smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000129050728 529386778 /nfs/dbraw/zinc/38/67/78/529386778.db2.gz ZSCWXYBGSDRDGS-GOSISDBHSA-N 1 0 335.423 1.811 20 10 EDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269231976 249378585 /nfs/dbraw/zinc/37/85/85/249378585.db2.gz INFSOXAYRKKZKG-NWDGAFQWSA-N 1 0 343.221 1.226 20 10 EDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372489779 250221340 /nfs/dbraw/zinc/22/13/40/250221340.db2.gz HYLCIZQBWUSXRW-DYVFJYSZSA-N 1 0 328.460 1.961 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1 ZINC000373874298 250246619 /nfs/dbraw/zinc/24/66/19/250246619.db2.gz ZNOJGJZTKHWINJ-HNNXBMFYSA-N 1 0 328.420 1.280 20 10 EDCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000051688416 441420897 /nfs/dbraw/zinc/42/08/97/441420897.db2.gz ZWSVQTXDKGAOEU-UHFFFAOYSA-N 1 0 335.423 1.763 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCCN3C(=O)CNC3=O)CC2)cc1 ZINC000066422916 441530712 /nfs/dbraw/zinc/53/07/12/441530712.db2.gz HFBHJUVYDNCKEV-UHFFFAOYSA-N 1 0 346.431 1.149 20 10 EDCDRO COc1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000092071830 441771201 /nfs/dbraw/zinc/77/12/01/441771201.db2.gz YUWFMAVVCLWIFR-ZDUSSCGKSA-N 1 0 326.418 1.057 20 10 EDCDRO Cc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000122274027 441842730 /nfs/dbraw/zinc/84/27/30/441842730.db2.gz LIHHRGKRJXDZAZ-UHFFFAOYSA-N 1 0 326.443 1.830 20 10 EDCDRO Cc1ccc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(O)c1O ZINC000177676590 442369599 /nfs/dbraw/zinc/36/95/99/442369599.db2.gz SWUQIQMYHUWLFD-CYBMUJFWSA-N 1 0 334.416 1.732 20 10 EDCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000179719043 442494565 /nfs/dbraw/zinc/49/45/65/442494565.db2.gz PFVAEGOMZFCSDF-OAHLLOKOSA-N 1 0 326.462 1.994 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC[C@H]1CC[NH2+]C1 ZINC000178957115 442538707 /nfs/dbraw/zinc/53/87/07/442538707.db2.gz URBIRLZVOUXEFC-ZNNBYXKUSA-N 1 0 329.444 1.652 20 10 EDCDRO C[C@@H]([NH2+]CCCOCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000180236373 442564069 /nfs/dbraw/zinc/56/40/69/442564069.db2.gz JKECBBJKDYOZKP-CQSZACIVSA-N 1 0 326.412 1.712 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(F)F)CC2)cc1 ZINC000193931095 442814780 /nfs/dbraw/zinc/81/47/80/442814780.db2.gz DKSWUBRWGIRIIF-UHFFFAOYSA-N 1 0 327.375 1.589 20 10 EDCDRO CC[C@@H](C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000268887360 443137246 /nfs/dbraw/zinc/13/72/46/443137246.db2.gz ZEOXDTYZGWVDTO-SFHVURJKSA-N 1 0 348.491 1.274 20 10 EDCDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000268776844 443105108 /nfs/dbraw/zinc/10/51/08/443105108.db2.gz WDNCMHWFYFWBJH-GJZGRUSLSA-N 1 0 338.473 1.609 20 10 EDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000236951779 443152644 /nfs/dbraw/zinc/15/26/44/443152644.db2.gz AMDKMFZUPFGELV-PXAZEXFGSA-N 1 0 337.439 1.776 20 10 EDCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000278736401 443419536 /nfs/dbraw/zinc/41/95/36/443419536.db2.gz QZFWGDYHGPXOQD-JKSUJKDBSA-N 1 0 340.439 1.738 20 10 EDCDRO COCCn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000271052237 443488732 /nfs/dbraw/zinc/48/87/32/443488732.db2.gz WVHGTFFTFAFORT-UHFFFAOYSA-N 1 0 344.459 1.998 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000271698837 443510028 /nfs/dbraw/zinc/51/00/28/443510028.db2.gz CEMIENQWXOIBAT-UHFFFAOYSA-N 1 0 328.434 1.257 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1 ZINC000271815353 443514527 /nfs/dbraw/zinc/51/45/27/443514527.db2.gz MNZWLIYPCXZJPJ-UHFFFAOYSA-N 1 0 341.411 1.822 20 10 EDCDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000271186224 443494959 /nfs/dbraw/zinc/49/49/59/443494959.db2.gz NGXJVIBWSYGVBQ-HNNXBMFYSA-N 1 0 337.851 1.784 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1C ZINC000273542084 443579220 /nfs/dbraw/zinc/57/92/20/443579220.db2.gz YLDILGQWASDIOG-KBPBESRZSA-N 1 0 326.462 1.941 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000273574614 443580712 /nfs/dbraw/zinc/58/07/12/443580712.db2.gz LKJVGMJZVYGETA-CQSZACIVSA-N 1 0 349.475 1.855 20 10 EDCDRO COCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]CC1 ZINC000279962167 443650834 /nfs/dbraw/zinc/65/08/34/443650834.db2.gz VSKFBNSAABLJQT-UHFFFAOYSA-N 1 0 331.460 1.919 20 10 EDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284846708 443789899 /nfs/dbraw/zinc/78/98/99/443789899.db2.gz ODBGPIUSMHKTEH-CXAGYDPISA-N 1 0 330.388 1.196 20 10 EDCDRO COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000364588745 445934388 /nfs/dbraw/zinc/93/43/88/445934388.db2.gz LTMAIKLRMVUWAA-UFGOTCBOSA-N 1 0 335.360 1.395 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)c1O ZINC000364677196 445945267 /nfs/dbraw/zinc/94/52/67/445945267.db2.gz YWTHXGCPMJEKGZ-ZDUSSCGKSA-N 1 0 345.403 1.318 20 10 EDCDRO C[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366320443 446147867 /nfs/dbraw/zinc/14/78/67/446147867.db2.gz DOSPJUSJOZLLLD-WDEREUQCSA-N 1 0 331.338 1.875 20 10 EDCDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000370542921 446325422 /nfs/dbraw/zinc/32/54/22/446325422.db2.gz DNOGABXRWMCWIB-SFHVURJKSA-N 1 0 332.444 1.996 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1OC ZINC000376386611 446467180 /nfs/dbraw/zinc/46/71/80/446467180.db2.gz OGMYYKFUHXUNPQ-GOSISDBHSA-N 1 0 334.416 1.854 20 10 EDCDRO CCN1CCO[C@@H](CN2CC[NH+](Cc3cc(C)ccc3O)CC2)C1 ZINC000371378851 446818907 /nfs/dbraw/zinc/81/89/07/446818907.db2.gz KVQVHWICLTTXKA-GOSISDBHSA-N 1 0 333.476 1.539 20 10 EDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)nn1 ZINC000372034806 446983437 /nfs/dbraw/zinc/98/34/37/446983437.db2.gz YGLSOBPQPGCCNQ-CQSZACIVSA-N 1 0 330.388 1.916 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000375821783 447080558 /nfs/dbraw/zinc/08/05/58/447080558.db2.gz BXXGJHVYELMPDE-OAHLLOKOSA-N 1 0 333.432 1.112 20 10 EDCDRO CN1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc21 ZINC000592958449 449081882 /nfs/dbraw/zinc/08/18/82/449081882.db2.gz XDYBXBYMRVHTLZ-CYBMUJFWSA-N 1 0 325.416 1.816 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCO3)CC2)cc1 ZINC000041980948 524423793 /nfs/dbraw/zinc/42/37/93/524423793.db2.gz SHXQVTLTEHWTEM-GOSISDBHSA-N 1 0 347.459 1.503 20 10 EDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000093531474 528299826 /nfs/dbraw/zinc/29/98/26/528299826.db2.gz RSGQBLOQWAGVFB-OAHLLOKOSA-N 1 0 325.478 1.656 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC3(CCC3)C1)cc2=O ZINC000123315721 528317226 /nfs/dbraw/zinc/31/72/26/528317226.db2.gz REDRWWIIXVXSNA-UHFFFAOYSA-N 1 0 330.388 1.988 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000727471882 578529549 /nfs/dbraw/zinc/52/95/49/578529549.db2.gz POYUZLVDWNJGIW-SJORKVTESA-N 1 0 332.448 1.415 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000729542815 578581673 /nfs/dbraw/zinc/58/16/73/578581673.db2.gz WQVAVXQHRBTLFX-GOSISDBHSA-N 1 0 333.476 1.948 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000729542816 578581743 /nfs/dbraw/zinc/58/17/43/578581743.db2.gz WQVAVXQHRBTLFX-SFHVURJKSA-N 1 0 333.476 1.948 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1C ZINC000748098601 579669512 /nfs/dbraw/zinc/66/95/12/579669512.db2.gz ITIIKOAENLSZMF-KSSFIOAISA-N 1 0 331.416 1.814 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000749972091 579746361 /nfs/dbraw/zinc/74/63/61/579746361.db2.gz OUVXHKWFPDPXDV-CYBMUJFWSA-N 1 0 335.429 1.454 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000754052175 579895008 /nfs/dbraw/zinc/89/50/08/579895008.db2.gz XMBYASDSPZRZIY-AOIWGVFYSA-N 1 0 347.503 1.908 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)c2cnn(C)c2)cc1 ZINC000754870097 579914835 /nfs/dbraw/zinc/91/48/35/579914835.db2.gz GAEYYTJSOCXWQC-UHFFFAOYSA-N 1 0 329.448 1.627 20 10 EDCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Br)cc1O ZINC000762787443 580083185 /nfs/dbraw/zinc/08/31/85/580083185.db2.gz MNRMFESAJOQIBC-IINYFYTJSA-N 1 0 329.238 1.872 20 10 EDCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)nn1 ZINC000762795297 580083660 /nfs/dbraw/zinc/08/36/60/580083660.db2.gz SWYDUJWBLFUIFN-LBPRGKRZSA-N 1 0 346.387 1.616 20 10 EDCDRO C[NH+](C)CCCNC(=O)NCc1cccc(Br)c1O ZINC000765445483 580142635 /nfs/dbraw/zinc/14/26/35/580142635.db2.gz KFGPDVXQMPIWPS-UHFFFAOYSA-N 1 0 330.226 1.906 20 10 EDCDRO CCOC(=O)CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC1 ZINC000768438887 580212671 /nfs/dbraw/zinc/21/26/71/580212671.db2.gz AAJJNUJOAYNGFR-MRXNPFEDSA-N 1 0 335.400 1.983 20 10 EDCDRO CC(C)CNC(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440876 580212772 /nfs/dbraw/zinc/21/27/72/580212772.db2.gz HEYFZZWHLSSKMU-KRWDZBQOSA-N 1 0 348.443 1.802 20 10 EDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773369175 580335506 /nfs/dbraw/zinc/33/55/06/580335506.db2.gz BMKYZBZROCAZDI-HZPDHXFCSA-N 1 0 347.507 1.749 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 ZINC000775369790 580389391 /nfs/dbraw/zinc/38/93/91/580389391.db2.gz QWONHPMBSGKMIN-NWDGAFQWSA-N 1 0 349.431 1.177 20 10 EDCDRO CN(C)C(=O)N1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775652840 580396409 /nfs/dbraw/zinc/39/64/09/580396409.db2.gz VZAMEPHQIHAOET-UHFFFAOYSA-N 1 0 345.491 1.238 20 10 EDCDRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000775834143 580402165 /nfs/dbraw/zinc/40/21/65/580402165.db2.gz PWZBTIALCFEUPA-ZDUSSCGKSA-N 1 0 331.420 1.410 20 10 EDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000776867698 580430230 /nfs/dbraw/zinc/43/02/30/580430230.db2.gz DZPUZZNFJFGSMZ-ISTRZQFTSA-N 1 0 325.405 1.872 20 10 EDCDRO COC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000781417300 580548993 /nfs/dbraw/zinc/54/89/93/580548993.db2.gz XVGONVPUHZLLMZ-LLVKDONJSA-N 1 0 334.210 1.914 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](O)C(C)(C)C1)cc2=O ZINC000782577363 580578223 /nfs/dbraw/zinc/57/82/23/580578223.db2.gz BARLKVHESJSPBL-ZDUSSCGKSA-N 1 0 348.403 1.204 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783742318 580605080 /nfs/dbraw/zinc/60/50/80/580605080.db2.gz OAGWXXFSCNSVHH-IINYFYTJSA-N 1 0 328.206 1.978 20 10 EDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000791007490 580782869 /nfs/dbraw/zinc/78/28/69/580782869.db2.gz XIZDOQMGWYMBHV-CYBMUJFWSA-N 1 0 348.237 1.658 20 10 EDCDRO COCC[NH+]1CCC(NC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000792920855 580830937 /nfs/dbraw/zinc/83/09/37/580830937.db2.gz DVEFGPSTCNMKRU-UHFFFAOYSA-N 1 0 337.420 1.311 20 10 EDCDRO CCOCc1cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)ccc1OC ZINC000800891523 581061046 /nfs/dbraw/zinc/06/10/46/581061046.db2.gz LYNGJNGOBUAVMQ-UHFFFAOYSA-N 1 0 342.461 1.402 20 10 EDCDRO Cc1nc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000893218537 590717803 /nfs/dbraw/zinc/71/78/03/590717803.db2.gz FKAVKOLTUVSEFY-OAHLLOKOSA-N 1 0 346.435 1.546 20 10 EDCDRO CC[NH2+]CCNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000891996941 590735644 /nfs/dbraw/zinc/73/56/44/590735644.db2.gz MRSHVJXVEYGROO-UHFFFAOYSA-N 1 0 336.436 1.145 20 10 EDCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892100989 590799840 /nfs/dbraw/zinc/79/98/40/590799840.db2.gz KPRRZRIPCOKEPD-GFCCVEGCSA-N 1 0 341.429 1.890 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000892193110 590857833 /nfs/dbraw/zinc/85/78/33/590857833.db2.gz MGFKCPSFSFFVIF-OAGGEKHMSA-N 1 0 344.459 1.667 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc3n2CCC3)[NH+](C)C)cc1 ZINC000891245528 591014836 /nfs/dbraw/zinc/01/48/36/591014836.db2.gz GAJIDQLIJIZCDZ-MRXNPFEDSA-N 1 0 341.459 1.928 20 10 EDCDRO C=CC(=O)N(CC)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249306 591018003 /nfs/dbraw/zinc/01/80/03/591018003.db2.gz QORQJNFENAQJMM-KRWDZBQOSA-N 1 0 346.475 1.506 20 10 EDCDRO CC[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)OC ZINC000891250047 591018770 /nfs/dbraw/zinc/01/87/70/591018770.db2.gz YLUSLQNFJPOFPS-JKSUJKDBSA-N 1 0 335.448 1.671 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)COC[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000891251920 591020378 /nfs/dbraw/zinc/02/03/78/591020378.db2.gz IBVMQYZTAAHKNZ-ROUUACIJSA-N 1 0 349.475 1.667 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)COC2CCOCC2)[NH+](C)C)cc1 ZINC000891253117 591020876 /nfs/dbraw/zinc/02/08/76/591020876.db2.gz QUEGNTMMGLYSNR-GOSISDBHSA-N 1 0 349.475 1.667 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C(N)=O)CCC2)[NH+](C)C)cc1 ZINC000891253105 591021261 /nfs/dbraw/zinc/02/12/61/591021261.db2.gz QODFIDRSDQLVKI-OAHLLOKOSA-N 1 0 332.448 1.127 20 10 EDCDRO CCOC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891258593 591023068 /nfs/dbraw/zinc/02/30/68/591023068.db2.gz VUDPRGMGEHVNLA-BRWVUGGUSA-N 1 0 347.459 1.671 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2ccn(C)n2)[NH+](C)C)cc1 ZINC000893928524 591140941 /nfs/dbraw/zinc/14/09/41/591140941.db2.gz LRJQRJFXJQEDJY-QGZVFWFLSA-N 1 0 344.463 1.588 20 10 EDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC000892944267 591234467 /nfs/dbraw/zinc/23/44/67/591234467.db2.gz OFDXAUXDQNPJCE-ZDUSSCGKSA-N 1 0 341.839 1.956 20 10 EDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895687853 591249256 /nfs/dbraw/zinc/24/92/56/591249256.db2.gz CTRGIUGMPMCMHG-QGZVFWFLSA-N 1 0 337.439 1.418 20 10 EDCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)N(C)C)cc1 ZINC000898449870 591353348 /nfs/dbraw/zinc/35/33/48/591353348.db2.gz KQULUTXRFDSMOV-RDJZCZTQSA-N 1 0 339.505 1.522 20 10 EDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450088 591353463 /nfs/dbraw/zinc/35/34/63/591353463.db2.gz MZFUJPHVVSPVDF-WMLDXEAASA-N 1 0 341.521 1.768 20 10 EDCDRO COc1cc(O)c(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1OC ZINC000896629075 591558151 /nfs/dbraw/zinc/55/81/51/591558151.db2.gz ACLWLFAPRSKNDD-UHFFFAOYSA-N 1 0 337.416 1.821 20 10 EDCDRO COC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)C[C@H](C)O1 ZINC000895160393 591627080 /nfs/dbraw/zinc/62/70/80/591627080.db2.gz HNBAGOGTAWBPMI-GWCFXTLKSA-N 1 0 325.361 1.172 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H](O)C2CC2)[NH+](C)C)cc1 ZINC000899095431 591676801 /nfs/dbraw/zinc/67/68/01/591676801.db2.gz KJVMUZHQRDGHMZ-QZTJIDSGSA-N 1 0 348.491 1.816 20 10 EDCDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101801 591682403 /nfs/dbraw/zinc/68/24/03/591682403.db2.gz MNSLFANLTONRDB-IRXDYDNUSA-N 1 0 336.480 1.816 20 10 EDCDRO CC[C@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101799 591682819 /nfs/dbraw/zinc/68/28/19/591682819.db2.gz MNSLFANLTONRDB-DLBZAZTESA-N 1 0 336.480 1.816 20 10 EDCDRO C[C@@H](CCO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098013 591687232 /nfs/dbraw/zinc/68/72/32/591687232.db2.gz KLBATPGSPNEEIJ-WMLDXEAASA-N 1 0 336.480 1.768 20 10 EDCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(CO)CC1 ZINC000899098448 591688419 /nfs/dbraw/zinc/68/84/19/591688419.db2.gz OMXVXJWVNQSANX-WMLDXEAASA-N 1 0 348.491 1.816 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]2CCO)[NH+](C)C)cc1 ZINC000899099299 591688709 /nfs/dbraw/zinc/68/87/09/591688709.db2.gz YMRWQZICLXFKDF-MSOLQXFVSA-N 1 0 348.491 1.912 20 10 EDCDRO COc1cc(O)c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1OC ZINC000895345136 591722663 /nfs/dbraw/zinc/72/26/63/591722663.db2.gz XVUCFCOBMFFNHD-AWEZNQCLSA-N 1 0 349.431 1.789 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000895393458 591742164 /nfs/dbraw/zinc/74/21/64/591742164.db2.gz KHVDGAWUASSBPB-ZIAGYGMSSA-N 1 0 342.461 1.659 20 10 EDCDRO CC[NH+](CC)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473783 591817130 /nfs/dbraw/zinc/81/71/30/591817130.db2.gz YIZJYEDEUIAWLG-UHFFFAOYSA-N 1 0 346.475 1.346 20 10 EDCDRO COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000901796375 591837971 /nfs/dbraw/zinc/83/79/71/591837971.db2.gz VJNPYDVQBKPWLQ-GOSISDBHSA-N 1 0 335.448 1.408 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000898350473 591882778 /nfs/dbraw/zinc/88/27/78/591882778.db2.gz IUBMCMAJEORFBZ-FZMZJTMJSA-N 1 0 342.823 1.893 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)cc1 ZINC000900294900 591977928 /nfs/dbraw/zinc/97/79/28/591977928.db2.gz NWTKYBPECQNWQT-LPHOPBHVSA-N 1 0 347.459 1.189 20 10 EDCDRO CC1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCOCC3)cc2)CC1 ZINC000905102085 592406225 /nfs/dbraw/zinc/40/62/25/592406225.db2.gz QBBKFLPEGYVIQS-IBGZPJMESA-N 1 0 348.487 1.915 20 10 EDCDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1(O)CCC1 ZINC000905284495 592492185 /nfs/dbraw/zinc/49/21/85/592492185.db2.gz LSEVZLDVPCSVDK-HNNXBMFYSA-N 1 0 342.386 1.167 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000910558318 592877613 /nfs/dbraw/zinc/87/76/13/592877613.db2.gz OPVOLMPBOKSGQY-INIZCTEOSA-N 1 0 346.519 1.602 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c3c(nn2C)CCC3)cc1 ZINC000911667335 592973972 /nfs/dbraw/zinc/97/39/72/592973972.db2.gz QBILFCIEJFLNGD-OAHLLOKOSA-N 1 0 327.432 1.405 20 10 EDCDRO C[C@@H]([NH3+])C1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCOCC1 ZINC000911668191 592974336 /nfs/dbraw/zinc/97/43/36/592974336.db2.gz VXQIRYJROWJZFT-CZUORRHYSA-N 1 0 334.464 1.013 20 10 EDCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911262087 592978504 /nfs/dbraw/zinc/97/85/04/592978504.db2.gz OGDKHRXUKPDMRH-GOSISDBHSA-N 1 0 329.400 1.403 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc(F)n3)CC1)[C@@H](O)CO2 ZINC000840122074 593209586 /nfs/dbraw/zinc/20/95/86/593209586.db2.gz FZUQQLUCGRYBTR-HNNXBMFYSA-N 1 0 345.374 1.674 20 10 EDCDRO CCN(CC)c1ccc(C[N@H+](C)CCN2C(=O)N[C@H](C)C2=O)cc1 ZINC000838785151 593216898 /nfs/dbraw/zinc/21/68/98/593216898.db2.gz CIMKUUHMECSFQJ-CQSZACIVSA-N 1 0 332.448 1.905 20 10 EDCDRO COCC(COC)[NH+]1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000839623771 593353516 /nfs/dbraw/zinc/35/35/16/593353516.db2.gz TUWZYPWGSGTNRK-UHFFFAOYSA-N 1 0 335.492 1.840 20 10 EDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000809705154 593356412 /nfs/dbraw/zinc/35/64/12/593356412.db2.gz OWNKUBPSIOOPLU-DIFFPNOSSA-N 1 0 333.388 1.353 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](CO)[C@@H]1C)cc2=O ZINC000839672911 593367607 /nfs/dbraw/zinc/36/76/07/593367607.db2.gz IOJRDUXJFHKKAX-NWDGAFQWSA-N 1 0 348.403 1.204 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)CC[C@H]3C)CC2)cc1 ZINC000817286660 593588921 /nfs/dbraw/zinc/58/89/21/593588921.db2.gz XDXFHMIGMPJJEX-WBVHZDCISA-N 1 0 347.459 1.189 20 10 EDCDRO Fc1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)ccc1N1CCOCC1 ZINC000817418901 593603819 /nfs/dbraw/zinc/60/38/19/593603819.db2.gz KNJYTYSZXHFQGD-CQSZACIVSA-N 1 0 346.410 1.144 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000815163881 593618764 /nfs/dbraw/zinc/61/87/64/593618764.db2.gz RWTGYYKLLOINNH-NUJGCVRESA-N 1 0 333.476 1.518 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C[NH3+])C[C@H]3C)C2)cc1 ZINC000818655111 593710443 /nfs/dbraw/zinc/71/04/43/593710443.db2.gz IWEYTCKRCFNENM-BZUAXINKSA-N 1 0 346.475 1.900 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000818656776 593710622 /nfs/dbraw/zinc/71/06/22/593710622.db2.gz YMYAKWAHPWASQG-VZEFYGNVSA-N 1 0 330.432 1.039 20 10 EDCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968250 593731133 /nfs/dbraw/zinc/73/11/33/593731133.db2.gz OZOLADUBZNEXNI-HOCLYGCPSA-N 1 0 337.489 1.202 20 10 EDCDRO COC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120428 593739946 /nfs/dbraw/zinc/73/99/46/593739946.db2.gz PRSJTBVLINDPOZ-GXTWGEPZSA-N 1 0 330.375 1.854 20 10 EDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615588 593881927 /nfs/dbraw/zinc/88/19/27/593881927.db2.gz DMXULZYUULRZJV-MRXNPFEDSA-N 1 0 325.372 1.738 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000825602612 594205585 /nfs/dbraw/zinc/20/55/85/594205585.db2.gz LGEBSWFGLDYSCI-UHFFFAOYSA-N 1 0 346.475 1.759 20 10 EDCDRO C[NH+](C)CC(C)(C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823523630 594213819 /nfs/dbraw/zinc/21/38/19/594213819.db2.gz HOHJBZVDZUMHKF-UHFFFAOYSA-N 1 0 348.491 1.787 20 10 EDCDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000827726340 594265947 /nfs/dbraw/zinc/26/59/47/594265947.db2.gz XDSSDAZRHVKOSH-RISCZKNCSA-N 1 0 327.375 1.683 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000826967167 594612869 /nfs/dbraw/zinc/61/28/69/594612869.db2.gz GMDSPHNYSCPYTJ-WCQYABFASA-N 1 0 344.205 1.883 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000832279597 594739911 /nfs/dbraw/zinc/73/99/11/594739911.db2.gz KKBRAUIVCDNENA-OAHLLOKOSA-N 1 0 346.391 1.064 20 10 EDCDRO CCCNC(=O)CCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832285168 594740422 /nfs/dbraw/zinc/74/04/22/594740422.db2.gz PCJRTJWKKWTITE-INIZCTEOSA-N 1 0 334.464 1.565 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC[NH3+])cc2F)C[C@H](C)O1 ZINC000841712062 594941767 /nfs/dbraw/zinc/94/17/67/594941767.db2.gz KUQMXQYXLGZCHQ-BETUJISGSA-N 1 0 338.427 1.539 20 10 EDCDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841715873 594942464 /nfs/dbraw/zinc/94/24/64/594942464.db2.gz FHMCWYNUEGTCAM-LSDHHAIUSA-N 1 0 334.464 1.349 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000841825218 594958578 /nfs/dbraw/zinc/95/85/78/594958578.db2.gz ZFEOPPMOCOZHCL-GOSISDBHSA-N 1 0 345.491 1.250 20 10 EDCDRO [NH3+]CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843401 594962960 /nfs/dbraw/zinc/96/29/60/594962960.db2.gz HHSAXRJVBTZURK-GFCCVEGCSA-N 1 0 342.390 1.905 20 10 EDCDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCc1ccc(N)cc1 ZINC000841953794 594988778 /nfs/dbraw/zinc/98/87/78/594988778.db2.gz CXQDZALGIJTDPJ-QGZVFWFLSA-N 1 0 334.464 1.564 20 10 EDCDRO C[NH+](C)CCCOC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841957157 594989274 /nfs/dbraw/zinc/98/92/74/594989274.db2.gz FVWAWQMCJMOUEW-UHFFFAOYSA-N 1 0 348.491 1.954 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841975444 594993269 /nfs/dbraw/zinc/99/32/69/594993269.db2.gz GEXHUYZWTFZIFX-CRAIPNDOSA-N 1 0 346.475 1.663 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841981421 594994911 /nfs/dbraw/zinc/99/49/11/594994911.db2.gz BOCZEZWMIRZSTQ-IAGOWNOFSA-N 1 0 346.475 1.935 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC(=O)OC)cc1 ZINC000842166182 595027392 /nfs/dbraw/zinc/02/73/92/595027392.db2.gz JIBSBDCFEANNNH-INIZCTEOSA-N 1 0 333.432 1.396 20 10 EDCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842202944 595037015 /nfs/dbraw/zinc/03/70/15/595037015.db2.gz MXSKCRDSXOLSSM-UKRRQHHQSA-N 1 0 334.464 1.419 20 10 EDCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842203685 595037603 /nfs/dbraw/zinc/03/76/03/595037603.db2.gz WETWELRQAZNSGR-PBHICJAKSA-N 1 0 348.491 1.762 20 10 EDCDRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203724 595037774 /nfs/dbraw/zinc/03/77/74/595037774.db2.gz WXHSDVBSLNUBTD-AWEZNQCLSA-N 1 0 334.464 1.434 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000842227067 595045096 /nfs/dbraw/zinc/04/50/96/595045096.db2.gz XNCZOFPCNUHECI-KRWDZBQOSA-N 1 0 346.475 1.345 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000842264913 595059970 /nfs/dbraw/zinc/05/99/70/595059970.db2.gz FMMJPORTWZGIDJ-HOCLYGCPSA-N 1 0 347.459 1.635 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842274286 595062924 /nfs/dbraw/zinc/06/29/24/595062924.db2.gz KISJVICSBMVBMC-HZPDHXFCSA-N 1 0 346.475 1.345 20 10 EDCDRO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349914 595082870 /nfs/dbraw/zinc/08/28/70/595082870.db2.gz MJHXGGRTWGSLCO-ZDUSSCGKSA-N 1 0 344.459 1.010 20 10 EDCDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846106086 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CC[NH+]1CCN(CC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000846447662 595235820 /nfs/dbraw/zinc/23/58/20/595235820.db2.gz UQLVPSMCPJCNQK-UHFFFAOYSA-N 1 0 348.491 1.227 20 10 EDCDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834909501 595238044 /nfs/dbraw/zinc/23/80/44/595238044.db2.gz SAWDCSXZPSOBSU-SCLBCKFNSA-N 1 0 335.423 1.982 20 10 EDCDRO COc1c(O)c(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)ccc1[N+](=O)[O-] ZINC000835073564 595257322 /nfs/dbraw/zinc/25/73/22/595257322.db2.gz NJYNENGIHDVSJI-NEPJUHHUSA-N 1 0 335.360 1.552 20 10 EDCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000843065169 595278703 /nfs/dbraw/zinc/27/87/03/595278703.db2.gz JYMLBVKOGWABHD-HNNXBMFYSA-N 1 0 334.420 1.745 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CC2)cc1F ZINC000844190768 595297818 /nfs/dbraw/zinc/29/78/18/595297818.db2.gz NUXMWYGFCOUKHL-CJNGLKHVSA-N 1 0 335.423 1.871 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000844217434 595304697 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O=C(CN1CC[NH+](Cc2ccccc2O)CC1)NCc1ccccc1 ZINC000179555355 698246034 /nfs/dbraw/zinc/24/60/34/698246034.db2.gz PJEQHKBZYYEIRN-UHFFFAOYSA-N 1 0 339.439 1.826 20 10 EDCDRO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000237635072 698252703 /nfs/dbraw/zinc/25/27/03/698252703.db2.gz IAJXCQVXCKCWML-ZBFHGGJFSA-N 1 0 349.500 1.796 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)OC)CC2)cc1 ZINC000055046215 706808688 /nfs/dbraw/zinc/80/86/88/706808688.db2.gz YGYCAOPZBMRJAH-HNNXBMFYSA-N 1 0 335.448 1.358 20 10 EDCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3cncn3)C2)cc1C ZINC000999797410 707368840 /nfs/dbraw/zinc/36/88/40/707368840.db2.gz XJRLMLSKEJASNN-UHFFFAOYSA-N 1 0 343.431 1.374 20 10 EDCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2=O)cn1 ZINC000921751920 707976062 /nfs/dbraw/zinc/97/60/62/707976062.db2.gz BFTBHPJKKPWZHE-INIZCTEOSA-N 1 0 326.400 1.640 20 10 EDCDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000921813103 708081369 /nfs/dbraw/zinc/08/13/69/708081369.db2.gz BLEKYFUEKMCAEZ-HNAYVOBHSA-N 1 0 343.427 1.822 20 10 EDCDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000921813101 708081416 /nfs/dbraw/zinc/08/14/16/708081416.db2.gz BLEKYFUEKMCAEZ-DNVCBOLYSA-N 1 0 343.427 1.822 20 10 EDCDRO Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1C ZINC000093821071 237023014 /nfs/dbraw/zinc/02/30/14/237023014.db2.gz LBSPGNBKDWMTNA-QGZVFWFLSA-N 1 0 331.460 1.747 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CC(C)(C)O)cc2=O ZINC000265064628 249344726 /nfs/dbraw/zinc/34/47/26/249344726.db2.gz UFBOLQCRMQEXRN-UHFFFAOYSA-N 1 0 336.392 1.204 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2F)C[C@@H](C)O1 ZINC000269231696 249378114 /nfs/dbraw/zinc/37/81/14/249378114.db2.gz CXJWUTNNPIQLSL-UMVBOHGHSA-N 1 0 335.423 1.665 20 10 EDCDRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cccc(F)c3O)CC2)C1 ZINC000372811388 250226328 /nfs/dbraw/zinc/22/63/28/250226328.db2.gz FECDWBKBLNFUAF-CQSZACIVSA-N 1 0 342.436 1.272 20 10 EDCDRO 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COc1ccc(N2CCCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852862220 595583049 /nfs/dbraw/zinc/58/30/49/595583049.db2.gz WTAIPLCQIHYHNZ-SJORKVTESA-N 1 0 333.432 1.098 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852865333 595584957 /nfs/dbraw/zinc/58/49/57/595584957.db2.gz ZKRCOSAXVZEPPT-SJORKVTESA-N 1 0 333.432 1.144 20 10 EDCDRO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869239 595589409 /nfs/dbraw/zinc/58/94/09/595589409.db2.gz ZZORQGJGPCCFOX-HNNXBMFYSA-N 1 0 349.500 1.359 20 10 EDCDRO Oc1cccc(Br)c1CNC[C@H](O)C[NH+]1CCCC1 ZINC000858106765 595701797 /nfs/dbraw/zinc/70/17/97/595701797.db2.gz QYDLEIXOGLBWSH-NSHDSACASA-N 1 0 329.238 1.701 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000858499549 595811064 /nfs/dbraw/zinc/81/10/64/595811064.db2.gz JAGHXDGHQSVTNK-MRVWCRGKSA-N 1 0 342.461 1.912 20 10 EDCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(N(C)C)nc3)C2)cc1 ZINC000850346011 595814050 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Nc1ccc(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000861640364 596054119 /nfs/dbraw/zinc/05/41/19/596054119.db2.gz KIURWDDTDGPDGU-OCCSQVGLSA-N 1 0 344.381 1.980 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)C2)cc1 ZINC000861648617 596057054 /nfs/dbraw/zinc/05/70/54/596057054.db2.gz YJVMINXFGNXPKM-XHSDSOJGSA-N 1 0 346.475 1.961 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000852186399 596076804 /nfs/dbraw/zinc/07/68/04/596076804.db2.gz FFGAITZGGXQUHL-GJZGRUSLSA-N 1 0 344.459 1.810 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1F ZINC000861767288 596095481 /nfs/dbraw/zinc/09/54/81/596095481.db2.gz PACRLFFJMFTJTG-LBPRGKRZSA-N 1 0 338.427 1.094 20 10 EDCDRO C[C@H]1C[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)C1O ZINC000852501938 596184240 /nfs/dbraw/zinc/18/42/40/596184240.db2.gz YESFFYBBBVWLMI-GJZGRUSLSA-N 1 0 333.476 1.660 20 10 EDCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000862473638 596333345 /nfs/dbraw/zinc/33/33/45/596333345.db2.gz CTKYVHSFRRPTAF-GOSISDBHSA-N 1 0 334.416 1.287 20 10 EDCDRO C[C@H]1CCn2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)nc2C1 ZINC000870932453 596410517 /nfs/dbraw/zinc/41/05/17/596410517.db2.gz FQYDBOVNKROFNP-BBRMVZONSA-N 1 0 341.459 1.961 20 10 EDCDRO O=S(=O)(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000123941338 596801925 /nfs/dbraw/zinc/80/19/25/596801925.db2.gz DUAOIXRDRFGFIJ-UHFFFAOYSA-N 1 0 349.500 1.800 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC(C)(C)F)CC2)cc1 ZINC000872217120 596839862 /nfs/dbraw/zinc/83/98/62/596839862.db2.gz NQHHBEWBILMSCR-MRXNPFEDSA-N 1 0 339.455 1.516 20 10 EDCDRO C[N@@H+]1CCN(CCNC(=O)N2Cc3cccc(O)c3C2)CC1(C)C ZINC000875558962 596896915 /nfs/dbraw/zinc/89/69/15/596896915.db2.gz NDCKBHDCSBKQIM-UHFFFAOYSA-N 1 0 332.448 1.443 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1Cn1cccn1 ZINC000873010617 597159263 /nfs/dbraw/zinc/15/92/63/597159263.db2.gz NHOOCVAWPBIORM-INIZCTEOSA-N 1 0 328.416 1.698 20 10 EDCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCS(=O)(=O)CC3)C2)cc1 ZINC000873134171 597207277 /nfs/dbraw/zinc/20/72/77/597207277.db2.gz KTUYBDCQGPLAFF-LSDHHAIUSA-N 1 0 338.473 1.831 20 10 EDCDRO CC[C@@H]1COCCN1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000873189173 597222878 /nfs/dbraw/zinc/22/28/78/597222878.db2.gz PVKHHTSWRKCHBP-GOSISDBHSA-N 1 0 333.476 1.724 20 10 EDCDRO Cc1cc(NC(=O)CN2CC[NH+](Cc3c(C)cccc3O)CC2)no1 ZINC000876556927 597239483 /nfs/dbraw/zinc/23/94/83/597239483.db2.gz YIXWSEIUNJXIJI-UHFFFAOYSA-N 1 0 344.415 1.753 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC3C[NH2+]C3)cc2)C1 ZINC000876731668 597311084 /nfs/dbraw/zinc/31/10/84/597311084.db2.gz MSFUGCBPKCLXFH-MRXNPFEDSA-N 1 0 344.459 1.004 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)/C=C/[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000876959258 597396845 /nfs/dbraw/zinc/39/68/45/597396845.db2.gz HWPZWGSZWMLLPD-HSXPWJGJSA-N 1 0 329.444 1.946 20 10 EDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000876960511 597397120 /nfs/dbraw/zinc/39/71/20/597397120.db2.gz ZKPRBHDVVNFBER-JHALLHGUSA-N 1 0 329.444 1.802 20 10 EDCDRO C[C@H]1CN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877020989 597413381 /nfs/dbraw/zinc/41/33/81/597413381.db2.gz KNNRBBLALHDCBX-INIZCTEOSA-N 1 0 333.476 1.458 20 10 EDCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877111611 597435242 /nfs/dbraw/zinc/43/52/42/597435242.db2.gz JWLYPLMACRQNOO-KRWDZBQOSA-N 1 0 338.473 1.315 20 10 EDCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCN1C1CCC1 ZINC000877661738 597545874 /nfs/dbraw/zinc/54/58/74/597545874.db2.gz GEYAHFIQYWTBOY-IBGZPJMESA-N 1 0 343.471 1.891 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC(C)(C)O)CC2)cc1F ZINC000878182074 597584861 /nfs/dbraw/zinc/58/48/61/597584861.db2.gz YNYLBRJAHJXSIP-AWEZNQCLSA-N 1 0 326.412 1.478 20 10 EDCDRO C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)CC1 ZINC000882994181 597610498 /nfs/dbraw/zinc/61/04/98/597610498.db2.gz VOZYGHRMLWLTSJ-AWEZNQCLSA-N 1 0 325.403 1.929 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccnn1C ZINC000879684996 597685209 /nfs/dbraw/zinc/68/52/09/597685209.db2.gz RFAIPABMDFOOGO-CQSZACIVSA-N 1 0 329.448 1.795 20 10 EDCDRO C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1O ZINC000883371087 597725563 /nfs/dbraw/zinc/72/55/63/597725563.db2.gz YOSDZKRCIRXOQA-IRXDYDNUSA-N 1 0 333.476 1.839 20 10 EDCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cncnc1 ZINC000881854192 597756844 /nfs/dbraw/zinc/75/68/44/597756844.db2.gz WPCSCALQEBDRNS-OAHLLOKOSA-N 1 0 339.443 1.648 20 10 EDCDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000880426757 597929536 /nfs/dbraw/zinc/92/95/36/597929536.db2.gz WZRUBNMGZGMLQP-ROUUACIJSA-N 1 0 349.475 1.447 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000154085110 696685538 /nfs/dbraw/zinc/68/55/38/696685538.db2.gz QUENBUCUECPSGR-CYBMUJFWSA-N 1 0 328.434 1.305 20 10 EDCDRO C[N@H+](CCN1C(=O)CCC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000917020475 696878536 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CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922122577 709776288 /nfs/dbraw/zinc/77/62/88/709776288.db2.gz AQBTYAIRLWJMSR-MRXNPFEDSA-N 1 0 338.473 1.915 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)CC(N)=O)CC2)cc1 ZINC000102560428 237043020 /nfs/dbraw/zinc/04/30/20/237043020.db2.gz ZHERSOQGTSYRLE-HNNXBMFYSA-N 1 0 334.464 1.061 20 10 EDCDRO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC000366481819 250190725 /nfs/dbraw/zinc/19/07/25/250190725.db2.gz LQTHOYWKUVXVBK-IRXDYDNUSA-N 1 0 327.428 1.771 20 10 EDCDRO NS(=O)(=O)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000372404892 250218617 /nfs/dbraw/zinc/21/86/17/250218617.db2.gz QEUAGJFPMTYNPZ-UHFFFAOYSA-N 1 0 335.429 1.257 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c(O)c1C ZINC000370375116 250205677 /nfs/dbraw/zinc/20/56/77/250205677.db2.gz RPDIUYHVLWOMQV-ZDUSSCGKSA-N 1 0 330.436 1.852 20 10 EDCDRO C[NH2+]C1CCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000419711825 251533142 /nfs/dbraw/zinc/53/31/42/251533142.db2.gz SMIZJOFDAAVQBN-UHFFFAOYSA-N 1 0 342.443 1.313 20 10 EDCDRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000527949497 305860752 /nfs/dbraw/zinc/86/07/52/305860752.db2.gz LMGWHXMKDIBXKV-KXBFYZLASA-N 1 0 332.444 1.585 20 10 EDCDRO O=C([C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)N1CCCC1 ZINC000377859303 447380192 /nfs/dbraw/zinc/38/01/92/447380192.db2.gz GXZXTFUBCFNPNP-SFHVURJKSA-N 1 0 343.471 1.968 20 10 EDCDRO COc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1O ZINC000063201865 441317571 /nfs/dbraw/zinc/31/75/71/441317571.db2.gz GHAMIWPSPRWVOK-UHFFFAOYSA-N 1 0 336.413 1.381 20 10 EDCDRO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092188666 441777419 /nfs/dbraw/zinc/77/74/19/441777419.db2.gz WMHQEMNUJFRDFK-SFHVURJKSA-N 1 0 344.459 1.513 20 10 EDCDRO Cc1cc(NC(=O)CN2CC[NH+](Cc3cccc(C)c3O)CC2)no1 ZINC000179642678 442484174 /nfs/dbraw/zinc/48/41/74/442484174.db2.gz UJHHSUSSQVZAOV-UHFFFAOYSA-N 1 0 344.415 1.753 20 10 EDCDRO CN(C)c1noc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000191909624 442538522 /nfs/dbraw/zinc/53/85/22/442538522.db2.gz WZYQDWZHEJIKKT-UHFFFAOYSA-N 1 0 346.387 1.950 20 10 EDCDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CCO1 ZINC000180766325 442658034 /nfs/dbraw/zinc/65/80/34/442658034.db2.gz ROEQAOOJNSNYLJ-LYKUJDHUSA-N 1 0 346.427 1.823 20 10 EDCDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc(O)c1O ZINC000192992595 442704199 /nfs/dbraw/zinc/70/41/99/442704199.db2.gz XAACPACMVWFVOQ-UHFFFAOYSA-N 1 0 330.384 1.968 20 10 EDCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000265521418 442807756 /nfs/dbraw/zinc/80/77/56/442807756.db2.gz HYMZARUUBNNPGE-KRWDZBQOSA-N 1 0 346.475 1.807 20 10 EDCDRO Cc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c(O)c1O ZINC000182438974 442766844 /nfs/dbraw/zinc/76/68/44/442766844.db2.gz CLLAIDOAIBKBIN-UHFFFAOYSA-N 1 0 335.448 1.410 20 10 EDCDRO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000194932007 442970246 /nfs/dbraw/zinc/97/02/46/442970246.db2.gz LVXDPYXYIJKZSY-LLVKDONJSA-N 1 0 346.387 1.950 20 10 EDCDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000238076694 443194330 /nfs/dbraw/zinc/19/43/30/443194330.db2.gz GTHTVPVLHCLXAF-OTTBVJJXSA-N 1 0 329.444 1.780 20 10 EDCDRO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000263864159 443240541 /nfs/dbraw/zinc/24/05/41/443240541.db2.gz BAISZIARTLPYGC-MRXNPFEDSA-N 1 0 347.459 1.596 20 10 EDCDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000269260765 443256302 /nfs/dbraw/zinc/25/63/02/443256302.db2.gz VWYVHMPAJBIVCV-SJORKVTESA-N 1 0 331.460 1.639 20 10 EDCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000278758171 443427421 /nfs/dbraw/zinc/42/74/21/443427421.db2.gz SWSQRPCJVIBZKU-CZUORRHYSA-N 1 0 325.405 1.247 20 10 EDCDRO O=C(NCC[N@H+]1CC=CCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000279845730 443631176 /nfs/dbraw/zinc/63/11/76/443631176.db2.gz IAUXIXKDCATBLZ-UHFFFAOYSA-N 1 0 344.459 1.584 20 10 EDCDRO CCCOc1ccc(C[NH2+]CCn2cc(C(=O)OC)nn2)c(O)c1 ZINC000283840667 443738259 /nfs/dbraw/zinc/73/82/59/443738259.db2.gz FNSBONPAHLMODS-UHFFFAOYSA-N 1 0 334.376 1.349 20 10 EDCDRO CC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1O ZINC000280996614 443792430 /nfs/dbraw/zinc/79/24/30/443792430.db2.gz NIEVIEOLOQUKFW-IUODEOHRSA-N 1 0 328.416 1.991 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000292810216 443849038 /nfs/dbraw/zinc/84/90/38/443849038.db2.gz OPMPUKPIVGHLCE-ZDUSSCGKSA-N 1 0 329.441 1.357 20 10 EDCDRO CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccc(N(C)C)cc1 ZINC000277015283 443890221 /nfs/dbraw/zinc/89/02/21/443890221.db2.gz CLAFUCRUSYABOF-INIZCTEOSA-N 1 0 342.509 1.626 20 10 EDCDRO Cc1cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)ccc1N(C)C ZINC000293009413 443901459 /nfs/dbraw/zinc/90/14/59/443901459.db2.gz PPXZWCANXLQMOP-KRWDZBQOSA-N 1 0 329.448 1.982 20 10 EDCDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294049948 444100004 /nfs/dbraw/zinc/10/00/04/444100004.db2.gz JHPGEPBIMVLZIG-MSOLQXFVSA-N 1 0 336.476 1.907 20 10 EDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000289484835 444155850 /nfs/dbraw/zinc/15/58/50/444155850.db2.gz CEWALBFXZKCSBM-GOEBONIOSA-N 1 0 335.423 1.667 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000290014560 444231036 /nfs/dbraw/zinc/23/10/36/444231036.db2.gz QNGNZWDIMOFOJA-OALUTQOASA-N 1 0 345.487 1.900 20 10 EDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296603621 444242610 /nfs/dbraw/zinc/24/26/10/444242610.db2.gz YOARSOZOUSYFIZ-LBPRGKRZSA-N 1 0 335.423 1.544 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000363919490 445884644 /nfs/dbraw/zinc/88/46/44/445884644.db2.gz JWPNBZKQVNYWML-CYBMUJFWSA-N 1 0 346.387 1.616 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000363751392 445873780 /nfs/dbraw/zinc/87/37/80/445873780.db2.gz XJZIXTMOABHBCK-BEFAXECRSA-N 1 0 347.434 1.403 20 10 EDCDRO COCCN1CC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000370624979 446362460 /nfs/dbraw/zinc/36/24/60/446362460.db2.gz SLIULGPXHOJBCN-KRWDZBQOSA-N 1 0 333.476 1.974 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)cc1OC ZINC000367228771 446524847 /nfs/dbraw/zinc/52/48/47/446524847.db2.gz LNGDYLHYNYYDTO-AWEZNQCLSA-N 1 0 334.416 1.900 20 10 EDCDRO O=C1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]([C@H]2CCCO2)N1 ZINC000368080591 446627649 /nfs/dbraw/zinc/62/76/49/446627649.db2.gz FVLRRSLHVNYTFV-XTQGRXLLSA-N 1 0 334.372 1.037 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C2CCN(c3nnnn3C)CC2)cc1F ZINC000371679303 446946859 /nfs/dbraw/zinc/94/68/59/446946859.db2.gz LXZHGKZLJUMLFC-UHFFFAOYSA-N 1 0 333.415 1.174 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)COC1CCC([NH3+])CC1 ZINC000649347721 452030490 /nfs/dbraw/zinc/03/04/90/452030490.db2.gz UJQXFAQMAHHMQV-UHFFFAOYSA-N 1 0 333.432 1.765 20 10 EDCDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298351154 521315796 /nfs/dbraw/zinc/31/57/96/521315796.db2.gz BWOQVUHIIZPARQ-LJQANCHMSA-N 1 0 333.476 1.996 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)CN2CCCC2=O)C2CC2)cc1 ZINC000732408292 578710462 /nfs/dbraw/zinc/71/04/62/578710462.db2.gz GXBDFMMUPTVYDZ-GOSISDBHSA-N 1 0 331.460 1.700 20 10 EDCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)nn1 ZINC000760543129 580033332 /nfs/dbraw/zinc/03/33/32/580033332.db2.gz YBTGHYGMXLUHII-OAHLLOKOSA-N 1 0 342.399 1.706 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)C[C@H]1CCCO1)cc2=O ZINC000734151448 578799232 /nfs/dbraw/zinc/79/92/32/578799232.db2.gz ILRIHGOFTLNIFO-CYBMUJFWSA-N 1 0 348.403 1.613 20 10 EDCDRO C[N@H+](CCCN1CCOC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000749331128 579722015 /nfs/dbraw/zinc/72/20/15/579722015.db2.gz ISHBVVWPENPKCN-UHFFFAOYSA-N 1 0 333.432 1.797 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3C[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC000754048488 579894758 /nfs/dbraw/zinc/89/47/58/579894758.db2.gz GDCHFDVNUMHVLI-LNLFQRSKSA-N 1 0 347.503 1.766 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CCN3CCO[C@@H](C)C3)CC2)cc1 ZINC000765791206 580151444 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COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000779094130 580479083 /nfs/dbraw/zinc/47/90/83/580479083.db2.gz XASQQYPLXLXHMH-KRWDZBQOSA-N 1 0 346.402 1.995 20 10 EDCDRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c1O ZINC000780991759 580539710 /nfs/dbraw/zinc/53/97/10/580539710.db2.gz MKZGPDIWMBIQSX-VHDGCEQUSA-N 1 0 334.416 1.730 20 10 EDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000793593279 580848517 /nfs/dbraw/zinc/84/85/17/580848517.db2.gz XCGHVOQNVKWJRO-DLBZAZTESA-N 1 0 333.476 1.410 20 10 EDCDRO Cc1cnn(C)c1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000796303574 580950453 /nfs/dbraw/zinc/95/04/53/580950453.db2.gz CFHFVGSTEPJGOX-UHFFFAOYSA-N 1 0 348.472 1.253 20 10 EDCDRO COc1ccc(N2CC[NH+](CCNc3cc(=O)[nH]cn3)CC2)cc1 ZINC000892083814 590791209 /nfs/dbraw/zinc/79/12/09/590791209.db2.gz KGKCMDRWUWVHNN-UHFFFAOYSA-N 1 0 329.404 1.425 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn3c(n2)CCC3)[NH+](C)C)cc1 ZINC000891248558 591017268 /nfs/dbraw/zinc/01/72/68/591017268.db2.gz YQIRRZJFPPJKLL-QGZVFWFLSA-N 1 0 341.459 1.928 20 10 EDCDRO CCN1CCOC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249342 591018264 /nfs/dbraw/zinc/01/82/64/591018264.db2.gz REYHDLPDGKKYRF-MSOLQXFVSA-N 1 0 348.491 1.192 20 10 EDCDRO Cc1cc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891255448 591022349 /nfs/dbraw/zinc/02/23/49/591022349.db2.gz PLAWEFSJFNWSMH-INIZCTEOSA-N 1 0 346.431 1.847 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)c(OC)c1 ZINC000892564620 591074458 /nfs/dbraw/zinc/07/44/58/591074458.db2.gz AFMFMDAYFOSBRO-HDJSIYSDSA-N 1 0 348.447 1.273 20 10 EDCDRO COc1ccc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(O)c1OC ZINC000893877355 591126255 /nfs/dbraw/zinc/12/62/55/591126255.db2.gz HHSMYWQCVARQQZ-ZDUSSCGKSA-N 1 0 338.448 1.686 20 10 EDCDRO C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1O ZINC000892758646 591163936 /nfs/dbraw/zinc/16/39/36/591163936.db2.gz GJHGJPFUKUUSOO-UONOGXRCSA-N 1 0 333.432 1.911 20 10 EDCDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000895772510 591270789 /nfs/dbraw/zinc/27/07/89/591270789.db2.gz GFURYWSYHAMHBZ-QGZVFWFLSA-N 1 0 329.444 1.672 20 10 EDCDRO Cc1cc(Br)cc(C[NH2+]CCN2CCNC2=O)c1O ZINC000895813600 591279119 /nfs/dbraw/zinc/27/91/19/591279119.db2.gz HPELSDAPKRQQQS-UHFFFAOYSA-N 1 0 328.210 1.578 20 10 EDCDRO COC(=O)c1c(C[NH2+]C[C@]2(O)CCOC2)c2cc(F)ccc2n1C ZINC000894359784 591289187 /nfs/dbraw/zinc/28/91/87/591289187.db2.gz RJAZJYTWGSIELE-QGZVFWFLSA-N 1 0 336.363 1.345 20 10 EDCDRO COC(=O)c1nccc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897523667 591523849 /nfs/dbraw/zinc/52/38/49/591523849.db2.gz WYJACFNBJWKWGQ-OAHLLOKOSA-N 1 0 343.431 1.466 20 10 EDCDRO C[C@@H]1COC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896642157 591560775 /nfs/dbraw/zinc/56/07/75/591560775.db2.gz WRSSHPCEQQCTSZ-KBRIMQKVSA-N 1 0 334.464 1.689 20 10 EDCDRO O=C1OCCCN1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000897590840 591571826 /nfs/dbraw/zinc/57/18/26/591571826.db2.gz DQJNGKCWXAJWMW-UHFFFAOYSA-N 1 0 334.372 1.928 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)O ZINC000899097090 591677333 /nfs/dbraw/zinc/67/73/33/591677333.db2.gz ZUUNNHIYJSTBEZ-BBRMVZONSA-N 1 0 336.480 1.814 20 10 EDCDRO CC(C)[C@@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100599 591690021 /nfs/dbraw/zinc/69/00/21/591690021.db2.gz AWXSDMJTNLYHLE-SJORKVTESA-N 1 0 336.480 1.671 20 10 EDCDRO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(O)c1OC ZINC000895437463 591758024 /nfs/dbraw/zinc/75/80/24/591758024.db2.gz VRRFWHXPNQNPPA-ZDUSSCGKSA-N 1 0 337.420 1.597 20 10 EDCDRO COc1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(O)c1OC ZINC000895456207 591763267 /nfs/dbraw/zinc/76/32/67/591763267.db2.gz JWMKNSCRNQHRNL-HNNXBMFYSA-N 1 0 336.432 1.440 20 10 EDCDRO CCOc1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(O)c1 ZINC000898159261 591807784 /nfs/dbraw/zinc/80/77/84/591807784.db2.gz SKKBZXFQQZIGQU-ZDUSSCGKSA-N 1 0 330.388 1.655 20 10 EDCDRO Fc1cc(C[NH2+][C@H]2CCO[C@@]23CCOC3)ccc1N1CCOCC1 ZINC000903072527 592119593 /nfs/dbraw/zinc/11/95/93/592119593.db2.gz KGGZERPLGCEEGH-ZWKOTPCHSA-N 1 0 336.407 1.700 20 10 EDCDRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903225968 592137083 /nfs/dbraw/zinc/13/70/83/592137083.db2.gz KKLLCUGZPJXPRZ-NSHDSACASA-N 1 0 332.447 1.027 20 10 EDCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CCS(=O)(=O)C1 ZINC000903362309 592158382 /nfs/dbraw/zinc/15/83/82/592158382.db2.gz DFWGUEPGWKESOR-YGRLFVJLSA-N 1 0 333.837 1.900 20 10 EDCDRO CO[C@@]1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCS(=O)(=O)C1 ZINC000903363061 592159013 /nfs/dbraw/zinc/15/90/13/592159013.db2.gz LTXKYHQXGNPZHM-CZUORRHYSA-N 1 0 327.446 1.863 20 10 EDCDRO COc1ccc(O)c(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000901129162 592244336 /nfs/dbraw/zinc/24/43/36/592244336.db2.gz AESMQZRGISZTGS-UHFFFAOYSA-N 1 0 349.475 1.823 20 10 EDCDRO COc1cc(Br)cc(CN2CCC[C@]([NH3+])(CO)C2)c1O ZINC000904403018 592250623 /nfs/dbraw/zinc/25/06/23/592250623.db2.gz ZAYVFCIKNBGGFZ-CQSZACIVSA-N 1 0 345.237 1.449 20 10 EDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccnc2)[NH+](C)C)cc1 ZINC000908458218 592507747 /nfs/dbraw/zinc/50/77/47/592507747.db2.gz UIQZJIZNXWVQJE-QGZVFWFLSA-N 1 0 348.472 1.729 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=S)NCC(F)(F)F)cc2)CC1 ZINC000905528544 592562378 /nfs/dbraw/zinc/56/23/78/592562378.db2.gz DIUXWVWHQSCOIY-UHFFFAOYSA-N 1 0 346.422 1.965 20 10 EDCDRO O=C(NCc1ccc(O)cc1O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000910946718 592905506 /nfs/dbraw/zinc/90/55/06/592905506.db2.gz RYVWJYLYMCZGKP-CQSZACIVSA-N 1 0 336.457 1.932 20 10 EDCDRO CON1CCC(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000911666150 592973639 /nfs/dbraw/zinc/97/36/39/592973639.db2.gz HNBBPUSXUORKIS-KRWDZBQOSA-N 1 0 334.464 1.532 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000807100641 593144987 /nfs/dbraw/zinc/14/49/87/593144987.db2.gz MLEFIMBNHFMLSO-UHFFFAOYSA-N 1 0 348.491 1.476 20 10 EDCDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(N(C)C)cc1 ZINC000838558957 593187422 /nfs/dbraw/zinc/18/74/22/593187422.db2.gz IXLWTSQYUCKKBC-CRAIPNDOSA-N 1 0 348.491 1.960 20 10 EDCDRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000807671648 593189077 /nfs/dbraw/zinc/18/90/77/593189077.db2.gz RKUSRTLVBZUPGA-OAHLLOKOSA-N 1 0 346.475 1.484 20 10 EDCDRO OC[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839029745 593255551 /nfs/dbraw/zinc/25/55/51/593255551.db2.gz JONCIVGIGZHKGG-CYBMUJFWSA-N 1 0 343.265 1.882 20 10 EDCDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000103528767 593370117 /nfs/dbraw/zinc/37/01/17/593370117.db2.gz ADLHNYMTEVJCKA-AWEZNQCLSA-N 1 0 335.448 1.606 20 10 EDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000806438432 593445899 /nfs/dbraw/zinc/44/58/99/593445899.db2.gz DVTYMDYRLLNMOH-AWEZNQCLSA-N 1 0 336.505 1.989 20 10 EDCDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000817413493 593602991 /nfs/dbraw/zinc/60/29/91/593602991.db2.gz YGDVDYIDTCDHSL-JCNLHEQBSA-N 1 0 331.460 1.905 20 10 EDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)c(O)c1 ZINC000815591465 593643388 /nfs/dbraw/zinc/64/33/88/593643388.db2.gz IEDPYRSDCHZABG-AWEZNQCLSA-N 1 0 342.461 1.322 20 10 EDCDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817889335 593645580 /nfs/dbraw/zinc/64/55/80/593645580.db2.gz SPQVGRXNVCGYJG-IRXDYDNUSA-N 1 0 349.500 1.623 20 10 EDCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817892093 593646103 /nfs/dbraw/zinc/64/61/03/593646103.db2.gz QNDZIKVTGYHPOB-ZTFGCOKTSA-N 1 0 347.459 1.467 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000817950021 593651293 /nfs/dbraw/zinc/65/12/93/593651293.db2.gz QBZIILBDQNNVKJ-GOEBONIOSA-N 1 0 347.459 1.717 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000818656009 593710573 /nfs/dbraw/zinc/71/05/73/593710573.db2.gz UQJROTBJSGLVFQ-OAGGEKHMSA-N 1 0 344.459 1.382 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]CC3(O)CCCC3)CC2)cc1 ZINC000818982095 593732122 /nfs/dbraw/zinc/73/21/22/593732122.db2.gz FSOHNTVAUSUNHA-UHFFFAOYSA-N 1 0 333.476 1.712 20 10 EDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)CN(C)C3CC3)C2)cc1 ZINC000819378927 593752559 /nfs/dbraw/zinc/75/25/59/593752559.db2.gz AFHUNPVXUOSLPN-MAUKXSAKSA-N 1 0 333.476 1.566 20 10 EDCDRO COCC(C)(C)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000819895392 593774746 /nfs/dbraw/zinc/77/47/46/593774746.db2.gz NHESNEBHYLJMGK-MRXNPFEDSA-N 1 0 336.432 1.361 20 10 EDCDRO COC(OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000821064843 593957278 /nfs/dbraw/zinc/95/72/78/593957278.db2.gz IGQOVJXHLDOJQW-CYBMUJFWSA-N 1 0 342.823 1.745 20 10 EDCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564287 594039409 /nfs/dbraw/zinc/03/94/09/594039409.db2.gz HQDYRCDDNWAMAT-LBPRGKRZSA-N 1 0 340.420 1.718 20 10 EDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000825067863 594125275 /nfs/dbraw/zinc/12/52/75/594125275.db2.gz GEAIHWFCKLAFSN-QMMMGPOBSA-N 1 0 331.210 1.778 20 10 EDCDRO CCOc1ccc(O)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000825148272 594136557 /nfs/dbraw/zinc/13/65/57/594136557.db2.gz RYCWTXQDDKPJEZ-MRXNPFEDSA-N 1 0 347.459 1.577 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000825155933 594137914 /nfs/dbraw/zinc/13/79/14/594137914.db2.gz LZUYRSWNJBBDOT-PXNSSMCTSA-N 1 0 345.487 1.974 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H](F)C3)CC2)cc1 ZINC000830479118 594403780 /nfs/dbraw/zinc/40/37/80/594403780.db2.gz CAIXYZNICCTBOL-RDJZCZTQSA-N 1 0 337.439 1.222 20 10 EDCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@]3(CO)CCOC3)cc2)CC1 ZINC000828762594 594497477 /nfs/dbraw/zinc/49/74/77/594497477.db2.gz YKESXUIUMDLHLC-LJQANCHMSA-N 1 0 334.460 1.885 20 10 EDCDRO c1cn(C[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000826845815 594587477 /nfs/dbraw/zinc/58/74/77/594587477.db2.gz LWKSRIDETBMDTP-QGZVFWFLSA-N 1 0 327.432 1.637 20 10 EDCDRO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000827457827 594674027 /nfs/dbraw/zinc/67/40/27/594674027.db2.gz IOALQGTUIRBZIK-GJZGRUSLSA-N 1 0 342.418 1.962 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)cc2)C1 ZINC000827469346 594675161 /nfs/dbraw/zinc/67/51/61/594675161.db2.gz VLUVGXDUAIANKR-RDJZCZTQSA-N 1 0 344.459 1.132 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C(=O)NC3CC3)CCC2)cc1 ZINC000832274124 594739588 /nfs/dbraw/zinc/73/95/88/594739588.db2.gz SNYXMVVKNPXEBH-INIZCTEOSA-N 1 0 344.459 1.318 20 10 EDCDRO COCc1ncsc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284535 594740192 /nfs/dbraw/zinc/74/01/92/594740192.db2.gz KQOZEWXLFHAORX-ZDUSSCGKSA-N 1 0 334.445 1.785 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000832293393 594740816 /nfs/dbraw/zinc/74/08/16/594740816.db2.gz VUPMCNZZVGGYQN-MRXNPFEDSA-N 1 0 341.411 1.954 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCNC(=O)C2CC2)cc1 ZINC000832299410 594741158 /nfs/dbraw/zinc/74/11/58/594741158.db2.gz AJCXWZZEEGQIBQ-INIZCTEOSA-N 1 0 332.448 1.175 20 10 EDCDRO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cc(Br)ccc1O ZINC000840805752 594817235 /nfs/dbraw/zinc/81/72/35/594817235.db2.gz TXVFLIQHUFWNPU-ONGXEEELSA-N 1 0 341.209 1.458 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840919087 594827986 /nfs/dbraw/zinc/82/79/86/594827986.db2.gz SZRUUZYJAQSVQQ-LLVKDONJSA-N 1 0 332.853 1.868 20 10 EDCDRO CCN1C(=O)[C@H]2C[N@H+](Cc3c(O)cc(C)cc3Cl)CCN2C1=O ZINC000840922110 594828206 /nfs/dbraw/zinc/82/82/06/594828206.db2.gz IELPJVSRFGALRH-CYBMUJFWSA-N 1 0 337.807 1.822 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCN(C(COC)COC)CC2)c1 ZINC000840955811 594832706 /nfs/dbraw/zinc/83/27/06/594832706.db2.gz ZUQVRPFRCYKHHT-UHFFFAOYSA-N 1 0 338.448 1.570 20 10 EDCDRO COc1cccc(O)c1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000840955580 594832760 /nfs/dbraw/zinc/83/27/60/594832760.db2.gz VYMICOKWYLRLMD-UHFFFAOYSA-N 1 0 340.445 1.401 20 10 EDCDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841741648 594946062 /nfs/dbraw/zinc/94/60/62/594946062.db2.gz OWRVTQCEIAHXSA-HOTGVXAUSA-N 1 0 346.475 1.883 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841779250 594951150 /nfs/dbraw/zinc/95/11/50/594951150.db2.gz OOIVFQTVXPRYID-OAHLLOKOSA-N 1 0 346.475 1.963 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc1F ZINC000841799625 594955174 /nfs/dbraw/zinc/95/51/74/594955174.db2.gz YVULOADITXKKKU-CQSZACIVSA-N 1 0 338.427 1.460 20 10 EDCDRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCCO1 ZINC000841832770 594959666 /nfs/dbraw/zinc/95/96/66/594959666.db2.gz SJVOXILDQOSMBE-KRWDZBQOSA-N 1 0 330.432 1.322 20 10 EDCDRO C[C@H](CC[NH3+])NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841914396 594980875 /nfs/dbraw/zinc/98/08/75/594980875.db2.gz DIOVPCWDUUNOIN-LLVKDONJSA-N 1 0 342.390 1.338 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841924305 594982679 /nfs/dbraw/zinc/98/26/79/594982679.db2.gz WSELJOGIPGPGPY-MRXNPFEDSA-N 1 0 346.475 1.917 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000841938154 594985862 /nfs/dbraw/zinc/98/58/62/594985862.db2.gz IRLIVTOJXNTIJK-INIZCTEOSA-N 1 0 346.475 1.664 20 10 EDCDRO Nc1ccc(CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000841956223 594989284 /nfs/dbraw/zinc/98/92/84/594989284.db2.gz YZOFUQUUGNADJW-UHFFFAOYSA-N 1 0 345.491 1.327 20 10 EDCDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000841976626 594993767 /nfs/dbraw/zinc/99/37/67/594993767.db2.gz MYDTUSRWAKQKAU-CABZTGNLSA-N 1 0 342.237 1.952 20 10 EDCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842094889 595016213 /nfs/dbraw/zinc/01/62/13/595016213.db2.gz XBZNNVHHEUFJBU-KRWDZBQOSA-N 1 0 346.475 1.308 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000842152054 595023853 /nfs/dbraw/zinc/02/38/53/595023853.db2.gz DVYRACYAHADMOM-PBHICJAKSA-N 1 0 346.475 1.311 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000842154585 595024822 /nfs/dbraw/zinc/02/48/22/595024822.db2.gz UWAGTPJFURNCKG-KRWDZBQOSA-N 1 0 348.491 1.509 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842203653 595037655 /nfs/dbraw/zinc/03/76/55/595037655.db2.gz VONKSMDVHVJFLV-CABCVRRESA-N 1 0 346.475 1.517 20 10 EDCDRO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842234645 595048074 /nfs/dbraw/zinc/04/80/74/595048074.db2.gz VRICLUXPQPDGKN-UHFFFAOYSA-N 1 0 334.464 1.215 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000842264186 595059032 /nfs/dbraw/zinc/05/90/32/595059032.db2.gz DVMCLMVONQTRSA-LJQANCHMSA-N 1 0 347.459 1.637 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000842263767 595059207 /nfs/dbraw/zinc/05/92/07/595059207.db2.gz UGMSRILBVGSXEK-UHFFFAOYSA-N 1 0 348.491 1.735 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000842265699 595059960 /nfs/dbraw/zinc/05/99/60/595059960.db2.gz LZVQWNHGMMOHTI-RHSMWYFYSA-N 1 0 346.475 1.215 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000842264668 595059964 /nfs/dbraw/zinc/05/99/64/595059964.db2.gz BKNBZRFKBXXPLT-DZGCQCFKSA-N 1 0 333.432 1.245 20 10 EDCDRO CC(=O)N1CC[C@](C)(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000843298328 595065869 /nfs/dbraw/zinc/06/58/69/595065869.db2.gz NSYKNQXGGBSIQE-AEFFLSMTSA-N 1 0 332.448 1.127 20 10 EDCDRO CCOC(=O)C1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCCC1 ZINC000843298687 595066794 /nfs/dbraw/zinc/06/67/94/595066794.db2.gz PTWPMXWCCINBIY-MRXNPFEDSA-N 1 0 347.459 1.992 20 10 EDCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)C[NH3+] ZINC000843484695 595125784 /nfs/dbraw/zinc/12/57/84/595125784.db2.gz LEAGBQCQKRABCO-AWEZNQCLSA-N 1 0 341.411 1.557 20 10 EDCDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000842784880 595197279 /nfs/dbraw/zinc/19/72/79/595197279.db2.gz MWBMWBSFAWPENT-HNNXBMFYSA-N 1 0 337.445 1.941 20 10 EDCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000834872185 595236519 /nfs/dbraw/zinc/23/65/19/595236519.db2.gz XBZIVYSCZUUQLM-OCCSQVGLSA-N 1 0 333.837 1.636 20 10 EDCDRO CCO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1C[NH3+] ZINC000846694993 595303246 /nfs/dbraw/zinc/30/32/46/595303246.db2.gz HMQPBOSGILAKOZ-NVXWUHKLSA-N 1 0 342.443 1.925 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848407113 595374594 /nfs/dbraw/zinc/37/45/94/595374594.db2.gz MHNRHSWVUCZQCO-AZUAARDMSA-N 1 0 343.471 1.871 20 10 EDCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000848900558 595464733 /nfs/dbraw/zinc/46/47/33/595464733.db2.gz NXCJEDZMVNBZNK-RDJZCZTQSA-N 1 0 339.457 1.781 20 10 EDCDRO COC(=O)CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849321128 595505667 /nfs/dbraw/zinc/50/56/67/595505667.db2.gz XQSQVZMZDRKVIY-XJKSGUPXSA-N 1 0 333.432 1.567 20 10 EDCDRO COC(=O)c1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000852792052 595545043 /nfs/dbraw/zinc/54/50/43/595545043.db2.gz PRIQWGMFZMHHFX-OAHLLOKOSA-N 1 0 345.399 1.870 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000850626467 595561955 /nfs/dbraw/zinc/56/19/55/595561955.db2.gz WOIGHAMHARCROP-UHFFFAOYSA-N 1 0 333.432 1.151 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)C2)cc1 ZINC000852844692 595571957 /nfs/dbraw/zinc/57/19/57/595571957.db2.gz YSPHVYOBBYDDMH-JCGIZDLHSA-N 1 0 329.444 1.921 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1F ZINC000858118371 595704221 /nfs/dbraw/zinc/70/42/21/595704221.db2.gz YECPEAUFBKFHMK-GFCCVEGCSA-N 1 0 347.431 1.544 20 10 EDCDRO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000109771246 595734190 /nfs/dbraw/zinc/73/41/90/595734190.db2.gz WBNUPNIAZMMXCN-GFCCVEGCSA-N 1 0 327.384 1.950 20 10 EDCDRO CS(=O)(=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000850376908 595822421 /nfs/dbraw/zinc/82/24/21/595822421.db2.gz NTGYRDFVTUKSTE-UHFFFAOYSA-N 1 0 341.429 1.958 20 10 EDCDRO CC[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000858572255 595832162 /nfs/dbraw/zinc/83/21/62/595832162.db2.gz RGBXYQSVCMYZBY-AWEZNQCLSA-N 1 0 327.450 1.232 20 10 EDCDRO C[C@@H]([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000851950862 595982935 /nfs/dbraw/zinc/98/29/35/595982935.db2.gz TUBPRIBLIVICPR-AUUYWEPGSA-N 1 0 327.428 1.776 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)cc2)CC1 ZINC000854230798 596008705 /nfs/dbraw/zinc/00/87/05/596008705.db2.gz YYMIMCBAGPDIJS-PMACEKPBSA-N 1 0 345.487 1.504 20 10 EDCDRO COc1ccc(O)c(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856534747 596013279 /nfs/dbraw/zinc/01/32/79/596013279.db2.gz BQNVMJZJFZTLLT-JKSUJKDBSA-N 1 0 341.411 1.751 20 10 EDCDRO C[NH2+]CCOCCNC(=O)NCc1cc(Br)ccc1O ZINC000861677060 596064632 /nfs/dbraw/zinc/06/46/32/596064632.db2.gz WXFHNFLICFQIQG-UHFFFAOYSA-N 1 0 346.225 1.190 20 10 EDCDRO C[NH2+]CCOCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000861676827 596064720 /nfs/dbraw/zinc/06/47/20/596064720.db2.gz LIHNKNJVLNXZNZ-UHFFFAOYSA-N 1 0 334.464 1.663 20 10 EDCDRO CCOCCn1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000856993578 596133135 /nfs/dbraw/zinc/13/31/35/596133135.db2.gz FSOUCYYWEMXLIZ-KRWDZBQOSA-N 1 0 345.447 1.415 20 10 EDCDRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(Cl)cc1O ZINC000866554870 596248929 /nfs/dbraw/zinc/24/89/29/596248929.db2.gz OHBNQVSJRJTFFF-BDJLRTHQSA-N 1 0 340.807 1.324 20 10 EDCDRO Oc1cccc(Br)c1C[NH2+]CCN1CCCOCC1 ZINC000862367786 596312077 /nfs/dbraw/zinc/31/20/77/596312077.db2.gz VGPIRBADAYNLAF-UHFFFAOYSA-N 1 0 329.238 1.967 20 10 EDCDRO COC[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862387467 596317864 /nfs/dbraw/zinc/31/78/64/596317864.db2.gz MVRUAHZAQLPCJR-CQSZACIVSA-N 1 0 330.222 1.986 20 10 EDCDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862396744 596320160 /nfs/dbraw/zinc/32/01/60/596320160.db2.gz YAHKAECMMXCRLR-STQMWFEESA-N 1 0 327.419 1.918 20 10 EDCDRO COc1ccc(N2CCC([NH2+]C3CN(c4ccncn4)C3)CC2)cc1 ZINC000865747095 596668714 /nfs/dbraw/zinc/66/87/14/596668714.db2.gz OFTWOGQXLJPMSU-UHFFFAOYSA-N 1 0 339.443 1.932 20 10 EDCDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1O ZINC000868290304 596769643 /nfs/dbraw/zinc/76/96/43/596769643.db2.gz LSKWEDCNZVQVRZ-CABCVRRESA-N 1 0 346.475 1.921 20 10 EDCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1)C1CC1 ZINC000870165115 596783308 /nfs/dbraw/zinc/78/33/08/596783308.db2.gz OLXVXABWUWYLCW-UHFFFAOYSA-N 1 0 347.459 1.837 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1Cl ZINC000872261373 596859194 /nfs/dbraw/zinc/85/91/94/596859194.db2.gz NVBFDHYKUMVNBQ-OAHLLOKOSA-N 1 0 326.780 1.665 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1Cn1cccn1 ZINC000873119912 597202480 /nfs/dbraw/zinc/20/24/80/597202480.db2.gz RLVAAJOGPNPJCH-WMZOPIPTSA-N 1 0 345.443 1.675 20 10 EDCDRO CCCOc1ccc(C[NH2+]CCn2cc(C(=O)OC)nn2)cc1C ZINC000873123975 597204913 /nfs/dbraw/zinc/20/49/13/597204913.db2.gz PHSXWZPWIGRDAK-UHFFFAOYSA-N 1 0 332.404 1.952 20 10 EDCDRO COc1ccc(C[NH2+]CCCc2cnn(C)n2)cc1Cn1cccn1 ZINC000873128628 597206054 /nfs/dbraw/zinc/20/60/54/597206054.db2.gz YARHHHXKPZAYRS-UHFFFAOYSA-N 1 0 340.431 1.791 20 10 EDCDRO Cc1cn2c(n1)C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000876506587 597224331 /nfs/dbraw/zinc/22/43/31/597224331.db2.gz MANUHCGHTDYDSK-WBVHZDCISA-N 1 0 341.459 1.636 20 10 EDCDRO Cc1cc(N2CC[NH+](Cc3c(C)cccc3O)CC2)n2ncnc2n1 ZINC000876576389 597247125 /nfs/dbraw/zinc/24/71/25/597247125.db2.gz IWOHJELSCCJMFN-UHFFFAOYSA-N 1 0 338.415 1.769 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CC2)cc1 ZINC000876707847 597296445 /nfs/dbraw/zinc/29/64/45/597296445.db2.gz CGEPVOYMJDQZAG-KBPBESRZSA-N 1 0 325.359 1.184 20 10 EDCDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876746425 597319235 /nfs/dbraw/zinc/31/92/35/597319235.db2.gz XAEFOHNTJKCRMN-UHFFFAOYSA-N 1 0 347.503 1.536 20 10 EDCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCOCC1 ZINC000876891743 597372168 /nfs/dbraw/zinc/37/21/68/597372168.db2.gz DQMBHOSYZFFFSA-UHFFFAOYSA-N 1 0 347.503 1.848 20 10 EDCDRO NC(=O)C1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877032652 597417327 /nfs/dbraw/zinc/41/73/27/597417327.db2.gz NREBHUYFJHEMDV-UHFFFAOYSA-N 1 0 331.460 1.781 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)c(OC)c1 ZINC000877227560 597467690 /nfs/dbraw/zinc/46/76/90/597467690.db2.gz LUAUMFXCCKAULG-OAHLLOKOSA-N 1 0 347.459 1.742 20 10 EDCDRO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)cc2)CC1 ZINC000877398900 597509923 /nfs/dbraw/zinc/50/99/23/597509923.db2.gz OYJQCCKJZVUXII-IBGZPJMESA-N 1 0 332.444 1.639 20 10 EDCDRO O=C1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCCN1 ZINC000877582334 597538324 /nfs/dbraw/zinc/53/83/24/597538324.db2.gz QQUVQEJJOQFWBS-ZDUSSCGKSA-N 1 0 339.386 1.560 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C[C@]23COCCN2C(=O)COC3)cc1Cl ZINC000877730920 597551786 /nfs/dbraw/zinc/55/17/86/597551786.db2.gz IYHVQYDNOQCVLP-MRXNPFEDSA-N 1 0 340.807 1.071 20 10 EDCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000130892046 597638010 /nfs/dbraw/zinc/63/80/10/597638010.db2.gz XCAYKXSTGMDBLI-MCMMXHMISA-N 1 0 328.453 1.861 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cc[nH]n3)cc2)CC1 ZINC000883147859 597667496 /nfs/dbraw/zinc/66/74/96/597667496.db2.gz LJXNCUXZZNJABF-UHFFFAOYSA-N 1 0 328.420 1.161 20 10 EDCDRO C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000883185778 597680382 /nfs/dbraw/zinc/68/03/82/597680382.db2.gz DTSIBINGRURESW-UHFFFAOYSA-N 1 0 346.475 1.759 20 10 EDCDRO Cc1noc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883302604 597707381 /nfs/dbraw/zinc/70/73/81/597707381.db2.gz CDNBVQMZRCJWSS-UHFFFAOYSA-N 1 0 344.419 1.129 20 10 EDCDRO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1O ZINC000883371088 597725526 /nfs/dbraw/zinc/72/55/26/597725526.db2.gz YOSDZKRCIRXOQA-SJORKVTESA-N 1 0 333.476 1.839 20 10 EDCDRO COc1cc(O)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000131826385 597746725 /nfs/dbraw/zinc/74/67/25/597746725.db2.gz LMZRGZATQDCVRX-OAHLLOKOSA-N 1 0 339.355 1.855 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@](C)(O)C3CC3)cc2)CC1 ZINC000881852250 597754341 /nfs/dbraw/zinc/75/43/41/597754341.db2.gz JIDTZOAQWJDMBQ-IBGZPJMESA-N 1 0 331.460 1.606 20 10 EDCDRO CCn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC000881854569 597756461 /nfs/dbraw/zinc/75/64/61/597756461.db2.gz HAJMUFNAZHKRSL-UHFFFAOYSA-N 1 0 341.459 1.893 20 10 EDCDRO COC(=O)c1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000884010804 597967809 /nfs/dbraw/zinc/96/78/09/597967809.db2.gz LZUQQJREMDBPLL-CQSZACIVSA-N 1 0 345.399 1.870 20 10 EDCDRO CC[C@](C)([NH3+])c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881084334 598069694 /nfs/dbraw/zinc/06/96/94/598069694.db2.gz RCXQHTPDRRRAEH-SFHVURJKSA-N 1 0 344.463 1.587 20 10 EDCDRO COC(=O)c1nccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882879810 598093781 /nfs/dbraw/zinc/09/37/81/598093781.db2.gz NWSIKWCMDNCJTD-UHFFFAOYSA-N 1 0 341.415 1.049 20 10 EDCDRO Cc1nc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nn2n1 ZINC000882880560 598094081 /nfs/dbraw/zinc/09/40/81/598094081.db2.gz YNGGVBLNEGUGBU-UHFFFAOYSA-N 1 0 337.431 1.797 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3N)cc2)C1 ZINC000882908868 598100636 /nfs/dbraw/zinc/10/06/36/598100636.db2.gz GXJFUDXGCXTVFW-INIZCTEOSA-N 1 0 339.443 1.655 20 10 EDCDRO C[NH+](C)CCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000918147039 697135448 /nfs/dbraw/zinc/13/54/48/697135448.db2.gz CXTFYZONTQSOLH-UHFFFAOYSA-N 1 0 348.491 1.646 20 10 EDCDRO COc1ccc(-n2nnnc2C[NH2+]C[C@@H]2CC[C@@H](NC(C)=O)C2)cc1 ZINC000994569907 697159627 /nfs/dbraw/zinc/15/96/27/697159627.db2.gz GOVJBQJLAVNWOO-ZIAGYGMSSA-N 1 0 344.419 1.065 20 10 EDCDRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000237933730 698519166 /nfs/dbraw/zinc/51/91/66/698519166.db2.gz OYLGHRHLAXTAJV-QGZVFWFLSA-N 1 0 349.500 1.625 20 10 EDCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)c3nc[nH]n3)CC2)cc1C ZINC000998164052 705453811 /nfs/dbraw/zinc/45/38/11/705453811.db2.gz QRRRMQLRQVSDAF-UHFFFAOYSA-N 1 0 343.431 1.764 20 10 EDCDRO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921798815 708056374 /nfs/dbraw/zinc/05/63/74/708056374.db2.gz CNUWFBUAAVZIFG-CZUORRHYSA-N 1 0 338.473 1.771 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C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000164824644 442203999 /nfs/dbraw/zinc/20/39/99/442203999.db2.gz FWNUKISVGGZYGV-GFCCVEGCSA-N 1 0 330.425 1.358 20 10 EDCDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165415705 442209517 /nfs/dbraw/zinc/20/95/17/442209517.db2.gz DRSLUDFMLSGDMC-CQSZACIVSA-N 1 0 341.452 1.359 20 10 EDCDRO Nc1ccc(CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000152489265 442219099 /nfs/dbraw/zinc/21/90/99/442219099.db2.gz SHVIGGUYSFVCAJ-UHFFFAOYSA-N 1 0 331.460 1.963 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@H]3CCOC3)CC2)cc1 ZINC000178337488 442425782 /nfs/dbraw/zinc/42/57/82/442425782.db2.gz RXOQNGJWDPBCMV-MRXNPFEDSA-N 1 0 347.459 1.312 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCN3CCO[C@H](C)C3)CC2)cc1 ZINC000192724054 442680305 /nfs/dbraw/zinc/68/03/05/442680305.db2.gz VVEHXXVSLTZBDB-QGZVFWFLSA-N 1 0 333.476 1.928 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(C)COC3)CC2)cc1 ZINC000272744441 443428920 /nfs/dbraw/zinc/42/89/20/443428920.db2.gz 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ZINC000281073441 443811307 /nfs/dbraw/zinc/81/13/07/443811307.db2.gz KXEIEELJLWLTLF-LJQANCHMSA-N 1 0 346.475 1.169 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCF)CC2)cc1 ZINC000281727961 443990102 /nfs/dbraw/zinc/99/01/02/443990102.db2.gz FTVGLFKTTOEWPH-UHFFFAOYSA-N 1 0 338.427 1.476 20 10 EDCDRO Cc1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1N(C)C ZINC000293553898 444053033 /nfs/dbraw/zinc/05/30/33/444053033.db2.gz LKWKEQOISHBGFP-HNNXBMFYSA-N 1 0 325.478 1.527 20 10 EDCDRO CC(C)[C@@](C)([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(N)=O ZINC000289476376 444154109 /nfs/dbraw/zinc/15/41/09/444154109.db2.gz ZMRVYBXWPQFYGP-GOSISDBHSA-N 1 0 334.464 1.201 20 10 EDCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000289487084 444156924 /nfs/dbraw/zinc/15/69/24/444156924.db2.gz RFVKJPPRFIUFCB-UHFFFAOYSA-N 1 0 337.807 1.870 20 10 EDCDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000295009977 444163766 /nfs/dbraw/zinc/16/37/66/444163766.db2.gz JJEQZBNZPDAGPY-QGZVFWFLSA-N 1 0 339.388 1.421 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000296140124 444207795 /nfs/dbraw/zinc/20/77/95/444207795.db2.gz RWBCSWIIUWQVRV-QGZVFWFLSA-N 1 0 333.476 1.852 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000289854874 444212012 /nfs/dbraw/zinc/21/20/12/444212012.db2.gz VCTHJHLNWVPHNR-CQSZACIVSA-N 1 0 334.338 1.754 20 10 EDCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000290123004 444245154 /nfs/dbraw/zinc/24/51/54/444245154.db2.gz JMYOUKSJJNYADC-MSOLQXFVSA-N 1 0 331.460 1.774 20 10 EDCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(OC)ccc3O)C2)nn1 ZINC000363904921 445883846 /nfs/dbraw/zinc/88/38/46/445883846.db2.gz BSBZSZNDHCEAGE-LBPRGKRZSA-N 1 0 332.360 1.226 20 10 EDCDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000365753407 446328569 /nfs/dbraw/zinc/32/85/69/446328569.db2.gz LYFVKJJHVOWUBY-AWEZNQCLSA-N 1 0 333.432 1.338 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]23CCOC3)cc1 ZINC000367452741 446547682 /nfs/dbraw/zinc/54/76/82/446547682.db2.gz VYTZSVSOMVOWKD-IBGZPJMESA-N 1 0 331.460 1.966 20 10 EDCDRO C[C@H](C[NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000375912683 447144773 /nfs/dbraw/zinc/14/47/73/447144773.db2.gz CSTLTXZTEXPBFU-LLVKDONJSA-N 1 0 327.375 1.968 20 10 EDCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC2C[NH2+]C2)CCCC1 ZINC000653127448 453321250 /nfs/dbraw/zinc/32/12/50/453321250.db2.gz AJCKOGDRJITWSM-UHFFFAOYSA-N 1 0 327.428 1.864 20 10 EDCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390076 579450444 /nfs/dbraw/zinc/45/04/44/579450444.db2.gz ATQSGUWNTQDIGG-SWLSCSKDSA-N 1 0 344.415 1.808 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCOCC[NH+](C)C)c1 ZINC000788016924 578541689 /nfs/dbraw/zinc/54/16/89/578541689.db2.gz HJQFHNUVLDXVIJ-LBPRGKRZSA-N 1 0 325.409 1.339 20 10 EDCDRO CN1CCCc2cc(CNC(=O)NCCNc3cc[nH+]cc3)ccc21 ZINC000729605674 578584255 /nfs/dbraw/zinc/58/42/55/578584255.db2.gz URRWUMODYBVGPE-UHFFFAOYSA-N 1 0 339.443 1.797 20 10 EDCDRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000732281266 578702421 /nfs/dbraw/zinc/70/24/21/578702421.db2.gz VZPQPMZEEOTNNB-ZDUSSCGKSA-N 1 0 325.478 1.942 20 10 EDCDRO CNS(=O)(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000734847288 578840070 /nfs/dbraw/zinc/84/00/70/578840070.db2.gz GXFAPNONKHGRMM-UHFFFAOYSA-N 1 0 325.478 1.656 20 10 EDCDRO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000761230444 580052345 /nfs/dbraw/zinc/05/23/45/580052345.db2.gz ZDQGDPLTLBKIIB-QGZVFWFLSA-N 1 0 344.459 1.559 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C3CCOCC3)CC2)cc1 ZINC000746667307 579605860 /nfs/dbraw/zinc/60/58/60/579605860.db2.gz HLYDIWVXWBQKIB-UHFFFAOYSA-N 1 0 347.459 1.455 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000756408488 579949612 /nfs/dbraw/zinc/94/96/12/579949612.db2.gz OOXLYKNDMNXUTA-OAHLLOKOSA-N 1 0 349.475 1.857 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1 ZINC000756484520 579950798 /nfs/dbraw/zinc/95/07/98/579950798.db2.gz XTMONAFSQOGTBL-NSHDSACASA-N 1 0 330.450 1.769 20 10 EDCDRO Cc1cccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c1O ZINC000757911280 579972900 /nfs/dbraw/zinc/97/29/00/579972900.db2.gz VMMKOYRRHPDYSX-UHFFFAOYSA-N 1 0 331.420 1.187 20 10 EDCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790178 580083375 /nfs/dbraw/zinc/08/33/75/580083375.db2.gz XWLDAFWFIDESFO-RDTXWAMCSA-N 1 0 337.439 1.380 20 10 EDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1C ZINC000764573035 580123688 /nfs/dbraw/zinc/12/36/88/580123688.db2.gz DZZNTFFBGGLMBU-CZUORRHYSA-N 1 0 349.450 1.743 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000765417333 580141685 /nfs/dbraw/zinc/14/16/85/580141685.db2.gz QGROVEWZTJDTKX-UHFFFAOYSA-N 1 0 346.475 1.028 20 10 EDCDRO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765980829 580155776 /nfs/dbraw/zinc/15/57/76/580155776.db2.gz SCPDIRDLUAFDTC-AWEZNQCLSA-N 1 0 326.462 1.436 20 10 EDCDRO O=C(C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1)N1CCCC1 ZINC000768441315 580212821 /nfs/dbraw/zinc/21/28/21/580212821.db2.gz GDOICGHYBADEPM-QGZVFWFLSA-N 1 0 346.427 1.652 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1)[C@@H](O)CO2 ZINC000768466186 580214249 /nfs/dbraw/zinc/21/42/49/580214249.db2.gz NQZSVUUVRMBUPG-PBHICJAKSA-N 1 0 334.416 1.115 20 10 EDCDRO COc1ccc(O)c(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)c1 ZINC000768532013 580215518 /nfs/dbraw/zinc/21/55/18/580215518.db2.gz KAIRTIKHSOCAPC-UHFFFAOYSA-N 1 0 340.420 1.720 20 10 EDCDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000769447243 580237365 /nfs/dbraw/zinc/23/73/65/580237365.db2.gz XOSOFMRAYHXECA-UHFFFAOYSA-N 1 0 347.434 1.764 20 10 EDCDRO CCN(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000773813441 580346879 /nfs/dbraw/zinc/34/68/79/580346879.db2.gz GQBUOZUVXBRVOC-UHFFFAOYSA-N 1 0 330.432 1.659 20 10 EDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccnn1C ZINC000774133737 580354737 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COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000800541944 581054673 /nfs/dbraw/zinc/05/46/73/581054673.db2.gz WWAMEKYIKDXJMC-FZMZJTMJSA-N 1 0 328.434 1.208 20 10 EDCDRO COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c1OC ZINC000893101039 590660822 /nfs/dbraw/zinc/66/08/22/590660822.db2.gz FONAFJZWIJIPCX-UHFFFAOYSA-N 1 0 329.418 1.324 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[NH+](C)C)cc1 ZINC000891242407 591013393 /nfs/dbraw/zinc/01/33/93/591013393.db2.gz GBANEDCPQRDXGK-SGYMCOKNSA-N 1 0 343.471 1.895 20 10 EDCDRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246807 591015932 /nfs/dbraw/zinc/01/59/32/591015932.db2.gz POLIWVBZBPGCJJ-MSOLQXFVSA-N 1 0 346.475 1.482 20 10 EDCDRO Cc1ccn(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891247355 591016382 /nfs/dbraw/zinc/01/63/82/591016382.db2.gz JCDNKJDRUSINKY-KRWDZBQOSA-N 1 0 329.448 1.677 20 10 EDCDRO COC[C@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOC1 ZINC000891247298 591016803 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EDCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825158495 594138368 /nfs/dbraw/zinc/13/83/68/594138368.db2.gz MQWPTRPKFPVQJU-IBGZPJMESA-N 1 0 333.476 1.269 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H](F)C3)CC2)cc1 ZINC000830479119 594403746 /nfs/dbraw/zinc/40/37/46/594403746.db2.gz CAIXYZNICCTBOL-WBVHZDCISA-N 1 0 337.439 1.222 20 10 EDCDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]2N1 ZINC000827141571 594646981 /nfs/dbraw/zinc/64/69/81/594646981.db2.gz USNSCMMNNCEUCD-WMZOPIPTSA-N 1 0 329.444 1.624 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCC3)cc2F)C[C@H](C)O1 ZINC000827364560 594665069 /nfs/dbraw/zinc/66/50/69/594665069.db2.gz IJCWIBUOFQJOOB-BETUJISGSA-N 1 0 335.423 1.937 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000827458879 594674229 /nfs/dbraw/zinc/67/42/29/594674229.db2.gz PMRFNQKOODHJTK-HKUYNNGSSA-N 1 0 329.444 1.734 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](OC)[C@H](C)C1)cc2=O ZINC000831533161 594681316 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C[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(N(C)C)cc1 ZINC000841880482 594972659 /nfs/dbraw/zinc/97/26/59/594972659.db2.gz AMXIRAILOSGBFS-MAUKXSAKSA-N 1 0 345.491 1.503 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202554 595036988 /nfs/dbraw/zinc/03/69/88/595036988.db2.gz JAOYEAJDHCBSEB-IJEWVQPXSA-N 1 0 346.475 1.373 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000842206442 595038573 /nfs/dbraw/zinc/03/85/73/595038573.db2.gz GKPOYKRWRKUZTO-HOCLYGCPSA-N 1 0 346.475 1.345 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842210425 595040733 /nfs/dbraw/zinc/04/07/33/595040733.db2.gz AGXPBWOQJSTOQE-GDBMZVCRSA-N 1 0 344.459 1.099 20 10 EDCDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842212536 595041113 /nfs/dbraw/zinc/04/11/13/595041113.db2.gz HJGKFRAUYWGPNF-INIZCTEOSA-N 1 0 344.459 1.100 20 10 EDCDRO COc1ccc(CNS(=O)(=O)CCC[NH+]2CCCC2)c(O)c1 ZINC000867217904 595050601 /nfs/dbraw/zinc/05/06/01/595050601.db2.gz RQEDZJVIHCYYGA-UHFFFAOYSA-N 1 0 328.434 1.306 20 10 EDCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842254583 595056578 /nfs/dbraw/zinc/05/65/78/595056578.db2.gz XFGYILLUZCHSSV-AWEZNQCLSA-N 1 0 347.459 1.907 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000842265427 595059926 /nfs/dbraw/zinc/05/99/26/595059926.db2.gz JXAUXHQCCNLYMR-HOCLYGCPSA-N 1 0 346.475 1.358 20 10 EDCDRO C[C@@H]1CCn2ncc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c2C1 ZINC000843296572 595065607 /nfs/dbraw/zinc/06/56/07/595065607.db2.gz BEXHVAQWCUOOJM-CXAGYDPISA-N 1 0 341.459 1.961 20 10 EDCDRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350943 595083731 /nfs/dbraw/zinc/08/37/31/595083731.db2.gz YKIGUGODUQJXFE-CJNGLKHVSA-N 1 0 344.459 1.010 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000843485363 595125672 /nfs/dbraw/zinc/12/56/72/595125672.db2.gz LAARWRHXULIKOK-KRWDZBQOSA-N 1 0 346.475 1.358 20 10 EDCDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843485669 595126135 /nfs/dbraw/zinc/12/61/35/595126135.db2.gz MWLJXMQLHSZSGX-SFHVURJKSA-N 1 0 348.491 1.589 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)CO[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000843506339 595135226 /nfs/dbraw/zinc/13/52/26/595135226.db2.gz LXOAQXMEDAAUGR-QAPCUYQASA-N 1 0 347.459 1.406 20 10 EDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846186678 595167806 /nfs/dbraw/zinc/16/78/06/595167806.db2.gz ZJAPZEKVPYNHRR-ZFWWWQNUSA-N 1 0 325.478 1.827 20 10 EDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1O ZINC000834871813 595236530 /nfs/dbraw/zinc/23/65/30/595236530.db2.gz SZFZZEFKJKUAPN-HZMBPMFUSA-N 1 0 333.837 1.554 20 10 EDCDRO COc1cc(Br)cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843058111 595276167 /nfs/dbraw/zinc/27/61/67/595276167.db2.gz PNXYUZJNFGRSPD-ZANVPECISA-N 1 0 345.237 1.711 20 10 EDCDRO COc1c(O)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000843113663 595289531 /nfs/dbraw/zinc/28/95/31/595289531.db2.gz AAALRAKYXFDCTI-OAHLLOKOSA-N 1 0 344.371 1.851 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC3CCC2(C[NH3+])CC3)cc1 ZINC000848600697 595415967 /nfs/dbraw/zinc/41/59/67/595415967.db2.gz IQQXNZRXECPEEZ-UHFFFAOYSA-N 1 0 330.476 1.572 20 10 EDCDRO COc1ccc(N2CC[NH+](CCNc3cc(=O)n(C)cn3)CC2)cc1 ZINC000848657587 595423793 /nfs/dbraw/zinc/42/37/93/595423793.db2.gz AQRQGDYSKMVFAZ-UHFFFAOYSA-N 1 0 343.431 1.023 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000848898388 595464913 /nfs/dbraw/zinc/46/49/13/595464913.db2.gz UUPZUYSMHRIAOA-KDOFPFPSSA-N 1 0 331.416 1.765 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)NCC34CC(C3)C[NH2+]4)cs2)cc1 ZINC000852866152 595585889 /nfs/dbraw/zinc/58/58/89/595585889.db2.gz SZNRCAHZJYSDPM-UHFFFAOYSA-N 1 0 328.441 1.798 20 10 EDCDRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868427 595587784 /nfs/dbraw/zinc/58/77/84/595587784.db2.gz FDFHNBFTGJVADS-CQSZACIVSA-N 1 0 327.375 1.246 20 10 EDCDRO c1nnc2ccc(N3CC[C@@H]([NH2+]Cc4ccc5c(c4)CCO5)C3)nn12 ZINC000858244843 595742006 /nfs/dbraw/zinc/74/20/06/595742006.db2.gz JAJSHNJICAVWGI-OAHLLOKOSA-N 1 0 336.399 1.428 20 10 EDCDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000858326800 595765298 /nfs/dbraw/zinc/76/52/98/595765298.db2.gz FICMNWWHTXMWAU-DLBZAZTESA-N 1 0 344.415 1.834 20 10 EDCDRO O=C(NCCC[NH2+]C1CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851661734 595872943 /nfs/dbraw/zinc/87/29/43/595872943.db2.gz MZTJTXVBFGWUJW-UHFFFAOYSA-N 1 0 346.475 1.589 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000851662906 595873712 /nfs/dbraw/zinc/87/37/12/595873712.db2.gz NMNGIKZKYJKLAK-BEFAXECRSA-N 1 0 346.475 1.963 20 10 EDCDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663970 595874169 /nfs/dbraw/zinc/87/41/69/595874169.db2.gz OGSGCUFNTAYBJV-KBXCAEBGSA-N 1 0 346.475 1.445 20 10 EDCDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851669216 595878006 /nfs/dbraw/zinc/87/80/06/595878006.db2.gz YEBDYOLEOKTNLA-OAHLLOKOSA-N 1 0 348.491 1.964 20 10 EDCDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851682503 595882934 /nfs/dbraw/zinc/88/29/34/595882934.db2.gz WRZWQOIAVZBYHX-QZTJIDSGSA-N 1 0 346.475 1.717 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C)cc1 ZINC000851692170 595887384 /nfs/dbraw/zinc/88/73/84/595887384.db2.gz RXHRBXSXJWTHGP-AWEZNQCLSA-N 1 0 334.464 1.215 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2coc(S(N)(=O)=O)c2)c1 ZINC000851899576 595967775 /nfs/dbraw/zinc/96/77/75/595967775.db2.gz AAINWUOKNROBST-VIFPVBQESA-N 1 0 326.374 1.492 20 10 EDCDRO C[NH+](C)CCC[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 ZINC000856430163 595988434 /nfs/dbraw/zinc/98/84/34/595988434.db2.gz SGSMEIHYIJNCHV-DDJMYBDESA-N 1 0 334.416 1.680 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](O)C3CC3)CC2)cc1 ZINC000854311167 596032591 /nfs/dbraw/zinc/03/25/91/596032591.db2.gz ZLRAEBHXTDDIGQ-GOSISDBHSA-N 1 0 347.459 1.094 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857102614 596158221 /nfs/dbraw/zinc/15/82/21/596158221.db2.gz FQXCXCQOJVIGNN-HNAYVOBHSA-N 1 0 344.459 1.017 20 10 EDCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000862475568 596334759 /nfs/dbraw/zinc/33/47/59/596334759.db2.gz OULACIVVOIILNN-MRXNPFEDSA-N 1 0 325.361 1.173 20 10 EDCDRO CCc1cccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1O ZINC000862483337 596334847 /nfs/dbraw/zinc/33/48/47/596334847.db2.gz KMTCQMFOVARTEB-UHFFFAOYSA-N 1 0 329.404 1.482 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnn(CC3CC3)c2)cc1 ZINC000870932330 596410782 /nfs/dbraw/zinc/41/07/82/596410782.db2.gz DHMVRZANAUZUAR-QGZVFWFLSA-N 1 0 327.432 1.789 20 10 EDCDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C)c(O)c1O ZINC000869763216 596621561 /nfs/dbraw/zinc/62/15/61/596621561.db2.gz ZAMJRYBFZCFKOZ-UHFFFAOYSA-N 1 0 336.432 1.837 20 10 EDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873052607 597172537 /nfs/dbraw/zinc/17/25/37/597172537.db2.gz RRGLPYPQLXQSCF-SFHVURJKSA-N 1 0 333.432 1.817 20 10 EDCDRO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1Cn1cccn1 ZINC000873132521 597207138 /nfs/dbraw/zinc/20/71/38/597207138.db2.gz WOLHOHZLFXMLOU-FUHWJXTLSA-N 1 0 345.443 1.817 20 10 EDCDRO CCN1C[C@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1=O ZINC000873133878 597207200 /nfs/dbraw/zinc/20/72/00/597207200.db2.gz VDJXNNWZHKDTJI-INIZCTEOSA-N 1 0 342.443 1.898 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875013791 597244043 /nfs/dbraw/zinc/24/40/43/597244043.db2.gz BRYOZOJFGJYDMN-OAHLLOKOSA-N 1 0 333.432 1.774 20 10 EDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876584524 597250905 /nfs/dbraw/zinc/25/09/05/597250905.db2.gz XWFHQZZXSPJGHQ-SFHVURJKSA-N 1 0 331.460 1.748 20 10 EDCDRO Cc1cccc(O)c1C[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000876798779 597343506 /nfs/dbraw/zinc/34/35/06/597343506.db2.gz OEELGZXKVVWXNY-AWEZNQCLSA-N 1 0 338.415 1.849 20 10 EDCDRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1Cc2cccc(O)c2C1 ZINC000875395083 597412442 /nfs/dbraw/zinc/41/24/42/597412442.db2.gz WSLFHULIIZHNGA-FUHWJXTLSA-N 1 0 345.443 1.795 20 10 EDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000877113022 597435794 /nfs/dbraw/zinc/43/57/94/597435794.db2.gz YBNAEXNHBOGSLJ-LBPRGKRZSA-N 1 0 341.454 1.687 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000877227759 597467682 /nfs/dbraw/zinc/46/76/82/597467682.db2.gz OQGBWQOBIBXWQY-RDTXWAMCSA-N 1 0 349.475 1.972 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CC3(C[NH3+])CC3)CC2)c(OC)c1 ZINC000877227224 597467711 /nfs/dbraw/zinc/46/77/11/597467711.db2.gz FYJNTABLFWBBJU-UHFFFAOYSA-N 1 0 333.432 1.481 20 10 EDCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877613660 597541450 /nfs/dbraw/zinc/54/14/50/597541450.db2.gz OTGHMJVPEXBVFP-MRXNPFEDSA-N 1 0 331.460 1.606 20 10 EDCDRO Cn1nnnc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877781471 597555851 /nfs/dbraw/zinc/55/58/51/597555851.db2.gz ILMWIQZXAXKWIT-UHFFFAOYSA-N 1 0 342.447 1.426 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC(=O)NCC(F)(F)F ZINC000879651260 597674702 /nfs/dbraw/zinc/67/47/02/597674702.db2.gz PCEMGMVSLZMONC-DTWKUNHWSA-N 1 0 333.310 1.819 20 10 EDCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)c(O)c1 ZINC000883335843 597719203 /nfs/dbraw/zinc/71/92/03/597719203.db2.gz BHTNBRIEGXKXFR-GFCCVEGCSA-N 1 0 327.388 1.601 20 10 EDCDRO Cn1cc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881850395 597753731 /nfs/dbraw/zinc/75/37/31/597753731.db2.gz UBHGSMCSSKBTNH-UHFFFAOYSA-N 1 0 341.459 1.421 20 10 EDCDRO COC[C@@]1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCOC1 ZINC000881852658 597755302 /nfs/dbraw/zinc/75/53/02/597755302.db2.gz BBOCCJXHHOLFLF-IBGZPJMESA-N 1 0 347.459 1.108 20 10 EDCDRO CCn1cc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881854221 597756365 /nfs/dbraw/zinc/75/63/65/597756365.db2.gz XOTOOBANBCYNKT-UHFFFAOYSA-N 1 0 341.459 1.514 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cccnn3)cc2)CC1 ZINC000883651518 597847679 /nfs/dbraw/zinc/84/76/79/597847679.db2.gz ZRAIVFAOXLAWFG-UHFFFAOYSA-N 1 0 340.431 1.228 20 10 EDCDRO CO[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000883713906 597872677 /nfs/dbraw/zinc/87/26/77/597872677.db2.gz XRLGUSUAZXLTRJ-GOSISDBHSA-N 1 0 346.475 1.663 20 10 EDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000883782541 597899136 /nfs/dbraw/zinc/89/91/36/597899136.db2.gz GTKYGPRQCVHXQN-KRWDZBQOSA-N 1 0 346.475 1.541 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3C[NH2+]CC3(C)C)C2)cc1 ZINC000884368529 598083472 /nfs/dbraw/zinc/08/34/72/598083472.db2.gz ATRMDJKSKHOJHI-WMLDXEAASA-N 1 0 331.460 1.883 20 10 EDCDRO CSCC[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918857891 697214891 /nfs/dbraw/zinc/21/48/91/697214891.db2.gz WWJAPSBWXQNNGI-MRXNPFEDSA-N 1 0 337.489 1.169 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3csc(=O)[nH]3)cc2)CC1 ZINC000918857059 697214912 /nfs/dbraw/zinc/21/49/12/697214912.db2.gz HWRBWVRROJJPEV-UHFFFAOYSA-N 1 0 332.429 1.531 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)cc1C ZINC000999072946 706493050 /nfs/dbraw/zinc/49/30/50/706493050.db2.gz NZTRPAWESAQTMB-CABCVRRESA-N 1 0 347.415 1.193 20 10 EDCDRO CN1C[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000922490299 711609821 /nfs/dbraw/zinc/60/98/21/711609821.db2.gz XZEATXLMZWRGRB-HNNXBMFYSA-N 1 0 335.423 1.620 20 10 EDCDRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1O ZINC000267601106 249367164 /nfs/dbraw/zinc/36/71/64/249367164.db2.gz PDCBIIJQNPDUTH-AWEZNQCLSA-N 1 0 349.431 1.079 20 10 EDCDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286465525 249654284 /nfs/dbraw/zinc/65/42/84/249654284.db2.gz KHFURSDBRBMLCM-AWEZNQCLSA-N 1 0 334.464 1.167 20 10 EDCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377713793 250291204 /nfs/dbraw/zinc/29/12/04/250291204.db2.gz BGMVXFLQYJBWEW-FXAWDEMLSA-N 1 0 345.487 1.818 20 10 EDCDRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1ccccc1O ZINC000111235666 533227971 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CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(Cl)c(C)cc3O)CCN2C1=O ZINC000824920768 594097514 /nfs/dbraw/zinc/09/75/14/594097514.db2.gz XMTJCFNUUFCOLX-ZDUSSCGKSA-N 1 0 337.807 1.822 20 10 EDCDRO O=C(NCc1c(O)ccc2c1CCCC2)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000830597865 594433489 /nfs/dbraw/zinc/43/34/89/594433489.db2.gz URLWTSNHLNJKBK-GOOCMWNKSA-N 1 0 342.439 1.702 20 10 EDCDRO O=C(C[C@@H]1COCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003072 594546667 /nfs/dbraw/zinc/54/66/67/594546667.db2.gz IIBWYZIOKWAXNC-CVEARBPZSA-N 1 0 334.416 1.278 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000831158264 594571224 /nfs/dbraw/zinc/57/12/24/594571224.db2.gz DSSQDLLIJKRHSG-QRVBRYPASA-N 1 0 345.487 1.994 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c1O ZINC000826943699 594607244 /nfs/dbraw/zinc/60/72/44/594607244.db2.gz YNUPDSSJBZMGRX-HNNXBMFYSA-N 1 0 331.796 1.312 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000829504618 594627783 /nfs/dbraw/zinc/62/77/83/594627783.db2.gz GPXASGZSVAQANL-MRXNPFEDSA-N 1 0 346.475 1.076 20 10 EDCDRO CCN(CC)c1ccc(CN(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC000827157421 594648979 /nfs/dbraw/zinc/64/89/79/594648979.db2.gz BITRJWUEPQQQNU-UHFFFAOYSA-N 1 0 334.508 1.985 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OC ZINC000827173151 594650392 /nfs/dbraw/zinc/65/03/92/594650392.db2.gz VSBMBZZXNCCZNL-PWSUYJOCSA-N 1 0 329.418 1.465 20 10 EDCDRO [NH3+]C1(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000827364189 594665007 /nfs/dbraw/zinc/66/50/07/594665007.db2.gz FIBBPTJZXFQEFQ-UHFFFAOYSA-N 1 0 335.423 1.675 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CC(C)C)cc2)CC1 ZINC000832172130 594732100 /nfs/dbraw/zinc/73/21/00/594732100.db2.gz DAHZZXYRHDZWNA-GOSISDBHSA-N 1 0 346.475 1.345 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCCCCCC2=O)cc1 ZINC000832273221 594739576 /nfs/dbraw/zinc/73/95/76/594739576.db2.gz LYFFCSGVGMUULZ-QGZVFWFLSA-N 1 0 346.475 1.661 20 10 EDCDRO C[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283942 594740173 /nfs/dbraw/zinc/74/01/73/594740173.db2.gz DKTLGKJQCQVCNA-SWLSCSKDSA-N 1 0 344.415 1.280 20 10 EDCDRO Cc1cc(C)n(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832293364 594740734 /nfs/dbraw/zinc/74/07/34/594740734.db2.gz VNDHMMJPCQYOBW-QGZVFWFLSA-N 1 0 329.448 1.772 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2n[nH]c3c2CCCC3)cc1 ZINC000832299554 594741165 /nfs/dbraw/zinc/74/11/65/594741165.db2.gz DCCRYUDRPRHQST-OAHLLOKOSA-N 1 0 327.432 1.784 20 10 EDCDRO CNS(=O)(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840918061 594827758 /nfs/dbraw/zinc/82/77/58/594827758.db2.gz PRLSZDQABOFCPV-UHFFFAOYSA-N 1 0 325.478 1.575 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000840974603 594834487 /nfs/dbraw/zinc/83/44/87/594834487.db2.gz COSKFJJOVFFTRH-AAEUAGOBSA-N 1 0 330.222 1.638 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)cc1 ZINC000841004492 594837710 /nfs/dbraw/zinc/83/77/10/594837710.db2.gz IQRGHWYZCQQNIA-KRWDZBQOSA-N 1 0 344.503 1.914 20 10 EDCDRO C[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000841740848 594945812 /nfs/dbraw/zinc/94/58/12/594945812.db2.gz KPQHZVWWOQZIEY-KTAKPFMOSA-N 1 0 332.448 1.715 20 10 EDCDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccc(N)cc3)C2)CC1 ZINC000841819963 594957977 /nfs/dbraw/zinc/95/79/77/594957977.db2.gz HEIMBOYUANOSBO-KRWDZBQOSA-N 1 0 345.491 1.279 20 10 EDCDRO COc1ccc(CNC(=O)Nc2ccnn2CC[NH+](C)C)c(O)c1 ZINC000836700973 594989789 /nfs/dbraw/zinc/98/97/89/594989789.db2.gz YUDBMPQOFIDBHQ-UHFFFAOYSA-N 1 0 333.392 1.481 20 10 EDCDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842037219 595006768 /nfs/dbraw/zinc/00/67/68/595006768.db2.gz XRLMWGXQIWHMGH-XJKSGUPXSA-N 1 0 332.448 1.097 20 10 EDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170492 595028567 /nfs/dbraw/zinc/02/85/67/595028567.db2.gz HBWJTPCSEJZOAT-MRXNPFEDSA-N 1 0 344.459 1.313 20 10 EDCDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203958 595038352 /nfs/dbraw/zinc/03/83/52/595038352.db2.gz ZIYDQNNBUBXJBN-GRDNDAEWSA-N 1 0 346.475 1.658 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000842206434 595039021 /nfs/dbraw/zinc/03/90/21/595039021.db2.gz GKKRTHPNXMRIHL-WMLDXEAASA-N 1 0 346.475 1.263 20 10 EDCDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842214342 595041220 /nfs/dbraw/zinc/04/12/20/595041220.db2.gz PJGYSCFVRDYDKM-WMLDXEAASA-N 1 0 344.459 1.017 20 10 EDCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842214681 595041747 /nfs/dbraw/zinc/04/17/47/595041747.db2.gz OHWJVSFMAXCXII-HNNXBMFYSA-N 1 0 346.475 1.345 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000842266636 595060062 /nfs/dbraw/zinc/06/00/62/595060062.db2.gz WIJPHUDQVKHSIP-ZFWWWQNUSA-N 1 0 333.432 1.245 20 10 EDCDRO COc1cc(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1OC ZINC000843428663 595108444 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CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cn3ccccc3n2)cc1 ZINC000844162681 595287824 /nfs/dbraw/zinc/28/78/24/595287824.db2.gz LYULZDGBJBMAMS-KRWDZBQOSA-N 1 0 337.427 1.759 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2cnc3ccccc32)cc1 ZINC000844162459 595288109 /nfs/dbraw/zinc/28/81/09/595288109.db2.gz DAAMVRXSEZFCPD-INIZCTEOSA-N 1 0 337.427 1.919 20 10 EDCDRO COc1cc(Br)cc(CN2CCN(C)C[C@@H]2C[NH3+])c1O ZINC000843120425 595291816 /nfs/dbraw/zinc/29/18/16/595291816.db2.gz KGIFTDAFJOGAQU-LBPRGKRZSA-N 1 0 344.253 1.238 20 10 EDCDRO CC1(OCC(=O)NCc2ccc(N3CCSCC3)cc2)C[NH2+]C1 ZINC000844173775 595291875 /nfs/dbraw/zinc/29/18/75/595291875.db2.gz WQHDGTLSSHCLGS-UHFFFAOYSA-N 1 0 335.473 1.235 20 10 EDCDRO C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000844218425 595304949 /nfs/dbraw/zinc/30/49/49/595304949.db2.gz ACGZQSHLYZYHGA-YJBOKZPZSA-N 1 0 332.492 1.770 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848410654 595374927 /nfs/dbraw/zinc/37/49/27/595374927.db2.gz IHKDBOQGHZDTQW-KXBFYZLASA-N 1 0 347.434 1.668 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000847304629 595391561 /nfs/dbraw/zinc/39/15/61/595391561.db2.gz XGKVNEYSUMEKHE-UHFFFAOYSA-N 1 0 329.448 1.783 20 10 EDCDRO CCc1cccc(C[NH+]2CCN(Cc3nc(COC)no3)CC2)c1O ZINC000848905648 595465548 /nfs/dbraw/zinc/46/55/48/595465548.db2.gz LXFZWOAZJMIEKL-UHFFFAOYSA-N 1 0 346.431 1.802 20 10 EDCDRO CCCCNC(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000849070663 595477863 /nfs/dbraw/zinc/47/78/63/595477863.db2.gz RYVJWOHOJFKDRF-HNNXBMFYSA-N 1 0 331.464 1.802 20 10 EDCDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000849562753 595570055 /nfs/dbraw/zinc/57/00/55/595570055.db2.gz HAGGHNOAXPGMOO-CABCVRRESA-N 1 0 344.415 1.183 20 10 EDCDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000852860669 595581874 /nfs/dbraw/zinc/58/18/74/595581874.db2.gz UIKMWWVFBCJSKW-JKSUJKDBSA-N 1 0 335.473 1.220 20 10 EDCDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000852860663 595581897 /nfs/dbraw/zinc/58/18/97/595581897.db2.gz UIKMWWVFBCJSKW-CVEARBPZSA-N 1 0 335.473 1.220 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852866998 595586814 /nfs/dbraw/zinc/58/68/14/595586814.db2.gz OYBMVRSBEIRDLS-ZWKOTPCHSA-N 1 0 331.460 1.903 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000852869012 595588666 /nfs/dbraw/zinc/58/86/66/595588666.db2.gz SSWCPPPRHURGDE-QUCCMNQESA-N 1 0 343.471 1.654 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]CCC(=O)N2CCN(C)CC2)cc1F ZINC000858126352 595706791 /nfs/dbraw/zinc/70/67/91/595706791.db2.gz YWAKJUJRUCETNA-UHFFFAOYSA-N 1 0 340.418 1.285 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000853244197 595717748 /nfs/dbraw/zinc/71/77/48/595717748.db2.gz GUNKOZNADLIKLQ-SFHVURJKSA-N 1 0 346.475 1.493 20 10 EDCDRO COc1cc(C[NH2+]CCCNS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850020262 595719942 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C[NH+]1CCN(c2ccc(CNC(=O)c3cn(C4CC4)nn3)cc2)CC1 ZINC000881855009 597757108 /nfs/dbraw/zinc/75/71/08/597757108.db2.gz OBCVUUJZRWWSPG-UHFFFAOYSA-N 1 0 340.431 1.295 20 10 EDCDRO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000880565778 597965639 /nfs/dbraw/zinc/96/56/39/597965639.db2.gz OYLMUSLNJVTFMI-LJQANCHMSA-N 1 0 348.443 1.412 20 10 EDCDRO CNC(=O)c1cccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880554 598094032 /nfs/dbraw/zinc/09/40/32/598094032.db2.gz YBWMRMDCPCHOCH-UHFFFAOYSA-N 1 0 339.443 1.805 20 10 EDCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153003655 695483339 /nfs/dbraw/zinc/48/33/39/695483339.db2.gz AVSQMDMAFGYEQR-KRWDZBQOSA-N 1 0 330.388 1.293 20 10 EDCDRO C[NH2+]CCC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000324653695 696617512 /nfs/dbraw/zinc/61/75/12/696617512.db2.gz JTKVXSKDTXBGMW-UHFFFAOYSA-N 1 0 334.376 1.752 20 10 EDCDRO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3nnc[nH]3)CC2)cc1C ZINC000997166243 703457092 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C[C@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC[NH2+]C1 ZINC000237572716 249302713 /nfs/dbraw/zinc/30/27/13/249302713.db2.gz HEDKDWUZAUAGQC-FQEVSTJZSA-N 1 0 345.487 1.901 20 10 EDCDRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372446645 250220745 /nfs/dbraw/zinc/22/07/45/250220745.db2.gz MVQVVADLHXZCFG-UHFFFAOYSA-N 1 0 334.464 1.399 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 ZINC000377746443 286339187 /nfs/dbraw/zinc/33/91/87/286339187.db2.gz OUHCUCBSQXICKQ-XBLNEZIDSA-N 1 0 334.416 1.878 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419701079 447358839 /nfs/dbraw/zinc/35/88/39/447358839.db2.gz AHHZXLRNUHNNGG-ZFWWWQNUSA-N 1 0 342.443 1.360 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000419701077 447359400 /nfs/dbraw/zinc/35/94/00/447359400.db2.gz AHHZXLRNUHNNGG-UKRRQHHQSA-N 1 0 342.443 1.360 20 10 EDCDRO COc1ccc(N2CCC([N@H+](C)CC(=O)N3CCNC3=O)CC2)cc1 ZINC000072801134 441261200 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CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000282976692 443485944 /nfs/dbraw/zinc/48/59/44/443485944.db2.gz DCVWCTPTEXTXBU-UONOGXRCSA-N 1 0 335.448 1.546 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000270206343 443463314 /nfs/dbraw/zinc/46/33/14/443463314.db2.gz XSYLZILRGHMMLW-SJLPKXTDSA-N 1 0 333.476 1.804 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2nccn2C)c1 ZINC000279983308 443652848 /nfs/dbraw/zinc/65/28/48/443652848.db2.gz REQMSAXPUUNRLX-GJZGRUSLSA-N 1 0 348.422 1.837 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000287776047 443756924 /nfs/dbraw/zinc/75/69/24/443756924.db2.gz NACCWXIGPCYPPF-UHFFFAOYSA-N 1 0 346.475 1.312 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@@H]1CCCCO1)cc2=O ZINC000299072160 443946320 /nfs/dbraw/zinc/94/63/20/443946320.db2.gz PQNZBEVBCHSWCP-ZDUSSCGKSA-N 1 0 348.403 1.613 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)CC[C@@H](C)[NH3+])CC2)cc1 ZINC000277418545 443985423 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/nfs/dbraw/zinc/16/60/06/529166006.db2.gz ZZINTVDNETVHPE-MRXNPFEDSA-N 1 0 328.478 1.855 20 10 EDCDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000732284676 578702816 /nfs/dbraw/zinc/70/28/16/578702816.db2.gz XMFUTZBTDZBXKB-UHFFFAOYSA-N 1 0 347.440 1.675 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1)cc2=O ZINC000760875216 580040396 /nfs/dbraw/zinc/04/03/96/580040396.db2.gz MNTMCPLMHCMPMH-VXGBXAGGSA-N 1 0 348.403 1.204 20 10 EDCDRO C[NH+]1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000760938918 580041944 /nfs/dbraw/zinc/04/19/44/580041944.db2.gz LWBOEHRXEDULRK-UHFFFAOYSA-N 1 0 337.807 1.904 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@H]3C)CC2)cc1 ZINC000754051386 579895029 /nfs/dbraw/zinc/89/50/29/579895029.db2.gz UEKSJZCEANYSKN-AEFFLSMTSA-N 1 0 333.476 1.662 20 10 EDCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000764750686 580128011 /nfs/dbraw/zinc/12/80/11/580128011.db2.gz NCVBFJYPRCKLBZ-AWEZNQCLSA-N 1 0 338.473 1.688 20 10 EDCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768445021 580213084 /nfs/dbraw/zinc/21/30/84/580213084.db2.gz PVEJVZQAEQHIPJ-CXAGYDPISA-N 1 0 348.443 1.802 20 10 EDCDRO COCCCOC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768449441 580213335 /nfs/dbraw/zinc/21/33/35/580213335.db2.gz ZGLCRUQANWPNRV-QGZVFWFLSA-N 1 0 337.416 1.836 20 10 EDCDRO CCOc1ccc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)c(O)c1 ZINC000769467611 580237816 /nfs/dbraw/zinc/23/78/16/580237816.db2.gz YJBLJYBFKOVRJT-UHFFFAOYSA-N 1 0 344.415 1.207 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)c1 ZINC000769531458 580239347 /nfs/dbraw/zinc/23/93/47/580239347.db2.gz ATOBNUKOFIYSPK-ZDUSSCGKSA-N 1 0 328.434 1.305 20 10 EDCDRO C[C@@H]1[C@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000771462848 580287323 /nfs/dbraw/zinc/28/73/23/580287323.db2.gz WSYKMONDBDXQLM-CVEARBPZSA-N 1 0 332.492 1.735 20 10 EDCDRO C=Cn1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 ZINC000774975844 580379596 /nfs/dbraw/zinc/37/95/96/580379596.db2.gz DBWJQHOBGHGIQF-KRWDZBQOSA-N 1 0 339.443 1.975 20 10 EDCDRO COCCCNC(=O)CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775646907 580396215 /nfs/dbraw/zinc/39/62/15/580396215.db2.gz LNUBEPDQMLLTQH-UHFFFAOYSA-N 1 0 348.491 1.023 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000779217438 580481370 /nfs/dbraw/zinc/48/13/70/580481370.db2.gz HLCAQVYSESIQLL-HKUYNNGSSA-N 1 0 347.503 1.910 20 10 EDCDRO C[N@@H+]1CCCN(CCCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779519030 580487712 /nfs/dbraw/zinc/48/77/12/580487712.db2.gz AYKACRDLWMIMOS-ALCCZGGFSA-N 1 0 333.432 1.255 20 10 EDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000785466014 580645170 /nfs/dbraw/zinc/64/51/70/580645170.db2.gz LHRHLQKJXFEGIP-HNNXBMFYSA-N 1 0 340.514 1.764 20 10 EDCDRO C[N@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793570406 580847962 /nfs/dbraw/zinc/84/79/62/580847962.db2.gz VEGUZMQVONTQSC-CYBMUJFWSA-N 1 0 335.429 1.406 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC(C)(F)C3)CC2)cc1 ZINC000795544994 580928307 /nfs/dbraw/zinc/92/83/07/580928307.db2.gz UHLBOBNODCLCGW-MRXNPFEDSA-N 1 0 337.439 1.222 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3c(C)cnn3C)CC2)cc1 ZINC000796275901 580949793 /nfs/dbraw/zinc/94/97/93/580949793.db2.gz IQAUTDIPNIRRQT-UHFFFAOYSA-N 1 0 343.475 1.649 20 10 EDCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000796514285 580955509 /nfs/dbraw/zinc/95/55/09/580955509.db2.gz XLTQFQAPAASQNP-CQSZACIVSA-N 1 0 342.461 1.695 20 10 EDCDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(F)ccc1O ZINC000797121502 580968610 /nfs/dbraw/zinc/96/86/10/580968610.db2.gz ZWJFMNOEQISJMW-YPMHNXCESA-N 1 0 330.425 1.996 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NCC[NH2+]C3CC3)CC2)c(OC)c1 ZINC000891988183 590730581 /nfs/dbraw/zinc/73/05/81/590730581.db2.gz BUIUDISSSANCNZ-UHFFFAOYSA-N 1 0 348.447 1.287 20 10 EDCDRO Cn1cc(/C=C\C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000893607794 591005435 /nfs/dbraw/zinc/00/54/35/591005435.db2.gz LKDXAZZNWFPYEM-YVMONPNESA-N 1 0 339.443 1.502 20 10 EDCDRO COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC000891243903 591014453 /nfs/dbraw/zinc/01/44/53/591014453.db2.gz VGXHLZMHIUALRS-MRXNPFEDSA-N 1 0 343.431 1.584 20 10 EDCDRO C=CC(=O)NCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254120 591020777 /nfs/dbraw/zinc/02/07/77/591020777.db2.gz VSBNVMRQKSCGKB-MRXNPFEDSA-N 1 0 332.448 1.164 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[NH+](C)C)cc1 ZINC000891254647 591021365 /nfs/dbraw/zinc/02/13/65/591021365.db2.gz ZUXBJWIZBYFNOO-MRXNPFEDSA-N 1 0 343.431 1.212 20 10 EDCDRO Cn1ccn2c(CC[NH2+]Cc3cccc(Cl)c3[O-])nnc2c1=O ZINC000895788782 591272788 /nfs/dbraw/zinc/27/27/88/591272788.db2.gz HCBCYXLEXSNHEX-UHFFFAOYSA-N 1 0 333.779 1.119 20 10 EDCDRO Cc1cc(O)c(C[NH+]2CCC(O)(COCCO)CC2)cc1Cl ZINC000895829067 591283868 /nfs/dbraw/zinc/28/38/68/591283868.db2.gz NIKCIBFFGBWDIJ-UHFFFAOYSA-N 1 0 329.824 1.690 20 10 EDCDRO COc1nccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449308 591353090 /nfs/dbraw/zinc/35/30/90/591353090.db2.gz ATDSSGMZUJKOEY-QGZVFWFLSA-N 1 0 329.448 1.944 20 10 EDCDRO CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H](C)O ZINC000899097918 591676279 /nfs/dbraw/zinc/67/62/79/591676279.db2.gz IUOFKJZXGOYBRW-XOKHGSTOSA-N 1 0 336.480 1.814 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](CO)C2)[NH+](C)C)cc1 ZINC000899102238 591682787 /nfs/dbraw/zinc/68/27/87/591682787.db2.gz OOYMPOUXBGIXID-YJBOKZPZSA-N 1 0 348.491 1.769 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCC[C@@H]2O)[NH+](C)C)cc1 ZINC000899098212 591688037 /nfs/dbraw/zinc/68/80/37/591688037.db2.gz MHNPJXXLRDOCLV-NXHRZFHOSA-N 1 0 348.491 1.816 20 10 EDCDRO COc1ccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c(O)c1OC ZINC000898050415 591755209 /nfs/dbraw/zinc/75/52/09/591755209.db2.gz UXQYGZAHJQVGSB-SFHVURJKSA-N 1 0 347.415 1.938 20 10 EDCDRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CO1 ZINC000895525310 591788731 /nfs/dbraw/zinc/78/87/31/591788731.db2.gz SYQKPYACUAQOQZ-KMFMINBZSA-N 1 0 334.464 1.832 20 10 EDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000895583754 591810138 /nfs/dbraw/zinc/81/01/38/591810138.db2.gz ZIJUBOSLOUCMMW-ZDUSSCGKSA-N 1 0 326.462 1.850 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[N@H+](CC(=O)[O-])C3CCOCC3)cc2)CC1 ZINC000901984174 591884611 /nfs/dbraw/zinc/88/46/11/591884611.db2.gz KWAZDMXRXBJUQL-UHFFFAOYSA-N 1 0 347.459 1.504 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)[C@H]3COCCN3C2=O)[NH+](C)C)cc1 ZINC000900185876 591932980 /nfs/dbraw/zinc/93/29/80/591932980.db2.gz UCTNLUZWHBIIAO-HZPDHXFCSA-N 1 0 346.431 1.018 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@H](C3CC3)C2=O)[NH+](C)C)cc1 ZINC000900185902 591933278 /nfs/dbraw/zinc/93/32/78/591933278.db2.gz UHJQOKPSPRFYAA-HZPDHXFCSA-N 1 0 330.432 1.686 20 10 EDCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517386 592009118 /nfs/dbraw/zinc/00/91/18/592009118.db2.gz LJGLEOHHSPEUIT-SUMDDJOVSA-N 1 0 334.508 1.712 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@H]3OC)CC2)cc1 ZINC000903081293 592116830 /nfs/dbraw/zinc/11/68/30/592116830.db2.gz KXEZGFUSGNFYHM-RBUKOAKNSA-N 1 0 333.476 1.974 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484859 592177663 /nfs/dbraw/zinc/17/76/63/592177663.db2.gz XDNZIJRRMSZKDF-QGZVFWFLSA-N 1 0 330.476 1.633 20 10 EDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000907272664 592567896 /nfs/dbraw/zinc/56/78/96/592567896.db2.gz HJSOGMWHNYXXLD-GFCCVEGCSA-N 1 0 334.416 1.256 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3=CC(=O)CS3)cn2)CC1 ZINC000731865910 592927976 /nfs/dbraw/zinc/92/79/76/592927976.db2.gz ATTNFMCUYOOBOL-UHFFFAOYSA-N 1 0 332.429 1.531 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911632410 592970089 /nfs/dbraw/zinc/97/00/89/592970089.db2.gz HBJGUINTRPIPPV-SFHVURJKSA-N 1 0 330.476 1.539 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2OC(=O)C3)cc1 ZINC000911665940 592973618 /nfs/dbraw/zinc/97/36/18/592973618.db2.gz GCYNCRONMCYBRY-INIZCTEOSA-N 1 0 339.395 1.644 20 10 EDCDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000103461777 593302995 /nfs/dbraw/zinc/30/29/95/593302995.db2.gz PSOUNAZTVGCSCF-UHFFFAOYSA-N 1 0 345.487 1.867 20 10 EDCDRO CNC(=O)CN1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816534390 593530470 /nfs/dbraw/zinc/53/04/70/593530470.db2.gz GZIGSWZXPOAROM-UHFFFAOYSA-N 1 0 327.428 1.845 20 10 EDCDRO C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000817832180 593638788 /nfs/dbraw/zinc/63/87/88/593638788.db2.gz APIGSHZRUPLROK-WMLDXEAASA-N 1 0 346.475 1.482 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000817910334 593647844 /nfs/dbraw/zinc/64/78/44/593647844.db2.gz RHEMEWBUDXUWAF-UHFFFAOYSA-N 1 0 344.459 1.032 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccnc(C[NH3+])c3)C2)cc1 ZINC000818613109 593707922 /nfs/dbraw/zinc/70/79/22/593707922.db2.gz FNBYVIUJSHGAEK-AWEZNQCLSA-N 1 0 340.427 1.805 20 10 EDCDRO CCS(=O)(=O)CC[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819380366 593752810 /nfs/dbraw/zinc/75/28/10/593752810.db2.gz POBSDNFZIGMDBA-AWEZNQCLSA-N 1 0 326.462 1.546 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000840481635 593830934 /nfs/dbraw/zinc/83/09/34/593830934.db2.gz KVASDRVZVADVIF-KXBFYZLASA-N 1 0 348.491 1.358 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)C2)cc1 ZINC000823679904 593832808 /nfs/dbraw/zinc/83/28/08/593832808.db2.gz CXULOVWPBFOWFC-LSDHHAIUSA-N 1 0 334.464 1.771 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2CCO)c1O ZINC000824584272 594042715 /nfs/dbraw/zinc/04/27/15/594042715.db2.gz ZWWBOMIWOWVVQU-AWEZNQCLSA-N 1 0 328.840 1.991 20 10 EDCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000824892738 594091778 /nfs/dbraw/zinc/09/17/78/594091778.db2.gz AVJYPPRNKJBOGK-AOOOYVTPSA-N 1 0 339.189 1.168 20 10 EDCDRO CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823548829 594216065 /nfs/dbraw/zinc/21/60/65/594216065.db2.gz YBPXPHIWESCAQT-UHFFFAOYSA-N 1 0 334.464 1.351 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1Cl ZINC000825893087 594270937 /nfs/dbraw/zinc/27/09/37/594270937.db2.gz OHGUPAFSKHKHKR-UHFFFAOYSA-N 1 0 337.807 1.964 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000831650539 594689896 /nfs/dbraw/zinc/68/98/96/594689896.db2.gz UTQSJBAWZKCVMC-AZUAARDMSA-N 1 0 345.487 1.756 20 10 EDCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832173948 594732389 /nfs/dbraw/zinc/73/23/89/594732389.db2.gz YVHQFENDXUMULL-LJQANCHMSA-N 1 0 346.475 1.489 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2c[nH]c3ncccc23)cc1 ZINC000832267207 594739106 /nfs/dbraw/zinc/73/91/06/594739106.db2.gz OEQAPHJTLVJACZ-QGZVFWFLSA-N 1 0 337.427 1.988 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2c1c(F)ccc2O ZINC000840896453 594824559 /nfs/dbraw/zinc/82/45/59/594824559.db2.gz JFJSODLLAYSVHP-PWSUYJOCSA-N 1 0 347.394 1.840 20 10 EDCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000841709968 594941240 /nfs/dbraw/zinc/94/12/40/594941240.db2.gz QRSHQXSJFYSNEL-KRWDZBQOSA-N 1 0 332.448 1.465 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000841720026 594943120 /nfs/dbraw/zinc/94/31/20/594943120.db2.gz SMBCJYAKDIGNSW-YOEHRIQHSA-N 1 0 334.464 1.790 20 10 EDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841731012 594944995 /nfs/dbraw/zinc/94/49/95/594944995.db2.gz WQFCNKWDAQOQFM-KRWDZBQOSA-N 1 0 332.448 1.417 20 10 EDCDRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1O ZINC000841747250 594947541 /nfs/dbraw/zinc/94/75/41/594947541.db2.gz DVWNBKLKLXKOGT-NSHDSACASA-N 1 0 348.852 1.358 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000841778480 594950450 /nfs/dbraw/zinc/95/04/50/594950450.db2.gz BWUZALYJNNTQHF-UHFFFAOYSA-N 1 0 332.448 1.715 20 10 EDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841831209 594959137 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CCN(CC)c1ccc(CNC(=O)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000842206732 595039002 /nfs/dbraw/zinc/03/90/02/595039002.db2.gz KBMYTHKYQDSXQO-UHFFFAOYSA-N 1 0 332.448 1.017 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000842207596 595039685 /nfs/dbraw/zinc/03/96/85/595039685.db2.gz OAOSTJRUUCBNMP-INIZCTEOSA-N 1 0 332.448 1.003 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)CC[NH3+])cc1F ZINC000842209816 595039990 /nfs/dbraw/zinc/03/99/90/595039990.db2.gz OVDILZYNUCQIKJ-GFCCVEGCSA-N 1 0 338.427 1.142 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[NH2+]C)cc1F ZINC000842209539 595040029 /nfs/dbraw/zinc/04/00/29/595040029.db2.gz KHGMTRRAGFOJKM-UHFFFAOYSA-N 1 0 338.427 1.014 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1F ZINC000842209819 595040255 /nfs/dbraw/zinc/04/02/55/595040255.db2.gz OVOLWNPIUUCZCK-LBPRGKRZSA-N 1 0 338.427 1.094 20 10 EDCDRO C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842212746 595041068 /nfs/dbraw/zinc/04/10/68/595041068.db2.gz ASETVBWIRSQWGR-AWEZNQCLSA-N 1 0 332.448 1.003 20 10 EDCDRO Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000842237525 595049020 /nfs/dbraw/zinc/04/90/20/595049020.db2.gz DIYWLMMCAQAWNR-QGZVFWFLSA-N 1 0 344.459 1.014 20 10 EDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000843260127 595055785 /nfs/dbraw/zinc/05/57/85/595055785.db2.gz UULWZQBOJQBLQI-UONOGXRCSA-N 1 0 332.448 1.145 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCc3ncncc3C2)cc1 ZINC000843297749 595066287 /nfs/dbraw/zinc/06/62/87/595066287.db2.gz KUBLSUCOJKQADK-RHSMWYFYSA-N 1 0 339.443 1.464 20 10 EDCDRO Cc1nn(C)c(Cl)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299356 595066493 /nfs/dbraw/zinc/06/64/93/595066493.db2.gz RVSDTPUEHKAYPN-ZDUSSCGKSA-N 1 0 335.839 1.878 20 10 EDCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843429430 595108799 /nfs/dbraw/zinc/10/87/99/595108799.db2.gz VNGAXGLKUBJMED-WLMCBFPDSA-N 1 0 330.476 1.818 20 10 EDCDRO [NH3+][C@H](CC(F)F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843484085 595126042 /nfs/dbraw/zinc/12/60/42/595126042.db2.gz HVPURGSQLKPUHY-QWHCGFSZSA-N 1 0 328.359 1.882 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)c1O ZINC000846154599 595159936 /nfs/dbraw/zinc/15/99/36/595159936.db2.gz OCVWZOAVQOHUJO-OCCSQVGLSA-N 1 0 344.415 1.899 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000846344060 595212081 /nfs/dbraw/zinc/21/20/81/595212081.db2.gz NSGTZERKLKFIPQ-CYBMUJFWSA-N 1 0 332.448 1.175 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000835035104 595250286 /nfs/dbraw/zinc/25/02/86/595250286.db2.gz FNLRSHUNEOGDQF-SNAWJCMRSA-N 1 0 337.489 1.779 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000846674902 595298460 /nfs/dbraw/zinc/29/84/60/595298460.db2.gz XOXNBBKQWIWBOT-CQSZACIVSA-N 1 0 335.423 1.873 20 10 EDCDRO C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000844221046 595306338 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COC[C@H](C)NC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849069515 595477448 /nfs/dbraw/zinc/47/74/48/595477448.db2.gz PGGNEEWYIRSACH-DZGCQCFKSA-N 1 0 347.463 1.037 20 10 EDCDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccccc2O)cn1 ZINC000849565298 595571549 /nfs/dbraw/zinc/57/15/49/595571549.db2.gz SRUFBSLJEAETOD-HZPDHXFCSA-N 1 0 328.416 1.477 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852855977 595578273 /nfs/dbraw/zinc/57/82/73/595578273.db2.gz SBSRIRZRICMVTR-MRXNPFEDSA-N 1 0 342.447 1.589 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1F ZINC000858118372 595704230 /nfs/dbraw/zinc/70/42/30/595704230.db2.gz YECPEAUFBKFHMK-LBPRGKRZSA-N 1 0 347.431 1.544 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]CCCN2CCCS2(=O)=O)cc1F ZINC000858127074 595706975 /nfs/dbraw/zinc/70/69/75/595706975.db2.gz SMULTYIHQOWNNF-UHFFFAOYSA-N 1 0 347.431 1.546 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000858183685 595723090 /nfs/dbraw/zinc/72/30/90/595723090.db2.gz CQZDAOMXPYYZOK-NSHDSACASA-N 1 0 333.404 1.154 20 10 EDCDRO C[C@H]1CN(c2ccc(CNc3nc(N)[nH+]c(N)n3)cc2F)C[C@H](C)O1 ZINC000858353960 595772450 /nfs/dbraw/zinc/77/24/50/595772450.db2.gz FHRIACKMYWOKOP-UWVGGRQHSA-N 1 0 347.398 1.401 20 10 EDCDRO CC[N@@H+]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000852167495 596067812 /nfs/dbraw/zinc/06/78/12/596067812.db2.gz UOINOWBACVOVEA-MRXNPFEDSA-N 1 0 332.492 1.785 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCC2(F)F)cc1 ZINC000866756963 596325238 /nfs/dbraw/zinc/32/52/38/596325238.db2.gz FAZVLEQJDTWKCE-JSGCOSHPSA-N 1 0 347.431 1.717 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC(=O)O3)cc2F)CC1 ZINC000865201362 596514529 /nfs/dbraw/zinc/51/45/29/596514529.db2.gz FAGQMSBMBAWBLB-MRXNPFEDSA-N 1 0 349.406 1.289 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)c2ccc(N)cc2)C1 ZINC000863558476 596618492 /nfs/dbraw/zinc/61/84/92/596618492.db2.gz KGYZJQBJBWJYOG-QGZVFWFLSA-N 1 0 334.464 1.178 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COCc2cccnc2)cc1 ZINC000863585423 596627464 /nfs/dbraw/zinc/62/74/64/596627464.db2.gz YCSWYNYCVGMUOP-KRWDZBQOSA-N 1 0 328.416 1.480 20 10 EDCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccc(N(C)C)cc1 ZINC000866439019 596887188 /nfs/dbraw/zinc/88/71/88/596887188.db2.gz DFXXDEBXYVVIBR-XEZPLFJOSA-N 1 0 335.448 1.860 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000866440347 596887392 /nfs/dbraw/zinc/88/73/92/596887392.db2.gz PNGCTHFQQUGSDB-GUBZILKMSA-N 1 0 328.796 1.762 20 10 EDCDRO COc1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1Cn1cccn1 ZINC000873050023 597171354 /nfs/dbraw/zinc/17/13/54/597171354.db2.gz PQFJYRCBGQJBMC-ZDUSSCGKSA-N 1 0 337.445 1.463 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1Cn1cccn1 ZINC000873122786 597203664 /nfs/dbraw/zinc/20/36/64/597203664.db2.gz WFPAOWNZQCHDCX-SUMWQHHRSA-N 1 0 328.416 1.554 20 10 EDCDRO COCCn1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000876506130 597224315 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O=C1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CN1C1CC1 ZINC000877158774 597446828 /nfs/dbraw/zinc/44/68/28/597446828.db2.gz XJXBRIZIRAXCFM-HNNXBMFYSA-N 1 0 329.444 1.501 20 10 EDCDRO CCC[C@](C)([NH3+])C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227950 597468391 /nfs/dbraw/zinc/46/83/91/597468391.db2.gz RBYVAIFKLUWADL-SFHVURJKSA-N 1 0 335.448 1.870 20 10 EDCDRO COc1cc(Cl)cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1O ZINC000877668605 597546458 /nfs/dbraw/zinc/54/64/58/597546458.db2.gz SAOXRVQXNDJKFK-HZPDHXFCSA-N 1 0 338.791 1.539 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000877680594 597547229 /nfs/dbraw/zinc/54/72/29/597547229.db2.gz XDXUKORKXZAQTE-UWVGGRQHSA-N 1 0 328.796 1.510 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877722640 597551244 /nfs/dbraw/zinc/55/12/44/597551244.db2.gz DDTJHGVTHDFUAP-CRAIPNDOSA-N 1 0 348.443 1.315 20 10 EDCDRO C[C@@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccccc1O ZINC000877756295 597553319 /nfs/dbraw/zinc/55/33/19/597553319.db2.gz FSKPTSLBNJBNQR-CQSZACIVSA-N 1 0 327.432 1.785 20 10 EDCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CN1CC1CC1 ZINC000883403881 597733348 /nfs/dbraw/zinc/73/33/48/597733348.db2.gz HOXDOMCXSOWKJD-KRWDZBQOSA-N 1 0 329.444 1.624 20 10 EDCDRO C[C@@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)n1cccn1 ZINC000881853299 597756271 /nfs/dbraw/zinc/75/62/71/597756271.db2.gz QFKTZINYUBCHPX-INIZCTEOSA-N 1 0 341.459 1.902 20 10 EDCDRO COC(C)(C)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883470826 597762331 /nfs/dbraw/zinc/76/23/31/597762331.db2.gz JGGSFVQGXBXJKH-UHFFFAOYSA-N 1 0 334.464 1.663 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCN3CCOCC3)CC2)c(OC)c1 ZINC000879461888 597923832 /nfs/dbraw/zinc/92/38/32/597923832.db2.gz INYWZHOKEVVPLX-UHFFFAOYSA-N 1 0 349.475 1.548 20 10 EDCDRO COc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CC3)C2)cc(OC)n1 ZINC000995018393 700010359 /nfs/dbraw/zinc/01/03/59/700010359.db2.gz ZFTCIDZISZZKGB-UKRRQHHQSA-N 1 0 333.432 1.997 20 10 EDCDRO CCO[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C[NH+](C)C ZINC000915390978 695807447 /nfs/dbraw/zinc/80/74/47/695807447.db2.gz WVSUXUPKMBJOSQ-QGZVFWFLSA-N 1 0 348.491 1.835 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000919657624 697311923 /nfs/dbraw/zinc/31/19/23/697311923.db2.gz SKEIDNRUKUQDIM-KRWDZBQOSA-N 1 0 346.475 1.759 20 10 EDCDRO Cc1cc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)n2ncnc2n1 ZINC000179931849 698469377 /nfs/dbraw/zinc/46/93/77/698469377.db2.gz QWMLWQRVEIJQJC-UHFFFAOYSA-N 1 0 342.378 1.600 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)cc1C ZINC000995130906 701396452 /nfs/dbraw/zinc/39/64/52/701396452.db2.gz PRVFGAQYGIEPHT-LSDHHAIUSA-N 1 0 343.431 1.810 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1 ZINC000922636896 704165988 /nfs/dbraw/zinc/16/59/88/704165988.db2.gz LJEYHBYTENSAHF-SREVYHEPSA-N 1 0 325.478 1.683 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cn[nH]n3)C2)cc1C ZINC000999589845 707093810 /nfs/dbraw/zinc/09/38/10/707093810.db2.gz WKHOJXGIRBXEDP-AWEZNQCLSA-N 1 0 329.404 1.516 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4n3CCOC4)C2)cc1 ZINC000922238065 710492339 /nfs/dbraw/zinc/49/23/39/710492339.db2.gz PZRKDWATEFCBOI-AWEZNQCLSA-N 1 0 328.416 1.790 20 10 EDCDRO COc1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCF)CC2)cc(OC)n1 ZINC001034681595 710667919 /nfs/dbraw/zinc/66/79/19/710667919.db2.gz WZADSJRBSKAYAD-JOCQHMNTSA-N 1 0 325.384 1.699 20 10 EDCDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000093455004 237021931 /nfs/dbraw/zinc/02/19/31/237021931.db2.gz FXHQIFYWNQTLTR-KRWDZBQOSA-N 1 0 345.399 1.800 20 10 EDCDRO CN(C)c1ccc(C2=CC[N@H+](CCC(=O)N3CCOCC3)C2)cc1 ZINC000374323357 250259931 /nfs/dbraw/zinc/25/99/31/250259931.db2.gz HXBLRAGXKNPSQI-UHFFFAOYSA-N 1 0 329.444 1.701 20 10 EDCDRO COc1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1O ZINC000378147565 250297167 /nfs/dbraw/zinc/29/71/67/250297167.db2.gz GCMNKHXNLDNSLE-SFHVURJKSA-N 1 0 336.432 1.372 20 10 EDCDRO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)CC1 ZINC000111235268 533291419 /nfs/dbraw/zinc/29/14/19/533291419.db2.gz BSXVCVCPUAMGDV-ZDUSSCGKSA-N 1 0 334.416 1.624 20 10 EDCDRO C[C@H]([C@H](C)NC(=O)NCc1ccc(N(C)C)cc1)N1CCOCC1 ZINC000104774458 441207418 /nfs/dbraw/zinc/20/74/18/441207418.db2.gz OOIYSFJMPJVWFY-LSDHHAIUSA-N 1 0 334.464 1.661 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)cc1 ZINC000120028059 441996390 /nfs/dbraw/zinc/99/63/90/441996390.db2.gz NDBXGHQIWQFLGI-INIZCTEOSA-N 1 0 349.500 1.781 20 10 EDCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000166294421 442215614 /nfs/dbraw/zinc/21/56/14/442215614.db2.gz RJBOOWWEOSZZHL-GFCCVEGCSA-N 1 0 339.386 1.983 20 10 EDCDRO O=C(CN1CC[NH+](Cc2ccccc2O)CC1)NC1CCCCC1 ZINC000179569730 442475418 /nfs/dbraw/zinc/47/54/18/442475418.db2.gz KBFNPSNTJKDIEC-UHFFFAOYSA-N 1 0 331.460 1.959 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CN3CCOCC3)CC2)cc1 ZINC000156778408 442520146 /nfs/dbraw/zinc/52/01/46/442520146.db2.gz IMIYGUBWHHZRBO-INIZCTEOSA-N 1 0 333.476 1.974 20 10 EDCDRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180652946 442643081 /nfs/dbraw/zinc/64/30/81/442643081.db2.gz PWYFRYPESGNFIS-FNORWQNLSA-N 1 0 333.432 1.255 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000180755774 442656737 /nfs/dbraw/zinc/65/67/37/442656737.db2.gz NGDNJIGFFDLFPT-OAHLLOKOSA-N 1 0 340.445 1.401 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000181228962 442685557 /nfs/dbraw/zinc/68/55/57/442685557.db2.gz KNFJRPALKSWPRZ-VFADXPBXSA-N 1 0 334.416 1.464 20 10 EDCDRO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)c(C)n1-c1ccccn1 ZINC000189468830 442961054 /nfs/dbraw/zinc/96/10/54/442961054.db2.gz LQIFGEUNXWDNCI-UHFFFAOYSA-N 1 0 342.443 1.941 20 10 EDCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1O ZINC000184696703 443060851 /nfs/dbraw/zinc/06/08/51/443060851.db2.gz BDXFAEKEIBSSJO-CQSZACIVSA-N 1 0 344.839 1.179 20 10 EDCDRO COC(=O)c1cn(C2CC[NH+](Cc3cc(F)ccc3O)CC2)nn1 ZINC000184758217 443072432 /nfs/dbraw/zinc/07/24/32/443072432.db2.gz CFJRZEAGCKMUOY-UHFFFAOYSA-N 1 0 334.351 1.747 20 10 EDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000185050189 443125435 /nfs/dbraw/zinc/12/54/35/443125435.db2.gz LAZSBHXJUGARLO-CYBMUJFWSA-N 1 0 341.411 1.767 20 10 EDCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC000185667675 443235616 /nfs/dbraw/zinc/23/56/16/443235616.db2.gz HVZDHMGMWABUSW-HIFRSBDPSA-N 1 0 336.432 1.965 20 10 EDCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269266999 443258491 /nfs/dbraw/zinc/25/84/91/443258491.db2.gz ZNEBRZRFPGPLJO-MCIONIFRSA-N 1 0 337.439 1.911 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000272468402 443328729 /nfs/dbraw/zinc/32/87/29/443328729.db2.gz FGPGYWNEWIEFKS-SJLPKXTDSA-N 1 0 333.476 1.852 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000264810944 443435358 /nfs/dbraw/zinc/43/53/58/443435358.db2.gz CCRTXLWYATZROE-SFHVURJKSA-N 1 0 346.475 1.028 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1 ZINC000273609112 443583123 /nfs/dbraw/zinc/58/31/23/443583123.db2.gz VDXPTXXGPVONRI-ZDUSSCGKSA-N 1 0 335.448 1.604 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000273979195 443589785 /nfs/dbraw/zinc/58/97/85/443589785.db2.gz HONGGOMJXQEGRY-AWEZNQCLSA-N 1 0 343.431 1.418 20 10 EDCDRO COc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1O ZINC000274845368 443612579 /nfs/dbraw/zinc/61/25/79/443612579.db2.gz XASSUASHGBFIKG-UHFFFAOYSA-N 1 0 329.400 1.922 20 10 EDCDRO Cc1cc(N2CCC([NH2+]Cc3cc4c(cc3O)OCO4)CC2)n[nH]1 ZINC000276109269 443652585 /nfs/dbraw/zinc/65/25/85/443652585.db2.gz XLFWIMFTBKWLDV-UHFFFAOYSA-N 1 0 330.388 1.911 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000283577288 443665127 /nfs/dbraw/zinc/66/51/27/443665127.db2.gz SILPWZSLJWDVND-UHFFFAOYSA-N 1 0 346.475 1.361 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000287911307 443760033 /nfs/dbraw/zinc/76/00/33/443760033.db2.gz OKNARAFPEWOMRW-AWEZNQCLSA-N 1 0 347.459 1.730 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)cc1F ZINC000287988110 443761990 /nfs/dbraw/zinc/76/19/90/443761990.db2.gz KJLKFFUVZFQRDN-ZDUSSCGKSA-N 1 0 338.427 1.616 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)cc1OC ZINC000284614266 443780739 /nfs/dbraw/zinc/78/07/39/443780739.db2.gz LYSFLAXXRSNUBO-SJCJKPOMSA-N 1 0 333.388 1.763 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c1 ZINC000284607220 443781508 /nfs/dbraw/zinc/78/15/08/443781508.db2.gz RLHPUIDJOPEXGI-RDTXWAMCSA-N 1 0 344.415 1.634 20 10 EDCDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000285509375 444010556 /nfs/dbraw/zinc/01/05/56/444010556.db2.gz NJYOBVSYXWZGRM-HOTGVXAUSA-N 1 0 338.473 1.819 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)OCO2 ZINC000285641107 444057267 /nfs/dbraw/zinc/05/72/67/444057267.db2.gz ZIPHWKFOOAOPJN-CQSZACIVSA-N 1 0 348.321 1.474 20 10 EDCDRO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000278072368 444089873 /nfs/dbraw/zinc/08/98/73/444089873.db2.gz MXFJRUCGOMYNQU-NVXWUHKLSA-N 1 0 338.448 1.230 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289268534 444091733 /nfs/dbraw/zinc/09/17/33/444091733.db2.gz GCMZEYPWYGXIJY-SJCJKPOMSA-N 1 0 333.388 1.353 20 10 EDCDRO COc1c([O-])c(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000278147582 444105780 /nfs/dbraw/zinc/10/57/80/444105780.db2.gz BVEGKYSCLTUCHK-GFCCVEGCSA-N 1 0 337.376 1.657 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000289437774 444143186 /nfs/dbraw/zinc/14/31/86/444143186.db2.gz LQDUJESMDQKGEB-UHFFFAOYSA-N 1 0 333.388 1.307 20 10 EDCDRO COCCN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289384955 444126527 /nfs/dbraw/zinc/12/65/27/444126527.db2.gz CZEKCCAMJLNHMC-UHFFFAOYSA-N 1 0 327.381 1.319 20 10 EDCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000290199223 444253786 /nfs/dbraw/zinc/25/37/86/444253786.db2.gz OZYXSABGOWJGDW-QAPCUYQASA-N 1 0 349.450 1.913 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000296423824 444228411 /nfs/dbraw/zinc/22/84/11/444228411.db2.gz RUTONCZYHLQGKJ-MRXNPFEDSA-N 1 0 334.464 1.399 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1OC ZINC000290117553 444244761 /nfs/dbraw/zinc/24/47/61/444244761.db2.gz IRKSADIPAPDWDC-UGSOOPFHSA-N 1 0 331.368 1.994 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000305767360 444279167 /nfs/dbraw/zinc/27/91/67/444279167.db2.gz HYQZUJJTXVLOHW-UHFFFAOYSA-N 1 0 331.416 1.969 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000297902321 444352577 /nfs/dbraw/zinc/35/25/77/444352577.db2.gz RTUCYQGOTWCEJY-QGZVFWFLSA-N 1 0 346.475 1.264 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000297956066 444368088 /nfs/dbraw/zinc/36/80/88/444368088.db2.gz UBLDPEWPSVNFOV-MRXNPFEDSA-N 1 0 331.460 1.870 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)cc1OC ZINC000362236465 446278966 /nfs/dbraw/zinc/27/89/66/446278966.db2.gz FSZPPTPYFOOLNN-ZDUSSCGKSA-N 1 0 332.404 1.511 20 10 EDCDRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1cccc(O)c1O ZINC000365756147 446329969 /nfs/dbraw/zinc/32/99/69/446329969.db2.gz CPOSEYCKRGDBKU-UHFFFAOYSA-N 1 0 348.443 1.987 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H](n3cccn3)C2)cc1 ZINC000365830000 446360909 /nfs/dbraw/zinc/36/09/09/446360909.db2.gz DRVJQSWQCSRDNZ-KRWDZBQOSA-N 1 0 327.432 1.512 20 10 EDCDRO Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c(O)c1O ZINC000371663233 446945521 /nfs/dbraw/zinc/94/55/21/446945521.db2.gz CMFAFVKLVMCHSW-DZGCQCFKSA-N 1 0 334.416 1.637 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@@H]3CS(=O)(=O)C[C@@H]3C)CC2)cc1 ZINC000368592149 446965240 /nfs/dbraw/zinc/96/52/40/446965240.db2.gz KBGGXJPUVOVPHU-SUMWQHHRSA-N 1 0 338.473 1.687 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)c1 ZINC000368723022 447066888 /nfs/dbraw/zinc/06/68/88/447066888.db2.gz AMOSUTUYMOIFGM-RHSMWYFYSA-N 1 0 347.459 1.748 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000375911194 447143343 /nfs/dbraw/zinc/14/33/43/447143343.db2.gz DNHXTPNMOHTDBR-QGZVFWFLSA-N 1 0 331.460 1.918 20 10 EDCDRO O=C(NC[C@@H]1COCC[NH2+]1)N(Cc1ccco1)Cc1ccccc1O ZINC000529383207 448852021 /nfs/dbraw/zinc/85/20/21/448852021.db2.gz VTMTZHJXZRNWLO-OAHLLOKOSA-N 1 0 345.399 1.685 20 10 EDCDRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000298737376 523715816 /nfs/dbraw/zinc/71/58/16/523715816.db2.gz RBQPZFIQPKPETE-OAHLLOKOSA-N 1 0 333.432 1.206 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnn(C)c3)cc2F)CC1 ZINC000106829804 529153211 /nfs/dbraw/zinc/15/32/11/529153211.db2.gz BABPOQLWXBHUAP-UHFFFAOYSA-N 1 0 345.422 1.631 20 10 EDCDRO COC[C@](C)(CCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000749923678 579744105 /nfs/dbraw/zinc/74/41/05/579744105.db2.gz XKCGVFMAPAOEFD-KRWDZBQOSA-N 1 0 326.412 1.539 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3C4CCC3CC4)CC2)cc1 ZINC000754008289 579893767 /nfs/dbraw/zinc/89/37/67/579893767.db2.gz FQKHANLLVMOQKS-ACBHZAAOSA-N 1 0 345.487 1.805 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@]1(C)CCO[C@H]1C)cc2=O ZINC000755166966 579921729 /nfs/dbraw/zinc/92/17/29/579921729.db2.gz BTKYCOVOODHJRR-QFYYESIMSA-N 1 0 334.376 1.269 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000756103301 579943579 /nfs/dbraw/zinc/94/35/79/579943579.db2.gz BHRDLRHOYWPAPT-YLJYHZDGSA-N 1 0 346.519 1.747 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000756563223 579952704 /nfs/dbraw/zinc/95/27/04/579952704.db2.gz NQTUTNLJGCRJNV-CQSZACIVSA-N 1 0 349.475 1.994 20 10 EDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000757921506 579973070 /nfs/dbraw/zinc/97/30/70/579973070.db2.gz WCPCTXFVHBBCHR-SFHVURJKSA-N 1 0 336.432 1.581 20 10 EDCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCSc1nccs1 ZINC000767171148 580183005 /nfs/dbraw/zinc/18/30/05/580183005.db2.gz QFGNXONYBKIBIC-LBPRGKRZSA-N 1 0 329.491 1.710 20 10 EDCDRO CNC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768217474 580209204 /nfs/dbraw/zinc/20/92/04/580209204.db2.gz QVPFIVKEAYDBOF-UHFFFAOYSA-N 1 0 335.423 1.620 20 10 EDCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000769463936 580237640 /nfs/dbraw/zinc/23/76/40/580237640.db2.gz UGGJHXRTBHBDAU-UHFFFAOYSA-N 1 0 341.411 1.822 20 10 EDCDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(O)cccc2OC)C1 ZINC000775201182 580385533 /nfs/dbraw/zinc/38/55/33/580385533.db2.gz CLJBJQREQHFBKU-KGLIPLIRSA-N 1 0 325.405 1.247 20 10 EDCDRO CCOCCNC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257091 580387062 /nfs/dbraw/zinc/38/70/62/580387062.db2.gz GDBHSTSZEVGAHZ-OAHLLOKOSA-N 1 0 335.448 1.327 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775371938 580389443 /nfs/dbraw/zinc/38/94/43/580389443.db2.gz VTRTYKKULYNRGX-QMMMGPOBSA-N 1 0 349.309 1.440 20 10 EDCDRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(F)ccc1O)CCO2 ZINC000776519838 580419166 /nfs/dbraw/zinc/41/91/66/580419166.db2.gz JGBDTMIMYBULDT-UKRRQHHQSA-N 1 0 329.393 1.357 20 10 EDCDRO CC[N@H+](C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000779221535 580481485 /nfs/dbraw/zinc/48/14/85/580481485.db2.gz JEYVJTMOUNZKTB-SFHVURJKSA-N 1 0 335.492 1.908 20 10 EDCDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000794343780 580888167 /nfs/dbraw/zinc/88/81/67/580888167.db2.gz LBTGCUBEMSQQLN-UHFFFAOYSA-N 1 0 343.383 1.772 20 10 EDCDRO COC(=O)[C@]12C[N@H+](Cc3cc(C)cc(OC)c3O)C[C@H]1COCC2 ZINC000794679094 580902639 /nfs/dbraw/zinc/90/26/39/580902639.db2.gz MRCHQCCMHJKXOY-KBXCAEBGSA-N 1 0 335.400 1.721 20 10 EDCDRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(F)ccc1O ZINC000797121500 580968590 /nfs/dbraw/zinc/96/85/90/580968590.db2.gz ZWJFMNOEQISJMW-WCQYABFASA-N 1 0 330.425 1.996 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000806170125 590741124 /nfs/dbraw/zinc/74/11/24/590741124.db2.gz ONICNCADOAWJHG-ZIAGYGMSSA-N 1 0 341.477 1.622 20 10 EDCDRO CCC(=O)N[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255001 591021357 /nfs/dbraw/zinc/02/13/57/591021357.db2.gz MDRHGDBQTQPAGJ-XJKSGUPXSA-N 1 0 334.464 1.386 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc[n+]([O-])c2)[NH+](C)C)cc1 ZINC000891257896 591023219 /nfs/dbraw/zinc/02/32/19/591023219.db2.gz MHPFNXHGZQTWHV-QGZVFWFLSA-N 1 0 328.416 1.419 20 10 EDCDRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000892550736 591068703 /nfs/dbraw/zinc/06/87/03/591068703.db2.gz RQAYWXMVOJOFSI-DKTWLAJQSA-N 1 0 328.210 1.691 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000891456643 591078816 /nfs/dbraw/zinc/07/88/16/591078816.db2.gz QZZYEMYSJWNVEG-LBPRGKRZSA-N 1 0 344.381 1.936 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000891607273 591147664 /nfs/dbraw/zinc/14/76/64/591147664.db2.gz NVMTXTIECSGJFA-MSOLQXFVSA-N 1 0 346.475 1.493 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2nccn2C)[NH+](C)C)cc1 ZINC000892765279 591166731 /nfs/dbraw/zinc/16/67/31/591166731.db2.gz RUAGXLCDAREJGB-INIZCTEOSA-N 1 0 344.463 1.588 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000895810180 591274806 /nfs/dbraw/zinc/27/48/06/591274806.db2.gz HXTGWSRVPJUYDT-UHFFFAOYSA-N 1 0 325.478 1.575 20 10 EDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894520293 591329851 /nfs/dbraw/zinc/32/98/51/591329851.db2.gz JWLMIDKZNCDBTD-NSHDSACASA-N 1 0 328.434 1.367 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(CO)CC1 ZINC000899098449 591688260 /nfs/dbraw/zinc/68/82/60/591688260.db2.gz OMXVXJWVNQSANX-YOEHRIQHSA-N 1 0 348.491 1.816 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)C2CC2)[NH+](C)C)cc1 ZINC000899101057 591689875 /nfs/dbraw/zinc/68/98/75/591689875.db2.gz HOVZBEOTOCMBMS-DLBZAZTESA-N 1 0 334.464 1.425 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897984314 591749564 /nfs/dbraw/zinc/74/95/64/591749564.db2.gz VJVQEBDZLFCHKC-DNVCBOLYSA-N 1 0 345.487 1.829 20 10 EDCDRO COc1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(O)c1OC ZINC000895448652 591761546 /nfs/dbraw/zinc/76/15/46/591761546.db2.gz JJDROABQSGIFOY-ZDUSSCGKSA-N 1 0 334.416 1.854 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])[C@@H]3CCCOC3)cc2)CC1 ZINC000901830890 591844749 /nfs/dbraw/zinc/84/47/49/591844749.db2.gz FEKOJQNCDCFZCG-AEFFLSMTSA-N 1 0 347.459 1.408 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1 ZINC000898335525 591876638 /nfs/dbraw/zinc/87/66/38/591876638.db2.gz UYNDMYWLBKLKMP-UHFFFAOYSA-N 1 0 330.432 1.975 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1OC ZINC000902645206 592037232 /nfs/dbraw/zinc/03/72/32/592037232.db2.gz RXMUMWYTMXVINI-LSDHHAIUSA-N 1 0 336.432 1.440 20 10 EDCDRO [NH3+][C@@]1(CO)CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000904407210 592250859 /nfs/dbraw/zinc/25/08/59/592250859.db2.gz QIYBZEMOIRMMGB-SFHVURJKSA-N 1 0 348.447 1.871 20 10 EDCDRO COCCCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908457635 592507647 /nfs/dbraw/zinc/50/76/47/592507647.db2.gz IKNIOHDGQHSCLT-MRXNPFEDSA-N 1 0 343.493 1.311 20 10 EDCDRO CCS(=O)(=O)CC[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905703728 592616140 /nfs/dbraw/zinc/61/61/40/592616140.db2.gz JIGKUSGMIXGJTC-MRXNPFEDSA-N 1 0 327.494 1.380 20 10 EDCDRO Cc1cc(Cn2cc(CN3CCC([NH3+])CC3)nn2)ccc1N(C)C ZINC000905812489 592648404 /nfs/dbraw/zinc/64/84/04/592648404.db2.gz CILDFJJFZRFSDV-UHFFFAOYSA-N 1 0 328.464 1.624 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2nnc3c2CCCC3)cc1 ZINC000911666751 592974096 /nfs/dbraw/zinc/97/40/96/592974096.db2.gz LRQRNDKGCMINFO-HNNXBMFYSA-N 1 0 342.447 1.039 20 10 EDCDRO CC(C)[NH+]1CCC(NC(=O)CN(C)c2ccc3c(c2)OCO3)CC1 ZINC000121329075 593131574 /nfs/dbraw/zinc/13/15/74/593131574.db2.gz MDTXFVJZXFGZDC-UHFFFAOYSA-N 1 0 333.432 1.841 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000807098303 593144577 /nfs/dbraw/zinc/14/45/77/593144577.db2.gz UVLREKOVLWDMKM-UHFFFAOYSA-N 1 0 334.464 1.087 20 10 EDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c1O ZINC000808699503 593282107 /nfs/dbraw/zinc/28/21/07/593282107.db2.gz ZCUICDZTTBPGEE-LLVKDONJSA-N 1 0 347.864 1.944 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000817274879 593587214 /nfs/dbraw/zinc/58/72/14/593587214.db2.gz RNJYTIRFRMOODK-UHFFFAOYSA-N 1 0 346.475 1.358 20 10 EDCDRO Cc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)ccc1N(C)C ZINC000815055874 593612328 /nfs/dbraw/zinc/61/23/28/593612328.db2.gz QWDWUIVGNWJEAK-UHFFFAOYSA-N 1 0 325.478 1.528 20 10 EDCDRO Cc1nocc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000815117177 593616290 /nfs/dbraw/zinc/61/62/90/593616290.db2.gz MXQJTVJPWBRWTI-OAHLLOKOSA-N 1 0 328.416 1.975 20 10 EDCDRO Cn1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000815126589 593616777 /nfs/dbraw/zinc/61/67/77/593616777.db2.gz OHBCMZBNUDMRLT-CQSZACIVSA-N 1 0 335.839 1.928 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934901 593650303 /nfs/dbraw/zinc/65/03/03/593650303.db2.gz LALDZUKANKGLKY-WBMJQRKESA-N 1 0 325.403 1.889 20 10 EDCDRO COCC[N@@H+]1CCC[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169157 593742539 /nfs/dbraw/zinc/74/25/39/593742539.db2.gz YUVQRJBPEHDNMF-HNNXBMFYSA-N 1 0 347.415 1.267 20 10 EDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)Cn3cccn3)C2)cc1 ZINC000819379692 593752658 /nfs/dbraw/zinc/75/26/58/593752658.db2.gz KAZPFFGFKCQBFO-DOTOQJQBSA-N 1 0 330.432 1.369 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)O1 ZINC000823850818 593872906 /nfs/dbraw/zinc/87/29/06/593872906.db2.gz DMQIKUHMPVVBMR-KEYYUXOJSA-N 1 0 338.473 1.577 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1OC ZINC000824654374 594051383 /nfs/dbraw/zinc/05/13/83/594051383.db2.gz NPCJFGAWTIIPLM-YUELXQCFSA-N 1 0 337.416 1.771 20 10 EDCDRO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(N2CCOCC2)cc1 ZINC000827725390 594265798 /nfs/dbraw/zinc/26/57/98/594265798.db2.gz GWMUSOPFVNSLKT-YOEHRIQHSA-N 1 0 333.432 1.079 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCNC(=O)NC(C)C)CC2)cc1 ZINC000827803590 594280612 /nfs/dbraw/zinc/28/06/12/594280612.db2.gz SSPDBLIBXOVGGW-UHFFFAOYSA-N 1 0 334.464 1.915 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000825973559 594295038 /nfs/dbraw/zinc/29/50/38/594295038.db2.gz LJZUPCDSOQEFRS-HNNXBMFYSA-N 1 0 328.420 1.199 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ncc3ccccc32)cc1 ZINC000832271987 594739548 /nfs/dbraw/zinc/73/95/48/594739548.db2.gz BKBXEUVGOICBQY-KRWDZBQOSA-N 1 0 337.427 1.919 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnn(C)c2C(F)F)cc1 ZINC000832278936 594739974 /nfs/dbraw/zinc/73/99/74/594739974.db2.gz GTRVQZNNUVIEPI-ZDUSSCGKSA-N 1 0 337.374 1.854 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CCCCCC2=O)cc1 ZINC000832282014 594740071 /nfs/dbraw/zinc/74/00/71/594740071.db2.gz XHKYAVGEDJQDKF-INIZCTEOSA-N 1 0 332.448 1.271 20 10 EDCDRO CC(=O)N1CCC[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832292450 594740687 /nfs/dbraw/zinc/74/06/87/594740687.db2.gz HBFBYHVUQHIGCE-WBVHZDCISA-N 1 0 332.448 1.127 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1COC)cc2=O ZINC000832615992 594764145 /nfs/dbraw/zinc/76/41/45/594764145.db2.gz MUZSVAKCFAIPRP-CYBMUJFWSA-N 1 0 348.403 1.613 20 10 EDCDRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(C)cc1O ZINC000840898672 594825091 /nfs/dbraw/zinc/82/50/91/594825091.db2.gz ZTGQOCSKLKEFEB-CQSZACIVSA-N 1 0 331.420 1.912 20 10 EDCDRO COCC(COC)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000840954126 594832037 /nfs/dbraw/zinc/83/20/37/594832037.db2.gz GWBSQNSCAHQGCG-UHFFFAOYSA-N 1 0 328.840 1.825 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000841000389 594836968 /nfs/dbraw/zinc/83/69/68/594836968.db2.gz ACLRNUPOJHNMDP-QGZVFWFLSA-N 1 0 338.411 1.598 20 10 EDCDRO CNC(=O)c1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841041859 594843058 /nfs/dbraw/zinc/84/30/58/594843058.db2.gz FXDNOXCVSKLUOR-GOSISDBHSA-N 1 0 326.444 1.902 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnc(N3CCCC3)nc2)cc1 ZINC000841044234 594843571 /nfs/dbraw/zinc/84/35/71/594843571.db2.gz UODBEOPKCDQOOS-SFHVURJKSA-N 1 0 340.475 1.932 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000841325833 594885521 /nfs/dbraw/zinc/88/55/21/594885521.db2.gz RRLOCSPAVJNKJF-UHFFFAOYSA-N 1 0 342.403 1.256 20 10 EDCDRO O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841328726 594885542 /nfs/dbraw/zinc/88/55/42/594885542.db2.gz AGNHUFNWGPHTIT-UHFFFAOYSA-N 1 0 343.383 1.944 20 10 EDCDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729164 594944575 /nfs/dbraw/zinc/94/45/75/594944575.db2.gz CRFUMRQCUVWHFY-AEFFLSMTSA-N 1 0 346.475 1.840 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000841740509 594945789 /nfs/dbraw/zinc/94/57/89/594945789.db2.gz JMLSRLBLNWCGTE-SUMWQHHRSA-N 1 0 332.448 1.621 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000841779001 594950530 /nfs/dbraw/zinc/95/05/30/594950530.db2.gz KEAPNPKBLAQKRG-AWEZNQCLSA-N 1 0 332.448 1.654 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000841779135 594951122 /nfs/dbraw/zinc/95/11/22/594951122.db2.gz LJWJGABGTKPEBC-KDOFPFPSSA-N 1 0 344.459 1.667 20 10 EDCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000841862780 594967393 /nfs/dbraw/zinc/96/73/93/594967393.db2.gz FPIQVAXZKSJEQO-OAHLLOKOSA-N 1 0 338.473 1.579 20 10 EDCDRO CCS(=O)(=O)C1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000841886331 594973954 /nfs/dbraw/zinc/97/39/54/594973954.db2.gz NFQPFARRYKOGTJ-UHFFFAOYSA-N 1 0 337.489 1.057 20 10 EDCDRO C[C@H](C[NH3+])N(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915058 594980811 /nfs/dbraw/zinc/98/08/11/594980811.db2.gz LHAUJKPFLRUBBG-LLVKDONJSA-N 1 0 342.390 1.290 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1F ZINC000841945868 594987064 /nfs/dbraw/zinc/98/70/64/594987064.db2.gz COYLPOOBIZGVQU-OAHLLOKOSA-N 1 0 336.411 1.403 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842152297 595024448 /nfs/dbraw/zinc/02/44/48/595024448.db2.gz GLNUJTIVRHOQBN-GDBMZVCRSA-N 1 0 346.475 1.182 20 10 EDCDRO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000842204002 595038338 /nfs/dbraw/zinc/03/83/38/595038338.db2.gz ZRLRXMJHTLPTMR-WMLDXEAASA-N 1 0 346.475 1.386 20 10 EDCDRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215848 595042054 /nfs/dbraw/zinc/04/20/54/595042054.db2.gz XJCHWPMURDGMPG-KRWDZBQOSA-N 1 0 344.459 1.243 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000842223700 595043945 /nfs/dbraw/zinc/04/39/45/595043945.db2.gz NUDRZPZIPCTOGI-UHFFFAOYSA-N 1 0 347.459 1.637 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2cc3ccccc3n2)cc1 ZINC000843296664 595065561 /nfs/dbraw/zinc/06/55/61/595065561.db2.gz CZMIAAYGWFQBAA-KRWDZBQOSA-N 1 0 337.427 1.919 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCn2ccccc2=O)cc1 ZINC000843298410 595066137 /nfs/dbraw/zinc/06/61/37/595066137.db2.gz OEJKZKFQMGPGQP-KRWDZBQOSA-N 1 0 342.443 1.511 20 10 EDCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843485678 595126025 /nfs/dbraw/zinc/12/60/25/595126025.db2.gz MYRIEUMMLKEMBS-MRXNPFEDSA-N 1 0 335.448 1.770 20 10 EDCDRO C[C@@H]1CCCCN1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784097 595197721 /nfs/dbraw/zinc/19/77/21/595197721.db2.gz GMAWUZJVTKZWQX-CJNGLKHVSA-N 1 0 340.493 1.461 20 10 EDCDRO COC(C)(C)CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786351 595198401 /nfs/dbraw/zinc/19/84/01/595198401.db2.gz YTTAAYJLNLPOLP-CQSZACIVSA-N 1 0 329.466 1.097 20 10 EDCDRO C[C@H]([C@H](C)NC(=O)NCc1cc(Cl)ccc1O)N1CCOCC1 ZINC000844955511 595419643 /nfs/dbraw/zinc/41/96/43/595419643.db2.gz WJOBFFNNRDFLSS-NWDGAFQWSA-N 1 0 341.839 1.954 20 10 EDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844969790 595421302 /nfs/dbraw/zinc/42/13/02/595421302.db2.gz WFDBMUQBNZARRM-CQSZACIVSA-N 1 0 341.839 1.956 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000848910750 595466410 /nfs/dbraw/zinc/46/64/10/595466410.db2.gz PLGKXSGOTIEVOT-HNNXBMFYSA-N 1 0 326.462 1.810 20 10 EDCDRO COc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1O ZINC000849073552 595478412 /nfs/dbraw/zinc/47/84/12/595478412.db2.gz JSUZMLVFBNDUDE-UHFFFAOYSA-N 1 0 342.403 1.037 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](Cc3ccccc3)C(N)=O)C2)cc1 ZINC000849321717 595505859 /nfs/dbraw/zinc/50/58/59/595505859.db2.gz KTWRRMHEGJLMSP-QFBILLFUSA-N 1 0 339.439 1.960 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868649 595588643 /nfs/dbraw/zinc/58/86/43/595588643.db2.gz KXZFVYFEJVLRRY-MSOLQXFVSA-N 1 0 331.460 1.652 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000852916837 595613537 /nfs/dbraw/zinc/61/35/37/595613537.db2.gz QNCQFZBWCKONOH-INIZCTEOSA-N 1 0 331.460 1.654 20 10 EDCDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1C ZINC000850058484 595730364 /nfs/dbraw/zinc/73/03/64/595730364.db2.gz DAAKGUWTHKEHOT-INIZCTEOSA-N 1 0 341.459 1.720 20 10 EDCDRO CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000853474485 595762114 /nfs/dbraw/zinc/76/21/14/595762114.db2.gz JJEDALPGLLVLLU-GOSISDBHSA-N 1 0 346.475 1.759 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c(O)c1C ZINC000858570170 595831762 /nfs/dbraw/zinc/83/17/62/595831762.db2.gz UNDXMATXEMHGPE-GFCCVEGCSA-N 1 0 327.450 1.150 20 10 EDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000850424665 595831924 /nfs/dbraw/zinc/83/19/24/595831924.db2.gz GOZGEZIBSLWNMU-GDBMZVCRSA-N 1 0 342.447 1.158 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCC(F)(F)F)cc1 ZINC000858612832 595843610 /nfs/dbraw/zinc/84/36/10/595843610.db2.gz ZYVQHFFHURYALN-GFCCVEGCSA-N 1 0 339.383 1.624 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000851664359 595874833 /nfs/dbraw/zinc/87/48/33/595874833.db2.gz XXNITFMFSDFAOM-ZQIUZPCESA-N 1 0 332.448 1.571 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254116 595935874 /nfs/dbraw/zinc/93/58/74/595935874.db2.gz RPYBEVRPSIGSIK-OMDKTOEGSA-N 1 0 332.400 1.169 20 10 EDCDRO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000861564658 596031010 /nfs/dbraw/zinc/03/10/10/596031010.db2.gz MHPZSSLKPXMWQN-GDBMZVCRSA-N 1 0 332.448 1.463 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000861658808 596058373 /nfs/dbraw/zinc/05/83/73/596058373.db2.gz OBVICVMZKDRMRW-PBHICJAKSA-N 1 0 344.459 1.858 20 10 EDCDRO COC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852321348 596125130 /nfs/dbraw/zinc/12/51/30/596125130.db2.gz MBYHTUQPFOYZSZ-GOSISDBHSA-N 1 0 349.475 1.400 20 10 EDCDRO CCOC[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862502422 596338576 /nfs/dbraw/zinc/33/85/76/596338576.db2.gz MDMKVBBJRBTJBK-LJQANCHMSA-N 1 0 333.476 1.676 20 10 EDCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000870956897 596417778 /nfs/dbraw/zinc/41/77/78/596417778.db2.gz OFRBHBHTJVDRLV-QMTMVMCOSA-N 1 0 329.444 1.391 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(C)no3)CC2)cc1 ZINC000865433206 596573311 /nfs/dbraw/zinc/57/33/11/596573311.db2.gz INVKAYPAZGPBFR-UHFFFAOYSA-N 1 0 330.432 1.903 20 10 EDCDRO CN(C)c1cc(F)c(CN[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1F ZINC000865659785 596641082 /nfs/dbraw/zinc/64/10/82/596641082.db2.gz FICORUWYHGUBTK-ZDUSSCGKSA-N 1 0 327.419 1.966 20 10 EDCDRO C[N@@H+]1CC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC[C@@H]21 ZINC000866205417 596827122 /nfs/dbraw/zinc/82/71/22/596827122.db2.gz LODBYCNPMYKYQV-JQWIXIFHSA-N 1 0 332.360 1.456 20 10 EDCDRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000872215915 596839266 /nfs/dbraw/zinc/83/92/66/596839266.db2.gz LFPOZTRTJJWWEX-VQTJNVASSA-N 1 0 348.487 1.649 20 10 EDCDRO COc1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1Cn1cccn1 ZINC000873094442 597190811 /nfs/dbraw/zinc/19/08/11/597190811.db2.gz IUNSRRWITOPUMC-GOSISDBHSA-N 1 0 332.448 1.342 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)cc1Cn1cccn1 ZINC000873106984 597197631 /nfs/dbraw/zinc/19/76/31/597197631.db2.gz LIJFSLISCLFYDL-SFHVURJKSA-N 1 0 331.416 1.835 20 10 EDCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873115804 597201118 /nfs/dbraw/zinc/20/11/18/597201118.db2.gz UYTKYIGAIGNKLJ-UHFFFAOYSA-N 1 0 345.443 1.960 20 10 EDCDRO CCN1C[C@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1=O ZINC000873131860 597206556 /nfs/dbraw/zinc/20/65/56/597206556.db2.gz XTYZLDXCDNECCJ-MRXNPFEDSA-N 1 0 328.416 1.650 20 10 EDCDRO Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c(O)c1 ZINC000876568705 597243745 /nfs/dbraw/zinc/24/37/45/597243745.db2.gz PTYZLBAROMSSEN-UHFFFAOYSA-N 1 0 331.460 1.831 20 10 EDCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876723239 597306758 /nfs/dbraw/zinc/30/67/58/597306758.db2.gz QOAGRSQTCWZFKP-UHFFFAOYSA-N 1 0 326.462 1.947 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)c(OC)c1 ZINC000877227678 597467928 /nfs/dbraw/zinc/46/79/28/597467928.db2.gz MBUVKBYHMWKDHP-KRWDZBQOSA-N 1 0 333.432 1.480 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[C@@H]([NH3+])C3CC3)CC2)c(OC)c1 ZINC000877228128 597468418 /nfs/dbraw/zinc/46/84/18/597468418.db2.gz UJNDGUCORXNQLM-OAHLLOKOSA-N 1 0 333.432 1.480 20 10 EDCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877402186 597510307 /nfs/dbraw/zinc/51/03/07/597510307.db2.gz ZQKPIDMJDQIBOH-MRXNPFEDSA-N 1 0 347.459 1.968 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)NC4(CCC4)C3=O)cc2)CC1 ZINC000877876725 597561691 /nfs/dbraw/zinc/56/16/91/597561691.db2.gz ZWMAOTDEPAQYBU-UHFFFAOYSA-N 1 0 328.416 1.413 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000879647350 597674118 /nfs/dbraw/zinc/67/41/18/597674118.db2.gz BHUNJLJXDDDDFI-KGLIPLIRSA-N 1 0 342.395 1.999 20 10 EDCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CN1CC1CC1 ZINC000883403210 597732673 /nfs/dbraw/zinc/73/26/73/597732673.db2.gz MUUKQZKZXVCOAR-INIZCTEOSA-N 1 0 347.434 1.763 20 10 EDCDRO CCOc1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)co1 ZINC000881852186 597754497 /nfs/dbraw/zinc/75/44/97/597754497.db2.gz IGLXOYCXEXGGJA-UHFFFAOYSA-N 1 0 344.415 1.755 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)COC3CCOCC3)cc2)CC1 ZINC000881851647 597754564 /nfs/dbraw/zinc/75/45/64/597754564.db2.gz XZHFVMBWNNDTBX-UHFFFAOYSA-N 1 0 347.459 1.250 20 10 EDCDRO CC(C)C[C@@H](C(N)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852694 597755002 /nfs/dbraw/zinc/75/50/02/597755002.db2.gz BTMAMRIDDCJTNR-KRWDZBQOSA-N 1 0 346.475 1.202 20 10 EDCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@@]3(C)CO)cc2)CC1 ZINC000878981385 597773947 /nfs/dbraw/zinc/77/39/47/597773947.db2.gz KKSPKMCCSBEMGQ-HKUYNNGSSA-N 1 0 334.460 1.619 20 10 EDCDRO CCC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)COC1 ZINC000883731619 597879137 /nfs/dbraw/zinc/87/91/37/597879137.db2.gz VWVUJPMWYQLAMZ-UHFFFAOYSA-N 1 0 346.475 1.664 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](OC)CC[C@H]1C)cc2=O ZINC000879323253 597886522 /nfs/dbraw/zinc/88/65/22/597886522.db2.gz XVHDCMONVSXZMY-DGCLKSJQSA-N 1 0 348.403 1.611 20 10 EDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000884194748 598022833 /nfs/dbraw/zinc/02/28/33/598022833.db2.gz QPAJOBNVUXIEPX-INIZCTEOSA-N 1 0 337.439 1.913 20 10 EDCDRO CC(=O)c1cc(F)cc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c1O ZINC000880996231 598048339 /nfs/dbraw/zinc/04/83/39/598048339.db2.gz RHSUZSHKGDIEQH-GFCCVEGCSA-N 1 0 332.379 1.916 20 10 EDCDRO COc1ccc(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)c(O)c1 ZINC000884334745 598072210 /nfs/dbraw/zinc/07/22/10/598072210.db2.gz AEGCRXUALIOYJY-UHFFFAOYSA-N 1 0 342.399 1.135 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CCOC(C)(C)C3)CC2)cc1 ZINC000915057402 695726066 /nfs/dbraw/zinc/72/60/66/695726066.db2.gz YXTVVQXTRWEKQS-UHFFFAOYSA-N 1 0 347.459 1.455 20 10 EDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC000917830256 697089553 /nfs/dbraw/zinc/08/95/53/697089553.db2.gz YWSQVAWINUCJRF-GFCCVEGCSA-N 1 0 325.384 1.441 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000918852863 697217090 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COc1cc(N2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)ncn1 ZINC000185610309 704659053 /nfs/dbraw/zinc/65/90/53/704659053.db2.gz OIATXXDHEQZDFG-UHFFFAOYSA-N 1 0 344.415 1.830 20 10 EDCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cnn(C)n3)C2)cc1C ZINC000999550012 707049247 /nfs/dbraw/zinc/04/92/47/707049247.db2.gz UUDPHVSRMMPYSY-UHFFFAOYSA-N 1 0 343.431 1.525 20 10 EDCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3nc[nH]n3)C2)cc1C ZINC000999572484 707078595 /nfs/dbraw/zinc/07/85/95/707078595.db2.gz CKDFRASDDWNVCM-UHFFFAOYSA-N 1 0 329.404 1.515 20 10 EDCDRO C[C@H](O)C[NH+]1CCC(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001002158400 708672691 /nfs/dbraw/zinc/67/26/91/708672691.db2.gz CHDORJFHYVFGJL-LBPRGKRZSA-N 1 0 347.419 1.672 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237220856 249302285 /nfs/dbraw/zinc/30/22/85/249302285.db2.gz DRJUENHBUIXKSD-GOSISDBHSA-N 1 0 347.459 1.250 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C)[nH]3)cc2F)CC1 ZINC000264954486 249338737 /nfs/dbraw/zinc/33/87/37/249338737.db2.gz 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O=S1(=O)C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)Oc2ccccc21 ZINC000842723161 595181079 /nfs/dbraw/zinc/18/10/79/595181079.db2.gz ZIRWJQZIOPGLOV-OAHLLOKOSA-N 1 0 345.420 1.946 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000834695351 595192847 /nfs/dbraw/zinc/19/28/47/595192847.db2.gz UVBIAHTYSIQZSR-BETUJISGSA-N 1 0 328.441 1.608 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC[C@H]2CCCO2)cc1 ZINC000842784197 595197696 /nfs/dbraw/zinc/19/76/96/595197696.db2.gz CJXSLYWECRRYOQ-CVEARBPZSA-N 1 0 341.477 1.241 20 10 EDCDRO [NH3+]CC1(CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000846342496 595211383 /nfs/dbraw/zinc/21/13/83/595211383.db2.gz CWJWIZIIBIYUMC-UHFFFAOYSA-N 1 0 344.459 1.148 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000835043071 595252449 /nfs/dbraw/zinc/25/24/49/595252449.db2.gz ZZNKRGILMJEYLZ-YIEVGGLXSA-N 1 0 337.489 1.637 20 10 EDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174103 595291943 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NHESKEYPMHDZAL-UHFFFAOYSA-N 1 0 331.460 1.606 20 10 EDCDRO C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)O1 ZINC000881853881 597755904 /nfs/dbraw/zinc/75/59/04/597755904.db2.gz NIRKQSDUSKLHFO-HDMKZQKVSA-N 1 0 331.460 1.868 20 10 EDCDRO Cn1cc(Cl)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881854329 597756599 /nfs/dbraw/zinc/75/65/99/597756599.db2.gz BYBBTJWJMMQWKU-UHFFFAOYSA-N 1 0 347.850 1.755 20 10 EDCDRO CC[NH+]1CCC(NC(=O)CN(C)c2ccc(OC)cc2OC)CC1 ZINC000132146908 597798187 /nfs/dbraw/zinc/79/81/87/597798187.db2.gz WOTDIUODBIJKOO-UHFFFAOYSA-N 1 0 335.448 1.741 20 10 EDCDRO CC(C)OCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883612945 597828465 /nfs/dbraw/zinc/82/84/65/597828465.db2.gz NMAIXQVJDJGSDH-UHFFFAOYSA-N 1 0 334.464 1.663 20 10 EDCDRO CCOCCONC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883624957 597833581 /nfs/dbraw/zinc/83/35/81/597833581.db2.gz MLMWUKXTMKJYAM-UHFFFAOYSA-N 1 0 336.436 1.206 20 10 EDCDRO C[C@@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)O1 ZINC000883737786 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COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CO)CC2)cc1 ZINC000072939236 441277211 /nfs/dbraw/zinc/27/72/11/441277211.db2.gz CFAVTLQPKBLUQS-QGZVFWFLSA-N 1 0 347.459 1.191 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000152276664 442191388 /nfs/dbraw/zinc/19/13/88/442191388.db2.gz BQQFGTQRXCGMNA-ROUUACIJSA-N 1 0 347.459 1.249 20 10 EDCDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000128032708 442241304 /nfs/dbraw/zinc/24/13/04/442241304.db2.gz QMCGJCMNUYVTEH-GOSISDBHSA-N 1 0 332.448 1.175 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSC)cc2F)CC1 ZINC000171520299 442354717 /nfs/dbraw/zinc/35/47/17/442354717.db2.gz KBLSUFXKGNZTAH-UHFFFAOYSA-N 1 0 325.453 1.947 20 10 EDCDRO Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(O)c1O ZINC000179486747 442465444 /nfs/dbraw/zinc/46/54/44/442465444.db2.gz VNNKPSLGHNJNHL-HNNXBMFYSA-N 1 0 347.459 1.648 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C2(C(N)=O)CCCCC2)cc1 ZINC000178994605 442547800 /nfs/dbraw/zinc/54/78/00/442547800.db2.gz ICVONJJCWYUXOY-UHFFFAOYSA-N 1 0 346.475 1.489 20 10 EDCDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180526718 442616772 /nfs/dbraw/zinc/61/67/72/442616772.db2.gz LUZATXIZKHNJIB-UHFFFAOYSA-N 1 0 338.404 1.908 20 10 EDCDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193286563 442729397 /nfs/dbraw/zinc/72/93/97/442729397.db2.gz POCNXBZEBMRSSY-ZETCQYMHSA-N 1 0 332.187 1.901 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000193643805 442763082 /nfs/dbraw/zinc/76/30/82/442763082.db2.gz PUZAOTGRDNLQSW-CALCHBBNSA-N 1 0 330.476 1.204 20 10 EDCDRO CC[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000272440092 443317115 /nfs/dbraw/zinc/31/71/15/443317115.db2.gz MLXIOJPOQLXDCN-NBUZRDOWSA-N 1 0 345.443 1.349 20 10 EDCDRO NC(=O)CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271044446 443488025 /nfs/dbraw/zinc/48/80/25/443488025.db2.gz PKDMZGUHWFGDHH-UHFFFAOYSA-N 1 0 325.412 1.662 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](C)CC1(C)C)cc2=O ZINC000271059558 443488552 /nfs/dbraw/zinc/48/85/52/443488552.db2.gz SCYUCNUWWPKKNJ-UHFFFAOYSA-N 1 0 347.419 1.138 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000282925232 443471454 /nfs/dbraw/zinc/47/14/54/443471454.db2.gz YQWHBERVSBMPSR-MRXNPFEDSA-N 1 0 344.459 1.160 20 10 EDCDRO CCc1nnc([C@H]2CN(Cc3cc(OC)c(OC)cc3O)CCO2)[nH]1 ZINC000271859203 443516025 /nfs/dbraw/zinc/51/60/25/443516025.db2.gz YDLZOAYNTBNPKG-OAHLLOKOSA-N 1 0 348.403 1.663 20 10 EDCDRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1c(O)cccc1Cl)CCO2 ZINC000272115122 443531047 /nfs/dbraw/zinc/53/10/47/443531047.db2.gz YMOVXSUZYIPTPZ-IAQYHMDHSA-N 1 0 345.848 1.872 20 10 EDCDRO CCCOc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC000279391001 443573757 /nfs/dbraw/zinc/57/37/57/443573757.db2.gz KFXJRHGKQBGSJK-QGZVFWFLSA-N 1 0 333.388 1.355 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000272313833 443589225 /nfs/dbraw/zinc/58/92/25/443589225.db2.gz SEFMDFHJKRUJOG-XDURRLNWSA-N 1 0 329.444 1.732 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275161751 443622322 /nfs/dbraw/zinc/62/23/22/443622322.db2.gz YOFRFHKEAGDPCS-JTQLQIEISA-N 1 0 332.322 1.901 20 10 EDCDRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000280182574 443675659 /nfs/dbraw/zinc/67/56/59/443675659.db2.gz CJXPVGBDJQUKQP-JQWIXIFHSA-N 1 0 330.222 1.889 20 10 EDCDRO CN(C)c1ccc(C[NH2+]CC(=O)N2CCOCC2)c(C(F)(F)F)c1 ZINC000280444406 443713404 /nfs/dbraw/zinc/71/34/04/443713404.db2.gz YIYMJUMMXUHJIJ-UHFFFAOYSA-N 1 0 345.365 1.720 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000280959922 443783411 /nfs/dbraw/zinc/78/34/11/443783411.db2.gz KKGIEBVKDOKLSG-VXGBXAGGSA-N 1 0 344.415 1.609 20 10 EDCDRO CNC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1c1cnn(C)c1 ZINC000284714623 443785055 /nfs/dbraw/zinc/78/50/55/443785055.db2.gz ZDQCTAVBYHBTOO-CVEARBPZSA-N 1 0 344.415 1.096 20 10 EDCDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000277360912 443967473 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CC(C)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301696284 444185582 /nfs/dbraw/zinc/18/55/82/444185582.db2.gz PVPUYVGFXOTBCZ-UHFFFAOYSA-N 1 0 334.376 1.704 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289786760 444203146 /nfs/dbraw/zinc/20/31/46/444203146.db2.gz RVSIEVZVAVNUPS-SCLBCKFNSA-N 1 0 347.415 1.744 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000363906970 445883926 /nfs/dbraw/zinc/88/39/26/445883926.db2.gz KMRJTXJTFORNIY-CYBMUJFWSA-N 1 0 346.387 1.616 20 10 EDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC000366551715 446258577 /nfs/dbraw/zinc/25/85/77/446258577.db2.gz IHEJCHGMZJTAHS-UONOGXRCSA-N 1 0 333.407 1.766 20 10 EDCDRO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000367433181 446545707 /nfs/dbraw/zinc/54/57/07/446545707.db2.gz ZKZVHEJFMBUEQB-MLGOLLRUSA-N 1 0 334.807 1.889 20 10 EDCDRO COc1cccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)c1O ZINC000367720751 446579393 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342.378 1.680 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000785424521 580643636 /nfs/dbraw/zinc/64/36/36/580643636.db2.gz JHKLBIKQPQQGOB-KRWDZBQOSA-N 1 0 344.459 1.064 20 10 EDCDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000789521898 580748523 /nfs/dbraw/zinc/74/85/23/580748523.db2.gz UVDJHVKCFOPFSF-BBRMVZONSA-N 1 0 334.416 1.699 20 10 EDCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C[C@@H](C)O2 ZINC000790395443 580768379 /nfs/dbraw/zinc/76/83/79/580768379.db2.gz BHACKXFHDHAONU-ZRUPIONWSA-N 1 0 335.400 1.586 20 10 EDCDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000790618876 580774043 /nfs/dbraw/zinc/77/40/43/580774043.db2.gz IUHDJOTUCLIQKG-WMZOPIPTSA-N 1 0 336.476 1.771 20 10 EDCDRO CC(C)(O)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000792291060 580816455 /nfs/dbraw/zinc/81/64/55/580816455.db2.gz GOCHABUMYOXDLP-UHFFFAOYSA-N 1 0 345.487 1.996 20 10 EDCDRO CC[N@H+](CCOCCO)Cc1cc(Br)cc(OC)c1O ZINC000800531291 581054485 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DLIHGSNEOIXDLF-LNLFQRSKSA-N 1 0 331.460 1.898 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2cnccn2)[NH+](C)C)cc1 ZINC000891249327 591017786 /nfs/dbraw/zinc/01/77/86/591017786.db2.gz QUMWSXSJUROJQO-SFHVURJKSA-N 1 0 341.459 1.894 20 10 EDCDRO Cc1nccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891256236 591022406 /nfs/dbraw/zinc/02/24/06/591022406.db2.gz VZCNQFCXGXBNBI-KRWDZBQOSA-N 1 0 327.432 1.884 20 10 EDCDRO COC(=O)c1c(C[NH2+]C[C@@H]2COCCO2)c2cc(F)ccc2n1C ZINC000894197543 591224315 /nfs/dbraw/zinc/22/43/15/591224315.db2.gz VNCLWRSNMVCTBT-GFCCVEGCSA-N 1 0 336.363 1.609 20 10 EDCDRO CCOCCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894271846 591259456 /nfs/dbraw/zinc/25/94/56/591259456.db2.gz ODQIHLLVRPDGPJ-INIZCTEOSA-N 1 0 338.452 1.623 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895772506 591269957 /nfs/dbraw/zinc/26/99/57/591269957.db2.gz GEYPFZCBSOPOLY-KRWDZBQOSA-N 1 0 331.460 1.918 20 10 EDCDRO COCCC(=O)N1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894337070 591282514 /nfs/dbraw/zinc/28/25/14/591282514.db2.gz NNNZGMBFCAORNK-UHFFFAOYSA-N 1 0 336.432 1.826 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000894359850 591289202 /nfs/dbraw/zinc/28/92/02/591289202.db2.gz SMXJVKWYHJNQAV-LBPRGKRZSA-N 1 0 328.434 1.080 20 10 EDCDRO COC(=O)c1c(C[NH2+][C@H](C)C[S@](C)=O)c2cc(F)ccc2n1C ZINC000894445115 591313639 /nfs/dbraw/zinc/31/36/39/591313639.db2.gz MWOYPSYJYKCUNP-WYVULQQZSA-N 1 0 340.420 1.961 20 10 EDCDRO COc1ccc(CN2CCO[C@H](c3ccnn3C)C2)c(O)c1OC ZINC000897569425 591558376 /nfs/dbraw/zinc/55/83/76/591558376.db2.gz QLNAWCMYULVCCG-HNNXBMFYSA-N 1 0 333.388 1.716 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](O)C2(C)C)[NH+](C)C)cc1 ZINC000899103946 591684197 /nfs/dbraw/zinc/68/41/97/591684197.db2.gz PRODCDRWBOSURM-IRXDYDNUSA-N 1 0 348.491 1.910 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc1F ZINC000897040714 591722293 /nfs/dbraw/zinc/72/22/93/591722293.db2.gz JJCCQFORUDQWLW-AWEZNQCLSA-N 1 0 335.423 1.355 20 10 EDCDRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000897053759 591724593 /nfs/dbraw/zinc/72/45/93/591724593.db2.gz UEBIWXFWLVPCFX-SECBINFHSA-N 1 0 349.250 1.265 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c1OC ZINC000895369391 591732095 /nfs/dbraw/zinc/73/20/95/591732095.db2.gz RCYJAPYNNNFFIM-JQWIXIFHSA-N 1 0 329.418 1.465 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CCCc3nnnn3C)CC2)cc1 ZINC000898039884 591765727 /nfs/dbraw/zinc/76/57/27/591765727.db2.gz JFRFEBNEKIKVOF-UHFFFAOYSA-N 1 0 330.436 1.410 20 10 EDCDRO COc1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(O)c1OC ZINC000895468985 591768850 /nfs/dbraw/zinc/76/88/50/591768850.db2.gz XKFOFJNIPPFYSD-CQSZACIVSA-N 1 0 349.431 1.789 20 10 EDCDRO CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000903363390 592159065 /nfs/dbraw/zinc/15/90/65/592159065.db2.gz NTMPYPYDCUGYJV-GOEBONIOSA-N 1 0 327.446 1.945 20 10 EDCDRO COCC[C@@H]1C[NH2+]CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000903836528 592338685 /nfs/dbraw/zinc/33/86/85/592338685.db2.gz NXNRBBIIEIGGHB-GOSISDBHSA-N 1 0 348.491 1.021 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000904997859 592361480 /nfs/dbraw/zinc/36/14/80/592361480.db2.gz AJIGQUDEKUPSSL-DNVCBOLYSA-N 1 0 344.459 1.051 20 10 EDCDRO COCC[N@H+](CCC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000901662581 592432837 /nfs/dbraw/zinc/43/28/37/592432837.db2.gz CKUGIPYYUOFVNH-UHFFFAOYSA-N 1 0 335.448 1.362 20 10 EDCDRO CC(C)[NH2+]C1(CO)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000908600987 592549893 /nfs/dbraw/zinc/54/98/93/592549893.db2.gz BQCVBTOKCKAZGP-XQRVVYSFSA-N 1 0 334.416 1.463 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000910557448 592877504 /nfs/dbraw/zinc/87/75/04/592877504.db2.gz ASLYGUKPBAAHKI-OXQOHEQNSA-N 1 0 347.503 1.955 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911561097 592946505 /nfs/dbraw/zinc/94/65/05/592946505.db2.gz WCJRDRFSZXZDLO-CTYIDZIISA-N 1 0 333.432 1.374 20 10 EDCDRO CC(=O)N[C@](C)(C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000911665136 592973593 /nfs/dbraw/zinc/97/35/93/592973593.db2.gz AFNLUMZQAUQGMV-WMZOPIPTSA-N 1 0 334.464 1.419 20 10 EDCDRO CCN1CCO[C@@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000839918241 593213476 /nfs/dbraw/zinc/21/34/76/593213476.db2.gz LJPCUMBCFWEVDR-CRAIPNDOSA-N 1 0 333.476 1.829 20 10 EDCDRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000804031979 593382875 /nfs/dbraw/zinc/38/28/75/593382875.db2.gz ZVDFWHHSCXLESD-HNNXBMFYSA-N 1 0 348.491 1.778 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1O ZINC000813153904 593520820 /nfs/dbraw/zinc/52/08/20/593520820.db2.gz YSAGCSYYBGHRMM-UHFFFAOYSA-N 1 0 328.434 1.223 20 10 EDCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814181167 593577926 /nfs/dbraw/zinc/57/79/26/593577926.db2.gz XAGCFAIRXQGOMV-QGZVFWFLSA-N 1 0 331.460 1.964 20 10 EDCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418903 593603855 /nfs/dbraw/zinc/60/38/55/593603855.db2.gz KOCQUESUKCWNDT-NSHDSACASA-N 1 0 338.209 1.636 20 10 EDCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)nn1 ZINC000815092308 593614483 /nfs/dbraw/zinc/61/44/83/593614483.db2.gz DOJQIGDFFWOVDD-HNNXBMFYSA-N 1 0 343.431 1.886 20 10 EDCDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817893344 593646056 /nfs/dbraw/zinc/64/60/56/593646056.db2.gz YKAZOKZYJQRWIP-NUJGCVRESA-N 1 0 333.476 1.941 20 10 EDCDRO COc1ccc(N2CCN(CCN[C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817895652 593646421 /nfs/dbraw/zinc/64/64/21/593646421.db2.gz WOYYTWRTQUZEJD-LPHOPBHVSA-N 1 0 332.492 1.405 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000817926340 593649366 /nfs/dbraw/zinc/64/93/66/593649366.db2.gz GAMVFTCJNCHVEX-OAHLLOKOSA-N 1 0 344.459 1.051 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000817975120 593652944 /nfs/dbraw/zinc/65/29/44/593652944.db2.gz QUBVLXZONHUOMF-UHFFFAOYSA-N 1 0 349.475 1.964 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000818655631 593710576 /nfs/dbraw/zinc/71/05/76/593710576.db2.gz MSIHKIOLMMKDPX-HUUCEWRRSA-N 1 0 332.448 1.573 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000818656203 593710586 /nfs/dbraw/zinc/71/05/86/593710586.db2.gz SEUNVRLFBPGWMK-CXAGYDPISA-N 1 0 332.448 1.558 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)cc1 ZINC000818656036 593710613 /nfs/dbraw/zinc/71/06/13/593710613.db2.gz VMDMBPLIAABPIW-ZQIUZPCESA-N 1 0 332.448 1.653 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000818656773 593710662 /nfs/dbraw/zinc/71/06/62/593710662.db2.gz YJOSRRIREBBTKX-OAGGEKHMSA-N 1 0 346.475 1.961 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)CSC)CC2)cc1 ZINC000818982235 593732136 /nfs/dbraw/zinc/73/21/36/593732136.db2.gz ITFKMLRIYPIAAW-MRXNPFEDSA-N 1 0 339.505 1.131 20 10 EDCDRO c1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000822497434 594057981 /nfs/dbraw/zinc/05/79/81/594057981.db2.gz DNRYPKHHYZNESN-GOSISDBHSA-N 1 0 327.432 1.952 20 10 EDCDRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000824712082 594060283 /nfs/dbraw/zinc/06/02/83/594060283.db2.gz QJJQSTQYEKJISX-MRXNPFEDSA-N 1 0 331.460 1.606 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823119715 594155910 /nfs/dbraw/zinc/15/59/10/594155910.db2.gz CPGQREXMAUHTQS-MRXNPFEDSA-N 1 0 333.432 1.787 20 10 EDCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000825278239 594160698 /nfs/dbraw/zinc/16/06/98/594160698.db2.gz ANFWPOFGMLAGKM-KRWDZBQOSA-N 1 0 346.475 1.759 20 10 EDCDRO C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000827726201 594265864 /nfs/dbraw/zinc/26/58/64/594265864.db2.gz VDTOHHSZSDJSEE-UCLAIMLFSA-N 1 0 329.444 1.700 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000828667256 594475835 /nfs/dbraw/zinc/47/58/35/594475835.db2.gz OQKOXMCQAAIISP-VXGBXAGGSA-N 1 0 345.403 1.235 20 10 EDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC000826534993 594521138 /nfs/dbraw/zinc/52/11/38/594521138.db2.gz OKVKKJQAEDUELB-NSHDSACASA-N 1 0 337.221 1.930 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000826705943 594560435 /nfs/dbraw/zinc/56/04/35/594560435.db2.gz DCPYDQUPSQBNJJ-INIZCTEOSA-N 1 0 346.475 1.358 20 10 EDCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000826846467 594587495 /nfs/dbraw/zinc/58/74/95/594587495.db2.gz VETGHOHOFABFFQ-LLVKDONJSA-N 1 0 333.348 1.423 20 10 EDCDRO CN(C)C(=O)CN(C/C=C\c1ccc(N(C)C)cc1)CC[NH+](C)C ZINC000827158675 594649284 /nfs/dbraw/zinc/64/92/84/594649284.db2.gz SWJAAZMDSIREMB-FPLPWBNLSA-N 1 0 332.492 1.718 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccnc(C3CC3)n2)cc1 ZINC000832274589 594739578 /nfs/dbraw/zinc/73/95/78/594739578.db2.gz WDDBJDMSUYTSEI-OAHLLOKOSA-N 1 0 325.416 1.850 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C3CC3)n(C)n2)cc1 ZINC000832274639 594739703 /nfs/dbraw/zinc/73/97/03/594739703.db2.gz WLRJYVXEFLYSKA-OAHLLOKOSA-N 1 0 327.432 1.793 20 10 EDCDRO CC(C)[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832279827 594739873 /nfs/dbraw/zinc/73/98/73/594739873.db2.gz KYOTZQKCOOHKGO-WMZOPIPTSA-N 1 0 346.475 1.516 20 10 EDCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+](C)C ZINC000836243396 594942431 /nfs/dbraw/zinc/94/24/31/594942431.db2.gz WOJVQFNBYOORJY-AWEZNQCLSA-N 1 0 336.505 1.989 20 10 EDCDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729588 594944728 /nfs/dbraw/zinc/94/47/28/594944728.db2.gz HJUAXGJMAZVVDP-OAHLLOKOSA-N 1 0 334.464 1.840 20 10 EDCDRO [NH3+]CC1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000841731062 594944938 /nfs/dbraw/zinc/94/49/38/594944938.db2.gz XHGFZKPKGYYGJP-UHFFFAOYSA-N 1 0 332.448 1.404 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000842003660 594999869 /nfs/dbraw/zinc/99/98/69/594999869.db2.gz ODLLYNHBTWCSGO-TVQRCGJNSA-N 1 0 329.347 1.758 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202556 595036940 /nfs/dbraw/zinc/03/69/40/595036940.db2.gz JAOYEAJDHCBSEB-OFQRWUPVSA-N 1 0 346.475 1.373 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202558 595036958 /nfs/dbraw/zinc/03/69/58/595036958.db2.gz JAOYEAJDHCBSEB-YCPHGPKFSA-N 1 0 346.475 1.373 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000842207651 595039322 /nfs/dbraw/zinc/03/93/22/595039322.db2.gz OOQFWTJJXPMDLP-UHFFFAOYSA-N 1 0 346.475 1.265 20 10 EDCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000842212251 595041202 /nfs/dbraw/zinc/04/12/02/595041202.db2.gz DEAPYDJAHFVBDY-WMLDXEAASA-N 1 0 344.459 1.099 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842230732 595046197 /nfs/dbraw/zinc/04/61/97/595046197.db2.gz ZFXWZWLDIWZJFU-HUUCEWRRSA-N 1 0 347.459 1.635 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000842232091 595046681 /nfs/dbraw/zinc/04/66/81/595046681.db2.gz DKFFHDDACZURPS-OAHLLOKOSA-N 1 0 347.459 1.637 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000842254059 595056596 /nfs/dbraw/zinc/05/65/96/595056596.db2.gz QZYIGJQZPDGAEU-CQSZACIVSA-N 1 0 334.464 1.343 20 10 EDCDRO CC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297336 595066256 /nfs/dbraw/zinc/06/62/56/595066256.db2.gz HLWLREBALSORJH-SJORKVTESA-N 1 0 332.448 1.270 20 10 EDCDRO Cc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843357144 595086497 /nfs/dbraw/zinc/08/64/97/595086497.db2.gz DVJPSWIMQHNHIO-KRWDZBQOSA-N 1 0 344.434 1.948 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000846154122 595159436 /nfs/dbraw/zinc/15/94/36/595159436.db2.gz KKDPCUWFEVCRJW-OCCSQVGLSA-N 1 0 344.415 1.981 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)c1O ZINC000846154580 595159717 /nfs/dbraw/zinc/15/97/17/595159717.db2.gz OCVWZOAVQOHUJO-GXTWGEPZSA-N 1 0 344.415 1.899 20 10 EDCDRO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783919 595196889 /nfs/dbraw/zinc/19/68/89/595196889.db2.gz FMWDJOIIBJMUKT-CQSZACIVSA-N 1 0 337.449 1.071 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000846344042 595211787 /nfs/dbraw/zinc/21/17/87/595211787.db2.gz NMYQMUSYHQJOAO-AWEZNQCLSA-N 1 0 346.475 1.436 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(C(=O)NCCO)CC2)cc1 ZINC000835025293 595246514 /nfs/dbraw/zinc/24/65/14/595246514.db2.gz HKMKVLHUNBBBCO-ARJAWSKDSA-N 1 0 331.460 1.586 20 10 EDCDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)O1 ZINC000835043741 595252377 /nfs/dbraw/zinc/25/23/77/595252377.db2.gz YLVRPBILUJBGBI-VGRIIWOTSA-N 1 0 331.460 1.991 20 10 EDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000844173754 595291459 /nfs/dbraw/zinc/29/14/59/595291459.db2.gz UUQKKHKZQJBVCQ-CXAGYDPISA-N 1 0 349.450 1.791 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000846696314 595303415 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C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)ccc1O ZINC000858489026 595808060 /nfs/dbraw/zinc/80/80/60/595808060.db2.gz QESVOUWYZTXGTJ-AAEUAGOBSA-N 1 0 342.378 1.899 20 10 EDCDRO COC(=O)/C=C\c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000858562572 595829901 /nfs/dbraw/zinc/82/99/01/595829901.db2.gz NOBCCLQOPLJAAS-JLEWQEJHSA-N 1 0 331.372 1.777 20 10 EDCDRO [NH3+]CC12CC(C1)CN2C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000851654398 595869403 /nfs/dbraw/zinc/86/94/03/595869403.db2.gz BIVSALCJPOQZSB-UHFFFAOYSA-N 1 0 330.432 1.156 20 10 EDCDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851664987 595874764 /nfs/dbraw/zinc/87/47/64/595874764.db2.gz NGSFAXWTDUZLKB-QGZVFWFLSA-N 1 0 334.464 1.430 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CCC([NH3+])CC3)C2)cc1 ZINC000851666097 595875964 /nfs/dbraw/zinc/87/59/64/595875964.db2.gz YJSLMCQZKVFUJL-YMAMQOFZSA-N 1 0 332.448 1.843 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3=CC[N@H+](C)CC3)C2)cc1 ZINC000854298613 596026017 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COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)cc1F ZINC000084866724 534014225 /nfs/dbraw/zinc/01/42/25/534014225.db2.gz PVPNZVAMLQMBBF-OAHLLOKOSA-N 1 0 334.395 1.214 20 10 EDCDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299345610 522824199 /nfs/dbraw/zinc/82/41/99/522824199.db2.gz QPTUZOHQEHEFFH-ROUUACIJSA-N 1 0 333.476 1.994 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3=COCCO3)cc2F)CC1 ZINC000106701945 529152971 /nfs/dbraw/zinc/15/29/71/529152971.db2.gz HIOFGXCUEBRIQF-UHFFFAOYSA-N 1 0 349.406 1.472 20 10 EDCDRO O=C(C[NH2+]Cc1cc2c(cc1O)OCO2)N1CCc2ccccc21 ZINC000729684709 578587512 /nfs/dbraw/zinc/58/75/12/578587512.db2.gz DOFYLLPOTIJVIY-UHFFFAOYSA-N 1 0 326.352 1.800 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C(F)F)C1)cc2=O ZINC000761113909 580048560 /nfs/dbraw/zinc/04/85/60/580048560.db2.gz RORVSMOAEGHCGN-SECBINFHSA-N 1 0 340.330 1.699 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c2c1c(F)ccc2O ZINC000756405253 579949511 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O=C(NCC[NH+]1CCC(O)CC1)NCc1ccc(N2CC=CC2)cc1 ZINC000893134266 590676210 /nfs/dbraw/zinc/67/62/10/590676210.db2.gz GVMFIYBUHZCJJS-UHFFFAOYSA-N 1 0 344.459 1.319 20 10 EDCDRO Cn1cc(/C=C/C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000893607792 591005633 /nfs/dbraw/zinc/00/56/33/591005633.db2.gz LKDXAZZNWFPYEM-VMPITWQZSA-N 1 0 339.443 1.502 20 10 EDCDRO CCn1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891250715 591019748 /nfs/dbraw/zinc/01/97/48/591019748.db2.gz ZHLTZHKDIDDSHT-MRXNPFEDSA-N 1 0 330.436 1.397 20 10 EDCDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCCSc3nccs3)[C@@H]2C1 ZINC000893645628 591034121 /nfs/dbraw/zinc/03/41/21/591034121.db2.gz LJEUHUXFPPMPNH-VXGBXAGGSA-N 1 0 326.491 1.971 20 10 EDCDRO COC(=O)c1c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c2cc(F)ccc2n1C ZINC000894097158 591192929 /nfs/dbraw/zinc/19/29/29/591192929.db2.gz DAOGEGIXGYNFJX-VXGBXAGGSA-N 1 0 331.391 1.755 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000894204252 591226914 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348.491 1.910 20 10 EDCDRO CCOC1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899100947 591689785 /nfs/dbraw/zinc/68/97/85/591689785.db2.gz DKPBWVIBOFFAJL-QGZVFWFLSA-N 1 0 334.464 1.786 20 10 EDCDRO COc1ccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c(O)c1OC ZINC000897018382 591713271 /nfs/dbraw/zinc/71/32/71/591713271.db2.gz FWMHINUXJLOSLN-ZDUSSCGKSA-N 1 0 336.388 1.730 20 10 EDCDRO Cn1cc([C@@]2(C[NH2+]Cc3cc4c(cc3O)OCO4)CCCO2)cn1 ZINC000898058110 591768924 /nfs/dbraw/zinc/76/89/24/591768924.db2.gz KZJFFEFOYQHEAX-KRWDZBQOSA-N 1 0 331.372 1.650 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CCCC3)cc2)CC1 ZINC000897325996 591846107 /nfs/dbraw/zinc/84/61/07/591846107.db2.gz UPUPPTBIBIHNGL-UHFFFAOYSA-N 1 0 344.459 1.113 20 10 EDCDRO O=C1NCCC2(CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)O1 ZINC000902509517 592004515 /nfs/dbraw/zinc/00/45/15/592004515.db2.gz JMORGEJYUOPTSN-CQSZACIVSA-N 1 0 334.372 1.283 20 10 EDCDRO c1c([C@@H]2CCC[NH2+]C2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900600772 592065117 /nfs/dbraw/zinc/06/51/17/592065117.db2.gz KJBHJCLMRQDGAM-MRXNPFEDSA-N 1 0 327.432 1.630 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c(Cl)c1 ZINC000903970350 592396822 /nfs/dbraw/zinc/39/68/22/592396822.db2.gz VTPKEEZEDIBUJJ-LLVKDONJSA-N 1 0 332.853 1.220 20 10 EDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000908457617 592507167 /nfs/dbraw/zinc/50/71/67/592507167.db2.gz HOISTHDNAMJOHF-HZPDHXFCSA-N 1 0 341.477 1.064 20 10 EDCDRO Cn1ccc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)n1 ZINC000905721550 592629624 /nfs/dbraw/zinc/62/96/24/592629624.db2.gz FOHSDWGBJBQPPV-QGZVFWFLSA-N 1 0 329.400 1.931 20 10 EDCDRO COc1ccc(CNC(=O)CCN2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000907926837 592848452 /nfs/dbraw/zinc/84/84/52/592848452.db2.gz RPWKPZMZWOGAKY-UHFFFAOYSA-N 1 0 335.448 1.433 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000911226149 592969479 /nfs/dbraw/zinc/96/94/79/592969479.db2.gz OKFAOLWTRWAASA-WFASDCNBSA-N 1 0 332.448 1.044 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000839272264 593286925 /nfs/dbraw/zinc/28/69/25/593286925.db2.gz MOJVIAUCDLGIOA-GOEBONIOSA-N 1 0 345.443 1.293 20 10 EDCDRO CON(C)C(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000812293699 593494675 /nfs/dbraw/zinc/49/46/75/593494675.db2.gz XDEBUXKDLWKMDA-OAHLLOKOSA-N 1 0 336.388 1.050 20 10 EDCDRO COc1ccc(N2CCN(CCN[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817895654 593646292 /nfs/dbraw/zinc/64/62/92/593646292.db2.gz WOYYTWRTQUZEJD-QFBILLFUSA-N 1 0 332.492 1.405 20 10 EDCDRO [NH3+][C@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000817915707 593648186 /nfs/dbraw/zinc/64/81/86/593648186.db2.gz PYHHEKKBHWQVJD-AWEZNQCLSA-N 1 0 343.383 1.074 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000817918002 593648511 /nfs/dbraw/zinc/64/85/11/593648511.db2.gz GETXABXPXPETFF-WMLDXEAASA-N 1 0 346.475 1.297 20 10 EDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000817926677 593649186 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C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501626 594025498 /nfs/dbraw/zinc/02/54/98/594025498.db2.gz QOJKLWIIQXWKMW-OALUTQOASA-N 1 0 349.450 1.567 20 10 EDCDRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000825752650 594238339 /nfs/dbraw/zinc/23/83/39/594238339.db2.gz GJWUMQGUSNKOAB-VXGBXAGGSA-N 1 0 330.222 1.889 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000828666531 594475472 /nfs/dbraw/zinc/47/54/72/594475472.db2.gz FSWJDKCAHVPOLA-WDEREUQCSA-N 1 0 330.388 1.692 20 10 EDCDRO CCC(=O)N1CCC[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832272956 594739435 /nfs/dbraw/zinc/73/94/35/594739435.db2.gz KKIVXSPBTCAIJY-DOTOQJQBSA-N 1 0 346.475 1.517 20 10 EDCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCCN2CC[NH2+]CC2)c1[O-] ZINC000841031070 594841802 /nfs/dbraw/zinc/84/18/02/594841802.db2.gz WBOHVPRTJVELFH-UHFFFAOYSA-N 1 0 328.800 1.339 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCC[NH2+]1 ZINC000841707166 594940921 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OC[C@H](C[NH2+]Cc1c(O)cccc1Br)[C@@H]1CCOC1 ZINC000858161513 595716536 /nfs/dbraw/zinc/71/65/36/595716536.db2.gz SVQDGZSBUGRFAH-MNOVXSKESA-N 1 0 330.222 1.889 20 10 EDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858244613 595741331 /nfs/dbraw/zinc/74/13/31/595741331.db2.gz XUPUDPVJOAAWSF-LBPRGKRZSA-N 1 0 340.387 1.207 20 10 EDCDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CC[C@H](O)C2)ccc1N1CCCCC1 ZINC000858339153 595768944 /nfs/dbraw/zinc/76/89/44/595768944.db2.gz PXZVUWYZCDUEHC-INIZCTEOSA-N 1 0 348.447 1.741 20 10 EDCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000850342909 595813317 /nfs/dbraw/zinc/81/33/17/595813317.db2.gz OKPKVEFUAMXDOB-MAUKXSAKSA-N 1 0 338.423 1.803 20 10 EDCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000850342910 595813414 /nfs/dbraw/zinc/81/34/14/595813414.db2.gz OKPKVEFUAMXDOB-QAPCUYQASA-N 1 0 338.423 1.803 20 10 EDCDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853602295 595825987 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CN1CC(=O)N(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000851840342 595943731 /nfs/dbraw/zinc/94/37/31/595943731.db2.gz DBHYCRWRSCANLW-OAHLLOKOSA-N 1 0 347.415 1.267 20 10 EDCDRO C[C@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000851950865 595982804 /nfs/dbraw/zinc/98/28/04/595982804.db2.gz TUBPRIBLIVICPR-LIRRHRJNSA-N 1 0 327.428 1.776 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2)cc1 ZINC000852188083 596077716 /nfs/dbraw/zinc/07/77/16/596077716.db2.gz WGBHZUGRPUYOHC-CABCVRRESA-N 1 0 334.464 1.913 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000861767599 596095924 /nfs/dbraw/zinc/09/59/24/596095924.db2.gz OIRKZZFEMPZZLI-CZUORRHYSA-N 1 0 344.459 1.331 20 10 EDCDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc2cccnc2c1O ZINC000862026958 596186098 /nfs/dbraw/zinc/18/60/98/596186098.db2.gz FHHWYGYNLYVUMI-CYBMUJFWSA-N 1 0 329.400 1.525 20 10 EDCDRO COCCN(CC1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000869762306 596620975 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/nfs/dbraw/zinc/73/98/92/597739892.db2.gz CWAFBSSXPXWCOV-LLVKDONJSA-N 1 0 334.235 1.822 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC000879962696 597786691 /nfs/dbraw/zinc/78/66/91/597786691.db2.gz QPTFUZSTGIVTBZ-MRXNPFEDSA-N 1 0 333.476 1.852 20 10 EDCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cn[nH]c1 ZINC000883558844 597802500 /nfs/dbraw/zinc/80/25/00/597802500.db2.gz MZSFARJLLCUIJB-AWEZNQCLSA-N 1 0 342.447 1.722 20 10 EDCDRO C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884011229 597967948 /nfs/dbraw/zinc/96/79/48/597967948.db2.gz XNZGJOKGVDVZMZ-PZPSRYQVSA-N 1 0 341.459 1.958 20 10 EDCDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152491990 695168807 /nfs/dbraw/zinc/16/88/07/695168807.db2.gz XRSLZWLELCGJON-HIFRSBDPSA-N 1 0 335.423 1.934 20 10 EDCDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400717 695388680 /nfs/dbraw/zinc/38/86/80/695388680.db2.gz RWLCZMHGQKZSLK-RLFYNMQTSA-N 1 0 346.475 1.976 20 10 EDCDRO COc1ccc(-n2nnnc2C[NH2+]C2(C)CCN(C(C)=O)CC2)cc1 ZINC000939895120 700031210 /nfs/dbraw/zinc/03/12/10/700031210.db2.gz WMUODMNTNJNXIJ-UHFFFAOYSA-N 1 0 344.419 1.162 20 10 EDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CN1CCOCC1 ZINC000917013497 696876914 /nfs/dbraw/zinc/87/69/14/696876914.db2.gz DJFLILKUJVXHBQ-LJQANCHMSA-N 1 0 335.492 1.656 20 10 EDCDRO CCn1ccnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918852175 697216836 /nfs/dbraw/zinc/21/68/36/697216836.db2.gz IWLVPVOKKICURA-UHFFFAOYSA-N 1 0 327.432 1.585 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(F)ccc1O ZINC000185050509 698856492 /nfs/dbraw/zinc/85/64/92/698856492.db2.gz XNOWPEDBUBXOSW-NSHDSACASA-N 1 0 345.374 1.597 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000182466438 700818356 /nfs/dbraw/zinc/81/83/56/700818356.db2.gz RIOCVDYVTAWUBY-CMPLNLGQSA-N 1 0 336.348 1.217 20 10 EDCDRO CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000941242501 701420882 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EDCDRO Cn1ccn2c(CC[NH2+]Cc3ccc4c(c3)CCCO4)nnc2c1=O ZINC000922338974 711139593 /nfs/dbraw/zinc/13/95/93/711139593.db2.gz SHSIAZKYYWJGNC-UHFFFAOYSA-N 1 0 339.399 1.085 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093664462 237026883 /nfs/dbraw/zinc/02/68/83/237026883.db2.gz GNZSCFJUNLQHSK-IBGZPJMESA-N 1 0 345.487 1.677 20 10 EDCDRO C[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC[NH2+]C1 ZINC000237594589 249303195 /nfs/dbraw/zinc/30/31/95/249303195.db2.gz HEDKDWUZAUAGQC-HXUWFJFHSA-N 1 0 345.487 1.901 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000368905054 250201849 /nfs/dbraw/zinc/20/18/49/250201849.db2.gz MTDHVEQNXFHKSS-HKUYNNGSSA-N 1 0 331.460 1.868 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1 ZINC000370374678 250205586 /nfs/dbraw/zinc/20/55/86/250205586.db2.gz OFKDPQIETOXJJH-NSHDSACASA-N 1 0 332.408 1.244 20 10 EDCDRO CC[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000296575556 280190452 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CC(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCN(C)CC1 ZINC000079126515 442023188 /nfs/dbraw/zinc/02/31/88/442023188.db2.gz FHGVRRFSTOJKCU-KRWDZBQOSA-N 1 0 348.491 1.806 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000130659461 442352814 /nfs/dbraw/zinc/35/28/14/442352814.db2.gz YTDFNJGNUJBBSY-HZPDHXFCSA-N 1 0 332.448 1.003 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000182391037 442762778 /nfs/dbraw/zinc/76/27/78/442762778.db2.gz VFRCJTOCMQFQBF-XHDPSFHLSA-N 1 0 330.388 1.590 20 10 EDCDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)nn1 ZINC000184757774 443072931 /nfs/dbraw/zinc/07/29/31/443072931.db2.gz GMMMIPAEMQQVSJ-UHFFFAOYSA-N 1 0 343.431 1.968 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237828265 443183395 /nfs/dbraw/zinc/18/33/95/443183395.db2.gz YBOFCWKUMWKKSZ-HNNXBMFYSA-N 1 0 347.434 1.668 20 10 EDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000236839618 443150141 /nfs/dbraw/zinc/15/01/41/443150141.db2.gz WCSIIVBCLHKKJP-BBRMVZONSA-N 1 0 330.432 1.540 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(O)CCC3)cc2F)CC1 ZINC000185541541 443216327 /nfs/dbraw/zinc/21/63/27/443216327.db2.gz SWQZVEURMXWDJY-UHFFFAOYSA-N 1 0 335.423 1.499 20 10 EDCDRO CN(c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1)C1CCCCC1 ZINC000269249981 443250751 /nfs/dbraw/zinc/25/07/51/443250751.db2.gz OEUOPRVJBUHQCB-ZWKOTPCHSA-N 1 0 331.460 1.795 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264731724 443394664 /nfs/dbraw/zinc/39/46/64/443394664.db2.gz HAHGTGQTKFBFOL-GOSISDBHSA-N 1 0 347.507 1.530 20 10 EDCDRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000279047642 443501061 /nfs/dbraw/zinc/50/10/61/443501061.db2.gz KDJKFGSURFCXDY-QZTJIDSGSA-N 1 0 349.475 1.495 20 10 EDCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000273082870 443534572 /nfs/dbraw/zinc/53/45/72/443534572.db2.gz MRBSYIZFFCMBJD-INIZCTEOSA-N 1 0 331.460 1.871 20 10 EDCDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)N1 ZINC000273802484 443585762 /nfs/dbraw/zinc/58/57/62/443585762.db2.gz XGWWHONMFGQKLD-UHFFFAOYSA-N 1 0 342.443 1.851 20 10 EDCDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284798095 443789325 /nfs/dbraw/zinc/78/93/25/443789325.db2.gz ZSHASFMNYHKDTO-ROUUACIJSA-N 1 0 349.475 1.447 20 10 EDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527956668 320530411 /nfs/dbraw/zinc/53/04/11/320530411.db2.gz QXYYDWIXTQSXAX-KXBFYZLASA-N 1 0 334.460 1.967 20 10 EDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCn2cc(C(=O)OC)nn2)cc1 ZINC000284176151 443769003 /nfs/dbraw/zinc/76/90/03/443769003.db2.gz AERRVOXRLJHWTC-CYBMUJFWSA-N 1 0 331.420 1.872 20 10 EDCDRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000292132105 443777726 /nfs/dbraw/zinc/77/77/26/443777726.db2.gz RNNPJEOWLNPTQY-HNNXBMFYSA-N 1 0 349.450 1.935 20 10 EDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000289511085 444162515 /nfs/dbraw/zinc/16/25/15/444162515.db2.gz GTOPOFWPSHRTGT-ZFWWWQNUSA-N 1 0 326.462 1.898 20 10 EDCDRO CCCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c(O)c1 ZINC000289519422 444163254 /nfs/dbraw/zinc/16/32/54/444163254.db2.gz VEUXXDZAXDGWQK-UHFFFAOYSA-N 1 0 347.415 1.697 20 10 EDCDRO CC[N@H+](C)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301636500 444183002 /nfs/dbraw/zinc/18/30/02/444183002.db2.gz XABBPZOQVJWHPC-LLVKDONJSA-N 1 0 334.376 1.704 20 10 EDCDRO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)nn1 ZINC000289690807 444191402 /nfs/dbraw/zinc/19/14/02/444191402.db2.gz IDIQBDUTVZKAGU-SRCQZFHVSA-N 1 0 332.404 1.729 20 10 EDCDRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295982186 444197584 /nfs/dbraw/zinc/19/75/84/444197584.db2.gz NGYPSNGUHKKNIQ-OAHLLOKOSA-N 1 0 332.425 1.859 20 10 EDCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000297887654 444348776 /nfs/dbraw/zinc/34/87/76/444348776.db2.gz QMIVOWIETNTURK-YOEHRIQHSA-N 1 0 346.475 1.120 20 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/nfs/dbraw/zinc/36/08/78/446360878.db2.gz XMQLGRAJBHWFHI-JKOKRWQUSA-N 1 0 349.387 1.927 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000371088675 446621598 /nfs/dbraw/zinc/62/15/98/446621598.db2.gz OLOBONLVNQDORB-RDTXWAMCSA-N 1 0 330.432 1.563 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CCN3CCCOCC3)CC2)cc1 ZINC000368046998 446623129 /nfs/dbraw/zinc/62/31/29/446623129.db2.gz ZKSFSXSPUZSVSJ-UHFFFAOYSA-N 1 0 333.476 1.976 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1F ZINC000376968664 446828919 /nfs/dbraw/zinc/82/89/19/446828919.db2.gz RVLKZSLJQZMEHD-CYBMUJFWSA-N 1 0 346.410 1.419 20 10 EDCDRO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729052539 578557349 /nfs/dbraw/zinc/55/73/49/578557349.db2.gz MHQNZFVWNSPQJO-LBPRGKRZSA-N 1 0 325.409 1.339 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cn2cncn2)cc1 ZINC000729928996 578603955 /nfs/dbraw/zinc/60/39/55/578603955.db2.gz UIMJWSAMBGIIOE-QGZVFWFLSA-N 1 0 342.447 1.125 20 10 EDCDRO COCC[N@H+](C)CCCNC(=O)NCc1cc(OC)ccc1O ZINC000734065774 578795833 /nfs/dbraw/zinc/79/58/33/578795833.db2.gz DRSZGFWIZBUTFA-UHFFFAOYSA-N 1 0 325.409 1.168 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC3(C)C)CC2)cc1 ZINC000754066928 579895382 /nfs/dbraw/zinc/89/53/82/579895382.db2.gz NBLDDAWLXRTPRN-QGZVFWFLSA-N 1 0 333.476 1.662 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3ccco3)CC2)cc1 ZINC000758178665 579976305 /nfs/dbraw/zinc/97/63/05/579976305.db2.gz NNIHFCLAEQRDTC-QGZVFWFLSA-N 1 0 345.443 1.561 20 10 EDCDRO O=C(Cn1cncn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761980293 580064723 /nfs/dbraw/zinc/06/47/23/580064723.db2.gz AGIMABPAALXAFX-CQSZACIVSA-N 1 0 349.822 1.418 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(OCCCO)CC2)cc1OC ZINC000775726532 580398707 /nfs/dbraw/zinc/39/87/07/580398707.db2.gz ZNDCFCYEQKMMPG-UHFFFAOYSA-N 1 0 325.405 1.773 20 10 EDCDRO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000782386473 580573541 /nfs/dbraw/zinc/57/35/41/580573541.db2.gz LWXHOLDQYYDQIB-KRWDZBQOSA-N 1 0 338.423 1.539 20 10 EDCDRO CN(C)c1noc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000789555595 580749288 /nfs/dbraw/zinc/74/92/88/580749288.db2.gz LWSONNWKXIGOMH-UHFFFAOYSA-N 1 0 330.436 1.177 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C(=O)[O-])CCSC3)cc2)CC1 ZINC000789898088 580756376 /nfs/dbraw/zinc/75/63/76/580756376.db2.gz UBBVNFCEPOBYCG-QGZVFWFLSA-N 1 0 335.473 1.488 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000795649603 580932793 /nfs/dbraw/zinc/93/27/93/580932793.db2.gz FAODTWUNGZHPNN-CQSZACIVSA-N 1 0 342.461 1.565 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000800392750 581052175 /nfs/dbraw/zinc/05/21/75/581052175.db2.gz YTYAQHMVSURSNR-YVWKXTFCSA-N 1 0 347.503 1.956 20 10 EDCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806663072 590771767 /nfs/dbraw/zinc/77/17/67/590771767.db2.gz LNJCELNGPFOPAK-SKDRFNHKSA-N 1 0 327.406 1.819 20 10 EDCDRO CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000892193419 590857609 /nfs/dbraw/zinc/85/76/09/590857609.db2.gz MRASZCOZBFZEJE-RDJZCZTQSA-N 1 0 346.475 1.915 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cnn(C)c2)[NH+](C)C)cc1 ZINC000892264577 590897618 /nfs/dbraw/zinc/89/76/18/590897618.db2.gz CNBXAZRSUTXOLF-KRWDZBQOSA-N 1 0 344.463 1.588 20 10 EDCDRO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891242423 591013441 /nfs/dbraw/zinc/01/34/41/591013441.db2.gz GHBYRRSTYUPUCZ-XKQJLSEDSA-N 1 0 335.448 1.275 20 10 EDCDRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246808 591015981 /nfs/dbraw/zinc/01/59/81/591015981.db2.gz POLIWVBZBPGCJJ-QZTJIDSGSA-N 1 0 346.475 1.482 20 10 EDCDRO COC(=O)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891248778 591018976 /nfs/dbraw/zinc/01/89/76/591018976.db2.gz NVQVIWCJDNUPQH-HNNXBMFYSA-N 1 0 333.432 1.425 20 10 EDCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC000891251074 591019499 /nfs/dbraw/zinc/01/94/99/591019499.db2.gz DAAGLVCYOLTUGO-KRWDZBQOSA-N 1 0 327.432 1.884 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(C=O)[nH]2)[NH+](C)C)cc1 ZINC000891254121 591020926 /nfs/dbraw/zinc/02/09/26/591020926.db2.gz VTGOYOADPDACTP-KRWDZBQOSA-N 1 0 328.416 1.926 20 10 EDCDRO CN(C)C(=O)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253494 591020932 /nfs/dbraw/zinc/02/09/32/591020932.db2.gz SVHKCTXTCCLXMO-KRWDZBQOSA-N 1 0 348.491 1.730 20 10 EDCDRO COCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891253046 591020987 /nfs/dbraw/zinc/02/09/87/591020987.db2.gz PRBITIGTZJWERO-KRWDZBQOSA-N 1 0 346.431 1.920 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSC(=O)N2)[NH+](C)C)cc1 ZINC000891255212 591021374 /nfs/dbraw/zinc/02/13/74/591021374.db2.gz NUHPQUDKVBPNDS-KBPBESRZSA-N 1 0 336.461 1.297 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc[n+]([O-])cc2)[NH+](C)C)cc1 ZINC000891257115 591022442 /nfs/dbraw/zinc/02/24/42/591022442.db2.gz CPENLPCNKGTFEX-KRWDZBQOSA-N 1 0 328.416 1.419 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000891487313 591089780 /nfs/dbraw/zinc/08/97/80/591089780.db2.gz CNRJDILXLKPQHV-KGLIPLIRSA-N 1 0 332.448 1.795 20 10 EDCDRO CCN(C)C(=O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894290893 591267924 /nfs/dbraw/zinc/26/79/24/591267924.db2.gz WHWJYVUUJXQYCC-MRXNPFEDSA-N 1 0 349.479 1.133 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000894752077 591407428 /nfs/dbraw/zinc/40/74/28/591407428.db2.gz HAHYJPGIWHFGPN-CQSZACIVSA-N 1 0 342.461 1.613 20 10 EDCDRO O=C(NCCCSc1nccs1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896333314 591424160 /nfs/dbraw/zinc/42/41/60/591424160.db2.gz FQQZFKMCIYLWGB-GFCCVEGCSA-N 1 0 327.475 1.462 20 10 EDCDRO CN(C)c1ccc([C@@H](CNc2ccc3nncn3n2)[NH+](C)C)cc1 ZINC000897524848 591527174 /nfs/dbraw/zinc/52/71/74/591527174.db2.gz FPVXRAOWMOFRNF-OAHLLOKOSA-N 1 0 325.420 1.905 20 10 EDCDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895143877 591616371 /nfs/dbraw/zinc/61/63/71/591616371.db2.gz DKMOIPATSWFYNQ-UHFFFAOYSA-N 1 0 330.392 1.692 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@H]2C[C@@H](O)C2)[NH+](C)C)cc1 ZINC000899098682 591688031 /nfs/dbraw/zinc/68/80/31/591688031.db2.gz QXRXOTWIJGWVNV-QGTPRVQTSA-N 1 0 348.491 1.768 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000895266341 591688219 /nfs/dbraw/zinc/68/82/19/591688219.db2.gz JICWBFJLUVIRKT-UHFFFAOYSA-N 1 0 331.420 1.535 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)C2CC2)[NH+](C)C)cc1 ZINC000899101060 591689892 /nfs/dbraw/zinc/68/98/92/591689892.db2.gz HOVZBEOTOCMBMS-SJORKVTESA-N 1 0 334.464 1.425 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C)CC2)[NH+](C)C)cc1 ZINC000899100603 591689899 /nfs/dbraw/zinc/68/98/99/591689899.db2.gz AXYPRZLQDCUVIB-QGZVFWFLSA-N 1 0 333.480 1.312 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)cc1OC ZINC000897022932 591717127 /nfs/dbraw/zinc/71/71/27/591717127.db2.gz KLRMQNOJSUGKLV-ZDUSSCGKSA-N 1 0 336.388 1.730 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000900025776 591874663 /nfs/dbraw/zinc/87/46/63/591874663.db2.gz GZJHGMQUOAEKPI-PKOBYXMFSA-N 1 0 333.476 1.946 20 10 EDCDRO COC[C@@]1(C)NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900184405 591932731 /nfs/dbraw/zinc/93/27/31/591932731.db2.gz BSWLPCUTUVVTOQ-CRAIPNDOSA-N 1 0 348.447 1.312 20 10 EDCDRO COC(=O)/C=C\c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000900368317 591998449 /nfs/dbraw/zinc/99/84/49/591998449.db2.gz BONKHKIAWXPHQH-XEKFUKFUSA-N 1 0 331.372 1.969 20 10 EDCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)CC1 ZINC000903075633 592116077 /nfs/dbraw/zinc/11/60/77/592116077.db2.gz AUCBLSOBJGVSEP-UXHICEINSA-N 1 0 346.471 1.933 20 10 EDCDRO CCOCCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908457273 592507620 /nfs/dbraw/zinc/50/76/20/592507620.db2.gz AVSUVNAKGYTQSH-MRXNPFEDSA-N 1 0 343.493 1.311 20 10 EDCDRO C[NH+]1CCN(c2cccc(C(=O)NCc3ccc(O)cc3O)n2)CC1 ZINC000910949359 592903683 /nfs/dbraw/zinc/90/36/83/592903683.db2.gz KGIXUMGHTRXWIU-UHFFFAOYSA-N 1 0 342.399 1.175 20 10 EDCDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(O)cc2O)cn1 ZINC000910942929 592905282 /nfs/dbraw/zinc/90/52/82/592905282.db2.gz ISNRJFONBLNMOE-JKSUJKDBSA-N 1 0 344.415 1.183 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549725 592943718 /nfs/dbraw/zinc/94/37/18/592943718.db2.gz KRMRAALUIOJIAA-QLFBSQMISA-N 1 0 331.416 1.140 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000911891994 593031859 /nfs/dbraw/zinc/03/18/59/593031859.db2.gz ICODQWNOWQQGCA-IBGZPJMESA-N 1 0 349.475 1.437 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000807100784 593144853 /nfs/dbraw/zinc/14/48/53/593144853.db2.gz QQTWVPQXAORVRK-UHFFFAOYSA-N 1 0 346.475 1.231 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000839220728 593278274 /nfs/dbraw/zinc/27/82/74/593278274.db2.gz OQFMBHNTTAPMFW-UHFFFAOYSA-N 1 0 334.464 1.121 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCOC[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000809698161 593355891 /nfs/dbraw/zinc/35/58/91/593355891.db2.gz AOPBJFOAIRZPNF-VQTJNVASSA-N 1 0 345.487 1.818 20 10 EDCDRO COc1cc(O)c(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1OC ZINC000757942303 593389645 /nfs/dbraw/zinc/38/96/45/593389645.db2.gz ZVBDKXBGQIMJIL-UHFFFAOYSA-N 1 0 342.395 1.985 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3CC(C4CC4)C3)CC2)cc1 ZINC000812312752 593495787 /nfs/dbraw/zinc/49/57/87/593495787.db2.gz FTUMBKXAFMPYIU-IBGZPJMESA-N 1 0 345.487 1.520 20 10 EDCDRO C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817882068 593643863 /nfs/dbraw/zinc/64/38/63/593643863.db2.gz XFUJIQMEOQTLEJ-RDJZCZTQSA-N 1 0 331.460 1.981 20 10 EDCDRO C[NH2+]CCN(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817920902 593649113 /nfs/dbraw/zinc/64/91/13/593649113.db2.gz XXQUTOYSMGAPCF-UHFFFAOYSA-N 1 0 346.475 1.313 20 10 EDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000818341810 593693956 /nfs/dbraw/zinc/69/39/56/593693956.db2.gz GUYDTMLOEXIFKN-LSDHHAIUSA-N 1 0 338.473 1.688 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000818654454 593710387 /nfs/dbraw/zinc/71/03/87/593710387.db2.gz BFOJQMGRHIWIBO-ARFHVFGLSA-N 1 0 346.475 1.900 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)C2)cc1 ZINC000818655110 593710503 /nfs/dbraw/zinc/71/05/03/593710503.db2.gz IWEYTCKRCFNENM-ARFHVFGLSA-N 1 0 346.475 1.900 20 10 EDCDRO COCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818977992 593731807 /nfs/dbraw/zinc/73/18/07/593731807.db2.gz BYABLIRRRQCXCP-QAPCUYQASA-N 1 0 338.448 1.198 20 10 EDCDRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000820425642 593818062 /nfs/dbraw/zinc/81/80/62/593818062.db2.gz ZRWMOQVEQWAFGH-OAHLLOKOSA-N 1 0 349.450 1.745 20 10 EDCDRO Cc1cc(O)c(CN2CC[NH+](CCC(=O)N(C)C)CC2)cc1Cl ZINC000824883605 594090302 /nfs/dbraw/zinc/09/03/02/594090302.db2.gz MCWXABFDLXKQJX-UHFFFAOYSA-N 1 0 339.867 1.950 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824905899 594094739 /nfs/dbraw/zinc/09/47/39/594094739.db2.gz HUVGTHAGAFNYKO-GFCCVEGCSA-N 1 0 332.853 1.868 20 10 EDCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H]1CN(C)CCO1 ZINC000825357800 594172729 /nfs/dbraw/zinc/17/27/29/594172729.db2.gz KFGVTWXRYWTIKH-YGRLFVJLSA-N 1 0 329.238 1.963 20 10 EDCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC[NH2+]1 ZINC000830664698 594451163 /nfs/dbraw/zinc/45/11/63/594451163.db2.gz MACSFFSHSJZIQF-BXUZGUMPSA-N 1 0 325.359 1.735 20 10 EDCDRO Oc1ccccc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826511421 594510685 /nfs/dbraw/zinc/51/06/85/594510685.db2.gz OYQHIMFXPYTXAV-UHFFFAOYSA-N 1 0 337.387 1.290 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)cc1F ZINC000831213099 594582438 /nfs/dbraw/zinc/58/24/38/594582438.db2.gz ZWYDDLGSXVCGBL-CHWSQXEVSA-N 1 0 338.427 1.792 20 10 EDCDRO COc1cc(Br)cc(CN(C)Cc2cn(C)nn2)c1O ZINC000827305496 594659729 /nfs/dbraw/zinc/65/97/29/594659729.db2.gz TVZBZOKDDLPXLG-UHFFFAOYSA-N 1 0 341.209 1.924 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000827340962 594662717 /nfs/dbraw/zinc/66/27/17/594662717.db2.gz NNOJXWMUAQIOMT-MRXNPFEDSA-N 1 0 332.448 1.017 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CSCCS2)cc1 ZINC000832265883 594738905 /nfs/dbraw/zinc/73/89/05/594738905.db2.gz AXKFAOSQITVUAI-KBPBESRZSA-N 1 0 325.503 1.717 20 10 EDCDRO Cc1ncc(Cl)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832274568 594739574 /nfs/dbraw/zinc/73/95/74/594739574.db2.gz VYZLVPDQFQYRHS-AWEZNQCLSA-N 1 0 333.823 1.934 20 10 EDCDRO Cc1ccn2ncc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)c2n1 ZINC000832280288 594739885 /nfs/dbraw/zinc/73/98/85/594739885.db2.gz ORHRDFPELLGNSG-INIZCTEOSA-N 1 0 338.415 1.534 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCCCCC2=O)cc1 ZINC000832282016 594740118 /nfs/dbraw/zinc/74/01/18/594740118.db2.gz XHKYAVGEDJQDKF-MRXNPFEDSA-N 1 0 332.448 1.271 20 10 EDCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841007909 594837931 /nfs/dbraw/zinc/83/79/31/594837931.db2.gz JVDQLGGLLWMBJG-AWEZNQCLSA-N 1 0 332.448 1.978 20 10 EDCDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019467 594840451 /nfs/dbraw/zinc/84/04/51/594840451.db2.gz IHKCPKRBEPSULD-KRWDZBQOSA-N 1 0 340.427 1.496 20 10 EDCDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841740853 594945799 /nfs/dbraw/zinc/94/57/99/594945799.db2.gz KQGOKBRNSFQLAO-RHSMWYFYSA-N 1 0 334.464 1.867 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841824172 594958435 /nfs/dbraw/zinc/95/84/35/594958435.db2.gz MHUIGYDWFQLKHP-CQSZACIVSA-N 1 0 326.391 1.857 20 10 EDCDRO CC[C@@H]([NH3+])CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915528 594980852 /nfs/dbraw/zinc/98/08/52/594980852.db2.gz RCKLDKQOZZVXFU-GFCCVEGCSA-N 1 0 342.390 1.338 20 10 EDCDRO O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCC[NH2+]C1 ZINC000841925193 594982744 /nfs/dbraw/zinc/98/27/44/594982744.db2.gz BHBAUAWPPBXKDM-SNVBAGLBSA-N 1 0 342.237 1.954 20 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/nfs/dbraw/zinc/02/38/72/595023872.db2.gz QOOBMVAAHZHCCD-HOTGVXAUSA-N 1 0 344.459 1.071 20 10 EDCDRO CN(c1ccc(CNC(=O)C(=O)NCCC[NH3+])cc1)C1CCCCC1 ZINC000842150477 595023981 /nfs/dbraw/zinc/02/39/81/595023981.db2.gz SOZGIODPYCAYIV-UHFFFAOYSA-N 1 0 346.475 1.537 20 10 EDCDRO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000842204001 595038054 /nfs/dbraw/zinc/03/80/54/595038054.db2.gz ZRLRXMJHTLPTMR-RHSMWYFYSA-N 1 0 346.475 1.386 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000842208394 595039283 /nfs/dbraw/zinc/03/92/83/595039283.db2.gz TVKFUMUUKCJGTB-HOCLYGCPSA-N 1 0 346.475 1.406 20 10 EDCDRO C[C@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842254312 595056718 /nfs/dbraw/zinc/05/67/18/595056718.db2.gz UBLZNSBTFVVNEA-CYBMUJFWSA-N 1 0 345.399 1.368 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000842266859 595060430 /nfs/dbraw/zinc/06/04/30/595060430.db2.gz SVBVFDAZDWYBIP-HOCLYGCPSA-N 1 0 347.459 1.778 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)CC1 ZINC000843499509 595132427 /nfs/dbraw/zinc/13/24/27/595132427.db2.gz IGSSDTBOVQPXHI-QGZVFWFLSA-N 1 0 346.475 1.345 20 10 EDCDRO COC(=O)c1cc2ccccc2c(C[N@H+](C)CCNC(C)=O)c1O ZINC000842632792 595151031 /nfs/dbraw/zinc/15/10/31/595151031.db2.gz ZSVOMIPAQCGQBA-UHFFFAOYSA-N 1 0 330.384 1.900 20 10 EDCDRO C[N@@H+]1CC[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000837709808 595174298 /nfs/dbraw/zinc/17/42/98/595174298.db2.gz RJGOLVPDLOQDQN-ZDUSSCGKSA-N 1 0 339.386 1.369 20 10 EDCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000835071900 595256825 /nfs/dbraw/zinc/25/68/25/595256825.db2.gz YULHDNOXXIPIIS-NSHDSACASA-N 1 0 329.356 1.941 20 10 EDCDRO COc1c([O-])c(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843056582 595276301 /nfs/dbraw/zinc/27/63/01/595276301.db2.gz RBEPMTRUWDBNCJ-UHFFFAOYSA-N 1 0 339.392 1.639 20 10 EDCDRO COc1cc(N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000843119618 595291390 /nfs/dbraw/zinc/29/13/90/595291390.db2.gz VUUJVNQZJFIXJO-LJQANCHMSA-N 1 0 349.475 1.834 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000844218126 595304989 /nfs/dbraw/zinc/30/49/89/595304989.db2.gz SGFCAZSFCSNLBL-QGZVFWFLSA-N 1 0 346.475 1.157 20 10 EDCDRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399541 595337307 /nfs/dbraw/zinc/33/73/07/595337307.db2.gz LGUQVEHFYNXRQS-CYBMUJFWSA-N 1 0 336.436 1.297 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000844400629 595337586 /nfs/dbraw/zinc/33/75/86/595337586.db2.gz DVHGGRQGZCOOBD-UHFFFAOYSA-N 1 0 328.478 1.888 20 10 EDCDRO Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848613108 595417912 /nfs/dbraw/zinc/41/79/12/595417912.db2.gz CZYUJZARGZSZAV-SJORKVTESA-N 1 0 344.459 1.061 20 10 EDCDRO CC(C)(C)NC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849070078 595477933 /nfs/dbraw/zinc/47/79/33/595477933.db2.gz CEPWAVFVOXMTMH-CQSZACIVSA-N 1 0 331.464 1.801 20 10 EDCDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000108562920 595520137 /nfs/dbraw/zinc/52/01/37/595520137.db2.gz NFCUCYKOMAAGMP-QGZVFWFLSA-N 1 0 346.475 1.664 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccc(N)c2)cc1 ZINC000850586649 595538432 /nfs/dbraw/zinc/53/84/32/595538432.db2.gz BCTZLNUUIGOPIS-INIZCTEOSA-N 1 0 334.445 1.313 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852805998 595550789 /nfs/dbraw/zinc/55/07/89/595550789.db2.gz BERZJOODZHDGAY-AWEZNQCLSA-N 1 0 327.432 1.791 20 10 EDCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858243450 595741154 /nfs/dbraw/zinc/74/11/54/595741154.db2.gz HWTNUCMIHPKMHW-LLVKDONJSA-N 1 0 344.806 1.852 20 10 EDCDRO COc1cc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c(O)c(C(C)(C)C)c1 ZINC000850279010 595795763 /nfs/dbraw/zinc/79/57/63/595795763.db2.gz MTNQXWYNQUCELA-GFCCVEGCSA-N 1 0 335.404 1.418 20 10 EDCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000858490207 595808698 /nfs/dbraw/zinc/80/86/98/595808698.db2.gz VNGHISWVJGCGGA-ZIAGYGMSSA-N 1 0 336.399 1.686 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)cc1F ZINC000850358597 595817690 /nfs/dbraw/zinc/81/76/90/595817690.db2.gz SJRQAELTKZYAGE-GOSISDBHSA-N 1 0 340.439 1.930 20 10 EDCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406734 595828695 /nfs/dbraw/zinc/82/86/95/595828695.db2.gz RNXYFPLUMPQVJS-UHFFFAOYSA-N 1 0 329.448 1.857 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000851664357 595874748 /nfs/dbraw/zinc/87/47/48/595874748.db2.gz XXNITFMFSDFAOM-JKIFEVAISA-N 1 0 332.448 1.571 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC3(C[NH3+])CC3)C2)cc1 ZINC000851668179 595877203 /nfs/dbraw/zinc/87/72/03/595877203.db2.gz CXSIKSMGRYFTKD-CQSZACIVSA-N 1 0 332.448 1.702 20 10 EDCDRO [NH3+]CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1 ZINC000861556769 596029107 /nfs/dbraw/zinc/02/91/07/596029107.db2.gz HLAJGBNXNBPDTK-UHFFFAOYSA-N 1 0 332.448 1.594 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000861690806 596069921 /nfs/dbraw/zinc/06/99/21/596069921.db2.gz ULSIZVQTMIGXEO-LSDHHAIUSA-N 1 0 334.464 1.913 20 10 EDCDRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852187451 596077424 /nfs/dbraw/zinc/07/74/24/596077424.db2.gz OLCCAUUHBDSMAZ-MRXNPFEDSA-N 1 0 346.475 1.541 20 10 EDCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861766168 596095175 /nfs/dbraw/zinc/09/51/75/596095175.db2.gz CIRXLONJYUJDSW-YOEHRIQHSA-N 1 0 346.475 1.386 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+](C3CC3)C3CC3)CC2)cc1 ZINC000859626924 596151162 /nfs/dbraw/zinc/15/11/62/596151162.db2.gz HQYAWUSIQJBZLK-IBGZPJMESA-N 1 0 345.487 1.805 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@@H](C)C(O)[C@H](C)C1)cc2=O ZINC000852503460 596184750 /nfs/dbraw/zinc/18/47/50/596184750.db2.gz OTFAULOAYUMNRP-GHMZBOCLSA-N 1 0 348.403 1.060 20 10 EDCDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000857304939 596209720 /nfs/dbraw/zinc/20/97/20/596209720.db2.gz VLEJIUVGEAAVOT-NSHDSACASA-N 1 0 327.400 1.239 20 10 EDCDRO COCCN(Cc1c(O)cccc1Br)[C@@H](C)C(N)=O ZINC000862239772 596284645 /nfs/dbraw/zinc/28/46/45/596284645.db2.gz DEJKQIZHVMNXDU-VIFPVBQESA-N 1 0 331.210 1.477 20 10 EDCDRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1O ZINC000868049184 596669074 /nfs/dbraw/zinc/66/90/74/596669074.db2.gz SDWYCFMNDHAPKU-OAHLLOKOSA-N 1 0 334.464 1.780 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1 ZINC000865768281 596674448 /nfs/dbraw/zinc/67/44/48/596674448.db2.gz ZEKBFAQBWRXCHF-GOSISDBHSA-N 1 0 333.432 1.844 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3CC34CCC4)CC2)cc1 ZINC000872250272 596853351 /nfs/dbraw/zinc/85/33/51/596853351.db2.gz HIEMFVQXVVOSBI-HKUYNNGSSA-N 1 0 345.487 1.710 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCCNC2=O)cc1Cn1cccn1 ZINC000873010618 597159127 /nfs/dbraw/zinc/15/91/27/597159127.db2.gz NHOOCVAWPBIORM-MRXNPFEDSA-N 1 0 328.416 1.698 20 10 EDCDRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000876528147 597231653 /nfs/dbraw/zinc/23/16/53/597231653.db2.gz MGFDKIBEOPDYSP-GOSISDBHSA-N 1 0 326.444 1.387 20 10 EDCDRO NC(=O)CC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876592702 597253522 /nfs/dbraw/zinc/25/35/22/597253522.db2.gz HBKNIACAZRAOKL-UHFFFAOYSA-N 1 0 331.460 1.735 20 10 EDCDRO C[C@@H]1C[N@@H+](CCCNC(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 ZINC000875042109 597256852 /nfs/dbraw/zinc/25/68/52/597256852.db2.gz LAJVWHLJYOQYEH-OKILXGFUSA-N 1 0 333.432 1.917 20 10 EDCDRO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876621063 597264581 /nfs/dbraw/zinc/26/45/81/597264581.db2.gz UPPVZKRVTFRPJD-LVDDQXARSA-N 1 0 349.456 1.040 20 10 EDCDRO C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000876739179 597315875 /nfs/dbraw/zinc/31/58/75/597315875.db2.gz AKHALLAQLKUASD-KXBFYZLASA-N 1 0 347.459 1.456 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000876910185 597381102 /nfs/dbraw/zinc/38/11/02/597381102.db2.gz VIKJUJZYXLXXIZ-KRWDZBQOSA-N 1 0 342.443 1.019 20 10 EDCDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876931758 597388649 /nfs/dbraw/zinc/38/86/49/597388649.db2.gz VBFDXVZJMYTRIO-UHFFFAOYSA-N 1 0 326.462 1.994 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)c3c(C[NH3+])cnn3C)C2)cc1 ZINC000876931851 597389269 /nfs/dbraw/zinc/38/92/69/597389269.db2.gz XHZLJQNXQMCFBA-CYBMUJFWSA-N 1 0 343.431 1.144 20 10 EDCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c(O)c1 ZINC000877047339 597421373 /nfs/dbraw/zinc/42/13/73/597421373.db2.gz XHCARBKWDAZSOC-HNNXBMFYSA-N 1 0 342.461 1.279 20 10 EDCDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877057115 597423829 /nfs/dbraw/zinc/42/38/29/597423829.db2.gz UOSUEBVWNSMSLB-JKSUJKDBSA-N 1 0 331.460 1.781 20 10 EDCDRO CN1C(=O)[C@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@H]2C1=O ZINC000877719259 597550650 /nfs/dbraw/zinc/55/06/50/597550650.db2.gz RQBTWOIMUUNKFS-DTORHVGOSA-N 1 0 339.189 1.201 20 10 EDCDRO O=C1NCCC12CC[NH+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000877782376 597555908 /nfs/dbraw/zinc/55/59/08/597555908.db2.gz VGGBNOGUJIKOSF-UHFFFAOYSA-N 1 0 343.471 1.750 20 10 EDCDRO Cc1nnc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000883208259 597685687 /nfs/dbraw/zinc/68/56/87/597685687.db2.gz BYDCFCPUYRRBBM-UHFFFAOYSA-N 1 0 344.419 1.129 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1C ZINC000883372044 597726340 /nfs/dbraw/zinc/72/63/40/597726340.db2.gz JVGBQMZYFCMXAR-LJQANCHMSA-N 1 0 347.503 1.895 20 10 EDCDRO COc1ccc(N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000131761028 597739327 /nfs/dbraw/zinc/73/93/27/597739327.db2.gz FGSQHOOEBYOWKR-UHFFFAOYSA-N 1 0 347.459 1.883 20 10 EDCDRO Cc1nn(C)c(C)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849745 597753234 /nfs/dbraw/zinc/75/32/34/597753234.db2.gz VPQBMCMKTQKVGO-UHFFFAOYSA-N 1 0 341.459 1.719 20 10 EDCDRO COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855171 597757082 /nfs/dbraw/zinc/75/70/82/597757082.db2.gz QAIUJRZMAXVNPK-DLBZAZTESA-N 1 0 345.443 1.254 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)cc1 ZINC000879189597 597844657 /nfs/dbraw/zinc/84/46/57/597844657.db2.gz MZHQHTDZDXWULJ-GOSISDBHSA-N 1 0 341.459 1.881 20 10 EDCDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400714 695388856 /nfs/dbraw/zinc/38/88/56/695388856.db2.gz RWLCZMHGQKZSLK-DAYGRLMNSA-N 1 0 346.475 1.976 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923598713 696924179 /nfs/dbraw/zinc/92/41/79/696924179.db2.gz YJJFFJVLMTVANF-UHFFFAOYSA-N 1 0 340.493 1.113 20 10 EDCDRO COc1ccc(O)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000180032847 698526463 /nfs/dbraw/zinc/52/64/63/698526463.db2.gz JPYIKQBFOHXUMU-UHFFFAOYSA-N 1 0 333.432 1.141 20 10 EDCDRO COc1ccc(C[NH2+]C2(C)CCN(C(=O)c3nc[nH]n3)CC2)cc1C ZINC000940386250 700561484 /nfs/dbraw/zinc/56/14/84/700561484.db2.gz YJYMIAWJICRDDU-UHFFFAOYSA-N 1 0 343.431 1.906 20 10 EDCDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2=O)n(C)n1 ZINC000921793836 708050728 /nfs/dbraw/zinc/05/07/28/708050728.db2.gz MRXRXPOGBONXOY-INIZCTEOSA-N 1 0 340.427 1.949 20 10 EDCDRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921832905 708127986 /nfs/dbraw/zinc/12/79/86/708127986.db2.gz DNRYUYBISMLBTL-HZPDHXFCSA-N 1 0 338.473 1.819 20 10 EDCDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC(=O)N1C ZINC000922119744 709761233 /nfs/dbraw/zinc/76/12/33/709761233.db2.gz WHGWKTRSGZSXGW-DNVCBOLYSA-N 1 0 340.427 1.807 20 10 EDCDRO COc1ccc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc1Cn1cccn1 ZINC000922484284 711601265 /nfs/dbraw/zinc/60/12/65/711601265.db2.gz IXSDKYPNFALOTD-MRXNPFEDSA-N 1 0 342.443 1.898 20 10 EDCDRO O=C(CC1CC[NH2+]CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000237679943 249303190 /nfs/dbraw/zinc/30/31/90/249303190.db2.gz PUTYIFTZUPHSAO-UHFFFAOYSA-N 1 0 335.423 1.668 20 10 EDCDRO COc1cccc(C[N@@H+]2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)c1O ZINC000372417994 250219802 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EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]([NH+](C)C)C1)cc2=O ZINC000109808024 441509171 /nfs/dbraw/zinc/50/91/71/441509171.db2.gz FQMCHWFSJSEBKS-CYBMUJFWSA-N 1 0 347.419 1.138 20 10 EDCDRO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092188667 441777099 /nfs/dbraw/zinc/77/70/99/441777099.db2.gz WMHQEMNUJFRDFK-GOSISDBHSA-N 1 0 344.459 1.513 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ncccn3)CC1)OCO2 ZINC000093056696 441856030 /nfs/dbraw/zinc/85/60/30/441856030.db2.gz WWJXEIPBJDKXJX-UHFFFAOYSA-N 1 0 328.372 1.623 20 10 EDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1O ZINC000079464406 442049415 /nfs/dbraw/zinc/04/94/15/442049415.db2.gz CFUSUXKSHZJNIO-CQSZACIVSA-N 1 0 336.407 1.888 20 10 EDCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163557813 442173823 /nfs/dbraw/zinc/17/38/23/442173823.db2.gz PFEHKJVFYCBMCM-ZDUSSCGKSA-N 1 0 344.452 1.748 20 10 EDCDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000165412456 442209124 /nfs/dbraw/zinc/20/91/24/442209124.db2.gz MNALFJVYNNARBG-LSDHHAIUSA-N 1 0 335.423 1.796 20 10 EDCDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000165417032 442209206 /nfs/dbraw/zinc/20/92/06/442209206.db2.gz XKYRCDSFBOFKER-LSDHHAIUSA-N 1 0 349.450 1.921 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C)(CO)CC2)cc1 ZINC000186956381 442635916 /nfs/dbraw/zinc/63/59/16/442635916.db2.gz QAYYEHGVWNRHEC-UHFFFAOYSA-N 1 0 333.476 1.805 20 10 EDCDRO CC[NH+](CC)CCSCC(=O)NCCc1ccc(O)c(O)c1 ZINC000157963504 442632812 /nfs/dbraw/zinc/63/28/12/442632812.db2.gz VOCOYQHFBPMWFY-UHFFFAOYSA-N 1 0 326.462 1.832 20 10 EDCDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC000192540709 442660495 /nfs/dbraw/zinc/66/04/95/442660495.db2.gz TVYQCKSZGURILV-BWNRDHJKSA-N 1 0 341.455 1.556 20 10 EDCDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(O)c1O ZINC000189920443 443028929 /nfs/dbraw/zinc/02/89/29/443028929.db2.gz ZAVWOMPKCJWTRV-OAHLLOKOSA-N 1 0 342.395 1.594 20 10 EDCDRO C[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000269254079 443252531 /nfs/dbraw/zinc/25/25/31/443252531.db2.gz HBFINMAMMTZJIJ-BRLCTZTBSA-N 1 0 329.444 1.732 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269264467 443258223 /nfs/dbraw/zinc/25/82/23/443258223.db2.gz OMQZCWSNZNBBTM-SFHVURJKSA-N 1 0 331.460 1.918 20 10 EDCDRO CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264628421 443353913 /nfs/dbraw/zinc/35/39/13/443353913.db2.gz UENIGHZUBRGESK-CQSZACIVSA-N 1 0 335.404 1.219 20 10 EDCDRO C[C@H]1CN(CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000282823403 443443225 /nfs/dbraw/zinc/44/32/25/443443225.db2.gz YTLVRRXESWEHSP-KRWDZBQOSA-N 1 0 333.476 1.676 20 10 EDCDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2O)C1 ZINC000271126386 443491240 /nfs/dbraw/zinc/49/12/40/443491240.db2.gz HLVRTDBSGHNXBY-ZFWWWQNUSA-N 1 0 336.432 1.764 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000273428391 443571234 /nfs/dbraw/zinc/57/12/34/443571234.db2.gz UZDIMFUKBYRYNV-AWEZNQCLSA-N 1 0 349.475 1.855 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000279838962 443631239 /nfs/dbraw/zinc/63/12/39/443631239.db2.gz ZQVIUCYYWJOCCO-SFHVURJKSA-N 1 0 329.444 1.971 20 10 EDCDRO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000275704998 443638708 /nfs/dbraw/zinc/63/87/08/443638708.db2.gz XWFSAGKLDNXWPD-AWEZNQCLSA-N 1 0 332.379 1.925 20 10 EDCDRO CCOC(=O)[C@@](C)(O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000274668651 443609615 /nfs/dbraw/zinc/60/96/15/443609615.db2.gz RTPLPLXZQNXLCP-QAPCUYQASA-N 1 0 337.416 1.687 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1O ZINC000284544620 443779038 /nfs/dbraw/zinc/77/90/38/443779038.db2.gz MAJFVZMAZRHPDY-MAUKXSAKSA-N 1 0 348.443 1.893 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1F ZINC000284623778 443782426 /nfs/dbraw/zinc/78/24/26/443782426.db2.gz SULQZPSQUMMION-RDTXWAMCSA-N 1 0 345.422 1.735 20 10 EDCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000277083437 443907348 /nfs/dbraw/zinc/90/73/48/443907348.db2.gz JYVDHBBTLHALRR-SNVBAGLBSA-N 1 0 335.857 1.529 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000289222531 444079996 /nfs/dbraw/zinc/07/99/96/444079996.db2.gz COZNKFKJCSZZMY-DOMZBBRYSA-N 1 0 342.461 1.598 20 10 EDCDRO COCCOC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294956558 444161908 /nfs/dbraw/zinc/16/19/08/444161908.db2.gz MZYUFZIBODNZSO-DLBZAZTESA-N 1 0 339.432 1.397 20 10 EDCDRO COc1c(O)c(CN2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364590743 445935011 /nfs/dbraw/zinc/93/50/11/445935011.db2.gz QRXSLQMCZYDTLF-LBPRGKRZSA-N 1 0 339.392 1.198 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H](CO)C1)cc2=O ZINC000374053916 446349206 /nfs/dbraw/zinc/34/92/06/446349206.db2.gz ZNQKKCRLZNXSPW-LBPRGKRZSA-N 1 0 348.403 1.206 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631563923 450659766 /nfs/dbraw/zinc/65/97/66/450659766.db2.gz ZLIRDHQMYGLWAE-UHFFFAOYSA-N 1 0 343.431 1.550 20 10 EDCDRO Cn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC000742371268 579450192 /nfs/dbraw/zinc/45/01/92/579450192.db2.gz MXRHZOOWSCRHAX-AWEZNQCLSA-N 1 0 335.839 1.928 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](OC)C1)cc2=O ZINC000728056193 578542800 /nfs/dbraw/zinc/54/28/00/578542800.db2.gz JGCHPRWIYFZVSY-GFCCVEGCSA-N 1 0 334.376 1.222 20 10 EDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc(O)c3)cc2)CC1 ZINC000733330632 578759833 /nfs/dbraw/zinc/75/98/33/578759833.db2.gz FYASBYFTEPQXGY-UHFFFAOYSA-N 1 0 346.452 1.917 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1CCCO)cc2=O ZINC000735870511 578934538 /nfs/dbraw/zinc/93/45/38/578934538.db2.gz AQAUWKNLYHHHQE-ZDUSSCGKSA-N 1 0 348.403 1.349 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@H]3C(C)C)CC2)cc1 ZINC000759073607 579997947 /nfs/dbraw/zinc/99/79/47/579997947.db2.gz YZXPJVCOVFRUPC-UYAOXDASSA-N 1 0 347.503 1.908 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccccn3)CC1)[C@@H](O)CO2 ZINC000768437801 580212746 /nfs/dbraw/zinc/21/27/46/580212746.db2.gz HZLVKTKDOLNMGX-INIZCTEOSA-N 1 0 327.384 1.535 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)[C@H](O)CO2 ZINC000768463674 580213858 /nfs/dbraw/zinc/21/38/58/580213858.db2.gz VOPMXFJWEWZVAP-MLGOLLRUSA-N 1 0 330.388 1.322 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000768463328 580213907 /nfs/dbraw/zinc/21/39/07/580213907.db2.gz GSPURSNZZIQZQM-ZDUSSCGKSA-N 1 0 328.434 1.223 20 10 EDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCN1CC(F)F ZINC000768466326 580214230 /nfs/dbraw/zinc/21/42/30/580214230.db2.gz ZCCAZQBGSWMKGK-DOMZBBRYSA-N 1 0 342.386 1.979 20 10 EDCDRO CCOc1cccc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)c1O ZINC000769466515 580237798 /nfs/dbraw/zinc/23/77/98/580237798.db2.gz KYMJHZHZCYJMKK-UHFFFAOYSA-N 1 0 344.415 1.207 20 10 EDCDRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769505845 580238646 /nfs/dbraw/zinc/23/86/46/580238646.db2.gz JCWJSKUDOUCZIR-UHFFFAOYSA-N 1 0 325.840 1.642 20 10 EDCDRO COc1cc(N2CC[NH+](CCC[C@@H](C)O)CC2)cc(OC)c1OC ZINC000789377622 580743921 /nfs/dbraw/zinc/74/39/21/580743921.db2.gz OCRJPXXCPUQAQB-CQSZACIVSA-N 1 0 338.448 1.995 20 10 EDCDRO CNC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000793064752 580835078 /nfs/dbraw/zinc/83/50/78/580835078.db2.gz DDNMCFUDZUKHGS-AWEZNQCLSA-N 1 0 345.365 1.718 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](OC)C[C@H]1C)cc2=O ZINC000799344227 581026027 /nfs/dbraw/zinc/02/60/27/581026027.db2.gz TYUJNVZHIIYCKR-DGCLKSJQSA-N 1 0 348.403 1.611 20 10 EDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCC[NH+]2CCCC2)c1 ZINC000800148986 581045162 /nfs/dbraw/zinc/04/51/62/581045162.db2.gz MVTGNCSHTSOZOQ-UHFFFAOYSA-N 1 0 342.417 1.406 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1F ZINC000800309932 581050301 /nfs/dbraw/zinc/05/03/01/581050301.db2.gz QBYKPPWMTYQXCS-UKRRQHHQSA-N 1 0 343.468 1.699 20 10 EDCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000800860652 581060123 /nfs/dbraw/zinc/06/01/23/581060123.db2.gz VQKRYSCQPWJQNO-SJCJKPOMSA-N 1 0 329.400 1.931 20 10 EDCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892100990 590799382 /nfs/dbraw/zinc/79/93/82/590799382.db2.gz KPRRZRIPCOKEPD-LBPRGKRZSA-N 1 0 341.429 1.890 20 10 EDCDRO COc1nn(C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245282 591014724 /nfs/dbraw/zinc/01/47/24/591014724.db2.gz BVZKNXLNKKFBOJ-MRXNPFEDSA-N 1 0 345.447 1.527 20 10 EDCDRO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000891246207 591015851 /nfs/dbraw/zinc/01/58/51/591015851.db2.gz AEFXXQNNJFSFRI-KRWDZBQOSA-N 1 0 327.432 1.884 20 10 EDCDRO CC(=O)OC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248409 591017086 /nfs/dbraw/zinc/01/70/86/591017086.db2.gz LJUSTOJBEFWIGW-INIZCTEOSA-N 1 0 335.448 1.813 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncccc2N)[NH+](C)C)cc1 ZINC000891246909 591017322 /nfs/dbraw/zinc/01/73/22/591017322.db2.gz QUGNFVVGQDKBIB-MRXNPFEDSA-N 1 0 327.432 1.763 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCC(=O)NC2)[NH+](C)C)cc1 ZINC000891250250 591019309 /nfs/dbraw/zinc/01/93/09/591019309.db2.gz VTUGOLPYPZYJMY-WMLDXEAASA-N 1 0 346.475 1.388 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(n3cccn3)CC2)[NH+](C)C)cc1 ZINC000891257503 591022364 /nfs/dbraw/zinc/02/23/64/591022364.db2.gz HRCFJDFTBAJXRJ-QGZVFWFLSA-N 1 0 341.459 1.857 20 10 EDCDRO Cc1nccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891256237 591022585 /nfs/dbraw/zinc/02/25/85/591022585.db2.gz VZCNQFCXGXBNBI-QGZVFWFLSA-N 1 0 327.432 1.884 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(=O)[nH]n2)[NH+](C)C)cc1 ZINC000891257861 591023129 /nfs/dbraw/zinc/02/31/29/591023129.db2.gz LCGKDEDMXCBBBB-HNNXBMFYSA-N 1 0 329.404 1.281 20 10 EDCDRO COc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1OC ZINC000891496181 591095424 /nfs/dbraw/zinc/09/54/24/591095424.db2.gz ZFUYTMYXJFGILK-OAHLLOKOSA-N 1 0 336.432 1.706 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2ccn(C)n2)[NH+](C)C)cc1 ZINC000893928523 591140917 /nfs/dbraw/zinc/14/09/17/591140917.db2.gz LRJQRJFXJQEDJY-KRWDZBQOSA-N 1 0 344.463 1.588 20 10 EDCDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894199671 591224647 /nfs/dbraw/zinc/22/46/47/591224647.db2.gz BXTSDNKVRKMKQE-GJZGRUSLSA-N 1 0 340.370 1.667 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCn2cccn2)[NH+](C)C)cc1 ZINC000893018841 591256429 /nfs/dbraw/zinc/25/64/29/591256429.db2.gz NAOUQVVRKJADOM-QGZVFWFLSA-N 1 0 344.463 1.551 20 10 EDCDRO CCC[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102198 591682907 /nfs/dbraw/zinc/68/29/07/591682907.db2.gz NWLOISIHPUWJJS-SJORKVTESA-N 1 0 336.480 1.816 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)C2CCC2)[NH+](C)C)cc1 ZINC000899098500 591688266 /nfs/dbraw/zinc/68/82/66/591688266.db2.gz OZYDTDIQRPBPBH-QZTJIDSGSA-N 1 0 348.491 1.816 20 10 EDCDRO C[C@@H]1C[C@H](O)CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899099314 591688945 /nfs/dbraw/zinc/68/89/45/591688945.db2.gz YUOSPTYSVNJDNL-JLSDUUJJSA-N 1 0 348.491 1.768 20 10 EDCDRO Cn1cncc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727466918 591724175 /nfs/dbraw/zinc/72/41/75/591724175.db2.gz LAXMFPZYRCKXTP-OAHLLOKOSA-N 1 0 327.432 1.412 20 10 EDCDRO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1 ZINC000895577125 591806371 /nfs/dbraw/zinc/80/63/71/591806371.db2.gz XLOPERCDPFWOGX-KDURUIRLSA-N 1 0 342.487 1.349 20 10 EDCDRO COC[C@@H](C)NC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899723598 591920648 /nfs/dbraw/zinc/92/06/48/591920648.db2.gz BOJTZKHCDOZHBW-CJNGLKHVSA-N 1 0 338.521 1.854 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)[C@@H]3CCCN3C2=O)[NH+](C)C)cc1 ZINC000900186047 591933142 /nfs/dbraw/zinc/93/31/42/591933142.db2.gz VHXJSZSBSRKQMQ-JKSUJKDBSA-N 1 0 330.432 1.782 20 10 EDCDRO CC(C)[NH2+]Cc1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000905790102 592641711 /nfs/dbraw/zinc/64/17/11/592641711.db2.gz YUZGZCCCKCERAS-UHFFFAOYSA-N 1 0 330.436 1.159 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)CC3(O)CCOCC3)CC2)cc1 ZINC000906511395 592837633 /nfs/dbraw/zinc/83/76/33/592837633.db2.gz JHHZEUAXPCDHNE-UHFFFAOYSA-N 1 0 348.443 1.712 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(CO)C2)c1O ZINC000839160998 593273869 /nfs/dbraw/zinc/27/38/69/593273869.db2.gz YJZFTMYVASNCAH-AWEZNQCLSA-N 1 0 346.221 1.483 20 10 EDCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000803204854 593309047 /nfs/dbraw/zinc/30/90/47/593309047.db2.gz YMZDNKAJHVEKQQ-KGLIPLIRSA-N 1 0 334.464 1.386 20 10 EDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804215782 593397983 /nfs/dbraw/zinc/39/79/83/593397983.db2.gz FRQGMVNUJCHUTJ-OAHLLOKOSA-N 1 0 348.491 1.524 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000817918858 593648536 /nfs/dbraw/zinc/64/85/36/593648536.db2.gz ODVGTDMMVUQJHT-UHFFFAOYSA-N 1 0 332.448 1.051 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000817930908 593649737 /nfs/dbraw/zinc/64/97/37/593649737.db2.gz PLODYJIBDHLSRK-OAHLLOKOSA-N 1 0 332.448 1.049 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000817991502 593654126 /nfs/dbraw/zinc/65/41/26/593654126.db2.gz XLKHZJOCLUFWOD-UHFFFAOYSA-N 1 0 346.475 1.313 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000817993010 593654617 /nfs/dbraw/zinc/65/46/17/593654617.db2.gz WCUNXROTBLHKJA-QGZVFWFLSA-N 1 0 346.475 1.441 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000819164843 593742184 /nfs/dbraw/zinc/74/21/84/593742184.db2.gz MXDLGRGKHPLFLO-CABCVRRESA-N 1 0 329.400 1.783 20 10 EDCDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H](O)C1 ZINC000821064744 593957442 /nfs/dbraw/zinc/95/74/42/593957442.db2.gz GRMCBVOEVBDHRY-TUKIKUTGSA-N 1 0 338.835 1.897 20 10 EDCDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000821332754 594020139 /nfs/dbraw/zinc/02/01/39/594020139.db2.gz VBAAUAIFKMIFQI-LJQANCHMSA-N 1 0 346.519 1.983 20 10 EDCDRO OCCCN1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824584280 594042505 /nfs/dbraw/zinc/04/25/05/594042505.db2.gz ZZHSZZSOLRRKAN-SFHVURJKSA-N 1 0 333.476 1.460 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000823247773 594175400 /nfs/dbraw/zinc/17/54/00/594175400.db2.gz KCHOABHKBGOZNJ-WBVHZDCISA-N 1 0 346.475 1.915 20 10 EDCDRO C[C@H]1CN(c2ccc(CNC(=O)COCC[NH3+])cc2F)C[C@H](C)O1 ZINC000827366105 594665125 /nfs/dbraw/zinc/66/51/25/594665125.db2.gz ZYSLDPHPUVKBBE-STQMWFEESA-N 1 0 339.411 1.031 20 10 EDCDRO C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293600 594740742 /nfs/dbraw/zinc/74/07/42/594740742.db2.gz YLTOIKFFOYQINK-IUODEOHRSA-N 1 0 334.464 1.419 20 10 EDCDRO CN(C)c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1C ZINC000840884662 594823647 /nfs/dbraw/zinc/82/36/47/594823647.db2.gz PCYBGLFOSACEHX-UHFFFAOYSA-N 1 0 329.448 1.613 20 10 EDCDRO COC(=O)[C@H](CC1CC1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840957692 594832884 /nfs/dbraw/zinc/83/28/84/594832884.db2.gz MEUZKWQDCQDJSS-SFHVURJKSA-N 1 0 331.460 1.870 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000841654828 594931267 /nfs/dbraw/zinc/93/12/67/594931267.db2.gz PXOAAQBONFXCHV-MSOLQXFVSA-N 1 0 346.475 1.790 20 10 EDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742284 594946172 /nfs/dbraw/zinc/94/61/72/594946172.db2.gz VLGBSSPDQYBKJP-QAPCUYQASA-N 1 0 346.475 1.978 20 10 EDCDRO FC(F)CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000841894092 594975516 /nfs/dbraw/zinc/97/55/16/594975516.db2.gz NDSBWUHPCXGSLB-HNNXBMFYSA-N 1 0 325.403 1.952 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)NC[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000842011276 595001760 /nfs/dbraw/zinc/00/17/60/595001760.db2.gz OCDXSUJIZGWJAO-KRWDZBQOSA-N 1 0 332.448 1.415 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842203001 595036932 /nfs/dbraw/zinc/03/69/32/595036932.db2.gz NWMKLELVCMXNSR-UKRRQHHQSA-N 1 0 332.448 1.188 20 10 EDCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000842203704 595037438 /nfs/dbraw/zinc/03/74/38/595037438.db2.gz WHUODVAMRIFJEA-ZFWWWQNUSA-N 1 0 332.448 1.188 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000842207591 595039605 /nfs/dbraw/zinc/03/96/05/595039605.db2.gz NYHQAXIVYCTXOT-UHFFFAOYSA-N 1 0 346.475 1.346 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000842209019 595040022 /nfs/dbraw/zinc/04/00/22/595040022.db2.gz ZXOOVTIKXNMYNN-UHFFFAOYSA-N 1 0 346.475 1.535 20 10 EDCDRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215849 595041785 /nfs/dbraw/zinc/04/17/85/595041785.db2.gz XJCHWPMURDGMPG-QGZVFWFLSA-N 1 0 344.459 1.243 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCC[NH2+]C)cc1 ZINC000842224968 595044488 /nfs/dbraw/zinc/04/44/88/595044488.db2.gz RSOCTHVXAMQDBM-UHFFFAOYSA-N 1 0 334.464 1.217 20 10 EDCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842250043 595055466 /nfs/dbraw/zinc/05/54/66/595055466.db2.gz RSZQJEVNAIQIME-OAHLLOKOSA-N 1 0 334.464 1.201 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000843261266 595056590 /nfs/dbraw/zinc/05/65/90/595056590.db2.gz JTKVKIKQPATMBZ-ILXRZTDVSA-N 1 0 348.491 1.350 20 10 EDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000842267928 595061037 /nfs/dbraw/zinc/06/10/37/595061037.db2.gz ZTUPCLJKDISJQC-MRXNPFEDSA-N 1 0 348.491 1.735 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000842273026 595062991 /nfs/dbraw/zinc/06/29/91/595062991.db2.gz SVNUVCVVYVBTDL-UHFFFAOYSA-N 1 0 345.443 1.557 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)c3c[nH+]ccc3N)C2)cc1 ZINC000843507661 595135780 /nfs/dbraw/zinc/13/57/80/595135780.db2.gz QNXPGVVOHSIDSE-CYBMUJFWSA-N 1 0 326.400 1.759 20 10 EDCDRO CCOCCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000102863467 595151407 /nfs/dbraw/zinc/15/14/07/595151407.db2.gz DHBQNDINDJEAGX-UHFFFAOYSA-N 1 0 349.475 1.750 20 10 EDCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)CC2 ZINC000846153812 595159523 /nfs/dbraw/zinc/15/95/23/595159523.db2.gz KYPZBIFFMGCKOM-NEPJUHHUSA-N 1 0 332.404 1.804 20 10 EDCDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)n(C)n1 ZINC000834673082 595187938 /nfs/dbraw/zinc/18/79/38/595187938.db2.gz MPPMJQKUFPRAHK-ZIAGYGMSSA-N 1 0 326.400 1.817 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CC2CCCC2)cc1 ZINC000842784173 595197298 /nfs/dbraw/zinc/19/72/98/595197298.db2.gz HCEDDZVEKDKTAN-MRXNPFEDSA-N 1 0 325.478 1.862 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC2CCOCC2)cc1 ZINC000842786303 595198322 /nfs/dbraw/zinc/19/83/22/595198322.db2.gz VXPXYQCPIJPKQK-INIZCTEOSA-N 1 0 341.477 1.098 20 10 EDCDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000834889266 595237335 /nfs/dbraw/zinc/23/73/35/595237335.db2.gz HDKGVVUSVXASGW-HIFRSBDPSA-N 1 0 335.423 1.934 20 10 EDCDRO [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843121084 595292082 /nfs/dbraw/zinc/29/20/82/595292082.db2.gz FEZLSIHVLKPBOJ-ZDUSSCGKSA-N 1 0 340.265 1.634 20 10 EDCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Br)ccc1O ZINC000843123531 595292498 /nfs/dbraw/zinc/29/24/98/595292498.db2.gz LSZNVDJJSQBGEJ-GFCCVEGCSA-N 1 0 343.221 1.492 20 10 EDCDRO C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000844218424 595305158 /nfs/dbraw/zinc/30/51/58/595305158.db2.gz ACGZQSHLYZYHGA-QAPCUYQASA-N 1 0 332.492 1.770 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@@H](C[NH3+])C[C@@H]3C)CC2)cc1 ZINC000844221760 595306605 /nfs/dbraw/zinc/30/66/05/595306605.db2.gz VIFMGSRJJRFOCZ-JKSUJKDBSA-N 1 0 346.475 1.013 20 10 EDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000106505910 595311716 /nfs/dbraw/zinc/31/17/16/595311716.db2.gz DHMIWWBTAIXFNV-OAHLLOKOSA-N 1 0 333.480 1.188 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848430246 595378035 /nfs/dbraw/zinc/37/80/35/595378035.db2.gz ABZSJNULVMZSHV-HKUYNNGSSA-N 1 0 331.460 1.980 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000848599400 595414849 /nfs/dbraw/zinc/41/48/49/595414849.db2.gz ZJTVDPZFAZBFBS-CYBMUJFWSA-N 1 0 348.369 1.662 20 10 EDCDRO C[C@@H]1CN(C(=[NH2+])NCc2cc(Br)ccc2O)CCO1 ZINC000849051769 595475783 /nfs/dbraw/zinc/47/57/83/595475783.db2.gz HXDYMHQHEXEMMP-SECBINFHSA-N 1 0 328.210 1.900 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000852792778 595545640 /nfs/dbraw/zinc/54/56/40/595545640.db2.gz CLZCIOCRTLZIBL-BHYGNILZSA-N 1 0 344.459 1.132 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000852869011 595588563 /nfs/dbraw/zinc/58/85/63/595588563.db2.gz SSWCPPPRHURGDE-ICSRJNTNSA-N 1 0 343.471 1.654 20 10 EDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000115825995 595692333 /nfs/dbraw/zinc/69/23/33/595692333.db2.gz XSWMNLVICLIXCO-GOSISDBHSA-N 1 0 348.491 1.971 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1OC ZINC000853593479 595820529 /nfs/dbraw/zinc/82/05/29/595820529.db2.gz BPTUZBWRGVZFBE-ZDUSSCGKSA-N 1 0 334.416 1.854 20 10 EDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858569836 595831704 /nfs/dbraw/zinc/83/17/04/595831704.db2.gz OCUXHAZBAGTQLL-CYBMUJFWSA-N 1 0 340.493 1.284 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)C[NH2+]C[C@@H]3CCCO3)C2)cc1 ZINC000851639520 595864316 /nfs/dbraw/zinc/86/43/16/595864316.db2.gz HBFUKKYMUIDXDS-PBHICJAKSA-N 1 0 333.432 1.159 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3CC[NH2+]CC3)C2)cc1 ZINC000851662503 595873509 /nfs/dbraw/zinc/87/35/09/595873509.db2.gz YVCMKARARGXZFG-HNNXBMFYSA-N 1 0 332.448 1.573 20 10 EDCDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851667127 595876756 /nfs/dbraw/zinc/87/67/56/595876756.db2.gz NCMMOBKHWVSFAY-HZPDHXFCSA-N 1 0 346.475 1.574 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851690499 595886915 /nfs/dbraw/zinc/88/69/15/595886915.db2.gz DKESTZQCDPGZML-UHFFFAOYSA-N 1 0 345.443 1.389 20 10 EDCDRO COc1ccc(N2CC[NH+](CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000851714748 595894307 /nfs/dbraw/zinc/89/43/07/595894307.db2.gz VLXZEWDJIACVTP-IAGOWNOFSA-N 1 0 333.476 1.926 20 10 EDCDRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000859230355 596011371 /nfs/dbraw/zinc/01/13/71/596011371.db2.gz VEAFOFDRBKJDHP-QAPCUYQASA-N 1 0 334.460 1.840 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000861648648 596057204 /nfs/dbraw/zinc/05/72/04/596057204.db2.gz ZJEHHYGGPOLLQZ-GRDNDAEWSA-N 1 0 332.448 1.571 20 10 EDCDRO CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(C)cc1O ZINC000866553811 596248270 /nfs/dbraw/zinc/24/82/70/596248270.db2.gz OAMRKPQUUOKMFH-YJBOKZPZSA-N 1 0 334.416 1.369 20 10 EDCDRO CN(Cc1ncc[nH]1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000868129507 596695903 /nfs/dbraw/zinc/69/59/03/596695903.db2.gz DQWXOCFAXXIVHY-UHFFFAOYSA-N 1 0 329.404 1.588 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873061085 597176612 /nfs/dbraw/zinc/17/66/12/597176612.db2.gz PWLYNBZPHFOLDR-QGZVFWFLSA-N 1 0 341.415 1.497 20 10 EDCDRO CC(C)C[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507041 597224361 /nfs/dbraw/zinc/22/43/61/597224361.db2.gz ULLKJSDDAHMBBC-APWZRJJASA-N 1 0 346.475 1.421 20 10 EDCDRO CC(C)[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)[NH+]1CCN(C)CC1 ZINC000875048592 597259965 /nfs/dbraw/zinc/25/99/65/597259965.db2.gz UWZUUGGSTORIFN-QGZVFWFLSA-N 1 0 346.475 1.689 20 10 EDCDRO COc1ccc(N2CCN(C(=O)/C=C\[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000876708524 597297191 /nfs/dbraw/zinc/29/71/91/597297191.db2.gz SHTXRSXLARDHGN-SGNXQUTQSA-N 1 0 329.444 1.900 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876873804 597364475 /nfs/dbraw/zinc/36/44/75/597364475.db2.gz QMZGWUAXUDJPPL-SFHVURJKSA-N 1 0 335.448 1.106 20 10 EDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)N1CCOCC1 ZINC000877025381 597415292 /nfs/dbraw/zinc/41/52/92/597415292.db2.gz JKSFWYMGCMDUPN-IAGOWNOFSA-N 1 0 347.503 1.847 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877031953 597417603 /nfs/dbraw/zinc/41/76/03/597417603.db2.gz XVAWRYDZNDYXEH-UHFFFAOYSA-N 1 0 333.457 1.998 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227023 597466610 /nfs/dbraw/zinc/46/66/10/597466610.db2.gz APICEMSENVUKLH-CVEARBPZSA-N 1 0 347.459 1.741 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)c(OC)c1 ZINC000877227055 597467393 /nfs/dbraw/zinc/46/73/93/597467393.db2.gz BJLOUABJCPJLOX-KRWDZBQOSA-N 1 0 337.395 1.054 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)c(OC)c1 ZINC000877227276 597467717 /nfs/dbraw/zinc/46/77/17/597467717.db2.gz HKTBQLVJEKCVKZ-GOSISDBHSA-N 1 0 333.432 1.352 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCn4ccnc4C3)cc2)CC1 ZINC000877429562 597514192 /nfs/dbraw/zinc/51/41/92/597514192.db2.gz KKRBTOZDIJOSSC-MRXNPFEDSA-N 1 0 326.444 1.949 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)NC4(CCCC4)C3=O)cc2)CC1 ZINC000877873381 597561459 /nfs/dbraw/zinc/56/14/59/597561459.db2.gz NQIHGIDYCVWTMD-UHFFFAOYSA-N 1 0 342.443 1.803 20 10 EDCDRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccccc1O ZINC000879649622 597674110 /nfs/dbraw/zinc/67/41/10/597674110.db2.gz ZFIZGCLAFUGUAJ-SECBINFHSA-N 1 0 333.310 1.821 20 10 EDCDRO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000879652734 597674604 /nfs/dbraw/zinc/67/46/04/597674604.db2.gz HPUHUUNIGKIYKA-ZDUSSCGKSA-N 1 0 335.404 1.344 20 10 EDCDRO COc1ncncc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283651 597699676 /nfs/dbraw/zinc/69/96/76/597699676.db2.gz NDSNFIRPJGDELG-UHFFFAOYSA-N 1 0 327.432 1.527 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)c(O)c1C ZINC000883334983 597718977 /nfs/dbraw/zinc/71/89/77/597718977.db2.gz KYJLWMQXJYOJNC-GFCCVEGCSA-N 1 0 327.388 1.601 20 10 EDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)CCOCCO)c1O ZINC000883352237 597723094 /nfs/dbraw/zinc/72/30/94/597723094.db2.gz XHAWDZJKQWWERZ-CYBMUJFWSA-N 1 0 330.856 1.945 20 10 EDCDRO CC[C@@H](CCO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883445634 597749795 /nfs/dbraw/zinc/74/97/95/597749795.db2.gz HABAHHVHIMKAGX-INIZCTEOSA-N 1 0 334.464 1.399 20 10 EDCDRO COC(=O)C[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852871 597755175 /nfs/dbraw/zinc/75/51/75/597755175.db2.gz DMCYKJRBWJRTHN-HNNXBMFYSA-N 1 0 347.459 1.644 20 10 EDCDRO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)O1 ZINC000881854393 597756583 /nfs/dbraw/zinc/75/65/83/597756583.db2.gz DLJUSGCIHVXWKA-IIDMSEBBSA-N 1 0 331.460 1.868 20 10 EDCDRO CS[C@@H](C)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883547025 597797864 /nfs/dbraw/zinc/79/78/64/597797864.db2.gz XUIMQZKUEPUCGP-AWEZNQCLSA-N 1 0 336.505 1.989 20 10 EDCDRO CCOC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883632607 597838663 /nfs/dbraw/zinc/83/86/63/597838663.db2.gz XFKHUMSGSIAGRQ-HNNXBMFYSA-N 1 0 334.464 1.663 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NOC/C=C\Cl)cc2)CC1 ZINC000883703525 597868506 /nfs/dbraw/zinc/86/85/06/597868506.db2.gz OPYVWYKOFPMGAY-UQCOIBPSSA-N 1 0 338.839 1.922 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)cc2)CC1 ZINC000883762157 597891978 /nfs/dbraw/zinc/89/19/78/597891978.db2.gz PNQWNQUTOJVMQM-KURKYZTESA-N 1 0 344.459 1.558 20 10 EDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000883898548 597936717 /nfs/dbraw/zinc/93/67/17/597936717.db2.gz BKDWDXMYAFENID-MRXNPFEDSA-N 1 0 334.464 1.867 20 10 EDCDRO CN(C)c1ccc(Cn2cc(CCN3CCC([NH3+])CC3)nn2)cc1 ZINC000881272162 598114721 /nfs/dbraw/zinc/11/47/21/598114721.db2.gz OUYPPYSJFSXJDK-UHFFFAOYSA-N 1 0 328.464 1.358 20 10 EDCDRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(N(C)C)cc3)nn2)n1 ZINC000881272537 598114753 /nfs/dbraw/zinc/11/47/53/598114753.db2.gz ZEMMTHIOOUAXQB-UHFFFAOYSA-N 1 0 339.447 1.747 20 10 EDCDRO Cc1onc(CO)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918844819 697215537 /nfs/dbraw/zinc/21/55/37/697215537.db2.gz HVAYHBHYPNZZBH-UHFFFAOYSA-N 1 0 344.415 1.157 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCN(c3cc(OC)ncn3)CC2)c1 ZINC000184437314 703212609 /nfs/dbraw/zinc/21/26/09/703212609.db2.gz JQFATUJCQRVXBT-UHFFFAOYSA-N 1 0 330.388 1.522 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000285521355 249633878 /nfs/dbraw/zinc/63/38/78/249633878.db2.gz ADKOGVSGKPBRFM-AWEZNQCLSA-N 1 0 335.448 1.587 20 10 EDCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C[C@H]1C ZINC000372445219 250218743 /nfs/dbraw/zinc/21/87/43/250218743.db2.gz FEYOEZXYVBRLPP-CABCVRRESA-N 1 0 346.475 1.275 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)c1 ZINC000372486291 250221705 /nfs/dbraw/zinc/22/17/05/250221705.db2.gz VTJOBBVUQJYIOE-UHFFFAOYSA-N 1 0 332.400 1.904 20 10 EDCDRO Oc1c(F)cccc1CN1CCc2ncnc(N3CCOCC3)c2C1 ZINC000373121304 250233247 /nfs/dbraw/zinc/23/32/47/250233247.db2.gz BMGPLVQCTIDHRJ-UHFFFAOYSA-N 1 0 344.390 1.716 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1F ZINC000374316605 250259495 /nfs/dbraw/zinc/25/94/95/250259495.db2.gz INAWNLDAJKPKBZ-INIZCTEOSA-N 1 0 349.450 1.963 20 10 EDCDRO COc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000092044945 533484416 /nfs/dbraw/zinc/48/44/16/533484416.db2.gz FASLZTCJDLMZBB-CQSZACIVSA-N 1 0 340.445 1.401 20 10 EDCDRO COc1ccc(N2CCC([N@H+](C)CC(=O)N3CCOCC3)CC2)cc1 ZINC000072801301 441261206 /nfs/dbraw/zinc/26/12/06/441261206.db2.gz FZVBHVFDIAWCRA-UHFFFAOYSA-N 1 0 347.459 1.455 20 10 EDCDRO Nc1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000029548436 441463785 /nfs/dbraw/zinc/46/37/85/441463785.db2.gz ILTAXXSQZASXBD-UHFFFAOYSA-N 1 0 325.416 1.815 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000115636854 441767212 /nfs/dbraw/zinc/76/72/12/441767212.db2.gz XGUUNYIVWKPGGF-UHFFFAOYSA-N 1 0 348.491 1.741 20 10 EDCDRO C[C@@](C[NH3+])(NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000154956585 442366800 /nfs/dbraw/zinc/36/68/00/442366800.db2.gz XKQVOSFDKPUJGT-QFXLTXBMSA-N 1 0 329.444 1.780 20 10 EDCDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(O)c1O ZINC000189911245 443027743 /nfs/dbraw/zinc/02/77/43/443027743.db2.gz IZSWWIPDZRJOLX-HUUCEWRRSA-N 1 0 334.416 1.596 20 10 EDCDRO CC(C)COC[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000184829345 443083416 /nfs/dbraw/zinc/08/34/16/443083416.db2.gz PTZKSGZPYHETBX-LJQANCHMSA-N 1 0 336.476 1.989 20 10 EDCDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]12 ZINC000185140811 443146044 /nfs/dbraw/zinc/14/60/44/443146044.db2.gz PLOPMPNXOXYWJD-LQCUAOBDSA-N 1 0 341.455 1.732 20 10 EDCDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000264215683 443255787 /nfs/dbraw/zinc/25/57/87/443255787.db2.gz NUGRUUICXJDGSX-UHFFFAOYSA-N 1 0 349.431 1.107 20 10 EDCDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000269260761 443256037 /nfs/dbraw/zinc/25/60/37/443256037.db2.gz VWYVHMPAJBIVCV-IAGOWNOFSA-N 1 0 331.460 1.639 20 10 EDCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000269277794 443263299 /nfs/dbraw/zinc/26/32/99/443263299.db2.gz YEQGFZNLXZMSPP-QWHCGFSZSA-N 1 0 339.386 1.983 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1F ZINC000269482115 443321332 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/nfs/dbraw/zinc/73/99/81/594739981.db2.gz ORHRDFPELLGNSG-MRXNPFEDSA-N 1 0 338.415 1.534 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCc3cnn(C)c3C2)cc1 ZINC000832284367 594740218 /nfs/dbraw/zinc/74/02/18/594740218.db2.gz JSGWZHBZVRAZTN-PBHICJAKSA-N 1 0 341.459 1.407 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000832293585 594740804 /nfs/dbraw/zinc/74/08/04/594740804.db2.gz YEGDNYHDACVVIF-CRAIPNDOSA-N 1 0 341.411 1.709 20 10 EDCDRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(N2CCCCC2)cc1 ZINC000840807579 594817186 /nfs/dbraw/zinc/81/71/86/594817186.db2.gz SHIFQZMGIMZRNJ-MAUKXSAKSA-N 1 0 329.448 1.980 20 10 EDCDRO CC(=O)N1CCN(CC[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840876929 594823287 /nfs/dbraw/zinc/82/32/87/594823287.db2.gz UERNIPFCHDUXRU-UHFFFAOYSA-N 1 0 325.840 1.608 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC000840974604 594834480 /nfs/dbraw/zinc/83/44/80/594834480.db2.gz COSKFJJOVFFTRH-DGCLKSJQSA-N 1 0 330.222 1.638 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1F ZINC000841335112 594886379 /nfs/dbraw/zinc/88/63/79/594886379.db2.gz MRBDMSQIQVNYMC-LBPRGKRZSA-N 1 0 336.333 1.971 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000841792965 594953978 /nfs/dbraw/zinc/95/39/78/594953978.db2.gz HRFXYTFJMIPQGY-UHFFFAOYSA-N 1 0 334.464 1.386 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000841921110 594981850 /nfs/dbraw/zinc/98/18/50/594981850.db2.gz PBDHALWLHWUCOM-UHFFFAOYSA-N 1 0 333.480 1.189 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000841922134 594982296 /nfs/dbraw/zinc/98/22/96/594982296.db2.gz XOCYOYIQJSVQSM-UHFFFAOYSA-N 1 0 347.507 1.578 20 10 EDCDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841987123 594995993 /nfs/dbraw/zinc/99/59/93/594995993.db2.gz GGGRBHDOJPRLFK-QAPCUYQASA-N 1 0 346.475 1.663 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000842152057 595023963 /nfs/dbraw/zinc/02/39/63/595023963.db2.gz DVYRACYAHADMOM-WMLDXEAASA-N 1 0 346.475 1.311 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000842153776 595024828 /nfs/dbraw/zinc/02/48/28/595024828.db2.gz PYIRQAWVIWAMFS-OAHLLOKOSA-N 1 0 346.475 1.265 20 10 EDCDRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC[C@H]1[NH3+] ZINC000842154791 595025147 /nfs/dbraw/zinc/02/51/47/595025147.db2.gz WXXLZRCIAWCCST-WMLDXEAASA-N 1 0 346.475 1.263 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000842203702 595037698 /nfs/dbraw/zinc/03/76/98/595037698.db2.gz WHUODVAMRIFJEA-HIFRSBDPSA-N 1 0 332.448 1.188 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000842207594 595039579 /nfs/dbraw/zinc/03/95/79/595039579.db2.gz OAEMGUXCVXAOTA-KRWDZBQOSA-N 1 0 346.475 1.489 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000842225283 595044161 /nfs/dbraw/zinc/04/41/61/595044161.db2.gz HUMDDWQDJRDEMO-MRXNPFEDSA-N 1 0 344.459 1.113 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000842230391 595045992 /nfs/dbraw/zinc/04/59/92/595045992.db2.gz VQLUHHONJMFQFM-HUUCEWRRSA-N 1 0 332.448 1.097 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000846147111 595156649 /nfs/dbraw/zinc/15/66/49/595156649.db2.gz TUINKLRVJNANAX-GOEBONIOSA-N 1 0 349.475 1.994 20 10 EDCDRO COc1ccccc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784879 595197600 /nfs/dbraw/zinc/19/76/00/595197600.db2.gz BTMGJTOYVSLPIX-HNNXBMFYSA-N 1 0 349.456 1.740 20 10 EDCDRO Cc1ncc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000842785466 595198068 /nfs/dbraw/zinc/19/80/68/595198068.db2.gz RTHCPYMGUMLWTF-CYBMUJFWSA-N 1 0 340.474 1.496 20 10 EDCDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834909503 595237935 /nfs/dbraw/zinc/23/79/35/595237935.db2.gz SAWDCSXZPSOBSU-UGSOOPFHSA-N 1 0 335.423 1.982 20 10 EDCDRO Cc1cc(C)n([C@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000844163294 595288115 /nfs/dbraw/zinc/28/81/15/595288115.db2.gz XQSCEFNSLCBLQU-PBHICJAKSA-N 1 0 329.448 1.943 20 10 EDCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1O ZINC000848553452 595405162 /nfs/dbraw/zinc/40/51/62/595405162.db2.gz SVHGCFGBLCPKIZ-RKDXNWHRSA-N 1 0 343.221 1.950 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000848882101 595462518 /nfs/dbraw/zinc/46/25/18/595462518.db2.gz XBQQYYVNKCHGFL-HNNXBMFYSA-N 1 0 326.462 1.858 20 10 EDCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1O ZINC000848910414 595466364 /nfs/dbraw/zinc/46/63/64/595466364.db2.gz IMPNFBLEGZGGIV-OAHLLOKOSA-N 1 0 341.477 1.315 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)c1 ZINC000852802141 595549791 /nfs/dbraw/zinc/54/97/91/595549791.db2.gz KTHGXWACPUDGME-MNOVXSKESA-N 1 0 330.388 1.692 20 10 EDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC2(CCC2)C1 ZINC000852916487 595613263 /nfs/dbraw/zinc/61/32/63/595613263.db2.gz KIWDAAUVOKUGPN-UHFFFAOYSA-N 1 0 343.471 1.926 20 10 EDCDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)n1C ZINC000850134725 595750048 /nfs/dbraw/zinc/75/00/48/595750048.db2.gz DFJGMFGZULSUTN-UHFFFAOYSA-N 1 0 348.472 1.253 20 10 EDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858569837 595831575 /nfs/dbraw/zinc/83/15/75/595831575.db2.gz OCUXHAZBAGTQLL-ZDUSSCGKSA-N 1 0 340.493 1.284 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000851665774 595875413 /nfs/dbraw/zinc/87/54/13/595875413.db2.gz CSOIGYVGKYCJOT-TZGCNFNXSA-N 1 0 344.459 1.654 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677739 595880976 /nfs/dbraw/zinc/88/09/76/595880976.db2.gz USUFPBRRCWWGJC-UHFFFAOYSA-N 1 0 344.459 1.417 20 10 EDCDRO [NH3+]C1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCOCC1 ZINC000861669296 596061255 /nfs/dbraw/zinc/06/12/55/596061255.db2.gz OBRICIBSMVWQNH-UHFFFAOYSA-N 1 0 333.432 1.578 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)c2cnn(CC[NH+](C)C)c2)cc1 ZINC000864633465 596291528 /nfs/dbraw/zinc/29/15/28/596291528.db2.gz HIYKYWSBWMNXBR-UHFFFAOYSA-N 1 0 329.448 1.783 20 10 EDCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000862475720 596334913 /nfs/dbraw/zinc/33/49/13/596334913.db2.gz VEHSXXODQXBKNT-OAHLLOKOSA-N 1 0 329.780 1.818 20 10 EDCDRO COC(=O)c1cnc(SCC(=O)NC2CC[NH+](C)CC2)s1 ZINC000865369225 596553929 /nfs/dbraw/zinc/55/39/29/596553929.db2.gz NOHIINHOHOOCDE-UHFFFAOYSA-N 1 0 329.447 1.232 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865686434 596650639 /nfs/dbraw/zinc/65/06/39/596650639.db2.gz NKDDTIGXKRNBEQ-GJZGRUSLSA-N 1 0 347.459 1.833 20 10 EDCDRO CCN1C(=O)CN(CN2CCCN(c3ccc(OC)cc3)CC2)C1=O ZINC000122143656 596822932 /nfs/dbraw/zinc/82/29/32/596822932.db2.gz BTIKMJVEXXNNCT-UHFFFAOYSA-N 1 0 346.431 1.449 20 10 EDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873038184 597167168 /nfs/dbraw/zinc/16/71/68/597167168.db2.gz LWVOASAAGUCKPV-UHFFFAOYSA-N 1 0 337.445 1.464 20 10 EDCDRO COc1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc1Cn1cccn1 ZINC000873050022 597171593 /nfs/dbraw/zinc/17/15/93/597171593.db2.gz PQFJYRCBGQJBMC-CYBMUJFWSA-N 1 0 337.445 1.463 20 10 EDCDRO COc1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1Cn1cccn1 ZINC000873102435 597195621 /nfs/dbraw/zinc/19/56/21/597195621.db2.gz PIPKTJXAXVDYKM-SFHVURJKSA-N 1 0 345.443 1.817 20 10 EDCDRO COc1ccc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1Cn1cccn1 ZINC000873130482 597206886 /nfs/dbraw/zinc/20/68/86/597206886.db2.gz FBQWFCWPPSBPGM-UHFFFAOYSA-N 1 0 328.416 1.650 20 10 EDCDRO COc1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1Cn1cccn1 ZINC000873132899 597207304 /nfs/dbraw/zinc/20/73/04/597207304.db2.gz KAXSHGMHQWXANL-IBGZPJMESA-N 1 0 345.443 1.961 20 10 EDCDRO COc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1Cn1cccn1 ZINC000873132520 597207373 /nfs/dbraw/zinc/20/73/73/597207373.db2.gz WOLHOHZLFXMLOU-AEFFLSMTSA-N 1 0 345.443 1.817 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1Cn1cccn1 ZINC000873142053 597208961 /nfs/dbraw/zinc/20/89/61/597208961.db2.gz PGGZGRBQXUBSTP-SJLPKXTDSA-N 1 0 331.416 1.570 20 10 EDCDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCc1ccc(N)cc1 ZINC000876527621 597230845 /nfs/dbraw/zinc/23/08/45/597230845.db2.gz CINXARGNAHXXPI-INIZCTEOSA-N 1 0 327.432 1.671 20 10 EDCDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876776110 597335814 /nfs/dbraw/zinc/33/58/14/597335814.db2.gz GEWXLLRWZUPFNS-GOSISDBHSA-N 1 0 347.503 1.536 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@]3(C)C[C@H](OC)C[NH2+]3)C2)cc1 ZINC000876930877 597388809 /nfs/dbraw/zinc/38/88/09/597388809.db2.gz FUEILBWRFAOIGY-LJHODMEESA-N 1 0 347.459 1.405 20 10 EDCDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877071989 597426094 /nfs/dbraw/zinc/42/60/94/597426094.db2.gz FHHDIQCUZFNAPF-SFHVURJKSA-N 1 0 330.432 1.204 20 10 EDCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000877138645 597441031 /nfs/dbraw/zinc/44/10/31/597441031.db2.gz AAOHBHYNFHIDJA-HOCLYGCPSA-N 1 0 325.430 1.527 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)c(OC)c1 ZINC000877227686 597467702 /nfs/dbraw/zinc/46/77/02/597467702.db2.gz MFAUSFGEDXLKLM-HIFRSBDPSA-N 1 0 333.432 1.350 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+]CCN3CCCOCC3)cc2)CC1 ZINC000877528322 597531279 /nfs/dbraw/zinc/53/12/79/597531279.db2.gz XJRBAVBHWUDEII-UHFFFAOYSA-N 1 0 333.476 1.460 20 10 EDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000877633782 597543153 /nfs/dbraw/zinc/54/31/53/597543153.db2.gz GWOUVUUXVIWXMM-FZNQNYSPSA-N 1 0 329.400 1.981 20 10 EDCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nnnn3C)CC2)c1O ZINC000877780781 597555741 /nfs/dbraw/zinc/55/57/41/597555741.db2.gz CTRDPEKDHMJQNF-UHFFFAOYSA-N 1 0 337.811 1.957 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)[C@H]4CCCCN4C3=O)cc2)CC1 ZINC000877873777 597561461 /nfs/dbraw/zinc/56/14/61/597561461.db2.gz CDUTXFMJDCXTBX-QGZVFWFLSA-N 1 0 342.443 1.755 20 10 EDCDRO C[C@@H]([NH2+]CCN(C)CCOCCO)c1cc2c(cc1O)CCCC2 ZINC000883350972 597722667 /nfs/dbraw/zinc/72/26/67/597722667.db2.gz USMQPZJFLCFTNF-OAHLLOKOSA-N 1 0 336.476 1.862 20 10 EDCDRO COC(=O)C[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850673 597753821 /nfs/dbraw/zinc/75/38/21/597753821.db2.gz BIKMOOGWPWHQBY-CQSZACIVSA-N 1 0 333.432 1.254 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccon3)cc2)CC1 ZINC000881853532 597755719 /nfs/dbraw/zinc/75/57/19/597755719.db2.gz ZCFHORONDLZJKX-UHFFFAOYSA-N 1 0 328.416 1.675 20 10 EDCDRO CC[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879462278 597923823 /nfs/dbraw/zinc/92/38/23/597923823.db2.gz MYASEQSYQIVUSR-OAHLLOKOSA-N 1 0 337.464 1.138 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1 ZINC000915229911 695768315 /nfs/dbraw/zinc/76/83/15/695768315.db2.gz ZUXZBXAZMNWKJQ-UHFFFAOYSA-N 1 0 327.494 1.904 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)cc1 ZINC000324402968 695904509 /nfs/dbraw/zinc/90/45/09/695904509.db2.gz HXSLHQMGPATBSE-UHFFFAOYSA-N 1 0 333.432 1.099 20 10 EDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000917013496 696876847 /nfs/dbraw/zinc/87/68/47/696876847.db2.gz DJFLILKUJVXHBQ-IBGZPJMESA-N 1 0 335.492 1.656 20 10 EDCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1(CO)CC1 ZINC000924008819 696959081 /nfs/dbraw/zinc/95/90/81/696959081.db2.gz UZEPIRRLYWHYSP-OAHLLOKOSA-N 1 0 346.475 1.399 20 10 EDCDRO Cc1[nH]c(=O)[nH]c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918844517 697215400 /nfs/dbraw/zinc/21/54/00/697215400.db2.gz GTCSLSHADUPOLW-UHFFFAOYSA-N 1 0 329.404 1.106 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C)cc1C ZINC000939044472 699101133 /nfs/dbraw/zinc/10/11/33/699101133.db2.gz JAPVTGVNUCVLSQ-ZFWWWQNUSA-N 1 0 345.443 1.206 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2C)cc1C ZINC000939400502 699549677 /nfs/dbraw/zinc/54/96/77/699549677.db2.gz OMYHVMFXIHMLNS-HOCLYGCPSA-N 1 0 342.443 1.906 20 10 EDCDRO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000184264985 703095328 /nfs/dbraw/zinc/09/53/28/703095328.db2.gz YZUBBKCTUWDMJT-CQSZACIVSA-N 1 0 333.411 1.995 20 10 EDCDRO 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CC[NH+]1CCN(CCC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000174516585 529141772 /nfs/dbraw/zinc/14/17/72/529141772.db2.gz GKTCLMPOVCQCPZ-UHFFFAOYSA-N 1 0 345.487 1.915 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnns3)cc2F)CC1 ZINC000106702618 529153048 /nfs/dbraw/zinc/15/30/48/529153048.db2.gz PHFXJOSXGGKLKL-UHFFFAOYSA-N 1 0 349.435 1.749 20 10 EDCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000759579160 580009564 /nfs/dbraw/zinc/00/95/64/580009564.db2.gz KERWHEUGVBHHPQ-GFCCVEGCSA-N 1 0 343.522 1.170 20 10 EDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccccc3O)cc2)CC1 ZINC000733331093 578759938 /nfs/dbraw/zinc/75/99/38/578759938.db2.gz ZWFBQERYFFXOES-UHFFFAOYSA-N 1 0 346.452 1.917 20 10 EDCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)nn1 ZINC000761226801 580052252 /nfs/dbraw/zinc/05/22/52/580052252.db2.gz VGEAEWSPYQWDTO-JTQLQIEISA-N 1 0 336.779 1.871 20 10 EDCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000758053310 579974892 /nfs/dbraw/zinc/97/48/92/579974892.db2.gz CQETWOHSKFZIGO-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/38/95/45/580389545.db2.gz GIFXNTUSNVREPU-NSHDSACASA-N 1 0 335.404 1.772 20 10 EDCDRO CCOc1cccc(C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)c1O ZINC000779191453 580480796 /nfs/dbraw/zinc/48/07/96/580480796.db2.gz RESCQEMRQASESI-UHFFFAOYSA-N 1 0 336.432 1.860 20 10 EDCDRO O=C1NC(=O)N2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]12 ZINC000779433119 580485562 /nfs/dbraw/zinc/48/55/62/580485562.db2.gz QJDOAJJSZZZDSY-INIZCTEOSA-N 1 0 337.379 1.795 20 10 EDCDRO COC[C@@H](C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000783627501 580602813 /nfs/dbraw/zinc/60/28/13/580602813.db2.gz VXUQEWXKOFZPIX-AWEZNQCLSA-N 1 0 326.462 1.294 20 10 EDCDRO COc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)c(O)c1 ZINC000785588926 580647817 /nfs/dbraw/zinc/64/78/17/580647817.db2.gz ZLBLXMXACFKCAW-UHFFFAOYSA-N 1 0 335.429 1.984 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000800309209 581050248 /nfs/dbraw/zinc/05/02/48/581050248.db2.gz JKXONBSXVUVNGV-GDBMZVCRSA-N 1 0 325.478 1.560 20 10 EDCDRO COc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(O)c1OC ZINC000891925030 590691739 /nfs/dbraw/zinc/69/17/39/590691739.db2.gz QSIWPTKRAHBRSZ-HUUCEWRRSA-N 1 0 336.432 1.440 20 10 EDCDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000893327455 590781669 /nfs/dbraw/zinc/78/16/69/590781669.db2.gz BYGWOKQNJGSQSD-XJKSGUPXSA-N 1 0 333.432 1.430 20 10 EDCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000893329474 590783067 /nfs/dbraw/zinc/78/30/67/590783067.db2.gz READQDLJISBEML-DOTOQJQBSA-N 1 0 349.475 1.529 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3n(n2)CCO3)[NH+](C)C)cc1 ZINC000891247039 591016469 /nfs/dbraw/zinc/01/64/69/591016469.db2.gz GXTSTAMNVYUNDA-INIZCTEOSA-N 1 0 343.431 1.374 20 10 EDCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H]1CCC(=O)N1 ZINC000891248430 591017498 /nfs/dbraw/zinc/01/74/98/591017498.db2.gz MMZBJHUKTAULDW-XKQJLSEDSA-N 1 0 346.475 1.386 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(N)=O)o2)[NH+](C)C)cc1 ZINC000891250658 591019015 /nfs/dbraw/zinc/01/90/15/591019015.db2.gz BNUUXIUNPZEFTC-AWEZNQCLSA-N 1 0 344.415 1.477 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C=O)cn2C)[NH+](C)C)cc1 ZINC000891250243 591019279 /nfs/dbraw/zinc/01/92/79/591019279.db2.gz VSXZOSPIUDPCTF-GOSISDBHSA-N 1 0 342.443 1.936 20 10 EDCDRO Cc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891258574 591023147 /nfs/dbraw/zinc/02/31/47/591023147.db2.gz UVIIPLOJCLKWSR-KRWDZBQOSA-N 1 0 327.432 1.884 20 10 EDCDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000895772509 591270097 /nfs/dbraw/zinc/27/00/97/591270097.db2.gz GFURYWSYHAMHBZ-KRWDZBQOSA-N 1 0 329.444 1.672 20 10 EDCDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000894384089 591297182 /nfs/dbraw/zinc/29/71/82/591297182.db2.gz CWUPUUXAGPQBAH-DOTOQJQBSA-N 1 0 331.460 1.903 20 10 EDCDRO COC(=O)c1c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c2cc(F)ccc2n1C ZINC000894787862 591419104 /nfs/dbraw/zinc/41/91/04/591419104.db2.gz WOSOTCFNDHXAFD-LLVKDONJSA-N 1 0 347.390 1.801 20 10 EDCDRO CN(C)c1ccc([C@@H](CNc2ccc(C(N)=O)nn2)[NH+](C)C)cc1 ZINC000897525055 591528953 /nfs/dbraw/zinc/52/89/53/591528953.db2.gz ILEATUCBBNHLGD-OAHLLOKOSA-N 1 0 328.420 1.356 20 10 EDCDRO C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000899104560 591684184 /nfs/dbraw/zinc/68/41/84/591684184.db2.gz RKCIVIGGDGWWAW-YOEHRIQHSA-N 1 0 334.464 1.786 20 10 EDCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(CO)CC1 ZINC000899098446 591688079 /nfs/dbraw/zinc/68/80/79/591688079.db2.gz OMXVXJWVNQSANX-PBHICJAKSA-N 1 0 348.491 1.816 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)cc1OC ZINC000897022931 591717295 /nfs/dbraw/zinc/71/72/95/591717295.db2.gz KLRMQNOJSUGKLV-CYBMUJFWSA-N 1 0 336.388 1.730 20 10 EDCDRO COc1cc(O)c(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc1OC ZINC000898056707 591768637 /nfs/dbraw/zinc/76/86/37/591768637.db2.gz MIRTZUGVYCTLCV-SFHVURJKSA-N 1 0 347.415 1.938 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)c1O ZINC000895510036 591785305 /nfs/dbraw/zinc/78/53/05/591785305.db2.gz GCMLVBOABUMNLX-XJKSGUPXSA-N 1 0 341.429 1.021 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])[C@H]3CCCOC3)cc2)CC1 ZINC000901830891 591844701 /nfs/dbraw/zinc/84/47/01/591844701.db2.gz FEKOJQNCDCFZCG-FUHWJXTLSA-N 1 0 347.459 1.408 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000898350913 591883739 /nfs/dbraw/zinc/88/37/39/591883739.db2.gz NCYHBYOOGRQCKY-DOTOQJQBSA-N 1 0 335.448 1.600 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)[C@H]3CSCN3C2=O)[NH+](C)C)cc1 ZINC000900185331 591932627 /nfs/dbraw/zinc/93/26/27/591932627.db2.gz KERBFHYXPUFQEJ-HUUCEWRRSA-N 1 0 348.472 1.692 20 10 EDCDRO COCCN1CC(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900185346 591932673 /nfs/dbraw/zinc/93/26/73/591932673.db2.gz KLYFZFKAWZSFFA-MRXNPFEDSA-N 1 0 348.447 1.266 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2ccnn2CC[NH+](C)C)cc1F ZINC000900433582 592016953 /nfs/dbraw/zinc/01/69/53/592016953.db2.gz FOSHXUHCFHEAHS-UHFFFAOYSA-N 1 0 333.411 1.580 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1OC ZINC000902645205 592037562 /nfs/dbraw/zinc/03/75/62/592037562.db2.gz RXMUMWYTMXVINI-HUUCEWRRSA-N 1 0 336.432 1.440 20 10 EDCDRO COCC[C@H]([NH3+])Cc1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900602508 592065896 /nfs/dbraw/zinc/06/58/96/592065896.db2.gz YVBTYCJLZPOGCE-INIZCTEOSA-N 1 0 345.447 1.069 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000903046148 592113346 /nfs/dbraw/zinc/11/33/46/592113346.db2.gz PQKJKSUFGLHUBY-HNNXBMFYSA-N 1 0 335.448 1.813 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(O)c1 ZINC000903227477 592141603 /nfs/dbraw/zinc/14/16/03/592141603.db2.gz RSCXXZQTOIECER-NSHDSACASA-N 1 0 334.463 1.409 20 10 EDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC000903281292 592151649 /nfs/dbraw/zinc/15/16/49/592151649.db2.gz XLMGIZUYAVIJMP-LRDDRELGSA-N 1 0 328.840 1.698 20 10 EDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC000903281295 592151759 /nfs/dbraw/zinc/15/17/59/592151759.db2.gz XLMGIZUYAVIJMP-WBMJQRKESA-N 1 0 328.840 1.698 20 10 EDCDRO O=C(NCc1cc(Br)ccc1O)C12CC[NH+](CC1)C2 ZINC000908170716 592358924 /nfs/dbraw/zinc/35/89/24/592358924.db2.gz SPHLYNFBBWILQU-UHFFFAOYSA-N 1 0 325.206 1.867 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000911632357 592970092 /nfs/dbraw/zinc/97/00/92/592970092.db2.gz FBVRLKWFTKSYEY-FUHWJXTLSA-N 1 0 331.460 1.999 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000807025697 593135650 /nfs/dbraw/zinc/13/56/50/593135650.db2.gz XTNCEMVFDNSAHA-UHFFFAOYSA-N 1 0 346.475 1.278 20 10 EDCDRO CC(C)[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc(N(C)C)cc1 ZINC000838793178 593212595 /nfs/dbraw/zinc/21/25/95/593212595.db2.gz IJOQFQAVGXFMHD-AWEZNQCLSA-N 1 0 332.448 1.903 20 10 EDCDRO COC1([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000817297841 593590480 /nfs/dbraw/zinc/59/04/80/593590480.db2.gz WBCIBFXXWJYMHT-OAHLLOKOSA-N 1 0 349.475 1.543 20 10 EDCDRO C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817894031 593646361 /nfs/dbraw/zinc/64/63/61/593646361.db2.gz WXDMWEZYPMDNPG-WMLDXEAASA-N 1 0 337.489 1.152 20 10 EDCDRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000817919096 593648635 /nfs/dbraw/zinc/64/86/35/593648635.db2.gz PSWILWIXYBPEDO-RDJZCZTQSA-N 1 0 346.475 1.297 20 10 EDCDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817981663 593653279 /nfs/dbraw/zinc/65/32/79/593653279.db2.gz UMTZUXLXNANGIS-HOCLYGCPSA-N 1 0 337.439 1.691 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000817989855 593654112 /nfs/dbraw/zinc/65/41/12/593654112.db2.gz RXSHMAWOIHTZBE-MRXNPFEDSA-N 1 0 332.448 1.051 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818103621 593668465 /nfs/dbraw/zinc/66/84/65/593668465.db2.gz ULRYEWFADHDMIA-OAHLLOKOSA-N 1 0 343.431 1.961 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@](C)(C[NH3+])C3)C2)cc1 ZINC000818655734 593710528 /nfs/dbraw/zinc/71/05/28/593710528.db2.gz PRBKIQSKYTUICJ-DNVCBOLYSA-N 1 0 346.475 1.902 20 10 EDCDRO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818658674 593710770 /nfs/dbraw/zinc/71/07/70/593710770.db2.gz XYRIKAOVZBSKAD-DOTOQJQBSA-N 1 0 346.475 1.915 20 10 EDCDRO Cc1cc(NC(=O)CC[NH2+]Cc2ccc(N3CCOCC3)cc2)no1 ZINC000818973191 593731387 /nfs/dbraw/zinc/73/13/87/593731387.db2.gz NIQIVYBZBARGPT-UHFFFAOYSA-N 1 0 344.415 1.938 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H]3CC3(C)C)CC2)cc1 ZINC000819060085 593736596 /nfs/dbraw/zinc/73/65/96/593736596.db2.gz MYVXFWJTCNMDPP-AEFFLSMTSA-N 1 0 347.503 1.814 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000819167909 593742375 /nfs/dbraw/zinc/74/23/75/593742375.db2.gz JVBZPAKALKSAQJ-LSDHHAIUSA-N 1 0 345.399 1.020 20 10 EDCDRO CS[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH+](C)C ZINC000821353821 594025947 /nfs/dbraw/zinc/02/59/47/594025947.db2.gz BASPSRJMJBGWCX-OLZOCXBDSA-N 1 0 335.433 1.967 20 10 EDCDRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824559055 594038369 /nfs/dbraw/zinc/03/83/69/594038369.db2.gz DGULZOHTYSGOOE-LJQANCHMSA-N 1 0 333.476 1.460 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2CCCO)c1O ZINC000824564359 594039134 /nfs/dbraw/zinc/03/91/34/594039134.db2.gz KDTLQHAZYFZQHK-CQSZACIVSA-N 1 0 328.840 1.991 20 10 EDCDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000825337201 594169760 /nfs/dbraw/zinc/16/97/60/594169760.db2.gz DUADVXVGPMQCQW-LBPRGKRZSA-N 1 0 343.265 1.962 20 10 EDCDRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000825752645 594238309 /nfs/dbraw/zinc/23/83/09/594238309.db2.gz GJWUMQGUSNKOAB-NEPJUHHUSA-N 1 0 330.222 1.889 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1OC ZINC000827173143 594650438 /nfs/dbraw/zinc/65/04/38/594650438.db2.gz VSBMBZZXNCCZNL-CMPLNLGQSA-N 1 0 329.418 1.465 20 10 EDCDRO Cc1ccn(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(=O)c1 ZINC000832286023 594740391 /nfs/dbraw/zinc/74/03/91/594740391.db2.gz VNBHINRKWMQDAG-MRXNPFEDSA-N 1 0 328.416 1.039 20 10 EDCDRO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840946215 594831225 /nfs/dbraw/zinc/83/12/25/594831225.db2.gz JVGZNHLQALTWBY-UHFFFAOYSA-N 1 0 339.505 1.965 20 10 EDCDRO CNC(=O)c1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841041860 594843389 /nfs/dbraw/zinc/84/33/89/594843389.db2.gz FXDNOXCVSKLUOR-SFHVURJKSA-N 1 0 326.444 1.902 20 10 EDCDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729235 594944729 /nfs/dbraw/zinc/94/47/29/594944729.db2.gz DKAKLUYGROAJQG-GOEBONIOSA-N 1 0 332.448 1.402 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000841741637 594946168 /nfs/dbraw/zinc/94/61/68/594946168.db2.gz OSAZSWGQENFKSV-HOCLYGCPSA-N 1 0 332.448 1.635 20 10 EDCDRO C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844353 594963394 /nfs/dbraw/zinc/96/33/94/594963394.db2.gz XXMSBVGJGYKPER-VXGBXAGGSA-N 1 0 342.390 1.903 20 10 EDCDRO COc1ccccc1[C@@H](N)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846256 594963970 /nfs/dbraw/zinc/96/39/70/594963970.db2.gz NMTNTFVNWCJDBY-FUHWJXTLSA-N 1 0 342.443 1.577 20 10 EDCDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000841892264 594975556 /nfs/dbraw/zinc/97/55/56/594975556.db2.gz WAFZTDDVVJJSLS-IRXDYDNUSA-N 1 0 333.476 1.410 20 10 EDCDRO [NH3+]C[C@H](NC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000841946296 594987056 /nfs/dbraw/zinc/98/70/56/594987056.db2.gz IWBRTJGXEZMPCY-NSHDSACASA-N 1 0 328.210 1.691 20 10 EDCDRO [NH3+][C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000841966065 594991343 /nfs/dbraw/zinc/99/13/43/594991343.db2.gz OZCJHZUBYVZQFF-CVEARBPZSA-N 1 0 333.432 1.820 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841986193 594995822 /nfs/dbraw/zinc/99/58/22/594995822.db2.gz SKBLFPAMRVNUCV-OAHLLOKOSA-N 1 0 334.464 1.663 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000842154092 595024805 /nfs/dbraw/zinc/02/48/05/595024805.db2.gz RFZBTCSKOFZIOV-WMLDXEAASA-N 1 0 346.475 1.406 20 10 EDCDRO CCCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CC[NH2+]C1 ZINC000842154852 595025056 /nfs/dbraw/zinc/02/50/56/595025056.db2.gz XLOXYLVQSCHNAS-QGZVFWFLSA-N 1 0 346.475 1.278 20 10 EDCDRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000842203294 595037789 /nfs/dbraw/zinc/03/77/89/595037789.db2.gz QKXHSYLJBCDSCL-PBHICJAKSA-N 1 0 346.475 1.530 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000842227667 595044796 /nfs/dbraw/zinc/04/47/96/595044796.db2.gz VPOIUMKPOHWOFG-KRWDZBQOSA-N 1 0 346.475 1.343 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842230733 595045928 /nfs/dbraw/zinc/04/59/28/595045928.db2.gz ZFXWZWLDIWZJFU-LSDHHAIUSA-N 1 0 347.459 1.635 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000842232089 595046846 /nfs/dbraw/zinc/04/68/46/595046846.db2.gz DKFFHDDACZURPS-HNNXBMFYSA-N 1 0 347.459 1.637 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000842252016 595056074 /nfs/dbraw/zinc/05/60/74/595056074.db2.gz WYKBYMNPJWOKRK-QGZVFWFLSA-N 1 0 348.491 1.591 20 10 EDCDRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350945 595083667 /nfs/dbraw/zinc/08/36/67/595083667.db2.gz YKIGUGODUQJXFE-XJKSGUPXSA-N 1 0 344.459 1.010 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000846151806 595158289 /nfs/dbraw/zinc/15/82/89/595158289.db2.gz HOUGCKFRCNZRCK-BXUZGUMPSA-N 1 0 330.388 1.590 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000846171263 595164146 /nfs/dbraw/zinc/16/41/46/595164146.db2.gz FTECSNPGTVMBBC-UHFFFAOYSA-N 1 0 332.448 1.693 20 10 EDCDRO CCS(=O)(=O)NCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038106 595250992 /nfs/dbraw/zinc/25/09/92/595250992.db2.gz UOYZINJSELSFTN-ALCCZGGFSA-N 1 0 325.478 1.685 20 10 EDCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCCN12 ZINC000835074155 595257452 /nfs/dbraw/zinc/25/74/52/595257452.db2.gz QMTGKHXBYCYJMU-ROUUACIJSA-N 1 0 329.444 1.766 20 10 EDCDRO C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000844175033 595292638 /nfs/dbraw/zinc/29/26/38/595292638.db2.gz CKSQOJFPQAOFAB-CRAIPNDOSA-N 1 0 347.459 1.469 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cc1F ZINC000844190769 595297800 /nfs/dbraw/zinc/29/78/00/595297800.db2.gz NUXMWYGFCOUKHL-CZUORRHYSA-N 1 0 335.423 1.871 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@H](C)[NH2+]C[C@H]3C)CC2)cc1 ZINC000844223784 595308000 /nfs/dbraw/zinc/30/80/00/595308000.db2.gz CAUQXWXWXJWUOU-JKSUJKDBSA-N 1 0 346.475 1.026 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000844224873 595308675 /nfs/dbraw/zinc/30/86/75/595308675.db2.gz KCUSQLDPYKYTPB-IBGZPJMESA-N 1 0 330.476 1.444 20 10 EDCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)COC2)c1O ZINC000848535885 595403758 /nfs/dbraw/zinc/40/37/58/595403758.db2.gz LOYDWKLKENHZDE-VIFPVBQESA-N 1 0 346.221 1.823 20 10 EDCDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000848557590 595405011 /nfs/dbraw/zinc/40/50/11/595405011.db2.gz GEBYHRCFVJRVGF-SUMWQHHRSA-N 1 0 326.412 1.710 20 10 EDCDRO [NH3+]C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000848596435 595413896 /nfs/dbraw/zinc/41/38/96/595413896.db2.gz WSAOCSQMCAKCKD-ZDUSSCGKSA-N 1 0 331.338 1.960 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000848910250 595466458 /nfs/dbraw/zinc/46/64/58/595466458.db2.gz GVDPMNDKYCTALA-KSSFIOAISA-N 1 0 331.416 1.907 20 10 EDCDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000849017126 595474992 /nfs/dbraw/zinc/47/49/92/595474992.db2.gz FUIUXUJPCUOCLV-ZFWWWQNUSA-N 1 0 331.464 1.801 20 10 EDCDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122389 595671735 /nfs/dbraw/zinc/67/17/35/595671735.db2.gz PUNNHUCZJFSQHU-IBGZPJMESA-N 1 0 336.476 1.913 20 10 EDCDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122390 595672128 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EDCDRO CC1(C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000851680018 595882399 /nfs/dbraw/zinc/88/23/99/595882399.db2.gz GDNNZZRQRBCJSG-UHFFFAOYSA-N 1 0 346.475 1.541 20 10 EDCDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851686798 595884790 /nfs/dbraw/zinc/88/47/90/595884790.db2.gz UAIFDABOYGUFNA-UHFFFAOYSA-N 1 0 332.448 1.099 20 10 EDCDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230465 596008962 /nfs/dbraw/zinc/00/89/62/596008962.db2.gz QUNMMVDPUHLNPB-ROUUACIJSA-N 1 0 347.459 1.031 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861798671 596107064 /nfs/dbraw/zinc/10/70/64/596107064.db2.gz WYCIZMWSBFHZRY-LSDHHAIUSA-N 1 0 333.432 1.388 20 10 EDCDRO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CCO ZINC000852456847 596170544 /nfs/dbraw/zinc/17/05/44/596170544.db2.gz LXKFJDMBNFZDGC-CRAIPNDOSA-N 1 0 333.476 1.852 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c(O)c1C ZINC000866551836 596246747 /nfs/dbraw/zinc/24/67/47/596246747.db2.gz CRSDPLUSPKYHBD-KSSFIOAISA-N 1 0 334.416 1.287 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000862550597 596344477 /nfs/dbraw/zinc/34/44/77/596344477.db2.gz FSNLNJSSLZYLFY-OAHLLOKOSA-N 1 0 339.505 1.822 20 10 EDCDRO C[C@@H]1CCn2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)nc2C1 ZINC000870932454 596410485 /nfs/dbraw/zinc/41/04/85/596410485.db2.gz FQYDBOVNKROFNP-CJNGLKHVSA-N 1 0 341.459 1.961 20 10 EDCDRO CC(C)c1nccn1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506157 597224554 /nfs/dbraw/zinc/22/45/54/597224554.db2.gz GHTCTZDGJONEMR-MRXNPFEDSA-N 1 0 329.448 1.889 20 10 EDCDRO C[C@@H]1C[NH+](CCCNC(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 ZINC000875042110 597256875 /nfs/dbraw/zinc/25/68/75/597256875.db2.gz LAJVWHLJYOQYEH-ZIAGYGMSSA-N 1 0 333.432 1.917 20 10 EDCDRO O=C(CC[NH2+]CC1CC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876729079 597309520 /nfs/dbraw/zinc/30/95/20/597309520.db2.gz DKMXJEAYWYDKOT-UHFFFAOYSA-N 1 0 345.487 1.901 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)c1 ZINC000876879639 597367090 /nfs/dbraw/zinc/36/70/90/597367090.db2.gz UHJBRTMVLWAWFC-BSNNYGBQSA-N 1 0 340.445 1.079 20 10 EDCDRO C[NH+](C)C1CCN(CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875429087 597425291 /nfs/dbraw/zinc/42/52/91/597425291.db2.gz YDKCMAVJZXRIQQ-UHFFFAOYSA-N 1 0 332.448 1.443 20 10 EDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000877138625 597440965 /nfs/dbraw/zinc/44/09/65/597440965.db2.gz PGKZXXLJLVBONA-XJKSGUPXSA-N 1 0 325.430 1.527 20 10 EDCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000877146178 597442768 /nfs/dbraw/zinc/44/27/68/597442768.db2.gz PPDAPUASNHDBGT-AEFFLSMTSA-N 1 0 331.460 1.903 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCNC(=O)C3)cc2)C1 ZINC000877146229 597442808 /nfs/dbraw/zinc/44/28/08/597442808.db2.gz QDKSYWKSYGMTHB-CVEARBPZSA-N 1 0 344.459 1.147 20 10 EDCDRO Cc1ccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000877148888 597443273 /nfs/dbraw/zinc/44/32/73/597443273.db2.gz YFGAZDKNMJPPAZ-AWEZNQCLSA-N 1 0 329.322 1.974 20 10 EDCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1 ZINC000877195838 597458689 /nfs/dbraw/zinc/45/86/89/597458689.db2.gz OKYMKSUJQIGYGI-OAHLLOKOSA-N 1 0 328.416 1.715 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CCC(C)(C)[NH3+])CC2)c(OC)c1 ZINC000877227039 597467250 /nfs/dbraw/zinc/46/72/50/597467250.db2.gz AXKTUEFMENOFNS-UHFFFAOYSA-N 1 0 335.448 1.870 20 10 EDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(O)c1 ZINC000877517759 597529535 /nfs/dbraw/zinc/52/95/35/597529535.db2.gz PGWFJJRUCRHXPB-DZGCQCFKSA-N 1 0 326.462 1.898 20 10 EDCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000877621636 597542091 /nfs/dbraw/zinc/54/20/91/597542091.db2.gz YUVSXIJFCOSDRQ-APWZRJJASA-N 1 0 334.460 1.789 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)COC3CC3)CC2)cc1 ZINC000877982059 597567900 /nfs/dbraw/zinc/56/79/00/597567900.db2.gz GOVOTONVRRHOAT-UHFFFAOYSA-N 1 0 347.459 1.503 20 10 EDCDRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000879648286 597673748 /nfs/dbraw/zinc/67/37/48/597673748.db2.gz IOVRCRKJIZAOAG-CHWSQXEVSA-N 1 0 334.416 1.843 20 10 EDCDRO CCOCCO[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851836 597754452 /nfs/dbraw/zinc/75/44/52/597754452.db2.gz RRZJFWCRJINGQG-MRXNPFEDSA-N 1 0 349.475 1.496 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3ncccn3)cc2)CC1 ZINC000881852873 597755119 /nfs/dbraw/zinc/75/51/19/597755119.db2.gz DMTCUIMNQMFTKU-UHFFFAOYSA-N 1 0 339.443 1.477 20 10 EDCDRO C[NH+](C)CCn1ccc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000131966812 597773272 /nfs/dbraw/zinc/77/32/72/597773272.db2.gz GIPIPUBOTOVDEH-UHFFFAOYSA-N 1 0 329.448 1.893 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C)(F)CC1)cc2=O ZINC000879382105 597905525 /nfs/dbraw/zinc/90/55/25/597905525.db2.gz QQXLSRMQADCWKN-UHFFFAOYSA-N 1 0 336.367 1.936 20 10 EDCDRO O=C(c1c(F)ccc(O)c1O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880385433 597919597 /nfs/dbraw/zinc/91/95/97/597919597.db2.gz ZCKUPENJUZPBRY-UHFFFAOYSA-N 1 0 331.347 1.984 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCCF)cc2)CC1 ZINC000882664071 598016052 /nfs/dbraw/zinc/01/60/52/598016052.db2.gz IURKHLPKUNJFKB-UHFFFAOYSA-N 1 0 329.441 1.217 20 10 EDCDRO CN(C)c1ccc(CNC(=O)Cn2cc(C3CC[NH2+]CC3)nn2)cc1 ZINC000881094494 598074439 /nfs/dbraw/zinc/07/44/39/598074439.db2.gz KPQNRBCCOWGRJL-UHFFFAOYSA-N 1 0 342.447 1.128 20 10 EDCDRO COC1CCN(c2ccc(Cn3cc(CCC[NH3+])nn3)cc2)CC1 ZINC000881380153 598136564 /nfs/dbraw/zinc/13/65/64/598136564.db2.gz MDQDJWONGSLTRA-UHFFFAOYSA-N 1 0 329.448 1.833 20 10 EDCDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(N2CCOCC2)cc1 ZINC000174812349 695978080 /nfs/dbraw/zinc/97/80/80/695978080.db2.gz LOAQIZOIENHAQR-UHFFFAOYSA-N 1 0 345.403 1.760 20 10 EDCDRO CN(C)c1ccc(C[N@H+](CCC(=O)N2CCOCC2)C2CC2)cc1 ZINC000917075155 696908902 /nfs/dbraw/zinc/90/89/02/696908902.db2.gz QRYCXYGPCMWSGV-UHFFFAOYSA-N 1 0 331.460 1.966 20 10 EDCDRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCO2)NCc1ccccc1 ZINC000069065004 699051903 /nfs/dbraw/zinc/05/19/03/699051903.db2.gz IXIGXGFCBXKWQD-UHFFFAOYSA-N 1 0 346.452 1.831 20 10 EDCDRO CO[C@@]1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCS(=O)(=O)C1 ZINC000922616812 704142487 /nfs/dbraw/zinc/14/24/87/704142487.db2.gz TXEZCSHTSDTKIO-OAHLLOKOSA-N 1 0 330.425 1.185 20 10 EDCDRO Fc1cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)ccc1N1CCOCC1 ZINC000922723613 704282412 /nfs/dbraw/zinc/28/24/12/704282412.db2.gz AOUOJXBMJPQHFQ-VKJFTORMSA-N 1 0 336.407 1.556 20 10 EDCDRO COC(=O)c1cnc(CC[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000922834332 704399608 /nfs/dbraw/zinc/39/96/08/704399608.db2.gz LFSRZGDXIKCIAJ-UHFFFAOYSA-N 1 0 336.369 1.696 20 10 EDCDRO CC[C@H](C[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001032218788 704616334 /nfs/dbraw/zinc/61/63/34/704616334.db2.gz DJCIIAFQGUDBRZ-OAHLLOKOSA-N 1 0 347.419 1.936 20 10 EDCDRO C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034548625 710223496 /nfs/dbraw/zinc/22/34/96/710223496.db2.gz QFLSWNUPDGNMKU-DOMZBBRYSA-N 1 0 347.419 1.814 20 10 EDCDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000092012076 237013937 /nfs/dbraw/zinc/01/39/37/237013937.db2.gz JEPJVOQQZDXCJK-SJCJKPOMSA-N 1 0 345.399 1.800 20 10 EDCDRO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000108807047 237102630 /nfs/dbraw/zinc/10/26/30/237102630.db2.gz YNCUJGQUUOLIGV-MOTZXUDYSA-N 1 0 329.444 1.699 20 10 EDCDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000269005003 249376744 /nfs/dbraw/zinc/37/67/44/249376744.db2.gz KYFSGGHBAQYMPR-HIFRSBDPSA-N 1 0 326.412 1.710 20 10 EDCDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCc1ccccc1O ZINC000269141428 249378090 /nfs/dbraw/zinc/37/80/90/249378090.db2.gz MIIPWCPFEWWRJH-UHFFFAOYSA-N 1 0 340.427 1.616 20 10 EDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269231979 249378568 /nfs/dbraw/zinc/37/85/68/249378568.db2.gz INFSOXAYRKKZKG-VXGBXAGGSA-N 1 0 343.221 1.226 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@H]1CCC[C@H]1O)cc2=O ZINC000270064661 249382396 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EDCDRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000152901186 442249760 /nfs/dbraw/zinc/24/97/60/442249760.db2.gz RELZTIIYCAASNE-GOSISDBHSA-N 1 0 330.432 1.532 20 10 EDCDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000179495837 442465814 /nfs/dbraw/zinc/46/58/14/442465814.db2.gz XGJPCQMDRFEIRB-UHFFFAOYSA-N 1 0 335.448 1.554 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c(O)c1 ZINC000186064043 443305061 /nfs/dbraw/zinc/30/50/61/443305061.db2.gz RIPFZFTZAMUXCN-HOTGVXAUSA-N 1 0 347.459 1.284 20 10 EDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000186063525 443305364 /nfs/dbraw/zinc/30/53/64/443305364.db2.gz MFJYQTFVUSEQGZ-HOTGVXAUSA-N 1 0 347.459 1.284 20 10 EDCDRO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273423166 443571447 /nfs/dbraw/zinc/57/14/47/443571447.db2.gz SOSYEYWCRMAERV-CYBMUJFWSA-N 1 0 336.436 1.977 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000273961155 443588972 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C[NH+](C)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000283888042 443756463 /nfs/dbraw/zinc/75/64/63/443756463.db2.gz FTPCMRHXPMIFHX-KRWDZBQOSA-N 1 0 344.459 1.066 20 10 EDCDRO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000292018056 443773842 /nfs/dbraw/zinc/77/38/42/443773842.db2.gz FAAVAMNOUYYGCO-OAHLLOKOSA-N 1 0 335.423 1.811 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277221859 443940852 /nfs/dbraw/zinc/94/08/52/443940852.db2.gz NYKNGXZMLUTRKD-QGZVFWFLSA-N 1 0 332.492 1.785 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000289345054 444113701 /nfs/dbraw/zinc/11/37/01/444113701.db2.gz IKHBJQKSXGWTOV-CQSZACIVSA-N 1 0 328.434 1.257 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1F ZINC000289487193 444156667 /nfs/dbraw/zinc/15/66/67/444156667.db2.gz RGPLUAWVHOTFNW-UHFFFAOYSA-N 1 0 334.395 1.408 20 10 EDCDRO COC1CCN(c2ccc(C[N@H+](C[C@H](C)O)[C@H](C)CO)cc2)CC1 ZINC000295926365 444194560 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20 10 EDCDRO COc1c([O-])c(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000367348600 446538229 /nfs/dbraw/zinc/53/82/29/446538229.db2.gz JJAQBRQMSIEPAD-VXGBXAGGSA-N 1 0 335.360 1.552 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c1 ZINC000371324824 446774468 /nfs/dbraw/zinc/77/44/68/446774468.db2.gz AUFCSKUXTMJLSB-CQSZACIVSA-N 1 0 328.434 1.305 20 10 EDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)nn1 ZINC000372039344 446985465 /nfs/dbraw/zinc/98/54/65/446985465.db2.gz RDMBSIBHDMMIJV-GFCCVEGCSA-N 1 0 334.351 1.747 20 10 EDCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000742377342 579450332 /nfs/dbraw/zinc/45/03/32/579450332.db2.gz SNIIEKHGEFSZHM-AWEZNQCLSA-N 1 0 326.412 1.803 20 10 EDCDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(OC)c1OCC(N)=O ZINC000725851558 578289614 /nfs/dbraw/zinc/28/96/14/578289614.db2.gz SZGPQHYOTKHMRI-UHFFFAOYSA-N 1 0 346.383 1.563 20 10 EDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730277812 578638655 /nfs/dbraw/zinc/63/86/55/578638655.db2.gz CFGJOOPSVQLVBV-UHFFFAOYSA-N 1 0 337.439 1.745 20 10 EDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000730280447 578639103 /nfs/dbraw/zinc/63/91/03/578639103.db2.gz ULLRQCDGWYDTPI-INIZCTEOSA-N 1 0 346.475 1.346 20 10 EDCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(OC)c(C)cc3O)C2)nn1 ZINC000760535513 580033107 /nfs/dbraw/zinc/03/31/07/580033107.db2.gz VYDDCBBEBOQYBY-CYBMUJFWSA-N 1 0 346.387 1.534 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc2c(C(N)=O)cnn2c1 ZINC000734512033 578819794 /nfs/dbraw/zinc/81/97/94/578819794.db2.gz MRLXPLDZOLXXTO-UHFFFAOYSA-N 1 0 338.415 1.492 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000754043833 579894604 /nfs/dbraw/zinc/89/46/04/579894604.db2.gz VXWQLPFVJTUNNC-AOIWGVFYSA-N 1 0 347.503 1.908 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@]1(C)CCO[C@H]1C)cc2=O ZINC000755166963 579921716 /nfs/dbraw/zinc/92/17/16/579921716.db2.gz BTKYCOVOODHJRR-MGPLVRAMSA-N 1 0 334.376 1.269 20 10 EDCDRO CCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCS(=O)(=O)C1 ZINC000768440591 580212823 /nfs/dbraw/zinc/21/28/23/580212823.db2.gz AIKNDUMZAVNUFH-IUODEOHRSA-N 1 0 341.429 1.217 20 10 EDCDRO Oc1cc2c(cc1CN1CC[NH+](CC3CCOCC3)CC1)[C@@H](O)CO2 ZINC000768446211 580213246 /nfs/dbraw/zinc/21/32/46/580213246.db2.gz IZZVRQZMWSDNOU-SFHVURJKSA-N 1 0 348.443 1.362 20 10 EDCDRO COCCCNC(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768985587 580225334 /nfs/dbraw/zinc/22/53/34/580225334.db2.gz ZJIHMSOIHWVOGI-UHFFFAOYSA-N 1 0 336.432 1.766 20 10 EDCDRO OCC[C@@H]1CSCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000770305734 580257782 /nfs/dbraw/zinc/25/77/82/580257782.db2.gz KDHAATLLNRVFFR-OAHLLOKOSA-N 1 0 340.464 1.962 20 10 EDCDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000771462858 580287352 /nfs/dbraw/zinc/28/73/52/580287352.db2.gz WSYKMONDBDXQLM-HZPDHXFCSA-N 1 0 332.492 1.735 20 10 EDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773315273 580333704 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COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1O ZINC000800864725 581060292 /nfs/dbraw/zinc/06/02/92/581060292.db2.gz ZEHMNFTYZRONON-OKILXGFUSA-N 1 0 343.379 1.932 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)N(C)C ZINC000891990033 590730399 /nfs/dbraw/zinc/73/03/99/590730399.db2.gz MCCLKNMZLZPSIF-BBRMVZONSA-N 1 0 349.479 1.131 20 10 EDCDRO Nc1ccc(CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000892038208 590763985 /nfs/dbraw/zinc/76/39/85/590763985.db2.gz BIEWYTQSWGYEIU-DGCLKSJQSA-N 1 0 330.354 1.590 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc3n2CCC3)[NH+](C)C)cc1 ZINC000891245527 591014983 /nfs/dbraw/zinc/01/49/83/591014983.db2.gz GAJIDQLIJIZCDZ-INIZCTEOSA-N 1 0 341.459 1.928 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccncn2)[NH+](C)C)cc1 ZINC000891248393 591017348 /nfs/dbraw/zinc/01/73/48/591017348.db2.gz LIGBYXARAVZONS-VOCYLRNQSA-N 1 0 339.443 1.975 20 10 EDCDRO Cc1noc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891252115 591019780 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EDCDRO COc1cc(C)cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000894928618 591480911 /nfs/dbraw/zinc/48/09/11/591480911.db2.gz LHHXXCWEZGDKTP-MRXNPFEDSA-N 1 0 347.459 1.496 20 10 EDCDRO COC(=O)c1c(CN2CC(C)(C(N)=O)C2)c2cc(F)ccc2n1C ZINC000895075748 591568907 /nfs/dbraw/zinc/56/89/07/591568907.db2.gz GOENXHOMWPSHOG-UHFFFAOYSA-N 1 0 333.363 1.411 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(CCO)C2CC2)[NH+](C)C)cc1 ZINC000899101323 591681929 /nfs/dbraw/zinc/68/19/29/591681929.db2.gz IVBMOBGNIZRHIZ-QGZVFWFLSA-N 1 0 334.464 1.522 20 10 EDCDRO CCOc1ccc(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)c(O)c1 ZINC000895267252 591688955 /nfs/dbraw/zinc/68/89/55/591688955.db2.gz SEQSJHDWFZSGOV-UHFFFAOYSA-N 1 0 331.420 1.535 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)C2CCC2)[NH+](C)C)cc1 ZINC000899099260 591689247 /nfs/dbraw/zinc/68/92/47/591689247.db2.gz XQZPMXHYKLNOFP-ZWKOTPCHSA-N 1 0 348.491 1.816 20 10 EDCDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000897985015 591750331 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O=C(NCc1cccc(Br)c1O)C12CC[NH+](CC1)C2 ZINC000907757295 592779447 /nfs/dbraw/zinc/77/94/47/592779447.db2.gz CZCPPFRUBKLKNE-UHFFFAOYSA-N 1 0 325.206 1.867 20 10 EDCDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000911395238 592911716 /nfs/dbraw/zinc/91/17/16/592911716.db2.gz KMFFYGHMSYHWNN-GDBMZVCRSA-N 1 0 346.475 1.073 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549633 592943642 /nfs/dbraw/zinc/94/36/42/592943642.db2.gz MYZUATHQIWJBRP-OWCLPIDISA-N 1 0 345.443 1.530 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]([NH3+])Cc1cc[nH]n1 ZINC000911633369 592970898 /nfs/dbraw/zinc/97/08/98/592970898.db2.gz RFXSHGCEGTZVRX-SFHVURJKSA-N 1 0 341.459 1.928 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2snnc2C2CC2)cc1 ZINC000911668185 592974481 /nfs/dbraw/zinc/97/44/81/592974481.db2.gz VWWYHINPUCLNJU-CYBMUJFWSA-N 1 0 331.445 1.911 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000839275030 593287316 /nfs/dbraw/zinc/28/73/16/593287316.db2.gz KJJBDZWGCHXABW-UHFFFAOYSA-N 1 0 335.448 1.541 20 10 EDCDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000815579104 593642952 /nfs/dbraw/zinc/64/29/52/593642952.db2.gz FGBYMXQDIKVHKT-MRXNPFEDSA-N 1 0 338.473 1.579 20 10 EDCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000817926381 593649143 /nfs/dbraw/zinc/64/91/43/593649143.db2.gz HTMCCMIFQFHPMZ-HNNXBMFYSA-N 1 0 344.459 1.064 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000817931845 593649713 /nfs/dbraw/zinc/64/97/13/593649713.db2.gz UHUMZFYVBXDGKH-UHFFFAOYSA-N 1 0 346.475 1.439 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000817929461 593649782 /nfs/dbraw/zinc/64/97/82/593649782.db2.gz OXEWAXHXRPTVKL-UHFFFAOYSA-N 1 0 331.420 1.775 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000817948713 593651304 /nfs/dbraw/zinc/65/13/04/593651304.db2.gz COHQDAACOWIKOL-ZIAGYGMSSA-N 1 0 333.432 1.327 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000818655253 593710492 /nfs/dbraw/zinc/71/04/92/593710492.db2.gz JRPRAQCQLYUNPW-HUUCEWRRSA-N 1 0 332.448 1.512 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000819309167 593749910 /nfs/dbraw/zinc/74/99/10/593749910.db2.gz LWBYPAYAMXNYKF-PKOBYXMFSA-N 1 0 347.503 1.956 20 10 EDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000823793195 593860115 /nfs/dbraw/zinc/86/01/15/593860115.db2.gz CZMFRRJQSKZBMW-ZIAGYGMSSA-N 1 0 343.383 1.811 20 10 EDCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825292518 594162293 /nfs/dbraw/zinc/16/22/93/594162293.db2.gz XEJWIZQWOMXHFH-CYBMUJFWSA-N 1 0 329.238 1.965 20 10 EDCDRO COc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)nc1 ZINC000825305494 594163878 /nfs/dbraw/zinc/16/38/78/594163878.db2.gz LKWNQLKIKPUMBK-UHFFFAOYSA-N 1 0 343.383 1.847 20 10 EDCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000823581968 594218884 /nfs/dbraw/zinc/21/88/84/594218884.db2.gz VDRSQJARTRFRAJ-MRXNPFEDSA-N 1 0 336.432 1.214 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000829764290 594258150 /nfs/dbraw/zinc/25/81/50/594258150.db2.gz IVJKGAFSXHUWMX-INIZCTEOSA-N 1 0 342.447 1.507 20 10 EDCDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C1 ZINC000825862988 594264710 /nfs/dbraw/zinc/26/47/10/594264710.db2.gz LCQLUNSVHCDFAW-LBPRGKRZSA-N 1 0 337.395 1.089 20 10 EDCDRO COC[C@@]1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC[NH2+]C1 ZINC000827726175 594265730 /nfs/dbraw/zinc/26/57/30/594265730.db2.gz UAWUFDHNIWRKND-HNAYVOBHSA-N 1 0 347.459 1.327 20 10 EDCDRO Oc1cc(Br)ccc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000826139796 594343367 /nfs/dbraw/zinc/34/33/67/594343367.db2.gz OLOKMTVLNZRVAS-CYBMUJFWSA-N 1 0 327.222 1.406 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C(C)(C)C)CC2)cc1 ZINC000830560468 594423214 /nfs/dbraw/zinc/42/32/14/594423214.db2.gz FMUAKFHIOJYTDA-QGZVFWFLSA-N 1 0 335.492 1.908 20 10 EDCDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003441 594546715 /nfs/dbraw/zinc/54/67/15/594546715.db2.gz MZUSJIXJCVNCED-JTDSTZFVSA-N 1 0 330.428 1.899 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000831114507 594559659 /nfs/dbraw/zinc/55/96/59/594559659.db2.gz WEYDVXAJSFJVNX-RDTXWAMCSA-N 1 0 332.448 1.573 20 10 EDCDRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCOCC1 ZINC000826872537 594592103 /nfs/dbraw/zinc/59/21/03/594592103.db2.gz OCWIJNCLADQQLA-CQSZACIVSA-N 1 0 325.405 1.941 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000829505373 594627770 /nfs/dbraw/zinc/62/77/70/594627770.db2.gz LTTSLSCWIVWKNV-GOSISDBHSA-N 1 0 346.475 1.061 20 10 EDCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC(CO)(CO)C2)ccc1N1CCCCC1 ZINC000827481076 594676297 /nfs/dbraw/zinc/67/62/97/594676297.db2.gz JTVPELSPIQFAEL-UHFFFAOYSA-N 1 0 349.431 1.762 20 10 EDCDRO CC(C)n1ccc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832272562 594739449 /nfs/dbraw/zinc/73/94/49/594739449.db2.gz GTXFUSKRWPLIPI-QGZVFWFLSA-N 1 0 329.448 1.889 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2OCCO3)cc1 ZINC000832279548 594739894 /nfs/dbraw/zinc/73/98/94/594739894.db2.gz JUXFEBDXEVNAMG-INIZCTEOSA-N 1 0 341.411 1.954 20 10 EDCDRO CC1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832283886 594740252 /nfs/dbraw/zinc/74/02/52/594740252.db2.gz CXCBPYXEWDGNNX-MRXNPFEDSA-N 1 0 332.448 1.127 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCn2ccccc2=O)cc1 ZINC000832300275 594741122 /nfs/dbraw/zinc/74/11/22/594741122.db2.gz QPGRXYYIPMTVML-INIZCTEOSA-N 1 0 328.416 1.121 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCOC[C@@H]2CCCO2)cc1 ZINC000832299745 594741132 /nfs/dbraw/zinc/74/11/32/594741132.db2.gz HFVSZRJFDXERCX-DLBZAZTESA-N 1 0 335.448 1.454 20 10 EDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)cc1 ZINC000840896696 594824614 /nfs/dbraw/zinc/82/46/14/594824614.db2.gz LXQITSPKLYVGDG-AWEZNQCLSA-N 1 0 344.463 1.964 20 10 EDCDRO CNC(=O)NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000840975328 594834256 /nfs/dbraw/zinc/83/42/56/594834256.db2.gz VZUHMFBYZBLRFY-UHFFFAOYSA-N 1 0 332.448 1.417 20 10 EDCDRO COc1cccc(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1O ZINC000841321097 594884323 /nfs/dbraw/zinc/88/43/23/594884323.db2.gz FACHZDDWBHOLRM-CYBMUJFWSA-N 1 0 342.399 1.934 20 10 EDCDRO [NH3+][C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000841706347 594940845 /nfs/dbraw/zinc/94/08/45/594940845.db2.gz DFSJJRQREJHUJR-INIZCTEOSA-N 1 0 334.489 1.776 20 10 EDCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841715872 594942623 /nfs/dbraw/zinc/94/26/23/594942623.db2.gz FHMCWYNUEGTCAM-HUUCEWRRSA-N 1 0 334.464 1.349 20 10 EDCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000841729563 594944506 /nfs/dbraw/zinc/94/45/06/594944506.db2.gz HELXHSONWMPSFM-WBVHZDCISA-N 1 0 346.475 1.650 20 10 EDCDRO COC[C@]1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCC[NH2+]1 ZINC000841758778 594948245 /nfs/dbraw/zinc/94/82/45/594948245.db2.gz DCUINZMJHYEMRJ-QGZVFWFLSA-N 1 0 338.427 1.460 20 10 EDCDRO CN1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H](C[NH3+])C1 ZINC000841848681 594965276 /nfs/dbraw/zinc/96/52/76/594965276.db2.gz WEZBXPRRADJJME-CQSZACIVSA-N 1 0 345.472 1.031 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)NC[C@@H]3C[NH2+]CCCO3)cs2)cc1 ZINC000841854968 594966117 /nfs/dbraw/zinc/96/61/17/594966117.db2.gz CYVBHVMUQDVBLX-AWEZNQCLSA-N 1 0 346.456 1.424 20 10 EDCDRO C[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(N(C)C)cc1 ZINC000841880484 594972654 /nfs/dbraw/zinc/97/26/54/594972654.db2.gz AMXIRAILOSGBFS-YJBOKZPZSA-N 1 0 345.491 1.503 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000841919060 594981607 /nfs/dbraw/zinc/98/16/07/594981607.db2.gz FYTDQULELFWRBM-UHFFFAOYSA-N 1 0 333.480 1.189 20 10 EDCDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000841989596 594996692 /nfs/dbraw/zinc/99/66/92/594996692.db2.gz ZVRPVVUPEQZNFP-CABZTGNLSA-N 1 0 342.237 1.952 20 10 EDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000842150389 595023888 /nfs/dbraw/zinc/02/38/88/595023888.db2.gz QOOBMVAAHZHCCD-CVEARBPZSA-N 1 0 344.459 1.071 20 10 EDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000842150391 595023893 /nfs/dbraw/zinc/02/38/93/595023893.db2.gz QOOBMVAAHZHCCD-HZPDHXFCSA-N 1 0 344.459 1.071 20 10 EDCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170068 595028460 /nfs/dbraw/zinc/02/84/60/595028460.db2.gz ADUOJYLXIUHHNH-MRXNPFEDSA-N 1 0 344.459 1.169 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000842208398 595039728 /nfs/dbraw/zinc/03/97/28/595039728.db2.gz TXPAQIWBHTXNNB-CVEARBPZSA-N 1 0 346.475 1.393 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000842223171 595043835 /nfs/dbraw/zinc/04/38/35/595043835.db2.gz DOBNRQJRAMNZSJ-UHFFFAOYSA-N 1 0 333.432 1.247 20 10 EDCDRO C[C@H]([NH3+])CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842230569 595046187 /nfs/dbraw/zinc/04/61/87/595046187.db2.gz VUIVVBXMLAMZAJ-ZDUSSCGKSA-N 1 0 333.432 1.517 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCCCCCC[NH3+])c1ccc(N(C)C)cc1 ZINC000843259419 595055277 /nfs/dbraw/zinc/05/52/77/595055277.db2.gz NRJAAHXGVIHKGK-AWEZNQCLSA-N 1 0 334.464 1.565 20 10 EDCDRO C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842254477 595056808 /nfs/dbraw/zinc/05/68/08/595056808.db2.gz JWYBXYPDIZNFDE-CYBMUJFWSA-N 1 0 333.432 1.517 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000842265701 595059671 /nfs/dbraw/zinc/05/96/71/595059671.db2.gz LZVQWNHGMMOHTI-WMLDXEAASA-N 1 0 346.475 1.215 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H]3C3CC3)CC2)cc1 ZINC000834383512 595107296 /nfs/dbraw/zinc/10/72/96/595107296.db2.gz UJXIZSOZTHGFFL-ICSRJNTNSA-N 1 0 345.487 1.662 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)CO[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000843506325 595135404 /nfs/dbraw/zinc/13/54/04/595135404.db2.gz LXOAQXMEDAAUGR-MAUKXSAKSA-N 1 0 347.459 1.406 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]CCN2CCCC2=O)c1O ZINC000846077240 595137450 /nfs/dbraw/zinc/13/74/50/595137450.db2.gz POVJJYLEXKPPKH-UHFFFAOYSA-N 1 0 343.221 1.875 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846156219 595160605 /nfs/dbraw/zinc/16/06/05/595160605.db2.gz CQHDOEFUZKUEBZ-RYUDHWBXSA-N 1 0 328.434 1.333 20 10 EDCDRO CC[NH+](CC)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706817 595173639 /nfs/dbraw/zinc/17/36/39/595173639.db2.gz GPGYOEBSJWCTDA-UHFFFAOYSA-N 1 0 341.402 1.759 20 10 EDCDRO COCC[NH2+]C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000846222599 595177907 /nfs/dbraw/zinc/17/79/07/595177907.db2.gz KHMUFFUOADUYNI-UHFFFAOYSA-N 1 0 348.491 1.069 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000842784739 595197456 /nfs/dbraw/zinc/19/74/56/595197456.db2.gz LILXBPWZIKUAJG-JKSUJKDBSA-N 1 0 341.477 1.241 20 10 EDCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]2CCCCN12 ZINC000835072263 595257362 /nfs/dbraw/zinc/25/73/62/595257362.db2.gz DXWHDTQWYIVQJD-NVXWUHKLSA-N 1 0 347.434 1.905 20 10 EDCDRO COc1c(O)c(CN2CC[NH2+]C[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000843121751 595291909 /nfs/dbraw/zinc/29/19/09/595291909.db2.gz KOAMCSIJFVHJAT-CYBMUJFWSA-N 1 0 347.375 1.189 20 10 EDCDRO CCN1CCN(C(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)CC1 ZINC000844219598 595305417 /nfs/dbraw/zinc/30/54/17/595305417.db2.gz LWUYJZMEHJVXBI-HNNXBMFYSA-N 1 0 330.476 1.451 20 10 EDCDRO CCc1cccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1O ZINC000848880411 595462000 /nfs/dbraw/zinc/46/20/00/595462000.db2.gz CWDDXWGSSFZBIN-UHFFFAOYSA-N 1 0 340.427 1.771 20 10 EDCDRO CCc1cccc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)c1O ZINC000848909883 595466402 /nfs/dbraw/zinc/46/64/02/595466402.db2.gz BZPUWZZWEPTSKK-UHFFFAOYSA-N 1 0 326.462 1.858 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852857547 595579109 /nfs/dbraw/zinc/57/91/09/595579109.db2.gz WYIDLRMOKGFJPM-UHFFFAOYSA-N 1 0 329.444 1.791 20 10 EDCDRO [NH3+]C[C@H]1CC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)=NO1 ZINC000852882503 595596935 /nfs/dbraw/zinc/59/69/35/595596935.db2.gz JBEUDFKPJZBIRA-UONOGXRCSA-N 1 0 333.388 1.003 20 10 EDCDRO CN1CCN(C(=O)C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858118151 595703268 /nfs/dbraw/zinc/70/32/68/595703268.db2.gz PYDVTNZLCIPKBF-UHFFFAOYSA-N 1 0 342.237 1.018 20 10 EDCDRO C[C@H]1CN(CC[NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858127139 595707101 /nfs/dbraw/zinc/70/71/01/595707101.db2.gz AUVBGNUNTRNRLT-NSHDSACASA-N 1 0 329.238 1.965 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCCN2CCO)cc1F ZINC000858170992 595719325 /nfs/dbraw/zinc/71/93/25/595719325.db2.gz RPKOBYOMXKDVPV-AWEZNQCLSA-N 1 0 327.419 1.967 20 10 EDCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000858223068 595734888 /nfs/dbraw/zinc/73/48/88/595734888.db2.gz WTHZSLGESONLOQ-GOSISDBHSA-N 1 0 336.432 1.106 20 10 EDCDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000858249497 595742462 /nfs/dbraw/zinc/74/24/62/595742462.db2.gz RGOBJAMSABBPJP-HDJSIYSDSA-N 1 0 332.404 1.939 20 10 EDCDRO CN(CC1CC1)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000113499074 595772071 /nfs/dbraw/zinc/77/20/71/595772071.db2.gz WHGSOWLSMNSBNF-UHFFFAOYSA-N 1 0 331.460 1.823 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc(N(C)C)n3C)C2)cc1 ZINC000850346254 595814124 /nfs/dbraw/zinc/81/41/24/595814124.db2.gz DGQLWRIHQQNJMJ-AWEZNQCLSA-N 1 0 329.448 1.863 20 10 EDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858586989 595835616 /nfs/dbraw/zinc/83/56/16/595835616.db2.gz MJOWVFITVZSDPI-CHWSQXEVSA-N 1 0 339.411 1.721 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000858619352 595846723 /nfs/dbraw/zinc/84/67/23/595846723.db2.gz NZRPSRJIDKPVOQ-MRXNPFEDSA-N 1 0 333.432 1.753 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)C[NH2+]C[C@H]3CCCO3)C2)cc1 ZINC000851639522 595864270 /nfs/dbraw/zinc/86/42/70/595864270.db2.gz HBFUKKYMUIDXDS-WMLDXEAASA-N 1 0 333.432 1.159 20 10 EDCDRO [NH3+]CC12CC(C1)CN2C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000851654900 595869469 /nfs/dbraw/zinc/86/94/69/595869469.db2.gz JGRGIWGDHULARC-UHFFFAOYSA-N 1 0 348.422 1.295 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000851664505 595874871 /nfs/dbraw/zinc/87/48/71/595874871.db2.gz CQSNEOLSVKFOGD-CABCVRRESA-N 1 0 332.448 1.573 20 10 EDCDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000851679006 595881816 /nfs/dbraw/zinc/88/18/16/595881816.db2.gz RCCUCOMQSRNRGN-UHFFFAOYSA-N 1 0 348.447 1.182 20 10 EDCDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851680815 595882960 /nfs/dbraw/zinc/88/29/60/595882960.db2.gz KIQNIPGMPLMSRV-GUYCJALGSA-N 1 0 332.448 1.279 20 10 EDCDRO COc1cccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O ZINC000856533923 596012943 /nfs/dbraw/zinc/01/29/43/596012943.db2.gz AJAWHXDMOMGZOT-JKSUJKDBSA-N 1 0 341.411 1.751 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854333273 596039784 /nfs/dbraw/zinc/03/97/84/596039784.db2.gz OOSPKDQFQUMSRK-NBUZRDOWSA-N 1 0 346.427 1.824 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861803840 596108364 /nfs/dbraw/zinc/10/83/64/596108364.db2.gz GKAGCVSNTIMKLM-DZGCQCFKSA-N 1 0 333.432 1.388 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1C[C@H](O)C13CCC3)cc2=O ZINC000852584961 596205926 /nfs/dbraw/zinc/20/59/26/596205926.db2.gz VMHMULZEADIWFO-OLZOCXBDSA-N 1 0 346.387 1.005 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]3COC[C@H]3C1)cc2=O ZINC000852669496 596224733 /nfs/dbraw/zinc/22/47/33/596224733.db2.gz STIIXLBRZREIIC-NWDGAFQWSA-N 1 0 346.387 1.080 20 10 EDCDRO CC[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(C)cc1O ZINC000866553810 596248044 /nfs/dbraw/zinc/24/80/44/596248044.db2.gz OAMRKPQUUOKMFH-QAPCUYQASA-N 1 0 334.416 1.369 20 10 EDCDRO Oc1cccc(Br)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000862401415 596321892 /nfs/dbraw/zinc/32/18/92/596321892.db2.gz DKUPAQSWAOBAEE-WDEREUQCSA-N 1 0 327.222 1.406 20 10 EDCDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000865819598 596696914 /nfs/dbraw/zinc/69/69/14/596696914.db2.gz XGZYZLOATYLAQF-UHFFFAOYSA-N 1 0 346.452 1.862 20 10 EDCDRO O=C1OC[C@]2(C[NH2+]Cc3ccc4ccccc4c3O)COCCN12 ZINC000872261135 596858946 /nfs/dbraw/zinc/85/89/46/596858946.db2.gz JKULCVPVZQUNBE-SFHVURJKSA-N 1 0 328.368 1.856 20 10 EDCDRO COc1ccc(C[NH2+]C[C@]2(CCO)CCOC2)cc1Cn1cccn1 ZINC000873078698 597182883 /nfs/dbraw/zinc/18/28/83/597182883.db2.gz RDFYBPHQOKPKEA-IBGZPJMESA-N 1 0 345.443 1.819 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1Cn1cccn1 ZINC000873131215 597206457 /nfs/dbraw/zinc/20/64/57/597206457.db2.gz PCWYSQQELHJSKA-GOSISDBHSA-N 1 0 328.416 1.698 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@H](OC)C[NH2+]3)CC2)cc1 ZINC000876708444 597297056 /nfs/dbraw/zinc/29/70/56/597297056.db2.gz QIWNFNWUPMLSAH-FUHWJXTLSA-N 1 0 333.432 1.111 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)c2cnc(C[NH3+])nc2)cc1F ZINC000876754433 597322634 /nfs/dbraw/zinc/32/26/34/597322634.db2.gz CQTOBROSKSNMMW-UHFFFAOYSA-N 1 0 331.395 1.851 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)C2)cc1 ZINC000876931922 597389352 /nfs/dbraw/zinc/38/93/52/597389352.db2.gz YTABBKNSYMJBEU-UGFHNGPFSA-N 1 0 339.386 1.478 20 10 EDCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000877533388 597532155 /nfs/dbraw/zinc/53/21/55/597532155.db2.gz PAZPHWWUVDLITA-GOSISDBHSA-N 1 0 341.455 1.908 20 10 EDCDRO O=C1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCCN1 ZINC000877582333 597538603 /nfs/dbraw/zinc/53/86/03/597538603.db2.gz QQUVQEJJOQFWBS-CYBMUJFWSA-N 1 0 339.386 1.560 20 10 EDCDRO O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881475248 597632009 /nfs/dbraw/zinc/63/20/09/597632009.db2.gz CJPHWBGKKFHBQK-GFCCVEGCSA-N 1 0 338.379 1.610 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)OC(C)(C)C)cc2)CC1 ZINC000883146187 597666822 /nfs/dbraw/zinc/66/68/22/597666822.db2.gz DFGWEDUKEISKNV-UHFFFAOYSA-N 1 0 333.432 1.396 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000883374060 597726841 /nfs/dbraw/zinc/72/68/41/597726841.db2.gz OVYJGTDMJDBOOO-CZIWCDLHSA-N 1 0 338.473 1.829 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000881854013 597755755 /nfs/dbraw/zinc/75/57/55/597755755.db2.gz SACSOYWMJRXMJO-UHFFFAOYSA-N 1 0 341.411 1.780 20 10 EDCDRO Cc1noc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000879130593 597829023 /nfs/dbraw/zinc/82/90/23/597829023.db2.gz MDLGPRVYYWZUPM-UHFFFAOYSA-N 1 0 330.392 1.452 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1 ZINC000880140116 597854350 /nfs/dbraw/zinc/85/43/50/597854350.db2.gz KNAGLHQZVORTSZ-INIZCTEOSA-N 1 0 333.476 1.804 20 10 EDCDRO COc1ccc(N2CC[NH+](CCc3ccnn3C)CC2)c(OC)c1 ZINC000879461083 597923372 /nfs/dbraw/zinc/92/33/72/597923372.db2.gz CCVCVJATOYNAMJ-UHFFFAOYSA-N 1 0 330.432 1.802 20 10 EDCDRO CC(C)CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664622 598015893 /nfs/dbraw/zinc/01/58/93/598015893.db2.gz YPLMJQREFYYVAN-UHFFFAOYSA-N 1 0 325.478 1.514 20 10 EDCDRO CCC(C)(C)[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838884 697212745 /nfs/dbraw/zinc/21/27/45/697212745.db2.gz MGXGVWYUZNFRQU-KRWDZBQOSA-N 1 0 333.476 1.852 20 10 EDCDRO CC(C)CN1C(=O)C(=CNCCC[NH2+]C(C)(C)C)C(=O)NC1=S ZINC000920979838 697501297 /nfs/dbraw/zinc/50/12/97/697501297.db2.gz JWNBIHKKWDOWIK-XFXZXTDPSA-N 1 0 340.493 1.137 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180892967 699043198 /nfs/dbraw/zinc/04/31/98/699043198.db2.gz YOLPTDMIPMDKMK-DRDHIDPGSA-N 1 0 334.416 1.584 20 10 EDCDRO COc1ccc(C[NH2+]C2(C)CCN(C(=O)c3cn[nH]n3)CC2)cc1C ZINC000940199217 700338750 /nfs/dbraw/zinc/33/87/50/700338750.db2.gz XDYDTHRIGZNQQM-UHFFFAOYSA-N 1 0 343.431 1.906 20 10 EDCDRO CN(C)c1ccc(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000702368326 709503533 /nfs/dbraw/zinc/50/35/33/709503533.db2.gz APKYYBMSIVFTRT-IBGZPJMESA-N 1 0 340.471 1.828 20 10 EDCDRO COCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034289291 709712549 /nfs/dbraw/zinc/71/25/49/709712549.db2.gz VIVZEDPWYMQQOE-AWEZNQCLSA-N 1 0 337.420 1.330 20 10 EDCDRO C[N@H+](CC(=O)NCCCN1CCCCCC1=O)Cc1ccccc1O ZINC000111235025 529833613 /nfs/dbraw/zinc/83/36/13/529833613.db2.gz VQLNSEKYTGPEAO-UHFFFAOYSA-N 1 0 347.459 1.733 20 10 EDCDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000264478274 249337646 /nfs/dbraw/zinc/33/76/46/249337646.db2.gz ZINZIVICUVPHNC-MAUKXSAKSA-N 1 0 333.476 1.946 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000375015896 250277232 /nfs/dbraw/zinc/27/72/32/250277232.db2.gz DAEINIOKNVRAIK-HNNXBMFYSA-N 1 0 336.457 1.941 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000374352850 250260804 /nfs/dbraw/zinc/26/08/04/250260804.db2.gz SQWZPDWPEFLAHC-QGZVFWFLSA-N 1 0 348.443 1.908 20 10 EDCDRO CN1CCN([C@H]2CCCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000377693648 250291341 /nfs/dbraw/zinc/29/13/41/250291341.db2.gz HKAQZUILYUNAFW-INIZCTEOSA-N 1 0 347.459 1.723 20 10 EDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1O ZINC000377716276 250291548 /nfs/dbraw/zinc/29/15/48/250291548.db2.gz BNUWMOWCTSRYHS-CKEIUWERSA-N 1 0 334.416 1.707 20 10 EDCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000377274400 250287375 /nfs/dbraw/zinc/28/73/75/250287375.db2.gz YXOAVQOYKBAFSH-APWZRJJASA-N 1 0 332.444 1.903 20 10 EDCDRO COc1cccc(C[N@@H+]2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1O ZINC000372417995 278010520 /nfs/dbraw/zinc/01/05/20/278010520.db2.gz ZSHDFPLDGXZGKP-RDJZCZTQSA-N 1 0 349.475 1.238 20 10 EDCDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419712849 447366976 /nfs/dbraw/zinc/36/69/76/447366976.db2.gz UPLVKHFYXFCRIY-LBPRGKRZSA-N 1 0 330.432 1.075 20 10 EDCDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccccc4O)C[C@@H]3C2)no1 ZINC000378500342 447436112 /nfs/dbraw/zinc/43/61/12/447436112.db2.gz UEJBXXBXCOSUDY-HUUCEWRRSA-N 1 0 328.416 1.901 20 10 EDCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000159435953 441813768 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C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000270547930 443475261 /nfs/dbraw/zinc/47/52/61/443475261.db2.gz AEKXENJMJHZYQF-QAPCUYQASA-N 1 0 332.492 1.593 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000271988314 443520316 /nfs/dbraw/zinc/52/03/16/443520316.db2.gz PONFYULFCLZKFM-CQSZACIVSA-N 1 0 345.321 1.674 20 10 EDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccccc2O)CC1=O ZINC000265067396 443522602 /nfs/dbraw/zinc/52/26/02/443522602.db2.gz NAPLXVLMTDDBSY-JKSUJKDBSA-N 1 0 345.443 1.341 20 10 EDCDRO CCCN(CCC)c1ccc(C[NH2+]CCS(=O)(=O)NC)cc1 ZINC000276012183 443648416 /nfs/dbraw/zinc/64/84/16/443648416.db2.gz MFNKMEUVSJTZBF-UHFFFAOYSA-N 1 0 327.494 1.952 20 10 EDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c(O)c1 ZINC000284907559 443793411 /nfs/dbraw/zinc/79/34/11/443793411.db2.gz CMHFLQWAFULDGT-CYBMUJFWSA-N 1 0 329.466 1.492 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000276755792 443814311 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COC(=O)C[C@@]1([NH2+]Cc2cc(OC)c(OC)cc2O)CCOC1 ZINC000768535826 580215642 /nfs/dbraw/zinc/21/56/42/580215642.db2.gz RDFLFTJJARMGCD-INIZCTEOSA-N 1 0 325.361 1.221 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000775372426 580389457 /nfs/dbraw/zinc/38/94/57/580389457.db2.gz ACAKFTVUILMTJF-LBPRGKRZSA-N 1 0 347.415 1.916 20 10 EDCDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000780954309 580538661 /nfs/dbraw/zinc/53/86/61/580538661.db2.gz DBYVGXRDUSDBNO-AWEZNQCLSA-N 1 0 336.432 1.979 20 10 EDCDRO CC[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(C)cc1O ZINC000794811948 580906429 /nfs/dbraw/zinc/90/64/29/580906429.db2.gz UYETYSJGGJNTLH-OAHLLOKOSA-N 1 0 342.461 1.403 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)CC[NH3+])CC2)c(OC)c1 ZINC000892055669 590775287 /nfs/dbraw/zinc/77/52/87/590775287.db2.gz LPYHRBOFLAVGQD-ZDUSSCGKSA-N 1 0 336.436 1.273 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000840931366 590968450 /nfs/dbraw/zinc/96/84/50/590968450.db2.gz FQRLSTYNDGCUPS-UHFFFAOYSA-N 1 0 339.505 1.870 20 10 EDCDRO CN(Cc1cnc2n1CCOC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000893574335 590976749 /nfs/dbraw/zinc/97/67/49/590976749.db2.gz WMVUQUXGMQJPKN-UHFFFAOYSA-N 1 0 330.432 1.990 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2cn[nH]n2)[NH+](C)C)cc1 ZINC000891246629 591016454 /nfs/dbraw/zinc/01/64/54/591016454.db2.gz CPKHRWWZXNWLAT-INIZCTEOSA-N 1 0 330.436 1.222 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCNC(=O)CC2)[NH+](C)C)cc1 ZINC000891249822 591018365 /nfs/dbraw/zinc/01/83/65/591018365.db2.gz SZYZHMQRQGVZER-WBVHZDCISA-N 1 0 346.475 1.388 20 10 EDCDRO CN(C)C(=O)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891250196 591019335 /nfs/dbraw/zinc/01/93/35/591019335.db2.gz ZUTSQMTUBCTGHC-INIZCTEOSA-N 1 0 346.475 1.340 20 10 EDCDRO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000891252983 591020952 /nfs/dbraw/zinc/02/09/52/591020952.db2.gz OWKZMJWYDVRLTD-MRXNPFEDSA-N 1 0 343.431 1.584 20 10 EDCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC[N@H+](C)C1 ZINC000840959142 591041988 /nfs/dbraw/zinc/04/19/88/591041988.db2.gz UTAQOGNHRDRYCI-LBPRGKRZSA-N 1 0 342.823 1.591 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)ccc21 ZINC000892491743 591047835 /nfs/dbraw/zinc/04/78/35/591047835.db2.gz GYSKVSKWQQIPIK-FUHWJXTLSA-N 1 0 328.460 1.915 20 10 EDCDRO C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@@H]1CN(C)CCO1 ZINC000893764604 591087220 /nfs/dbraw/zinc/08/72/20/591087220.db2.gz RWXKJLBSOCLBMR-MFKMUULPSA-N 1 0 327.812 1.564 20 10 EDCDRO C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893979128 591154654 /nfs/dbraw/zinc/15/46/54/591154654.db2.gz YNIKIXGWLKEWCN-UHFFFAOYSA-N 1 0 341.402 1.560 20 10 EDCDRO COCC(=O)NC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891721255 591198104 /nfs/dbraw/zinc/19/81/04/591198104.db2.gz UQJITPWTVIIYGK-UHFFFAOYSA-N 1 0 338.404 1.136 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2)cc1 ZINC000895651385 591243858 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20 10 EDCDRO C[C@@H](O)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899099093 591688793 /nfs/dbraw/zinc/68/87/93/591688793.db2.gz VIKOXDZSNGAFEY-RDTXWAMCSA-N 1 0 348.491 1.910 20 10 EDCDRO C[C@@H](O)CN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899099091 591688875 /nfs/dbraw/zinc/68/88/75/591688875.db2.gz VIKOXDZSNGAFEY-KDOFPFPSSA-N 1 0 348.491 1.910 20 10 EDCDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCOCC1 ZINC000895318156 591711122 /nfs/dbraw/zinc/71/11/22/591711122.db2.gz BWAUAVRUGZHXJR-CQSZACIVSA-N 1 0 325.405 1.941 20 10 EDCDRO Cn1cc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000899552407 591846430 /nfs/dbraw/zinc/84/64/30/591846430.db2.gz YFFMICODMVWNGW-UHFFFAOYSA-N 1 0 344.488 1.659 20 10 EDCDRO O=C1OCCCN1C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000902594268 592016249 /nfs/dbraw/zinc/01/62/49/592016249.db2.gz QCBCGURFOHBLOV-INIZCTEOSA-N 1 0 348.399 1.625 20 10 EDCDRO c1c(C2CC[NH2+]CC2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900602078 592065797 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C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000907272667 592567576 /nfs/dbraw/zinc/56/75/76/592567576.db2.gz HJSOGMWHNYXXLD-LBPRGKRZSA-N 1 0 334.416 1.256 20 10 EDCDRO O=C(NCc1ccc(O)cc1O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000910950825 592903865 /nfs/dbraw/zinc/90/38/65/592903865.db2.gz JSDJABSXWHXUPW-LJQANCHMSA-N 1 0 342.395 1.351 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000911225037 592968995 /nfs/dbraw/zinc/96/89/95/592968995.db2.gz ANCZXSYFVMZJJG-DZKIICNBSA-N 1 0 346.475 1.373 20 10 EDCDRO COc1ccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000911667325 592973909 /nfs/dbraw/zinc/97/39/09/592973909.db2.gz PWXZFTJMHBGGHP-KRWDZBQOSA-N 1 0 342.443 1.905 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNCc3cn(C)cn3)cc2F)CC1 ZINC000808387965 593256377 /nfs/dbraw/zinc/25/63/77/593256377.db2.gz ZKGQVNVCKJPPFU-UHFFFAOYSA-N 1 0 331.439 1.991 20 10 EDCDRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)C1CC1 ZINC000809785495 593358595 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EDCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966376 593730965 /nfs/dbraw/zinc/73/09/65/593730965.db2.gz JTVQTXMGATWBJS-NFAWXSAZSA-N 1 0 326.412 1.536 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COC1CCOCC1 ZINC000819094766 593738636 /nfs/dbraw/zinc/73/86/36/593738636.db2.gz LRPVQQDSMTWPJJ-GOSISDBHSA-N 1 0 332.444 1.709 20 10 EDCDRO CCC1(C[NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000819138225 593740897 /nfs/dbraw/zinc/74/08/97/593740897.db2.gz ISZHQONRRIHSHR-SFHVURJKSA-N 1 0 347.503 1.958 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[NH+]3CCC3)C2)cc1 ZINC000824686550 594056050 /nfs/dbraw/zinc/05/60/50/594056050.db2.gz NFMMIQPPOAEEGI-HNNXBMFYSA-N 1 0 332.448 1.526 20 10 EDCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1Cl ZINC000824849737 594083796 /nfs/dbraw/zinc/08/37/96/594083796.db2.gz HEYVRBUEYZKWQK-AWEZNQCLSA-N 1 0 328.840 1.479 20 10 EDCDRO C[C@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+](C)C ZINC000823518830 594213181 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CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CSCCS2)cc1 ZINC000832265885 594738957 /nfs/dbraw/zinc/73/89/57/594738957.db2.gz AXKFAOSQITVUAI-UONOGXRCSA-N 1 0 325.503 1.717 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCOC2CCOCC2)cc1 ZINC000832267577 594739008 /nfs/dbraw/zinc/73/90/08/594739008.db2.gz WHUBQKGRSLOXIO-KRWDZBQOSA-N 1 0 335.448 1.454 20 10 EDCDRO CCN(CC)C(=O)CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266332 594739126 /nfs/dbraw/zinc/73/91/26/594739126.db2.gz DTKODXMJVRRCRS-MRXNPFEDSA-N 1 0 334.464 1.517 20 10 EDCDRO CC(=O)c1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n(C)c1 ZINC000832279308 594739988 /nfs/dbraw/zinc/73/99/88/594739988.db2.gz ITBDCVBSFOACNK-MRXNPFEDSA-N 1 0 328.416 1.724 20 10 EDCDRO Cc1cc(COCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)on1 ZINC000832286370 594740407 /nfs/dbraw/zinc/74/04/07/594740407.db2.gz YRDITQUVQWGTLS-MRXNPFEDSA-N 1 0 332.404 1.382 20 10 EDCDRO COCCNC(=O)C1([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000840825405 594818893 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C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841975448 594993277 /nfs/dbraw/zinc/99/32/77/594993277.db2.gz GEXHUYZWTFZIFX-QAPCUYQASA-N 1 0 346.475 1.663 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842011813 595002301 /nfs/dbraw/zinc/00/23/01/595002301.db2.gz WWDKJQHZFNZEAP-IAGOWNOFSA-N 1 0 346.475 1.792 20 10 EDCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149621 595023546 /nfs/dbraw/zinc/02/35/46/595023546.db2.gz CMIQHRISKDJSAW-INIZCTEOSA-N 1 0 346.475 1.319 20 10 EDCDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842151003 595023884 /nfs/dbraw/zinc/02/38/84/595023884.db2.gz ZTYDFBLPRCVRRZ-UHFFFAOYSA-N 1 0 346.475 1.129 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000842181469 595030526 /nfs/dbraw/zinc/03/05/26/595030526.db2.gz YGRVRCXWTWYBGS-HZPDHXFCSA-N 1 0 348.491 1.658 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203521 595037623 /nfs/dbraw/zinc/03/76/23/595037623.db2.gz UBVPQYMGYITDCW-UONOGXRCSA-N 1 0 332.448 1.046 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000842206702 595039017 /nfs/dbraw/zinc/03/90/17/595039017.db2.gz IXYVDUUZTQOUOS-QGZVFWFLSA-N 1 0 346.475 1.359 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000842208403 595039336 /nfs/dbraw/zinc/03/93/36/595039336.db2.gz TXPAQIWBHTXNNB-JKSUJKDBSA-N 1 0 346.475 1.393 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000842227295 595045094 /nfs/dbraw/zinc/04/50/94/595045094.db2.gz ODQMCELFUORQEX-HNNXBMFYSA-N 1 0 333.432 1.389 20 10 EDCDRO C[C@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842249423 595054298 /nfs/dbraw/zinc/05/42/98/595054298.db2.gz OWIBHRDKQBTVMF-CQSZACIVSA-N 1 0 347.459 1.765 20 10 EDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(CCC)Cc1ccccc1O ZINC000842267499 595061120 /nfs/dbraw/zinc/06/11/20/595061120.db2.gz PFBCFOZJHLMKMR-OAHLLOKOSA-N 1 0 335.448 1.765 20 10 EDCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000843308019 595069851 /nfs/dbraw/zinc/06/98/51/595069851.db2.gz CVBMRKHGLZRCAH-AWEZNQCLSA-N 1 0 347.463 1.014 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]CC[C@@]2(O)CCOC2)c1O ZINC000846050730 595130461 /nfs/dbraw/zinc/13/04/61/595130461.db2.gz XWOLJBNIDUGUBQ-CQSZACIVSA-N 1 0 346.221 1.794 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CO[C@@H](C)C3)CC2)cc1 ZINC000842659908 595162437 /nfs/dbraw/zinc/16/24/37/595162437.db2.gz FGEYQHYQXLMKET-DLBZAZTESA-N 1 0 333.476 1.974 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c1O ZINC000846167665 595163540 /nfs/dbraw/zinc/16/35/40/595163540.db2.gz MKPLXUYVJQFFCH-CYBMUJFWSA-N 1 0 325.405 1.610 20 10 EDCDRO CO[C@@H](CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000842784997 595197230 /nfs/dbraw/zinc/19/72/30/595197230.db2.gz JWRXGEUHGJQUDJ-CVEARBPZSA-N 1 0 341.477 1.097 20 10 EDCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000835026407 595247752 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C[NH2+]C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844217144 595304669 /nfs/dbraw/zinc/30/46/69/595304669.db2.gz DYKPQTXONJZGMF-KRWDZBQOSA-N 1 0 332.492 1.642 20 10 EDCDRO C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C[NH3+] ZINC000844218423 595305010 /nfs/dbraw/zinc/30/50/10/595305010.db2.gz ACGZQSHLYZYHGA-MAUKXSAKSA-N 1 0 332.492 1.770 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)cc1 ZINC000844218469 595305048 /nfs/dbraw/zinc/30/50/48/595305048.db2.gz ATOFIGBUTQNKQZ-IYBDPMFKSA-N 1 0 346.475 1.026 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000844220447 595305795 /nfs/dbraw/zinc/30/57/95/595305795.db2.gz XAVWWILGOBARIM-MAUKXSAKSA-N 1 0 346.475 1.013 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN[C@@](C)(C[NH3+])C3CC3)CC2)cc1 ZINC000844220735 595306211 /nfs/dbraw/zinc/30/62/11/595306211.db2.gz MBAZHZIZZKEUCB-IBGZPJMESA-N 1 0 346.475 1.061 20 10 EDCDRO CC[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000844223033 595307372 /nfs/dbraw/zinc/30/73/72/595307372.db2.gz PIHSOJZDHLWFPR-WMZOPIPTSA-N 1 0 332.492 1.770 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844223322 595307853 /nfs/dbraw/zinc/30/78/53/595307853.db2.gz YJLUMQLCLAXLLS-CVEARBPZSA-N 1 0 346.475 1.013 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000844362898 595330344 /nfs/dbraw/zinc/33/03/44/595330344.db2.gz LZNZEPQDMNDSMD-UHFFFAOYSA-N 1 0 331.460 1.606 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000844398720 595336870 /nfs/dbraw/zinc/33/68/70/595336870.db2.gz AGBRVBVNXAIESK-YJBOKZPZSA-N 1 0 349.475 1.747 20 10 EDCDRO C[NH2+][C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848415600 595375422 /nfs/dbraw/zinc/37/54/22/595375422.db2.gz VQYYMPIMBVETMX-RYUDHWBXSA-N 1 0 327.375 1.981 20 10 EDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848548991 595404470 /nfs/dbraw/zinc/40/44/70/595404470.db2.gz NBFSUVMPKFCWMP-WCBMZHEXSA-N 1 0 334.210 1.821 20 10 EDCDRO COC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848548852 595404583 /nfs/dbraw/zinc/40/45/83/595404583.db2.gz GQELSLUPAIDYJA-SCZZXKLOSA-N 1 0 334.210 1.821 20 10 EDCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844968700 595421100 /nfs/dbraw/zinc/42/11/00/595421100.db2.gz YNUWWLRSFNOKMA-ZDUSSCGKSA-N 1 0 326.828 1.091 20 10 EDCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845004662 595425732 /nfs/dbraw/zinc/42/57/32/595425732.db2.gz RZPHUMLEVVIDTE-ZDUSSCGKSA-N 1 0 327.812 1.566 20 10 EDCDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849017123 595474846 /nfs/dbraw/zinc/47/48/46/595474846.db2.gz FUIUXUJPCUOCLV-DZGCQCFKSA-N 1 0 331.464 1.801 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561193 595569165 /nfs/dbraw/zinc/56/91/65/595569165.db2.gz HRAHDYUGYRPBRH-DLBZAZTESA-N 1 0 342.443 1.820 20 10 EDCDRO CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000852912917 595611845 /nfs/dbraw/zinc/61/18/45/595611845.db2.gz HXFCMVONYPQUMV-SFHVURJKSA-N 1 0 330.476 1.438 20 10 EDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000852916872 595613456 /nfs/dbraw/zinc/61/34/56/595613456.db2.gz RVXTZCDASBYDOG-UHFFFAOYSA-N 1 0 331.460 1.926 20 10 EDCDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858278360 595750600 /nfs/dbraw/zinc/75/06/00/595750600.db2.gz WVZAXYRBQBDHIC-MRXNPFEDSA-N 1 0 348.491 1.773 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000858367801 595776236 /nfs/dbraw/zinc/77/62/36/595776236.db2.gz WXJUOKNHOMXJRB-HNNXBMFYSA-N 1 0 334.464 1.526 20 10 EDCDRO COc1cc(C[NH2+]CCCn2cc(CO)nn2)c(O)c(C(C)(C)C)c1 ZINC000850303432 595802430 /nfs/dbraw/zinc/80/24/30/595802430.db2.gz UYZWTNPZOCTABT-UHFFFAOYSA-N 1 0 348.447 1.962 20 10 EDCDRO OC[C@@]1(C[NH2+]Cc2ccccc2O)COCCN1Cc1ccccc1 ZINC000850396627 595827385 /nfs/dbraw/zinc/82/73/85/595827385.db2.gz ZMHAINUOGPWDNO-FQEVSTJZSA-N 1 0 342.439 1.745 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)C[NH2+]C)cc1 ZINC000851692172 595887354 /nfs/dbraw/zinc/88/73/54/595887354.db2.gz RXHRBXSXJWTHGP-CQSZACIVSA-N 1 0 334.464 1.215 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)OCCF)CC2)cc1 ZINC000858884486 595914357 /nfs/dbraw/zinc/91/43/57/595914357.db2.gz USARCHCWHZWDCB-UHFFFAOYSA-N 1 0 339.411 1.903 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000854216934 596005627 /nfs/dbraw/zinc/00/56/27/596005627.db2.gz HLXXEIZFYGLBNT-KFKAGJAMSA-N 1 0 331.460 1.631 20 10 EDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230410 596008698 /nfs/dbraw/zinc/00/86/98/596008698.db2.gz OXRTXIPZDVGDKE-WBVHZDCISA-N 1 0 333.476 1.504 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861681272 596066763 /nfs/dbraw/zinc/06/67/63/596066763.db2.gz OFHZOOFZKMBWSI-KRWDZBQOSA-N 1 0 346.475 1.807 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861806274 596108961 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Oc1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCOCC3)[C@@H]1O)OCO2 ZINC000282843847 443448466 /nfs/dbraw/zinc/44/84/66/443448466.db2.gz OZDUOVJQHWXDRV-SJKOYZFVSA-N 1 0 335.400 1.778 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccnn3C)CC2)cc1 ZINC000278858158 443464290 /nfs/dbraw/zinc/46/42/90/443464290.db2.gz WCDOUOMHFWSRBY-INIZCTEOSA-N 1 0 343.475 1.902 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273581615 443582379 /nfs/dbraw/zinc/58/23/79/443582379.db2.gz MWZNBHADDSNVHG-PBHICJAKSA-N 1 0 349.475 1.994 20 10 EDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275151124 443622233 /nfs/dbraw/zinc/62/22/33/443622233.db2.gz SOJJAWFFMFCBPT-LLVKDONJSA-N 1 0 332.322 1.901 20 10 EDCDRO CCOC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000274668649 443609197 /nfs/dbraw/zinc/60/91/97/443609197.db2.gz RTPLPLXZQNXLCP-CRAIPNDOSA-N 1 0 337.416 1.687 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C)cc2=O ZINC000276420067 443701260 /nfs/dbraw/zinc/70/12/60/443701260.db2.gz IJXWGKJTJLZEOG-PTEHBNRSSA-N 1 0 348.403 1.345 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000298666936 443833279 /nfs/dbraw/zinc/83/32/79/443833279.db2.gz MBFIGOLTDYULDQ-MRXNPFEDSA-N 1 0 345.443 1.437 20 10 EDCDRO C[N@H+](C[C@@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428374 444140311 /nfs/dbraw/zinc/14/03/11/444140311.db2.gz XFNZADVUHBPGCT-MSOLQXFVSA-N 1 0 334.460 1.828 20 10 EDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000296790822 444254356 /nfs/dbraw/zinc/25/43/56/444254356.db2.gz FQTZVYGSGUEMET-LBPRGKRZSA-N 1 0 347.419 1.609 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCn4ccnc43)CC2)cc1 ZINC000297960675 444370152 /nfs/dbraw/zinc/37/01/52/444370152.db2.gz ZHROMMIUUHLTIY-SFHVURJKSA-N 1 0 341.459 1.748 20 10 EDCDRO CN(C)c1ccc(C2=CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)cc1 ZINC000364997221 445972904 /nfs/dbraw/zinc/97/29/04/445972904.db2.gz WUJQMTNVJAWJBL-IBGZPJMESA-N 1 0 331.460 1.145 20 10 EDCDRO COc1ccc(O)c(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)c1 ZINC000366305437 446141557 /nfs/dbraw/zinc/14/15/57/446141557.db2.gz JDULZCDVVDFIHF-UHFFFAOYSA-N 1 0 325.372 1.881 20 10 EDCDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000371093129 446624397 /nfs/dbraw/zinc/62/43/97/446624397.db2.gz IWWVJUYRFBCIMM-RDTXWAMCSA-N 1 0 329.400 1.432 20 10 EDCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(F)ccc1O ZINC000375846810 447095782 /nfs/dbraw/zinc/09/57/82/447095782.db2.gz KELMHHJJDAZOJO-WVQJBOLRSA-N 1 0 335.379 1.902 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392255 579450666 /nfs/dbraw/zinc/45/06/66/579450666.db2.gz OOIWRGZCNIVXFV-DYVFJYSZSA-N 1 0 327.432 1.770 20 10 EDCDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000759689521 580012126 /nfs/dbraw/zinc/01/21/26/580012126.db2.gz NCASYIYNVPEGIF-UHFFFAOYSA-N 1 0 340.489 1.780 20 10 EDCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000731843024 578681140 /nfs/dbraw/zinc/68/11/40/578681140.db2.gz NRZXUIKEJUHKJS-AWEZNQCLSA-N 1 0 331.368 1.993 20 10 EDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000777218573 580437496 /nfs/dbraw/zinc/43/74/96/580437496.db2.gz BRVGCMWRIYCJQZ-DZGCQCFKSA-N 1 0 345.823 1.964 20 10 EDCDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746318058 579586890 /nfs/dbraw/zinc/58/68/90/579586890.db2.gz ZSCVJKBVUULAKO-MRXNPFEDSA-N 1 0 337.439 1.776 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@@H]3C)CC2)cc1 ZINC000755167646 579921842 /nfs/dbraw/zinc/92/18/42/579921842.db2.gz DUOZUFVNFUVINT-BEFAXECRSA-N 1 0 347.459 1.501 20 10 EDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)nn1 ZINC000762795293 580083681 /nfs/dbraw/zinc/08/36/81/580083681.db2.gz SWYDUJWBLFUIFN-GFCCVEGCSA-N 1 0 346.387 1.616 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H](CCO)C2CCOCC2)cc1OC ZINC000764680137 580126344 /nfs/dbraw/zinc/12/63/44/580126344.db2.gz ZEIOKYXYCRWWMJ-AWEZNQCLSA-N 1 0 325.405 1.677 20 10 EDCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000765253774 580138517 /nfs/dbraw/zinc/13/85/17/580138517.db2.gz MJGSXQVWEHIJHK-AEFFLSMTSA-N 1 0 331.460 1.903 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)[C@@H](O)CO2 ZINC000768463676 580213833 /nfs/dbraw/zinc/21/38/33/580213833.db2.gz VOPMXFJWEWZVAP-WBMJQRKESA-N 1 0 330.388 1.322 20 10 EDCDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000773106133 580327215 /nfs/dbraw/zinc/32/72/15/580327215.db2.gz IQVZSNZLXQJOKP-UONOGXRCSA-N 1 0 326.462 1.607 20 10 EDCDRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773369176 580335454 /nfs/dbraw/zinc/33/54/54/580335454.db2.gz BMKYZBZROCAZDI-JKSUJKDBSA-N 1 0 347.507 1.749 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(F)cn3)CC1)[C@H](O)CO2 ZINC000774646543 580368734 /nfs/dbraw/zinc/36/87/34/580368734.db2.gz NAUCGUWRUJYIQO-MRXNPFEDSA-N 1 0 345.374 1.674 20 10 EDCDRO COc1c(O)c(CN2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000774882891 580376461 /nfs/dbraw/zinc/37/64/61/580376461.db2.gz DZNCLZWNZUZLIF-UHFFFAOYSA-N 1 0 339.392 1.198 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCN(CC(F)F)CC3)cc2)CC1 ZINC000775663855 580396624 /nfs/dbraw/zinc/39/66/24/580396624.db2.gz FMQGWDHWDMLKEH-UHFFFAOYSA-N 1 0 338.446 1.821 20 10 EDCDRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779483340 580486975 /nfs/dbraw/zinc/48/69/75/580486975.db2.gz FWJZIGAWMTUCCY-ALCCZGGFSA-N 1 0 333.432 1.207 20 10 EDCDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000781908721 580559975 /nfs/dbraw/zinc/55/99/75/580559975.db2.gz LJQSZJMOWYWEHW-GFCCVEGCSA-N 1 0 343.265 1.962 20 10 EDCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000782897420 580587937 /nfs/dbraw/zinc/58/79/37/580587937.db2.gz GLNAFDUERVFMOP-UGSOOPFHSA-N 1 0 348.443 1.503 20 10 EDCDRO COC(=O)CC1([NH2+]Cc2cc(C)ccc2O)CCS(=O)(=O)CC1 ZINC000784669982 580625916 /nfs/dbraw/zinc/62/59/16/580625916.db2.gz HEMXWHHUVMFGDG-UHFFFAOYSA-N 1 0 341.429 1.301 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000794926601 580908308 /nfs/dbraw/zinc/90/83/08/580908308.db2.gz CNEOEYDLLRBDHT-WMZOPIPTSA-N 1 0 330.476 1.347 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000795649596 580932780 /nfs/dbraw/zinc/93/27/80/580932780.db2.gz FAODTWUNGZHPNN-AWEZNQCLSA-N 1 0 342.461 1.565 20 10 EDCDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C[C@H](C)O2 ZINC000797418378 580975292 /nfs/dbraw/zinc/97/52/92/580975292.db2.gz RZZCQGYPNKNSDE-PBXUPMNYSA-N 1 0 349.427 1.976 20 10 EDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1O ZINC000800309043 581050230 /nfs/dbraw/zinc/05/02/30/581050230.db2.gz BVEPTMGIQIXFEB-GXTWGEPZSA-N 1 0 342.461 1.598 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1C ZINC000800309822 581050344 /nfs/dbraw/zinc/05/03/44/581050344.db2.gz SBWJZHYQCGRFEX-UKRRQHHQSA-N 1 0 326.462 1.817 20 10 EDCDRO CCc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000893607912 591005800 /nfs/dbraw/zinc/00/58/00/591005800.db2.gz MRTSRGFYZSLAQP-UHFFFAOYSA-N 1 0 328.416 1.919 20 10 EDCDRO Cc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1C ZINC000891245938 591015472 /nfs/dbraw/zinc/01/54/72/591015472.db2.gz KKOIIGZFVLSSLT-MRXNPFEDSA-N 1 0 329.448 1.827 20 10 EDCDRO COC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245912 591015859 /nfs/dbraw/zinc/01/58/59/591015859.db2.gz KELXPODTCCVXQB-BBWFWOEESA-N 1 0 347.459 1.671 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3n(n2)CCC3)[NH+](C)C)cc1 ZINC000891248448 591017282 /nfs/dbraw/zinc/01/72/82/591017282.db2.gz MTSRVQNNQDDEJI-SFHVURJKSA-N 1 0 341.459 1.928 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC000891253382 591021060 /nfs/dbraw/zinc/02/10/60/591021060.db2.gz RZIUFRQACGBUTR-KRWDZBQOSA-N 1 0 329.448 1.448 20 10 EDCDRO CCCNC(=O)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254524 591021778 /nfs/dbraw/zinc/02/17/78/591021778.db2.gz YVHVTVZQXWNAJH-KRWDZBQOSA-N 1 0 348.491 1.778 20 10 EDCDRO COC(=O)N(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256244 591022330 /nfs/dbraw/zinc/02/23/30/591022330.db2.gz WEUKFDJXXKSZQN-HNNXBMFYSA-N 1 0 336.436 1.170 20 10 EDCDRO COc1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(O)c1OC ZINC000893859467 591118870 /nfs/dbraw/zinc/11/88/70/591118870.db2.gz NVBCZJGSAALHRG-ZDUSSCGKSA-N 1 0 338.448 1.686 20 10 EDCDRO COc1cc(C)cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000894092994 591190694 /nfs/dbraw/zinc/19/06/94/591190694.db2.gz ASRHWNDMCLDAJA-UHFFFAOYSA-N 1 0 342.461 1.565 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000894253133 591248838 /nfs/dbraw/zinc/24/88/38/591248838.db2.gz XKJOWQWXXLORCN-NSHDSACASA-N 1 0 332.322 1.962 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c(O)c1OC ZINC000894526811 591333188 /nfs/dbraw/zinc/33/31/88/591333188.db2.gz HPQKXUNMJCQCIZ-CXAGYDPISA-N 1 0 331.368 1.994 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1OC ZINC000894609515 591360733 /nfs/dbraw/zinc/36/07/33/591360733.db2.gz YLRLRKIDPGLSAB-UHFFFAOYSA-N 1 0 334.376 1.544 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1O ZINC000894671768 591382711 /nfs/dbraw/zinc/38/27/11/591382711.db2.gz CJZKDIMGIDZGSV-JSGCOSHPSA-N 1 0 342.461 1.517 20 10 EDCDRO COc1c(N)ncnc1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000897522713 591523267 /nfs/dbraw/zinc/52/32/67/591523267.db2.gz NTJCAQGZOZOESE-AWEZNQCLSA-N 1 0 330.436 1.848 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c1O ZINC000896685592 591575039 /nfs/dbraw/zinc/57/50/39/591575039.db2.gz LGEDHAFCKGMAMO-AWEZNQCLSA-N 1 0 349.836 1.348 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2(CO)CC2)[NH+](C)C)cc1 ZINC000899103605 591683284 /nfs/dbraw/zinc/68/32/84/591683284.db2.gz NGPRMMNJKSKVDF-QGZVFWFLSA-N 1 0 348.491 1.769 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](O)C2)[NH+](C)C)cc1 ZINC000899102964 591683596 /nfs/dbraw/zinc/68/35/96/591683596.db2.gz TUXUZEAWZKMDRF-IRXDYDNUSA-N 1 0 334.464 1.522 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)CC2CC2)[NH+](C)C)cc1 ZINC000899104680 591684319 /nfs/dbraw/zinc/68/43/19/591684319.db2.gz SBBIHSVSIHCWDH-WMZOPIPTSA-N 1 0 348.491 1.816 20 10 EDCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)N2CCCC2)c1O ZINC000897826425 591684813 /nfs/dbraw/zinc/68/48/13/591684813.db2.gz JAMABFNLBSIUPO-UHFFFAOYSA-N 1 0 328.434 1.224 20 10 EDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C(=O)[O-])C1 ZINC000902037297 591900326 /nfs/dbraw/zinc/90/03/26/591900326.db2.gz ZSCUETDSRNWHQY-MSOLQXFVSA-N 1 0 347.459 1.502 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)CN(C3CC3)C2=O)[NH+](C)C)cc1 ZINC000900185734 591933179 /nfs/dbraw/zinc/93/31/79/591933179.db2.gz RIVNXTAINODXLO-MRXNPFEDSA-N 1 0 330.432 1.782 20 10 EDCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 ZINC000902583355 592019451 /nfs/dbraw/zinc/01/94/51/592019451.db2.gz CEPJPNJYOIIXES-WBMJQRKESA-N 1 0 345.399 1.964 20 10 EDCDRO COc1ccc(O)c(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)c1 ZINC000901134065 592251516 /nfs/dbraw/zinc/25/15/16/592251516.db2.gz XGKKGSDAYVJXBX-UHFFFAOYSA-N 1 0 348.443 1.908 20 10 EDCDRO COc1cc(N(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc(OC)c1OC ZINC000903733991 592297925 /nfs/dbraw/zinc/29/79/25/592297925.db2.gz ODSFSOGETDNARJ-KBXCAEBGSA-N 1 0 336.432 1.917 20 10 EDCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC000903980765 592401710 /nfs/dbraw/zinc/40/17/10/592401710.db2.gz ZIMXEAJMWTZNRW-HUUCEWRRSA-N 1 0 329.366 1.845 20 10 EDCDRO O=S(=O)(CCC[NH+]1CCCC1)NCc1cccc(Cl)c1O ZINC000908328526 592462642 /nfs/dbraw/zinc/46/26/42/592462642.db2.gz NBPUYLNNBQCMCL-UHFFFAOYSA-N 1 0 332.853 1.951 20 10 EDCDRO CC(C)N(C)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908457834 592507577 /nfs/dbraw/zinc/50/75/77/592507577.db2.gz MHNZUVIWEACLOB-INIZCTEOSA-N 1 0 342.509 1.530 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1(O)CCCC1 ZINC000905382877 592513566 /nfs/dbraw/zinc/51/35/66/592513566.db2.gz RZCWHXSHUGAGNH-GOSISDBHSA-N 1 0 334.460 1.403 20 10 EDCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)N(C)C)cc1 ZINC000905704343 592616920 /nfs/dbraw/zinc/61/69/20/592616920.db2.gz NGMNOJOJUQXNCI-HSALFYBXSA-N 1 0 349.519 1.857 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000910557512 592877398 /nfs/dbraw/zinc/87/73/98/592877398.db2.gz DAVMFXNHABKDOP-YJLNNSPDSA-N 1 0 333.476 1.563 20 10 EDCDRO C[C@H]([NH3+])C1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCOCC1 ZINC000911668189 592974644 /nfs/dbraw/zinc/97/46/44/592974644.db2.gz VXQIRYJROWJZFT-BBRMVZONSA-N 1 0 334.464 1.013 20 10 EDCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000807273366 593158356 /nfs/dbraw/zinc/15/83/56/593158356.db2.gz UWEYGWKKWPKACA-UHFFFAOYSA-N 1 0 344.459 1.562 20 10 EDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807678396 593190195 /nfs/dbraw/zinc/19/01/95/593190195.db2.gz WUCGWACVHWESMR-RHSMWYFYSA-N 1 0 346.475 1.530 20 10 EDCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000839177088 593271125 /nfs/dbraw/zinc/27/11/25/593271125.db2.gz UQTZVKSXJXEXMD-MRXNPFEDSA-N 1 0 337.416 1.906 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000839221924 593278281 /nfs/dbraw/zinc/27/82/81/593278281.db2.gz DZQVWQLZIIZYHH-UHFFFAOYSA-N 1 0 348.491 1.511 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000839340044 593291451 /nfs/dbraw/zinc/29/14/51/593291451.db2.gz VRGQNRLIGMOMQI-UHFFFAOYSA-N 1 0 349.475 1.931 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000809705096 593356035 /nfs/dbraw/zinc/35/60/35/593356035.db2.gz NZWTXOGTHRLNNY-UGSOOPFHSA-N 1 0 347.415 1.744 20 10 EDCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000758056739 593392042 /nfs/dbraw/zinc/39/20/42/593392042.db2.gz PIQNWDWFZHWCFV-UHFFFAOYSA-N 1 0 330.425 1.683 20 10 EDCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000758055630 593392302 /nfs/dbraw/zinc/39/23/02/593392302.db2.gz LCWVMFCKDYBQSC-UHFFFAOYSA-N 1 0 339.505 1.904 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]CCCn2cc(CO)nn2)c1O ZINC000811511951 593472435 /nfs/dbraw/zinc/47/24/35/593472435.db2.gz YHUXENSIFMFBHE-UHFFFAOYSA-N 1 0 326.784 1.318 20 10 EDCDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817892092 593645946 /nfs/dbraw/zinc/64/59/46/593645946.db2.gz QNDZIKVTGYHPOB-JCGIZDLHSA-N 1 0 347.459 1.467 20 10 EDCDRO COc1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c(O)c1 ZINC000818000147 593655405 /nfs/dbraw/zinc/65/54/05/593655405.db2.gz HPTBGYMYCHNQSR-CQSZACIVSA-N 1 0 330.388 1.452 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3ccoc3)CC2)cc1 ZINC000818974488 593731507 /nfs/dbraw/zinc/73/15/07/593731507.db2.gz AZGRXRBVJKZTHF-GOSISDBHSA-N 1 0 345.443 1.561 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC3(C)CC3)CC2)cc1 ZINC000819129467 593740494 /nfs/dbraw/zinc/74/04/94/593740494.db2.gz JMHZJUFAXVHBIF-QGZVFWFLSA-N 1 0 333.476 1.568 20 10 EDCDRO O=C(C[NH+]1CCCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000820423709 593817957 /nfs/dbraw/zinc/81/79/57/593817957.db2.gz CCDFPJBZLOQTEF-UHFFFAOYSA-N 1 0 335.423 1.499 20 10 EDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC12COC2 ZINC000824490012 594023787 /nfs/dbraw/zinc/02/37/87/594023787.db2.gz SHHVYJUMQJIJNG-GFCCVEGCSA-N 1 0 335.356 1.132 20 10 EDCDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000822455348 594051314 /nfs/dbraw/zinc/05/13/14/594051314.db2.gz DLJXVVAMABXUOC-HOTGVXAUSA-N 1 0 340.514 1.905 20 10 EDCDRO COc1c(O)c(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000825129820 594133990 /nfs/dbraw/zinc/13/39/90/594133990.db2.gz FZWVDNJXBAXBHO-CMPLNLGQSA-N 1 0 326.349 1.281 20 10 EDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825693350 594227286 /nfs/dbraw/zinc/22/72/86/594227286.db2.gz XVVABTGYNMWPAD-CYBMUJFWSA-N 1 0 348.237 1.658 20 10 EDCDRO Cc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000828491779 594435671 /nfs/dbraw/zinc/43/56/71/594435671.db2.gz AZWXDCXBTGCABO-MRXNPFEDSA-N 1 0 337.489 1.848 20 10 EDCDRO O=C1CCC2=C(CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)N1 ZINC000826781176 594574315 /nfs/dbraw/zinc/57/43/15/594574315.db2.gz XHDUOOIKVGINHB-UHFFFAOYSA-N 1 0 327.428 1.893 20 10 EDCDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827369838 594665763 /nfs/dbraw/zinc/66/57/63/594665763.db2.gz PARJIJSXFCZGEI-ZDUSSCGKSA-N 1 0 345.365 1.386 20 10 EDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H](O)C1CC1 ZINC000831560799 594683404 /nfs/dbraw/zinc/68/34/04/594683404.db2.gz FNPSXQSAMKUCLE-LJQANCHMSA-N 1 0 343.471 1.606 20 10 EDCDRO COc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c(O)c1 ZINC000832178667 594732830 /nfs/dbraw/zinc/73/28/30/594732830.db2.gz VTTHLNXLDNBMMA-DDUZABMNSA-N 1 0 334.416 1.550 20 10 EDCDRO CC(C)[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832279625 594739938 /nfs/dbraw/zinc/73/99/38/594739938.db2.gz KYOTZQKCOOHKGO-FUHWJXTLSA-N 1 0 346.475 1.516 20 10 EDCDRO COC(=O)c1coc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832285452 594740345 /nfs/dbraw/zinc/74/03/45/594740345.db2.gz QPPHYEWZUQRTSR-AWEZNQCLSA-N 1 0 331.372 1.562 20 10 EDCDRO COCCn1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832286409 594740360 /nfs/dbraw/zinc/74/03/60/594740360.db2.gz ZRMBGJPLRGMNHY-HNNXBMFYSA-N 1 0 331.420 1.025 20 10 EDCDRO COc1cc(Br)cc(CN2CCCO[C@@H](C[NH3+])C2)c1O ZINC000841101555 594851217 /nfs/dbraw/zinc/85/12/17/594851217.db2.gz YINNAVNLRJLWSW-LBPRGKRZSA-N 1 0 345.237 1.713 20 10 EDCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000841108385 594852058 /nfs/dbraw/zinc/85/20/58/594852058.db2.gz YGBVIMWCTXFPJY-UHFFFAOYSA-N 1 0 329.238 1.749 20 10 EDCDRO C[C@H]1C[NH+](CCCNC(=O)NCCc2ccc(N)cc2)C[C@H](C)O1 ZINC000841676319 594934344 /nfs/dbraw/zinc/93/43/44/594934344.db2.gz URJARBJJTNWLTJ-GJZGRUSLSA-N 1 0 334.464 1.610 20 10 EDCDRO C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000841729482 594944726 /nfs/dbraw/zinc/94/47/26/594944726.db2.gz HELXHSONWMPSFM-DOTOQJQBSA-N 1 0 346.475 1.650 20 10 EDCDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729320 594944727 /nfs/dbraw/zinc/94/47/27/594944727.db2.gz DKAKLUYGROAJQG-HOCLYGCPSA-N 1 0 332.448 1.402 20 10 EDCDRO C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841742092 594946163 /nfs/dbraw/zinc/94/61/63/594946163.db2.gz UASLKCSKJJRBDB-HZPDHXFCSA-N 1 0 346.475 1.883 20 10 EDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000841832860 594959606 /nfs/dbraw/zinc/95/96/06/594959606.db2.gz VOKPCKWYIYZJLM-LJQANCHMSA-N 1 0 326.444 1.958 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)NCCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000841921564 594981792 /nfs/dbraw/zinc/98/17/92/594981792.db2.gz TWXCDRPLBIZCGL-UHFFFAOYSA-N 1 0 345.491 1.332 20 10 EDCDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1cccc(Br)c1O ZINC000841943900 594986903 /nfs/dbraw/zinc/98/69/03/594986903.db2.gz QPOTXOBBZLGZDX-LLVKDONJSA-N 1 0 330.226 1.937 20 10 EDCDRO [NH3+][C@@H](CNC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000841964863 594990870 /nfs/dbraw/zinc/99/08/70/594990870.db2.gz ASMSHFFBIIGEPH-NSHDSACASA-N 1 0 328.210 1.691 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1F ZINC000841967981 594991698 /nfs/dbraw/zinc/99/16/98/594991698.db2.gz JWDJODJDUFAMAS-HNNXBMFYSA-N 1 0 336.411 1.403 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000841971148 594992215 /nfs/dbraw/zinc/99/22/15/594992215.db2.gz FWALHOZCFGGDGM-UHFFFAOYSA-N 1 0 344.459 1.837 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000842011483 595002381 /nfs/dbraw/zinc/00/23/81/595002381.db2.gz SKKGDYRFZIHUCV-GOSISDBHSA-N 1 0 346.475 1.805 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000842201756 595036482 /nfs/dbraw/zinc/03/64/82/595036482.db2.gz BLOLYSILRASMPE-JLJPHGGASA-N 1 0 346.475 1.564 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203317 595037424 /nfs/dbraw/zinc/03/74/24/595037424.db2.gz QVQAOHAPLZGAPB-YCPHGPKFSA-N 1 0 346.475 1.516 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000842258498 595057347 /nfs/dbraw/zinc/05/73/47/595057347.db2.gz OSYFZZFBXKQPAQ-UHFFFAOYSA-N 1 0 346.475 1.489 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000842258801 595057755 /nfs/dbraw/zinc/05/77/55/595057755.db2.gz LPWWUKNZLNMWBD-WBVHZDCISA-N 1 0 346.475 1.345 20 10 EDCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(CCC)Cc1ccccc1O ZINC000842267498 595060833 /nfs/dbraw/zinc/06/08/33/595060833.db2.gz PFBCFOZJHLMKMR-HNNXBMFYSA-N 1 0 335.448 1.765 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC(=O)NC2CCCC2)cc1 ZINC000843296617 595065649 /nfs/dbraw/zinc/06/56/49/595065649.db2.gz BLPVLMHZZWCLRJ-QGZVFWFLSA-N 1 0 346.475 1.708 20 10 EDCDRO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350935 595083541 /nfs/dbraw/zinc/08/35/41/595083541.db2.gz XWNWEKWXGIPVCA-NSHDSACASA-N 1 0 327.436 1.492 20 10 EDCDRO Cc1cc(O)c(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Cl)c1 ZINC000843428268 595108317 /nfs/dbraw/zinc/10/83/17/595108317.db2.gz GZFWZGREXWXWJJ-LBPRGKRZSA-N 1 0 325.840 1.906 20 10 EDCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)CC2 ZINC000846153817 595159286 /nfs/dbraw/zinc/15/92/86/595159286.db2.gz KYPZBIFFMGCKOM-VXGBXAGGSA-N 1 0 332.404 1.804 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000846169988 595163524 /nfs/dbraw/zinc/16/35/24/595163524.db2.gz LOYYESQFPLXYEE-OAHLLOKOSA-N 1 0 334.464 1.915 20 10 EDCDRO COc1ccc(N(C)CCN(C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000846225259 595178645 /nfs/dbraw/zinc/17/86/45/595178645.db2.gz KDRLCOBSPSLERX-UHFFFAOYSA-N 1 0 333.436 1.840 20 10 EDCDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2cccc3nonc32)c2ccccc21 ZINC000842797944 595202650 /nfs/dbraw/zinc/20/26/50/595202650.db2.gz VLEMVRNXPKFDRC-NSHDSACASA-N 1 0 344.396 1.864 20 10 EDCDRO C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCN1S(C)(=O)=O ZINC000835043425 595252227 /nfs/dbraw/zinc/25/22/27/595252227.db2.gz UEQAPNYCGBCBPZ-YVACAVLKSA-N 1 0 337.489 1.732 20 10 EDCDRO C[NH2+]C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844217145 595304790 /nfs/dbraw/zinc/30/47/90/595304790.db2.gz DYKPQTXONJZGMF-QGZVFWFLSA-N 1 0 332.492 1.642 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@H]1CCCOC1)cc2=O ZINC000844403196 595338128 /nfs/dbraw/zinc/33/81/28/595338128.db2.gz DIQSMFDQGBMRQZ-ZDUSSCGKSA-N 1 0 348.403 1.613 20 10 EDCDRO CCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106896032 595432985 /nfs/dbraw/zinc/43/29/85/595432985.db2.gz IAFYHDTVPPKFDZ-UHFFFAOYSA-N 1 0 343.468 1.797 20 10 EDCDRO CCc1cccc(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000848894070 595464128 /nfs/dbraw/zinc/46/41/28/595464128.db2.gz GCCGZFUDLLHCRU-QGZVFWFLSA-N 1 0 333.476 1.987 20 10 EDCDRO CC(C)CNC(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000849070725 595477816 /nfs/dbraw/zinc/47/78/16/595477816.db2.gz WXLVRHCDTTVKKW-HNNXBMFYSA-N 1 0 331.464 1.658 20 10 EDCDRO CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792013 595545011 /nfs/dbraw/zinc/54/50/11/595545011.db2.gz OXEMRKCKDLVFJR-MSOLQXFVSA-N 1 0 348.491 1.810 20 10 EDCDRO 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CC[C@H](CO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098437 591688055 /nfs/dbraw/zinc/68/80/55/591688055.db2.gz OBJGZYLCTFQDEG-NVXWUHKLSA-N 1 0 336.480 1.768 20 10 EDCDRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCOCC1 ZINC000895318155 591711196 /nfs/dbraw/zinc/71/11/96/591711196.db2.gz BWAUAVRUGZHXJR-AWEZNQCLSA-N 1 0 325.405 1.941 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1O ZINC000897039675 591718631 /nfs/dbraw/zinc/71/86/31/591718631.db2.gz BJYJPYAUWPMBBP-CQSZACIVSA-N 1 0 334.416 1.254 20 10 EDCDRO CCCCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898327487 591860406 /nfs/dbraw/zinc/86/04/06/591860406.db2.gz KIMBWDSZBNYNOK-UHFFFAOYSA-N 1 0 346.475 1.313 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1)[C@@H](O)CO2 ZINC000902609846 592025161 /nfs/dbraw/zinc/02/51/61/592025161.db2.gz QFGOWOVJULEPET-VBQJREDUSA-N 1 0 335.400 1.588 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1O ZINC000903400150 592167019 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EDCDRO Cc1cc(C(=O)CN2C[C@H](O)[C@H](CO)C2)c(C)n1-c1ccccc1C ZINC000839171210 593270400 /nfs/dbraw/zinc/27/04/00/593270400.db2.gz AVASTLHTBYBUNY-LPHOPBHVSA-N 1 0 342.439 1.870 20 10 EDCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1 ZINC000839174844 593271086 /nfs/dbraw/zinc/27/10/86/593271086.db2.gz SSBXZCRDXFSFAG-INIZCTEOSA-N 1 0 337.416 1.906 20 10 EDCDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000839532686 593333928 /nfs/dbraw/zinc/33/39/28/593333928.db2.gz ZKCQMUGQKYLRBV-HZPDHXFCSA-N 1 0 332.492 1.783 20 10 EDCDRO [O-]c1c(Br)cccc1C[NH2+]CCN1CCCOCC1 ZINC000809751950 593357938 /nfs/dbraw/zinc/35/79/38/593357938.db2.gz YXPPWDAFKFBZDO-UHFFFAOYSA-N 1 0 329.238 1.967 20 10 EDCDRO O=C1NCCc2ccc(C[NH2+]Cc3cc4c(cc3O)OCO4)cc21 ZINC000757941500 593389877 /nfs/dbraw/zinc/38/98/77/593389877.db2.gz FUDDRWRRXFNAPZ-UHFFFAOYSA-N 1 0 326.352 1.697 20 10 EDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000804221089 593397661 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ZINC000841712508 594941694 /nfs/dbraw/zinc/94/16/94/594941694.db2.gz PIBKROVUUQLYLT-UHFFFAOYSA-N 1 0 336.411 1.214 20 10 EDCDRO O=C(NC[C@H]1C[NH2+]CCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842012172 595002409 /nfs/dbraw/zinc/00/24/09/595002409.db2.gz VDHFYHSMQQBJQZ-JKSUJKDBSA-N 1 0 349.431 1.071 20 10 EDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000842152829 595024376 /nfs/dbraw/zinc/02/43/76/595024376.db2.gz JUTWADNFSQRFHQ-HNNXBMFYSA-N 1 0 346.475 1.135 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842154835 595025220 /nfs/dbraw/zinc/02/52/20/595025220.db2.gz XCWHMIIBJVAOTJ-IBGZPJMESA-N 1 0 344.459 1.032 20 10 EDCDRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000842181865 595030784 /nfs/dbraw/zinc/03/07/84/595030784.db2.gz CIRKVGMUGMIJRP-JYJNAYRXSA-N 1 0 348.491 1.910 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000842224017 595043538 /nfs/dbraw/zinc/04/35/38/595043538.db2.gz 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ZINC000843296336 595065425 /nfs/dbraw/zinc/06/54/25/595065425.db2.gz ATBQCOIAHUXRDU-CABCVRRESA-N 1 0 335.452 1.096 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cnn3ccccc23)cc1 ZINC000843298041 595066070 /nfs/dbraw/zinc/06/60/70/595066070.db2.gz LRPHFTAPJATRKF-KRWDZBQOSA-N 1 0 337.427 1.759 20 10 EDCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843388504 595097071 /nfs/dbraw/zinc/09/70/71/595097071.db2.gz POKTVRBRMNEETB-AWEZNQCLSA-N 1 0 336.407 1.921 20 10 EDCDRO COc1cc(Cl)cc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1O ZINC000843428737 595108769 /nfs/dbraw/zinc/10/87/69/595108769.db2.gz MSEUHZJWVMYTOW-NSHDSACASA-N 1 0 341.839 1.606 20 10 EDCDRO C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000837708094 595173812 /nfs/dbraw/zinc/17/38/12/595173812.db2.gz RFKFWUHZMPKEFK-NSHDSACASA-N 1 0 327.375 1.368 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)N2CCCCCC2)cc1 ZINC000842786258 595198108 /nfs/dbraw/zinc/19/81/08/595198108.db2.gz OTTOQBXLXNRJRA-INIZCTEOSA-N 1 0 340.493 1.463 20 10 EDCDRO CNC(=O)CN1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835034669 595250335 /nfs/dbraw/zinc/25/03/35/595250335.db2.gz ADYHXRZIKDIKDI-PLNGDYQASA-N 1 0 330.476 1.566 20 10 EDCDRO CC(=O)N1CCN(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835037894 595251152 /nfs/dbraw/zinc/25/11/52/595251152.db2.gz YTNKXUVUXPYECG-PLNGDYQASA-N 1 0 330.476 1.520 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1F ZINC000844190767 595297853 /nfs/dbraw/zinc/29/78/53/595297853.db2.gz NUXMWYGFCOUKHL-BBRMVZONSA-N 1 0 335.423 1.871 20 10 EDCDRO C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844226222 595309691 /nfs/dbraw/zinc/30/96/91/595309691.db2.gz KGZUWCNJHRNPJF-WBVHZDCISA-N 1 0 332.492 1.628 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000844363145 595330686 /nfs/dbraw/zinc/33/06/86/595330686.db2.gz IGWDIFLXFHBXND-UHFFFAOYSA-N 1 0 345.487 1.948 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCCC[C@@H]1CO)cc2=O ZINC000847017107 595351611 /nfs/dbraw/zinc/35/16/11/595351611.db2.gz QEXBQVBIXSGMTN-CYBMUJFWSA-N 1 0 348.403 1.349 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=S)NCCC[NH+](C)C)cc1 ZINC000844582139 595361684 /nfs/dbraw/zinc/36/16/84/595361684.db2.gz DZRIMUCPHCCLBF-UHFFFAOYSA-N 1 0 338.521 1.889 20 10 EDCDRO O=C(NCCCSc1nccs1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847335551 595398360 /nfs/dbraw/zinc/39/83/60/595398360.db2.gz FLDPYINRHYLVNQ-NWDGAFQWSA-N 1 0 342.490 1.086 20 10 EDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000848566945 595406444 /nfs/dbraw/zinc/40/64/44/595406444.db2.gz MQASAWVJEKKBBA-HNNXBMFYSA-N 1 0 327.432 1.299 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000848910751 595466343 /nfs/dbraw/zinc/46/63/43/595466343.db2.gz PLGKXSGOTIEVOT-OAHLLOKOSA-N 1 0 326.462 1.810 20 10 EDCDRO CCc1cccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000848915547 595467601 /nfs/dbraw/zinc/46/76/01/595467601.db2.gz XIYFYLCRIJMRHX-QGZVFWFLSA-N 1 0 331.460 1.741 20 10 EDCDRO COc1ccc(N2CCN(CCNC3=[NH+]CCCN3C)CC2)cc1 ZINC000849111450 595483660 /nfs/dbraw/zinc/48/36/60/595483660.db2.gz OHTUWIWYTVHBDU-UHFFFAOYSA-N 1 0 331.464 1.098 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1F ZINC000852798599 595548100 /nfs/dbraw/zinc/54/81/00/595548100.db2.gz MHEWEECIILEGDM-UHFFFAOYSA-N 1 0 346.410 1.338 20 10 EDCDRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858469669 595804309 /nfs/dbraw/zinc/80/43/09/595804309.db2.gz XXALTDHPLAGWHO-KKXDTOCCSA-N 1 0 338.423 1.853 20 10 EDCDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858548379 595824988 /nfs/dbraw/zinc/82/49/88/595824988.db2.gz MHNCHTNADZURCA-GDBMZVCRSA-N 1 0 337.439 1.380 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000851661519 595872888 /nfs/dbraw/zinc/87/28/88/595872888.db2.gz LUSDCVHZAIAXQB-INIZCTEOSA-N 1 0 346.475 1.447 20 10 EDCDRO C[C@@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000851898667 595967847 /nfs/dbraw/zinc/96/78/47/595967847.db2.gz XAPKOSKLDIXUGM-CQSZACIVSA-N 1 0 346.431 1.068 20 10 EDCDRO CCN1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854301696 596027377 /nfs/dbraw/zinc/02/73/77/596027377.db2.gz CQVYJVGBIVGDPJ-OAHLLOKOSA-N 1 0 332.448 1.621 20 10 EDCDRO C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861590137 596039328 /nfs/dbraw/zinc/03/93/28/596039328.db2.gz MAAHZXSDBGAYCO-UHFFFAOYSA-N 1 0 332.448 1.440 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000861768064 596096206 /nfs/dbraw/zinc/09/62/06/596096206.db2.gz WAMWNZSABSFJDJ-UMVBOHGHSA-N 1 0 332.448 1.187 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@H](C)C(O)[C@@H](C)C1)cc2=O ZINC000852503462 596185346 /nfs/dbraw/zinc/18/53/46/596185346.db2.gz OTFAULOAYUMNRP-QWRGUYRKSA-N 1 0 348.403 1.060 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000859966473 596235799 /nfs/dbraw/zinc/23/57/99/596235799.db2.gz YTTXPCLWVRUSAL-WOVMCDHWSA-N 1 0 347.459 1.047 20 10 EDCDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000870956885 596417977 /nfs/dbraw/zinc/41/79/77/596417977.db2.gz NVPONYLHMUUZET-IYBDPMFKSA-N 1 0 331.460 1.781 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC3CC=CC3)CC2)cc1 ZINC000863570148 596621372 /nfs/dbraw/zinc/62/13/72/596621372.db2.gz DNAAWVULOFLVFC-LJQANCHMSA-N 1 0 345.487 1.734 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c1O ZINC000872262494 596859756 /nfs/dbraw/zinc/85/97/56/596859756.db2.gz GIEIVKZFQSVIDY-HNNXBMFYSA-N 1 0 342.779 1.365 20 10 EDCDRO CCC1CCN(S(=O)(=O)[N-]N=c2[nH]c3ccncc3s2)CC1 ZINC000872384254 596896698 /nfs/dbraw/zinc/89/66/98/596896698.db2.gz FNFYPVNOMPRCJJ-UHFFFAOYSA-N 1 0 341.462 1.975 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(c3nnnn3C)CC2)cc1OC ZINC000872787334 597068346 /nfs/dbraw/zinc/06/83/46/597068346.db2.gz DQGGFCGBKHOWNI-UHFFFAOYSA-N 1 0 333.392 1.313 20 10 EDCDRO COCCn1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000876506129 597224578 /nfs/dbraw/zinc/22/45/78/597224578.db2.gz FTXWLJXZYABJAH-INIZCTEOSA-N 1 0 331.420 1.025 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875013790 597244114 /nfs/dbraw/zinc/24/41/14/597244114.db2.gz BRYOZOJFGJYDMN-HNNXBMFYSA-N 1 0 333.432 1.774 20 10 EDCDRO OCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876721838 597305907 /nfs/dbraw/zinc/30/59/07/597305907.db2.gz VCXRGKCNLWLREP-LJQANCHMSA-N 1 0 334.460 1.621 20 10 EDCDRO CO[C@]1(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCOC1 ZINC000877145115 597442634 /nfs/dbraw/zinc/44/26/34/597442634.db2.gz CQRVQLXYDMAUSL-APWZRJJASA-N 1 0 347.459 1.283 20 10 EDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C(N)=O)C1 ZINC000877436334 597515039 /nfs/dbraw/zinc/51/50/39/597515039.db2.gz FMYRTLPUVQAVAH-KDOFPFPSSA-N 1 0 331.460 1.734 20 10 EDCDRO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2C1=O ZINC000877719537 597550859 /nfs/dbraw/zinc/55/08/59/597550859.db2.gz CAXVJOINAIMWQO-CALCHBBNSA-N 1 0 327.428 1.724 20 10 EDCDRO CCc1ncncc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850941 597753861 /nfs/dbraw/zinc/75/38/61/597753861.db2.gz LCKOLJDUNAADOF-UHFFFAOYSA-N 1 0 339.443 1.721 20 10 EDCDRO COC(=O)CCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851876 597754560 /nfs/dbraw/zinc/75/45/60/597754560.db2.gz CLXHSFNNQYXYHY-UHFFFAOYSA-N 1 0 333.432 1.398 20 10 EDCDRO COC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000883455700 597754808 /nfs/dbraw/zinc/75/48/08/597754808.db2.gz IWAWRQVGPQBDKY-GOSISDBHSA-N 1 0 348.491 1.909 20 10 EDCDRO C[C@H](CCCO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883510549 597782267 /nfs/dbraw/zinc/78/22/67/597782267.db2.gz QOHSPHRGQDGTSG-OAHLLOKOSA-N 1 0 334.464 1.399 20 10 EDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000883580061 597810742 /nfs/dbraw/zinc/81/07/42/597810742.db2.gz SHJRZYRRYUTUAZ-RDJZCZTQSA-N 1 0 346.475 1.805 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](CF)C1)cc2=O ZINC000880234857 597879327 /nfs/dbraw/zinc/87/93/27/597879327.db2.gz INJJQNQDTVZNNU-NSHDSACASA-N 1 0 336.367 1.793 20 10 EDCDRO CC[C@@]1(O)CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000879310553 597882538 /nfs/dbraw/zinc/88/25/38/597882538.db2.gz VPWHPWLRBQPOFZ-LJQANCHMSA-N 1 0 333.476 1.948 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCC3CC3)cc2)CC1 ZINC000882663540 598015845 /nfs/dbraw/zinc/01/58/45/598015845.db2.gz ZQTKMEAOBBMEIU-UHFFFAOYSA-N 1 0 337.489 1.658 20 10 EDCDRO CCO[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C[NH+](C)C ZINC000915365219 695802967 /nfs/dbraw/zinc/80/29/67/695802967.db2.gz CDGCPVMEDQSWIX-AWEZNQCLSA-N 1 0 340.443 1.658 20 10 EDCDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000925424451 695953945 /nfs/dbraw/zinc/95/39/45/695953945.db2.gz XOWBLCADUVLYRB-LLVKDONJSA-N 1 0 328.210 1.658 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC3(F)CC3)cc2)CC1 ZINC000919740093 697324928 /nfs/dbraw/zinc/32/49/28/697324928.db2.gz CQAAOWCWWGYHJC-UHFFFAOYSA-N 1 0 341.452 1.360 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc1C ZINC000939747301 699913006 /nfs/dbraw/zinc/91/30/06/699913006.db2.gz KICKZKBDJPEORJ-RHSMWYFYSA-N 1 0 342.443 1.987 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000182414319 700769193 /nfs/dbraw/zinc/76/91/93/700769193.db2.gz ZZLXZHYXEGJBQH-OLZOCXBDSA-N 1 0 342.461 1.723 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1F ZINC000922636269 704174281 /nfs/dbraw/zinc/17/42/81/704174281.db2.gz KGNCFDGSEBAWIY-UHFFFAOYSA-N 1 0 335.420 1.448 20 10 EDCDRO COc1cc(C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)cc(OC)n1 ZINC001034287878 709710736 /nfs/dbraw/zinc/71/07/36/709710736.db2.gz CENQUJPHYMFRJI-CQSZACIVSA-N 1 0 337.420 1.066 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2nccn2)cc1C ZINC001034947993 711404938 /nfs/dbraw/zinc/40/49/38/711404938.db2.gz JRYSEARRRYRVRO-MRXNPFEDSA-N 1 0 343.431 1.376 20 10 EDCDRO O=C(C[NH2+]CC1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000269246351 249377971 /nfs/dbraw/zinc/37/79/71/249377971.db2.gz MHYSLSDNTDFRLR-UHFFFAOYSA-N 1 0 335.423 1.403 20 10 EDCDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000270314255 249410112 /nfs/dbraw/zinc/41/01/12/249410112.db2.gz GSDVUCHADFBAMZ-AWEZNQCLSA-N 1 0 349.450 1.793 20 10 EDCDRO CN1CCc2cc(CNC(=O)NC[C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000372446067 250218550 /nfs/dbraw/zinc/21/85/50/250218550.db2.gz JRPIHPUMUXHNHO-QGZVFWFLSA-N 1 0 346.475 1.325 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH+]2CCN(C3(C(N)=O)CCCC3)CC2)c1 ZINC000372589726 250222750 /nfs/dbraw/zinc/22/27/50/250222750.db2.gz DJRPKWGGZUWFPW-AWEZNQCLSA-N 1 0 347.459 1.878 20 10 EDCDRO CN1CCC2(CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1=O ZINC000369649630 250202711 /nfs/dbraw/zinc/20/27/11/250202711.db2.gz RRUZXNIKTMCIJO-UHFFFAOYSA-N 1 0 343.471 1.968 20 10 EDCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccccc1O ZINC000372886963 250227662 /nfs/dbraw/zinc/22/76/62/250227662.db2.gz ZTLJICWJCCSTBH-FHSNZYRGSA-N 1 0 328.416 1.996 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)cc1F ZINC000377728242 447320218 /nfs/dbraw/zinc/32/02/18/447320218.db2.gz VZQZIHJBJVAALP-UWWQBHOKSA-N 1 0 335.423 1.808 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000070953030 441129036 /nfs/dbraw/zinc/12/90/36/441129036.db2.gz BTZAOQYXKCJQII-GOSISDBHSA-N 1 0 333.476 1.948 20 10 EDCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000092074552 441771716 /nfs/dbraw/zinc/77/17/16/441771716.db2.gz VFYNPTAEBPJLJI-UHFFFAOYSA-N 1 0 328.416 1.829 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150808172 441954226 /nfs/dbraw/zinc/95/42/26/441954226.db2.gz LGLKEPHRORNWLG-GOSISDBHSA-N 1 0 344.503 1.787 20 10 EDCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000128032929 442240938 /nfs/dbraw/zinc/24/09/38/442240938.db2.gz QMCGJCMNUYVTEH-SFHVURJKSA-N 1 0 332.448 1.175 20 10 EDCDRO COCC[N@H+](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000171203525 442327439 /nfs/dbraw/zinc/32/74/39/442327439.db2.gz WTHBWTJBWCVLDJ-UHFFFAOYSA-N 1 0 334.464 1.446 20 10 EDCDRO CC(C)S(=O)(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000178206490 442415362 /nfs/dbraw/zinc/41/53/62/442415362.db2.gz UKWBUXDUAHHICJ-UHFFFAOYSA-N 1 0 340.489 1.778 20 10 EDCDRO COCc1noc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000181972770 442724380 /nfs/dbraw/zinc/72/43/80/442724380.db2.gz KZCJOHUJBSGNRI-UHFFFAOYSA-N 1 0 332.404 1.685 20 10 EDCDRO COc1cc(O)c(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1OC ZINC000188844881 442825812 /nfs/dbraw/zinc/82/58/12/442825812.db2.gz GPGPJNPKLADJJS-CYBMUJFWSA-N 1 0 338.448 1.686 20 10 EDCDRO CC[NH+]1CCN(CCC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000263672195 443235645 /nfs/dbraw/zinc/23/56/45/443235645.db2.gz JAULMEUDDRKLDN-UHFFFAOYSA-N 1 0 344.503 1.713 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@@H]1CCCO1)cc2=O ZINC000273421846 443571572 /nfs/dbraw/zinc/57/15/72/443571572.db2.gz RHCVJHKSMUFHCK-MFKMUULPSA-N 1 0 334.376 1.269 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000283693437 443691131 /nfs/dbraw/zinc/69/11/31/443691131.db2.gz PLCGJGKZJSKNBY-QGZVFWFLSA-N 1 0 348.491 1.950 20 10 EDCDRO CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc(N(C)C)cc2)[N@H+](C)C1 ZINC000284739383 443786953 /nfs/dbraw/zinc/78/69/53/443786953.db2.gz MYENIZXEWTVJSD-IRXDYDNUSA-N 1 0 334.464 1.613 20 10 EDCDRO COc1cc(Cl)cc(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000284616265 443780908 /nfs/dbraw/zinc/78/09/08/443780908.db2.gz MCJBCWOMAFUBAG-UONOGXRCSA-N 1 0 326.824 1.959 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281995808 444057692 /nfs/dbraw/zinc/05/76/92/444057692.db2.gz PXBSCYQTXGTVRT-UHFFFAOYSA-N 1 0 334.464 1.560 20 10 EDCDRO CC(C)n1cc([C@]2(O)CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000285664781 444065612 /nfs/dbraw/zinc/06/56/12/444065612.db2.gz YSRCUQAUDOCWCJ-KRWDZBQOSA-N 1 0 346.387 1.387 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000289334907 444110917 /nfs/dbraw/zinc/11/09/17/444110917.db2.gz HCBHNQBHRKWJJY-UHFFFAOYSA-N 1 0 342.461 1.552 20 10 EDCDRO CCCC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccccc1O ZINC000282324093 444148322 /nfs/dbraw/zinc/14/83/22/444148322.db2.gz AHJAFBZEAHRNHF-UHFFFAOYSA-N 1 0 347.459 1.685 20 10 EDCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000295030363 444164365 /nfs/dbraw/zinc/16/43/65/444164365.db2.gz DCQCXRUWZZDTKP-HIFRSBDPSA-N 1 0 326.824 1.959 20 10 EDCDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)NC(=O)NC1=O ZINC000289629032 444183258 /nfs/dbraw/zinc/18/32/58/444183258.db2.gz LXJOXGGJVJUNOV-GTNSWQLSSA-N 1 0 347.371 1.074 20 10 EDCDRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295982183 444197638 /nfs/dbraw/zinc/19/76/38/444197638.db2.gz NGYPSNGUHKKNIQ-HNNXBMFYSA-N 1 0 332.425 1.859 20 10 EDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000290079574 444239276 /nfs/dbraw/zinc/23/92/76/444239276.db2.gz WAAYCCNPYKIMNC-NVXWUHKLSA-N 1 0 349.450 1.791 20 10 EDCDRO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1=O ZINC000362796966 445553836 /nfs/dbraw/zinc/55/38/36/445553836.db2.gz KZOKRLPCZPWBSS-QGZVFWFLSA-N 1 0 347.371 1.026 20 10 EDCDRO O=C1NC[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@H]12 ZINC000365661704 446291657 /nfs/dbraw/zinc/29/16/57/446291657.db2.gz RGHPFWYWVIRLMJ-PWSUYJOCSA-N 1 0 325.206 1.723 20 10 EDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000106584075 534058290 /nfs/dbraw/zinc/05/82/90/534058290.db2.gz BHNVDFMBHFCAEC-MRXNPFEDSA-N 1 0 347.507 1.530 20 10 EDCDRO CC(C)[N@H+](CCOCCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298629546 519650137 /nfs/dbraw/zinc/65/01/37/519650137.db2.gz VRXDVWJYLHHOCN-UHFFFAOYSA-N 1 0 337.464 1.088 20 10 EDCDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000093045986 528084834 /nfs/dbraw/zinc/08/48/34/528084834.db2.gz IWAMTPYMYPRHHV-UHFFFAOYSA-N 1 0 335.448 1.387 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CC)cc2F)CC1 ZINC000106896030 529153297 /nfs/dbraw/zinc/15/32/97/529153297.db2.gz YQWJSXZINRURIG-UHFFFAOYSA-N 1 0 329.441 1.407 20 10 EDCDRO COc1cccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)c1O ZINC000725848696 578288972 /nfs/dbraw/zinc/28/89/72/578288972.db2.gz CVRBTFLNDYEKSJ-UHFFFAOYSA-N 1 0 326.352 1.787 20 10 EDCDRO Oc1ccccc1CN(C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000749296209 579720848 /nfs/dbraw/zinc/72/08/48/579720848.db2.gz GQOIPCZSSZZEEP-MSOLQXFVSA-N 1 0 334.460 1.830 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000754023395 579894173 /nfs/dbraw/zinc/89/41/73/579894173.db2.gz ALTDAOFVUHWKDJ-SJLPKXTDSA-N 1 0 333.476 1.520 20 10 EDCDRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756684548 579954879 /nfs/dbraw/zinc/95/48/79/579954879.db2.gz YNFNECGVUORIGB-PWSUYJOCSA-N 1 0 330.425 1.997 20 10 EDCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762790177 580083420 /nfs/dbraw/zinc/08/34/20/580083420.db2.gz XWLDAFWFIDESFO-KSSFIOAISA-N 1 0 337.439 1.380 20 10 EDCDRO CN(C)c1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000766108501 580159415 /nfs/dbraw/zinc/15/94/15/580159415.db2.gz OWDSCHOKLLSCCG-UHFFFAOYSA-N 1 0 326.448 1.907 20 10 EDCDRO CN(C)C(=O)CCN1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768462153 580213773 /nfs/dbraw/zinc/21/37/73/580213773.db2.gz KDFFIQICBPWSCV-UHFFFAOYSA-N 1 0 345.487 1.867 20 10 EDCDRO OCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769384825 580235375 /nfs/dbraw/zinc/23/53/75/580235375.db2.gz WRLWLZKICZJVDP-MRXNPFEDSA-N 1 0 338.423 1.636 20 10 EDCDRO OCCOC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769538736 580239596 /nfs/dbraw/zinc/23/95/96/580239596.db2.gz VPFHWJSWWQGEFD-UHFFFAOYSA-N 1 0 338.423 1.636 20 10 EDCDRO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772466368 580312107 /nfs/dbraw/zinc/31/21/07/580312107.db2.gz NMOGJIJQQXFALO-LBPRGKRZSA-N 1 0 334.399 1.079 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000773765883 580345739 /nfs/dbraw/zinc/34/57/39/580345739.db2.gz OBFNZTSYIYTUIS-MRXNPFEDSA-N 1 0 339.505 1.904 20 10 EDCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775639476 580395835 /nfs/dbraw/zinc/39/58/35/580395835.db2.gz WUAPLMFITAJEEY-QGZVFWFLSA-N 1 0 337.489 1.057 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000775647623 580396211 /nfs/dbraw/zinc/39/62/11/580396211.db2.gz ZLFWSHLBTRORQK-UHFFFAOYSA-N 1 0 342.487 1.493 20 10 EDCDRO COc1cc(O)c(C[NH2+]CCc2nnc3ccccn32)cc1OC ZINC000776173671 580410377 /nfs/dbraw/zinc/41/03/77/580410377.db2.gz FESUVOFIXNRTMG-UHFFFAOYSA-N 1 0 328.372 1.784 20 10 EDCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000776252158 580412865 /nfs/dbraw/zinc/41/28/65/580412865.db2.gz JLLIWOQRLCXNHV-VIFPVBQESA-N 1 0 336.251 1.986 20 10 EDCDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000776521342 580419222 /nfs/dbraw/zinc/41/92/22/580419222.db2.gz WNFDREKLXOTFSC-INIZCTEOSA-N 1 0 325.361 1.303 20 10 EDCDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(F)ccc1O)C(F)(F)F ZINC000779118029 580479746 /nfs/dbraw/zinc/47/97/46/580479746.db2.gz AFQPKOFLLOTQJH-CYBMUJFWSA-N 1 0 333.285 1.805 20 10 EDCDRO CC[C@@H](CO)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000779769773 580496781 /nfs/dbraw/zinc/49/67/81/580496781.db2.gz SJIWKGRVFGTGOW-HNNXBMFYSA-N 1 0 337.439 1.602 20 10 EDCDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000780954312 580538615 /nfs/dbraw/zinc/53/86/15/580538615.db2.gz DBYVGXRDUSDBNO-CQSZACIVSA-N 1 0 336.432 1.979 20 10 EDCDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000781429164 580549378 /nfs/dbraw/zinc/54/93/78/580549378.db2.gz YHMPVOSBXWXXEK-ZFWWWQNUSA-N 1 0 326.412 1.974 20 10 EDCDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000781429156 580549411 /nfs/dbraw/zinc/54/94/11/580549411.db2.gz YHMPVOSBXWXXEK-HIFRSBDPSA-N 1 0 326.412 1.974 20 10 EDCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000782912734 580588052 /nfs/dbraw/zinc/58/80/52/580588052.db2.gz GLNAFDUERVFMOP-FZKQIMNGSA-N 1 0 348.443 1.503 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000793385519 580843194 /nfs/dbraw/zinc/84/31/94/580843194.db2.gz VMBTWLHKYJCTAZ-CQSZACIVSA-N 1 0 343.221 1.861 20 10 EDCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000793594217 580848536 /nfs/dbraw/zinc/84/85/36/580848536.db2.gz XCGHVOQNVKWJRO-SJORKVTESA-N 1 0 333.476 1.410 20 10 EDCDRO CC[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(C)cc1O ZINC000794811946 580906443 /nfs/dbraw/zinc/90/64/43/580906443.db2.gz UYETYSJGGJNTLH-HNNXBMFYSA-N 1 0 342.461 1.403 20 10 EDCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000795583451 580930050 /nfs/dbraw/zinc/93/00/50/580930050.db2.gz SIBXRSBUNOPDCQ-JKSUJKDBSA-N 1 0 338.423 1.397 20 10 EDCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000800309534 581050225 /nfs/dbraw/zinc/05/02/25/581050225.db2.gz KNHZBCRLLZFUMH-YPMHNXCESA-N 1 0 328.434 1.208 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1C ZINC000800309825 581050299 /nfs/dbraw/zinc/05/02/99/581050299.db2.gz SBWJZHYQCGRFEX-ZFWWWQNUSA-N 1 0 326.462 1.817 20 10 EDCDRO CCCC[N@H+](Cc1ccccc1O)CC1(O)CCS(=O)(=O)CC1 ZINC000801598523 581081194 /nfs/dbraw/zinc/08/11/94/581081194.db2.gz BNQFZMJECAFBPI-UHFFFAOYSA-N 1 0 341.473 1.934 20 10 EDCDRO CC[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893145270 590681610 /nfs/dbraw/zinc/68/16/10/590681610.db2.gz DHRNGCPUDZTYRX-RDJZCZTQSA-N 1 0 336.480 1.816 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)c(OC)c1 ZINC000892048159 590771890 /nfs/dbraw/zinc/77/18/90/590771890.db2.gz HPTKPBXGOVPFGG-HNNXBMFYSA-N 1 0 348.447 1.273 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@]34C[C@@H]3COC4(C)C)cc2)CC1 ZINC000893608485 591005397 /nfs/dbraw/zinc/00/53/97/591005397.db2.gz VDKQDDMTQDUZGX-OXQOHEQNSA-N 1 0 343.471 1.870 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCN(C)C2=O)[NH+](C)C)cc1 ZINC000891245985 591015479 /nfs/dbraw/zinc/01/54/79/591015479.db2.gz LEWDNHDGIJJWDU-QFBILLFUSA-N 1 0 346.475 1.340 20 10 EDCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1 ZINC000891250100 591018396 /nfs/dbraw/zinc/01/83/96/591018396.db2.gz YYGRTONCJXQBAL-QGZVFWFLSA-N 1 0 327.432 1.884 20 10 EDCDRO CCCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000891248745 591018412 /nfs/dbraw/zinc/01/84/12/591018412.db2.gz NQKRGULIIXROEQ-QGZVFWFLSA-N 1 0 344.463 1.787 20 10 EDCDRO CCN1CCO[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891250560 591018504 /nfs/dbraw/zinc/01/85/04/591018504.db2.gz AUAIHWPGWUBJHS-ZWKOTPCHSA-N 1 0 348.491 1.192 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CN(C)C(=O)C2CC2)[NH+](C)C)cc1 ZINC000891254530 591021497 /nfs/dbraw/zinc/02/14/97/591021497.db2.gz ZDWZRLVOJQSVTO-KRWDZBQOSA-N 1 0 346.475 1.340 20 10 EDCDRO COc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891254218 591021759 /nfs/dbraw/zinc/02/17/59/591021759.db2.gz XOYLQIYIAOXRNX-MRXNPFEDSA-N 1 0 343.431 1.584 20 10 EDCDRO CC(=O)N[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC000891257911 591023091 /nfs/dbraw/zinc/02/30/91/591023091.db2.gz MXBWKYKLXMWIRL-ROUUACIJSA-N 1 0 348.491 1.632 20 10 EDCDRO OCCOCC1(O)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000895829994 591284125 /nfs/dbraw/zinc/28/41/25/591284125.db2.gz QMELZUCZLDWPEE-UHFFFAOYSA-N 1 0 331.412 1.881 20 10 EDCDRO CC[C@@H]1C(=O)NCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000898541361 591403073 /nfs/dbraw/zinc/40/30/73/591403073.db2.gz HPCZSLWCQJRPJU-MRXNPFEDSA-N 1 0 335.423 1.763 20 10 EDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1 ZINC000897575124 591561302 /nfs/dbraw/zinc/56/13/02/591561302.db2.gz QHKJZVANUTTXOW-UHFFFAOYSA-N 1 0 340.431 1.667 20 10 EDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC000897573481 591561934 /nfs/dbraw/zinc/56/19/34/591561934.db2.gz KGPJNQNNZAINMW-UHFFFAOYSA-N 1 0 340.431 1.667 20 10 EDCDRO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895119069 591598851 /nfs/dbraw/zinc/59/88/51/591598851.db2.gz UPYTWMJZSRDTJW-HRCADAONSA-N 1 0 330.476 1.536 20 10 EDCDRO COCC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899102183 591682424 /nfs/dbraw/zinc/68/24/24/591682424.db2.gz NPPGJJFTPUMOAR-MRXNPFEDSA-N 1 0 334.464 1.834 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2(O)CCC2)[NH+](C)C)cc1 ZINC000899103320 591683536 /nfs/dbraw/zinc/68/35/36/591683536.db2.gz YZZNLKIJUNPJKP-MRXNPFEDSA-N 1 0 334.464 1.570 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c(O)c1OC ZINC000897229350 591779706 /nfs/dbraw/zinc/77/97/06/591779706.db2.gz UFRZYVAGLDQJPQ-HNNXBMFYSA-N 1 0 336.432 1.752 20 10 EDCDRO Fc1cc(C[NH2+][C@@H]2CCO[C@]23CCOC3)ccc1N1CCOCC1 ZINC000903072518 592119731 /nfs/dbraw/zinc/11/97/31/592119731.db2.gz KGGZERPLGCEEGH-MSOLQXFVSA-N 1 0 336.407 1.700 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903483968 592177643 /nfs/dbraw/zinc/17/76/43/592177643.db2.gz NDDAZYGMGXHMCH-SFHVURJKSA-N 1 0 344.503 1.975 20 10 EDCDRO C/C=C\[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000901288640 592326265 /nfs/dbraw/zinc/32/62/65/592326265.db2.gz YOKZUAYWHKFVNT-FFPCURRISA-N 1 0 343.471 1.772 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)C[C@@]2(O)CCOC2)C2CC2)cc1 ZINC000905916224 592680904 /nfs/dbraw/zinc/68/09/04/592680904.db2.gz VGAHWMGFVXNKJR-MOPGFXCFSA-N 1 0 334.460 1.619 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000910994697 592908394 /nfs/dbraw/zinc/90/83/94/592908394.db2.gz XSACZQBBEKYPHF-IBGZPJMESA-N 1 0 344.459 1.113 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000911229801 592970005 /nfs/dbraw/zinc/97/00/05/592970005.db2.gz NCVCRUFBCPMDIF-MRXNPFEDSA-N 1 0 346.475 1.263 20 10 EDCDRO COc1cccc2c1CC[C@]2([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000911782245 593004097 /nfs/dbraw/zinc/00/40/97/593004097.db2.gz FZZMVZIKWBWHSI-LJQANCHMSA-N 1 0 325.412 1.737 20 10 EDCDRO C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000838914722 593231782 /nfs/dbraw/zinc/23/17/82/593231782.db2.gz QGQJKZUNTXVZCS-KBPBESRZSA-N 1 0 346.431 1.114 20 10 EDCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(CO)C2)ccc1N1CCCCC1 ZINC000839156191 593265768 /nfs/dbraw/zinc/26/57/68/593265768.db2.gz YKRMEGHYLZFCHW-GOSISDBHSA-N 1 0 349.431 1.904 20 10 EDCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000839177087 593271027 /nfs/dbraw/zinc/27/10/27/593271027.db2.gz UQTZVKSXJXEXMD-INIZCTEOSA-N 1 0 337.416 1.906 20 10 EDCDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000817131721 593573941 /nfs/dbraw/zinc/57/39/41/593573941.db2.gz MEYQEXGFNRKOPA-GFCCVEGCSA-N 1 0 338.364 1.834 20 10 EDCDRO Cc1cc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)ccc1N(C)C ZINC000815060595 593612523 /nfs/dbraw/zinc/61/25/23/593612523.db2.gz WXJBWVXICUEBQU-IBGZPJMESA-N 1 0 344.459 1.871 20 10 EDCDRO Fc1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)ccc1N1CCOCC1 ZINC000817889701 593645390 /nfs/dbraw/zinc/64/53/90/593645390.db2.gz VATPQRRMIPGIHB-RTBURBONSA-N 1 0 349.450 1.519 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000817919044 593648428 /nfs/dbraw/zinc/64/84/28/593648428.db2.gz OPVQUFUTVGTPLI-LJQANCHMSA-N 1 0 344.459 1.066 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000817917997 593648438 /nfs/dbraw/zinc/64/84/38/593648438.db2.gz GETXABXPXPETFF-PBHICJAKSA-N 1 0 346.475 1.297 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000817974068 593652739 /nfs/dbraw/zinc/65/27/39/593652739.db2.gz IPCHQCAHWWQZRD-HUUCEWRRSA-N 1 0 347.459 1.717 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[NH2+]C[C@@H]3CCCO3)C2)cc1 ZINC000818613612 593708020 /nfs/dbraw/zinc/70/80/20/593708020.db2.gz VKYTYUCUZYMIDS-YJBOKZPZSA-N 1 0 347.459 1.406 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000818654807 593710464 /nfs/dbraw/zinc/71/04/64/593710464.db2.gz GGOTYOALBHXMNS-BZUAXINKSA-N 1 0 346.475 1.948 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000818654630 593710501 /nfs/dbraw/zinc/71/05/01/593710501.db2.gz DACKZHLGTXZAGC-IIDMSEBBSA-N 1 0 346.475 1.819 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000818655630 593710616 /nfs/dbraw/zinc/71/06/16/593710616.db2.gz MSIHKIOLMMKDPX-GJZGRUSLSA-N 1 0 332.448 1.573 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)C2)cc1 ZINC000818656614 593710637 /nfs/dbraw/zinc/71/06/37/593710637.db2.gz ZMLUFRDEESWWCP-BZUAXINKSA-N 1 0 346.475 1.913 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CC=CCC3)CC2)cc1 ZINC000819087590 593738193 /nfs/dbraw/zinc/73/81/93/593738193.db2.gz LUYIBFSRZMROFK-PKOBYXMFSA-N 1 0 345.487 1.876 20 10 EDCDRO COc1ccc(N2CC[C@H](C[NH+]=c3cc[nH]cc3C(N)=O)C2)cc1 ZINC000819936755 593778162 /nfs/dbraw/zinc/77/81/62/593778162.db2.gz WTLFKMFTJKOJJR-CYBMUJFWSA-N 1 0 326.400 1.549 20 10 EDCDRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824608407 594046831 /nfs/dbraw/zinc/04/68/31/594046831.db2.gz GSYSWXHHKMSPAT-KRWDZBQOSA-N 1 0 338.473 1.316 20 10 EDCDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CC1 ZINC000830544352 594418654 /nfs/dbraw/zinc/41/86/54/594418654.db2.gz ORUWPENWZQHNEQ-HOCLYGCPSA-N 1 0 338.835 1.897 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)cc2=O ZINC000830572469 594425341 /nfs/dbraw/zinc/42/53/41/594425341.db2.gz IFTCWLMGAXOILM-SCDSUCTJSA-N 1 0 330.388 1.890 20 10 EDCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000828987809 594543841 /nfs/dbraw/zinc/54/38/41/594543841.db2.gz FKJZXNYBLBEBIQ-INIZCTEOSA-N 1 0 333.432 1.430 20 10 EDCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469374 594675197 /nfs/dbraw/zinc/67/51/97/594675197.db2.gz WAMGHAMVMFVKCD-GOEBONIOSA-N 1 0 346.475 1.393 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ncc3ccccc32)cc1 ZINC000832271988 594739467 /nfs/dbraw/zinc/73/94/67/594739467.db2.gz BKBXEUVGOICBQY-QGZVFWFLSA-N 1 0 337.427 1.919 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000832292783 594740631 /nfs/dbraw/zinc/74/06/31/594740631.db2.gz MQWUMNNQERIQHL-ZDUSSCGKSA-N 1 0 331.376 1.429 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCOC[C@H]2CCCO2)cc1 ZINC000832299746 594741124 /nfs/dbraw/zinc/74/11/24/594741124.db2.gz HFVSZRJFDXERCX-IAGOWNOFSA-N 1 0 335.448 1.454 20 10 EDCDRO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(N2CCCCC2)cc1 ZINC000840807578 594817281 /nfs/dbraw/zinc/81/72/81/594817281.db2.gz SHIFQZMGIMZRNJ-CRAIPNDOSA-N 1 0 329.448 1.980 20 10 EDCDRO O=C(NCCCN1CC[NH2+]CC1)NCc1ccc(N2CCCC2)cc1 ZINC000841709335 594941228 /nfs/dbraw/zinc/94/12/28/594941228.db2.gz DOLGLQVNZSWNTF-UHFFFAOYSA-N 1 0 345.491 1.381 20 10 EDCDRO CC(C)([NH3+])CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000841717730 594942616 /nfs/dbraw/zinc/94/26/16/594942616.db2.gz LNXNEYZBTGPSQK-UHFFFAOYSA-N 1 0 338.427 1.323 20 10 EDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](C)[N@H+]1C ZINC000836249887 594943268 /nfs/dbraw/zinc/94/32/68/594943268.db2.gz RUWFTHNTRSDUSW-IYBDPMFKSA-N 1 0 346.475 1.757 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841729366 594944730 /nfs/dbraw/zinc/94/47/30/594944730.db2.gz DXGUTYCAAYXMCZ-AEFFLSMTSA-N 1 0 344.459 1.417 20 10 EDCDRO C[C@@H](NC(=O)N1CCC(C[NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000841742647 594946594 /nfs/dbraw/zinc/94/65/94/594946594.db2.gz YVOSQXQWQIBGCF-OAHLLOKOSA-N 1 0 346.475 1.965 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000841760814 594948223 /nfs/dbraw/zinc/94/82/23/594948223.db2.gz LVRYPZBVAHUWTD-CYBMUJFWSA-N 1 0 330.354 1.688 20 10 EDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000841831212 594959237 /nfs/dbraw/zinc/95/92/37/594959237.db2.gz CVXOLUFGHGVASI-WMZOPIPTSA-N 1 0 326.444 1.956 20 10 EDCDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000841892262 594975116 /nfs/dbraw/zinc/97/51/16/594975116.db2.gz WAFZTDDVVJJSLS-DLBZAZTESA-N 1 0 333.476 1.410 20 10 EDCDRO CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841944254 594986988 /nfs/dbraw/zinc/98/69/88/594986988.db2.gz XMTPVZYOFFWOKG-QGZVFWFLSA-N 1 0 334.464 1.648 20 10 EDCDRO [NH3+]C1(CNC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000841967150 594991146 /nfs/dbraw/zinc/99/11/46/594991146.db2.gz NJOJLWGYRWTAPH-UHFFFAOYSA-N 1 0 328.210 1.835 20 10 EDCDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000842091498 595015967 /nfs/dbraw/zinc/01/59/67/595015967.db2.gz DKWKAFUDBWDMQH-WDEREUQCSA-N 1 0 342.490 1.128 20 10 EDCDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842111610 595017739 /nfs/dbraw/zinc/01/77/39/595017739.db2.gz FFZHJDANFUQGBT-UHFFFAOYSA-N 1 0 346.475 1.164 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000842203568 595037459 /nfs/dbraw/zinc/03/74/59/595037459.db2.gz UVLSNVFLFMMMJK-HEHGZKQESA-N 1 0 332.448 1.126 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc1F ZINC000842210395 595040619 /nfs/dbraw/zinc/04/06/19/595040619.db2.gz ZWAPEUNFSKDLJH-UHFFFAOYSA-N 1 0 338.427 1.142 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000842240533 595050634 /nfs/dbraw/zinc/05/06/34/595050634.db2.gz QZZSSPFWUSZLDV-OAHLLOKOSA-N 1 0 333.432 1.389 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000842251962 595056039 /nfs/dbraw/zinc/05/60/39/595056039.db2.gz VOSFOEBTQUQTDZ-INIZCTEOSA-N 1 0 334.464 1.201 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000842262724 595058591 /nfs/dbraw/zinc/05/85/91/595058591.db2.gz GXAVMZWRGMYCKG-MRXNPFEDSA-N 1 0 347.459 1.765 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000843299853 595066537 /nfs/dbraw/zinc/06/65/37/595066537.db2.gz XZMZHVBPPSOLSR-CQSZACIVSA-N 1 0 331.376 1.429 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCNC(=O)C(C)(C)C)cc1 ZINC000843299058 595066766 /nfs/dbraw/zinc/06/67/66/595066766.db2.gz QQUXONKGOAKWOF-OAHLLOKOSA-N 1 0 334.464 1.421 20 10 EDCDRO COc1cc(Cl)cc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1O ZINC000843428735 595108783 /nfs/dbraw/zinc/10/87/83/595108783.db2.gz MSEUHZJWVMYTOW-LLVKDONJSA-N 1 0 341.839 1.606 20 10 EDCDRO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846194167 595170785 /nfs/dbraw/zinc/17/07/85/595170785.db2.gz LVOULKPCIBMESV-KSSFIOAISA-N 1 0 338.423 1.854 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)N2CCCCC2)cc1 ZINC000842784355 595197622 /nfs/dbraw/zinc/19/76/22/595197622.db2.gz IGKKHEXWZRJDPE-HNNXBMFYSA-N 1 0 326.466 1.073 20 10 EDCDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834803453 595217091 /nfs/dbraw/zinc/21/70/91/595217091.db2.gz UBKXZLNCSPBUAQ-ZIAGYGMSSA-N 1 0 339.461 1.240 20 10 EDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843066081 595279156 /nfs/dbraw/zinc/27/91/56/595279156.db2.gz SBGWJBXXZVKOED-IBGZPJMESA-N 1 0 336.476 1.772 20 10 EDCDRO Cc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000844164657 595288475 /nfs/dbraw/zinc/28/84/75/595288475.db2.gz KXPXZXDMOYVAOG-UHFFFAOYSA-N 1 0 341.459 1.466 20 10 EDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174356 595291886 /nfs/dbraw/zinc/29/18/86/595291886.db2.gz XMYOIFUGNGGBRV-CQSZACIVSA-N 1 0 331.460 1.652 20 10 EDCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Br)ccc1O ZINC000843123532 595292430 /nfs/dbraw/zinc/29/24/30/595292430.db2.gz LSZNVDJJSQBGEJ-LBPRGKRZSA-N 1 0 343.221 1.492 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC000844225454 595309312 /nfs/dbraw/zinc/30/93/12/595309312.db2.gz AVNZFCFCFUCCFQ-KRWDZBQOSA-N 1 0 338.455 1.759 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000844400620 595337361 /nfs/dbraw/zinc/33/73/61/595337361.db2.gz DGOGUFANEHWITC-KDURUIRLSA-N 1 0 333.476 1.926 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000848429582 595377491 /nfs/dbraw/zinc/37/74/91/595377491.db2.gz SFLSSLMVZBDDGI-UHFFFAOYSA-N 1 0 344.459 1.113 20 10 EDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844969789 595421569 /nfs/dbraw/zinc/42/15/69/595421569.db2.gz WFDBMUQBNZARRM-AWEZNQCLSA-N 1 0 341.839 1.956 20 10 EDCDRO CCc1cccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1O ZINC000848881951 595462300 /nfs/dbraw/zinc/46/23/00/595462300.db2.gz UPDFHQFMECGIMI-UHFFFAOYSA-N 1 0 340.427 1.771 20 10 EDCDRO C[C@H]1CN(C(=[NH2+])NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000849095954 595481268 /nfs/dbraw/zinc/48/12/68/595481268.db2.gz UJUYRVNCALHBAA-ZDUSSCGKSA-N 1 0 336.411 1.407 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](Cc3ccccc3)C(N)=O)C2)cc1 ZINC000849321716 595506117 /nfs/dbraw/zinc/50/61/17/595506117.db2.gz KTWRRMHEGJLMSP-LPHOPBHVSA-N 1 0 339.439 1.960 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)cc1 ZINC000852844367 595571945 /nfs/dbraw/zinc/57/19/45/595571945.db2.gz TUKRDFLGPSYYBR-LBPRGKRZSA-N 1 0 341.415 1.073 20 10 EDCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868432 595587608 /nfs/dbraw/zinc/58/76/08/595587608.db2.gz FJEOOMINQRAVOK-KRWDZBQOSA-N 1 0 335.448 1.016 20 10 EDCDRO [NH3+]Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000852868776 595588590 /nfs/dbraw/zinc/58/85/90/595588590.db2.gz NILMRYDZQDENCE-UHFFFAOYSA-N 1 0 329.400 1.629 20 10 EDCDRO COc1cccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1O ZINC000858306964 595759570 /nfs/dbraw/zinc/75/95/70/595759570.db2.gz XFGIGRIKXROMRR-KRWDZBQOSA-N 1 0 343.427 1.786 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(OCCO)CCOC2)c2c1c(F)ccc2O ZINC000850507943 595846679 /nfs/dbraw/zinc/84/66/79/595846679.db2.gz LGJNZZCDPORMJG-BTJLNZGRSA-N 1 0 325.380 1.837 20 10 EDCDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cccc3nonc31)CCC2 ZINC000858622713 595848176 /nfs/dbraw/zinc/84/81/76/595848176.db2.gz KCASHUNWQNEAGW-UHFFFAOYSA-N 1 0 344.396 1.823 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)c3ccnc(C[NH3+])c3)C2)cc1 ZINC000851639407 595864438 /nfs/dbraw/zinc/86/44/38/595864438.db2.gz GDKJGTAOVUPYGE-AWEZNQCLSA-N 1 0 326.400 1.558 20 10 EDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851666334 595876021 /nfs/dbraw/zinc/87/60/21/595876021.db2.gz GNDKYFAWEZMFDT-UONOGXRCSA-N 1 0 334.464 1.573 20 10 EDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1[NH3+] ZINC000851679585 595882243 /nfs/dbraw/zinc/88/22/43/595882243.db2.gz DIABQAVQHFZTNY-KDOFPFPSSA-N 1 0 346.475 1.526 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000861640361 596054289 /nfs/dbraw/zinc/05/42/89/596054289.db2.gz KIURWDDTDGPDGU-JSGCOSHPSA-N 1 0 344.381 1.980 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000861677354 596064996 /nfs/dbraw/zinc/06/49/96/596064996.db2.gz SKSKLZXWFCCIRK-ZWKOTPCHSA-N 1 0 346.475 1.805 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861792941 596104883 /nfs/dbraw/zinc/10/48/83/596104883.db2.gz VFTAOMBPJLRVGL-INIZCTEOSA-N 1 0 345.443 1.532 20 10 EDCDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852424392 596153945 /nfs/dbraw/zinc/15/39/45/596153945.db2.gz CLQHRHYQJJVRPH-MAUKXSAKSA-N 1 0 333.476 1.852 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857086504 596154705 /nfs/dbraw/zinc/15/47/05/596154705.db2.gz LERJRQZUSSMEON-APWZRJJASA-N 1 0 330.476 1.524 20 10 EDCDRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(N(C)C)cc1 ZINC000866555839 596250239 /nfs/dbraw/zinc/25/02/39/596250239.db2.gz OONJFDGOMPXYKB-KSSFIOAISA-N 1 0 333.432 1.031 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@H](Cn2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864626675 596288792 /nfs/dbraw/zinc/28/87/92/596288792.db2.gz SZQAVMNHBAASJN-SFHVURJKSA-N 1 0 345.447 1.796 20 10 EDCDRO C[NH+](C)CCn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000866771810 596335202 /nfs/dbraw/zinc/33/52/02/596335202.db2.gz YLBAFPDUDXUFNU-UHFFFAOYSA-N 1 0 342.443 1.959 20 10 EDCDRO Cc1cc(N(C)C)ccc1CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000863642712 596641295 /nfs/dbraw/zinc/64/12/95/596641295.db2.gz WAVOUVOILMONSE-UHFFFAOYSA-N 1 0 345.491 1.204 20 10 EDCDRO CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000868296461 596773047 /nfs/dbraw/zinc/77/30/47/596773047.db2.gz ZBQFSLWKLACMKE-UHFFFAOYSA-N 1 0 332.448 1.834 20 10 EDCDRO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000872709363 597040854 /nfs/dbraw/zinc/04/08/54/597040854.db2.gz MICMJPRNWGVCJG-GOSISDBHSA-N 1 0 330.384 1.775 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)C2)cc1 ZINC000876931686 597388824 /nfs/dbraw/zinc/38/88/24/597388824.db2.gz RXDNGDFVYSTNOF-JKIFEVAISA-N 1 0 335.423 1.585 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@]3(OC)CCOC3)CC2)cc1 ZINC000876979855 597403948 /nfs/dbraw/zinc/40/39/48/597403948.db2.gz BCXWACFBIIGWRA-IBGZPJMESA-N 1 0 349.475 1.212 20 10 EDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000877518588 597529817 /nfs/dbraw/zinc/52/98/17/597529817.db2.gz SWYNBSPSHSTFCT-ZFWWWQNUSA-N 1 0 326.462 1.898 20 10 EDCDRO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877559951 597535869 /nfs/dbraw/zinc/53/58/69/597535869.db2.gz AZLVUWMOVRTGRP-QHCPKHFHSA-N 1 0 339.457 1.977 20 10 EDCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCOC1 ZINC000877588878 597539405 /nfs/dbraw/zinc/53/94/05/597539405.db2.gz AZYOESOBSQKWPB-VQIMIIECSA-N 1 0 334.460 1.525 20 10 EDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000877640868 597543611 /nfs/dbraw/zinc/54/36/11/597543611.db2.gz GWOUVUUXVIWXMM-KOMQPUFPSA-N 1 0 329.400 1.981 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCOC3)cc2)CC1 ZINC000883168202 597674416 /nfs/dbraw/zinc/67/44/16/597674416.db2.gz RRUDOGCNVSGTKT-KRWDZBQOSA-N 1 0 346.475 1.664 20 10 EDCDRO C[C@@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)c2c1c(F)ccc2O ZINC000883350521 597722836 /nfs/dbraw/zinc/72/28/36/597722836.db2.gz IFWQZQYELJKFEP-TZMCWYRMSA-N 1 0 326.412 1.610 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN[C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)cc1 ZINC000883442486 597748676 /nfs/dbraw/zinc/74/86/76/597748676.db2.gz MDBBOKVJFRJEQS-IAGOWNOFSA-N 1 0 346.475 1.059 20 10 EDCDRO COCCOCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851272 597754337 /nfs/dbraw/zinc/75/43/37/597754337.db2.gz HGVRMCFUOKLUPH-UHFFFAOYSA-N 1 0 335.448 1.108 20 10 EDCDRO CNc1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000881851706 597754516 /nfs/dbraw/zinc/75/45/16/597754516.db2.gz ZMECPBUYWAHCOB-UHFFFAOYSA-N 1 0 345.472 1.867 20 10 EDCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000883461100 597757547 /nfs/dbraw/zinc/75/75/47/597757547.db2.gz NSDZSGNBUHPQRZ-DOTOQJQBSA-N 1 0 346.475 1.663 20 10 EDCDRO COC(=O)c1cc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000884010803 597967611 /nfs/dbraw/zinc/96/76/11/597967611.db2.gz LZUQQJREMDBPLL-AWEZNQCLSA-N 1 0 345.399 1.870 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCc3nncn3CC2)cc1 ZINC000884011323 597967646 /nfs/dbraw/zinc/96/76/46/597967646.db2.gz ZQEAKHNPURKGCL-GDBMZVCRSA-N 1 0 342.447 1.113 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nonc3C)C[C@@H]2C)cc1C ZINC000939861500 699985010 /nfs/dbraw/zinc/98/50/10/699985010.db2.gz PVOZILCWCHHTGH-SWLSCSKDSA-N 1 0 344.415 1.945 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C)cc1C ZINC000939044469 699101236 /nfs/dbraw/zinc/10/12/36/699101236.db2.gz JAPVTGVNUCVLSQ-DZGCQCFKSA-N 1 0 345.443 1.206 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000182414338 700769168 /nfs/dbraw/zinc/76/91/68/700769168.db2.gz ZZLXZHYXEGJBQH-QWHCGFSZSA-N 1 0 342.461 1.723 20 10 EDCDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000922536157 703939600 /nfs/dbraw/zinc/93/96/00/703939600.db2.gz QRTMSYRTOWLZBY-FQEVSTJZSA-N 1 0 342.439 1.842 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)cc1C ZINC000999893289 707487047 /nfs/dbraw/zinc/48/70/47/707487047.db2.gz HZRWDLADKWXSAH-CVEARBPZSA-N 1 0 345.443 1.220 20 10 EDCDRO C[N@@H+]1CCN(CCNC(=O)NCc2c(O)cccc2F)CC1(C)C ZINC000922348455 711244524 /nfs/dbraw/zinc/24/45/24/711244524.db2.gz UDNZGLLZJUEDJL-UHFFFAOYSA-N 1 0 338.427 1.357 20 10 EDCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000093321097 237019596 /nfs/dbraw/zinc/01/95/96/237019596.db2.gz MBTGIHSXRRMNSX-UHFFFAOYSA-N 1 0 342.461 1.647 20 10 EDCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C[C@@H]1C ZINC000372445220 250219643 /nfs/dbraw/zinc/21/96/43/250219643.db2.gz FEYOEZXYVBRLPP-GJZGRUSLSA-N 1 0 346.475 1.275 20 10 EDCDRO Nc1ccc(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000378211270 250298332 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CCONC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000171580567 442358826 /nfs/dbraw/zinc/35/88/26/442358826.db2.gz RSWFHFYHLQBUNV-UHFFFAOYSA-N 1 0 336.436 1.458 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 ZINC000182392678 442763450 /nfs/dbraw/zinc/76/34/50/442763450.db2.gz CNSXMJJPEHCWEW-IUODEOHRSA-N 1 0 344.415 1.899 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000268810485 443115973 /nfs/dbraw/zinc/11/59/73/443115973.db2.gz IREKMEZMAFJPGU-MRXNPFEDSA-N 1 0 343.475 1.902 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000278905415 443472582 /nfs/dbraw/zinc/47/25/82/443472582.db2.gz PVKXJWJKLHFGMD-QGZVFWFLSA-N 1 0 337.489 1.753 20 10 EDCDRO CN(C)c1ccc(CN2CCCC[C@@H]2CNS(C)(=O)=O)cc1F ZINC000271082406 443489751 /nfs/dbraw/zinc/48/97/51/443489751.db2.gz RMUHWLXTFSCHCO-CQSZACIVSA-N 1 0 343.468 1.795 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)cc1C ZINC000275418462 443627262 /nfs/dbraw/zinc/62/72/62/443627262.db2.gz DMQGBAQWADYEFX-MRXNPFEDSA-N 1 0 342.443 1.856 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275644679 443635338 /nfs/dbraw/zinc/63/53/38/443635338.db2.gz KGXWKWPAYDSAFZ-AWEZNQCLSA-N 1 0 343.431 1.479 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000272383663 443608958 /nfs/dbraw/zinc/60/89/58/443608958.db2.gz GAMNZOSPZXNRAF-GQCTYLIASA-N 1 0 346.427 1.872 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCO[C@](C)(CC)C1)cc2=O ZINC000275989096 443648197 /nfs/dbraw/zinc/64/81/97/443648197.db2.gz FXPUMPLUTCRJLC-QGZVFWFLSA-N 1 0 348.403 1.613 20 10 EDCDRO CC[C@]1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]C1 ZINC000325101061 444362508 /nfs/dbraw/zinc/36/25/08/444362508.db2.gz SKZAKDVECFZSBU-IBGZPJMESA-N 1 0 331.460 1.871 20 10 EDCDRO O=C1NC[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@@H]12 ZINC000365661705 446291453 /nfs/dbraw/zinc/29/14/53/446291453.db2.gz RGHPFWYWVIRLMJ-ZYHUDNBSSA-N 1 0 325.206 1.723 20 10 EDCDRO Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1O ZINC000370616933 446360416 /nfs/dbraw/zinc/36/04/16/446360416.db2.gz COMLTNNTMXDFGN-WMLDXEAASA-N 1 0 328.416 1.743 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000366984976 446444718 /nfs/dbraw/zinc/44/47/18/446444718.db2.gz YWKJVKQKUMGGHW-QGZVFWFLSA-N 1 0 331.460 1.911 20 10 EDCDRO CC[C@@]1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC[NH2+]C1 ZINC000370847679 446478658 /nfs/dbraw/zinc/47/86/58/446478658.db2.gz SZPLBRQWEDJOND-GOSISDBHSA-N 1 0 335.423 1.873 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000367722401 446579459 /nfs/dbraw/zinc/57/94/59/446579459.db2.gz LMTYEWMCNSXUQY-CQSZACIVSA-N 1 0 326.418 1.057 20 10 EDCDRO CCOC(=O)CN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000371569225 446932962 /nfs/dbraw/zinc/93/29/62/446932962.db2.gz LEVDFQJXDBRISS-FNORWQNLSA-N 1 0 348.399 1.208 20 10 EDCDRO Cc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1O ZINC000371665322 446946051 /nfs/dbraw/zinc/94/60/51/446946051.db2.gz LTPLKDQEXGZSCG-ZDUSSCGKSA-N 1 0 333.432 1.305 20 10 EDCDRO CN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccc(F)cc21 ZINC000592961618 449085560 /nfs/dbraw/zinc/08/55/60/449085560.db2.gz PYMFPEHUVHFJED-LBPRGKRZSA-N 1 0 343.406 1.955 20 10 EDCDRO CN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2cccnc21 ZINC000592964786 449088552 /nfs/dbraw/zinc/08/85/52/449088552.db2.gz MYHCDHKYCCKAIH-LBPRGKRZSA-N 1 0 326.404 1.211 20 10 EDCDRO C[C@H](CO)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000298539351 524542575 /nfs/dbraw/zinc/54/25/75/524542575.db2.gz MXFYIHDKKNCATR-OAHLLOKOSA-N 1 0 333.476 1.994 20 10 EDCDRO COc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000759879413 580017799 /nfs/dbraw/zinc/01/77/99/580017799.db2.gz VEUYPRYBTGOWRN-CQSZACIVSA-N 1 0 336.432 1.871 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+](CCO)CC2)c1 ZINC000732465639 578714118 /nfs/dbraw/zinc/71/41/18/578714118.db2.gz FERPVSCZZJQBNL-LBPRGKRZSA-N 1 0 337.420 1.218 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](CCO)C1)cc2=O ZINC000735871827 578930977 /nfs/dbraw/zinc/93/09/77/578930977.db2.gz XRZACLVVTIGDGB-GFCCVEGCSA-N 1 0 348.403 1.206 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC(F)C3)cc2F)CC1 ZINC000753172601 579874100 /nfs/dbraw/zinc/87/41/00/579874100.db2.gz OHAFGCIBIQTUAX-UHFFFAOYSA-N 1 0 338.402 1.831 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C3CCC3)CC2)cc1 ZINC000754051971 579894986 /nfs/dbraw/zinc/89/49/86/579894986.db2.gz WXHUNXJHBDSVCO-SFHVURJKSA-N 1 0 333.476 1.662 20 10 EDCDRO CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756407642 579949575 /nfs/dbraw/zinc/94/95/75/579949575.db2.gz DTSKCAOQOGVDQD-OAHLLOKOSA-N 1 0 349.475 1.857 20 10 EDCDRO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756408295 579949649 /nfs/dbraw/zinc/94/96/49/579949649.db2.gz MBIGMOYDBMVPIX-CQSZACIVSA-N 1 0 336.436 1.979 20 10 EDCDRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000762724638 580081641 /nfs/dbraw/zinc/08/16/41/580081641.db2.gz UYHRKQUVYJESPR-SFHVURJKSA-N 1 0 328.416 1.286 20 10 EDCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000763468316 580100520 /nfs/dbraw/zinc/10/05/20/580100520.db2.gz WNOSITJJQZYULM-IBGZPJMESA-N 1 0 334.460 1.790 20 10 EDCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000766436101 580166924 /nfs/dbraw/zinc/16/69/24/580166924.db2.gz GERWNWNIMCLGIG-CJNGLKHVSA-N 1 0 335.423 1.934 20 10 EDCDRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000768342919 580211148 /nfs/dbraw/zinc/21/11/48/580211148.db2.gz SQRGDXDEUHJQNE-ZDUSSCGKSA-N 1 0 332.853 1.949 20 10 EDCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768446448 580213231 /nfs/dbraw/zinc/21/32/31/580213231.db2.gz KJDLNGIQRSLWRT-RHSMWYFYSA-N 1 0 346.427 1.795 20 10 EDCDRO OCC[N@H+](CCOCC(F)(F)F)Cc1cc2c(cc1O)OCO2 ZINC000769390304 580235470 /nfs/dbraw/zinc/23/54/70/580235470.db2.gz SZMRLNIJODDAKU-UHFFFAOYSA-N 1 0 337.294 1.494 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775665932 580396656 /nfs/dbraw/zinc/39/66/56/580396656.db2.gz OGQYOFHFNMYGLS-MOPGFXCFSA-N 1 0 342.487 1.681 20 10 EDCDRO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)CN1CCOCC1 ZINC000775713424 580398192 /nfs/dbraw/zinc/39/81/92/580398192.db2.gz NJFQGMVEMQLHPE-ZDUSSCGKSA-N 1 0 332.803 1.310 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000775736615 580399086 /nfs/dbraw/zinc/39/90/86/580399086.db2.gz CBPHXWPWRZGGAT-VQTJNVASSA-N 1 0 345.487 1.818 20 10 EDCDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000775829526 580402108 /nfs/dbraw/zinc/40/21/08/580402108.db2.gz ZKTLDMFCUVCITJ-WBMJQRKESA-N 1 0 333.392 1.569 20 10 EDCDRO CCOc1cccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000776229705 580412100 /nfs/dbraw/zinc/41/21/00/580412100.db2.gz AMZZGMXSOQISBC-HNNXBMFYSA-N 1 0 334.416 1.660 20 10 EDCDRO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776976813 580432042 /nfs/dbraw/zinc/43/20/42/580432042.db2.gz ZFPIJABDTNTKIB-CQSZACIVSA-N 1 0 333.411 1.995 20 10 EDCDRO C[C@]1(c2ccc(C[NH2+]Cc3cc(F)ccc3O)cc2)NC(=O)NC1=O ZINC000779067878 580478700 /nfs/dbraw/zinc/47/87/00/580478700.db2.gz SDODJFUDVUIXKG-GOSISDBHSA-N 1 0 343.358 1.876 20 10 EDCDRO CC[C@H]1C(=O)N(CC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779214614 580481281 /nfs/dbraw/zinc/48/12/81/580481281.db2.gz CKWDOWUGOJEYMA-IBGZPJMESA-N 1 0 344.503 1.881 20 10 EDCDRO CN(C)c1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)c(C(F)(F)F)c1 ZINC000793082924 580835448 /nfs/dbraw/zinc/83/54/48/580835448.db2.gz RDVTWNCJJFNPII-HNNXBMFYSA-N 1 0 331.382 1.928 20 10 EDCDRO CO[C@@]1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCSC1 ZINC000893606967 591005083 /nfs/dbraw/zinc/00/50/83/591005083.db2.gz BTRWJUQZVQQQPY-SFHVURJKSA-N 1 0 349.500 1.577 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)cc[nH]2)[NH+](C)C)cc1 ZINC000891243764 591013618 /nfs/dbraw/zinc/01/36/18/591013618.db2.gz UXJGAUZQPYMPML-KRWDZBQOSA-N 1 0 328.416 1.474 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2ccnn2C)[NH+](C)C)cc1 ZINC000891249462 591018279 /nfs/dbraw/zinc/01/82/79/591018279.db2.gz STSQXTIYMZVEEX-GOSISDBHSA-N 1 0 343.475 1.838 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)C2CCOCC2)[NH+](C)C)cc1 ZINC000891254125 591020701 /nfs/dbraw/zinc/02/07/01/591020701.db2.gz VTKZEUCSAPYFFI-ROUUACIJSA-N 1 0 349.475 1.259 20 10 EDCDRO COC(=O)NCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252350 591021045 /nfs/dbraw/zinc/02/10/45/591021045.db2.gz JQWXJUGYKRHNOH-HNNXBMFYSA-N 1 0 336.436 1.218 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C2CC2)cc1 ZINC000895634257 591232937 /nfs/dbraw/zinc/23/29/37/591232937.db2.gz XTKFJDISKKEIPX-LJQANCHMSA-N 1 0 343.471 1.964 20 10 EDCDRO CCN(C)C(=O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894490812 591324765 /nfs/dbraw/zinc/32/47/65/591324765.db2.gz HFKBQWQYYYPMEP-UHFFFAOYSA-N 1 0 335.379 1.672 20 10 EDCDRO CO[C@H](C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCOC1 ZINC000898449686 591353071 /nfs/dbraw/zinc/35/30/71/591353071.db2.gz JETNFOVJEHQDNK-BHIYHBOVSA-N 1 0 335.492 1.996 20 10 EDCDRO CNC(=O)c1ccc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000897526032 591530210 /nfs/dbraw/zinc/53/02/10/591530210.db2.gz XITJZSXLAUFTGH-INIZCTEOSA-N 1 0 342.447 1.617 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]CC(=O)N(C)OC)c1O ZINC000895041183 591536844 /nfs/dbraw/zinc/53/68/44/591536844.db2.gz KGYGOCQVXCHTRY-UHFFFAOYSA-N 1 0 333.182 1.273 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H](O)C2)[NH+](C)C)cc1 ZINC000899097848 591678313 /nfs/dbraw/zinc/67/83/13/591678313.db2.gz HVDLBIVNVNOMOZ-XOKHGSTOSA-N 1 0 334.464 1.425 20 10 EDCDRO C[C@@H](CCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101821 591682718 /nfs/dbraw/zinc/68/27/18/591682718.db2.gz MOJSLTHGMVMVBF-WMLDXEAASA-N 1 0 336.480 1.673 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@]23C[C@H]2COC3)[NH+](C)C)cc1 ZINC000899098030 591687928 /nfs/dbraw/zinc/68/79/28/591687928.db2.gz KQVXZFUJFUUNPQ-ZVZYQTTQSA-N 1 0 332.448 1.443 20 10 EDCDRO COCCN1[C@H](C)CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C ZINC000898186306 591827245 /nfs/dbraw/zinc/82/72/45/591827245.db2.gz NKAKXACAEGVUGR-PHIMTYICSA-N 1 0 326.368 1.418 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000898359810 591871934 /nfs/dbraw/zinc/87/19/34/591871934.db2.gz UPDSHVWLULTQDB-DZGCQCFKSA-N 1 0 339.411 1.431 20 10 EDCDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@@H](CCF)C2=O)[NH+](C)C)cc1 ZINC000900185820 591933312 /nfs/dbraw/zinc/93/33/12/591933312.db2.gz SFJLXOFAEFCANF-GJZGRUSLSA-N 1 0 336.411 1.635 20 10 EDCDRO O=C(N(Cc1ccccc1O)C[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC000901177796 592278245 /nfs/dbraw/zinc/27/82/45/592278245.db2.gz UWCXGMMXLSYZNU-MRXNPFEDSA-N 1 0 330.428 1.996 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](CC(=O)[O-])C3)cc2)CC1 ZINC000901501348 592376418 /nfs/dbraw/zinc/37/64/18/592376418.db2.gz GLKSEHSBZPCOQE-KRWDZBQOSA-N 1 0 333.432 1.114 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@](C)(O)C(F)F)CC2)cc1 ZINC000905072140 592402539 /nfs/dbraw/zinc/40/25/39/592402539.db2.gz RFEGPMMOXAFVEK-QGZVFWFLSA-N 1 0 343.418 1.423 20 10 EDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)C2(C)CC2)[NH+](C)C)cc1 ZINC000908460188 592501237 /nfs/dbraw/zinc/50/12/37/592501237.db2.gz OCDYTMZRGJXSCW-HNNXBMFYSA-N 1 0 325.478 1.827 20 10 EDCDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cccc(Br)c1O ZINC000907757727 592780031 /nfs/dbraw/zinc/78/00/31/592780031.db2.gz JGXFHYGXAFQVSF-YGRLFVJLSA-N 1 0 343.221 1.226 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)cc1 ZINC000911231196 592971074 /nfs/dbraw/zinc/97/10/74/592971074.db2.gz XVJRVCUAEGYHJS-INIZCTEOSA-N 1 0 346.475 1.346 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000806821866 593118830 /nfs/dbraw/zinc/11/88/30/593118830.db2.gz SDKMATODFJFDMN-HNNXBMFYSA-N 1 0 334.464 1.269 20 10 EDCDRO C[C@H]1NC(=O)N(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000838895236 593235928 /nfs/dbraw/zinc/23/59/28/593235928.db2.gz MBSYAODVFDJUIS-UKRRQHHQSA-N 1 0 347.415 1.314 20 10 EDCDRO COc1cccc(O)c1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839164680 593269249 /nfs/dbraw/zinc/26/92/49/593269249.db2.gz 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593707940 /nfs/dbraw/zinc/70/79/40/593707940.db2.gz ISJJXWHIGUBIPB-GJZGRUSLSA-N 1 0 333.432 1.016 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000818656494 593710647 /nfs/dbraw/zinc/71/06/47/593710647.db2.gz VXERPNDSUHKXRZ-HZPDHXFCSA-N 1 0 346.475 1.963 20 10 EDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)CN(C)C3CC3)C2)cc1 ZINC000819378928 593752601 /nfs/dbraw/zinc/75/26/01/593752601.db2.gz AFHUNPVXUOSLPN-QAPCUYQASA-N 1 0 333.476 1.566 20 10 EDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1C[C@@H](O)C1 ZINC000821487240 593845190 /nfs/dbraw/zinc/84/51/90/593845190.db2.gz QQZVEKBFBITXCX-IZAXUBKRSA-N 1 0 343.471 1.606 20 10 EDCDRO OCCCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824584279 594042508 /nfs/dbraw/zinc/04/25/08/594042508.db2.gz ZZHSZZSOLRRKAN-GOSISDBHSA-N 1 0 333.476 1.460 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccnc(F)c3)CC1)OCO2 ZINC000824806014 594077463 /nfs/dbraw/zinc/07/74/63/594077463.db2.gz XQQGVRNXEORLBD-UHFFFAOYSA-N 1 0 331.347 1.977 20 10 EDCDRO CCN1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000824887296 594091062 /nfs/dbraw/zinc/09/10/62/594091062.db2.gz UDKWRKVWNIINHB-NSHDSACASA-N 1 0 343.221 1.874 20 10 EDCDRO COc1cc(Cl)cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1O ZINC000824925866 594098361 /nfs/dbraw/zinc/09/83/61/594098361.db2.gz GXUWOSFKQOODNZ-TXEJJXNPSA-N 1 0 328.840 1.941 20 10 EDCDRO C[C@H](O)CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)F ZINC000825098173 594129818 /nfs/dbraw/zinc/12/98/18/594129818.db2.gz BVQYGHLKMSVWBM-AWEZNQCLSA-N 1 0 327.419 1.886 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000823230340 594173015 /nfs/dbraw/zinc/17/30/15/594173015.db2.gz ITZJIHZQAINGKU-OAHLLOKOSA-N 1 0 346.475 1.915 20 10 EDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000828437254 594420098 /nfs/dbraw/zinc/42/00/98/594420098.db2.gz LZHDCGOEFMYAOO-MRXNPFEDSA-N 1 0 346.475 1.278 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@]2(COC)CC[NH2+]C2)cc1F ZINC000829038395 594555042 /nfs/dbraw/zinc/55/50/42/594555042.db2.gz GGRMRBXHINHSAO-GOSISDBHSA-N 1 0 337.439 1.914 20 10 EDCDRO C[C@@]1(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000831119031 594561499 /nfs/dbraw/zinc/56/14/99/594561499.db2.gz HTKUHKPAVIVTFB-GOSISDBHSA-N 1 0 332.448 1.199 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC34CC[NH2+]CC4)C2)cc1 ZINC000831193582 594578701 /nfs/dbraw/zinc/57/87/01/594578701.db2.gz NJOWHZWPBKYRKA-YOEHRIQHSA-N 1 0 344.459 1.715 20 10 EDCDRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000829436437 594613162 /nfs/dbraw/zinc/61/31/62/594613162.db2.gz PTDZVARJLOHPPY-UHFFFAOYSA-N 1 0 333.432 1.203 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)COC3CC[NH2+]CC3)CC2)cc1 ZINC000827459094 594674199 /nfs/dbraw/zinc/67/41/99/594674199.db2.gz TXEFOVMYLCUJDN-UHFFFAOYSA-N 1 0 347.459 1.503 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3c(cn2)OCCO3)cc1 ZINC000832267320 594739109 /nfs/dbraw/zinc/73/91/09/594739109.db2.gz QKZQCPGXLUWPDX-CQSZACIVSA-N 1 0 342.399 1.349 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC000832273463 594739670 /nfs/dbraw/zinc/73/96/70/594739670.db2.gz OEEAXPHVXXRGRN-UCMJJCQDSA-N 1 0 345.443 1.110 20 10 EDCDRO CC(C)CCn1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nn1 ZINC000832274620 594739696 /nfs/dbraw/zinc/73/96/96/594739696.db2.gz WHVLCYYYBPFHHI-INIZCTEOSA-N 1 0 344.463 1.820 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000832279884 594739906 /nfs/dbraw/zinc/73/99/06/594739906.db2.gz MIOUVASAEBHECK-AWEZNQCLSA-N 1 0 345.359 1.191 20 10 EDCDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832285126 594740316 /nfs/dbraw/zinc/74/03/16/594740316.db2.gz OHQXEVNIZBWGFE-CYBMUJFWSA-N 1 0 346.391 1.307 20 10 EDCDRO COc1ccccc1OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293358 594740771 /nfs/dbraw/zinc/74/07/71/594740771.db2.gz VLBYOWXBXJUTKG-MRXNPFEDSA-N 1 0 343.427 1.956 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000840918714 594827723 /nfs/dbraw/zinc/82/77/23/594827723.db2.gz ZTSVSSFXRTXRBK-UHFFFAOYSA-N 1 0 341.459 1.477 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000841717967 594942590 /nfs/dbraw/zinc/94/25/90/594942590.db2.gz OVDQCOXMYVEOJJ-UHFFFAOYSA-N 1 0 332.448 1.417 20 10 EDCDRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1O ZINC000841747249 594947510 /nfs/dbraw/zinc/94/75/10/594947510.db2.gz DVWNBKLKLXKOGT-LLVKDONJSA-N 1 0 348.852 1.358 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)N(CC[NH3+])CCO)cc1F ZINC000841799571 594954854 /nfs/dbraw/zinc/95/48/54/594954854.db2.gz XYCOZHUSQUUMQA-UHFFFAOYSA-N 1 0 326.416 1.135 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC[NH2+]C1CC1 ZINC000841918672 594981484 /nfs/dbraw/zinc/98/14/84/594981484.db2.gz TVMCLVVPWXVKER-UHFFFAOYSA-N 1 0 346.475 1.807 20 10 EDCDRO O=C(NCC[NH2+]C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841930605 594983838 /nfs/dbraw/zinc/98/38/38/594983838.db2.gz VFWAHGFUDCCVIM-MRXNPFEDSA-N 1 0 333.432 1.835 20 10 EDCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957793 594989863 /nfs/dbraw/zinc/98/98/63/594989863.db2.gz DPFJFOBGPFEENU-HNNXBMFYSA-N 1 0 346.475 1.706 20 10 EDCDRO C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842203129 595036892 /nfs/dbraw/zinc/03/68/92/595036892.db2.gz PCXLIDZPFWTXQK-ZDUSSCGKSA-N 1 0 334.464 1.373 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203520 595037569 /nfs/dbraw/zinc/03/75/69/595037569.db2.gz UBVPQYMGYITDCW-KGLIPLIRSA-N 1 0 332.448 1.046 20 10 EDCDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203314 595037573 /nfs/dbraw/zinc/03/75/73/595037573.db2.gz QVQAOHAPLZGAPB-DZKIICNBSA-N 1 0 346.475 1.516 20 10 EDCDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842212540 595041392 /nfs/dbraw/zinc/04/13/92/595041392.db2.gz HJGKFRAUYWGPNF-MRXNPFEDSA-N 1 0 344.459 1.100 20 10 EDCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000842225052 595044355 /nfs/dbraw/zinc/04/43/55/595044355.db2.gz GPPNNSOOVOMBGZ-RDJZCZTQSA-N 1 0 326.412 1.274 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000842226154 595044756 /nfs/dbraw/zinc/04/47/56/595044756.db2.gz MSCRUGPSFYBZTG-UHFFFAOYSA-N 1 0 333.432 1.389 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000842231435 595046429 /nfs/dbraw/zinc/04/64/29/595046429.db2.gz BDFRQSWPKCFJAN-MRXNPFEDSA-N 1 0 346.475 1.359 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000843259455 595055248 /nfs/dbraw/zinc/05/52/48/595055248.db2.gz OOMHSOWEGXNNNX-UONOGXRCSA-N 1 0 334.464 1.391 20 10 EDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000843260123 595056145 /nfs/dbraw/zinc/05/61/45/595056145.db2.gz UULWZQBOJQBLQI-KBPBESRZSA-N 1 0 332.448 1.145 20 10 EDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000843263888 595057694 /nfs/dbraw/zinc/05/76/94/595057694.db2.gz MOGSHHMGZMWLMI-KGLIPLIRSA-N 1 0 346.475 1.486 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000842267286 595061070 /nfs/dbraw/zinc/06/10/70/595061070.db2.gz XKHPJAGXZLXZJH-RHSMWYFYSA-N 1 0 346.475 1.215 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842274285 595062674 /nfs/dbraw/zinc/06/26/74/595062674.db2.gz KISJVICSBMVBMC-HOTGVXAUSA-N 1 0 346.475 1.345 20 10 EDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC(=O)NC1CCCC1 ZINC000843349633 595083228 /nfs/dbraw/zinc/08/32/28/595083228.db2.gz GZPCOIPFZYRQFJ-UHFFFAOYSA-N 1 0 330.432 1.666 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000843489120 595127100 /nfs/dbraw/zinc/12/71/00/595127100.db2.gz FSYVROZLAMHJEB-ZDUSSCGKSA-N 1 0 344.415 1.553 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000843489417 595128083 /nfs/dbraw/zinc/12/80/83/595128083.db2.gz NJMZGOGZUUCCSI-NSHDSACASA-N 1 0 340.807 1.547 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)CO[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000843506307 595135048 /nfs/dbraw/zinc/13/50/48/595135048.db2.gz LXOAQXMEDAAUGR-CRAIPNDOSA-N 1 0 347.459 1.406 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000846142451 595155617 /nfs/dbraw/zinc/15/56/17/595155617.db2.gz TZZGVEIRKUDEMW-RYUDHWBXSA-N 1 0 328.434 1.475 20 10 EDCDRO CCN(CC1CC1)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784156 595197342 /nfs/dbraw/zinc/19/73/42/595197342.db2.gz BZDGVOUTDIMTHX-MRXNPFEDSA-N 1 0 340.493 1.319 20 10 EDCDRO Cc1cc(CS(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)on1 ZINC000842784866 595197370 /nfs/dbraw/zinc/19/73/70/595197370.db2.gz MRRVVWZTTZCBTN-HNNXBMFYSA-N 1 0 338.433 1.168 20 10 EDCDRO C[C@@H]1C[C@H](S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000842785488 595198164 /nfs/dbraw/zinc/19/81/64/595198164.db2.gz NXFKSOULLOYZHS-DAXOMENPSA-N 1 0 341.477 1.239 20 10 EDCDRO CN(C)C(=O)CN1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835037584 595251155 /nfs/dbraw/zinc/25/11/55/595251155.db2.gz QHAQAMPABHVXHC-AATRIKPKSA-N 1 0 344.503 1.908 20 10 EDCDRO Cn1cc(N2CCC[C@H](N3CCCc4cc(C[NH3+])ccc43)C2=O)cn1 ZINC000844218528 595305160 /nfs/dbraw/zinc/30/51/60/595305160.db2.gz BSHWJCAPVBGIKR-SFHVURJKSA-N 1 0 339.443 1.827 20 10 EDCDRO Cn1[nH]cnc1=NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000846752923 595313035 /nfs/dbraw/zinc/31/30/35/595313035.db2.gz WJTLVLCLFQBCLJ-UHFFFAOYSA-N 1 0 326.448 1.381 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCc3nccn3C2)cc1 ZINC000848393300 595372819 /nfs/dbraw/zinc/37/28/19/595372819.db2.gz YAJXVXBESSYTJL-GOEBONIOSA-N 1 0 327.432 1.328 20 10 EDCDRO COc1ccc(N2CCN(C(=O)c3conc3C(C)(C)[NH3+])CC2)cc1 ZINC000848407439 595374672 /nfs/dbraw/zinc/37/46/72/595374672.db2.gz ORGZZFUMIXZHGT-UHFFFAOYSA-N 1 0 344.415 1.839 20 10 EDCDRO CCOC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCOCC1 ZINC000852791461 595545017 /nfs/dbraw/zinc/54/50/17/595545017.db2.gz HUZPUEXGAWASGW-INIZCTEOSA-N 1 0 335.448 1.454 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000850601337 595547383 /nfs/dbraw/zinc/54/73/83/595547383.db2.gz FQYHVGCRONPCTK-UHFFFAOYSA-N 1 0 346.475 1.121 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000852806138 595550560 /nfs/dbraw/zinc/55/05/60/595550560.db2.gz RPXLLLFNJBJVJY-MSOLQXFVSA-N 1 0 346.475 1.061 20 10 EDCDRO [NH3+]C[C@H]1CC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)=NO1 ZINC000852882504 595597047 /nfs/dbraw/zinc/59/70/47/595597047.db2.gz JBEUDFKPJZBIRA-ZIAGYGMSSA-N 1 0 333.388 1.003 20 10 EDCDRO CC[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC[NH2+]1 ZINC000852916874 595613442 /nfs/dbraw/zinc/61/34/42/595613442.db2.gz RXWQOWJMNZMFPN-LJQANCHMSA-N 1 0 331.460 1.796 20 10 EDCDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(O)c1O ZINC000855200534 595623814 /nfs/dbraw/zinc/62/38/14/595623814.db2.gz DOAODKYOIKGVOR-UHFFFAOYSA-N 1 0 334.416 1.719 20 10 EDCDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853200630 595700631 /nfs/dbraw/zinc/70/06/31/595700631.db2.gz MTQWPMCYBLOJFV-OAHLLOKOSA-N 1 0 334.464 1.915 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000853244196 595717961 /nfs/dbraw/zinc/71/79/61/595717961.db2.gz GUNKOZNADLIKLQ-GOSISDBHSA-N 1 0 346.475 1.493 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C(=O)N(C)OC)c1O ZINC000858320338 595763738 /nfs/dbraw/zinc/76/37/38/595763738.db2.gz SZQZSHGFDQKUEE-QMMMGPOBSA-N 1 0 347.209 1.661 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C2)cc1 ZINC000851641506 595865302 /nfs/dbraw/zinc/86/53/02/595865302.db2.gz NZLNUDBKSBFIPG-PBHICJAKSA-N 1 0 335.448 1.390 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3=CC[NH2+]CC3)C2)cc1 ZINC000851664231 595874808 /nfs/dbraw/zinc/87/48/08/595874808.db2.gz URUBZKQWDTYNMU-OAHLLOKOSA-N 1 0 330.432 1.493 20 10 EDCDRO [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851683013 595883734 /nfs/dbraw/zinc/88/37/34/595883734.db2.gz ZOORAPHLNOPVBN-OAHLLOKOSA-N 1 0 332.448 1.138 20 10 EDCDRO CCOC(=O)C[C@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000859085705 595971724 /nfs/dbraw/zinc/97/17/24/595971724.db2.gz BOWYLCZXUANEFL-INIZCTEOSA-N 1 0 336.432 1.521 20 10 EDCDRO O=C(C[NH+](C1CC1)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000859622212 596149599 /nfs/dbraw/zinc/14/95/99/596149599.db2.gz CIXMNKVWNNVBJP-UHFFFAOYSA-N 1 0 347.434 1.905 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1C(C)C ZINC000116870054 596151124 /nfs/dbraw/zinc/15/11/24/596151124.db2.gz UQUIQOOCYUKILI-AWEZNQCLSA-N 1 0 326.462 1.948 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000852503323 596184531 /nfs/dbraw/zinc/18/45/31/596184531.db2.gz SNHOUELWAWUSBJ-HXUWFJFHSA-N 1 0 345.487 1.948 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(C(=O)[O-])CCCOC3)cc2)CC1 ZINC000864525299 596253753 /nfs/dbraw/zinc/25/37/53/596253753.db2.gz WBTHTVXDMAPJNX-LJQANCHMSA-N 1 0 347.459 1.409 20 10 EDCDRO COc1c(O)c(C[NH2+][C@H]2CCN(C3CCC3)C2=O)ccc1[N+](=O)[O-] ZINC000862550770 596344832 /nfs/dbraw/zinc/34/48/32/596344832.db2.gz HPWPYHKAEDITTC-LBPRGKRZSA-N 1 0 335.360 1.552 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000863339676 596556168 /nfs/dbraw/zinc/55/61/68/596556168.db2.gz FIJQHKFXCWNYEJ-CYBMUJFWSA-N 1 0 338.473 1.642 20 10 EDCDRO CCOCc1cc(CNCc2nc(C[NH3+])cc(=O)[nH]2)ccc1OC ZINC000863648725 596644639 /nfs/dbraw/zinc/64/46/39/596644639.db2.gz FUUFNQIKPRNBTD-UHFFFAOYSA-N 1 0 332.404 1.476 20 10 EDCDRO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1O ZINC000868309414 596782354 /nfs/dbraw/zinc/78/23/54/596782354.db2.gz IEYIKWVRUAHRTQ-GFCCVEGCSA-N 1 0 339.395 1.854 20 10 EDCDRO COc1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1Cn1cccn1 ZINC000873020031 597162546 /nfs/dbraw/zinc/16/25/46/597162546.db2.gz BNMJXYWOXBTSKS-GOSISDBHSA-N 1 0 344.459 1.486 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1Cn1cccn1 ZINC000873122783 597203411 /nfs/dbraw/zinc/20/34/11/597203411.db2.gz WFPAOWNZQCHDCX-CXAGYDPISA-N 1 0 328.416 1.554 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cnn3c2CCCC3)cc1 ZINC000876507169 597224649 /nfs/dbraw/zinc/22/46/49/597224649.db2.gz XEDDGXCKZUYIQK-QGZVFWFLSA-N 1 0 341.459 1.644 20 10 EDCDRO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc(C)cc3O)CC2)no1 ZINC000876556669 597239390 /nfs/dbraw/zinc/23/93/90/597239390.db2.gz WKRVLTHVFIRBRO-UHFFFAOYSA-N 1 0 344.415 1.753 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000875006383 597241400 /nfs/dbraw/zinc/24/14/00/597241400.db2.gz JDQJGYROAOSJBG-UHFFFAOYSA-N 1 0 346.475 1.312 20 10 EDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000876577353 597246770 /nfs/dbraw/zinc/24/67/70/597246770.db2.gz WPVJEGVTWZNWCG-UHFFFAOYSA-N 1 0 326.400 1.517 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000875048530 597260195 /nfs/dbraw/zinc/26/01/95/597260195.db2.gz UCHKOWDXCKIARG-KRWDZBQOSA-N 1 0 348.491 1.772 20 10 EDCDRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(C)cc2O)C1 ZINC000876678242 597285251 /nfs/dbraw/zinc/28/52/51/597285251.db2.gz JMKLSYPRWHVHFD-INIZCTEOSA-N 1 0 348.443 1.934 20 10 EDCDRO COc1ccc(N2CCN(C(=O)/C=C\[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000876708526 597297323 /nfs/dbraw/zinc/29/73/23/597297323.db2.gz SHTXRSXLARDHGN-VCELZJIISA-N 1 0 329.444 1.900 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(C[NH3+])nc1 ZINC000876714468 597301000 /nfs/dbraw/zinc/30/10/00/597301000.db2.gz YPJNVQQBAHCBMJ-UHFFFAOYSA-N 1 0 341.415 1.044 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876730361 597310396 /nfs/dbraw/zinc/31/03/96/597310396.db2.gz HWSUYJIJFKHAEK-MJGOQNOKSA-N 1 0 347.434 1.811 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)c2c(C[NH3+])cnn2C)cc1F ZINC000876755247 597323747 /nfs/dbraw/zinc/32/37/47/597323747.db2.gz IFQWWYLLHREPLM-UHFFFAOYSA-N 1 0 333.411 1.794 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000873861871 597423631 /nfs/dbraw/zinc/42/36/31/597423631.db2.gz IRJISODGJATBTF-KRWDZBQOSA-N 1 0 331.460 1.823 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)c(OC)c1 ZINC000877227007 597466817 /nfs/dbraw/zinc/46/68/17/597466817.db2.gz ACEVRFHGRPHGDK-GFCCVEGCSA-N 1 0 343.374 1.335 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CC3([NH3+])CCC3)CC2)c(OC)c1 ZINC000877227495 597467754 /nfs/dbraw/zinc/46/77/54/597467754.db2.gz KTHJJZVYUJYAKA-UHFFFAOYSA-N 1 0 333.432 1.624 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)c(OC)c1 ZINC000877227558 597467866 /nfs/dbraw/zinc/46/78/66/597467866.db2.gz LUAUMFXCCKAULG-HNNXBMFYSA-N 1 0 347.459 1.742 20 10 EDCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000877514316 597528961 /nfs/dbraw/zinc/52/89/61/597528961.db2.gz JMCXDSFGQACGQX-CQSZACIVSA-N 1 0 326.462 1.804 20 10 EDCDRO COc1cc(O)c(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1OC ZINC000877675614 597547085 /nfs/dbraw/zinc/54/70/85/597547085.db2.gz SQDOPNUYARVDHW-ZDUSSCGKSA-N 1 0 346.309 1.894 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](C(C)(C)C)C3=O)cc2)CC1 ZINC000877884416 597561885 /nfs/dbraw/zinc/56/18/85/597561885.db2.gz WZICRMIPCRCYRB-MRXNPFEDSA-N 1 0 344.459 1.905 20 10 EDCDRO COc1cc(O)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000131826593 597746744 /nfs/dbraw/zinc/74/67/44/597746744.db2.gz LMZRGZATQDCVRX-HNNXBMFYSA-N 1 0 339.355 1.855 20 10 EDCDRO Cn1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC000881851750 597754429 /nfs/dbraw/zinc/75/44/29/597754429.db2.gz PSGSQQAEGHFQAR-UHFFFAOYSA-N 1 0 340.427 1.067 20 10 EDCDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000881853169 597754994 /nfs/dbraw/zinc/75/49/94/597754994.db2.gz MEOHASOBJLXFKT-UHFFFAOYSA-N 1 0 325.416 1.467 20 10 EDCDRO CCn1ccc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881853096 597755134 /nfs/dbraw/zinc/75/51/34/597755134.db2.gz JCPPFRLSMCTVEX-UHFFFAOYSA-N 1 0 341.459 1.514 20 10 EDCDRO Cc1nn(C)cc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853330 597756023 /nfs/dbraw/zinc/75/60/23/597756023.db2.gz RKDNDWCOQAFJIQ-UHFFFAOYSA-N 1 0 341.459 1.339 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]c(=S)[nH]3)cc2)CC1 ZINC000881853614 597756131 /nfs/dbraw/zinc/75/61/31/597756131.db2.gz CJTREBUWLAHRRT-UHFFFAOYSA-N 1 0 331.445 1.380 20 10 EDCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000883461101 597757130 /nfs/dbraw/zinc/75/71/30/597757130.db2.gz NSDZSGNBUHPQRZ-NVXWUHKLSA-N 1 0 346.475 1.663 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccon3)cc2)CC1 ZINC000883490239 597773257 /nfs/dbraw/zinc/77/32/57/597773257.db2.gz IEOCRXUJVCSPSW-UHFFFAOYSA-N 1 0 329.404 1.426 20 10 EDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000883580060 597810927 /nfs/dbraw/zinc/81/09/27/597810927.db2.gz SHJRZYRRYUTUAZ-NVXWUHKLSA-N 1 0 346.475 1.805 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3COC(C)(C)C3)cc2)CC1 ZINC000883769418 597894614 /nfs/dbraw/zinc/89/46/14/597894614.db2.gz TVFIIMWXTJKRQK-INIZCTEOSA-N 1 0 346.475 1.805 20 10 EDCDRO CSc1nccnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010505 597967876 /nfs/dbraw/zinc/96/78/76/597967876.db2.gz DXFWQOBYKGKYAU-ZDUSSCGKSA-N 1 0 331.445 1.694 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2C)cc1C ZINC000939856556 699995406 /nfs/dbraw/zinc/99/54/06/699995406.db2.gz OHFLXLVGXPCLRM-DOTOQJQBSA-N 1 0 342.443 1.837 20 10 EDCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)CC(N)=O)CC2)cc1C ZINC000997623277 703919747 /nfs/dbraw/zinc/91/97/47/703919747.db2.gz IBJHUWLXOBAEPO-UHFFFAOYSA-N 1 0 333.432 1.207 20 10 EDCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3nccn3)C2)cc1C ZINC000998834155 706264017 /nfs/dbraw/zinc/26/40/17/706264017.db2.gz AAVKWLCMHSJLPI-UHFFFAOYSA-N 1 0 343.431 1.374 20 10 EDCDRO COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809697 708105353 /nfs/dbraw/zinc/10/53/53/708105353.db2.gz DTUNGENOBKIFSY-UGFHNGPFSA-N 1 0 345.403 1.783 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000252653403 249319600 /nfs/dbraw/zinc/31/96/00/249319600.db2.gz YTRGFEOQRNFBGF-PKOBYXMFSA-N 1 0 344.503 1.785 20 10 EDCDRO CN1CCc2cc(CNC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)ccc21 ZINC000372466859 250221178 /nfs/dbraw/zinc/22/11/78/250221178.db2.gz RFAWZHKIWQASTG-YJBOKZPZSA-N 1 0 328.460 1.915 20 10 EDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375256981 250281441 /nfs/dbraw/zinc/28/14/41/250281441.db2.gz WLRVYLUYOOAEMY-QUCCMNQESA-N 1 0 343.471 1.511 20 10 EDCDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCN4C)C2=O)n1 ZINC000378251792 250298198 /nfs/dbraw/zinc/29/81/98/250298198.db2.gz NAVIDZFXTJGZCT-HNNXBMFYSA-N 1 0 325.416 1.308 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000124498151 533479456 /nfs/dbraw/zinc/47/94/56/533479456.db2.gz JAFRMIVFLPWZMJ-HNNXBMFYSA-N 1 0 334.416 1.472 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1F ZINC000378344259 447419958 /nfs/dbraw/zinc/41/99/58/447419958.db2.gz YTKGHDOKVAFMGO-SFHVURJKSA-N 1 0 348.422 1.702 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000092530015 441806707 /nfs/dbraw/zinc/80/67/07/441806707.db2.gz UQWLKUVQZAPMAN-UHFFFAOYSA-N 1 0 342.461 1.647 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150808208 441954314 /nfs/dbraw/zinc/95/43/14/441954314.db2.gz LGLKEPHRORNWLG-SFHVURJKSA-N 1 0 344.503 1.787 20 10 EDCDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cc(Br)ccc1O ZINC000186235050 442493441 /nfs/dbraw/zinc/49/34/41/442493441.db2.gz VMHLBBSKJNLQKM-JTQLQIEISA-N 1 0 343.221 1.664 20 10 EDCDRO C[C@@H]1C[NH+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC000180616467 442634857 /nfs/dbraw/zinc/63/48/57/442634857.db2.gz MQRMIFIJTKWMJN-VTGPQGOBSA-N 1 0 334.416 1.727 20 10 EDCDRO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)N1 ZINC000193465166 442745297 /nfs/dbraw/zinc/74/52/97/442745297.db2.gz PJXMZOSEQLSKDD-IBGZPJMESA-N 1 0 342.443 1.851 20 10 EDCDRO Cc1c([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cnn1C ZINC000183389971 442926620 /nfs/dbraw/zinc/92/66/20/442926620.db2.gz UVNJBVMYFHDWPC-CYBMUJFWSA-N 1 0 329.448 1.762 20 10 EDCDRO C[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[C@@H]1[NH+](C)C ZINC000266141741 443033489 /nfs/dbraw/zinc/03/34/89/443033489.db2.gz FSBQAFQXLCPNQB-GZWGRDOWSA-N 1 0 343.471 1.945 20 10 EDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000236892339 443151356 /nfs/dbraw/zinc/15/13/56/443151356.db2.gz AMDKMFZUPFGELV-SJCJKPOMSA-N 1 0 337.439 1.776 20 10 EDCDRO C[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000269254082 443251984 /nfs/dbraw/zinc/25/19/84/443251984.db2.gz HBFINMAMMTZJIJ-ZSSMVNRLSA-N 1 0 329.444 1.732 20 10 EDCDRO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278393986 443317072 /nfs/dbraw/zinc/31/70/72/443317072.db2.gz NFBCBYRDCSWPTG-LBPRGKRZSA-N 1 0 326.349 1.546 20 10 EDCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000282976689 443485495 /nfs/dbraw/zinc/48/54/95/443485495.db2.gz DCVWCTPTEXTXBU-KBPBESRZSA-N 1 0 335.448 1.546 20 10 EDCDRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(N(C)C)cc1 ZINC000278864203 443466934 /nfs/dbraw/zinc/46/69/34/443466934.db2.gz NKDDQLYIXVVKNB-QGZVFWFLSA-N 1 0 348.491 1.735 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1F ZINC000275602478 443633174 /nfs/dbraw/zinc/63/31/74/443633174.db2.gz QMKQIRZDPNLTHA-ZDUSSCGKSA-N 1 0 345.422 1.539 20 10 EDCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283457721 443638691 /nfs/dbraw/zinc/63/86/91/443638691.db2.gz KUUQVUAIRXZWGK-HNNXBMFYSA-N 1 0 346.475 1.359 20 10 EDCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286465526 443711839 /nfs/dbraw/zinc/71/18/39/443711839.db2.gz KHFURSDBRBMLCM-CQSZACIVSA-N 1 0 334.464 1.167 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000286606090 443717515 /nfs/dbraw/zinc/71/75/15/443717515.db2.gz XNKDNAUHEYRXLK-OAHLLOKOSA-N 1 0 348.491 1.558 20 10 EDCDRO c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000284843030 443789927 /nfs/dbraw/zinc/78/99/27/443789927.db2.gz PWLJUSGSEJPMLK-ZWKOTPCHSA-N 1 0 327.432 1.998 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC ZINC000292835441 443855015 /nfs/dbraw/zinc/85/50/15/443855015.db2.gz RQMCTLUHOUDVKY-MLGOLLRUSA-N 1 0 343.445 1.855 20 10 EDCDRO Cc1cc(CN2CC[NH+](CCC(=O)N(C)C)CC2)ccc1N(C)C ZINC000292906102 443874838 /nfs/dbraw/zinc/87/48/38/443874838.db2.gz WLBWRHONWJVNBI-UHFFFAOYSA-N 1 0 332.492 1.657 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000296367386 444224297 /nfs/dbraw/zinc/22/42/97/444224297.db2.gz SMKSDZFHRXXUMR-CGTJXYLNSA-N 1 0 331.460 1.772 20 10 EDCDRO NC(=O)C1(N2CCN(C(=O)c3cccc(O)c3O)CC2)CCCCC1 ZINC000370041470 446177315 /nfs/dbraw/zinc/17/73/15/446177315.db2.gz QOCKFWSHWZEYLG-UHFFFAOYSA-N 1 0 347.415 1.044 20 10 EDCDRO CCC[NH+]1CCN(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000366326675 446152829 /nfs/dbraw/zinc/15/28/29/446152829.db2.gz RKRZSELSASUWCE-UHFFFAOYSA-N 1 0 344.503 1.830 20 10 EDCDRO CC[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(C)cc1O ZINC000366417018 446200952 /nfs/dbraw/zinc/20/09/52/446200952.db2.gz HKYNVNCFIDLOMM-HNNXBMFYSA-N 1 0 330.436 1.934 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000365830002 446360053 /nfs/dbraw/zinc/36/00/53/446360053.db2.gz DRVJQSWQCSRDNZ-QGZVFWFLSA-N 1 0 327.432 1.512 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1C1CC1)cc2=O ZINC000377542221 447193541 /nfs/dbraw/zinc/19/35/41/447193541.db2.gz FODITWQYFZSQFF-CQSZACIVSA-N 1 0 330.388 1.986 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1F ZINC000298027918 520905509 /nfs/dbraw/zinc/90/55/09/520905509.db2.gz FNMUMPJEPFTAEU-UHFFFAOYSA-N 1 0 346.472 1.158 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000041980946 524424928 /nfs/dbraw/zinc/42/49/28/524424928.db2.gz SHXQVTLTEHWTEM-SFHVURJKSA-N 1 0 347.459 1.503 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCO3)cc2F)CC1 ZINC000106702128 529153093 /nfs/dbraw/zinc/15/30/93/529153093.db2.gz JYGBQLWDYQCDIS-QGZVFWFLSA-N 1 0 335.423 1.763 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3ccnc3)nn2)c1 ZINC000728978612 578555307 /nfs/dbraw/zinc/55/53/07/578555307.db2.gz KBSBWDIBHPPWPM-NSHDSACASA-N 1 0 339.355 1.868 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)CC2)cc1 ZINC000730420240 578648115 /nfs/dbraw/zinc/64/81/15/578648115.db2.gz UKJJTQJMVHMYAU-MRXNPFEDSA-N 1 0 349.475 1.435 20 10 EDCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C)cc(OC)c3O)C2)nn1 ZINC000760540351 580033210 /nfs/dbraw/zinc/03/32/10/580033210.db2.gz IGBXNAQYTUCPJO-ZDUSSCGKSA-N 1 0 346.387 1.534 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000761227031 580052229 /nfs/dbraw/zinc/05/22/29/580052229.db2.gz ZAGYSQXTSKWAEX-CYBMUJFWSA-N 1 0 346.387 1.616 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@H](C)C3=O)cc2F)CC1 ZINC000777640506 580447296 /nfs/dbraw/zinc/44/72/96/580447296.db2.gz FVOYLARHHGERRS-GFCCVEGCSA-N 1 0 334.395 1.408 20 10 EDCDRO O=C(NCC[NH+]1CCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000752648468 579863011 /nfs/dbraw/zinc/86/30/11/579863011.db2.gz GBKWOTUYOIKEGA-UHFFFAOYSA-N 1 0 336.411 1.167 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3ccnc3C)CC2)cc1 ZINC000754073951 579895633 /nfs/dbraw/zinc/89/56/33/579895633.db2.gz DZJZNLUOXOGLAP-QGZVFWFLSA-N 1 0 330.432 1.383 20 10 EDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000759173891 580000174 /nfs/dbraw/zinc/00/01/74/580000174.db2.gz QOGIFPREAXNGSC-AEFFLSMTSA-N 1 0 338.423 1.946 20 10 EDCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465505 580214084 /nfs/dbraw/zinc/21/40/84/580214084.db2.gz IEVHYYBGLRYQAS-KSSFIOAISA-N 1 0 332.444 1.982 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC3COC3)CC2)cc1 ZINC000769674676 580242535 /nfs/dbraw/zinc/24/25/35/580242535.db2.gz DMRIKTJMLWEJKJ-UHFFFAOYSA-N 1 0 347.459 1.360 20 10 EDCDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000771656342 580291718 /nfs/dbraw/zinc/29/17/18/580291718.db2.gz DBHMHHINPILAGG-YVZNUBBCSA-N 1 0 333.432 1.253 20 10 EDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000771978172 580299985 /nfs/dbraw/zinc/29/99/85/580299985.db2.gz JTGBBBGWWJDNRX-SFHVURJKSA-N 1 0 331.391 1.881 20 10 EDCDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000773101218 580326993 /nfs/dbraw/zinc/32/69/93/580326993.db2.gz AUACFSROVVRZLX-QWHCGFSZSA-N 1 0 344.452 1.746 20 10 EDCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000775206097 580385675 /nfs/dbraw/zinc/38/56/75/580385675.db2.gz UOMCMWUVHYVHKO-IUODEOHRSA-N 1 0 329.824 1.891 20 10 EDCDRO COC(=O)[C@@]1(F)CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735804 580399021 /nfs/dbraw/zinc/39/90/21/580399021.db2.gz XXNHQHCMXFQONS-GOSISDBHSA-N 1 0 335.423 1.525 20 10 EDCDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000775741835 580399230 /nfs/dbraw/zinc/39/92/30/580399230.db2.gz RHICDDGTRBPSCN-INIZCTEOSA-N 1 0 339.388 1.155 20 10 EDCDRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835194 580402241 /nfs/dbraw/zinc/40/22/41/580402241.db2.gz FZUWQXJICFQTHV-CQSZACIVSA-N 1 0 328.478 1.855 20 10 EDCDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)C1 ZINC000779517660 580487763 /nfs/dbraw/zinc/48/77/63/580487763.db2.gz DBSGVDMPSAXXLB-GMNBZTITSA-N 1 0 345.443 1.349 20 10 EDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@]2(CCOC2)O1 ZINC000794695493 580903175 /nfs/dbraw/zinc/90/31/75/580903175.db2.gz QZMVAGGAAPHRBA-CRAIPNDOSA-N 1 0 335.400 1.588 20 10 EDCDRO C=CC(=O)N(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246627 591016756 /nfs/dbraw/zinc/01/67/56/591016756.db2.gz CPBBBYAXTHXFOF-INIZCTEOSA-N 1 0 332.448 1.116 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)[NH+](C)C)cc1 ZINC000891248415 591017014 /nfs/dbraw/zinc/01/70/14/591017014.db2.gz LLCUVVJEAJWKFV-JKSUJKDBSA-N 1 0 332.448 1.092 20 10 EDCDRO Cc1nonc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248474 591017153 /nfs/dbraw/zinc/01/71/53/591017153.db2.gz NDANCZYEJOFTRD-INIZCTEOSA-N 1 0 331.420 1.406 20 10 EDCDRO Cc1nn(C)cc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248902 591018804 /nfs/dbraw/zinc/01/88/04/591018804.db2.gz OKEMHVIPHPEDFI-SFHVURJKSA-N 1 0 343.475 1.756 20 10 EDCDRO Cc1nnccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252715 591020545 /nfs/dbraw/zinc/02/05/45/591020545.db2.gz MWSSBWHFYXRTET-QGZVFWFLSA-N 1 0 327.432 1.884 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)ccc21 ZINC000892491745 591047731 /nfs/dbraw/zinc/04/77/31/591047731.db2.gz GYSKVSKWQQIPIK-WMZOPIPTSA-N 1 0 328.460 1.915 20 10 EDCDRO COc1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c(O)c1 ZINC000892798767 591181777 /nfs/dbraw/zinc/18/17/77/591181777.db2.gz JHZOWPMLHGEYPX-INIZCTEOSA-N 1 0 341.411 1.915 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC000892857198 591205389 /nfs/dbraw/zinc/20/53/89/591205389.db2.gz TXPOLIVJTCIZCH-DOTOQJQBSA-N 1 0 334.464 1.834 20 10 EDCDRO CSCCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894541252 591337872 /nfs/dbraw/zinc/33/78/72/591337872.db2.gz WAMVTZSYQCCMKT-OAHLLOKOSA-N 1 0 340.493 1.949 20 10 EDCDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450252 591353400 /nfs/dbraw/zinc/35/34/00/591353400.db2.gz PIYBKQPZPGSRMW-CJNGLKHVSA-N 1 0 327.494 1.378 20 10 EDCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c1O ZINC000894903201 591467124 /nfs/dbraw/zinc/46/71/24/591467124.db2.gz OHCJUCOQCAIJPN-UHFFFAOYSA-N 1 0 343.445 1.393 20 10 EDCDRO COC(=O)c1c(C[NH2+]C[C@]2(C)CCC(=O)N2)c2cc(F)ccc2n1C ZINC000894967730 591501860 /nfs/dbraw/zinc/50/18/60/591501860.db2.gz QSPPDZWPTCKGKT-SFHVURJKSA-N 1 0 347.390 1.862 20 10 EDCDRO CN(C)c1ccc([C@@H](CNc2nccn3cnnc23)[NH+](C)C)cc1 ZINC000897525502 591528988 /nfs/dbraw/zinc/52/89/88/591528988.db2.gz PGLGYNKRZCWMHH-OAHLLOKOSA-N 1 0 325.420 1.905 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NC2CC(CCO)C2)[NH+](C)C)cc1 ZINC000899096880 591677260 /nfs/dbraw/zinc/67/72/60/591677260.db2.gz WIUYZJKAMOWFKF-PVARCSIZSA-N 1 0 348.491 1.816 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H]2CCO)[NH+](C)C)cc1 ZINC000899099302 591689009 /nfs/dbraw/zinc/68/90/09/591689009.db2.gz YMRWQZICLXFKDF-ZWKOTPCHSA-N 1 0 348.491 1.912 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000896954108 591693744 /nfs/dbraw/zinc/69/37/44/591693744.db2.gz JBUKOCBHQMGAPO-AGUYFDCRSA-N 1 0 325.430 1.907 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000898358321 591889447 /nfs/dbraw/zinc/88/94/47/591889447.db2.gz DHGBOFREDGYBLB-DZGCQCFKSA-N 1 0 338.404 1.330 20 10 EDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517385 592009244 /nfs/dbraw/zinc/00/92/44/592009244.db2.gz LJGLEOHHSPEUIT-HHXXYDBFSA-N 1 0 334.508 1.712 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1OC ZINC000902645204 592037039 /nfs/dbraw/zinc/03/70/39/592037039.db2.gz RXMUMWYTMXVINI-GJZGRUSLSA-N 1 0 336.432 1.440 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)cc1F ZINC000905104059 592408210 /nfs/dbraw/zinc/40/82/10/592408210.db2.gz DFFHYRAZSWIJHH-QGZVFWFLSA-N 1 0 340.439 1.664 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905293682 592486710 /nfs/dbraw/zinc/48/67/10/592486710.db2.gz WJKISVGGKXODTM-IPELMVKDSA-N 1 0 336.476 1.484 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000911225208 592968895 /nfs/dbraw/zinc/96/88/95/592968895.db2.gz CUVJIDUOHXRGAF-GDBMZVCRSA-N 1 0 346.475 1.578 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@](C)(O)C(F)(F)F)cc1 ZINC000911667724 592974535 /nfs/dbraw/zinc/97/45/35/592974535.db2.gz RDDAMTINJPHZMG-TZMCWYRMSA-N 1 0 333.354 1.572 20 10 EDCDRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807672983 593189120 /nfs/dbraw/zinc/18/91/20/593189120.db2.gz LARKWDOIBNAZIM-HNNXBMFYSA-N 1 0 348.491 1.778 20 10 EDCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839574522 593341442 /nfs/dbraw/zinc/34/14/42/593341442.db2.gz HTKIDMLKZMKESK-RKVPGOIHSA-N 1 0 333.476 1.850 20 10 EDCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839574524 593341571 /nfs/dbraw/zinc/34/15/71/593341571.db2.gz HTKIDMLKZMKESK-RVKKMQEKSA-N 1 0 333.476 1.850 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)C1(OC)CCC1)cc2=O ZINC000839660590 593358617 /nfs/dbraw/zinc/35/86/17/593358617.db2.gz MWJZKIVIBCOTBY-LLVKDONJSA-N 1 0 348.403 1.659 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(O)c1 ZINC000816642276 593537092 /nfs/dbraw/zinc/53/70/92/593537092.db2.gz VFAPWFKFZYTGMZ-HNNXBMFYSA-N 1 0 332.404 1.712 20 10 EDCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000814170699 593577107 /nfs/dbraw/zinc/57/71/07/593577107.db2.gz ATLDGMZRRJIQKY-ZDUSSCGKSA-N 1 0 328.434 1.257 20 10 EDCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893170 593646077 /nfs/dbraw/zinc/64/60/77/593646077.db2.gz FMAOWIJFDLXGSH-QFBILLFUSA-N 1 0 347.503 1.752 20 10 EDCDRO COc1ccc(N2CCN(CCN[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817895649 593646353 /nfs/dbraw/zinc/64/63/53/593646353.db2.gz WOYYTWRTQUZEJD-APWZRJJASA-N 1 0 332.492 1.405 20 10 EDCDRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000817918050 593648380 /nfs/dbraw/zinc/64/83/80/593648380.db2.gz GSHLRLIQOQLNLA-GDBMZVCRSA-N 1 0 346.475 1.154 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000817974937 593652960 /nfs/dbraw/zinc/65/29/60/593652960.db2.gz OLTBRCLSRPKVBC-CQSZACIVSA-N 1 0 333.432 1.341 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000817989854 593654120 /nfs/dbraw/zinc/65/41/20/593654120.db2.gz RXSHMAWOIHTZBE-INIZCTEOSA-N 1 0 332.448 1.051 20 10 EDCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(C(N)=O)CC3)C2)cc1 ZINC000818221854 593685205 /nfs/dbraw/zinc/68/52/05/593685205.db2.gz OFHZPEMLPLCJON-CQSZACIVSA-N 1 0 332.448 1.654 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]([NH3+])CCSC)C2)cc1 ZINC000818323747 593692815 /nfs/dbraw/zinc/69/28/15/593692815.db2.gz IOUGEDAOZGQUOL-CZUORRHYSA-N 1 0 337.489 1.718 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC(C[NH3+])CC3)C2)cc1 ZINC000818658089 593710833 /nfs/dbraw/zinc/71/08/33/593710833.db2.gz OBYPQQPBRPXTDR-INIZCTEOSA-N 1 0 346.475 1.902 20 10 EDCDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000818953594 593730136 /nfs/dbraw/zinc/73/01/36/593730136.db2.gz KWZZLQDOWZTGOE-KRWDZBQOSA-N 1 0 345.403 1.542 20 10 EDCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968156 593730891 /nfs/dbraw/zinc/73/08/91/593730891.db2.gz MBXGWJPEBPMLCJ-FUHWJXTLSA-N 1 0 349.475 1.265 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CC[C@H]3C)CC2)cc1 ZINC000819311870 593750109 /nfs/dbraw/zinc/75/01/09/593750109.db2.gz PPOCYWUYMLSBIM-SUMDDJOVSA-N 1 0 333.476 1.566 20 10 EDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)CN(C)C3CC3)C2)cc1 ZINC000819378929 593752589 /nfs/dbraw/zinc/75/25/89/593752589.db2.gz AFHUNPVXUOSLPN-YJBOKZPZSA-N 1 0 333.476 1.566 20 10 EDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC12COC2 ZINC000824490013 594023808 /nfs/dbraw/zinc/02/38/08/594023808.db2.gz SHHVYJUMQJIJNG-LBPRGKRZSA-N 1 0 335.356 1.132 20 10 EDCDRO COc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000825635189 594209593 /nfs/dbraw/zinc/20/95/93/594209593.db2.gz WTVHWRWAHDHBMH-CYBMUJFWSA-N 1 0 342.461 1.561 20 10 EDCDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827544725 594229387 /nfs/dbraw/zinc/22/93/87/594229387.db2.gz IYDRKGYNAPHXAI-SFHVURJKSA-N 1 0 346.475 1.711 20 10 EDCDRO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827640106 594250164 /nfs/dbraw/zinc/25/01/64/594250164.db2.gz ROJXLXANDYWWEC-SFHVURJKSA-N 1 0 343.471 1.968 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1F ZINC000827901548 594301057 /nfs/dbraw/zinc/30/10/57/594301057.db2.gz PWUFXRSBKRXDIT-CYBMUJFWSA-N 1 0 346.410 1.165 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1F ZINC000827901551 594301146 /nfs/dbraw/zinc/30/11/46/594301146.db2.gz PWUFXRSBKRXDIT-ZDUSSCGKSA-N 1 0 346.410 1.165 20 10 EDCDRO COC(=O)[C@@](C)(CCF)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827352939 594663726 /nfs/dbraw/zinc/66/37/26/594663726.db2.gz ULVRNIDZVSVXCK-GOSISDBHSA-N 1 0 337.439 1.819 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000827469227 594674949 /nfs/dbraw/zinc/67/49/49/594674949.db2.gz QTDDRZPOYCGFFT-JKSUJKDBSA-N 1 0 344.459 1.147 20 10 EDCDRO CC(C)NC(=O)CCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272969 594739403 /nfs/dbraw/zinc/73/94/03/594739403.db2.gz KRAIIJJGTGPDEA-MRXNPFEDSA-N 1 0 334.464 1.564 20 10 EDCDRO CC(=O)N1CCC[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832292448 594740617 /nfs/dbraw/zinc/74/06/17/594740617.db2.gz HBFBYHVUQHIGCE-RDJZCZTQSA-N 1 0 332.448 1.127 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CNC(=O)c2ccccc2)cc1 ZINC000832292531 594740651 /nfs/dbraw/zinc/74/06/51/594740651.db2.gz IJPHWANFLDTYJO-KRWDZBQOSA-N 1 0 340.427 1.299 20 10 EDCDRO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000832446104 594751098 /nfs/dbraw/zinc/75/10/98/594751098.db2.gz OILKCPAYJOWRAS-IAGOWNOFSA-N 1 0 335.448 1.105 20 10 EDCDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3C)C2=O)n(C)n1 ZINC000840934976 594829854 /nfs/dbraw/zinc/82/98/54/594829854.db2.gz AJXSQUZPBVIKEZ-KRWDZBQOSA-N 1 0 341.459 1.998 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000840947508 594831190 /nfs/dbraw/zinc/83/11/90/594831190.db2.gz XBWGVQKRVGWHMP-KRWDZBQOSA-N 1 0 339.505 1.965 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000840976274 594834342 /nfs/dbraw/zinc/83/43/42/594834342.db2.gz NXTJOVDBENYDCV-AWEZNQCLSA-N 1 0 344.459 1.179 20 10 EDCDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(N)cc2)([NH+](C)C)C1 ZINC000841021466 594840660 /nfs/dbraw/zinc/84/06/60/594840660.db2.gz CHWIMZOCIWNDMH-FZKQIMNGSA-N 1 0 332.448 1.834 20 10 EDCDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841023054 594841436 /nfs/dbraw/zinc/84/14/36/594841436.db2.gz ONOPPAMZXZNLQN-OAHLLOKOSA-N 1 0 344.415 2.000 20 10 EDCDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729166 594944648 /nfs/dbraw/zinc/94/46/48/594944648.db2.gz CRFUMRQCUVWHFY-SJLPKXTDSA-N 1 0 346.475 1.840 20 10 EDCDRO C[NH2+][C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000841740490 594945819 /nfs/dbraw/zinc/94/58/19/594945819.db2.gz IYNWIIMQUJGQHH-HOCLYGCPSA-N 1 0 332.448 1.588 20 10 EDCDRO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000841741972 594946178 /nfs/dbraw/zinc/94/61/78/594946178.db2.gz QVRXUSNXIBPSJY-HNNXBMFYSA-N 1 0 346.475 1.883 20 10 EDCDRO CCC[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[N@@H+]1CCOC ZINC000841960757 594990166 /nfs/dbraw/zinc/99/01/66/594990166.db2.gz WOALOYMVDWXIAM-GOSISDBHSA-N 1 0 348.491 1.954 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000842036633 595006547 /nfs/dbraw/zinc/00/65/47/595006547.db2.gz PRSNJLVUKODQKO-QGZVFWFLSA-N 1 0 346.475 1.393 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203853 595037756 /nfs/dbraw/zinc/03/77/56/595037756.db2.gz XWXFYMNZJDYOIV-LSDHHAIUSA-N 1 0 346.475 1.436 20 10 EDCDRO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842207784 595039200 /nfs/dbraw/zinc/03/92/00/595039200.db2.gz POMNQPKXBHQSCI-UHFFFAOYSA-N 1 0 346.475 1.407 20 10 EDCDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238602 595050014 /nfs/dbraw/zinc/05/00/14/595050014.db2.gz UHTHQRQRYFKUOO-GASCZTMLSA-N 1 0 346.475 1.307 20 10 EDCDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238603 595050226 /nfs/dbraw/zinc/05/02/26/595050226.db2.gz UHTHQRQRYFKUOO-GJZGRUSLSA-N 1 0 346.475 1.307 20 10 EDCDRO C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000842253807 595056814 /nfs/dbraw/zinc/05/68/14/595056814.db2.gz PHEJYIOULNXFAC-CQSZACIVSA-N 1 0 332.448 1.099 20 10 EDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000843263893 595057539 /nfs/dbraw/zinc/05/75/39/595057539.db2.gz MOGSHHMGZMWLMI-UONOGXRCSA-N 1 0 346.475 1.486 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cnn3ccccc23)cc1 ZINC000843298042 595066143 /nfs/dbraw/zinc/06/61/43/595066143.db2.gz LRPHFTAPJATRKF-QGZVFWFLSA-N 1 0 337.427 1.759 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000843299535 595066652 /nfs/dbraw/zinc/06/66/52/595066652.db2.gz XJVZYFJGJPVCJZ-ZBFHGGJFSA-N 1 0 327.432 1.712 20 10 EDCDRO [NH3+][C@H]1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC000843346734 595081885 /nfs/dbraw/zinc/08/18/85/595081885.db2.gz WGDUWEHRKLDTGN-LBPRGKRZSA-N 1 0 349.390 1.434 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000846169096 595163462 /nfs/dbraw/zinc/16/34/62/595163462.db2.gz NQJIJUOGMGVRPA-OAHLLOKOSA-N 1 0 334.464 1.772 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@@H]2COC[C@H]2OC)c1O ZINC000842752798 595188555 /nfs/dbraw/zinc/18/85/55/595188555.db2.gz WROHMHNUNGDYLR-ZYHUDNBSSA-N 1 0 332.194 1.667 20 10 EDCDRO COCC[C@@H](C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785110 595197594 /nfs/dbraw/zinc/19/75/94/595197594.db2.gz OXVQVHRPSBYOQQ-IUODEOHRSA-N 1 0 329.466 1.097 20 10 EDCDRO COC(=O)c1cn(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)nn1 ZINC000835048894 595253219 /nfs/dbraw/zinc/25/32/19/595253219.db2.gz CODFJMMNXYWKLH-SNAWJCMRSA-N 1 0 329.404 1.434 20 10 EDCDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844218895 595305205 /nfs/dbraw/zinc/30/52/05/595305205.db2.gz DUAGRFHTKDYSGM-RDJZCZTQSA-N 1 0 332.492 1.770 20 10 EDCDRO Cn1cc(N2CC[C@H](N3CCCc4cc(C[NH3+])ccc43)C2=O)cn1 ZINC000844219240 595305393 /nfs/dbraw/zinc/30/53/93/595305393.db2.gz KABYMFZOIPQQSY-KRWDZBQOSA-N 1 0 325.416 1.437 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000844224474 595308489 /nfs/dbraw/zinc/30/84/89/595308489.db2.gz FREDWKKCNPLLDQ-SFHVURJKSA-N 1 0 336.455 1.344 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000844225232 595309175 /nfs/dbraw/zinc/30/91/75/595309175.db2.gz LZGAMMFTECLGMF-GOSISDBHSA-N 1 0 346.475 1.013 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)n2cc(N)cn2)cc1 ZINC000852792310 595545030 /nfs/dbraw/zinc/54/50/30/595545030.db2.gz VKLIUYFMSAMUKL-HNNXBMFYSA-N 1 0 330.436 1.083 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000852917119 595613542 /nfs/dbraw/zinc/61/35/42/595613542.db2.gz HXLNUQFENXHFAS-UHFFFAOYSA-N 1 0 334.464 1.297 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000850846209 595652633 /nfs/dbraw/zinc/65/26/33/595652633.db2.gz LZWLITVDMUODKH-HNNXBMFYSA-N 1 0 330.432 1.731 20 10 EDCDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(O)c1O ZINC000855402009 595693903 /nfs/dbraw/zinc/69/39/03/595693903.db2.gz COSBYBDKHRPFKJ-OAHLLOKOSA-N 1 0 342.395 1.594 20 10 EDCDRO COc1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850012909 595717916 /nfs/dbraw/zinc/71/79/16/595717916.db2.gz RTXKXFGXYUJPDY-GFCCVEGCSA-N 1 0 327.446 1.975 20 10 EDCDRO COC(=O)CNC(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232833 595730942 /nfs/dbraw/zinc/73/09/42/595730942.db2.gz IEAPZOGETLFXND-UHFFFAOYSA-N 1 0 346.383 1.667 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858249826 595742934 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COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])COC(C)C)CC2)cc1 ZINC000851630408 595861263 /nfs/dbraw/zinc/86/12/63/595861263.db2.gz LLVOJWPALVUUCO-KRWDZBQOSA-N 1 0 335.448 1.486 20 10 EDCDRO CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CC([NH3+])C1 ZINC000851680878 595882978 /nfs/dbraw/zinc/88/29/78/595882978.db2.gz KYACBQSXSSKCEF-UHFFFAOYSA-N 1 0 332.448 1.279 20 10 EDCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000851686697 595884842 /nfs/dbraw/zinc/88/48/42/595884842.db2.gz RWRMXAVMLJRLRA-HNNXBMFYSA-N 1 0 346.475 1.263 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)cc2)CC1 ZINC000854230799 596008817 /nfs/dbraw/zinc/00/88/17/596008817.db2.gz YYMIMCBAGPDIJS-UXHICEINSA-N 1 0 345.487 1.504 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)C2)cc1 ZINC000861648614 596056880 /nfs/dbraw/zinc/05/68/80/596056880.db2.gz YJVMINXFGNXPKM-ARFHVFGLSA-N 1 0 346.475 1.961 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000859594314 596141570 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CCN(CC[NH3+])C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000863752908 596673987 /nfs/dbraw/zinc/67/39/87/596673987.db2.gz IIKFAFHIHJDZIP-UHFFFAOYSA-N 1 0 346.475 1.443 20 10 EDCDRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000863751803 596674043 /nfs/dbraw/zinc/67/40/43/596674043.db2.gz NOWYVIGYXJPCRG-UHFFFAOYSA-N 1 0 332.448 1.051 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000866441334 596887625 /nfs/dbraw/zinc/88/76/25/596887625.db2.gz ZOGIVOFJEZYMQL-WDCWCFNPSA-N 1 0 338.379 1.735 20 10 EDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000876713054 597300457 /nfs/dbraw/zinc/30/04/57/597300457.db2.gz FYGJEQDZHGPCFQ-JFZXIXNHSA-N 1 0 343.471 1.893 20 10 EDCDRO Cc1cccc(O)c1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000876923345 597386032 /nfs/dbraw/zinc/38/60/32/597386032.db2.gz VDNRBOLCTRQHER-UHFFFAOYSA-N 1 0 341.459 1.793 20 10 EDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000876970550 597402036 /nfs/dbraw/zinc/40/20/36/597402036.db2.gz UUTSWROKAGRSIC-CYBMUJFWSA-N 1 0 331.368 1.959 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC000873862369 597423673 /nfs/dbraw/zinc/42/36/73/597423673.db2.gz MNWWPIWCJAYFIS-UHFFFAOYSA-N 1 0 331.460 1.823 20 10 EDCDRO CO[C@]1(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCOC1 ZINC000877145116 597442647 /nfs/dbraw/zinc/44/26/47/597442647.db2.gz CQRVQLXYDMAUSL-LPHOPBHVSA-N 1 0 347.459 1.283 20 10 EDCDRO CC1(C)COCCN1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877148089 597443494 /nfs/dbraw/zinc/44/34/94/597443494.db2.gz GULPXIBHKVDTPH-UHFFFAOYSA-N 1 0 347.503 1.848 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCn4ccnc4C3)cc2)CC1 ZINC000877429561 597514087 /nfs/dbraw/zinc/51/40/87/597514087.db2.gz KKRBTOZDIJOSSC-INIZCTEOSA-N 1 0 326.444 1.949 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@]3(OC)CCOC3)CC2)c(OC)c1 ZINC000877708196 597549135 /nfs/dbraw/zinc/54/91/35/597549135.db2.gz CUVJFNRVEUBGOV-SFHVURJKSA-N 1 0 336.432 1.631 20 10 EDCDRO C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)CC1 ZINC000882994182 597610729 /nfs/dbraw/zinc/61/07/29/597610729.db2.gz VOZYGHRMLWLTSJ-CQSZACIVSA-N 1 0 325.403 1.929 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879568946 597635324 /nfs/dbraw/zinc/63/53/24/597635324.db2.gz GDUPIDFSWQNAQA-HKUYNNGSSA-N 1 0 344.503 1.737 20 10 EDCDRO CC[NH+](CC)CC[C@H](CO)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000883160314 597672238 /nfs/dbraw/zinc/67/22/38/597672238.db2.gz MAQXGHBIQYBIET-GOSISDBHSA-N 1 0 349.519 1.830 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc[n+]([O-])c3)cc2)CC1 ZINC000881849513 597753126 /nfs/dbraw/zinc/75/31/26/597753126.db2.gz PXLXRETZIQCGFU-UHFFFAOYSA-N 1 0 326.400 1.002 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCn3cccn3)cc2)CC1 ZINC000881850017 597753672 /nfs/dbraw/zinc/75/36/72/597753672.db2.gz ZDMONXWQQATVFB-UHFFFAOYSA-N 1 0 327.432 1.341 20 10 EDCDRO C[C@@H](OCC1CC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852208 597754540 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C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](O)c3ccccn3)cc2)CC1 ZINC000918852533 697216927 /nfs/dbraw/zinc/21/69/27/697216927.db2.gz QMAWLUYBERTJLN-SFHVURJKSA-N 1 0 340.427 1.183 20 10 EDCDRO CC[NH+]1CCC(NC(=O)CN(C)c2ccc(OC)c(OC)c2)CC1 ZINC000921234311 697536123 /nfs/dbraw/zinc/53/61/23/697536123.db2.gz VLXKXDMLSVBLER-UHFFFAOYSA-N 1 0 335.448 1.741 20 10 EDCDRO C[C@@H](O)C[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996691612 702988806 /nfs/dbraw/zinc/98/88/06/702988806.db2.gz UHSALBILRFMEJO-RISCZKNCSA-N 1 0 347.419 1.670 20 10 EDCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1C ZINC000135462000 237248549 /nfs/dbraw/zinc/24/85/49/237248549.db2.gz LGWSTMIOTLUDMB-HNNXBMFYSA-N 1 0 326.462 1.911 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000269231692 249378471 /nfs/dbraw/zinc/37/84/71/249378471.db2.gz CXJWUTNNPIQLSL-GUTXKFCHSA-N 1 0 335.423 1.665 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1[C@H](C)CCC[C@@H]1CO)cc2=O ZINC000270177359 249388999 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COc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1OC ZINC000273560031 443579749 /nfs/dbraw/zinc/57/97/49/443579749.db2.gz BPFKKMYZVSMKMM-CYBMUJFWSA-N 1 0 335.404 1.445 20 10 EDCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)CN1 ZINC000279407766 443579902 /nfs/dbraw/zinc/57/99/02/443579902.db2.gz LPMGLIAFGTXGBS-AWEZNQCLSA-N 1 0 325.206 1.867 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273582396 443582654 /nfs/dbraw/zinc/58/26/54/443582654.db2.gz MWZNBHADDSNVHG-WMLDXEAASA-N 1 0 349.475 1.994 20 10 EDCDRO COC(=O)CN(CCC1OCCO1)Cc1cc(Cl)ccc1O ZINC000274465538 443606061 /nfs/dbraw/zinc/60/60/61/443606061.db2.gz NDOCYQNYUZPBES-UHFFFAOYSA-N 1 0 329.780 1.784 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000283648476 443681367 /nfs/dbraw/zinc/68/13/67/443681367.db2.gz XPGWOCPSMMAJCQ-INIZCTEOSA-N 1 0 346.475 1.169 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000287911312 443760177 /nfs/dbraw/zinc/76/01/77/443760177.db2.gz OKNARAFPEWOMRW-CQSZACIVSA-N 1 0 347.459 1.730 20 10 EDCDRO COc1cc(Cl)cc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1O ZINC000284259011 443771120 /nfs/dbraw/zinc/77/11/20/443771120.db2.gz GGROUHXKAJXETR-NEPJUHHUSA-N 1 0 328.840 1.941 20 10 EDCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293892381 444094580 /nfs/dbraw/zinc/09/45/80/444094580.db2.gz VGZPSJMZYDLQPX-OAHLLOKOSA-N 1 0 325.478 1.575 20 10 EDCDRO CCn1cc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cn1 ZINC000296137576 444207001 /nfs/dbraw/zinc/20/70/01/444207001.db2.gz RUBVKCSQXREXST-AWEZNQCLSA-N 1 0 329.448 1.936 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](SC)C3)CC2)cc1 ZINC000296424649 444228606 /nfs/dbraw/zinc/22/86/06/444228606.db2.gz VAWWBLPMKHVPGU-KRWDZBQOSA-N 1 0 349.500 1.781 20 10 EDCDRO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)c3cc(OC)ccc3O)C2)nn1 ZINC000364636412 445939536 /nfs/dbraw/zinc/93/95/36/445939536.db2.gz MVQOMEISAYSMNW-RYUDHWBXSA-N 1 0 346.387 1.787 20 10 EDCDRO CN1CCc2cc(CNC(=O)NCC3(N4CCOCC4)CC3)ccc21 ZINC000376426185 446490446 /nfs/dbraw/zinc/49/04/46/446490446.db2.gz KRNJCNJOEXAYKE-UHFFFAOYSA-N 1 0 344.459 1.343 20 10 EDCDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000376680195 446647400 /nfs/dbraw/zinc/64/74/00/446647400.db2.gz MWXFAYAXEIFVBX-UHFFFAOYSA-N 1 0 328.416 1.553 20 10 EDCDRO Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(O)c1O ZINC000368055687 446622602 /nfs/dbraw/zinc/62/26/02/446622602.db2.gz GCYKQJFUDQXPRJ-AWEZNQCLSA-N 1 0 333.432 1.258 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1F ZINC000371091677 446622956 /nfs/dbraw/zinc/62/29/56/446622956.db2.gz WHYFAFNJYDSLCR-SCLBCKFNSA-N 1 0 348.422 1.702 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000371407475 446836521 /nfs/dbraw/zinc/83/65/21/446836521.db2.gz QJUGUYRFKJHZRN-PKOBYXMFSA-N 1 0 332.444 1.951 20 10 EDCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)[C@H](C)C1 ZINC000376990479 446844310 /nfs/dbraw/zinc/84/43/10/446844310.db2.gz AUAXVQPQULDOPG-CABCVRRESA-N 1 0 346.475 1.275 20 10 EDCDRO NC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662565725 453293519 /nfs/dbraw/zinc/29/35/19/453293519.db2.gz HDHPQHVYTTYBLQ-OAHLLOKOSA-N 1 0 335.407 1.637 20 10 EDCDRO C[N@H+](CCn1ccccc1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000726232239 578337350 /nfs/dbraw/zinc/33/73/50/578337350.db2.gz SNKNCQRBOUTYBV-UHFFFAOYSA-N 1 0 327.428 1.817 20 10 EDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000732273406 578701421 /nfs/dbraw/zinc/70/14/21/578701421.db2.gz UZOIJXDNZNSNRN-IBGZPJMESA-N 1 0 345.487 1.996 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000749972092 579746344 /nfs/dbraw/zinc/74/63/44/579746344.db2.gz OUVXHKWFPDPXDV-ZDUSSCGKSA-N 1 0 335.429 1.454 20 10 EDCDRO CCn1nccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000753854594 579889676 /nfs/dbraw/zinc/88/96/76/579889676.db2.gz VCXXEIYEFXDFGD-UHFFFAOYSA-N 1 0 348.472 1.428 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC(C)(C)C3)CC2)cc1 ZINC000754048961 579894831 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EDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc1 ZINC000773773514 580345889 /nfs/dbraw/zinc/34/58/89/580345889.db2.gz MYWVWDJIKSPMEG-MRXNPFEDSA-N 1 0 325.478 1.656 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000774483354 580363242 /nfs/dbraw/zinc/36/32/42/580363242.db2.gz KAHOBMURCDPDAM-UONOGXRCSA-N 1 0 346.475 1.529 20 10 EDCDRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831961 580402119 /nfs/dbraw/zinc/40/21/19/580402119.db2.gz VYBZMAXNYHGNMO-OLZOCXBDSA-N 1 0 336.436 1.264 20 10 EDCDRO O=C(C1CC1)N1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000780473940 580523865 /nfs/dbraw/zinc/52/38/65/580523865.db2.gz UVXURISHBURKOR-INIZCTEOSA-N 1 0 332.400 1.262 20 10 EDCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1(O)CCOCC1 ZINC000783715672 580604548 /nfs/dbraw/zinc/60/45/48/580604548.db2.gz PTNQSQRBUKETDL-UHFFFAOYSA-N 1 0 338.423 1.636 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000784001988 580611538 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591015212 /nfs/dbraw/zinc/01/52/12/591015212.db2.gz ADJQZXJBXBZGAC-SZMVWBNQSA-N 1 0 349.475 1.523 20 10 EDCDRO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246809 591015595 /nfs/dbraw/zinc/01/55/95/591015595.db2.gz POLIWVBZBPGCJJ-ROUUACIJSA-N 1 0 346.475 1.482 20 10 EDCDRO CCN1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1=O ZINC000891251219 591020147 /nfs/dbraw/zinc/02/01/47/591020147.db2.gz AZELTADHRZUEOP-DOTOQJQBSA-N 1 0 346.475 1.340 20 10 EDCDRO CS(=O)(=O)C1CC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000892622110 591100174 /nfs/dbraw/zinc/10/01/74/591100174.db2.gz OQJCHKFPMJSXPN-UHFFFAOYSA-N 1 0 342.436 1.328 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cocn2)[NH+](C)C)cc1 ZINC000892893181 591217116 /nfs/dbraw/zinc/21/71/16/591217116.db2.gz UMEZUJKKKGPEGO-INIZCTEOSA-N 1 0 331.420 1.843 20 10 EDCDRO COc1cc(C)cc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1O ZINC000895810337 591274726 /nfs/dbraw/zinc/27/47/26/591274726.db2.gz MZZBCRZVWQMQJJ-UHFFFAOYSA-N 1 0 328.434 1.223 20 10 EDCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCNC(=O)C3)cc2)CC1 ZINC000895814350 591279723 /nfs/dbraw/zinc/27/97/23/591279723.db2.gz QGIBXUXZAUFBOG-INIZCTEOSA-N 1 0 344.459 1.147 20 10 EDCDRO CN1CCCc2cc(CNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)ccc21 ZINC000895979916 591317569 /nfs/dbraw/zinc/31/75/69/591317569.db2.gz DPPHWHBLYJVPPM-QGZVFWFLSA-N 1 0 329.444 1.406 20 10 EDCDRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cccc(Cl)c1O ZINC000895045881 591539494 /nfs/dbraw/zinc/53/94/94/591539494.db2.gz BDVUGOTZMGWYDP-UHFFFAOYSA-N 1 0 327.812 1.567 20 10 EDCDRO O=C(NCc1c(O)ccc2c1CCCC2)C1C[NH+](C2CCOCC2)C1 ZINC000896691969 591582391 /nfs/dbraw/zinc/58/23/91/591582391.db2.gz NDNLWVMRWDXIFM-UHFFFAOYSA-N 1 0 344.455 1.998 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C1N=NC(=O)N1C ZINC000895172582 591637692 /nfs/dbraw/zinc/63/76/92/591637692.db2.gz ROCLWMFTGBVGJE-ZETCQYMHSA-N 1 0 327.182 1.840 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]2O)[NH+](C)C)cc1 ZINC000899097658 591678201 /nfs/dbraw/zinc/67/82/01/591678201.db2.gz DSIHMOFZIFAYHI-ULQDDVLXSA-N 1 0 334.464 1.568 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCC2(O)CCCC2)[NH+](C)C)cc1 ZINC000899101277 591681932 /nfs/dbraw/zinc/68/19/32/591681932.db2.gz HXSNSKMYPDMYGX-KRWDZBQOSA-N 1 0 348.491 1.960 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+]CCS(=O)(=O)N2CCCC2)c1 ZINC000897832208 591688170 /nfs/dbraw/zinc/68/81/70/591688170.db2.gz ITPNWJSEPOUBSL-UHFFFAOYSA-N 1 0 328.434 1.306 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000901889297 591853242 /nfs/dbraw/zinc/85/32/42/591853242.db2.gz GWLBNNOANMLLNP-MRXNPFEDSA-N 1 0 349.500 1.688 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000898350915 591883621 /nfs/dbraw/zinc/88/36/21/591883621.db2.gz NCYHBYOOGRQCKY-RDJZCZTQSA-N 1 0 335.448 1.600 20 10 EDCDRO COCC[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900185643 591932516 /nfs/dbraw/zinc/93/25/16/591932516.db2.gz QHHJHJNFIAVVLP-HZPDHXFCSA-N 1 0 348.447 1.312 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccnn1CC[NH+](C)C ZINC000900733081 592112100 /nfs/dbraw/zinc/11/21/00/592112100.db2.gz SJDUNZTZPMROLZ-UHFFFAOYSA-N 1 0 329.448 1.749 20 10 EDCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905483502 592539339 /nfs/dbraw/zinc/53/93/39/592539339.db2.gz ZMUVEUDDALYTEU-MRXNPFEDSA-N 1 0 337.489 1.202 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911127799 592931104 /nfs/dbraw/zinc/93/11/04/592931104.db2.gz ZCOKFQYFEZPPAI-LSDHHAIUSA-N 1 0 346.475 1.121 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911559325 592945845 /nfs/dbraw/zinc/94/58/45/592945845.db2.gz CUDIEXJQMPUUSL-WKILWMFISA-N 1 0 346.475 1.343 20 10 EDCDRO C[C@@H](N)c1nc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000911665957 592973634 /nfs/dbraw/zinc/97/36/34/592973634.db2.gz GDPHXLMZGABPNG-ZWNOBZJWSA-N 1 0 333.461 1.659 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000806043283 593182841 /nfs/dbraw/zinc/18/28/41/593182841.db2.gz ZMGDLSUQZAGPIW-YCPHGPKFSA-N 1 0 346.475 1.529 20 10 EDCDRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(N(C)C)cc1 ZINC000838560441 593187684 /nfs/dbraw/zinc/18/76/84/593187684.db2.gz XDWYYMWLMLTYFU-CRAIPNDOSA-N 1 0 348.491 1.960 20 10 EDCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1)C(N)=O ZINC000840109451 593190710 /nfs/dbraw/zinc/19/07/10/593190710.db2.gz OVECOOZPBYXKRL-BLLLJJGKSA-N 1 0 348.443 1.932 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccnc(F)c3)CC1)[C@@H](O)CO2 ZINC000840117802 593201267 /nfs/dbraw/zinc/20/12/67/593201267.db2.gz AEDLKBHHOHJTTE-INIZCTEOSA-N 1 0 345.374 1.674 20 10 EDCDRO COc1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000839164761 593269179 /nfs/dbraw/zinc/26/91/79/593269179.db2.gz DPSOPTYWMBIYIK-UHFFFAOYSA-N 1 0 336.432 1.372 20 10 EDCDRO COC(=O)CC1([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCC1 ZINC000839544408 593337795 /nfs/dbraw/zinc/33/77/95/593337795.db2.gz JTLVIVRFOHOYQT-UHFFFAOYSA-N 1 0 333.432 1.444 20 10 EDCDRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000803686715 593355262 /nfs/dbraw/zinc/35/52/62/593355262.db2.gz HABWIGWDFBYIHH-UHFFFAOYSA-N 1 0 346.475 1.095 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000817921928 593648908 /nfs/dbraw/zinc/64/89/08/593648908.db2.gz KYKMHLNIDCXKLR-INIZCTEOSA-N 1 0 346.475 1.312 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)CC[NH2+]C)cc1 ZINC000817921977 593649021 /nfs/dbraw/zinc/64/90/21/593649021.db2.gz MGBTYJZLWJPQNA-UHFFFAOYSA-N 1 0 334.464 1.169 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000817973386 593652959 /nfs/dbraw/zinc/65/29/59/593652959.db2.gz DZHPERZQQCYJFK-HOCLYGCPSA-N 1 0 347.459 1.717 20 10 EDCDRO COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000818629558 593708868 /nfs/dbraw/zinc/70/88/68/593708868.db2.gz HOCGHVOJTDWBQO-IBGZPJMESA-N 1 0 347.459 1.504 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)CCC[NH3+])C2)cc1 ZINC000818656171 593710615 /nfs/dbraw/zinc/71/06/15/593710615.db2.gz RDBVOZIGCVAXAZ-HUUCEWRRSA-N 1 0 334.464 1.948 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000818658539 593710820 /nfs/dbraw/zinc/71/08/20/593710820.db2.gz UIDDYSZMUULJGB-HNNXBMFYSA-N 1 0 346.475 1.915 20 10 EDCDRO c1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000822497435 594057928 /nfs/dbraw/zinc/05/79/28/594057928.db2.gz DNRYPKHHYZNESN-SFHVURJKSA-N 1 0 327.432 1.952 20 10 EDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663933 594451299 /nfs/dbraw/zinc/45/12/99/594451299.db2.gz DWHDBQOHLKUZEK-DDTOSNHZSA-N 1 0 325.359 1.720 20 10 EDCDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000830707486 594460947 /nfs/dbraw/zinc/46/09/47/594460947.db2.gz FTKZBKLNVGIWQB-WMZOPIPTSA-N 1 0 333.476 1.804 20 10 EDCDRO C[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000831017992 594539083 /nfs/dbraw/zinc/53/90/83/594539083.db2.gz NCDAPHSARGRLJX-RDTXWAMCSA-N 1 0 332.448 1.635 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000831025417 594540399 /nfs/dbraw/zinc/54/03/99/594540399.db2.gz JTJSSPXQUAWWIE-SFHVURJKSA-N 1 0 332.448 1.715 20 10 EDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000831104422 594557212 /nfs/dbraw/zinc/55/72/12/594557212.db2.gz VHIOHMSPQKDBTF-CHWSQXEVSA-N 1 0 338.427 1.587 20 10 EDCDRO Fc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)ccc1N1CCOCC1 ZINC000827120203 594644407 /nfs/dbraw/zinc/64/44/07/594644407.db2.gz QJAUPPNAQUKRSZ-KRWDZBQOSA-N 1 0 349.450 1.569 20 10 EDCDRO COC[C@@]1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC[NH2+]C1 ZINC000827458507 594674000 /nfs/dbraw/zinc/67/40/00/594674000.db2.gz GRFPCLUDKFCRTK-LJQANCHMSA-N 1 0 347.459 1.360 20 10 EDCDRO COC(=O)c1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832273774 594739685 /nfs/dbraw/zinc/73/96/85/594739685.db2.gz QBVVUEFBXOSDJO-CQSZACIVSA-N 1 0 342.399 1.364 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000840910147 594826774 /nfs/dbraw/zinc/82/67/74/594826774.db2.gz LHWGOJMMSDLZNN-OAHLLOKOSA-N 1 0 325.478 1.575 20 10 EDCDRO C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841004047 594837763 /nfs/dbraw/zinc/83/77/63/594837763.db2.gz KVKZFFSSPCGEDX-BETUJISGSA-N 1 0 348.447 1.211 20 10 EDCDRO CN1CCN(c2ncc(C[NH2+]CCc3ccc(N)cc3)cn2)CC1 ZINC000841034706 594842595 /nfs/dbraw/zinc/84/25/95/594842595.db2.gz JSZXIKOCWAURHY-UHFFFAOYSA-N 1 0 326.448 1.143 20 10 EDCDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)CC1 ZINC000841039051 594842669 /nfs/dbraw/zinc/84/26/69/594842669.db2.gz YMLJIVSQUKWXGP-UHFFFAOYSA-N 1 0 344.459 1.930 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000841779233 594950887 /nfs/dbraw/zinc/95/08/87/594950887.db2.gz OFTOAGGZCDTYNN-UHFFFAOYSA-N 1 0 332.448 1.669 20 10 EDCDRO COC[C@@]1(CNC(=O)NCc2ccc(N(C)C)cc2C)CCC[NH2+]1 ZINC000841824663 594958510 /nfs/dbraw/zinc/95/85/10/594958510.db2.gz SAVHVUFYWMMXKM-SFHVURJKSA-N 1 0 334.464 1.629 20 10 EDCDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841999972 594998541 /nfs/dbraw/zinc/99/85/41/594998541.db2.gz QXPODQVDJLXNHR-AIANPOQGSA-N 1 0 331.416 1.301 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000842011517 595002359 /nfs/dbraw/zinc/00/23/59/595002359.db2.gz SRRUJOLRACZNBD-QGZVFWFLSA-N 1 0 334.464 1.663 20 10 EDCDRO CC(C)(CNC(=O)C(=O)NCCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000842023959 595004385 /nfs/dbraw/zinc/00/43/85/595004385.db2.gz JTDMAZOHDNHWGK-UHFFFAOYSA-N 1 0 346.475 1.308 20 10 EDCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149337 595023595 /nfs/dbraw/zinc/02/35/95/595023595.db2.gz WCZDUTNGAKWEOO-ZDUSSCGKSA-N 1 0 338.427 1.142 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000842152043 595023830 /nfs/dbraw/zinc/02/38/30/595023830.db2.gz DVHCHGHCRDLNDA-KRWDZBQOSA-N 1 0 346.475 1.311 20 10 EDCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842214196 595041373 /nfs/dbraw/zinc/04/13/73/595041373.db2.gz LFXCDCKAOVYUPS-UHFFFAOYSA-N 1 0 346.475 1.217 20 10 EDCDRO C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842254478 595056744 /nfs/dbraw/zinc/05/67/44/595056744.db2.gz JWYBXYPDIZNFDE-ZDUSSCGKSA-N 1 0 333.432 1.517 20 10 EDCDRO CCON(C)C(=O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000846062534 595133125 /nfs/dbraw/zinc/13/31/25/595133125.db2.gz GNHKBBTVEMTZAE-UHFFFAOYSA-N 1 0 347.209 1.663 20 10 EDCDRO Cn1ccnc1CN1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000834759802 595205533 /nfs/dbraw/zinc/20/55/33/595205533.db2.gz FWTCIYFELMTBKL-LSDHHAIUSA-N 1 0 340.427 1.894 20 10 EDCDRO [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843048138 595273610 /nfs/dbraw/zinc/27/36/10/595273610.db2.gz OYBJXBJYIQALKJ-SNVBAGLBSA-N 1 0 329.803 1.472 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844223324 595307723 /nfs/dbraw/zinc/30/77/23/595307723.db2.gz YJLUMQLCLAXLLS-HZPDHXFCSA-N 1 0 346.475 1.013 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)CCO)CC2)cc1 ZINC000844446080 595344181 /nfs/dbraw/zinc/34/41/81/595344181.db2.gz FKLFKQKSNAFTCL-OAHLLOKOSA-N 1 0 335.448 1.047 20 10 EDCDRO CCc1cccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000848911951 595466875 /nfs/dbraw/zinc/46/68/75/595466875.db2.gz ZRBAQBUTTYHIQX-UHFFFAOYSA-N 1 0 326.462 1.716 20 10 EDCDRO CCc1cccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000848916418 595467290 /nfs/dbraw/zinc/46/72/90/595467290.db2.gz HPUFKHLKFROHIX-UHFFFAOYSA-N 1 0 338.473 1.955 20 10 EDCDRO CN(C)c1ccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)cc1 ZINC000849110265 595483470 /nfs/dbraw/zinc/48/34/70/595483470.db2.gz DZDTVHDSCNKYRA-UHFFFAOYSA-N 1 0 335.452 1.891 20 10 EDCDRO COc1cccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1O ZINC000849111860 595483914 /nfs/dbraw/zinc/48/39/14/595483914.db2.gz JAZQIESWFHUNAH-UHFFFAOYSA-N 1 0 338.408 1.539 20 10 EDCDRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568042 595535844 /nfs/dbraw/zinc/53/58/44/595535844.db2.gz OHJTWGQKBXQAAA-QGZVFWFLSA-N 1 0 331.460 1.795 20 10 EDCDRO C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000852863308 595584084 /nfs/dbraw/zinc/58/40/84/595584084.db2.gz SYRPWXPBUWHBRL-XKQJLSEDSA-N 1 0 333.432 1.064 20 10 EDCDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852869208 595588719 /nfs/dbraw/zinc/58/87/19/595588719.db2.gz ZDVATUXFDAHSNQ-HZPDHXFCSA-N 1 0 331.460 1.781 20 10 EDCDRO C[C@@H]1COCCN1CC[NH2+]Cc1c(O)cccc1Br ZINC000858125363 595705994 /nfs/dbraw/zinc/70/59/94/595705994.db2.gz BIAWGAAZFYDZAM-LLVKDONJSA-N 1 0 329.238 1.965 20 10 EDCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)[C@@H]1CN(C)CCO1 ZINC000858151073 595714026 /nfs/dbraw/zinc/71/40/26/595714026.db2.gz RVZWPMKJAUCYDJ-HZMBPMFUSA-N 1 0 329.238 1.963 20 10 EDCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)[C@H]1CN(C)CCO1 ZINC000858151074 595714101 /nfs/dbraw/zinc/71/41/01/595714101.db2.gz RVZWPMKJAUCYDJ-IINYFYTJSA-N 1 0 329.238 1.963 20 10 EDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000111235041 595731117 /nfs/dbraw/zinc/73/11/17/595731117.db2.gz MDGHWBAPCNHXDP-QGZVFWFLSA-N 1 0 335.425 1.961 20 10 EDCDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853625649 595837989 /nfs/dbraw/zinc/83/79/89/595837989.db2.gz UTBPGSZBPOKYGV-RHSMWYFYSA-N 1 0 336.432 1.361 20 10 EDCDRO COc1ccc(N2CC[C@@H](Nc3cc(NC[C@H](C)O)ncn3)C2)cc1 ZINC000853758163 595872596 /nfs/dbraw/zinc/87/25/96/595872596.db2.gz ATIKCZCKOFLPIT-UONOGXRCSA-N 1 0 343.431 1.969 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000851664082 595874386 /nfs/dbraw/zinc/87/43/86/595874386.db2.gz QODDCRDMKFHQCJ-KKUMJFAQSA-N 1 0 332.448 1.843 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC12CC(C1)C[NH2+]2 ZINC000851677004 595881071 /nfs/dbraw/zinc/88/10/71/595881071.db2.gz RHSOTKXLXNWJIT-UHFFFAOYSA-N 1 0 344.459 1.199 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851680550 595882990 /nfs/dbraw/zinc/88/29/90/595882990.db2.gz JFZAOOJPEMLIHQ-UHFFFAOYSA-N 1 0 345.403 1.468 20 10 EDCDRO C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000851682409 595883061 /nfs/dbraw/zinc/88/30/61/595883061.db2.gz WJUJICFRJIFMJW-HUUCEWRRSA-N 1 0 346.475 1.540 20 10 EDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854062769 595965925 /nfs/dbraw/zinc/96/59/25/595965925.db2.gz AJJRIBRZUGAUCR-AWEZNQCLSA-N 1 0 334.464 1.397 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)cc2)CC1 ZINC000854230800 596008778 /nfs/dbraw/zinc/00/87/78/596008778.db2.gz YYMIMCBAGPDIJS-VQTJNVASSA-N 1 0 345.487 1.504 20 10 EDCDRO c1cnc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000112119309 596022537 /nfs/dbraw/zinc/02/25/37/596022537.db2.gz RVHVREVGNPMWSL-UHFFFAOYSA-N 1 0 339.443 1.635 20 10 EDCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000861564106 596030530 /nfs/dbraw/zinc/03/05/30/596030530.db2.gz FRVJHKYARLYNJE-SFHVURJKSA-N 1 0 346.475 1.663 20 10 EDCDRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[NH2+]1 ZINC000861765326 596094536 /nfs/dbraw/zinc/09/45/36/596094536.db2.gz AGKUZFFHZBEAQS-GOEBONIOSA-N 1 0 344.459 1.160 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861804442 596108405 /nfs/dbraw/zinc/10/84/05/596108405.db2.gz JHOLDXYPEXRVEA-GOEBONIOSA-N 1 0 347.459 1.778 20 10 EDCDRO CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000852708590 596231486 /nfs/dbraw/zinc/23/14/86/596231486.db2.gz FPZSLMUIMICWGN-MRXNPFEDSA-N 1 0 336.407 1.765 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c(O)c1C ZINC000866551837 596246867 /nfs/dbraw/zinc/24/68/67/596246867.db2.gz CRSDPLUSPKYHBD-RDTXWAMCSA-N 1 0 334.416 1.287 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nc(C)no3)cc2F)CC1 ZINC000865930109 596725051 /nfs/dbraw/zinc/72/50/51/596725051.db2.gz JBNCQGWPEUMZDL-UHFFFAOYSA-N 1 0 347.394 1.589 20 10 EDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1(O)CCOCC1 ZINC000872198750 596831164 /nfs/dbraw/zinc/83/11/64/596831164.db2.gz ZWXDHLGBQHLGBW-GOSISDBHSA-N 1 0 334.460 1.669 20 10 EDCDRO CN(C)c1ccc(CNS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000866423856 596884123 /nfs/dbraw/zinc/88/41/23/596884123.db2.gz CEABKAJVXKLICQ-UHFFFAOYSA-N 1 0 325.478 1.658 20 10 EDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873052606 597172433 /nfs/dbraw/zinc/17/24/33/597172433.db2.gz RRGLPYPQLXQSCF-GOSISDBHSA-N 1 0 333.432 1.817 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1Cn1cccn1 ZINC000873116794 597201186 /nfs/dbraw/zinc/20/11/86/597201186.db2.gz NAUFDIYYOVPTQJ-KDOFPFPSSA-N 1 0 331.416 1.570 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCS(=O)(=O)CC3)C2)cc1 ZINC000873134167 597207388 /nfs/dbraw/zinc/20/73/88/597207388.db2.gz KTUYBDCQGPLAFF-GJZGRUSLSA-N 1 0 338.473 1.831 20 10 EDCDRO COc1ccnc(OC)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507113 597224356 /nfs/dbraw/zinc/22/43/56/597224356.db2.gz VSYJBGRYQPWKLG-CQSZACIVSA-N 1 0 344.415 1.595 20 10 EDCDRO CC(C)C[C@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507043 597224628 /nfs/dbraw/zinc/22/46/28/597224628.db2.gz ULLKJSDDAHMBBC-QFBILLFUSA-N 1 0 346.475 1.421 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCCN(C)C2=O)cc1 ZINC000876506201 597224783 /nfs/dbraw/zinc/22/47/83/597224783.db2.gz HBDPFTQZBWTHML-HOTGVXAUSA-N 1 0 332.448 1.127 20 10 EDCDRO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876554939 597238886 /nfs/dbraw/zinc/23/88/86/597238886.db2.gz KNNISTRYUBVVFD-UHFFFAOYSA-N 1 0 341.477 1.405 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@@H](OC)C[NH2+]3)CC2)cc1 ZINC000876708443 597297317 /nfs/dbraw/zinc/29/73/17/597297317.db2.gz QIWNFNWUPMLSAH-AEFFLSMTSA-N 1 0 333.432 1.111 20 10 EDCDRO O=C(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)NCc1ccco1 ZINC000876921426 597386523 /nfs/dbraw/zinc/38/65/23/597386523.db2.gz OTTYBSUEDUGIBZ-UHFFFAOYSA-N 1 0 343.427 1.647 20 10 EDCDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877089580 597429760 /nfs/dbraw/zinc/42/97/60/597429760.db2.gz OIASWUPWIQHKCE-CQSZACIVSA-N 1 0 340.489 1.561 20 10 EDCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)nn1 ZINC000877366311 597502221 /nfs/dbraw/zinc/50/22/21/597502221.db2.gz VFWZFLYYEDXITI-ZDUSSCGKSA-N 1 0 330.388 1.916 20 10 EDCDRO COCCNC(=O)C1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877586432 597539156 /nfs/dbraw/zinc/53/91/56/597539156.db2.gz DOUKDOODQNUHLD-UHFFFAOYSA-N 1 0 347.459 1.033 20 10 EDCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCN1C1CCC1 ZINC000877661740 597545688 /nfs/dbraw/zinc/54/56/88/597545688.db2.gz GEYAHFIQYWTBOY-LJQANCHMSA-N 1 0 343.471 1.891 20 10 EDCDRO C[C@@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccccc1O ZINC000877756608 597553373 /nfs/dbraw/zinc/55/33/73/597553373.db2.gz XMIKAVKWPRTZCG-MRXNPFEDSA-N 1 0 333.476 1.839 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877765187 597553974 /nfs/dbraw/zinc/55/39/74/597553974.db2.gz USRNPYDRPVRJNO-TXEJJXNPSA-N 1 0 330.222 1.496 20 10 EDCDRO OCC1(CO)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000877796014 597558123 /nfs/dbraw/zinc/55/81/23/597558123.db2.gz FABNLOJHFPNCOU-UHFFFAOYSA-N 1 0 330.222 1.722 20 10 EDCDRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000879651106 597674679 /nfs/dbraw/zinc/67/46/79/597674679.db2.gz IOVRCRKJIZAOAG-QWHCGFSZSA-N 1 0 334.416 1.843 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCCO3)cc2)CC1 ZINC000883203246 597684644 /nfs/dbraw/zinc/68/46/44/597684644.db2.gz XFTBMKVKZONXNQ-GOSISDBHSA-N 1 0 346.475 1.807 20 10 EDCDRO COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852678 597754962 /nfs/dbraw/zinc/75/49/62/597754962.db2.gz BJAOTNRVQZNYAA-CVEARBPZSA-N 1 0 333.476 1.973 20 10 EDCDRO Cc1cc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)ccc1N1CCCCC1 ZINC000878972139 597770860 /nfs/dbraw/zinc/77/08/60/597770860.db2.gz GTEYTZSXRVOGJV-HZPDHXFCSA-N 1 0 344.459 1.004 20 10 EDCDRO CO[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@](C)(CO)C1 ZINC000879260006 597867917 /nfs/dbraw/zinc/86/79/17/597867917.db2.gz SEXUWHRQJRJXMY-IEBWSBKVSA-N 1 0 349.475 1.183 20 10 EDCDRO COc1ccc(N2CC[NH+]([C@H](C)CN3CCOCC3)CC2)c(OC)c1 ZINC000879461995 597923811 /nfs/dbraw/zinc/92/38/11/597923811.db2.gz KINDADVKXSJRFH-MRXNPFEDSA-N 1 0 349.475 1.547 20 10 EDCDRO Cc1cc(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)ccc1N(C)C ZINC000881377309 598136138 /nfs/dbraw/zinc/13/61/38/598136138.db2.gz JVXAKDRJJMMQSY-UHFFFAOYSA-N 1 0 325.420 1.404 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCC3(O)CCC3)cc2)CC1 ZINC000918846634 697216026 /nfs/dbraw/zinc/21/60/26/697216026.db2.gz UDFAQVVSWZIBFI-UHFFFAOYSA-N 1 0 331.460 1.750 20 10 EDCDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179936570 698456449 /nfs/dbraw/zinc/45/64/49/698456449.db2.gz GATQQIVJWWSEOE-AWEZNQCLSA-N 1 0 330.425 1.825 20 10 EDCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C(N)=O)CC2)cc1C ZINC000996684969 702982925 /nfs/dbraw/zinc/98/29/25/702982925.db2.gz ADKZVMYRDRFXHR-UHFFFAOYSA-N 1 0 347.459 1.596 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1Cn1cccn1 ZINC000922725309 704272469 /nfs/dbraw/zinc/27/24/69/704272469.db2.gz KJIRRDWXJLXKJM-AOIWGVFYSA-N 1 0 343.427 1.834 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]CC[C@H]2CNC(=O)C2)c1O ZINC000922782277 704335398 /nfs/dbraw/zinc/33/53/98/704335398.db2.gz QWGZUMQGOIUNDL-SECBINFHSA-N 1 0 343.221 1.779 20 10 EDCDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC[NH+](CCO)CC1 ZINC000997876091 704780180 /nfs/dbraw/zinc/78/01/80/704780180.db2.gz ONZKWOAMIOLFKG-LBPRGKRZSA-N 1 0 347.419 1.672 20 10 EDCDRO C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945226683 705328414 /nfs/dbraw/zinc/32/84/14/705328414.db2.gz XDOYHNHOGJFWIV-WFASDCNBSA-N 1 0 347.419 1.672 20 10 EDCDRO C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921798813 708056385 /nfs/dbraw/zinc/05/63/85/708056385.db2.gz CNUWFBUAAVZIFG-BBRMVZONSA-N 1 0 338.473 1.771 20 10 EDCDRO C[C@H]1C[N@H+](CCCNC(=O)NCc2c(O)cccc2F)CCCO1 ZINC000922200717 710410524 /nfs/dbraw/zinc/41/05/24/710410524.db2.gz GEPGKWCFWGBWKI-ZDUSSCGKSA-N 1 0 339.411 1.831 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000091963683 529780090 /nfs/dbraw/zinc/78/00/90/529780090.db2.gz NVCPDIORXLGDND-UHFFFAOYSA-N 1 0 325.478 1.608 20 10 EDCDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000092012072 237011845 /nfs/dbraw/zinc/01/18/45/237011845.db2.gz JEPJVOQQZDXCJK-SJKOYZFVSA-N 1 0 345.399 1.800 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113513811 237132170 /nfs/dbraw/zinc/13/21/70/237132170.db2.gz YNJDEZLHLDQAPF-KRWDZBQOSA-N 1 0 332.492 1.595 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237222441 249302239 /nfs/dbraw/zinc/30/22/39/249302239.db2.gz FWIIVDUJAQZHME-GOSISDBHSA-N 1 0 343.471 1.871 20 10 EDCDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000246199600 249306508 /nfs/dbraw/zinc/30/65/08/249306508.db2.gz DVPTYNRUNDHKPG-RVKKMQEKSA-N 1 0 331.460 1.912 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269009917 249377283 /nfs/dbraw/zinc/37/72/83/249377283.db2.gz NFXFWTNGVPBGOY-UKRRQHHQSA-N 1 0 325.478 1.827 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000284051822 249588110 /nfs/dbraw/zinc/58/81/10/249588110.db2.gz MHKXDWUTAZSHKI-OAHLLOKOSA-N 1 0 348.491 1.605 20 10 EDCDRO C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365958038 250188711 /nfs/dbraw/zinc/18/87/11/250188711.db2.gz ZSLGNIWJKUUMAS-DZGCQCFKSA-N 1 0 333.432 1.196 20 10 EDCDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(O)c1O ZINC000370357717 250205689 /nfs/dbraw/zinc/20/56/89/250205689.db2.gz CHEHGBXCMUGCLD-HOCLYGCPSA-N 1 0 347.459 1.504 20 10 EDCDRO COc1ccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)c(O)c1 ZINC000373479225 250238071 /nfs/dbraw/zinc/23/80/71/250238071.db2.gz JIQDSCLUYLMXFQ-UHFFFAOYSA-N 1 0 325.372 1.881 20 10 EDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373737920 250243240 /nfs/dbraw/zinc/24/32/40/250243240.db2.gz MDKFGSMCRYDOQJ-JQHSSLGASA-N 1 0 329.444 1.609 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000375015897 250277177 /nfs/dbraw/zinc/27/71/77/250277177.db2.gz DAEINIOKNVRAIK-OAHLLOKOSA-N 1 0 336.457 1.941 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416029589 251049253 /nfs/dbraw/zinc/04/92/53/251049253.db2.gz LNSUXOVNTJMYOP-CYBMUJFWSA-N 1 0 346.353 1.941 20 10 EDCDRO COc1cc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1OC ZINC000284434967 295027139 /nfs/dbraw/zinc/02/71/39/295027139.db2.gz DLJPTBCHYPYKFK-KGLIPLIRSA-N 1 0 337.376 1.521 20 10 EDCDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000419713277 447366560 /nfs/dbraw/zinc/36/65/60/447366560.db2.gz VKWWPKYCTKDOBD-AWEZNQCLSA-N 1 0 342.443 1.171 20 10 EDCDRO Oc1cc2c(cc1CN1CCN(CC[NH+]3CCCC3)CC1)OCO2 ZINC000119536099 441940034 /nfs/dbraw/zinc/94/00/34/441940034.db2.gz YZNQTYSZCQNHTL-UHFFFAOYSA-N 1 0 333.432 1.334 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1F ZINC000152042119 442157946 /nfs/dbraw/zinc/15/79/46/442157946.db2.gz NESYWROBBJPLOJ-UHFFFAOYSA-N 1 0 331.457 1.701 20 10 EDCDRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155699638 442420569 /nfs/dbraw/zinc/42/05/69/442420569.db2.gz IPGMBZBRYOGRME-UHFFFAOYSA-N 1 0 346.475 1.782 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)cc1F ZINC000178867934 442507894 /nfs/dbraw/zinc/50/78/94/442507894.db2.gz NUAWHWDSCKUEHF-MRXNPFEDSA-N 1 0 325.359 1.185 20 10 EDCDRO O=S(=O)([C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1)N1CCCC1 ZINC000180281379 442573237 /nfs/dbraw/zinc/57/32/37/442573237.db2.gz XTEGFMVPGBBQLW-CQSZACIVSA-N 1 0 328.409 1.531 20 10 EDCDRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000180838430 442663791 /nfs/dbraw/zinc/66/37/91/442663791.db2.gz LVRVJAVZAAVJQH-UHFFFAOYSA-N 1 0 328.409 1.578 20 10 EDCDRO Cc1ccc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(O)c1O ZINC000182519794 442780029 /nfs/dbraw/zinc/78/00/29/442780029.db2.gz VPBVFUNPNFFOHY-HNNXBMFYSA-N 1 0 347.459 1.648 20 10 EDCDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(O)c1O ZINC000182829769 442831472 /nfs/dbraw/zinc/83/14/72/442831472.db2.gz JFVHXBFJQQJIMG-HOTGVXAUSA-N 1 0 348.443 1.904 20 10 EDCDRO O=C(NCc1ccccc1O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000269346393 443288452 /nfs/dbraw/zinc/28/84/52/443288452.db2.gz QRHYDYMMRCKZRD-AEFFLSMTSA-N 1 0 347.459 1.959 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1[C@H](C)O)cc2=O ZINC000264432823 443289584 /nfs/dbraw/zinc/28/95/84/443289584.db2.gz OQEYSIPQFDMZHX-FZMZJTMJSA-N 1 0 348.403 1.347 20 10 EDCDRO COc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)c1O ZINC000278607273 443377148 /nfs/dbraw/zinc/37/71/48/443377148.db2.gz CSURWMYDGJBEQT-UHFFFAOYSA-N 1 0 335.429 1.984 20 10 EDCDRO O=C(CCc1ncc[nH]1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000282956210 443479663 /nfs/dbraw/zinc/47/96/63/443479663.db2.gz FIHDYAMVVVYPQY-UHFFFAOYSA-N 1 0 342.443 1.867 20 10 EDCDRO C[NH+](C)C/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000267510509 443480599 /nfs/dbraw/zinc/48/05/99/443480599.db2.gz ZGXJFKQSPVWSHT-ONEGZZNKSA-N 1 0 335.423 1.521 20 10 EDCDRO CCc1nnc([C@@H]2CN(Cc3cc(OC)c(OC)cc3O)CCO2)[nH]1 ZINC000271859200 443515689 /nfs/dbraw/zinc/51/56/89/443515689.db2.gz YDLZOAYNTBNPKG-HNNXBMFYSA-N 1 0 348.403 1.663 20 10 EDCDRO CCOC(=O)CN(C)C(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265349779 443612612 /nfs/dbraw/zinc/61/26/12/443612612.db2.gz CWGGABKSWKIVPF-UHFFFAOYSA-N 1 0 347.459 1.739 20 10 EDCDRO CC[C@H]1CC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000292537829 443799713 /nfs/dbraw/zinc/79/97/13/443799713.db2.gz XMMKKDLVBCNWGK-HNNXBMFYSA-N 1 0 335.423 1.763 20 10 EDCDRO COc1cccc(C[N@@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1O ZINC000285555942 444026509 /nfs/dbraw/zinc/02/65/09/444026509.db2.gz RAIIQMNWZABLDT-KRWDZBQOSA-N 1 0 332.404 1.667 20 10 EDCDRO CCn1nc(C)c(CNCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000296477230 444232819 /nfs/dbraw/zinc/23/28/19/444232819.db2.gz PVNARLDXUXWAGD-UHFFFAOYSA-N 1 0 333.411 1.872 20 10 EDCDRO C[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366320437 446147975 /nfs/dbraw/zinc/14/79/75/446147975.db2.gz DOSPJUSJOZLLLD-GHMZBOCLSA-N 1 0 331.338 1.875 20 10 EDCDRO CN(C)c1ccc(C2=CC[N@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1 ZINC000366979045 446441447 /nfs/dbraw/zinc/44/14/47/446441447.db2.gz AGRVYLUNYYWOAG-HNNXBMFYSA-N 1 0 349.500 1.733 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000575108865 449036858 /nfs/dbraw/zinc/03/68/58/449036858.db2.gz NEWSVRLMICXMPF-UHFFFAOYSA-N 1 0 329.448 1.191 20 10 EDCDRO CCN1C(=O)C(=CNNc2[nH+]cccc2F)C(=O)N(CC)C1=S ZINC000285144607 535424956 /nfs/dbraw/zinc/42/49/56/535424956.db2.gz OIVRQVOZMRKCHO-UHFFFAOYSA-N 1 0 337.380 1.017 20 10 EDCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(O)c1 ZINC000742390470 579450512 /nfs/dbraw/zinc/45/05/12/579450512.db2.gz ICOBLOZXRQFYOK-BLLLJJGKSA-N 1 0 344.415 1.808 20 10 EDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759584781 580009724 /nfs/dbraw/zinc/00/97/24/580009724.db2.gz ZUIAFGJJDGRLHD-GFCCVEGCSA-N 1 0 344.506 1.645 20 10 EDCDRO CCN(CC)c1ccc(C[N@H+](C)CCCS(=O)(=O)NC)cc1 ZINC000734844827 578839863 /nfs/dbraw/zinc/83/98/63/578839863.db2.gz YCJGZSOSJGNURA-UHFFFAOYSA-N 1 0 327.494 1.904 20 10 EDCDRO Cc1ccnc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000768463467 580213928 /nfs/dbraw/zinc/21/39/28/580213928.db2.gz UOUQFHMQDVMQPT-QGZVFWFLSA-N 1 0 341.411 1.844 20 10 EDCDRO C[C@H]([NH2+]CC(=O)Nc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000775258848 580387047 /nfs/dbraw/zinc/38/70/47/580387047.db2.gz KXRDTMWROMKHQI-HNNXBMFYSA-N 1 0 340.427 1.629 20 10 EDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000776485983 580418433 /nfs/dbraw/zinc/41/84/33/580418433.db2.gz BYFIMFWOHRKGCA-DLBZAZTESA-N 1 0 335.448 1.152 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@]34CCOC4=O)cc2)CC1 ZINC000779199321 580480909 /nfs/dbraw/zinc/48/09/09/580480909.db2.gz XVNQAKNNVYKFOB-LJQANCHMSA-N 1 0 329.444 1.720 20 10 EDCDRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c1O ZINC000780991757 580539661 /nfs/dbraw/zinc/53/96/61/580539661.db2.gz MKZGPDIWMBIQSX-BPLDGKMQSA-N 1 0 334.416 1.730 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000785439157 580644779 /nfs/dbraw/zinc/64/47/79/580644779.db2.gz MCTCLKRHRXJRFF-CQSZACIVSA-N 1 0 348.491 1.461 20 10 EDCDRO Cc1ccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c(O)c1O ZINC000791816159 580802704 /nfs/dbraw/zinc/80/27/04/580802704.db2.gz WGXRRKRMLXAGPY-UHFFFAOYSA-N 1 0 336.432 1.979 20 10 EDCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)S1=O ZINC000792192495 580813061 /nfs/dbraw/zinc/81/30/61/580813061.db2.gz OOEBBRGHXUBGQW-HOTGVXAUSA-N 1 0 335.517 1.780 20 10 EDCDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000793045297 580834645 /nfs/dbraw/zinc/83/46/45/580834645.db2.gz YVBCDKZVRSHXBY-QGPMSJSTSA-N 1 0 331.460 1.903 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)C(C)C)cc2F)CC1 ZINC000796233030 580948858 /nfs/dbraw/zinc/94/88/58/580948858.db2.gz QSCCGPGZYHVJQZ-QGZVFWFLSA-N 1 0 337.439 1.601 20 10 EDCDRO COc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000796502032 580955073 /nfs/dbraw/zinc/95/50/73/580955073.db2.gz HMWNUHMWKAWMBZ-GOOCMWNKSA-N 1 0 347.459 1.574 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000797097848 580968155 /nfs/dbraw/zinc/96/81/55/580968155.db2.gz YVIDHWGIDHNLLB-QWHCGFSZSA-N 1 0 342.461 1.866 20 10 EDCDRO CNC(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247443 591016600 /nfs/dbraw/zinc/01/66/00/591016600.db2.gz HJLIBSGTDHASDL-MRXNPFEDSA-N 1 0 334.464 1.388 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000891252174 591019723 /nfs/dbraw/zinc/01/97/23/591019723.db2.gz HVCYIKSFZHCJKP-INIZCTEOSA-N 1 0 343.431 1.088 20 10 EDCDRO Cc1nn(C)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252654 591020560 /nfs/dbraw/zinc/02/05/60/591020560.db2.gz LWCSFPNSGAGMNP-KRWDZBQOSA-N 1 0 329.448 1.827 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)ccc2=O)[NH+](C)C)cc1 ZINC000891256869 591022153 /nfs/dbraw/zinc/02/21/53/591022153.db2.gz AWDOIXNYUSJDTD-QGZVFWFLSA-N 1 0 342.443 1.484 20 10 EDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892668576 591119857 /nfs/dbraw/zinc/11/98/57/591119857.db2.gz NSMQOTPLRLTZIP-ZBFHGGJFSA-N 1 0 338.473 1.436 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000894016670 591171565 /nfs/dbraw/zinc/17/15/65/591171565.db2.gz HRUOQMHIDYIKOH-LBPRGKRZSA-N 1 0 328.434 1.210 20 10 EDCDRO COC(=O)c1c(C[NH2+]CCNC(=O)C2CC2)c2cc(F)ccc2n1C ZINC000894148049 591208128 /nfs/dbraw/zinc/20/81/28/591208128.db2.gz RERGVTMUPHKXNN-UHFFFAOYSA-N 1 0 347.390 1.720 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895830821 591284076 /nfs/dbraw/zinc/28/40/76/591284076.db2.gz JNYHREBLDUVNHF-BXUZGUMPSA-N 1 0 325.361 1.077 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c(O)c1OC ZINC000894526815 591333214 /nfs/dbraw/zinc/33/32/14/591333214.db2.gz HPQKXUNMJCQCIZ-GUYCJALGSA-N 1 0 331.368 1.994 20 10 EDCDRO O=C1C[C@]2([NH2+]Cc3ccc(N4CCOCC4)cc3)CCCC[C@@H]2N1 ZINC000898467526 591367203 /nfs/dbraw/zinc/36/72/03/591367203.db2.gz NGLPFVQSERCEJN-PKOBYXMFSA-N 1 0 329.444 1.814 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1O ZINC000894671766 591383377 /nfs/dbraw/zinc/38/33/77/591383377.db2.gz CJZKDIMGIDZGSV-GXTWGEPZSA-N 1 0 342.461 1.517 20 10 EDCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c2cc(F)ccc2n1C ZINC000894787865 591418789 /nfs/dbraw/zinc/41/87/89/591418789.db2.gz WOSOTCFNDHXAFD-NSHDSACASA-N 1 0 347.390 1.801 20 10 EDCDRO CC[NH+]1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897597900 591576130 /nfs/dbraw/zinc/57/61/30/591576130.db2.gz DCFOCIQAXGUSOR-UHFFFAOYSA-N 1 0 349.456 1.680 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1CS(N)(=O)=O ZINC000897608121 591583780 /nfs/dbraw/zinc/58/37/80/591583780.db2.gz VJWDTVIBTCEGPS-PWSUYJOCSA-N 1 0 347.431 1.387 20 10 EDCDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000897301885 591822805 /nfs/dbraw/zinc/82/28/05/591822805.db2.gz WMRNONDZHZUEAL-CYBMUJFWSA-N 1 0 326.194 1.711 20 10 EDCDRO CC(C)CN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898329989 591872935 /nfs/dbraw/zinc/87/29/35/591872935.db2.gz UQJCLROERWIIRP-UHFFFAOYSA-N 1 0 346.475 1.169 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000898349251 591881928 /nfs/dbraw/zinc/88/19/28/591881928.db2.gz XYCOXKSIFOVSLK-UONOGXRCSA-N 1 0 338.404 1.248 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@H](CCF)C2=O)[NH+](C)C)cc1 ZINC000900185821 591933075 /nfs/dbraw/zinc/93/30/75/591933075.db2.gz SFJLXOFAEFCANF-HUUCEWRRSA-N 1 0 336.411 1.635 20 10 EDCDRO c1c([C@H]2CCC[NH2+]C2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900600771 592065348 /nfs/dbraw/zinc/06/53/48/592065348.db2.gz KJBHJCLMRQDGAM-INIZCTEOSA-N 1 0 327.432 1.630 20 10 EDCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCS(=O)(=O)C1 ZINC000903364781 592159565 /nfs/dbraw/zinc/15/95/65/592159565.db2.gz BSLVCEIWHMDIDE-XJKSGUPXSA-N 1 0 327.446 1.863 20 10 EDCDRO Cc1nc(CC2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)no1 ZINC000905732760 592631240 /nfs/dbraw/zinc/63/12/40/592631240.db2.gz BATAPMXJRYMANO-MRXNPFEDSA-N 1 0 345.399 1.964 20 10 EDCDRO Cc1cc(C)c(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000911667733 592974642 /nfs/dbraw/zinc/97/46/42/592974642.db2.gz RMXDHZSPVDISLF-KRWDZBQOSA-N 1 0 342.443 1.829 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1 ZINC000911890933 593031687 /nfs/dbraw/zinc/03/16/87/593031687.db2.gz DMQZKURDIPMSFY-QAPCUYQASA-N 1 0 335.448 1.045 20 10 EDCDRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(N(C)C)cc1 ZINC000838560442 593187733 /nfs/dbraw/zinc/18/77/33/593187733.db2.gz XDWYYMWLMLTYFU-MAUKXSAKSA-N 1 0 348.491 1.960 20 10 EDCDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840157283 593315531 /nfs/dbraw/zinc/31/55/31/593315531.db2.gz FQONYNDILHNSNI-AWEZNQCLSA-N 1 0 338.404 1.775 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@](C)(CO)C(C)C)CC2)cc1 ZINC000810074829 593380467 /nfs/dbraw/zinc/38/04/67/593380467.db2.gz ALMUVODLPYYNFZ-IBGZPJMESA-N 1 0 349.475 1.340 20 10 EDCDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCN(C)CC2)C2CC2)cc1 ZINC000757649869 593384471 /nfs/dbraw/zinc/38/44/71/593384471.db2.gz KALRYFHEWBWXEL-UHFFFAOYSA-N 1 0 330.476 1.491 20 10 EDCDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](C[NH+]4CCCC4)C3)cc2N1 ZINC000814852885 593604935 /nfs/dbraw/zinc/60/49/35/593604935.db2.gz SQYCNUZKCGENAQ-LBPRGKRZSA-N 1 0 346.387 1.848 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000817918399 593648427 /nfs/dbraw/zinc/64/84/27/593648427.db2.gz JAGIGXBEFXLHGM-INIZCTEOSA-N 1 0 346.475 1.298 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000817949114 593651296 /nfs/dbraw/zinc/65/12/96/593651296.db2.gz HTIVGRDMXYCBRZ-IYBDPMFKSA-N 1 0 345.443 1.484 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000817974071 593652714 /nfs/dbraw/zinc/65/27/14/593652714.db2.gz IPCHQCAHWWQZRD-LSDHHAIUSA-N 1 0 347.459 1.717 20 10 EDCDRO [NH3+]CCCn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)nn1 ZINC000817996953 593654756 /nfs/dbraw/zinc/65/47/56/593654756.db2.gz HHJIVWCYOCTIJS-UHFFFAOYSA-N 1 0 329.404 1.141 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000818657689 593710621 /nfs/dbraw/zinc/71/06/21/593710621.db2.gz JPQJVSHGGCXAAR-AWEZNQCLSA-N 1 0 332.448 1.654 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000818657643 593710684 /nfs/dbraw/zinc/71/06/84/593710684.db2.gz INNITZOCQFIWLX-GOEBONIOSA-N 1 0 332.448 1.654 20 10 EDCDRO COc1c(O)c(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000825129822 594133871 /nfs/dbraw/zinc/13/38/71/594133871.db2.gz FZWVDNJXBAXBHO-PWSUYJOCSA-N 1 0 326.349 1.281 20 10 EDCDRO C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000831017990 594539030 /nfs/dbraw/zinc/53/90/30/594539030.db2.gz NCDAPHSARGRLJX-KDOFPFPSSA-N 1 0 332.448 1.635 20 10 EDCDRO O=C(C[NH2+]C[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002583 594546789 /nfs/dbraw/zinc/54/67/89/594546789.db2.gz CCWBURCPEPYYBT-IRXDYDNUSA-N 1 0 348.443 1.668 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1F ZINC000826778790 594573926 /nfs/dbraw/zinc/57/39/26/594573926.db2.gz YYSNWBBNKDRODO-UKRRQHHQSA-N 1 0 335.423 1.823 20 10 EDCDRO CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000829296637 594594453 /nfs/dbraw/zinc/59/44/53/594594453.db2.gz LKQONQVGYUIWSN-MSOLQXFVSA-N 1 0 331.460 1.870 20 10 EDCDRO CO[C@]1(CO)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000826952116 594609054 /nfs/dbraw/zinc/60/90/54/594609054.db2.gz GRPAGPLSODTHGV-LJQANCHMSA-N 1 0 333.476 1.412 20 10 EDCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832173252 594732413 /nfs/dbraw/zinc/73/24/13/594732413.db2.gz PPTSVGDYTLGIQY-OAHLLOKOSA-N 1 0 346.475 1.359 20 10 EDCDRO COc1cccc(OCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832278491 594739814 /nfs/dbraw/zinc/73/98/14/594739814.db2.gz DAHYYTGBCZMMRU-GOSISDBHSA-N 1 0 343.427 1.956 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000840919786 594827844 /nfs/dbraw/zinc/82/78/44/594827844.db2.gz OCCVDJKYFWZAGF-UHFFFAOYSA-N 1 0 332.477 1.817 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000840929580 594829599 /nfs/dbraw/zinc/82/95/99/594829599.db2.gz BOSKZYLGEOONJX-HNNXBMFYSA-N 1 0 325.478 1.575 20 10 EDCDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)c1cccs1 ZINC000841001324 594836978 /nfs/dbraw/zinc/83/69/78/594836978.db2.gz MQJTVPJESBHAJG-ZDUSSCGKSA-N 1 0 332.429 1.688 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000841013018 594838961 /nfs/dbraw/zinc/83/89/61/594838961.db2.gz NHLQDRNTUKZZIL-UHFFFAOYSA-N 1 0 340.427 1.808 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000841032645 594842201 /nfs/dbraw/zinc/84/22/01/594842201.db2.gz INWQRURRVWZTAR-MRXNPFEDSA-N 1 0 330.432 1.684 20 10 EDCDRO C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000841036810 594842602 /nfs/dbraw/zinc/84/26/02/594842602.db2.gz URVUNQICVUJGPF-CQSZACIVSA-N 1 0 340.427 1.844 20 10 EDCDRO O=C(NCCc1ccc(O)c(O)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321565 594884666 /nfs/dbraw/zinc/88/46/66/594884666.db2.gz LBAZRBBKOUDCPD-UHFFFAOYSA-N 1 0 328.372 1.503 20 10 EDCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000841740459 594945682 /nfs/dbraw/zinc/94/56/82/594945682.db2.gz HVTDIOQPKHNYER-ZOBUZTSGSA-N 1 0 346.475 1.963 20 10 EDCDRO C[C@H](NC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000841739795 594945814 /nfs/dbraw/zinc/94/58/14/594945814.db2.gz CDOJEADOAIDSLO-JKSUJKDBSA-N 1 0 346.475 1.965 20 10 EDCDRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841741956 594946023 /nfs/dbraw/zinc/94/60/23/594946023.db2.gz UIQHXAHYLZOQHB-HRCADAONSA-N 1 0 346.475 1.976 20 10 EDCDRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000841741773 594946194 /nfs/dbraw/zinc/94/61/94/594946194.db2.gz QPZPQZDGCJDAQS-CABCVRRESA-N 1 0 332.448 1.588 20 10 EDCDRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000841741687 594946211 /nfs/dbraw/zinc/94/62/11/594946211.db2.gz PKBJHFXXBLLCOQ-RVKKMQEKSA-N 1 0 346.475 1.963 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842010155 595001954 /nfs/dbraw/zinc/00/19/54/595001954.db2.gz FDBIFYYLGXGWTC-GOSISDBHSA-N 1 0 346.475 1.807 20 10 EDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842210442 595040441 /nfs/dbraw/zinc/04/04/41/595040441.db2.gz AJQRVIOSXKJCHG-INIZCTEOSA-N 1 0 346.475 1.393 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842213923 595041359 /nfs/dbraw/zinc/04/13/59/595041359.db2.gz PJGYSCFVRDYDKM-PBHICJAKSA-N 1 0 344.459 1.017 20 10 EDCDRO CC(C)([NH3+])CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842259010 595058138 /nfs/dbraw/zinc/05/81/38/595058138.db2.gz RAEOIGUHVBIKHG-UHFFFAOYSA-N 1 0 345.399 1.368 20 10 EDCDRO COc1cc(Br)cc(C[N@H+](C)CCNC(C)=O)c1O ZINC000843427809 595108485 /nfs/dbraw/zinc/10/84/85/595108485.db2.gz NKVYJNDDKLLHDP-UHFFFAOYSA-N 1 0 331.210 1.731 20 10 EDCDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000842510749 595122978 /nfs/dbraw/zinc/12/29/78/595122978.db2.gz UFNOVPYPOUWQRT-OAHLLOKOSA-N 1 0 328.416 1.679 20 10 EDCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)CC2 ZINC000846153816 595159274 /nfs/dbraw/zinc/15/92/74/595159274.db2.gz KYPZBIFFMGCKOM-RYUDHWBXSA-N 1 0 332.404 1.804 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCN(C)S(C)(=O)=O)cc1 ZINC000835036624 595250930 /nfs/dbraw/zinc/25/09/30/595250930.db2.gz PQSVDLGKSALEQC-ALCCZGGFSA-N 1 0 325.478 1.637 20 10 EDCDRO COc1ccccc1NCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162489 595287978 /nfs/dbraw/zinc/28/79/78/595287978.db2.gz DZRUIXDGFXSGJD-MRXNPFEDSA-N 1 0 342.443 1.989 20 10 EDCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2F)C[C@H](C)O1 ZINC000844172284 595290866 /nfs/dbraw/zinc/29/08/66/595290866.db2.gz DNMYUVJSGJWWPV-MPNFYUGFSA-N 1 0 347.434 1.806 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846673463 595298171 /nfs/dbraw/zinc/29/81/71/595298171.db2.gz UFYQHGNLEAYKMT-YJBOKZPZSA-N 1 0 347.484 1.092 20 10 EDCDRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000844192489 595298318 /nfs/dbraw/zinc/29/83/18/595298318.db2.gz UPNKGDOTWHQSNK-UHFFFAOYSA-N 1 0 325.416 1.597 20 10 EDCDRO COc1cnc(F)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000848393021 595372760 /nfs/dbraw/zinc/37/27/60/595372760.db2.gz MSFREJAYBJFSFF-HNNXBMFYSA-N 1 0 332.379 1.725 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(Cn3cnnc3)CC2)cc1OC ZINC000844736059 595386266 /nfs/dbraw/zinc/38/62/66/595386266.db2.gz UFUZFEXTDPLKLK-UHFFFAOYSA-N 1 0 332.404 1.913 20 10 EDCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3nncn3C)CC2)cc1 ZINC000848925336 595468382 /nfs/dbraw/zinc/46/83/82/595468382.db2.gz SXRWPWGNTOVOSD-UHFFFAOYSA-N 1 0 328.464 1.984 20 10 EDCDRO COc1ccc(N2CCCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000849324581 595505971 /nfs/dbraw/zinc/50/59/71/595505971.db2.gz LYOLRQVKOGZZHO-SFHVURJKSA-N 1 0 335.492 1.908 20 10 EDCDRO CNS(=O)(=O)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232871 595731286 /nfs/dbraw/zinc/73/12/86/595731286.db2.gz KYFCAEFZIFXNIP-OAHLLOKOSA-N 1 0 342.461 1.313 20 10 EDCDRO O=C1CNC(=O)N1CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000109760956 595732618 /nfs/dbraw/zinc/73/26/18/595732618.db2.gz LYSCJDMIDWSZAP-UHFFFAOYSA-N 1 0 343.383 1.929 20 10 EDCDRO COc1cccc(O)c1C[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000858304462 595759038 /nfs/dbraw/zinc/75/90/38/595759038.db2.gz BHYVPHAOGGBXCE-UHFFFAOYSA-N 1 0 344.367 1.900 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccco1 ZINC000111399419 595786460 /nfs/dbraw/zinc/78/64/60/595786460.db2.gz OZOIHMRZNQECOG-HNNXBMFYSA-N 1 0 343.427 1.911 20 10 EDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850355881 595817143 /nfs/dbraw/zinc/81/71/43/595817143.db2.gz MMHMYKAJPRENGH-GOEBONIOSA-N 1 0 338.473 1.579 20 10 EDCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000850427280 595831998 /nfs/dbraw/zinc/83/19/98/595831998.db2.gz QOBNFISFFPIBMY-HNNXBMFYSA-N 1 0 329.448 1.665 20 10 EDCDRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851679489 595882263 /nfs/dbraw/zinc/88/22/63/595882263.db2.gz BXWFHUWCAVYKEH-IBGZPJMESA-N 1 0 346.475 1.528 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000851690023 595886861 /nfs/dbraw/zinc/88/68/61/595886861.db2.gz UTTINUSFVALMMX-UHFFFAOYSA-N 1 0 346.475 1.489 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2coc(S(N)(=O)=O)c2)c1 ZINC000851899575 595967898 /nfs/dbraw/zinc/96/78/98/595967898.db2.gz AAINWUOKNROBST-SECBINFHSA-N 1 0 326.374 1.492 20 10 EDCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854218605 596005836 /nfs/dbraw/zinc/00/58/36/596005836.db2.gz ZEAKAFWWNUFQNP-KBRIMQKVSA-N 1 0 333.432 1.157 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C[NH+](C)C)C3)C2)cc1 ZINC000854298631 596025876 /nfs/dbraw/zinc/02/58/76/596025876.db2.gz HGIZYOFETQPRTG-CVEARBPZSA-N 1 0 346.475 1.867 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000861679885 596065907 /nfs/dbraw/zinc/06/59/07/596065907.db2.gz CMGAKBHZUTVHLM-MRXNPFEDSA-N 1 0 334.464 1.663 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861682955 596067228 /nfs/dbraw/zinc/06/72/28/596067228.db2.gz ZGXMYNQDIQCDHP-INIZCTEOSA-N 1 0 334.464 1.661 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000861767597 596096041 /nfs/dbraw/zinc/09/60/41/596096041.db2.gz OIRKZZFEMPZZLI-BBRMVZONSA-N 1 0 344.459 1.331 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857086511 596154674 /nfs/dbraw/zinc/15/46/74/596154674.db2.gz LERJRQZUSSMEON-VQIMIIECSA-N 1 0 330.476 1.524 20 10 EDCDRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Cl)ccc1O ZINC000866551978 596246704 /nfs/dbraw/zinc/24/67/04/596246704.db2.gz FAGXLXAVMZHQAG-ZBEGNZNMSA-N 1 0 340.807 1.324 20 10 EDCDRO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000862504000 596338779 /nfs/dbraw/zinc/33/87/79/596338779.db2.gz NWQXCKWLIHOBEG-UHFFFAOYSA-N 1 0 346.475 1.231 20 10 EDCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000862527460 596340576 /nfs/dbraw/zinc/34/05/76/596340576.db2.gz AOMRGCHXMCFWLN-UHFFFAOYSA-N 1 0 328.796 1.513 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000862551763 596344840 /nfs/dbraw/zinc/34/48/40/596344840.db2.gz PLAKMNOHEIKGED-LBPRGKRZSA-N 1 0 328.434 1.162 20 10 EDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cn[nH]c1 ZINC000122720446 596590280 /nfs/dbraw/zinc/59/02/80/596590280.db2.gz YMRYBGJJIPNYFU-UHFFFAOYSA-N 1 0 339.443 1.872 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)nc(N)n3)cc2F)CC1 ZINC000865524751 596599829 /nfs/dbraw/zinc/59/98/29/596599829.db2.gz NZFDANPADDMNLV-UHFFFAOYSA-N 1 0 345.426 1.655 20 10 EDCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000865706619 596655611 /nfs/dbraw/zinc/65/56/11/596655611.db2.gz XTWAPDLPIOFDKB-UHFFFAOYSA-N 1 0 344.477 1.727 20 10 EDCDRO COc1cc([N+](=O)[O-])c(N2CCC[C@](O)(C[NH+](C)C)C2)cc1OC ZINC000865923718 596723621 /nfs/dbraw/zinc/72/36/21/596723621.db2.gz AIXFXUFGIMKLLA-INIZCTEOSA-N 1 0 339.392 1.505 20 10 EDCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000866417946 596881600 /nfs/dbraw/zinc/88/16/00/596881600.db2.gz CEMFEQNADHWIGO-XZJROXQQSA-N 1 0 326.824 1.587 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCNC(=O)CC3)cc2)C1 ZINC000873022625 597163183 /nfs/dbraw/zinc/16/31/83/597163183.db2.gz UNMDWVDEKAZBTF-CVEARBPZSA-N 1 0 344.459 1.147 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(F)(F)C2CCOCC2)cc1 ZINC000876506380 597224442 /nfs/dbraw/zinc/22/44/42/597224442.db2.gz ITXCJWOUTAYGNM-HNNXBMFYSA-N 1 0 341.402 1.931 20 10 EDCDRO C[S@@](=O)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]CC1 ZINC000876728614 597309058 /nfs/dbraw/zinc/30/90/58/597309058.db2.gz QTKUOSQWJMFMKB-XMMPIXPASA-N 1 0 349.500 1.404 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876733099 597311896 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C[NH+]1CCN(c2ccc(CNC(=O)Cc3cncc(O)c3)cc2)CC1 ZINC000881852645 597755394 /nfs/dbraw/zinc/75/53/94/597755394.db2.gz ATLRDCKXKAKURB-UHFFFAOYSA-N 1 0 340.427 1.398 20 10 EDCDRO Cn1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC000881853287 597755741 /nfs/dbraw/zinc/75/57/41/597755741.db2.gz PPPXSIXMOKJALJ-UHFFFAOYSA-N 1 0 347.850 1.755 20 10 EDCDRO CCO[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000881855176 597757559 /nfs/dbraw/zinc/75/75/59/597757559.db2.gz QJAXJIGRTBTZEY-GOSISDBHSA-N 1 0 331.460 1.870 20 10 EDCDRO COC1CCN(c2ccc(CN(C)CCS(N)(=O)=O)cc2)CC1 ZINC000880085262 597836901 /nfs/dbraw/zinc/83/69/01/597836901.db2.gz GZQDCLNIZMOKNE-UHFFFAOYSA-N 1 0 341.477 1.022 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000154990207 697289932 /nfs/dbraw/zinc/28/99/32/697289932.db2.gz ZNPXANLNFVRGGZ-SECBINFHSA-N 1 0 343.221 1.861 20 10 EDCDRO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179569940 698234477 /nfs/dbraw/zinc/23/44/77/698234477.db2.gz 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Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905291581 592486359 /nfs/dbraw/zinc/48/63/59/592486359.db2.gz NIODLFVEQDJPCA-YJBOKZPZSA-N 1 0 336.476 1.484 20 10 EDCDRO CCN(C)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908457552 592507486 /nfs/dbraw/zinc/50/74/86/592507486.db2.gz FTZKFJDPVWOLHC-HNNXBMFYSA-N 1 0 328.482 1.141 20 10 EDCDRO CCN(CC)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908458207 592507725 /nfs/dbraw/zinc/50/77/25/592507725.db2.gz UAVBNFDUGFNHDY-MRXNPFEDSA-N 1 0 342.509 1.532 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C2CN(C)CC[N@H+](C)C2)cc1 ZINC000905456841 592540416 /nfs/dbraw/zinc/54/04/16/592540416.db2.gz KBRQWKYNWKTUMY-UHFFFAOYSA-N 1 0 346.519 1.985 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000911225040 592969051 /nfs/dbraw/zinc/96/90/51/592969051.db2.gz ANCZXSYFVMZJJG-YCPHGPKFSA-N 1 0 346.475 1.373 20 10 EDCDRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000911229015 592970203 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O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC(=O)N1 ZINC000830543884 594418866 /nfs/dbraw/zinc/41/88/66/594418866.db2.gz HZFQXXWHFPJUTF-CHWSQXEVSA-N 1 0 337.807 1.015 20 10 EDCDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003439 594546589 /nfs/dbraw/zinc/54/65/89/594546589.db2.gz MZUSJIXJCVNCED-BXWFABGCSA-N 1 0 330.428 1.899 20 10 EDCDRO O=C(C[C@@H]1COCC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003074 594546686 /nfs/dbraw/zinc/54/66/86/594546686.db2.gz IIBWYZIOKWAXNC-HZPDHXFCSA-N 1 0 334.416 1.278 20 10 EDCDRO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000826707420 594561285 /nfs/dbraw/zinc/56/12/85/594561285.db2.gz UFHOPKZMQLSBSV-QGZVFWFLSA-N 1 0 346.475 1.312 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000831198022 594579735 /nfs/dbraw/zinc/57/97/35/594579735.db2.gz YOJJHXHUSIGUQX-RRFJBIMHSA-N 1 0 334.464 1.947 20 10 EDCDRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000827320487 594660938 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EDCDRO COC(=O)[C@H]1CN(Cc2c(O)cc(C)cc2Cl)CC[N@H+](C)C1 ZINC000840957072 594832668 /nfs/dbraw/zinc/83/26/68/594832668.db2.gz IJLBRMJWFRDHBD-GFCCVEGCSA-N 1 0 326.824 1.891 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841707318 594940876 /nfs/dbraw/zinc/94/08/76/594940876.db2.gz QFECJPFVJQQYKP-IYBDPMFKSA-N 1 0 346.500 1.601 20 10 EDCDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841739786 594945763 /nfs/dbraw/zinc/94/57/63/594945763.db2.gz CBRKBEBTUYMWLP-ZQIUZPCESA-N 1 0 332.448 1.715 20 10 EDCDRO O=C(NCC[NH2+]C1CC1)NCc1cccc(Br)c1O ZINC000841928525 594983745 /nfs/dbraw/zinc/98/37/45/594983745.db2.gz NARIOXHERVNLFK-UHFFFAOYSA-N 1 0 328.210 1.706 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842203173 595037021 /nfs/dbraw/zinc/03/70/21/595037021.db2.gz QCFKPRXYLSBLKX-DVOMOZLQSA-N 1 0 332.448 1.044 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000842206075 595038325 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[NH3+]Cc1ccc2c(c1)CCCN2CCN1C(=O)NC2(CCCC2)C1=O ZINC000843350839 595083793 /nfs/dbraw/zinc/08/37/93/595083793.db2.gz WGWHSMZWVHRXFH-UHFFFAOYSA-N 1 0 342.443 1.763 20 10 EDCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000843487695 595126742 /nfs/dbraw/zinc/12/67/42/595126742.db2.gz KUMZRYDTLSUJJC-YRXWBPOGSA-N 1 0 343.471 1.726 20 10 EDCDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000846209331 595175139 /nfs/dbraw/zinc/17/51/39/595175139.db2.gz QLDXYOGALCWYNQ-AWEZNQCLSA-N 1 0 335.423 1.935 20 10 EDCDRO CCOC[C@H](C)CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786296 595198093 /nfs/dbraw/zinc/19/80/93/595198093.db2.gz VTIQBXJPYZTYBK-BBRMVZONSA-N 1 0 343.493 1.344 20 10 EDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835053566 595253683 /nfs/dbraw/zinc/25/36/83/595253683.db2.gz DHYSEDGFEGUPRQ-LQYUOIDQSA-N 1 0 325.478 1.683 20 10 EDCDRO O=C([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)N1CC[NH2+]CC1 ZINC000843047598 595273017 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ZINC000052923165 441487860 /nfs/dbraw/zinc/48/78/60/441487860.db2.gz FGUPANHPHCYCNJ-UHFFFAOYSA-N 1 0 335.448 1.048 20 10 EDCDRO O=C1CCC(=O)N1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000121051966 442170070 /nfs/dbraw/zinc/17/00/70/442170070.db2.gz LDGWTIPWRFUFLW-OAHLLOKOSA-N 1 0 332.400 1.522 20 10 EDCDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000166151630 442214218 /nfs/dbraw/zinc/21/42/18/442214218.db2.gz DVPTYNRUNDHKPG-DAYGRLMNSA-N 1 0 331.460 1.912 20 10 EDCDRO CCN1CC[NH+](C[C@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180777268 442658245 /nfs/dbraw/zinc/65/82/45/442658245.db2.gz ZRURTJJFADRZPY-KEDPEKRHSA-N 1 0 347.459 1.501 20 10 EDCDRO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000266187924 443050918 /nfs/dbraw/zinc/05/09/18/443050918.db2.gz MQNAARBPLWCCKD-UHFFFAOYSA-N 1 0 338.473 1.914 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000237993192 443191804 /nfs/dbraw/zinc/19/18/04/443191804.db2.gz BEIWQJGOBQIRFI-JZLODUJNSA-N 1 0 329.444 1.652 20 10 EDCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278393983 443317794 /nfs/dbraw/zinc/31/77/94/443317794.db2.gz NFBCBYRDCSWPTG-GFCCVEGCSA-N 1 0 326.349 1.546 20 10 EDCDRO CCOc1cccc(C[NH2+]CC2(OCCO)CCOCC2)c1O ZINC000282639911 443396201 /nfs/dbraw/zinc/39/62/01/443396201.db2.gz KHQSBXSYLCRDLU-UHFFFAOYSA-N 1 0 325.405 1.439 20 10 EDCDRO CCOc1cccc(C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)c1O ZINC000278812747 443449313 /nfs/dbraw/zinc/44/93/13/443449313.db2.gz YSMCUKXYZDQSNE-GOEBONIOSA-N 1 0 339.432 1.637 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000279189813 443529885 /nfs/dbraw/zinc/52/98/85/443529885.db2.gz DVCPHFPSRVINLB-AEFFLSMTSA-N 1 0 333.476 1.852 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nonc3C)cc2F)CC1 ZINC000265138155 443545951 /nfs/dbraw/zinc/54/59/51/443545951.db2.gz QATSKKCCJOVTLA-UHFFFAOYSA-N 1 0 347.394 1.589 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C[NH3+])CCOCC1 ZINC000284800585 443789497 /nfs/dbraw/zinc/78/94/97/443789497.db2.gz HZQXMBBGHJEARN-UHFFFAOYSA-N 1 0 347.459 1.237 20 10 EDCDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000292027618 443774012 /nfs/dbraw/zinc/77/40/12/443774012.db2.gz XHSSVJHXCBHQKQ-LLVKDONJSA-N 1 0 343.449 1.222 20 10 EDCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298603837 443814088 /nfs/dbraw/zinc/81/40/88/443814088.db2.gz SMOKFKFKBFTCLO-QFBILLFUSA-N 1 0 344.503 1.927 20 10 EDCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292868637 443865318 /nfs/dbraw/zinc/86/53/18/443865318.db2.gz WEGJCARXMPIZBV-ZDUSSCGKSA-N 1 0 328.434 1.257 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@H]1CCCCO1)cc2=O ZINC000299072153 443946457 /nfs/dbraw/zinc/94/64/57/443946457.db2.gz PQNZBEVBCHSWCP-CYBMUJFWSA-N 1 0 348.403 1.613 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCOC[C@@H]1C)cc2=O ZINC000277316380 443962892 /nfs/dbraw/zinc/96/28/92/443962892.db2.gz DFHHHYQMIGGXLQ-GWCFXTLKSA-N 1 0 334.376 1.126 20 10 EDCDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000277360904 443967103 /nfs/dbraw/zinc/96/71/03/443967103.db2.gz BVYUQCSJWLPBRN-BRLCTZTBSA-N 1 0 329.444 1.651 20 10 EDCDRO CCCOc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c(O)c1 ZINC000285508399 444010674 /nfs/dbraw/zinc/01/06/74/444010674.db2.gz NUNBDZSBHHCPKK-UHFFFAOYSA-N 1 0 347.415 1.791 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285702803 444077593 /nfs/dbraw/zinc/07/75/93/444077593.db2.gz CAVOWLDQUQJUFV-FXAWDEMLSA-N 1 0 343.471 1.919 20 10 EDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000289511036 444162468 /nfs/dbraw/zinc/16/24/68/444162468.db2.gz GTOPOFWPSHRTGT-DZGCQCFKSA-N 1 0 326.462 1.898 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CC(C)(C)CO)cc2=O ZINC000295184644 444168984 /nfs/dbraw/zinc/16/89/84/444168984.db2.gz IOSCJZUUSZAESX-UHFFFAOYSA-N 1 0 336.392 1.062 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000296500132 444233757 /nfs/dbraw/zinc/23/37/57/444233757.db2.gz QZUAFIYAMJLZJP-JTDSTZFVSA-N 1 0 333.476 1.973 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000290651719 444306290 /nfs/dbraw/zinc/30/62/90/444306290.db2.gz ZCAUPNCOWDFKBX-JTQLQIEISA-N 1 0 333.837 1.969 20 10 EDCDRO COc1cccc(C[N@@H+]2CC[C@](O)(c3nc(C4CC4)no3)C2)c1O ZINC000290498718 444288116 /nfs/dbraw/zinc/28/81/16/444288116.db2.gz PAAPZRNKQHVQFF-QGZVFWFLSA-N 1 0 331.372 1.755 20 10 EDCDRO O=C1CO[C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2N1 ZINC000366765721 446340627 /nfs/dbraw/zinc/34/06/27/446340627.db2.gz FFDCZKPDYLQATK-MSOLQXFVSA-N 1 0 329.444 1.766 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](OC)CC1)cc2=O ZINC000376285479 446414316 /nfs/dbraw/zinc/41/43/16/446414316.db2.gz MXGOJBCRQVVSPW-CYBMUJFWSA-N 1 0 348.403 1.613 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C2CC2)cc1 ZINC000376615678 446605914 /nfs/dbraw/zinc/60/59/14/446605914.db2.gz REPJLJFISHFBTA-LJQANCHMSA-N 1 0 342.487 1.634 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000530109262 449053854 /nfs/dbraw/zinc/05/38/54/449053854.db2.gz YWXZDUUGHHPPBU-KGLIPLIRSA-N 1 0 325.430 1.861 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N(C)CC[NH+](C)C)C2CC2)cc1 ZINC000297852874 517902519 /nfs/dbraw/zinc/90/25/19/517902519.db2.gz MNVUUMXQQDXZFT-UHFFFAOYSA-N 1 0 346.475 1.264 20 10 EDCDRO C[NH+]1CCC(O)(CNC(=O)NCCCSc2nccs2)CC1 ZINC000759600419 580010079 /nfs/dbraw/zinc/01/00/79/580010079.db2.gz FCYDYJDMCSZUFJ-UHFFFAOYSA-N 1 0 344.506 1.381 20 10 EDCDRO COC(=O)c1cc2ccccc2c(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000738270376 579180285 /nfs/dbraw/zinc/18/02/85/579180285.db2.gz WBQIQJLPVAOXDN-INIZCTEOSA-N 1 0 342.395 1.995 20 10 EDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000777221064 580437478 /nfs/dbraw/zinc/43/74/78/580437478.db2.gz YNPAGATYTBMBHR-SUMWQHHRSA-N 1 0 341.404 1.320 20 10 EDCDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746318005 579586898 /nfs/dbraw/zinc/58/68/98/579586898.db2.gz VUZPMPQMVMGGLB-UHFFFAOYSA-N 1 0 337.439 1.791 20 10 EDCDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)nc2)CC1 ZINC000746331402 579587896 /nfs/dbraw/zinc/58/78/96/579587896.db2.gz XWEZOLDVXLEEOO-UHFFFAOYSA-N 1 0 325.416 1.597 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000748241687 579676815 /nfs/dbraw/zinc/67/68/15/579676815.db2.gz DYHTWVHRFVWWOO-LLVKDONJSA-N 1 0 343.221 1.874 20 10 EDCDRO COC[C@@](C)(CCO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000754668480 579909149 /nfs/dbraw/zinc/90/91/49/579909149.db2.gz OXDIIMUOJJBBGK-GOSISDBHSA-N 1 0 337.464 1.088 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000754725722 579910160 /nfs/dbraw/zinc/91/01/60/579910160.db2.gz AHJUNEQGJMTEIZ-CQSZACIVSA-N 1 0 342.461 1.613 20 10 EDCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465500 580214106 /nfs/dbraw/zinc/21/41/06/580214106.db2.gz IEVHYYBGLRYQAS-KBXCAEBGSA-N 1 0 332.444 1.982 20 10 EDCDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000770223863 580255916 /nfs/dbraw/zinc/25/59/16/580255916.db2.gz XKXUQGBZVUPNHT-UHFFFAOYSA-N 1 0 338.364 1.834 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000773962384 580350445 /nfs/dbraw/zinc/35/04/45/580350445.db2.gz IHTJPJHKKJWTQH-HKUYNNGSSA-N 1 0 336.476 1.989 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@@]2(CCO)CCOC2)c1O ZINC000775030290 580381243 /nfs/dbraw/zinc/38/12/43/580381243.db2.gz SHQXZQXMAJWSFR-AWEZNQCLSA-N 1 0 346.221 1.794 20 10 EDCDRO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258958 580387044 /nfs/dbraw/zinc/38/70/44/580387044.db2.gz CORJIKVKYHVXPB-OAHLLOKOSA-N 1 0 340.489 1.999 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000775835397 580402177 /nfs/dbraw/zinc/40/21/77/580402177.db2.gz YAOLFYJJVMRCAR-CQSZACIVSA-N 1 0 329.448 1.795 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC[C@@H]2OCCOC)c1 ZINC000776812810 580429434 /nfs/dbraw/zinc/42/94/34/580429434.db2.gz NFJMRHLIWJMOAR-RDJZCZTQSA-N 1 0 325.405 1.701 20 10 EDCDRO CN1CC[NH+](CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779494916 580487189 /nfs/dbraw/zinc/48/71/89/580487189.db2.gz AVIGDGMBAVOBRH-FNORWQNLSA-N 1 0 333.432 1.255 20 10 EDCDRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCCc1ccc(N)cc1 ZINC000892039172 590765386 /nfs/dbraw/zinc/76/53/86/590765386.db2.gz QWLSCKIKUYIBCK-UHFFFAOYSA-N 1 0 348.491 1.811 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)C(N)=O)[NH+](C)C)cc1 ZINC000892098516 590797969 /nfs/dbraw/zinc/79/79/69/590797969.db2.gz GFWHYPYDDFGBIU-HNNXBMFYSA-N 1 0 349.479 1.166 20 10 EDCDRO CNC(=O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892233618 590878388 /nfs/dbraw/zinc/87/83/88/590878388.db2.gz HBXJLUKTQQWMPC-INIZCTEOSA-N 1 0 349.479 1.181 20 10 EDCDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(O)c1OC ZINC000892246344 590885431 /nfs/dbraw/zinc/88/54/31/590885431.db2.gz LVNICGCVWZXQQH-KGLIPLIRSA-N 1 0 334.416 1.900 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H](O)c2ccccn2)[NH+](C)C)cc1 ZINC000891246751 591015964 /nfs/dbraw/zinc/01/59/64/591015964.db2.gz CUUUWVRBBDGGNK-ZWKOTPCHSA-N 1 0 342.443 1.600 20 10 EDCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cncn1 ZINC000891247194 591016778 /nfs/dbraw/zinc/01/67/78/591016778.db2.gz GWUDUONCDHHNCM-BBRMVZONSA-N 1 0 330.436 1.324 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c(=O)n2C)[NH+](C)C)cc1 ZINC000891248100 591017826 /nfs/dbraw/zinc/01/78/26/591017826.db2.gz VTOMXOTZFZYVMJ-AWEZNQCLSA-N 1 0 331.420 1.224 20 10 EDCDRO Cc1nnc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891249525 591017874 /nfs/dbraw/zinc/01/78/74/591017874.db2.gz RIGOMMPMQNEWAY-OAHLLOKOSA-N 1 0 331.420 1.406 20 10 EDCDRO CCn1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891249244 591018057 /nfs/dbraw/zinc/01/80/57/591018057.db2.gz PUJAYEXEQOPTLX-INIZCTEOSA-N 1 0 344.463 1.705 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2cnccn2)[NH+](C)C)cc1 ZINC000891249326 591018245 /nfs/dbraw/zinc/01/82/45/591018245.db2.gz QUMWSXSJUROJQO-GOSISDBHSA-N 1 0 341.459 1.894 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)COC[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000891251919 591020618 /nfs/dbraw/zinc/02/06/18/591020618.db2.gz IBVMQYZTAAHKNZ-QZTJIDSGSA-N 1 0 349.475 1.667 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc(=O)[nH]2)[NH+](C)C)cc1 ZINC000891253370 591020684 /nfs/dbraw/zinc/02/06/84/591020684.db2.gz RRXNPCJDTVBJSA-INIZCTEOSA-N 1 0 328.416 1.886 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)C2=NN(C)C(=O)CC2)[NH+](C)C)cc1 ZINC000891255998 591021961 /nfs/dbraw/zinc/02/19/61/591021961.db2.gz VBTQGTNCJHUPHY-INIZCTEOSA-N 1 0 345.447 1.080 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)[NH+](C)C)cc1 ZINC000891256673 591022168 /nfs/dbraw/zinc/02/21/68/591022168.db2.gz ZQRRNZPPIBBEGL-DOTOQJQBSA-N 1 0 346.475 1.340 20 10 EDCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(C)c2O)CC[N@H+](C)C1 ZINC000840957393 591037416 /nfs/dbraw/zinc/03/74/16/591037416.db2.gz LLRZJMCGYGCLAQ-CYBMUJFWSA-N 1 0 326.824 1.891 20 10 EDCDRO O[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC2(CCOCC2)C1 ZINC000895722704 591260961 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O=S1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000894844062 591439756 /nfs/dbraw/zinc/43/97/56/591439756.db2.gz WBFLQDHGGSPFTH-UHFFFAOYSA-N 1 0 344.427 1.802 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(CO)C2)[NH+](C)C)cc1 ZINC000899097705 591678254 /nfs/dbraw/zinc/67/82/54/591678254.db2.gz FPTWJUGNAGSICE-INIZCTEOSA-N 1 0 334.464 1.379 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N(CCO)C2CC2)[NH+](C)C)cc1 ZINC000899101322 591681818 /nfs/dbraw/zinc/68/18/18/591681818.db2.gz IVBMOBGNIZRHIZ-KRWDZBQOSA-N 1 0 334.464 1.522 20 10 EDCDRO C[C@@H]([NH2+]CCCc1nnnn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903346027 592156774 /nfs/dbraw/zinc/15/67/74/592156774.db2.gz ZQEDFQSZIBHDTC-CYBMUJFWSA-N 1 0 348.426 1.469 20 10 EDCDRO CCOC(=O)CN(C(=O)/C=C/c1cn(C)cn1)c1ccc(F)cn1 ZINC000903489436 592183726 /nfs/dbraw/zinc/18/37/26/592183726.db2.gz MNJLJDCXFOCEOM-FNORWQNLSA-N 1 0 332.335 1.564 20 10 EDCDRO CC(=O)c1cc(F)cc(Cn2cc(CN3CCC([NH3+])CC3)nn2)c1O ZINC000905784303 592648401 /nfs/dbraw/zinc/64/84/01/592648401.db2.gz QQAZDYCXLHGYQF-UHFFFAOYSA-N 1 0 347.394 1.297 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](C(=O)C4CC4)C3)cc2)CC1 ZINC000811502045 593472245 /nfs/dbraw/zinc/47/22/45/593472245.db2.gz HJFHQSIBOBUMRP-LJQANCHMSA-N 1 0 343.471 1.618 20 10 EDCDRO CCC1(C)C[NH+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000812313725 593495742 /nfs/dbraw/zinc/49/57/42/593495742.db2.gz ZGMIHAKLAPONTL-SFHVURJKSA-N 1 0 347.503 1.910 20 10 EDCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814181166 593577911 /nfs/dbraw/zinc/57/79/11/593577911.db2.gz XAGCFAIRXQGOMV-KRWDZBQOSA-N 1 0 331.460 1.964 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](CO)CC2)cc1 ZINC000815276215 593624340 /nfs/dbraw/zinc/62/43/40/593624340.db2.gz FXUDEPVTUDZPDJ-KRWDZBQOSA-N 1 0 333.476 1.805 20 10 EDCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000817903241 593647241 /nfs/dbraw/zinc/64/72/41/593647241.db2.gz LCBMEYBFYNPMTO-QZTJIDSGSA-N 1 0 347.459 1.547 20 10 EDCDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000817903242 593647391 /nfs/dbraw/zinc/64/73/91/593647391.db2.gz LCBMEYBFYNPMTO-ROUUACIJSA-N 1 0 347.459 1.547 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818656763 593710690 /nfs/dbraw/zinc/71/06/90/593710690.db2.gz YEIWMESZIRXVGS-HUUCEWRRSA-N 1 0 334.464 1.819 20 10 EDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)Cn1cccn1 ZINC000818964028 593730720 /nfs/dbraw/zinc/73/07/20/593730720.db2.gz IIRWKVUFQOKGEC-KRWDZBQOSA-N 1 0 332.473 1.587 20 10 EDCDRO COCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818977990 593731815 /nfs/dbraw/zinc/73/18/15/593731815.db2.gz BYABLIRRRQCXCP-CRAIPNDOSA-N 1 0 338.448 1.198 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000819249908 593746682 /nfs/dbraw/zinc/74/66/82/593746682.db2.gz OSFQQGVZOQSPMC-ZIFCJYIRSA-N 1 0 347.503 1.956 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNCC(C)(F)F)CC2)cc1 ZINC000819331911 593751007 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COc1ccc(O)c([C@H](C)NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000828667250 594475888 /nfs/dbraw/zinc/47/58/88/594475888.db2.gz OQKOXMCQAAIISP-NWDGAFQWSA-N 1 0 345.403 1.235 20 10 EDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000831202117 594580359 /nfs/dbraw/zinc/58/03/59/594580359.db2.gz AWZBUSGINUWWEU-HUUCEWRRSA-N 1 0 334.464 1.790 20 10 EDCDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000827259971 594657065 /nfs/dbraw/zinc/65/70/65/594657065.db2.gz NFQOOCNXGWTZRP-NSHDSACASA-N 1 0 345.365 1.896 20 10 EDCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000827457828 594674037 /nfs/dbraw/zinc/67/40/37/594674037.db2.gz IOALQGTUIRBZIK-HUUCEWRRSA-N 1 0 342.418 1.962 20 10 EDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469318 594675182 /nfs/dbraw/zinc/67/51/82/594675182.db2.gz URQLCQRHIYGSHY-UKRRQHHQSA-N 1 0 344.459 1.145 20 10 EDCDRO COC(=O)c1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832274096 594739613 /nfs/dbraw/zinc/73/96/13/594739613.db2.gz SFAAWLHTOQEBDH-KRWDZBQOSA-N 1 0 341.411 1.969 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CNC(=O)CC(C)(C)C)cc1 ZINC000832281720 594740122 /nfs/dbraw/zinc/74/01/22/594740122.db2.gz VUGTYYUMOJARMC-HNNXBMFYSA-N 1 0 334.464 1.421 20 10 EDCDRO C[C@H](NC(=O)c1ccco1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283944 594740267 /nfs/dbraw/zinc/74/02/67/594740267.db2.gz DKTLGKJQCQVCNA-WFASDCNBSA-N 1 0 344.415 1.280 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000840934458 594829932 /nfs/dbraw/zinc/82/99/32/594829932.db2.gz RBEYVPVZJKQTHY-KRWDZBQOSA-N 1 0 327.432 1.690 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000841039312 594842914 /nfs/dbraw/zinc/84/29/14/594842914.db2.gz KHKMDQBSXFBVOX-UHFFFAOYSA-N 1 0 340.427 1.775 20 10 EDCDRO [NH3+][C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841713253 594941764 /nfs/dbraw/zinc/94/17/64/594941764.db2.gz WQGHNJJTZIAJOD-HNNXBMFYSA-N 1 0 336.411 1.199 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841731156 594945024 /nfs/dbraw/zinc/94/50/24/594945024.db2.gz YZWXYMYPCJPOPM-SFHVURJKSA-N 1 0 344.459 1.559 20 10 EDCDRO C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000841741284 594946201 /nfs/dbraw/zinc/94/62/01/594946201.db2.gz NFBQIYIADLOBMY-BHYGNILZSA-N 1 0 344.459 1.445 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)NC[C@H]3C[NH2+]CCO3)cs2)cc1 ZINC000841856336 594966509 /nfs/dbraw/zinc/96/65/09/594966509.db2.gz MTJFNIRZHBUIMG-CYBMUJFWSA-N 1 0 332.429 1.034 20 10 EDCDRO COC[C@@]1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841882409 594973037 /nfs/dbraw/zinc/97/30/37/594973037.db2.gz YNTGHZXJEGIBEE-KSSFIOAISA-N 1 0 334.464 1.881 20 10 EDCDRO C[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(N(C)C)cc1 ZINC000841881493 594973042 /nfs/dbraw/zinc/97/30/42/594973042.db2.gz RIRLSGHWJRIMOC-QAPCUYQASA-N 1 0 345.491 1.503 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000842203664 595037826 /nfs/dbraw/zinc/03/78/26/595037826.db2.gz VTWNVJUFULMFIJ-CXAGYDPISA-N 1 0 346.475 1.564 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000842206454 595039048 /nfs/dbraw/zinc/03/90/48/595039048.db2.gz GQGQBHMYXAUQSD-CQSZACIVSA-N 1 0 334.464 1.263 20 10 EDCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842216157 595041720 /nfs/dbraw/zinc/04/17/20/595041720.db2.gz ZTUDMNVNENNWDP-OAHLLOKOSA-N 1 0 346.475 1.250 20 10 EDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842214383 595042050 /nfs/dbraw/zinc/04/20/50/595042050.db2.gz QMOLMKVGCTWLFN-MRXNPFEDSA-N 1 0 344.459 1.161 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000842223888 595043876 /nfs/dbraw/zinc/04/38/76/595043876.db2.gz HTYDRARCVUVRCF-UHFFFAOYSA-N 1 0 346.475 1.359 20 10 EDCDRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000842224619 595044303 /nfs/dbraw/zinc/04/43/03/595044303.db2.gz NSQXIELLTZIWSS-UHFFFAOYSA-N 1 0 348.491 1.605 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C2CC2)cc1 ZINC000842227305 595044700 /nfs/dbraw/zinc/04/47/00/595044700.db2.gz OJJYIDPYJGARSL-QGZVFWFLSA-N 1 0 344.459 1.097 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000842227442 595044788 /nfs/dbraw/zinc/04/47/88/595044788.db2.gz RMQLWGYCTHVYCW-HNNXBMFYSA-N 1 0 347.459 1.637 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000842239124 595050259 /nfs/dbraw/zinc/05/02/59/595050259.db2.gz CYWAEFAKRRNYEY-HNNXBMFYSA-N 1 0 333.432 1.389 20 10 EDCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000843427748 595108408 /nfs/dbraw/zinc/10/84/08/595108408.db2.gz CBRLGTVMLJYSGX-INIZCTEOSA-N 1 0 346.475 1.075 20 10 EDCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000843431942 595109174 /nfs/dbraw/zinc/10/91/74/595109174.db2.gz FIPSPPPLKMVEFW-AWEZNQCLSA-N 1 0 332.322 1.901 20 10 EDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000843434037 595109793 /nfs/dbraw/zinc/10/97/93/595109793.db2.gz QGEHHKLRZNVREA-CMPLNLGQSA-N 1 0 329.780 1.410 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000846159666 595161538 /nfs/dbraw/zinc/16/15/38/595161538.db2.gz IWIBYGVABYEQJS-SLEUVZQESA-N 1 0 344.415 1.979 20 10 EDCDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000842784882 595197701 /nfs/dbraw/zinc/19/77/01/595197701.db2.gz MWBMWBSFAWPENT-OAHLLOKOSA-N 1 0 337.445 1.941 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000835041667 595252600 /nfs/dbraw/zinc/25/26/00/595252600.db2.gz ZFGHNRBMJCNIIT-PYTPGESOSA-N 1 0 339.443 1.894 20 10 EDCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)S(C)(=O)=O ZINC000843066440 595279090 /nfs/dbraw/zinc/27/90/90/595279090.db2.gz XHMAEFNAWQFXER-AWEZNQCLSA-N 1 0 340.489 1.418 20 10 EDCDRO C[C@@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000844174764 595291750 /nfs/dbraw/zinc/29/17/50/595291750.db2.gz AJUZYHOGAUEAFU-BEFAXECRSA-N 1 0 344.459 1.147 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](N)CC[NH+](C)C ZINC000846662233 595295104 /nfs/dbraw/zinc/29/51/04/595295104.db2.gz OKTFXPBTCMBWDY-GOSISDBHSA-N 1 0 332.492 1.914 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000844225517 595309059 /nfs/dbraw/zinc/30/90/59/595309059.db2.gz CXDICLUPLVLIJL-KRWDZBQOSA-N 1 0 332.492 1.689 20 10 EDCDRO CC[N@H+](C)C[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000846824786 595322042 /nfs/dbraw/zinc/32/20/42/595322042.db2.gz PAEYZCANJJVYDO-CQSZACIVSA-N 1 0 344.839 1.333 20 10 EDCDRO C[NH2+][C@@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000848412192 595374855 /nfs/dbraw/zinc/37/48/55/595374855.db2.gz KTMJNLNITQYERJ-NSHDSACASA-N 1 0 327.375 1.981 20 10 EDCDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000848557588 595405062 /nfs/dbraw/zinc/40/50/62/595405062.db2.gz GEBYHRCFVJRVGF-DYVFJYSZSA-N 1 0 326.412 1.710 20 10 EDCDRO CCO[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C[NH3+] ZINC000844903477 595410950 /nfs/dbraw/zinc/41/09/50/595410950.db2.gz CRNATSFOAYQSCK-DGCLKSJQSA-N 1 0 325.365 1.105 20 10 EDCDRO [NH3+]C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000848594668 595413481 /nfs/dbraw/zinc/41/34/81/595413481.db2.gz FQSIZRWXKJTBEY-ZDUSSCGKSA-N 1 0 346.353 1.212 20 10 EDCDRO COC(=O)CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849321125 595505557 /nfs/dbraw/zinc/50/55/57/595505557.db2.gz XQSQVZMZDRKVIY-BBRMVZONSA-N 1 0 333.432 1.567 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN(C)CC(C)(C)[NH3+])CC2)cc1 ZINC000852753836 595526800 /nfs/dbraw/zinc/52/68/00/595526800.db2.gz JBJCCVNWQIOZNE-UHFFFAOYSA-N 1 0 334.464 1.013 20 10 EDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566149 595535826 /nfs/dbraw/zinc/53/58/26/595535826.db2.gz KDKQDPZNSYAMFC-ZDUSSCGKSA-N 1 0 326.462 1.170 20 10 EDCDRO COC(=O)c1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000852792051 595544733 /nfs/dbraw/zinc/54/47/33/595544733.db2.gz PRIQWGMFZMHHFX-HNNXBMFYSA-N 1 0 345.399 1.870 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1F ZINC000852799815 595548888 /nfs/dbraw/zinc/54/88/88/595548888.db2.gz VKMSMDYRAHUJSM-LBPRGKRZSA-N 1 0 331.395 1.622 20 10 EDCDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000852860836 595581861 /nfs/dbraw/zinc/58/18/61/595581861.db2.gz WIHJBINFTQTLFL-ZWKOTPCHSA-N 1 0 331.460 1.639 20 10 EDCDRO O=C(C=C1CC[NH2+]CC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000852860675 595582150 /nfs/dbraw/zinc/58/21/50/595582150.db2.gz UMGNHHFQFFHXCR-UHFFFAOYSA-N 1 0 343.471 1.821 20 10 EDCDRO COC(=O)CNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758502 595599298 /nfs/dbraw/zinc/59/92/98/595599298.db2.gz IQRCIRIGWKALKS-HNNXBMFYSA-N 1 0 347.459 1.786 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000852917927 595614238 /nfs/dbraw/zinc/61/42/38/595614238.db2.gz USICKBDTZLARPH-UHFFFAOYSA-N 1 0 348.491 1.685 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]CCOCCS(C)(=O)=O)cc1F ZINC000858145923 595711850 /nfs/dbraw/zinc/71/18/50/595711850.db2.gz JNTMQSLUKKGRIQ-UHFFFAOYSA-N 1 0 336.404 1.182 20 10 EDCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850034284 595724780 /nfs/dbraw/zinc/72/47/80/595724780.db2.gz KKIZXAYRBRHBPR-NWANDNLSSA-N 1 0 336.407 1.950 20 10 EDCDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850034286 595724882 /nfs/dbraw/zinc/72/48/82/595724882.db2.gz KKIZXAYRBRHBPR-VHDGCEQUSA-N 1 0 336.407 1.950 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)C3(OC)CC[NH2+]CC3)C2)cc1 ZINC000851639760 595864767 /nfs/dbraw/zinc/86/47/67/595864767.db2.gz LGROVHQHZMCFAV-AWEZNQCLSA-N 1 0 333.432 1.159 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000851662908 595873531 /nfs/dbraw/zinc/87/35/31/595873531.db2.gz NMNGIKZKYJKLAK-HNAYVOBHSA-N 1 0 346.475 1.963 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000861648649 596057220 /nfs/dbraw/zinc/05/72/20/596057220.db2.gz ZJEHHYGGPOLLQZ-JJRVBVJISA-N 1 0 332.448 1.571 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC3CC(C)C3)CC2)cc1 ZINC000857239402 596194866 /nfs/dbraw/zinc/19/48/66/596194866.db2.gz AJXPADBBFWYEOR-TVPLGVNVSA-N 1 0 347.503 1.814 20 10 EDCDRO CN1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)CCC1=O ZINC000862428925 596327497 /nfs/dbraw/zinc/32/74/97/596327497.db2.gz WVUDMDYSIBLFBR-HNNXBMFYSA-N 1 0 335.423 1.715 20 10 EDCDRO Cc1cc(Cl)cc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1O ZINC000862464875 596333335 /nfs/dbraw/zinc/33/33/35/596333335.db2.gz KVDZJFAUENHQTQ-AWEZNQCLSA-N 1 0 325.840 1.783 20 10 EDCDRO CCN(CC)c1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1F ZINC000863647717 596644104 /nfs/dbraw/zinc/64/41/04/596644104.db2.gz CUUMNSDWELIATP-UHFFFAOYSA-N 1 0 333.411 1.916 20 10 EDCDRO COc1ccc(C[NH2+]CCC(=O)NC(C)C)cc1Cn1cccn1 ZINC000873010611 597159353 /nfs/dbraw/zinc/15/93/53/597159353.db2.gz NCUCMMZJPKQPGT-UHFFFAOYSA-N 1 0 330.432 1.944 20 10 EDCDRO CNC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000873091631 597189020 /nfs/dbraw/zinc/18/90/20/597189020.db2.gz SCHKVACGXXAHFB-KRWDZBQOSA-N 1 0 330.432 1.800 20 10 EDCDRO COc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1Cn1cccn1 ZINC000873131216 597206786 /nfs/dbraw/zinc/20/67/86/597206786.db2.gz PCWYSQQELHJSKA-SFHVURJKSA-N 1 0 328.416 1.698 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ncc3cccnc32)cc1 ZINC000876506951 597224290 /nfs/dbraw/zinc/22/42/90/597224290.db2.gz RQSOHLMHTSFKHY-INIZCTEOSA-N 1 0 338.415 1.314 20 10 EDCDRO CC(C)C[C@@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507042 597224680 /nfs/dbraw/zinc/22/46/80/597224680.db2.gz ULLKJSDDAHMBBC-LPHOPBHVSA-N 1 0 346.475 1.421 20 10 EDCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000876984168 597405392 /nfs/dbraw/zinc/40/53/92/597405392.db2.gz CBNSBSNJMJAFBK-UHFFFAOYSA-N 1 0 334.441 1.910 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CN4CCC[C@H]4CO3)cc2)CC1 ZINC000877022403 597414211 /nfs/dbraw/zinc/41/42/11/597414211.db2.gz MURNTCONNWJNHI-ICSRJNTNSA-N 1 0 345.487 1.601 20 10 EDCDRO Cc1cc(C(=O)NC[C@H]2COCC[NH2+]2)c(C)n1-c1ccc(F)cc1 ZINC000877041626 597420228 /nfs/dbraw/zinc/42/02/28/597420228.db2.gz HZATZZFKUYZBSE-HNNXBMFYSA-N 1 0 331.391 1.951 20 10 EDCDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877089578 597429786 /nfs/dbraw/zinc/42/97/86/597429786.db2.gz OIASWUPWIQHKCE-AWEZNQCLSA-N 1 0 340.489 1.561 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nc(C4CC4)no3)cc2)CC1 ZINC000883146755 597667534 /nfs/dbraw/zinc/66/75/34/597667534.db2.gz XTXAMXNAGVXDRP-UHFFFAOYSA-N 1 0 341.415 1.629 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCCC(=O)N3)cc2)CC1 ZINC000881853277 597756220 /nfs/dbraw/zinc/75/62/20/597756220.db2.gz PBHDWGOPNFNWFJ-MRXNPFEDSA-N 1 0 344.459 1.113 20 10 EDCDRO CC1=NO[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883799454 597906414 /nfs/dbraw/zinc/90/64/14/597906414.db2.gz GOJPBALJHRFJOK-KRWDZBQOSA-N 1 0 345.447 1.402 20 10 EDCDRO C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884011230 597967887 /nfs/dbraw/zinc/96/78/87/597967887.db2.gz XNZGJOKGVDVZMZ-XHBKTUGNSA-N 1 0 341.459 1.958 20 10 EDCDRO CC(=O)c1cc(F)cc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c1O ZINC000880996232 598048360 /nfs/dbraw/zinc/04/83/60/598048360.db2.gz RHSUZSHKGDIEQH-LBPRGKRZSA-N 1 0 332.379 1.916 20 10 EDCDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000914200135 695268651 /nfs/dbraw/zinc/26/86/51/695268651.db2.gz ARYWFBZBDFRHRO-MRXNPFEDSA-N 1 0 334.489 1.743 20 10 EDCDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400223 695388460 /nfs/dbraw/zinc/38/84/60/695388460.db2.gz FQNCTCWCHCBFMK-WMLDXEAASA-N 1 0 332.448 1.588 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)NC2CN(CCOC3CCC3)C2)cc1 ZINC001031464460 697144146 /nfs/dbraw/zinc/14/41/46/697144146.db2.gz SNBZCVXOWBCQOA-UHFFFAOYSA-N 1 0 345.403 1.832 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)NC2C[NH+](CC3CCOCC3)C2)cc1 ZINC001031464671 697144347 /nfs/dbraw/zinc/14/43/47/697144347.db2.gz WZOMEGAXQIETMA-UHFFFAOYSA-N 1 0 345.403 1.690 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000186166656 703718056 /nfs/dbraw/zinc/71/80/56/703718056.db2.gz STOTURKZUWFQGO-NEPJUHHUSA-N 1 0 328.434 1.333 20 10 EDCDRO CCOc1ccc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c(O)c1 ZINC000922614977 704139184 /nfs/dbraw/zinc/13/91/84/704139184.db2.gz GQYOVCUWFQLLKL-HNNXBMFYSA-N 1 0 329.418 1.084 20 10 EDCDRO CO[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCS(=O)(=O)C1 ZINC000922619562 704155330 /nfs/dbraw/zinc/15/53/30/704155330.db2.gz VJYGQEQQEURLII-INIZCTEOSA-N 1 0 325.430 1.305 20 10 EDCDRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000922385749 711445414 /nfs/dbraw/zinc/44/54/14/711445414.db2.gz CWKSCECFLQLOJB-VDHUWJSZSA-N 1 0 349.431 1.870 20 10 EDCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000089634283 237005394 /nfs/dbraw/zinc/00/53/94/237005394.db2.gz ONJZDYUIYBWQJU-GJZGRUSLSA-N 1 0 340.489 1.997 20 10 EDCDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000092012075 237013621 /nfs/dbraw/zinc/01/36/21/237013621.db2.gz JEPJVOQQZDXCJK-YVEFUNNKSA-N 1 0 345.399 1.800 20 10 EDCDRO CCOc1ccc(O)c(CN2CCN(C(=O)C[NH+](CC)CC)CC2)c1 ZINC000093046152 237016325 /nfs/dbraw/zinc/01/63/25/237016325.db2.gz ALZTXMHQEAMZEB-UHFFFAOYSA-N 1 0 349.475 1.777 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)c1O ZINC000284938986 249615636 /nfs/dbraw/zinc/61/56/36/249615636.db2.gz DKDCOPQCCCWKEJ-CQSZACIVSA-N 1 0 332.404 1.971 20 10 EDCDRO CN1CCc2cc(CNC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)ccc21 ZINC000372466854 250221227 /nfs/dbraw/zinc/22/12/27/250221227.db2.gz RFAWZHKIWQASTG-CRAIPNDOSA-N 1 0 328.460 1.915 20 10 EDCDRO CN1CCCc2cc(CNC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)ccc21 ZINC000373343185 250237112 /nfs/dbraw/zinc/23/71/12/250237112.db2.gz AOBOQUHNNTXPGT-ALOPSCKCSA-N 1 0 341.455 1.500 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1 ZINC000373874300 250246740 /nfs/dbraw/zinc/24/67/40/250246740.db2.gz ZNOJGJZTKHWINJ-OAHLLOKOSA-N 1 0 328.420 1.280 20 10 EDCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)nn1 ZINC000375178170 250279302 /nfs/dbraw/zinc/27/93/02/250279302.db2.gz STCJIJNVAGAOOA-ZDUSSCGKSA-N 1 0 346.387 1.616 20 10 EDCDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000378206158 250298612 /nfs/dbraw/zinc/29/86/12/250298612.db2.gz PDTIGDSWYNFDJK-ZTFGCOKTSA-N 1 0 331.460 1.817 20 10 EDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)c1 ZINC000372588502 286338794 /nfs/dbraw/zinc/33/87/94/286338794.db2.gz BUEZPGKBQLSORA-PZROIBLQSA-N 1 0 347.415 1.772 20 10 EDCDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cn1 ZINC000378381213 447424061 /nfs/dbraw/zinc/42/40/61/447424061.db2.gz WQRAGWDQDMBBNR-CABCVRRESA-N 1 0 345.399 1.943 20 10 EDCDRO C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)N1CCOCC1 ZINC000104774463 441207130 /nfs/dbraw/zinc/20/71/30/441207130.db2.gz OOIYSFJMPJVWFY-GJZGRUSLSA-N 1 0 334.464 1.661 20 10 EDCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)CN3CCOCC3)CC2)cc1 ZINC000091509151 441708723 /nfs/dbraw/zinc/70/87/23/441708723.db2.gz WBEVZHQPLCWZHF-QGZVFWFLSA-N 1 0 333.476 1.928 20 10 EDCDRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000186166460 442477023 /nfs/dbraw/zinc/47/70/23/442477023.db2.gz QYUJISZVVPMQKE-GHMZBOCLSA-N 1 0 332.853 1.978 20 10 EDCDRO C[C@@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000188730404 442798257 /nfs/dbraw/zinc/79/82/57/442798257.db2.gz LFHRLGFRZJCLNH-LLVKDONJSA-N 1 0 329.238 1.653 20 10 EDCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1[NH+](C)C ZINC000268209933 442901214 /nfs/dbraw/zinc/90/12/14/442901214.db2.gz NFXFHZUFHWSWAA-MAUKXSAKSA-N 1 0 346.475 1.615 20 10 EDCDRO CC[NH+](CC)CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000190236761 443074781 /nfs/dbraw/zinc/07/47/81/443074781.db2.gz JZENDUYKTJGEEN-UHFFFAOYSA-N 1 0 346.475 1.313 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1CCO)cc2=O ZINC000264619045 443349599 /nfs/dbraw/zinc/34/95/99/443349599.db2.gz MYDGNYOJOZERAK-ZDUSSCGKSA-N 1 0 348.403 1.349 20 10 EDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(OC)c2O)C1 ZINC000278661817 443394410 /nfs/dbraw/zinc/39/44/10/443394410.db2.gz KRHZPSNMROJCEJ-ZFWWWQNUSA-N 1 0 325.405 1.247 20 10 EDCDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000269887412 443455200 /nfs/dbraw/zinc/45/52/00/443455200.db2.gz BLMLATOGUYIXLB-HUUCEWRRSA-N 1 0 331.368 1.695 20 10 EDCDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269935808 443456535 /nfs/dbraw/zinc/45/65/35/443456535.db2.gz YJRDUPSCSVSZMS-CRAIPNDOSA-N 1 0 333.476 1.946 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000270206348 443463588 /nfs/dbraw/zinc/46/35/88/443463588.db2.gz XSYLZILRGHMMLW-WMZOPIPTSA-N 1 0 333.476 1.804 20 10 EDCDRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000270314259 443466019 /nfs/dbraw/zinc/46/60/19/443466019.db2.gz GSDVUCHADFBAMZ-CQSZACIVSA-N 1 0 349.450 1.793 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000279801977 443629811 /nfs/dbraw/zinc/62/98/11/443629811.db2.gz DWUANLRHCJYBHL-QFBILLFUSA-N 1 0 333.476 1.832 20 10 EDCDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)nn1 ZINC000284335686 443773199 /nfs/dbraw/zinc/77/31/99/443773199.db2.gz LCMSVRKAODCJGK-GFCCVEGCSA-N 1 0 344.415 2.000 20 10 EDCDRO CC[NH+]1CCN(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000299575225 444083290 /nfs/dbraw/zinc/08/32/90/444083290.db2.gz BHWHGGDRAOLOQR-UHFFFAOYSA-N 1 0 332.492 1.739 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1F ZINC000294913836 444157297 /nfs/dbraw/zinc/15/72/97/444157297.db2.gz YDYYUUPRZXCYTO-MRXNPFEDSA-N 1 0 344.452 1.311 20 10 EDCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295170293 444167702 /nfs/dbraw/zinc/16/77/02/444167702.db2.gz UENCQKQZPRFVBL-CYBMUJFWSA-N 1 0 328.384 1.849 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CO)C1CCCC1)cc2=O ZINC000289565883 444173537 /nfs/dbraw/zinc/17/35/37/444173537.db2.gz PHRSKSHVKHDVTB-CQSZACIVSA-N 1 0 348.403 1.252 20 10 EDCDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]([NH+]4CCCC4)C3)cc2N1 ZINC000301623500 444182461 /nfs/dbraw/zinc/18/24/61/444182461.db2.gz ORXFBNBTHDXGNM-LLVKDONJSA-N 1 0 332.360 1.600 20 10 EDCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289992260 444227876 /nfs/dbraw/zinc/22/78/76/444227876.db2.gz RFCBWZXDYQCYKX-QGZVFWFLSA-N 1 0 347.459 1.916 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1F ZINC000364215862 445901488 /nfs/dbraw/zinc/90/14/88/445901488.db2.gz RDRAALURZYNLDQ-RDTXWAMCSA-N 1 0 333.407 1.483 20 10 EDCDRO Cc1cccc(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c1O ZINC000365101023 446025765 /nfs/dbraw/zinc/02/57/65/446025765.db2.gz QCGYPBPSFCQMNE-UHFFFAOYSA-N 1 0 328.416 1.553 20 10 EDCDRO CN(Cc1nccc(N)n1)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000369562945 446132881 /nfs/dbraw/zinc/13/28/81/446132881.db2.gz WRMUGKILVSXXLF-AWEZNQCLSA-N 1 0 347.850 2.124 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000370202224 446192429 /nfs/dbraw/zinc/19/24/29/446192429.db2.gz AQLYJLDUSPBPSQ-PKOBYXMFSA-N 1 0 344.503 1.737 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000362040574 446172755 /nfs/dbraw/zinc/17/27/55/446172755.db2.gz PXSNGTQPGOSMCT-UHFFFAOYSA-N 1 0 348.443 1.908 20 10 EDCDRO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000362009888 446148337 /nfs/dbraw/zinc/14/83/37/446148337.db2.gz LPJLEDTUQFDCEE-LSDHHAIUSA-N 1 0 334.416 1.542 20 10 EDCDRO CS(=O)(=O)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000366486477 446234075 /nfs/dbraw/zinc/23/40/75/446234075.db2.gz XUODBSDCBQGABC-MRXNPFEDSA-N 1 0 338.473 1.390 20 10 EDCDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000370532702 446320582 /nfs/dbraw/zinc/32/05/82/446320582.db2.gz DAZWZOPPRDEZBP-SFHVURJKSA-N 1 0 347.459 1.249 20 10 EDCDRO COC(=O)[C@]12C[N@@H+]([C@@H](C)c3cc(OC)ccc3O)C[C@H]1COCC2 ZINC000367301780 446533803 /nfs/dbraw/zinc/53/38/03/446533803.db2.gz SMBASFDVBXYGKP-ZJNRKIDTSA-N 1 0 335.400 1.973 20 10 EDCDRO COc1cc(Cl)cc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1O ZINC000369034793 447280213 /nfs/dbraw/zinc/28/02/13/447280213.db2.gz IYTDAANNSGINFQ-UHFFFAOYSA-N 1 0 334.825 1.307 20 10 EDCDRO O=C(NC[C@H]1COCC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000529376521 448848906 /nfs/dbraw/zinc/84/89/06/448848906.db2.gz VICVGWVNEVVDFK-JKSUJKDBSA-N 1 0 349.431 1.071 20 10 EDCDRO CN1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000592958825 449081093 /nfs/dbraw/zinc/08/10/93/449081093.db2.gz LJLBVAKVGCZPKV-CQSZACIVSA-N 1 0 339.443 1.811 20 10 EDCDRO Fc1cc(C[NH2+][C@H]2CCc3nccn3C2)ccc1N1CCOCC1 ZINC000727469730 578529657 /nfs/dbraw/zinc/52/96/57/578529657.db2.gz DLJAHETYYYLIAK-HNNXBMFYSA-N 1 0 330.407 1.963 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]([C@@H](C)O)C1)cc2=O ZINC000760875206 580040440 /nfs/dbraw/zinc/04/04/40/580040440.db2.gz MNTMCPLMHCMPMH-NEPJUHHUSA-N 1 0 348.403 1.204 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC=C(C)CC3)CC2)cc1 ZINC000754075878 579895709 /nfs/dbraw/zinc/89/57/09/579895709.db2.gz RJKPQJWMAWZNPY-IBGZPJMESA-N 1 0 345.487 1.830 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@H]1CCCOC1)cc2=O ZINC000754561337 579906433 /nfs/dbraw/zinc/90/64/33/579906433.db2.gz DSIZBGRFNAXPAP-NEPJUHHUSA-N 1 0 348.403 1.516 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnco3)CC2)cc1 ZINC000758145990 579975960 /nfs/dbraw/zinc/97/59/60/579975960.db2.gz QOTNSPSXLVLMDU-UHFFFAOYSA-N 1 0 344.415 1.625 20 10 EDCDRO CC(C)[NH2+][C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000761887735 580063215 /nfs/dbraw/zinc/06/32/15/580063215.db2.gz SNRDNFUGVGFARQ-NSHDSACASA-N 1 0 334.376 1.893 20 10 EDCDRO C[NH+](C)CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761884773 580063261 /nfs/dbraw/zinc/06/32/61/580063261.db2.gz UIWGMNMPQPKPCX-UHFFFAOYSA-N 1 0 334.376 1.704 20 10 EDCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000764750690 580127994 /nfs/dbraw/zinc/12/79/94/580127994.db2.gz NCVBFJYPRCKLBZ-CQSZACIVSA-N 1 0 338.473 1.688 20 10 EDCDRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000766467447 580167665 /nfs/dbraw/zinc/16/76/65/580167665.db2.gz JTNCMESQPNXHKG-CQSZACIVSA-N 1 0 344.205 1.967 20 10 EDCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)cc1 ZINC000768321577 580210772 /nfs/dbraw/zinc/21/07/72/580210772.db2.gz WTDDHRDZGSVAHJ-UHFFFAOYSA-N 1 0 333.476 1.853 20 10 EDCDRO CCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768438608 580212704 /nfs/dbraw/zinc/21/27/04/580212704.db2.gz COUDFBCCCOYZMN-QGZVFWFLSA-N 1 0 348.443 1.946 20 10 EDCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768445695 580213107 /nfs/dbraw/zinc/21/31/07/580213107.db2.gz TUCJBSJUJRMXQH-GUYCJALGSA-N 1 0 348.443 1.946 20 10 EDCDRO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255006 580386940 /nfs/dbraw/zinc/38/69/40/580386940.db2.gz MUFVDBQRXPHLTB-AWEZNQCLSA-N 1 0 348.447 1.410 20 10 EDCDRO CCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255007 580386953 /nfs/dbraw/zinc/38/69/53/580386953.db2.gz MUFVDBQRXPHLTB-CQSZACIVSA-N 1 0 348.447 1.410 20 10 EDCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)CS(C)(=O)=O ZINC000775259041 580387030 /nfs/dbraw/zinc/38/70/30/580387030.db2.gz MVUDLDOJTSWPDA-HUUCEWRRSA-N 1 0 340.489 1.855 20 10 EDCDRO CCN(CCS(C)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727370 580398655 /nfs/dbraw/zinc/39/86/55/580398655.db2.gz CXTWXHCHJLXAGY-UHFFFAOYSA-N 1 0 339.505 1.305 20 10 EDCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000779527989 580488062 /nfs/dbraw/zinc/48/80/62/580488062.db2.gz FFOWADAODLXDRR-NSRYLSIASA-N 1 0 332.400 1.481 20 10 EDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000787422688 580695048 /nfs/dbraw/zinc/69/50/48/580695048.db2.gz JATMOCXMIGPFII-MPGHIAIKSA-N 1 0 347.434 1.748 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNc3nnc(C(C)(C)O)o3)cc2)CC1 ZINC000789882301 580755997 /nfs/dbraw/zinc/75/59/97/580755997.db2.gz YTGLFVSMJXNPKF-UHFFFAOYSA-N 1 0 331.420 1.661 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC(C)(F)C3)CC2)cc1 ZINC000795544992 580928335 /nfs/dbraw/zinc/92/83/35/580928335.db2.gz UHLBOBNODCLCGW-INIZCTEOSA-N 1 0 337.439 1.222 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000800309210 581050216 /nfs/dbraw/zinc/05/02/16/581050216.db2.gz JKXONBSXVUVNGV-GOEBONIOSA-N 1 0 325.478 1.560 20 10 EDCDRO C[NH2+]CCCNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000891962065 590709673 /nfs/dbraw/zinc/70/96/73/590709673.db2.gz NAYSAHDQRPXZFG-UHFFFAOYSA-N 1 0 336.436 1.145 20 10 EDCDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000892148321 590822289 /nfs/dbraw/zinc/82/22/89/590822289.db2.gz XQUDOPBTRZRZMI-CYBMUJFWSA-N 1 0 336.436 1.273 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccncn3)cc2)CC1 ZINC000893607752 591005560 /nfs/dbraw/zinc/00/55/60/591005560.db2.gz KNCKREBUXQAPIB-QPJJXVBHSA-N 1 0 337.427 1.558 20 10 EDCDRO CCOC(=O)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891251118 591019399 /nfs/dbraw/zinc/01/93/99/591019399.db2.gz FGDFVNORMQDULZ-INIZCTEOSA-N 1 0 347.459 1.815 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)[NH+](C)C)cc1 ZINC000891256676 591022178 /nfs/dbraw/zinc/02/21/78/591022178.db2.gz ZQRRNZPPIBBEGL-WBVHZDCISA-N 1 0 346.475 1.340 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)COC(C)=O)CC2)cc1 ZINC000892461395 591035730 /nfs/dbraw/zinc/03/57/30/591035730.db2.gz DGDSGDJGMAEVPC-INIZCTEOSA-N 1 0 349.475 1.749 20 10 EDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892938804 591231244 /nfs/dbraw/zinc/23/12/44/591231244.db2.gz CSUAEFLSOIEACC-JKSUJKDBSA-N 1 0 345.491 1.330 20 10 EDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000895687852 591249297 /nfs/dbraw/zinc/24/92/97/591249297.db2.gz CTRGIUGMPMCMHG-KRWDZBQOSA-N 1 0 337.439 1.418 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCn2cccn2)[NH+](C)C)cc1 ZINC000893018840 591256513 /nfs/dbraw/zinc/25/65/13/591256513.db2.gz NAOUQVVRKJADOM-KRWDZBQOSA-N 1 0 344.463 1.551 20 10 EDCDRO CS(=O)(=O)C[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000897596859 591575547 /nfs/dbraw/zinc/57/55/47/591575547.db2.gz ZJJWGEYPBBETPT-AWEZNQCLSA-N 1 0 335.425 1.791 20 10 EDCDRO CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)NC ZINC000899097486 591678347 /nfs/dbraw/zinc/67/83/47/591678347.db2.gz BGYVIOPOSGBIFB-HOTGVXAUSA-N 1 0 349.479 1.179 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NC2(CCO)CC2)[NH+](C)C)cc1 ZINC000899104196 591684498 /nfs/dbraw/zinc/68/44/98/591684498.db2.gz QRPFPQMWKSFLMW-INIZCTEOSA-N 1 0 334.464 1.570 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCS(=O)(=O)N2CCCC2)cc1 ZINC000897828504 591686270 /nfs/dbraw/zinc/68/62/70/591686270.db2.gz XEYBEVLPICXRNO-WAYWQWQTSA-N 1 0 337.489 1.781 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[NH+](C)C)cc1 ZINC000899098055 591687990 /nfs/dbraw/zinc/68/79/90/591687990.db2.gz LAYBKMICUYMZRO-FGTMMUONSA-N 1 0 346.475 1.928 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000895309456 591707863 /nfs/dbraw/zinc/70/78/63/591707863.db2.gz IPCZLAWKOSRCTB-ZNMIVQPWSA-N 1 0 338.473 1.687 20 10 EDCDRO COc1ccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c(O)c1OC ZINC000897018381 591713011 /nfs/dbraw/zinc/71/30/11/591713011.db2.gz FWMHINUXJLOSLN-CYBMUJFWSA-N 1 0 336.388 1.730 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898158825 591807609 /nfs/dbraw/zinc/80/76/09/591807609.db2.gz GCYWXSAEQBYSKH-ZDUSSCGKSA-N 1 0 330.388 1.655 20 10 EDCDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000897301886 591822940 /nfs/dbraw/zinc/82/29/40/591822940.db2.gz WMRNONDZHZUEAL-ZDUSSCGKSA-N 1 0 326.194 1.711 20 10 EDCDRO [NH3+][C@@H](c1cn(Cc2ccc(N3CCOCC3)cc2)nn1)[C@@H]1CCCO1 ZINC000900605262 592067494 /nfs/dbraw/zinc/06/74/94/592067494.db2.gz RIDDUBBHPYIMOF-ROUUACIJSA-N 1 0 343.431 1.342 20 10 EDCDRO CC[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(C)cc1O ZINC000903224684 592136710 /nfs/dbraw/zinc/13/67/10/592136710.db2.gz AEGWIFKUNJKGHP-ZDUSSCGKSA-N 1 0 348.490 1.799 20 10 EDCDRO [NH3+]Cc1nc2c(s1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000903941268 592392885 /nfs/dbraw/zinc/39/28/85/592392885.db2.gz VIDXVAVZBFBSMT-UHFFFAOYSA-N 1 0 344.484 1.997 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000910557449 592877482 /nfs/dbraw/zinc/87/74/82/592877482.db2.gz ASLYGUKPBAAHKI-UZLBHIALSA-N 1 0 347.503 1.955 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000838478860 593177650 /nfs/dbraw/zinc/17/76/50/593177650.db2.gz MVMKXTHUSLMDSY-QGZVFWFLSA-N 1 0 348.491 1.707 20 10 EDCDRO O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1)N1CCCC1 ZINC000808207050 593239713 /nfs/dbraw/zinc/23/97/13/593239713.db2.gz MNYXHCSGKXDRRK-MLGOLLRUSA-N 1 0 332.400 1.262 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(CO)C2)c1O ZINC000839153757 593265374 /nfs/dbraw/zinc/26/53/74/593265374.db2.gz HFOTXGUWFFZJCQ-AWEZNQCLSA-N 1 0 330.222 1.782 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCOC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000809698162 593355779 /nfs/dbraw/zinc/35/57/79/593355779.db2.gz AOPBJFOAIRZPNF-WOJBJXKFSA-N 1 0 345.487 1.818 20 10 EDCDRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000810051329 593378148 /nfs/dbraw/zinc/37/81/48/593378148.db2.gz ZGPKDBCGQGBNJX-LBPRGKRZSA-N 1 0 330.450 1.723 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)[C@@H](C)N(C)C3=O)cc2F)CC1 ZINC000761284336 593414562 /nfs/dbraw/zinc/41/45/62/593414562.db2.gz UKMXDJWYUYPZQE-CYBMUJFWSA-N 1 0 348.422 1.750 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000806684062 593463966 /nfs/dbraw/zinc/46/39/66/593463966.db2.gz PWJYVCFLIQMOOI-AWEZNQCLSA-N 1 0 334.464 1.913 20 10 EDCDRO Fc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)ccc1N1CCOCC1 ZINC000817889699 593645589 /nfs/dbraw/zinc/64/55/89/593645589.db2.gz VATPQRRMIPGIHB-OALUTQOASA-N 1 0 349.450 1.519 20 10 EDCDRO CC[C@H](NCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817895188 593646337 /nfs/dbraw/zinc/64/63/37/593646337.db2.gz SBZZIEAOAXAKQS-PMACEKPBSA-N 1 0 346.519 1.937 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(N(C)C)cc1 ZINC000817910656 593647851 /nfs/dbraw/zinc/64/78/51/593647851.db2.gz XQLLVUWFNHWDCU-AWEZNQCLSA-N 1 0 344.459 1.284 20 10 EDCDRO [NH3+][C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000817916425 593648076 /nfs/dbraw/zinc/64/80/76/593648076.db2.gz YTZOVXFSLWMTQY-HNNXBMFYSA-N 1 0 345.443 1.613 20 10 EDCDRO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817945087 593651016 /nfs/dbraw/zinc/65/10/16/593651016.db2.gz UAOUMHWAFIOSBB-JTQLQIEISA-N 1 0 346.244 1.850 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000817950070 593651290 /nfs/dbraw/zinc/65/12/90/593651290.db2.gz RNJYFRPYMDYVHA-HNNXBMFYSA-N 1 0 347.459 1.718 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000818656206 593710556 /nfs/dbraw/zinc/71/05/56/593710556.db2.gz SEUNVRLFBPGWMK-SUMWQHHRSA-N 1 0 332.448 1.558 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000818658540 593710819 /nfs/dbraw/zinc/71/08/19/593710819.db2.gz UIDDYSZMUULJGB-OAHLLOKOSA-N 1 0 346.475 1.915 20 10 EDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819120258 593740002 /nfs/dbraw/zinc/74/00/02/593740002.db2.gz AINBZYQXGJFDEI-INIZCTEOSA-N 1 0 340.439 1.664 20 10 EDCDRO O=C1CC[C@H]([NH+]2CCN(Cc3cc(Cl)ccc3O)CC2)CCN1 ZINC000825148145 594136537 /nfs/dbraw/zinc/13/65/37/594136537.db2.gz QWZKHQXOUUIOCB-HNNXBMFYSA-N 1 0 337.851 1.832 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1Cl ZINC000825302997 594163542 /nfs/dbraw/zinc/16/35/42/594163542.db2.gz BYUHZQGJZPBKRI-UHFFFAOYSA-N 1 0 333.837 1.383 20 10 EDCDRO CC[C@@H](O)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000828259750 594377148 /nfs/dbraw/zinc/37/71/48/594377148.db2.gz SLKAHHSQASCMLV-LJQANCHMSA-N 1 0 345.487 1.996 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000828353190 594398980 /nfs/dbraw/zinc/39/89/80/594398980.db2.gz KHJPIDKQHDPNRP-OAHLLOKOSA-N 1 0 333.432 1.159 20 10 EDCDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000830462853 594400962 /nfs/dbraw/zinc/40/09/62/594400962.db2.gz YVGNKELMGZTSAG-INIZCTEOSA-N 1 0 346.475 1.312 20 10 EDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663935 594451182 /nfs/dbraw/zinc/45/11/82/594451182.db2.gz DWHDBQOHLKUZEK-LEWSCRJBSA-N 1 0 325.359 1.720 20 10 EDCDRO Cc1cc(Br)cc(C[NH+]2CCC(O)(CO)CC2)c1O ZINC000827147303 594648018 /nfs/dbraw/zinc/64/80/18/594648018.db2.gz PTXLDNDBYMZXOW-UHFFFAOYSA-N 1 0 330.222 1.782 20 10 EDCDRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827369837 594665712 /nfs/dbraw/zinc/66/57/12/594665712.db2.gz PARJIJSXFCZGEI-CYBMUJFWSA-N 1 0 345.365 1.386 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000832266746 594739066 /nfs/dbraw/zinc/73/90/66/594739066.db2.gz IGGNGPFGGTZTLR-CJNGLKHVSA-N 1 0 327.432 1.397 20 10 EDCDRO Cc1nn(C)c(C)c1OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266159 594739088 /nfs/dbraw/zinc/73/90/88/594739088.db2.gz CZXIHDAQUOGSKU-MRXNPFEDSA-N 1 0 345.447 1.298 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC000832273460 594739558 /nfs/dbraw/zinc/73/95/58/594739558.db2.gz OEEAXPHVXXRGRN-BTFYYFJDSA-N 1 0 345.443 1.110 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCOC[C@@H]2CCCO2)cc1 ZINC000832299747 594741100 /nfs/dbraw/zinc/74/11/00/594741100.db2.gz HFVSZRJFDXERCX-IRXDYDNUSA-N 1 0 335.448 1.454 20 10 EDCDRO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(Br)cc1O ZINC000840804538 594817316 /nfs/dbraw/zinc/81/73/16/594817316.db2.gz GTPOAHQIPVJCNM-KOLCDFICSA-N 1 0 341.209 1.458 20 10 EDCDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)c1cccs1 ZINC000841001323 594837389 /nfs/dbraw/zinc/83/73/89/594837389.db2.gz MQJTVPJESBHAJG-CYBMUJFWSA-N 1 0 332.429 1.688 20 10 EDCDRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCc2ccc(N)cc2)C[C@H](C)O1 ZINC000841676316 594934279 /nfs/dbraw/zinc/93/42/79/594934279.db2.gz URJARBJJTNWLTJ-GASCZTMLSA-N 1 0 334.464 1.610 20 10 EDCDRO C[NH+](C)CCN1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841674775 594934438 /nfs/dbraw/zinc/93/44/38/594934438.db2.gz DEVCGDZHOYBEGW-UHFFFAOYSA-N 1 0 333.480 1.137 20 10 EDCDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841837057 594961185 /nfs/dbraw/zinc/96/11/85/594961185.db2.gz NFVSXXRJDZBONX-MRXNPFEDSA-N 1 0 347.507 1.384 20 10 EDCDRO CN1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H](C[NH3+])C1 ZINC000841848678 594965313 /nfs/dbraw/zinc/96/53/13/594965313.db2.gz WEZBXPRRADJJME-AWEZNQCLSA-N 1 0 345.472 1.031 20 10 EDCDRO COCC[NH2+]CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841967470 594991711 /nfs/dbraw/zinc/99/17/11/594991711.db2.gz DWCIAAUGLMUYPN-UHFFFAOYSA-N 1 0 347.415 1.933 20 10 EDCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000841989597 594996682 /nfs/dbraw/zinc/99/66/82/594996682.db2.gz ZVRPVVUPEQZNFP-JOYOIKCWSA-N 1 0 342.237 1.952 20 10 EDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149622 595023420 /nfs/dbraw/zinc/02/34/20/595023420.db2.gz CMIQHRISKDJSAW-MRXNPFEDSA-N 1 0 346.475 1.319 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000842152824 595024446 /nfs/dbraw/zinc/02/44/46/595024446.db2.gz JRMVDWBYMQBFAS-UHFFFAOYSA-N 1 0 332.448 1.063 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C(C)(C)C[NH+](C)C ZINC000842191349 595033808 /nfs/dbraw/zinc/03/38/08/595033808.db2.gz MGNBVPRNGOPCSW-ZDUSSCGKSA-N 1 0 334.464 1.020 20 10 EDCDRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842202689 595037093 /nfs/dbraw/zinc/03/70/93/595037093.db2.gz KLFDGJNOAUAJIK-CYBMUJFWSA-N 1 0 334.464 1.564 20 10 EDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203710 595037702 /nfs/dbraw/zinc/03/77/02/595037702.db2.gz WMBKPTGPSNGYQM-GJZGRUSLSA-N 1 0 346.475 1.388 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203696 595037834 /nfs/dbraw/zinc/03/78/34/595037834.db2.gz WHAMVDBBMWLFNG-ZIAGYGMSSA-N 1 0 332.448 1.046 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000842207187 595038738 /nfs/dbraw/zinc/03/87/38/595038738.db2.gz MPVVEAKDIPEOLH-WMLDXEAASA-N 1 0 346.475 1.345 20 10 EDCDRO CC1([NH3+])CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000842212723 595041167 /nfs/dbraw/zinc/04/11/67/595041167.db2.gz JHNWLOLRLNCIAX-UHFFFAOYSA-N 1 0 344.459 1.243 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000842230760 595045894 /nfs/dbraw/zinc/04/58/94/595045894.db2.gz YYYCUAUKDIWHMJ-CABCVRRESA-N 1 0 333.432 1.517 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000842230761 595046227 /nfs/dbraw/zinc/04/62/27/595046227.db2.gz YYYCUAUKDIWHMJ-GJZGRUSLSA-N 1 0 333.432 1.517 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000842258599 595057326 /nfs/dbraw/zinc/05/73/26/595057326.db2.gz WZZPJNVCLPAALV-HNNXBMFYSA-N 1 0 333.432 1.374 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000842265423 595059684 /nfs/dbraw/zinc/05/96/84/595059684.db2.gz JOTCBSNBNBIPGG-OAHLLOKOSA-N 1 0 333.432 1.389 20 10 EDCDRO Cc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000834298775 595085071 /nfs/dbraw/zinc/08/50/71/595085071.db2.gz AFTWCIXYDWFTTP-HNNXBMFYSA-N 1 0 327.432 1.204 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNc3nc4n(n3)CCCC4)cc2)CC1 ZINC000834482323 595137537 /nfs/dbraw/zinc/13/75/37/595137537.db2.gz CGXNYCLLZJCFAB-UHFFFAOYSA-N 1 0 326.448 1.978 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(OC)CC3)cc2F)CC1 ZINC000843545652 595144260 /nfs/dbraw/zinc/14/42/60/595144260.db2.gz UPWKSPSGRPHEMF-UHFFFAOYSA-N 1 0 335.423 1.763 20 10 EDCDRO CCN(OC)C(=O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000842768017 595193067 /nfs/dbraw/zinc/19/30/67/595193067.db2.gz GPLIFESSHSLUIV-UHFFFAOYSA-N 1 0 347.209 1.663 20 10 EDCDRO COc1cccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784533 595197501 /nfs/dbraw/zinc/19/75/01/595197501.db2.gz IHFPIXVPOUPXJX-QGZVFWFLSA-N 1 0 349.456 1.740 20 10 EDCDRO COC(C)(C)CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786350 595198383 /nfs/dbraw/zinc/19/83/83/595198383.db2.gz YTTAAYJLNLPOLP-AWEZNQCLSA-N 1 0 329.466 1.097 20 10 EDCDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057916 595276455 /nfs/dbraw/zinc/27/64/55/595276455.db2.gz NYKAMJQJTNTNQK-BBRMVZONSA-N 1 0 335.423 1.612 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2F)C[C@@H](C)O1 ZINC000844172336 595290688 /nfs/dbraw/zinc/29/06/88/595290688.db2.gz FVEQTDFPOXOLNQ-KBGZAFCFSA-N 1 0 347.434 1.521 20 10 EDCDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCC1 ZINC000844174222 595291801 /nfs/dbraw/zinc/29/18/01/595291801.db2.gz QWWLDMWYFLXLGV-SFHVURJKSA-N 1 0 331.460 1.639 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)COC3(C)C[NH2+]C3)CC2)cc1 ZINC000844176208 595292970 /nfs/dbraw/zinc/29/29/70/595292970.db2.gz ZRTWCMBBJUBWCL-UHFFFAOYSA-N 1 0 333.432 1.112 20 10 EDCDRO COCC1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000846696409 595303392 /nfs/dbraw/zinc/30/33/92/595303392.db2.gz GFMKAHIYGNWRMT-UHFFFAOYSA-N 1 0 349.475 1.606 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000846697921 595303420 /nfs/dbraw/zinc/30/34/20/595303420.db2.gz YSJWOKSXWOJHJT-QGZVFWFLSA-N 1 0 331.460 1.980 20 10 EDCDRO CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000844219215 595305227 /nfs/dbraw/zinc/30/52/27/595305227.db2.gz IRYICNMBZOTHSG-GOSISDBHSA-N 1 0 332.492 1.785 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN[C@@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000844221434 595307019 /nfs/dbraw/zinc/30/70/19/595307019.db2.gz ZXXCWFFABSNLJJ-IBGZPJMESA-N 1 0 348.491 1.307 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000844224851 595308572 /nfs/dbraw/zinc/30/85/72/595308572.db2.gz JOYGEIZQHXVOKI-FUHWJXTLSA-N 1 0 330.476 1.395 20 10 EDCDRO CCc1cccc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1O ZINC000848902127 595465182 /nfs/dbraw/zinc/46/51/82/595465182.db2.gz LCFWRGIJUOIGRR-INIZCTEOSA-N 1 0 342.443 1.969 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC2)cc1F ZINC000852812804 595553865 /nfs/dbraw/zinc/55/38/65/595553865.db2.gz BPUKQDFMEYSXJS-HNNXBMFYSA-N 1 0 339.411 1.235 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000853099020 595664222 /nfs/dbraw/zinc/66/42/22/595664222.db2.gz OAANZYMAPVSNJV-GOSISDBHSA-N 1 0 331.391 1.881 20 10 EDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000115825993 595692361 /nfs/dbraw/zinc/69/23/61/595692361.db2.gz XSWMNLVICLIXCO-SFHVURJKSA-N 1 0 348.491 1.971 20 10 EDCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Br)[C@H]1CCOC1 ZINC000858161515 595716459 /nfs/dbraw/zinc/71/64/59/595716459.db2.gz SVQDGZSBUGRFAH-WDEREUQCSA-N 1 0 330.222 1.889 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1C ZINC000858245494 595741891 /nfs/dbraw/zinc/74/18/91/595741891.db2.gz RYXQTYICRBPRMZ-HNNXBMFYSA-N 1 0 338.415 1.810 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3CC[NH+](C)CC3)C2)cc1 ZINC000853684562 595855328 /nfs/dbraw/zinc/85/53/28/595855328.db2.gz VYRYUCRCKRWOTQ-MRXNPFEDSA-N 1 0 346.475 1.915 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC000851639898 595864798 /nfs/dbraw/zinc/86/47/98/595864798.db2.gz MTFUHHNKAOZTAT-VQIMIIECSA-N 1 0 339.439 1.960 20 10 EDCDRO CCOC(=O)C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000859190411 595999537 /nfs/dbraw/zinc/99/95/37/595999537.db2.gz JXULWYOIPXFTBA-HZPDHXFCSA-N 1 0 337.416 1.687 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCN(C4CC4)CC3)C2)cc1 ZINC000854302049 596027424 /nfs/dbraw/zinc/02/74/24/596027424.db2.gz XHCLTQNNHPAFKC-HNNXBMFYSA-N 1 0 344.459 1.764 20 10 EDCDRO COCC1([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000852090171 596040539 /nfs/dbraw/zinc/04/05/39/596040539.db2.gz VARCIWNWVPBWHG-UHFFFAOYSA-N 1 0 335.448 1.154 20 10 EDCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000861717211 596078752 /nfs/dbraw/zinc/07/87/52/596078752.db2.gz CUQJQGMZJUOCKS-QGZVFWFLSA-N 1 0 343.427 1.559 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861806273 596108926 /nfs/dbraw/zinc/10/89/26/596108926.db2.gz ZXMSYONIYCJCIA-GDBMZVCRSA-N 1 0 346.475 1.358 20 10 EDCDRO CC[C@@H]([NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852555119 596196925 /nfs/dbraw/zinc/19/69/25/596196925.db2.gz JRYDXVORMBNBIV-AZUAARDMSA-N 1 0 347.503 1.956 20 10 EDCDRO CC[C@H]([NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852555121 596197067 /nfs/dbraw/zinc/19/70/67/596197067.db2.gz JRYDXVORMBNBIV-QUCCMNQESA-N 1 0 347.503 1.956 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CC1=CCSC1)cc2=O ZINC000852747368 596237609 /nfs/dbraw/zinc/23/76/09/596237609.db2.gz GGGBIBIKXSWHIM-UHFFFAOYSA-N 1 0 348.428 1.717 20 10 EDCDRO CN(CCC[NH+](C)C)CCn1cc(COc2ccc(N)cc2)nn1 ZINC000864645958 596295727 /nfs/dbraw/zinc/29/57/27/596295727.db2.gz PJVUCNAHARZDGY-UHFFFAOYSA-N 1 0 332.452 1.323 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000866748866 596320893 /nfs/dbraw/zinc/32/08/93/596320893.db2.gz BQTHADIVMIRMLK-UHFFFAOYSA-N 1 0 340.493 1.079 20 10 EDCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000862473639 596333650 /nfs/dbraw/zinc/33/36/50/596333650.db2.gz CTKYVHSFRRPTAF-SFHVURJKSA-N 1 0 334.416 1.287 20 10 EDCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000863327974 596552378 /nfs/dbraw/zinc/55/23/78/596552378.db2.gz DAUJRHTYUZRCHH-GOSISDBHSA-N 1 0 327.428 1.891 20 10 EDCDRO CC(C)(C)OC(=O)COCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000865683816 596649093 /nfs/dbraw/zinc/64/90/93/596649093.db2.gz HSTHXIBJDFQTAE-UHFFFAOYSA-N 1 0 325.361 1.569 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1 ZINC000865799479 596688637 /nfs/dbraw/zinc/68/86/37/596688637.db2.gz AWTATDCYNFJUNH-IBGZPJMESA-N 1 0 347.459 1.250 20 10 EDCDRO COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000868261294 596752629 /nfs/dbraw/zinc/75/26/29/596752629.db2.gz PYZJMKXFVIZURD-UHFFFAOYSA-N 1 0 348.447 1.024 20 10 EDCDRO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(C)cc(OC)c3O)C2)C1 ZINC000872709483 597040781 /nfs/dbraw/zinc/04/07/81/597040781.db2.gz OUNLFCHIBKYYNP-QGZVFWFLSA-N 1 0 334.372 1.603 20 10 EDCDRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000124213085 597044801 /nfs/dbraw/zinc/04/48/01/597044801.db2.gz HRGSZSMWKCMUNS-ZDUSSCGKSA-N 1 0 325.478 1.827 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1Cn1cccn1 ZINC000873020088 597162770 /nfs/dbraw/zinc/16/27/70/597162770.db2.gz DWHQZYXABICGQD-CQSZACIVSA-N 1 0 329.322 1.953 20 10 EDCDRO COc1ccnc(OC)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507112 597224815 /nfs/dbraw/zinc/22/48/15/597224815.db2.gz VSYJBGRYQPWKLG-AWEZNQCLSA-N 1 0 344.415 1.595 20 10 EDCDRO C[N@H+](CCN1CCOCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876680650 597285718 /nfs/dbraw/zinc/28/57/18/597285718.db2.gz GPTDJUXTZGACIK-UHFFFAOYSA-N 1 0 333.476 1.412 20 10 EDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876728484 597309026 /nfs/dbraw/zinc/30/90/26/597309026.db2.gz NMPZNJZOMCFFEK-INIZCTEOSA-N 1 0 331.460 1.606 20 10 EDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000876732453 597311499 /nfs/dbraw/zinc/31/14/99/597311499.db2.gz WNTWJYVOQBUKPW-HIFRSBDPSA-N 1 0 332.448 1.003 20 10 EDCDRO CCn1cnnc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876874801 597364484 /nfs/dbraw/zinc/36/44/84/597364484.db2.gz LIFMLUZCEYHSHM-UHFFFAOYSA-N 1 0 329.448 1.591 20 10 EDCDRO COC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC[NH2+]1 ZINC000876959866 597397246 /nfs/dbraw/zinc/39/72/46/597397246.db2.gz QGYWFNMJZQJUML-DNVCBOLYSA-N 1 0 347.459 1.549 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C[NH3+])CCCOC3)C2)cc1 ZINC000876960323 597397550 /nfs/dbraw/zinc/39/75/50/597397550.db2.gz WXUSOGPBGPXLSX-KDOFPFPSSA-N 1 0 333.432 1.146 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)N1CCOCC1 ZINC000877025382 597415159 /nfs/dbraw/zinc/41/51/59/597415159.db2.gz JKSFWYMGCMDUPN-IRXDYDNUSA-N 1 0 347.503 1.847 20 10 EDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227029 597467220 /nfs/dbraw/zinc/46/72/20/597467220.db2.gz APICEMSENVUKLH-JKSUJKDBSA-N 1 0 347.459 1.741 20 10 EDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227027 597467288 /nfs/dbraw/zinc/46/72/88/597467288.db2.gz APICEMSENVUKLH-HZPDHXFCSA-N 1 0 347.459 1.741 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+]CCC3(O)CCOCC3)cc2)CC1 ZINC000877516194 597529495 /nfs/dbraw/zinc/52/94/95/597529495.db2.gz XNWRFIWNOMGMDF-UHFFFAOYSA-N 1 0 334.460 1.669 20 10 EDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000877518584 597529778 /nfs/dbraw/zinc/52/97/78/597529778.db2.gz SWYNBSPSHSTFCT-HIFRSBDPSA-N 1 0 326.462 1.898 20 10 EDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(O)c1 ZINC000877535176 597532472 /nfs/dbraw/zinc/53/24/72/597532472.db2.gz WXCVSDVFTCXPBP-AWEZNQCLSA-N 1 0 338.473 1.994 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1 ZINC000877667102 597546229 /nfs/dbraw/zinc/54/62/29/597546229.db2.gz DDCZXVGIWBSNTH-ASIGSXEYSA-N 1 0 327.428 1.750 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)c3cccnc3)cc2)CC1 ZINC000881852264 597755453 /nfs/dbraw/zinc/75/54/53/597755453.db2.gz ZWKGKEAUNYYSLF-GOSISDBHSA-N 1 0 340.427 1.183 20 10 EDCDRO COC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000881853694 597755729 /nfs/dbraw/zinc/75/57/29/597755729.db2.gz GVOMRWAVYHAKML-UHFFFAOYSA-N 1 0 347.459 1.250 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3cnccn3)cc2)CC1 ZINC000881853721 597755753 /nfs/dbraw/zinc/75/57/53/597755753.db2.gz HYEFNYXBAIRZKY-UHFFFAOYSA-N 1 0 339.443 1.477 20 10 EDCDRO CC1=NO[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883799455 597906238 /nfs/dbraw/zinc/90/62/38/597906238.db2.gz GOJPBALJHRFJOK-QGZVFWFLSA-N 1 0 345.447 1.402 20 10 EDCDRO COc1c(N)ncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882879917 598093932 /nfs/dbraw/zinc/09/39/32/598093932.db2.gz SZKJPJHOHYDCKG-UHFFFAOYSA-N 1 0 328.420 1.431 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)cc1C ZINC000939856557 699995614 /nfs/dbraw/zinc/99/56/14/699995614.db2.gz OHFLXLVGXPCLRM-NVXWUHKLSA-N 1 0 342.443 1.837 20 10 EDCDRO CCO[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C[NH+](C)C ZINC000915390977 695807401 /nfs/dbraw/zinc/80/74/01/695807401.db2.gz WVSUXUPKMBJOSQ-KRWDZBQOSA-N 1 0 348.491 1.835 20 10 EDCDRO C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CCCO ZINC000994499139 696936469 /nfs/dbraw/zinc/93/64/69/696936469.db2.gz WGTCFESZFZFSRP-SWLSCSKDSA-N 1 0 347.419 1.814 20 10 EDCDRO CCC(C)(C)[C@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838889 697212729 /nfs/dbraw/zinc/21/27/29/697212729.db2.gz MGXGVWYUZNFRQU-QGZVFWFLSA-N 1 0 333.476 1.852 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)cc1C ZINC000998612834 706050503 /nfs/dbraw/zinc/05/05/03/706050503.db2.gz TYLGOGZWBNHZAE-FUHWJXTLSA-N 1 0 348.443 1.500 20 10 EDCDRO COc1cc(C(=O)NC2CC[NH+](CCCF)CC2)cc(OC)n1 ZINC001003245383 710169456 /nfs/dbraw/zinc/16/94/56/710169456.db2.gz VBIOOSWMNZLZAN-UHFFFAOYSA-N 1 0 325.384 1.653 20 10 EDCDRO CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000090102642 529603486 /nfs/dbraw/zinc/60/34/86/529603486.db2.gz ZZINTVDNETVHPE-INIZCTEOSA-N 1 0 328.478 1.855 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000092044637 529780757 /nfs/dbraw/zinc/78/07/57/529780757.db2.gz MKVZCMQBQROXQC-KRWDZBQOSA-N 1 0 337.489 1.753 20 10 EDCDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000363520512 250186082 /nfs/dbraw/zinc/18/60/82/250186082.db2.gz RWBXHHJPGJSPJY-CQSZACIVSA-N 1 0 330.388 1.994 20 10 EDCDRO COc1cccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1O ZINC000372413273 250219710 /nfs/dbraw/zinc/21/97/10/250219710.db2.gz INXGVIDHZBLCOM-UHFFFAOYSA-N 1 0 348.443 1.862 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1O ZINC000373295477 250236012 /nfs/dbraw/zinc/23/60/12/250236012.db2.gz GNVLCEXVIVMOMY-UHFFFAOYSA-N 1 0 347.459 1.529 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419715065 447368812 /nfs/dbraw/zinc/36/88/12/447368812.db2.gz YRUUTHTZYXKKLO-BETUJISGSA-N 1 0 342.443 1.312 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000119195848 441922610 /nfs/dbraw/zinc/92/26/10/441922610.db2.gz UXSVUKRTFJWADG-UHFFFAOYSA-N 1 0 329.400 2.000 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000162662863 442112282 /nfs/dbraw/zinc/11/22/82/442112282.db2.gz GVMLMGZMGJLXOJ-UHFFFAOYSA-N 1 0 331.460 1.823 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000179659828 442485960 /nfs/dbraw/zinc/48/59/60/442485960.db2.gz TVUQCOZQYVDRRC-CQSZACIVSA-N 1 0 334.416 1.472 20 10 EDCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1O ZINC000186279871 442502531 /nfs/dbraw/zinc/50/25/31/442502531.db2.gz RABSHGBRSPAIPS-DOTOQJQBSA-N 1 0 347.459 1.366 20 10 EDCDRO COCCCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179820751 442508757 /nfs/dbraw/zinc/50/87/57/442508757.db2.gz NLJISRISLVECHZ-UHFFFAOYSA-N 1 0 336.432 1.766 20 10 EDCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)CC2 ZINC000186102831 442463425 /nfs/dbraw/zinc/46/34/25/442463425.db2.gz IJBGNJKYGIQZLU-VXGBXAGGSA-N 1 0 332.404 1.804 20 10 EDCDRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1O ZINC000183601037 442945807 /nfs/dbraw/zinc/94/58/07/442945807.db2.gz LKSPQFATVFTUKX-ZIAGYGMSSA-N 1 0 342.461 1.531 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1[C@@H](C)O)cc2=O ZINC000264432820 443289617 /nfs/dbraw/zinc/28/96/17/443289617.db2.gz OQEYSIPQFDMZHX-BXUZGUMPSA-N 1 0 348.403 1.347 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278532122 443355415 /nfs/dbraw/zinc/35/54/15/443355415.db2.gz ZXVBSUYQCASSLA-SFHVURJKSA-N 1 0 329.444 1.766 20 10 EDCDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000264637714 443356633 /nfs/dbraw/zinc/35/66/33/443356633.db2.gz CUNLULNJYAPSLB-PFWMLDTASA-N 1 0 329.444 1.604 20 10 EDCDRO CC[NH+](CC)CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000282691669 443408743 /nfs/dbraw/zinc/40/87/43/443408743.db2.gz JANDYSSWCKCXOX-UHFFFAOYSA-N 1 0 342.823 1.889 20 10 EDCDRO CCC(CC)(C[NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000279046702 443500432 /nfs/dbraw/zinc/50/04/32/443500432.db2.gz GRCNSPOKGLLQTH-UHFFFAOYSA-N 1 0 349.475 1.938 20 10 EDCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000272303949 443586306 /nfs/dbraw/zinc/58/63/06/443586306.db2.gz HMWYJESBXMOQBT-GOSISDBHSA-N 1 0 337.439 1.921 20 10 EDCDRO NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000275361633 443626312 /nfs/dbraw/zinc/62/63/12/443626312.db2.gz BEUQORFPIANLTN-ZDUSSCGKSA-N 1 0 326.400 1.269 20 10 EDCDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274631277 443609484 /nfs/dbraw/zinc/60/94/84/443609484.db2.gz PAFVIRCZYFALRM-ZIAGYGMSSA-N 1 0 336.436 1.977 20 10 EDCDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283535138 443655926 /nfs/dbraw/zinc/65/59/26/443655926.db2.gz POHKPWQASCSZKP-PBHICJAKSA-N 1 0 344.459 1.064 20 10 EDCDRO CC[N@@H+]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000286600281 443717642 /nfs/dbraw/zinc/71/76/42/443717642.db2.gz RBVQSYJAJVNAOI-MRXNPFEDSA-N 1 0 332.492 1.737 20 10 EDCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000277360915 443967490 /nfs/dbraw/zinc/96/74/90/443967490.db2.gz BVYUQCSJWLPBRN-ZSSMVNRLSA-N 1 0 329.444 1.651 20 10 EDCDRO Cc1cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)ccc1N(C)C ZINC000293902377 444094341 /nfs/dbraw/zinc/09/43/41/444094341.db2.gz WEHGXVPMAIVFKQ-UHFFFAOYSA-N 1 0 330.432 1.577 20 10 EDCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000278224430 444119353 /nfs/dbraw/zinc/11/93/53/444119353.db2.gz ISUPCXWIJWHROF-CYBMUJFWSA-N 1 0 334.416 1.806 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000295268649 444174320 /nfs/dbraw/zinc/17/43/20/444174320.db2.gz VLKAFOXMPFYQGM-OAHLLOKOSA-N 1 0 346.475 1.074 20 10 EDCDRO CCCNC(=O)CN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295861663 444193724 /nfs/dbraw/zinc/19/37/24/444193724.db2.gz GPCBYSFYUPLIKK-INIZCTEOSA-N 1 0 331.460 1.960 20 10 EDCDRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297852508 444342138 /nfs/dbraw/zinc/34/21/38/444342138.db2.gz NBDBICOLDJWOGD-UHFFFAOYSA-N 1 0 348.491 1.510 20 10 EDCDRO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)c3cc(OC)ccc3O)CCN2C1=O ZINC000369928950 446169033 /nfs/dbraw/zinc/16/90/33/446169033.db2.gz FSPJGEZUSRVGMU-RISCZKNCSA-N 1 0 333.388 1.430 20 10 EDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000362042004 446173876 /nfs/dbraw/zinc/17/38/76/446173876.db2.gz SRZVTLFYEGTLNL-CQSZACIVSA-N 1 0 341.411 1.868 20 10 EDCDRO C[N@@H+]1CC[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@@H]21 ZINC000375047228 446540439 /nfs/dbraw/zinc/54/04/39/446540439.db2.gz CIJCHHPFIJJLSK-HZMBPMFUSA-N 1 0 332.360 1.456 20 10 EDCDRO C[N@@H+]1CC[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@H]21 ZINC000375047232 446541411 /nfs/dbraw/zinc/54/14/11/446541411.db2.gz CIJCHHPFIJJLSK-QMTHXVAHSA-N 1 0 332.360 1.456 20 10 EDCDRO CC[C@@H](c1ccccc1O)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000377669256 447285118 /nfs/dbraw/zinc/28/51/18/447285118.db2.gz DKQFPSVKDKUTMQ-PMPSAXMXSA-N 1 0 328.416 1.778 20 10 EDCDRO O=C(NC[C@@H]1COCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000529376409 448848123 /nfs/dbraw/zinc/84/81/23/448848123.db2.gz VICVGWVNEVVDFK-CVEARBPZSA-N 1 0 349.431 1.071 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C1CC(OCC)C1)cc2=O ZINC000286706085 486086994 /nfs/dbraw/zinc/08/69/94/486086994.db2.gz FDNKLDXWNSOSKO-UHFFFAOYSA-N 1 0 348.403 1.611 20 10 EDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)N1c1cnn(C)c1 ZINC000742391044 579450638 /nfs/dbraw/zinc/45/06/38/579450638.db2.gz BGRUQPYQRKNMCP-LRDDRELGSA-N 1 0 326.400 1.639 20 10 EDCDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2c(O)cccc2OC)CC1 ZINC000725847502 578288783 /nfs/dbraw/zinc/28/87/83/578288783.db2.gz OHFARRSZPKGPKG-UHFFFAOYSA-N 1 0 342.461 1.695 20 10 EDCDRO CC[N@H+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(C)C ZINC000726625425 578352089 /nfs/dbraw/zinc/35/20/89/578352089.db2.gz WYYIGWARKQBHPC-UHFFFAOYSA-N 1 0 343.449 1.224 20 10 EDCDRO Fc1cc(C[NH2+]Cc2cnc3ccnn3c2)ccc1N1CCOCC1 ZINC000727644441 578536503 /nfs/dbraw/zinc/53/65/03/578536503.db2.gz FGZZGNPUBNLHGP-UHFFFAOYSA-N 1 0 341.390 1.995 20 10 EDCDRO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000728218886 578544953 /nfs/dbraw/zinc/54/49/53/578544953.db2.gz DSJAQVLJBMDXLC-CRAIPNDOSA-N 1 0 346.475 1.930 20 10 EDCDRO C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000732887455 578733937 /nfs/dbraw/zinc/73/39/37/578733937.db2.gz ZWSGMVSXWZEXAU-OAHLLOKOSA-N 1 0 346.475 1.978 20 10 EDCDRO C[NH+](C)Cc1ccc(N2CCN(C(=O)C3=CC(=O)CS3)CC2)nc1 ZINC000734016657 578795388 /nfs/dbraw/zinc/79/53/88/578795388.db2.gz XGHQHWUDBDTGEE-UHFFFAOYSA-N 1 0 346.456 1.873 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCOC[C@@H]3C)CC2)cc1 ZINC000749508671 579728971 /nfs/dbraw/zinc/72/89/71/579728971.db2.gz DKQYPTOPKXTFRD-INIZCTEOSA-N 1 0 347.459 1.455 20 10 EDCDRO CC(=O)N1CCN(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756410850 579949723 /nfs/dbraw/zinc/94/97/23/579949723.db2.gz KLTDFFYURGBZKA-WFASDCNBSA-N 1 0 335.423 1.833 20 10 EDCDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(F)ccc1O ZINC000756643112 579954076 /nfs/dbraw/zinc/95/40/76/579954076.db2.gz RLCHTRXRFCMYCI-JTQLQIEISA-N 1 0 343.380 1.290 20 10 EDCDRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O ZINC000756685540 579954846 /nfs/dbraw/zinc/95/48/46/579954846.db2.gz FQCRYBUDVHMLOA-NSHDSACASA-N 1 0 348.852 1.358 20 10 EDCDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756706494 579955704 /nfs/dbraw/zinc/95/57/04/579955704.db2.gz AJZKUMRRDYTVEA-LBPRGKRZSA-N 1 0 326.462 1.861 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000756776574 579956921 /nfs/dbraw/zinc/95/69/21/579956921.db2.gz QGJGLLXVDKJCIX-LLVKDONJSA-N 1 0 341.429 1.654 20 10 EDCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768444869 580212969 /nfs/dbraw/zinc/21/29/69/580212969.db2.gz DABYVJXVGPOKFL-CZUORRHYSA-N 1 0 332.400 1.405 20 10 EDCDRO COc1cccc(O)c1C[N@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000768533919 580215634 /nfs/dbraw/zinc/21/56/34/580215634.db2.gz WIIXZAKKGIAONS-UHFFFAOYSA-N 1 0 340.420 1.720 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2)C1 ZINC000769926379 580248618 /nfs/dbraw/zinc/24/86/18/580248618.db2.gz PCIRIXQTSHXABV-QGZVFWFLSA-N 1 0 329.444 1.825 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000775372425 580389420 /nfs/dbraw/zinc/38/94/20/580389420.db2.gz ACAKFTVUILMTJF-GFCCVEGCSA-N 1 0 347.415 1.916 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000775835196 580402210 /nfs/dbraw/zinc/40/22/10/580402210.db2.gz SCYFUMQHFNLNHF-CQSZACIVSA-N 1 0 332.448 1.142 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000776521033 580419197 /nfs/dbraw/zinc/41/91/97/580419197.db2.gz UAAMDWHQAQJNMI-KRWDZBQOSA-N 1 0 325.405 1.973 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@@H]2OCCOC)c1 ZINC000776812811 580429548 /nfs/dbraw/zinc/42/95/48/580429548.db2.gz NFJMRHLIWJMOAR-WBVHZDCISA-N 1 0 325.405 1.701 20 10 EDCDRO CC[C@H](CO)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000779827341 580498771 /nfs/dbraw/zinc/49/87/71/580498771.db2.gz GPOILSNPUUNQFC-GOSISDBHSA-N 1 0 345.487 1.853 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000791199857 580786121 /nfs/dbraw/zinc/78/61/21/580786121.db2.gz WVMQTIOSIYPWNK-NSHDSACASA-N 1 0 326.368 1.324 20 10 EDCDRO CC[C@@H]1CC[N@@H+]1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000795651447 580932809 /nfs/dbraw/zinc/93/28/09/580932809.db2.gz YTJQJMIHBCIFJU-SJLPKXTDSA-N 1 0 333.476 1.662 20 10 EDCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000797882672 580983105 /nfs/dbraw/zinc/98/31/05/580983105.db2.gz FREZQEXHDJBOGB-UHFFFAOYSA-N 1 0 344.411 1.858 20 10 EDCDRO COc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(O)c1OC ZINC000892118387 590809225 /nfs/dbraw/zinc/80/92/25/590809225.db2.gz XWWALXXNBJWVQQ-UHFFFAOYSA-N 1 0 349.431 1.789 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000894016668 591171764 /nfs/dbraw/zinc/17/17/64/591171764.db2.gz HRUOQMHIDYIKOH-GFCCVEGCSA-N 1 0 328.434 1.210 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2)cc1 ZINC000895651384 591243749 /nfs/dbraw/zinc/24/37/49/591243749.db2.gz XUHPHRPWVDBQOJ-OWCLPIDISA-N 1 0 344.459 1.477 20 10 EDCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCCNC(=O)C3)cc2)CC1 ZINC000895814351 591279432 /nfs/dbraw/zinc/27/94/32/591279432.db2.gz QGIBXUXZAUFBOG-MRXNPFEDSA-N 1 0 344.459 1.147 20 10 EDCDRO COc1ccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c(O)c1OC ZINC000894419385 591307219 /nfs/dbraw/zinc/30/72/19/591307219.db2.gz TVSZQDADEZXUNB-SNVBAGLBSA-N 1 0 329.418 1.465 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000894776308 591412204 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COC[C@H]1C[NH2+]CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000900450296 592021131 /nfs/dbraw/zinc/02/11/31/592021131.db2.gz LTRRCOIWWQVVIN-RYWCDNDXSA-N 1 0 335.360 1.206 20 10 EDCDRO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc2ccccc2c1O ZINC000903278375 592150715 /nfs/dbraw/zinc/15/07/15/592150715.db2.gz FNVBMNQPBMRUCM-IFXJQAMLSA-N 1 0 330.428 1.889 20 10 EDCDRO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc2ccccc2c1O ZINC000903278376 592150814 /nfs/dbraw/zinc/15/08/14/592150814.db2.gz FNVBMNQPBMRUCM-KUHUBIRLSA-N 1 0 330.428 1.889 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c1 ZINC000903364976 592159606 /nfs/dbraw/zinc/15/96/06/592159606.db2.gz GCGXISXBEKBXQS-XHDPSFHLSA-N 1 0 329.418 1.255 20 10 EDCDRO CN(C)c1ccc(CN(C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903872769 592354301 /nfs/dbraw/zinc/35/43/01/592354301.db2.gz BYPIVAQYHAFXLZ-QGZVFWFLSA-N 1 0 328.464 1.901 20 10 EDCDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cccc(Br)c1O ZINC000907757723 592779943 /nfs/dbraw/zinc/77/99/43/592779943.db2.gz JGXFHYGXAFQVSF-IINYFYTJSA-N 1 0 343.221 1.226 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911493009 592930541 /nfs/dbraw/zinc/93/05/41/592930541.db2.gz IZSCSJKXNPPUPZ-CVEARBPZSA-N 1 0 346.475 1.345 20 10 EDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807099945 593144504 /nfs/dbraw/zinc/14/45/04/593144504.db2.gz HZHJOAJCBINDJR-KRWDZBQOSA-N 1 0 346.475 1.278 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000807678312 593190283 /nfs/dbraw/zinc/19/02/83/593190283.db2.gz WFGRJAQVSHTPRE-DZGCQCFKSA-N 1 0 332.448 1.140 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000809705095 593355747 /nfs/dbraw/zinc/35/57/47/593355747.db2.gz NZWTXOGTHRLNNY-SCLBCKFNSA-N 1 0 347.415 1.744 20 10 EDCDRO C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCNC1=O ZINC000758401566 593403060 /nfs/dbraw/zinc/40/30/60/593403060.db2.gz QPKNJQBVQZLNQM-HNNXBMFYSA-N 1 0 340.379 1.649 20 10 EDCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000811602183 593475003 /nfs/dbraw/zinc/47/50/03/593475003.db2.gz XHSSVJHXCBHQKQ-NSHDSACASA-N 1 0 343.449 1.222 20 10 EDCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000817934626 593650224 /nfs/dbraw/zinc/65/02/24/593650224.db2.gz LKSDTFDHZNCNRA-ZTFGCOKTSA-N 1 0 333.476 1.875 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000817975306 593653059 /nfs/dbraw/zinc/65/30/59/593653059.db2.gz TULVVTDIKKXQQJ-MRXNPFEDSA-N 1 0 347.459 1.731 20 10 EDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968155 593730920 /nfs/dbraw/zinc/73/09/20/593730920.db2.gz MBXGWJPEBPMLCJ-AEFFLSMTSA-N 1 0 349.475 1.265 20 10 EDCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COC3CCOCC3)ccc21 ZINC000818985272 593732557 /nfs/dbraw/zinc/73/25/57/593732557.db2.gz QGUPHBOXRZWOEY-QGZVFWFLSA-N 1 0 334.460 1.715 20 10 EDCDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819064282 593737000 /nfs/dbraw/zinc/73/70/00/593737000.db2.gz VXKFKATYPDEFRK-NSHDSACASA-N 1 0 343.434 1.381 20 10 EDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)CN(C)C3CC3)C2)cc1 ZINC000819378926 593752581 /nfs/dbraw/zinc/75/25/81/593752581.db2.gz AFHUNPVXUOSLPN-CRAIPNDOSA-N 1 0 333.476 1.566 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)cc1F ZINC000820720151 593871380 /nfs/dbraw/zinc/87/13/80/593871380.db2.gz FBYDODMMDSWCTG-UHFFFAOYSA-N 1 0 335.423 1.825 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[NH+]1CCCC1 ZINC000821719330 593923342 /nfs/dbraw/zinc/92/33/42/593923342.db2.gz AEDFKTDYPXSBMG-UHFFFAOYSA-N 1 0 340.807 1.643 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@H](F)C3)CC2)cc1 ZINC000830479117 594403383 /nfs/dbraw/zinc/40/33/83/594403383.db2.gz CAIXYZNICCTBOL-NVXWUHKLSA-N 1 0 337.439 1.222 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]([NH3+])C3CCC3)CC2)cc1 ZINC000829499613 594626567 /nfs/dbraw/zinc/62/65/67/594626567.db2.gz BGFKEIGJLHQDIO-SFHVURJKSA-N 1 0 346.475 1.061 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000827469285 594675166 /nfs/dbraw/zinc/67/51/66/594675166.db2.gz TWJRRNYXRAFXNX-HNNXBMFYSA-N 1 0 344.459 1.276 20 10 EDCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469283 594675207 /nfs/dbraw/zinc/67/52/07/594675207.db2.gz TUBJVWDYHGOGPP-HNAYVOBHSA-N 1 0 346.475 1.522 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](OC)[C@H](C)C1)cc2=O ZINC000831533158 594681372 /nfs/dbraw/zinc/68/13/72/594681372.db2.gz CURVPVGBUPOSSQ-BXUZGUMPSA-N 1 0 348.403 1.468 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000831748770 594699013 /nfs/dbraw/zinc/69/90/13/594699013.db2.gz MXIOIHYDMQZHQF-RISCZKNCSA-N 1 0 327.375 1.620 20 10 EDCDRO C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272988 594739556 /nfs/dbraw/zinc/73/95/56/594739556.db2.gz KZIUGOBMEYOPJW-LRDDRELGSA-N 1 0 344.415 1.280 20 10 EDCDRO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832274823 594739649 /nfs/dbraw/zinc/73/96/49/594739649.db2.gz ZFNRFAPJPMLULL-INMHGKMJSA-N 1 0 347.459 1.848 20 10 EDCDRO CCc1noc(CCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832273765 594739707 /nfs/dbraw/zinc/73/97/07/594739707.db2.gz QAGXAQLWBWVVEJ-HNNXBMFYSA-N 1 0 345.447 1.837 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000832293653 594740839 /nfs/dbraw/zinc/74/08/39/594740839.db2.gz ZRCQCKHITKXNSY-AEFFLSMTSA-N 1 0 325.412 1.872 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000832300042 594741168 /nfs/dbraw/zinc/74/11/68/594741168.db2.gz LKXYQURSEGNYDD-HOCLYGCPSA-N 1 0 346.475 1.516 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000840936022 594830545 /nfs/dbraw/zinc/83/05/45/594830545.db2.gz FVQUNQNORBLRQK-DOTOQJQBSA-N 1 0 339.505 1.869 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCC[NH2+]C1 ZINC000841713273 594942003 /nfs/dbraw/zinc/94/20/03/594942003.db2.gz XDSGUHZPJFAGSP-CQSZACIVSA-N 1 0 336.411 1.214 20 10 EDCDRO CN(c1ccc(CNC(=O)N(CC[NH3+])CCO)cc1)C1CCCCC1 ZINC000841761625 594948360 /nfs/dbraw/zinc/94/83/60/594948360.db2.gz ZAIGIMHGZVEVPM-UHFFFAOYSA-N 1 0 348.491 1.918 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841779814 594950868 /nfs/dbraw/zinc/95/08/68/594950868.db2.gz ZMVULECFDKEDFS-HNNXBMFYSA-N 1 0 346.475 1.963 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000841779189 594951111 /nfs/dbraw/zinc/95/11/11/594951111.db2.gz NBFSPGRVMFNPOU-KSSFIOAISA-N 1 0 346.475 1.961 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841793414 594954254 /nfs/dbraw/zinc/95/42/54/594954254.db2.gz KFEMHESLJFDGOV-SFHVURJKSA-N 1 0 346.475 1.792 20 10 EDCDRO O=C(N[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841943323 594986387 /nfs/dbraw/zinc/98/63/87/594986387.db2.gz KJUHXLHZULGCHN-CVEARBPZSA-N 1 0 333.432 1.835 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cc1F ZINC000841943255 594986573 /nfs/dbraw/zinc/98/65/73/594986573.db2.gz IFJYJIHZUWPRHJ-OAHLLOKOSA-N 1 0 338.427 1.649 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1([NH3+])CCC1 ZINC000841966865 594991251 /nfs/dbraw/zinc/99/12/51/594991251.db2.gz GZKZFSLFEWAOLT-UHFFFAOYSA-N 1 0 332.448 1.546 20 10 EDCDRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149041 595023462 /nfs/dbraw/zinc/02/34/62/595023462.db2.gz UEKMKZRJPKLKRN-UHFFFAOYSA-N 1 0 338.427 1.142 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842202998 595037100 /nfs/dbraw/zinc/03/71/00/595037100.db2.gz NWMKLELVCMXNSR-DZGCQCFKSA-N 1 0 332.448 1.188 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842203910 595037428 /nfs/dbraw/zinc/03/74/28/595037428.db2.gz YNBKCJPHAXJLIM-CYBMUJFWSA-N 1 0 332.448 1.046 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000842208400 595039286 /nfs/dbraw/zinc/03/92/86/595039286.db2.gz TXPAQIWBHTXNNB-HOTGVXAUSA-N 1 0 346.475 1.393 20 10 EDCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000842212250 595041010 /nfs/dbraw/zinc/04/10/10/595041010.db2.gz DEAPYDJAHFVBDY-RHSMWYFYSA-N 1 0 344.459 1.099 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000843261534 595056654 /nfs/dbraw/zinc/05/66/54/595056654.db2.gz LOFIDGUEUXYGTK-KBPBESRZSA-N 1 0 334.464 1.343 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000842259786 595058119 /nfs/dbraw/zinc/05/81/19/595058119.db2.gz QCCJNBKAEQOREI-GOEBONIOSA-N 1 0 347.459 1.765 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000843266567 595058136 /nfs/dbraw/zinc/05/81/36/595058136.db2.gz YERDXQFPCOWRHO-UONOGXRCSA-N 1 0 335.448 1.763 20 10 EDCDRO CC[C@H](C)[C@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)C(=O)OC ZINC000843350394 595082569 /nfs/dbraw/zinc/08/25/69/595082569.db2.gz OEVJQUJPWVTUFN-UGSOOPFHSA-N 1 0 347.459 1.602 20 10 EDCDRO Cc1cc(Br)c(O)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000843423684 595107021 /nfs/dbraw/zinc/10/70/21/595107021.db2.gz IDGCOWSUIZNMFV-CYBMUJFWSA-N 1 0 341.249 1.714 20 10 EDCDRO CS(=O)(=O)Nc1ccc(O)c(-c2nc(C3([NH3+])CCCC3)no2)c1 ZINC000842591995 595134329 /nfs/dbraw/zinc/13/43/29/595134329.db2.gz GGBHFAHQWUPYIJ-UHFFFAOYSA-N 1 0 338.389 1.542 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c1O ZINC000846139063 595154723 /nfs/dbraw/zinc/15/47/23/595154723.db2.gz PHEJIFAPKVRZAK-LLVKDONJSA-N 1 0 328.434 1.475 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000846333001 595208519 /nfs/dbraw/zinc/20/85/19/595208519.db2.gz WYXDQXWNJQVPMW-UHFFFAOYSA-N 1 0 346.475 1.265 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000835042421 595252401 /nfs/dbraw/zinc/25/24/01/595252401.db2.gz VHKKRKMLLXBNKM-UKINESCASA-N 1 0 337.489 1.779 20 10 EDCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000843063367 595277544 /nfs/dbraw/zinc/27/75/44/595277544.db2.gz ABDHNHMPXMQJDY-SIEMBAAWSA-N 1 0 342.487 1.662 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c1O ZINC000843066424 595279413 /nfs/dbraw/zinc/27/94/13/595279413.db2.gz XAMYQNLTVDXAQB-HNNXBMFYSA-N 1 0 333.432 1.187 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000844173029 595291365 /nfs/dbraw/zinc/29/13/65/595291365.db2.gz RBXSVEFDKZGRGV-CUFDPUGPSA-N 1 0 335.423 1.793 20 10 EDCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000844173756 595291840 /nfs/dbraw/zinc/29/18/40/595291840.db2.gz UUQKKHKZQJBVCQ-GUYCJALGSA-N 1 0 349.450 1.791 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844217051 595304575 /nfs/dbraw/zinc/30/45/75/595304575.db2.gz AIHNSMIUDADSNE-CRAIPNDOSA-N 1 0 332.492 1.913 20 10 EDCDRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399542 595337429 /nfs/dbraw/zinc/33/74/29/595337429.db2.gz LGUQVEHFYNXRQS-ZDUSSCGKSA-N 1 0 336.436 1.297 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCCC[C@H]2CO)cc1 ZINC000847015872 595351028 /nfs/dbraw/zinc/35/10/28/595351028.db2.gz VYVSNXHUVUHFRP-SFHVURJKSA-N 1 0 333.476 1.948 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848410652 595374966 /nfs/dbraw/zinc/37/49/66/595374966.db2.gz IHKDBOQGHZDTQW-HNAYVOBHSA-N 1 0 347.434 1.668 20 10 EDCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)c1O ZINC000848898902 595464678 /nfs/dbraw/zinc/46/46/78/595464678.db2.gz ZZQMLTQKMVRUKI-HNNXBMFYSA-N 1 0 328.416 1.892 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=[NH2+])NCC3CCC3)cc2)C1 ZINC000849070473 595477742 /nfs/dbraw/zinc/47/77/42/595477742.db2.gz ONEZGIPWBZPLRF-INIZCTEOSA-N 1 0 343.475 1.802 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=S)NC3CC[NH+](C)CC3)C2)cc1 ZINC000849270319 595498943 /nfs/dbraw/zinc/49/89/43/595498943.db2.gz BKNZBUZTYQJEBU-OAHLLOKOSA-N 1 0 348.516 1.832 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852817501 595556887 /nfs/dbraw/zinc/55/68/87/595556887.db2.gz YFEKTKFUZPMHTD-AWEZNQCLSA-N 1 0 329.404 1.571 20 10 EDCDRO Nc1ccc(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000852844000 595571023 /nfs/dbraw/zinc/57/10/23/595571023.db2.gz MLYFSARARFPYEG-UHFFFAOYSA-N 1 0 331.460 1.819 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)N3CCOC4(C[NH2+]C4)C3)cs2)cc1 ZINC000853245302 595718656 /nfs/dbraw/zinc/71/86/56/595718656.db2.gz JKVAHSVIQLFEDL-UHFFFAOYSA-N 1 0 344.440 1.131 20 10 EDCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCSC3)cc2)CC1 ZINC000850355889 595817199 /nfs/dbraw/zinc/81/71/99/595817199.db2.gz MMLXUDZQIJZEKL-OAHLLOKOSA-N 1 0 340.514 1.907 20 10 EDCDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(Br)cc1O ZINC000858548846 595825035 /nfs/dbraw/zinc/82/50/35/595825035.db2.gz QAKJFEJMGPGCFC-ZYHUDNBSSA-N 1 0 329.238 1.872 20 10 EDCDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000858601660 595839415 /nfs/dbraw/zinc/83/94/15/595839415.db2.gz ICEXEZMLTBJDAR-JQWIXIFHSA-N 1 0 329.238 1.872 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCC(F)(F)F)cc1 ZINC000858612833 595843484 /nfs/dbraw/zinc/84/34/84/595843484.db2.gz ZYVQHFFHURYALN-LBPRGKRZSA-N 1 0 339.383 1.624 20 10 EDCDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851677532 595880979 /nfs/dbraw/zinc/88/09/79/595880979.db2.gz SEMVIUDHEJBOHY-GOSISDBHSA-N 1 0 348.491 1.820 20 10 EDCDRO CC1(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[NH2+]CC1 ZINC000851680976 595882939 /nfs/dbraw/zinc/88/29/39/595882939.db2.gz MDEYHEXKCUAYRB-UHFFFAOYSA-N 1 0 346.475 1.589 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000851685881 595884761 /nfs/dbraw/zinc/88/47/61/595884761.db2.gz HNTCPFOGFJYRMN-UHFFFAOYSA-N 1 0 346.475 1.537 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254117 595935686 /nfs/dbraw/zinc/93/56/86/595935686.db2.gz RPYBEVRPSIGSIK-TXTHVTMNSA-N 1 0 332.400 1.169 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)cc2)CC1 ZINC000854230801 596008665 /nfs/dbraw/zinc/00/86/65/596008665.db2.gz YYMIMCBAGPDIJS-WOJBJXKFSA-N 1 0 345.487 1.504 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3=CC[N@H+](C)CC3)C2)cc1 ZINC000854298612 596026205 /nfs/dbraw/zinc/02/62/05/596026205.db2.gz GTGDSOHDXSHZCG-INIZCTEOSA-N 1 0 344.459 1.835 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](O)C3CC3)CC2)cc1 ZINC000854311168 596032771 /nfs/dbraw/zinc/03/27/71/596032771.db2.gz ZLRAEBHXTDDIGQ-SFHVURJKSA-N 1 0 347.459 1.094 20 10 EDCDRO C[NH2+]CCOCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000861678215 596065450 /nfs/dbraw/zinc/06/54/50/596065450.db2.gz UUWGIVATGWYBSZ-UHFFFAOYSA-N 1 0 336.480 1.909 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000852186766 596076888 /nfs/dbraw/zinc/07/68/88/596076888.db2.gz HZEYBYGOOIJLJS-LSDHHAIUSA-N 1 0 332.448 1.667 20 10 EDCDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852187113 596077328 /nfs/dbraw/zinc/07/73/28/596077328.db2.gz NFQMYMARQUNVKR-HNNXBMFYSA-N 1 0 348.491 1.787 20 10 EDCDRO CC1([NH+]2CCOCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000862958141 596465841 /nfs/dbraw/zinc/46/58/41/596465841.db2.gz AKNRPWGWWALOTK-HWKANZROSA-N 1 0 346.427 1.824 20 10 EDCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1 ZINC000863301304 596544009 /nfs/dbraw/zinc/54/40/09/596544009.db2.gz VLFLXQZYGHJCJU-UHFFFAOYSA-N 1 0 329.404 1.537 20 10 EDCDRO Oc1cccc(Br)c1C[NH2+]C1CN(c2ccncn2)C1 ZINC000865748078 596668523 /nfs/dbraw/zinc/66/85/23/596668523.db2.gz XEXLEHUUVWYZIP-UHFFFAOYSA-N 1 0 335.205 1.923 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1 ZINC000865770363 596676773 /nfs/dbraw/zinc/67/67/73/596676773.db2.gz KOMDLFHQDKGDDS-DDKKJVIOSA-N 1 0 331.416 1.577 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c(Cl)c1 ZINC000865771167 596677547 /nfs/dbraw/zinc/67/75/47/596677547.db2.gz SIOGEZRVXSEQNL-OAHLLOKOSA-N 1 0 326.780 1.665 20 10 EDCDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299625 596775312 /nfs/dbraw/zinc/77/53/12/596775312.db2.gz KIQGDDSJWAGDMP-UHFFFAOYSA-N 1 0 337.379 1.519 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872187905 596826101 /nfs/dbraw/zinc/82/61/01/596826101.db2.gz LSFSOWOJJMIWOA-HNAYVOBHSA-N 1 0 345.443 1.199 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)cc1F ZINC000872200044 596832274 /nfs/dbraw/zinc/83/22/74/596832274.db2.gz VFYUFADVEKQULO-AWEZNQCLSA-N 1 0 326.412 1.274 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CC34CCC4)CC2)cc1 ZINC000872250274 596853594 /nfs/dbraw/zinc/85/35/94/596853594.db2.gz HIEMFVQXVVOSBI-MJGOQNOKSA-N 1 0 345.487 1.710 20 10 EDCDRO CCONC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125625044 597008644 /nfs/dbraw/zinc/00/86/44/597008644.db2.gz OPUYMVYZHADEDR-UHFFFAOYSA-N 1 0 332.448 1.969 20 10 EDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873093353 597189822 /nfs/dbraw/zinc/18/98/22/597189822.db2.gz ODGFFDOUSKIURQ-UHFFFAOYSA-N 1 0 330.432 1.802 20 10 EDCDRO Cc1cnc(COCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000876506863 597224562 /nfs/dbraw/zinc/22/45/62/597224562.db2.gz PNDBFXGBBKGNLX-HNNXBMFYSA-N 1 0 332.404 1.382 20 10 EDCDRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccc(N2CCCC2)cc1 ZINC000875098712 597280490 /nfs/dbraw/zinc/28/04/90/597280490.db2.gz AXMBUYJLUQYCRX-KRWDZBQOSA-N 1 0 332.448 1.153 20 10 EDCDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCOCC2)cc1 ZINC000876727132 597308129 /nfs/dbraw/zinc/30/81/29/597308129.db2.gz ULLXQHHSJYWYKJ-SBSDFTTDSA-N 1 0 329.444 1.695 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)c3c(C[NH3+])cnn3C)CC2)cc1 ZINC000876732688 597311114 /nfs/dbraw/zinc/31/11/14/597311114.db2.gz CRFMAQWNKRTLNB-UHFFFAOYSA-N 1 0 343.431 1.240 20 10 EDCDRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1Cc2cccc(O)c2C1 ZINC000875395085 597412364 /nfs/dbraw/zinc/41/23/64/597412364.db2.gz WSLFHULIIZHNGA-WMZOPIPTSA-N 1 0 345.443 1.795 20 10 EDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000877138624 597440895 /nfs/dbraw/zinc/44/08/95/597440895.db2.gz PGKZXXLJLVBONA-CZUORRHYSA-N 1 0 325.430 1.527 20 10 EDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000877138623 597441050 /nfs/dbraw/zinc/44/10/50/597441050.db2.gz PGKZXXLJLVBONA-CJNGLKHVSA-N 1 0 325.430 1.527 20 10 EDCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000130891836 597637785 /nfs/dbraw/zinc/63/77/85/597637785.db2.gz XCAYKXSTGMDBLI-WHEQGISXSA-N 1 0 328.453 1.861 20 10 EDCDRO C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1c1cc[nH+]cc1 ZINC000881633999 597666688 /nfs/dbraw/zinc/66/66/88/597666688.db2.gz ROUZPABUNCYZJJ-LLVKDONJSA-N 1 0 331.347 1.983 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000879652272 597674638 /nfs/dbraw/zinc/67/46/38/597674638.db2.gz BPMBYEPJLITKPY-XQQFMLRXSA-N 1 0 340.445 1.077 20 10 EDCDRO CCCn1cc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000883283148 597699625 /nfs/dbraw/zinc/69/96/25/597699625.db2.gz RYQXVUJERNRYBJ-UHFFFAOYSA-N 1 0 328.464 1.730 20 10 EDCDRO Cc1noc(C)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849538 597753325 /nfs/dbraw/zinc/75/33/25/597753325.db2.gz QSPKHWWRNNFTNP-UHFFFAOYSA-N 1 0 328.416 1.973 20 10 EDCDRO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000881852697 597755127 /nfs/dbraw/zinc/75/51/27/597755127.db2.gz YQJAFOGCGZRYCG-WBVHZDCISA-N 1 0 331.460 1.870 20 10 EDCDRO CNc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881854037 597756064 /nfs/dbraw/zinc/75/60/64/597756064.db2.gz SNQIQVCBYPJLDV-UHFFFAOYSA-N 1 0 339.443 1.805 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH]cn3)cc2)CC1 ZINC000881854133 597756539 /nfs/dbraw/zinc/75/65/39/597756539.db2.gz TXUMCDWOFUVARY-UHFFFAOYSA-N 1 0 327.432 1.411 20 10 EDCDRO C[C@@H]1CSC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883692880 597864010 /nfs/dbraw/zinc/86/40/10/597864010.db2.gz ODGMXEFJSIPFQI-RHSMWYFYSA-N 1 0 348.516 1.989 20 10 EDCDRO CO[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@](C)(CO)C1 ZINC000879260008 597867875 /nfs/dbraw/zinc/86/78/75/597867875.db2.gz SEXUWHRQJRJXMY-PKOBYXMFSA-N 1 0 349.475 1.183 20 10 EDCDRO Cc1cc(Cn2cc(C[C@H]([NH3+])CO)nn2)ccc1N1CCCCC1 ZINC000881378441 598136287 /nfs/dbraw/zinc/13/62/87/598136287.db2.gz CFVFPNREMWGGJM-INIZCTEOSA-N 1 0 329.448 1.487 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400224 695388534 /nfs/dbraw/zinc/38/85/34/695388534.db2.gz FQNCTCWCHCBFMK-YOEHRIQHSA-N 1 0 332.448 1.588 20 10 EDCDRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922827963 704391343 /nfs/dbraw/zinc/39/13/43/704391343.db2.gz XHTRGOCFNQDKJN-MRXNPFEDSA-N 1 0 326.462 1.172 20 10 EDCDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922106529 709701321 /nfs/dbraw/zinc/70/13/21/709701321.db2.gz QQCBHUIYOQNIMX-HOTGVXAUSA-N 1 0 338.473 1.819 20 10 EDCDRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922332377 711063818 /nfs/dbraw/zinc/06/38/18/711063818.db2.gz FDXYNFZGTPHHSG-UHFFFAOYSA-N 1 0 327.384 1.899 20 10 EDCDRO C[NH+]1CCN(c2ncccc2CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000262655192 249321929 /nfs/dbraw/zinc/32/19/29/249321929.db2.gz TWTVCOJIYBRQRE-UHFFFAOYSA-N 1 0 339.443 1.275 20 10 EDCDRO C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCN3C)C[C@H](C)[N@H+]1CCO ZINC000366120729 250189294 /nfs/dbraw/zinc/18/92/94/250189294.db2.gz FMJVPHHCBLLKKR-GASCZTMLSA-N 1 0 346.475 1.275 20 10 EDCDRO CCNS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378236670 250298409 /nfs/dbraw/zinc/29/84/09/250298409.db2.gz SVQQNTXLFGYECG-ZDUSSCGKSA-N 1 0 347.868 1.454 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000373218813 295004087 /nfs/dbraw/zinc/00/40/87/295004087.db2.gz VDRKTGHWDIKESV-TZMCWYRMSA-N 1 0 334.416 1.900 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419707467 447363036 /nfs/dbraw/zinc/36/30/36/447363036.db2.gz LWMHUGWMWWBHQP-WFASDCNBSA-N 1 0 342.443 1.217 20 10 EDCDRO Cc1cccc(C[N@H+]2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)c1O ZINC000378436738 447427676 /nfs/dbraw/zinc/42/76/76/447427676.db2.gz DBNDUSKVAANUHR-SJLPKXTDSA-N 1 0 333.476 1.537 20 10 EDCDRO CCS(=O)(=O)NCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000068811593 441857231 /nfs/dbraw/zinc/85/72/31/441857231.db2.gz YRKHJANNCFCQAQ-UHFFFAOYSA-N 1 0 341.477 1.147 20 10 EDCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000163460101 442167294 /nfs/dbraw/zinc/16/72/94/442167294.db2.gz ZGWDYAALOPGJLZ-CQSZACIVSA-N 1 0 326.462 1.609 20 10 EDCDRO COCCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154025766 442317164 /nfs/dbraw/zinc/31/71/64/442317164.db2.gz OAISBEBKFCFASO-AWEZNQCLSA-N 1 0 326.412 1.976 20 10 EDCDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000177873451 442392071 /nfs/dbraw/zinc/39/20/71/442392071.db2.gz ONONAFMBIWGCEZ-BBRMVZONSA-N 1 0 335.423 1.982 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000179676399 442488439 /nfs/dbraw/zinc/48/84/39/442488439.db2.gz CTBWCPNOAOUMJL-UHFFFAOYSA-N 1 0 347.459 1.531 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC000179683604 442489633 /nfs/dbraw/zinc/48/96/33/442489633.db2.gz ONQQBKCKTPGEHE-UHFFFAOYSA-N 1 0 342.399 1.217 20 10 EDCDRO O=S(=O)(CC[NH2+]Cc1cc(F)ccc1O)NC[C@H]1CCCCO1 ZINC000180763477 442657313 /nfs/dbraw/zinc/65/73/13/442657313.db2.gz POEMHMOAMUMNQU-CQSZACIVSA-N 1 0 346.424 1.109 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(Cn3cncn3)CC2)cc1OC ZINC000186913658 442629317 /nfs/dbraw/zinc/62/93/17/442629317.db2.gz GPUGEBQUPSZCPM-UHFFFAOYSA-N 1 0 332.404 1.913 20 10 EDCDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000181474438 442699234 /nfs/dbraw/zinc/69/92/34/442699234.db2.gz FFGCYBPVEUNIGI-GFCCVEGCSA-N 1 0 337.395 1.764 20 10 EDCDRO C[NH+](C)C/C=C/C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000265721490 442893792 /nfs/dbraw/zinc/89/37/92/442893792.db2.gz ZLYUGAWSJZYPQI-ONEGZZNKSA-N 1 0 331.460 1.629 20 10 EDCDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000268776843 443105493 /nfs/dbraw/zinc/10/54/93/443105493.db2.gz WDNCMHWFYFWBJH-CABCVRRESA-N 1 0 338.473 1.609 20 10 EDCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)ccc21 ZINC000264882482 443465348 /nfs/dbraw/zinc/46/53/48/443465348.db2.gz TWYLBVZBUWJNMZ-QGZVFWFLSA-N 1 0 345.491 1.114 20 10 EDCDRO COC(=O)c1cn(C2CC[NH+](Cc3cc(OC)ccc3O)CC2)nn1 ZINC000273718652 443585198 /nfs/dbraw/zinc/58/51/98/443585198.db2.gz HQQUISAMGSRTDZ-UHFFFAOYSA-N 1 0 346.387 1.616 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1C ZINC000275391053 443626726 /nfs/dbraw/zinc/62/67/26/443626726.db2.gz BYPKIZAGCAMBQE-CQSZACIVSA-N 1 0 328.416 1.651 20 10 EDCDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283840054 443738321 /nfs/dbraw/zinc/73/83/21/443738321.db2.gz CJRSPERTHXACTB-HNNXBMFYSA-N 1 0 346.475 1.217 20 10 EDCDRO CS(=O)(=O)CC1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000295030478 444164027 /nfs/dbraw/zinc/16/40/27/444164027.db2.gz DEZOTMLVEJBZHI-UHFFFAOYSA-N 1 0 341.429 1.814 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000290014557 444231113 /nfs/dbraw/zinc/23/11/13/444231113.db2.gz QNGNZWDIMOFOJA-MOPGFXCFSA-N 1 0 345.487 1.900 20 10 EDCDRO COc1ccc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000367594481 446565813 /nfs/dbraw/zinc/56/58/13/446565813.db2.gz QJEXERCEEYKGDU-KDURUIRLSA-N 1 0 331.460 1.680 20 10 EDCDRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)CCO2 ZINC000375043270 446537723 /nfs/dbraw/zinc/53/77/23/446537723.db2.gz VPVYDDBXMJOJQL-HIFRSBDPSA-N 1 0 345.848 1.872 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1 ZINC000376013456 447210889 /nfs/dbraw/zinc/21/08/89/447210889.db2.gz IFQNAMPSLWDPNR-KBXCAEBGSA-N 1 0 335.400 1.802 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000297975125 535260156 /nfs/dbraw/zinc/26/01/56/535260156.db2.gz HWMNKBNDGWXURZ-MRXNPFEDSA-N 1 0 347.459 1.683 20 10 EDCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390077 579450455 /nfs/dbraw/zinc/45/04/55/579450455.db2.gz ATQSGUWNTQDIGG-WFASDCNBSA-N 1 0 344.415 1.808 20 10 EDCDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C(=O)N1c1cnn(C)c1 ZINC000742391508 579450628 /nfs/dbraw/zinc/45/06/28/579450628.db2.gz KQIOEVLZGITZDM-GWCFXTLKSA-N 1 0 344.371 1.138 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C(=O)N1c1cnn(C)c1 ZINC000742391491 579450640 /nfs/dbraw/zinc/45/06/40/579450640.db2.gz JXDDDVLMDUYWNG-WBMJQRKESA-N 1 0 345.422 1.909 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)CN2CCCC2=O)C2CC2)cc1 ZINC000732408293 578710488 /nfs/dbraw/zinc/71/04/88/578710488.db2.gz GXBDFMMUPTVYDZ-SFHVURJKSA-N 1 0 331.460 1.700 20 10 EDCDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000736663791 579009829 /nfs/dbraw/zinc/00/98/29/579009829.db2.gz AHHMXVCWVCMMGZ-STQMWFEESA-N 1 0 337.420 1.482 20 10 EDCDRO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756491383 579950931 /nfs/dbraw/zinc/95/09/31/579950931.db2.gz VGUUKZRYOWMIRK-AWEZNQCLSA-N 1 0 331.460 1.696 20 10 EDCDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756684542 579954833 /nfs/dbraw/zinc/95/48/33/579954833.db2.gz YNFNECGVUORIGB-CMPLNLGQSA-N 1 0 330.425 1.997 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCOC1 ZINC000765245439 580138328 /nfs/dbraw/zinc/13/83/28/580138328.db2.gz PJBPVMGPYQGRHB-XIRDDKMYSA-N 1 0 331.460 1.903 20 10 EDCDRO CNC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000766593193 580169946 /nfs/dbraw/zinc/16/99/46/580169946.db2.gz RYKRGQDHUOLHAZ-UHFFFAOYSA-N 1 0 343.427 1.697 20 10 EDCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000773106126 580327226 /nfs/dbraw/zinc/32/72/26/580327226.db2.gz IQVZSNZLXQJOKP-KBPBESRZSA-N 1 0 326.462 1.607 20 10 EDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000775010822 580380687 /nfs/dbraw/zinc/38/06/87/580380687.db2.gz DSQPXFLHWFTLKT-QGZVFWFLSA-N 1 0 336.457 1.704 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000775714989 580398259 /nfs/dbraw/zinc/39/82/59/580398259.db2.gz ACRYTKXGTJGCDE-MRXNPFEDSA-N 1 0 343.393 1.938 20 10 EDCDRO COC(=O)[C@]1(F)CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735805 580398977 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CCOc1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c(O)c1 ZINC000897831985 591688645 /nfs/dbraw/zinc/68/86/45/591688645.db2.gz HNAKVXZYGNVURC-UHFFFAOYSA-N 1 0 328.434 1.306 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+](C)C)cc1 ZINC000899100622 591689992 /nfs/dbraw/zinc/68/99/92/591689992.db2.gz AYXMWDVYGOZTAJ-PKOBYXMFSA-N 1 0 348.491 1.912 20 10 EDCDRO COC(=O)c1cc(C2C[NH+](Cc3ccc(OC)c(OC)c3O)C2)[nH]n1 ZINC000898002090 591742468 /nfs/dbraw/zinc/74/24/68/591742468.db2.gz NFESOFNEQRYKEA-UHFFFAOYSA-N 1 0 347.371 1.519 20 10 EDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H](CO)C1 ZINC000898359811 591871620 /nfs/dbraw/zinc/87/16/20/591871620.db2.gz UPDSHVWLULTQDB-HIFRSBDPSA-N 1 0 339.411 1.431 20 10 EDCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000898359812 591871895 /nfs/dbraw/zinc/87/18/95/591871895.db2.gz UPDSHVWLULTQDB-UKRRQHHQSA-N 1 0 339.411 1.431 20 10 EDCDRO COCC[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900185639 591932495 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ZINC000817891391 593645733 /nfs/dbraw/zinc/64/57/33/593645733.db2.gz BMIFSXARUMLAAT-RHSMWYFYSA-N 1 0 337.489 1.009 20 10 EDCDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817919830 593648732 /nfs/dbraw/zinc/64/87/32/593648732.db2.gz ZLSYOXURSDFXJB-GOEBONIOSA-N 1 0 346.475 1.297 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000817949653 593651391 /nfs/dbraw/zinc/65/13/91/593651391.db2.gz LKZYOVGRUAWVGE-HOCLYGCPSA-N 1 0 345.443 1.341 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000818654808 593710502 /nfs/dbraw/zinc/71/05/02/593710502.db2.gz GGOTYOALBHXMNS-OAGGEKHMSA-N 1 0 346.475 1.948 20 10 EDCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966375 593730907 /nfs/dbraw/zinc/73/09/07/593730907.db2.gz JTVQTXMGATWBJS-KCQAQPDRSA-N 1 0 326.412 1.536 20 10 EDCDRO C[N@H+](C[C@@H](O)CNCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000818966667 593730986 /nfs/dbraw/zinc/73/09/86/593730986.db2.gz 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CN(C)c1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000825148030 594136525 /nfs/dbraw/zinc/13/65/25/594136525.db2.gz OYPCYEYRCVDFSJ-GOSISDBHSA-N 1 0 330.476 1.539 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1OC ZINC000825278556 594160599 /nfs/dbraw/zinc/16/05/99/594160599.db2.gz FKDXQQRSFVWDLZ-ZDUSSCGKSA-N 1 0 337.420 1.645 20 10 EDCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(=O)NC ZINC000825316771 594165588 /nfs/dbraw/zinc/16/55/88/594165588.db2.gz STXLOTMIIDKEAY-JTQLQIEISA-N 1 0 331.210 1.778 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000825942900 594287106 /nfs/dbraw/zinc/28/71/06/594287106.db2.gz NWNDTNOFXOEFIH-OAHLLOKOSA-N 1 0 342.447 1.368 20 10 EDCDRO [NH3+]CCOCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665299 594451750 /nfs/dbraw/zinc/45/17/50/594451750.db2.gz SXEOMEFJFLAMHD-LBPRGKRZSA-N 1 0 343.374 1.348 20 10 EDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC000826534992 594521047 /nfs/dbraw/zinc/52/10/47/594521047.db2.gz OKVKKJQAEDUELB-LLVKDONJSA-N 1 0 337.221 1.930 20 10 EDCDRO O=C(C[C@@H]1C[NH2+]CCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003792 594547196 /nfs/dbraw/zinc/54/71/96/594547196.db2.gz REEXFFIXAMGDDJ-HZPDHXFCSA-N 1 0 334.416 1.278 20 10 EDCDRO COC[C@]1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC[NH2+]C1 ZINC000827458506 594673906 /nfs/dbraw/zinc/67/39/06/594673906.db2.gz GRFPCLUDKFCRTK-IBGZPJMESA-N 1 0 347.459 1.360 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000827459063 594674156 /nfs/dbraw/zinc/67/41/56/594674156.db2.gz SJEPHWXDEQSCBW-AWEZNQCLSA-N 1 0 327.375 1.716 20 10 EDCDRO Cc1ncc(Cl)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832274569 594739552 /nfs/dbraw/zinc/73/95/52/594739552.db2.gz VYZLVPDQFQYRHS-CQSZACIVSA-N 1 0 333.823 1.934 20 10 EDCDRO Cc1cc(O)c(CN2CC[NH+](CCC(=O)N(C)C)CC2)c(Cl)c1 ZINC000840915632 594827474 /nfs/dbraw/zinc/82/74/74/594827474.db2.gz DTHUANKDCNDYQP-UHFFFAOYSA-N 1 0 339.867 1.950 20 10 EDCDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841006807 594838230 /nfs/dbraw/zinc/83/82/30/594838230.db2.gz IEJZCJXVABTWGH-MRXNPFEDSA-N 1 0 332.448 1.834 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000841071976 594847684 /nfs/dbraw/zinc/84/76/84/594847684.db2.gz KQDZNFWLDLDBQX-GUYCJALGSA-N 1 0 342.443 1.683 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000836223483 594939897 /nfs/dbraw/zinc/93/98/97/594939897.db2.gz BKOLAAOYZNKGFY-QGZVFWFLSA-N 1 0 334.464 1.399 20 10 EDCDRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000841741231 594946162 /nfs/dbraw/zinc/94/61/62/594946162.db2.gz MGTZDIZESZVOII-RHSMWYFYSA-N 1 0 332.448 1.717 20 10 EDCDRO COc1ccccc1[C@H](N)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846258 594963702 /nfs/dbraw/zinc/96/37/02/594963702.db2.gz NMTNTFVNWCJDBY-WMZOPIPTSA-N 1 0 342.443 1.577 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)c2c(F)cccc2F)cc1 ZINC000841846689 594963912 /nfs/dbraw/zinc/96/39/12/594963912.db2.gz SJOQOXHNCWJQQO-DOTOQJQBSA-N 1 0 348.397 1.847 20 10 EDCDRO FC(F)CN1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000841894093 594975395 /nfs/dbraw/zinc/97/53/95/594975395.db2.gz NDSBWUHPCXGSLB-OAHLLOKOSA-N 1 0 325.403 1.952 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000841920863 594981966 /nfs/dbraw/zinc/98/19/66/594981966.db2.gz RRYPRWYZZUOWHL-UHFFFAOYSA-N 1 0 348.447 1.136 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000842010432 595001844 /nfs/dbraw/zinc/00/18/44/595001844.db2.gz HHDDPNPVGALLQA-KRWDZBQOSA-N 1 0 334.464 1.663 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000842070010 595012927 /nfs/dbraw/zinc/01/29/27/595012927.db2.gz JUIJETFIRWSYPO-ZBFHGGJFSA-N 1 0 346.475 1.058 20 10 EDCDRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000842070647 595013023 /nfs/dbraw/zinc/01/30/23/595013023.db2.gz PMCGYRCAIZQCRK-HNNXBMFYSA-N 1 0 348.491 1.224 20 10 EDCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000842166835 595027867 /nfs/dbraw/zinc/02/78/67/595027867.db2.gz UEJLWXSTLBHWKT-INIZCTEOSA-N 1 0 333.432 1.315 20 10 EDCDRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000842203296 595037668 /nfs/dbraw/zinc/03/76/68/595037668.db2.gz QKXHSYLJBCDSCL-WMLDXEAASA-N 1 0 346.475 1.530 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000842208118 595039401 /nfs/dbraw/zinc/03/94/01/595039401.db2.gz RJFXZLYTXBONRE-INIZCTEOSA-N 1 0 346.475 1.265 20 10 EDCDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000837135418 595041419 /nfs/dbraw/zinc/04/14/19/595041419.db2.gz SIEZWVBFFJZPIX-UHFFFAOYSA-N 1 0 335.448 1.552 20 10 EDCDRO CC[NH2+]CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000842231218 595046448 /nfs/dbraw/zinc/04/64/48/595046448.db2.gz GIUXIQHATNOPEZ-UHFFFAOYSA-N 1 0 334.464 1.215 20 10 EDCDRO CC(=O)NCCCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297445 595066327 /nfs/dbraw/zinc/06/63/27/595066327.db2.gz JGJLIFXKIZNXTR-QGZVFWFLSA-N 1 0 334.464 1.565 20 10 EDCDRO COC(=O)C1CCN(C(=O)CN2CCCc3cc(C[NH3+])ccc32)CC1 ZINC000843350291 595082732 /nfs/dbraw/zinc/08/27/32/595082732.db2.gz LZMFLMMSZCLBOH-UHFFFAOYSA-N 1 0 345.443 1.310 20 10 EDCDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CCO1 ZINC000834317471 595092517 /nfs/dbraw/zinc/09/25/17/595092517.db2.gz VVLFZCUUQWZYQH-NHYWBVRUSA-N 1 0 346.456 1.504 20 10 EDCDRO CC1(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C[NH2+]C1 ZINC000843483971 595125794 /nfs/dbraw/zinc/12/57/94/595125794.db2.gz GISISSJMEFECKC-HNNXBMFYSA-N 1 0 334.416 1.278 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000846142448 595155883 /nfs/dbraw/zinc/15/58/83/595155883.db2.gz TZZGVEIRKUDEMW-NEPJUHHUSA-N 1 0 328.434 1.475 20 10 EDCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)n(C)n1 ZINC000834673080 595187761 /nfs/dbraw/zinc/18/77/61/595187761.db2.gz MPPMJQKUFPRAHK-KGLIPLIRSA-N 1 0 326.400 1.817 20 10 EDCDRO CCCN(CCC)S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785050 595197554 /nfs/dbraw/zinc/19/75/54/595197554.db2.gz NZCNDKNSEVWOPS-INIZCTEOSA-N 1 0 342.509 1.709 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCc2ccccc2)cc1 ZINC000842785754 595198311 /nfs/dbraw/zinc/19/83/11/595198311.db2.gz VYDAIJVHZLLGFC-GOSISDBHSA-N 1 0 347.484 1.915 20 10 EDCDRO CC(C)NS(=O)(=O)NCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835048944 595252942 /nfs/dbraw/zinc/25/29/42/595252942.db2.gz NNVUZPGOAZFAPL-WAYWQWQTSA-N 1 0 340.493 1.188 20 10 EDCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCCN12 ZINC000835074153 595257496 /nfs/dbraw/zinc/25/74/96/595257496.db2.gz QMTGKHXBYCYJMU-QZTJIDSGSA-N 1 0 329.444 1.766 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000844171413 595290873 /nfs/dbraw/zinc/29/08/73/595290873.db2.gz SSZSMZVJRYGYSP-OAHLLOKOSA-N 1 0 339.386 1.384 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174100 595291779 /nfs/dbraw/zinc/29/17/79/595291779.db2.gz LRWRAVIALLUZJG-KBXCAEBGSA-N 1 0 331.460 1.510 20 10 EDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174101 595291821 /nfs/dbraw/zinc/29/18/21/595291821.db2.gz LRWRAVIALLUZJG-KDOFPFPSSA-N 1 0 331.460 1.510 20 10 EDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000848566946 595406369 /nfs/dbraw/zinc/40/63/69/595406369.db2.gz MQASAWVJEKKBBA-OAHLLOKOSA-N 1 0 327.432 1.299 20 10 EDCDRO C[NH+](C)C1(CNC(=O)NCc2cc(Cl)ccc2O)CCOCC1 ZINC000844973449 595421822 /nfs/dbraw/zinc/42/18/22/595421822.db2.gz IPRLARSHXOQJKY-UHFFFAOYSA-N 1 0 341.839 1.956 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)CO)cc2F)CC1 ZINC000847454934 595423157 /nfs/dbraw/zinc/42/31/57/595423157.db2.gz OVGDGNYESZZABB-UHFFFAOYSA-N 1 0 337.439 1.602 20 10 EDCDRO CC(C)(CO)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000847640487 595461376 /nfs/dbraw/zinc/46/13/76/595461376.db2.gz LDOQSKYKBZEOHW-UHFFFAOYSA-N 1 0 345.487 1.853 20 10 EDCDRO Nc1ccc(CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852795808 595547117 /nfs/dbraw/zinc/54/71/17/595547117.db2.gz LJGWHPLCPMWLII-HNNXBMFYSA-N 1 0 328.420 1.147 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)cc1 ZINC000852844366 595572038 /nfs/dbraw/zinc/57/20/38/595572038.db2.gz TUKRDFLGPSYYBR-GFCCVEGCSA-N 1 0 341.415 1.073 20 10 EDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC2(CCC2)C1 ZINC000852859293 595581031 /nfs/dbraw/zinc/58/10/31/595581031.db2.gz RASHNVOPIHSGBF-UHFFFAOYSA-N 1 0 329.444 1.801 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000852859060 595581150 /nfs/dbraw/zinc/58/11/50/595581150.db2.gz NKKPBUMXMWPZNO-UHFFFAOYSA-N 1 0 329.444 1.814 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C=C3CC[NH2+]CC3)CC2)cc1F ZINC000852872168 595591240 /nfs/dbraw/zinc/59/12/40/595591240.db2.gz IZLDXVSEUMKQFF-UHFFFAOYSA-N 1 0 333.407 1.793 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1 ZINC000860194821 595608739 /nfs/dbraw/zinc/60/87/39/595608739.db2.gz YGABQXFJTVRYOJ-MRXNPFEDSA-N 1 0 339.505 1.904 20 10 EDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000853122909 595672751 /nfs/dbraw/zinc/67/27/51/595672751.db2.gz VTRLUGXXXBNFLC-IBGZPJMESA-N 1 0 327.428 1.866 20 10 EDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1c(O)cccc1Br)C2 ZINC000858185614 595723266 /nfs/dbraw/zinc/72/32/66/595723266.db2.gz FUGPUWMGOPVPSW-VIFPVBQESA-N 1 0 337.221 1.930 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1 ZINC000858222516 595735113 /nfs/dbraw/zinc/73/51/13/595735113.db2.gz QZZSVABRDQXGPN-LJQANCHMSA-N 1 0 333.476 1.458 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNc3nc(N)[nH+]c(N)n3)cc2F)C[C@@H](C)O1 ZINC000858353956 595772201 /nfs/dbraw/zinc/77/22/01/595772201.db2.gz FHRIACKMYWOKOP-NXEZZACHSA-N 1 0 347.398 1.401 20 10 EDCDRO COc1cc(O)c(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1OC ZINC000853623657 595836656 /nfs/dbraw/zinc/83/66/56/595836656.db2.gz CQDYGDRGCKMJMQ-HNNXBMFYSA-N 1 0 338.448 1.952 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)C[NH2+]C[C@@H]3CCCO3)C2)cc1 ZINC000851639524 595864454 /nfs/dbraw/zinc/86/44/54/595864454.db2.gz HBFUKKYMUIDXDS-YOEHRIQHSA-N 1 0 333.432 1.159 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000851660977 595872867 /nfs/dbraw/zinc/87/28/67/595872867.db2.gz CBCDNFMNYYRWKV-LSDHHAIUSA-N 1 0 332.448 1.715 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCCC[NH2+]C3CC3)C2)cc1 ZINC000851662026 595873084 /nfs/dbraw/zinc/87/30/84/595873084.db2.gz RWVQHGREBCTVBW-HNNXBMFYSA-N 1 0 332.448 1.715 20 10 EDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000851664171 595874877 /nfs/dbraw/zinc/87/48/77/595874877.db2.gz SRHKZXOKXPAYKQ-HOCLYGCPSA-N 1 0 346.475 1.587 20 10 EDCDRO CCOC(=O)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000859230498 596011323 /nfs/dbraw/zinc/01/13/23/596011323.db2.gz ZRYRISIBGLCUEX-PBHICJAKSA-N 1 0 336.432 1.488 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000861679884 596065775 /nfs/dbraw/zinc/06/57/75/596065775.db2.gz CMGAKBHZUTVHLM-INIZCTEOSA-N 1 0 334.464 1.663 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000861767524 596095440 /nfs/dbraw/zinc/09/54/40/596095440.db2.gz QUXCDSSTADRNJV-XJKSGUPXSA-N 1 0 332.448 1.016 20 10 EDCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861766164 596095592 /nfs/dbraw/zinc/09/55/92/596095592.db2.gz CIRXLONJYUJDSW-RHSMWYFYSA-N 1 0 346.475 1.386 20 10 EDCDRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(Cl)cc1O ZINC000866520495 596238649 /nfs/dbraw/zinc/23/86/49/596238649.db2.gz BUBMQEBAKKOIFR-BMIGLBTASA-N 1 0 326.780 1.917 20 10 EDCDRO C[NH+](C)[C@@H]1CCN(CCn2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864625860 596288672 /nfs/dbraw/zinc/28/86/72/596288672.db2.gz YOGXBSYVWQKOKG-MRXNPFEDSA-N 1 0 330.436 1.075 20 10 EDCDRO CN(C)c1cc(F)c(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000862372865 596313910 /nfs/dbraw/zinc/31/39/10/596313910.db2.gz ACWVVKUUYOLXTQ-GFCCVEGCSA-N 1 0 347.431 1.497 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)c1 ZINC000866765520 596330091 /nfs/dbraw/zinc/33/00/91/596330091.db2.gz WUTCQEDOSCBZNN-GFCCVEGCSA-N 1 0 332.404 1.650 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868377889 596812507 /nfs/dbraw/zinc/81/25/07/596812507.db2.gz LBMDGIVXKHMTFS-GJZGRUSLSA-N 1 0 331.416 1.094 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2)C1 ZINC000873022627 597163185 /nfs/dbraw/zinc/16/31/85/597163185.db2.gz UNMDWVDEKAZBTF-HZPDHXFCSA-N 1 0 344.459 1.147 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873290904 597249495 /nfs/dbraw/zinc/24/94/95/597249495.db2.gz BRGZFEIVIIESOP-UKRRQHHQSA-N 1 0 348.443 1.988 20 10 EDCDRO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876621061 597264487 /nfs/dbraw/zinc/26/44/87/597264487.db2.gz UPPVZKRVTFRPJD-IRBQFCFKSA-N 1 0 349.456 1.040 20 10 EDCDRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876873023 597364173 /nfs/dbraw/zinc/36/41/73/597364173.db2.gz UHOMYAOFSVDJMD-FRFSOERESA-N 1 0 336.407 1.847 20 10 EDCDRO CC[C@H]1COCCN1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000875301241 597375467 /nfs/dbraw/zinc/37/54/67/597375467.db2.gz PMOKSAFPEUOGLH-KRWDZBQOSA-N 1 0 348.491 1.971 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)cc1 ZINC000876949923 597393907 /nfs/dbraw/zinc/39/39/07/597393907.db2.gz YPDRUGLEBCNCFF-FUHWJXTLSA-N 1 0 335.448 1.357 20 10 EDCDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877083692 597428291 /nfs/dbraw/zinc/42/82/91/597428291.db2.gz BMIANCNYAKJEAK-INIZCTEOSA-N 1 0 346.475 1.541 20 10 EDCDRO OCC[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877089813 597429617 /nfs/dbraw/zinc/42/96/17/597429617.db2.gz QEIDMYYQFIGKJO-LJQANCHMSA-N 1 0 334.460 1.526 20 10 EDCDRO COc1cccc(C[NH+]2CCN(CCc3cnccn3)CC2)c1O ZINC000877703733 597548930 /nfs/dbraw/zinc/54/89/30/597548930.db2.gz RNKSPCYESWZLEX-UHFFFAOYSA-N 1 0 328.416 1.551 20 10 EDCDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)ccc1N1CCCCC1 ZINC000877764427 597553591 /nfs/dbraw/zinc/55/35/91/597553591.db2.gz DTCNCGNMUVKWTJ-IYBDPMFKSA-N 1 0 349.431 1.618 20 10 EDCDRO CO[C@H](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289537 597701517 /nfs/dbraw/zinc/70/15/17/597701517.db2.gz RYGHPRQQVOQEIC-OAHLLOKOSA-N 1 0 334.464 1.663 20 10 EDCDRO COc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000881851737 597754535 /nfs/dbraw/zinc/75/45/35/597754535.db2.gz ZVCQADNMSGOKTE-UHFFFAOYSA-N 1 0 341.415 1.167 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3cncnc3)cc2)CC1 ZINC000881853228 597755047 /nfs/dbraw/zinc/75/50/47/597755047.db2.gz ODUQRWPEVVZKCW-UHFFFAOYSA-N 1 0 339.443 1.477 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccncn3)cc2)CC1 ZINC000881853629 597756121 /nfs/dbraw/zinc/75/61/21/597756121.db2.gz CWFVMCRZNBSTMJ-UHFFFAOYSA-N 1 0 339.443 1.477 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NOC/C=C/Cl)cc2)CC1 ZINC000883703524 597868611 /nfs/dbraw/zinc/86/86/11/597868611.db2.gz OPYVWYKOFPMGAY-FARCUNLSSA-N 1 0 338.839 1.922 20 10 EDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC000883760585 597891482 /nfs/dbraw/zinc/89/14/82/597891482.db2.gz DTBULUOAZHUNIT-GOEBONIOSA-N 1 0 332.448 1.415 20 10 EDCDRO CC(=O)c1cc(F)cc(Cn2cc(CN3CC[NH+](C)CC3)nn2)c1O ZINC000880995511 598048120 /nfs/dbraw/zinc/04/81/20/598048120.db2.gz ZDBZNKNIHSJWKC-UHFFFAOYSA-N 1 0 347.394 1.121 20 10 EDCDRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881093729 598073896 /nfs/dbraw/zinc/07/38/96/598073896.db2.gz GUJIKCVHCIQRFV-QGZVFWFLSA-N 1 0 330.436 1.316 20 10 EDCDRO NC(=O)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000153956003 696654546 /nfs/dbraw/zinc/65/45/46/696654546.db2.gz AMAQQGOOJNZKRZ-SFHVURJKSA-N 1 0 347.459 1.283 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C)CC2)c(OC)c1 ZINC000925430968 696780198 /nfs/dbraw/zinc/78/01/98/696780198.db2.gz QTBGTLZBVAJNMI-CQSZACIVSA-N 1 0 348.447 1.240 20 10 EDCDRO O=C(C[NH+]1C2CCC1CC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917041503 696881376 /nfs/dbraw/zinc/88/13/76/696881376.db2.gz ZOQLFSBBASTKPA-UHFFFAOYSA-N 1 0 347.434 1.905 20 10 EDCDRO C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CCCO ZINC000994499142 696936736 /nfs/dbraw/zinc/93/67/36/696936736.db2.gz WGTCFESZFZFSRP-WFASDCNBSA-N 1 0 347.419 1.814 20 10 EDCDRO C[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000997390717 703657963 /nfs/dbraw/zinc/65/79/63/703657963.db2.gz HBQONWAMJJQCDR-LLVKDONJSA-N 1 0 333.392 1.424 20 10 EDCDRO C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700326 708526167 /nfs/dbraw/zinc/52/61/67/708526167.db2.gz XLERXORZHBUFJD-BXUZGUMPSA-N 1 0 333.392 1.376 20 10 EDCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033698960 708546736 /nfs/dbraw/zinc/54/67/36/708546736.db2.gz GWIUOKMSDXCBPD-AWEZNQCLSA-N 1 0 333.392 1.378 20 10 EDCDRO COc1cccc(C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)c1O ZINC000922497908 711614420 /nfs/dbraw/zinc/61/44/20/711614420.db2.gz HNYRYBWKGABTQC-UHFFFAOYSA-N 1 0 333.388 1.708 20 10 EDCDRO C[C@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]C1 ZINC000237573628 249302557 /nfs/dbraw/zinc/30/25/57/249302557.db2.gz FBAAIQAUFOPNIH-SFHVURJKSA-N 1 0 335.423 1.668 20 10 EDCDRO CN1CCc2cc(C[NH2+]C[C@]3(N4CCOCC4)CCCOC3)ccc21 ZINC000378252231 250298798 /nfs/dbraw/zinc/29/87/98/250298798.db2.gz NVYPNIMGLNPVER-HXUWFJFHSA-N 1 0 345.487 1.650 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419701797 447359139 /nfs/dbraw/zinc/35/91/39/447359139.db2.gz AYKJVGDFPSDMDU-QWHCGFSZSA-N 1 0 342.443 1.312 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419715073 447368108 /nfs/dbraw/zinc/36/81/08/447368108.db2.gz YRUUTHTZYXKKLO-STQMWFEESA-N 1 0 342.443 1.312 20 10 EDCDRO NC(=O)c1cccnc1N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000378495527 447434390 /nfs/dbraw/zinc/43/43/90/447434390.db2.gz MQNHCCJEIODEIF-UHFFFAOYSA-N 1 0 326.400 1.598 20 10 EDCDRO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000109773197 441506663 /nfs/dbraw/zinc/50/66/63/441506663.db2.gz SDWJJOKVUSYHPO-UHFFFAOYSA-N 1 0 334.416 1.626 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158794287 441763040 /nfs/dbraw/zinc/76/30/40/441763040.db2.gz LYUFTEZIGGPIOD-QLPSFHHPSA-N 1 0 341.455 1.748 20 10 EDCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092067732 441767527 /nfs/dbraw/zinc/76/75/27/441767527.db2.gz ZLPRQVCKMHJBNC-KRWDZBQOSA-N 1 0 337.489 1.800 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CCCNS(C)(=O)=O)CC2)cc1 ZINC000121204299 442191431 /nfs/dbraw/zinc/19/14/31/442191431.db2.gz XABANBSGLBUPQN-UHFFFAOYSA-N 1 0 341.477 1.193 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3C)cc2F)CC1 ZINC000170945112 442292862 /nfs/dbraw/zinc/29/28/62/442292862.db2.gz FKELZWNWTPBOJK-UHFFFAOYSA-N 1 0 345.422 1.929 20 10 EDCDRO COC(=O)CN(CCN1CCOCC1)Cc1cccc(Cl)c1[O-] ZINC000180182197 442554064 /nfs/dbraw/zinc/55/40/64/442554064.db2.gz XMFOOJXRFVCCHT-UHFFFAOYSA-N 1 0 342.823 1.353 20 10 EDCDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(O)c1O ZINC000186963080 442636947 /nfs/dbraw/zinc/63/69/47/442636947.db2.gz MQDAQPPBTZWWFU-UHFFFAOYSA-N 1 0 327.384 1.887 20 10 EDCDRO CN1CCCc2cc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)ccc21 ZINC000188747399 442802287 /nfs/dbraw/zinc/80/22/87/442802287.db2.gz DHRQEKVJPBLXJV-UHFFFAOYSA-N 1 0 325.416 1.368 20 10 EDCDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc(O)c(O)c1 ZINC000182531770 442782619 /nfs/dbraw/zinc/78/26/19/442782619.db2.gz YPDFHCKNROKHKB-UHFFFAOYSA-N 1 0 334.416 1.749 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1cccnc1)cc2=O ZINC000182888738 442842239 /nfs/dbraw/zinc/84/22/39/442842239.db2.gz QMLVQJQWIZXGEE-LLVKDONJSA-N 1 0 341.371 1.857 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@@H]1CCCO1)cc2=O ZINC000263910745 443242268 /nfs/dbraw/zinc/24/22/68/443242268.db2.gz LYXNXQJDMWLPHS-LBPRGKRZSA-N 1 0 334.376 1.222 20 10 EDCDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000269260763 443256053 /nfs/dbraw/zinc/25/60/53/443256053.db2.gz VWYVHMPAJBIVCV-IRXDYDNUSA-N 1 0 331.460 1.639 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)C12CCC[NH+]1CCC2 ZINC000278509058 443350649 /nfs/dbraw/zinc/35/06/49/443350649.db2.gz AKPQETBMICSMOU-UHFFFAOYSA-N 1 0 347.434 1.907 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCOCC3)[C@@H]1O)OCO2 ZINC000282843849 443448436 /nfs/dbraw/zinc/44/84/36/443448436.db2.gz OZDUOVJQHWXDRV-YVEFUNNKSA-N 1 0 335.400 1.778 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)C(C)(C)O)CC2)cc1 ZINC000271649842 443508463 /nfs/dbraw/zinc/50/84/63/443508463.db2.gz RTINVYAGWZMZQL-UHFFFAOYSA-N 1 0 349.475 1.483 20 10 EDCDRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1c(O)cccc1Cl)CCO2 ZINC000272115123 443531127 /nfs/dbraw/zinc/53/11/27/443531127.db2.gz YMOVXSUZYIPTPZ-NHYWBVRUSA-N 1 0 345.848 1.872 20 10 EDCDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271201522 443495876 /nfs/dbraw/zinc/49/58/76/443495876.db2.gz XLKGBMBGBIWMRQ-UHFFFAOYSA-N 1 0 336.455 1.488 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1OC ZINC000273560033 443579643 /nfs/dbraw/zinc/57/96/43/443579643.db2.gz BPFKKMYZVSMKMM-ZDUSSCGKSA-N 1 0 335.404 1.445 20 10 EDCDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[NH2+]1 ZINC000279916887 443641728 /nfs/dbraw/zinc/64/17/28/443641728.db2.gz MMEQKHXRGXZBGB-ZFWWWQNUSA-N 1 0 335.423 1.667 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[NH+](CC)CC)cc1 ZINC000283650437 443682086 /nfs/dbraw/zinc/68/20/86/443682086.db2.gz CUJJALUJWSJYAJ-UHFFFAOYSA-N 1 0 348.491 1.607 20 10 EDCDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c(F)ccc(O)c1O ZINC000276559641 443746270 /nfs/dbraw/zinc/74/62/70/443746270.db2.gz IWNVYEOBOWJVTN-LLVKDONJSA-N 1 0 338.379 1.468 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280961940 443784402 /nfs/dbraw/zinc/78/44/02/443784402.db2.gz YZXGCABMUYDNFV-DNVCBOLYSA-N 1 0 347.434 1.668 20 10 EDCDRO C[N@H+](CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000284304590 443771734 /nfs/dbraw/zinc/77/17/34/443771734.db2.gz VHNKVJOOMATFTD-UHFFFAOYSA-N 1 0 344.459 1.113 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000298636844 443824625 /nfs/dbraw/zinc/82/46/25/443824625.db2.gz KKSBPBCTLHWOME-UHFFFAOYSA-N 1 0 347.459 1.683 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1F ZINC000293553843 444052972 /nfs/dbraw/zinc/05/29/72/444052972.db2.gz FFIUUSZWANJXIP-OAHLLOKOSA-N 1 0 333.411 1.813 20 10 EDCDRO C[C@H](C[NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000285762341 444099708 /nfs/dbraw/zinc/09/97/08/444099708.db2.gz KTOXUHXTDRYYDI-NEPJUHHUSA-N 1 0 327.375 1.968 20 10 EDCDRO CC[NH+](CC)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301706373 444186851 /nfs/dbraw/zinc/18/68/51/444186851.db2.gz VPHRLSXXICDSDT-LLVKDONJSA-N 1 0 334.376 1.846 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(C)nn3)cc2F)CC1 ZINC000289714049 444193922 /nfs/dbraw/zinc/19/39/22/444193922.db2.gz LLSZBARDISFVNV-UHFFFAOYSA-N 1 0 346.410 1.026 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296095449 444204423 /nfs/dbraw/zinc/20/44/23/444204423.db2.gz HQBKCXMSOONYMN-QXAKKESOSA-N 1 0 343.471 1.916 20 10 EDCDRO COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000364588744 445934272 /nfs/dbraw/zinc/93/42/72/445934272.db2.gz LTMAIKLRMVUWAA-NDMJEZRESA-N 1 0 335.360 1.395 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1OC ZINC000367593994 446564674 /nfs/dbraw/zinc/56/46/74/446564674.db2.gz NOOIUSPZIDRRMC-CQSZACIVSA-N 1 0 347.415 1.765 20 10 EDCDRO Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c(O)c1O ZINC000371663236 446945113 /nfs/dbraw/zinc/94/51/13/446945113.db2.gz CMFAFVKLVMCHSW-HIFRSBDPSA-N 1 0 334.416 1.637 20 10 EDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527956666 448398665 /nfs/dbraw/zinc/39/86/65/448398665.db2.gz QXYYDWIXTQSXAX-DNVCBOLYSA-N 1 0 334.460 1.967 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2COCCN2)c1O ZINC000530182093 449071078 /nfs/dbraw/zinc/07/10/78/449071078.db2.gz RDHLJPAIRJIRJL-NSHDSACASA-N 1 0 331.210 1.241 20 10 EDCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC000653142554 453331738 /nfs/dbraw/zinc/33/17/38/453331738.db2.gz OHJCXKRFYUGQPF-VQFNDLOPSA-N 1 0 327.428 1.852 20 10 EDCDRO CC[NH+](CC)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299297153 520579019 /nfs/dbraw/zinc/57/90/19/520579019.db2.gz RTLKZGWTLZMNFF-UHFFFAOYSA-N 1 0 337.439 1.745 20 10 EDCDRO C[C@@H](CO)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000298539350 524787863 /nfs/dbraw/zinc/78/78/63/524787863.db2.gz MXFYIHDKKNCATR-HNNXBMFYSA-N 1 0 333.476 1.994 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]CCCn2cncn2)c1O ZINC000725844945 578288478 /nfs/dbraw/zinc/28/84/78/578288478.db2.gz CPXRWTRHLOOKLV-UHFFFAOYSA-N 1 0 341.209 1.935 20 10 EDCDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000726243081 578337574 /nfs/dbraw/zinc/33/75/74/578337574.db2.gz FPYMJKOOLQFECP-CRAIPNDOSA-N 1 0 346.475 1.978 20 10 EDCDRO Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(O)c1O ZINC000727005558 578508520 /nfs/dbraw/zinc/50/85/20/578508520.db2.gz SMCXEDKQKAGPHH-UHFFFAOYSA-N 1 0 348.399 1.306 20 10 EDCDRO C[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1)C(=O)N(C)C ZINC000732205046 578697286 /nfs/dbraw/zinc/69/72/86/578697286.db2.gz YGRTUUXDNNEBNX-AWEZNQCLSA-N 1 0 347.459 1.730 20 10 EDCDRO CCCC[N@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000732834313 578732417 /nfs/dbraw/zinc/73/24/17/578732417.db2.gz JLYOYPVQRMFOSE-UHFFFAOYSA-N 1 0 343.449 1.225 20 10 EDCDRO Cn1cc(/C=C\C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cn1 ZINC000760818709 580038814 /nfs/dbraw/zinc/03/88/14/580038814.db2.gz QLCICAOGAAQUTL-WHLNPGIBSA-N 1 0 326.400 1.789 20 10 EDCDRO Fc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1N1CCOCC1 ZINC000777222057 580437592 /nfs/dbraw/zinc/43/75/92/580437592.db2.gz QGOYUOMWDLNDLS-HNNXBMFYSA-N 1 0 331.395 1.701 20 10 EDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768445836 580213134 /nfs/dbraw/zinc/21/31/34/580213134.db2.gz IMQARHWQLVRKQR-MRXNPFEDSA-N 1 0 338.473 1.785 20 10 EDCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC000768447930 580213315 /nfs/dbraw/zinc/21/33/15/580213315.db2.gz RSBYIQQGHMFTKW-HIFRSBDPSA-N 1 0 333.384 1.593 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000768463326 580213912 /nfs/dbraw/zinc/21/39/12/580213912.db2.gz GSPURSNZZIQZQM-CYBMUJFWSA-N 1 0 328.434 1.223 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)[C@H](O)CO2 ZINC000768463670 580213954 /nfs/dbraw/zinc/21/39/54/580213954.db2.gz VOPMXFJWEWZVAP-BLLLJJGKSA-N 1 0 330.388 1.322 20 10 EDCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)cn1 ZINC000768465345 580214053 /nfs/dbraw/zinc/21/40/53/580214053.db2.gz HARUVFMKMSTMAW-SJKOYZFVSA-N 1 0 329.400 1.616 20 10 EDCDRO CN1C(=O)C2(CCCC2)N[C@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771517749 580288286 /nfs/dbraw/zinc/28/82/86/580288286.db2.gz JERBMKWHAZLEJR-QGZVFWFLSA-N 1 0 328.460 1.811 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000771978170 580299978 /nfs/dbraw/zinc/29/99/78/580299978.db2.gz JTGBBBGWWJDNRX-GOSISDBHSA-N 1 0 331.391 1.881 20 10 EDCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000775362514 580389325 /nfs/dbraw/zinc/38/93/25/580389325.db2.gz VLVIYGMKTNHGBH-UHFFFAOYSA-N 1 0 329.400 1.922 20 10 EDCDRO COc1ccc(O)c(C[NH2+]CCN2C(=O)c3ccccc3C2=O)c1 ZINC000776073730 580407505 /nfs/dbraw/zinc/40/75/05/580407505.db2.gz SBLXTQIZAHVEQG-UHFFFAOYSA-N 1 0 326.352 1.787 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000779217443 580481323 /nfs/dbraw/zinc/48/13/23/580481323.db2.gz HLCAQVYSESIQLL-MJGOQNOKSA-N 1 0 347.503 1.910 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000779474697 580486565 /nfs/dbraw/zinc/48/65/65/580486565.db2.gz DMFIFUSMKRUFOT-DUXPYHPUSA-N 1 0 325.368 1.855 20 10 EDCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1CC(C)(C)O ZINC000780504591 580524980 /nfs/dbraw/zinc/52/49/80/580524980.db2.gz UBJPDRRDNZLNBV-MLGOLLRUSA-N 1 0 336.432 1.095 20 10 EDCDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000781429159 580549374 /nfs/dbraw/zinc/54/93/74/580549374.db2.gz YHMPVOSBXWXXEK-UKRRQHHQSA-N 1 0 326.412 1.974 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CC(=O)N(CC4CC4)C3)cc2)CC1 ZINC000789775235 580753394 /nfs/dbraw/zinc/75/33/94/580753394.db2.gz JBEFVCUABCLSRN-UHFFFAOYSA-N 1 0 328.460 1.450 20 10 EDCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)S1=O ZINC000792192497 580813012 /nfs/dbraw/zinc/81/30/12/580813012.db2.gz OOEBBRGHXUBGQW-HZPDHXFCSA-N 1 0 335.517 1.780 20 10 EDCDRO COCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000798504660 580999363 /nfs/dbraw/zinc/99/93/63/580999363.db2.gz CWBGPCJEGSNMGI-NSHDSACASA-N 1 0 334.210 1.650 20 10 EDCDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000800239316 581048574 /nfs/dbraw/zinc/04/85/74/581048574.db2.gz GTHOIZNGFDIZPO-OAHLLOKOSA-N 1 0 340.489 1.825 20 10 EDCDRO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1O ZINC000806169885 590739949 /nfs/dbraw/zinc/73/99/49/590739949.db2.gz LNNRNNCNPWGABI-UKRRQHHQSA-N 1 0 341.477 1.704 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn[nH]c(=O)c2)[NH+](C)C)cc1 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EDCDRO CSCCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894541251 591337675 /nfs/dbraw/zinc/33/76/75/591337675.db2.gz WAMVTZSYQCCMKT-HNNXBMFYSA-N 1 0 340.493 1.949 20 10 EDCDRO CO[C@H](C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCOC1 ZINC000898449689 591352857 /nfs/dbraw/zinc/35/28/57/591352857.db2.gz JETNFOVJEHQDNK-YTQUADARSA-N 1 0 335.492 1.996 20 10 EDCDRO CNC(=O)[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000895034013 591530278 /nfs/dbraw/zinc/53/02/78/591530278.db2.gz OKJIRVYMPJWFRL-NSHDSACASA-N 1 0 347.390 1.672 20 10 EDCDRO C[C@H](CCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101818 591682456 /nfs/dbraw/zinc/68/24/56/591682456.db2.gz MOJSLTHGMVMVBF-PBHICJAKSA-N 1 0 336.480 1.673 20 10 EDCDRO CCC[C@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102195 591682935 /nfs/dbraw/zinc/68/29/35/591682935.db2.gz NWLOISIHPUWJJS-DLBZAZTESA-N 1 0 336.480 1.816 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2CO)[NH+](C)C)cc1 ZINC000899098228 591688182 /nfs/dbraw/zinc/68/81/82/591688182.db2.gz MTHMCWUHNYCGMI-NXHRZFHOSA-N 1 0 348.491 1.816 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC3(COC3)C2)[NH+](C)C)cc1 ZINC000899099194 591689257 /nfs/dbraw/zinc/68/92/57/591689257.db2.gz WSICBBTYODZIHZ-QGZVFWFLSA-N 1 0 346.475 1.787 20 10 EDCDRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000897057690 591726607 /nfs/dbraw/zinc/72/66/07/591726607.db2.gz HKBPKTFPRNLCTQ-MRXNPFEDSA-N 1 0 337.489 1.787 20 10 EDCDRO C[NH+](C)C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H]1C[NH+](C)C ZINC000895419661 591755334 /nfs/dbraw/zinc/75/53/34/591755334.db2.gz WLECFIVMWRPCPR-ZIAGYGMSSA-N 1 0 327.419 1.842 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898152548 591804213 /nfs/dbraw/zinc/80/42/13/591804213.db2.gz KMHSTTBFMLEPCP-NWDGAFQWSA-N 1 0 330.388 1.826 20 10 EDCDRO COC(=O)/C=C\c1ccc(N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000900387582 591997875 /nfs/dbraw/zinc/99/78/75/591997875.db2.gz XIUUCIJTVGIGIH-XEKFUKFUSA-N 1 0 331.372 1.827 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900895507 592160076 /nfs/dbraw/zinc/16/00/76/592160076.db2.gz QDTUUJUVLVAHRT-UHFFFAOYSA-N 1 0 345.443 1.589 20 10 EDCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCO[C@@]23CCOC3)N(C)C)cc1 ZINC000903448576 592173206 /nfs/dbraw/zinc/17/32/06/592173206.db2.gz PZVWFLWZPRWILP-GBESFXJTSA-N 1 0 333.476 1.893 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903857518 592347906 /nfs/dbraw/zinc/34/79/06/592347906.db2.gz VETWMJGVHVMOCW-LPHOPBHVSA-N 1 0 330.476 1.524 20 10 EDCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)Cn2cccn2)N(C)C)cc1 ZINC000905705154 592617771 /nfs/dbraw/zinc/61/77/71/592617771.db2.gz QLTGCVYNLYPEKC-ZWKOTPCHSA-N 1 0 331.464 1.203 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911125000 592929973 /nfs/dbraw/zinc/92/99/73/592929973.db2.gz OGSZEDNJFFCSKK-GDBMZVCRSA-N 1 0 346.475 1.121 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911541916 592948392 /nfs/dbraw/zinc/94/83/92/592948392.db2.gz KRMRAALUIOJIAA-RRFJBIMHSA-N 1 0 331.416 1.140 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1 ZINC000911666391 592973881 /nfs/dbraw/zinc/97/38/81/592973881.db2.gz IIODQXVVVKQZQZ-OAGGEKHMSA-N 1 0 327.432 1.406 20 10 EDCDRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807099137 593144529 /nfs/dbraw/zinc/14/45/29/593144529.db2.gz LBFSVXRCNZVKMH-UHFFFAOYSA-N 1 0 348.491 1.525 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000807577396 593182629 /nfs/dbraw/zinc/18/26/29/593182629.db2.gz QCMMYBUVSNZRFC-HNNXBMFYSA-N 1 0 334.464 1.867 20 10 EDCDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807674807 593189531 /nfs/dbraw/zinc/18/95/31/593189531.db2.gz RBNXIEKWWXLSBF-HUUCEWRRSA-N 1 0 348.491 1.776 20 10 EDCDRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807777607 593198877 /nfs/dbraw/zinc/19/88/77/593198877.db2.gz RPSWKVAJSQDIES-OAHLLOKOSA-N 1 0 348.491 1.778 20 10 EDCDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000808221335 593242205 /nfs/dbraw/zinc/24/22/05/593242205.db2.gz FOTWHYMNCADSTO-INIZCTEOSA-N 1 0 342.443 1.676 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)C[NH+](C)C)cc2=O ZINC000839094088 593260785 /nfs/dbraw/zinc/26/07/85/593260785.db2.gz PYSAKDCDJCNVET-UHFFFAOYSA-N 1 0 335.408 1.041 20 10 EDCDRO Cc1noc(C2CN(Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000839131155 593267557 /nfs/dbraw/zinc/26/75/57/593267557.db2.gz ODCIVQQFYZDFBG-UHFFFAOYSA-N 1 0 332.379 1.953 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000809689112 593355431 /nfs/dbraw/zinc/35/54/31/593355431.db2.gz UIZXJNYRFPEEBT-HNNXBMFYSA-N 1 0 342.461 1.647 20 10 EDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000804221088 593397904 /nfs/dbraw/zinc/39/79/04/593397904.db2.gz QAXADCFSMGCRER-GJZGRUSLSA-N 1 0 348.491 1.776 20 10 EDCDRO CCN(C)c1ccc(C[NH+]2CCC(NS(=O)(=O)NC)CC2)cc1 ZINC000815108161 593615671 /nfs/dbraw/zinc/61/56/71/593615671.db2.gz GWIIWLSVNIESNS-UHFFFAOYSA-N 1 0 340.493 1.161 20 10 EDCDRO C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000817888735 593645547 /nfs/dbraw/zinc/64/55/47/593645547.db2.gz JSWIUQUBVCZQLG-QILLFSRXSA-N 1 0 330.476 1.618 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000817921619 593648958 /nfs/dbraw/zinc/64/89/58/593648958.db2.gz DPVMZBSKCVLXDI-INIZCTEOSA-N 1 0 346.475 1.298 20 10 EDCDRO CC[NH2+]CCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818653667 593710365 /nfs/dbraw/zinc/71/03/65/593710365.db2.gz QKHJRZPKROOOJE-OAHLLOKOSA-N 1 0 334.464 1.820 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000818654639 593710465 /nfs/dbraw/zinc/71/04/65/593710465.db2.gz DFQQHONXMVFGMJ-JKSUJKDBSA-N 1 0 346.475 1.820 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000818655684 593710547 /nfs/dbraw/zinc/71/05/47/593710547.db2.gz NHCHXJUPWMVOCQ-CXAGYDPISA-N 1 0 332.448 1.558 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000818655841 593710587 /nfs/dbraw/zinc/71/05/87/593710587.db2.gz NWOVPLAAHKGHKL-HOTGVXAUSA-N 1 0 346.475 1.963 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000818656775 593710723 /nfs/dbraw/zinc/71/07/23/593710723.db2.gz YMYAKWAHPWASQG-KKBVYLPWSA-N 1 0 330.432 1.039 20 10 EDCDRO O[C@H](C[NH2+]CCCSc1nccs1)COC1CCOCC1 ZINC000819064443 593737039 /nfs/dbraw/zinc/73/70/39/593737039.db2.gz XZQZBVPLKYTWOJ-GFCCVEGCSA-N 1 0 332.491 1.771 20 10 EDCDRO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824451208 594015043 /nfs/dbraw/zinc/01/50/43/594015043.db2.gz ORTXLHONWHPEAC-KRWDZBQOSA-N 1 0 345.443 1.797 20 10 EDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC12COC2 ZINC000824489226 594024037 /nfs/dbraw/zinc/02/40/37/594024037.db2.gz HBEABUPIUNVXFF-AWEZNQCLSA-N 1 0 336.407 1.903 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1OC ZINC000824654372 594051204 /nfs/dbraw/zinc/05/12/04/594051204.db2.gz NPCJFGAWTIIPLM-NWANDNLSSA-N 1 0 337.416 1.771 20 10 EDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1F ZINC000824896812 594092976 /nfs/dbraw/zinc/09/29/76/594092976.db2.gz CKJNDULPCGOMSR-UHFFFAOYSA-N 1 0 344.452 1.575 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H]1CN(C)CCO1 ZINC000825357797 594172641 /nfs/dbraw/zinc/17/26/41/594172641.db2.gz KFGVTWXRYWTIKH-HZMBPMFUSA-N 1 0 329.238 1.963 20 10 EDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000829159077 594575377 /nfs/dbraw/zinc/57/53/77/594575377.db2.gz KLPXWCYHLKSQEA-VQIMIIECSA-N 1 0 334.460 1.477 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC34CC[NH2+]CC4)C2)cc1 ZINC000831193580 594578552 /nfs/dbraw/zinc/57/85/52/594578552.db2.gz NJOWHZWPBKYRKA-RHSMWYFYSA-N 1 0 344.459 1.715 20 10 EDCDRO Cn1ccc(=O)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000829297288 594594398 /nfs/dbraw/zinc/59/43/98/594594398.db2.gz ZVJKWJVVKPPPIE-UHFFFAOYSA-N 1 0 340.427 1.067 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000826967228 594613075 /nfs/dbraw/zinc/61/30/75/594613075.db2.gz IJWPSDUXSWHGRF-CMPLNLGQSA-N 1 0 330.178 1.575 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000829504617 594627870 /nfs/dbraw/zinc/62/78/70/594627870.db2.gz GPXASGZSVAQANL-INIZCTEOSA-N 1 0 346.475 1.076 20 10 EDCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000827259866 594657060 /nfs/dbraw/zinc/65/70/60/594657060.db2.gz MBOFZOHFZMMTII-UHFFFAOYSA-N 1 0 345.365 1.768 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CSCCS2)cc1 ZINC000832265884 594738972 /nfs/dbraw/zinc/73/89/72/594738972.db2.gz AXKFAOSQITVUAI-KGLIPLIRSA-N 1 0 325.503 1.717 20 10 EDCDRO CNC(=O)c1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832272656 594739543 /nfs/dbraw/zinc/73/95/43/594739543.db2.gz IDSBENVNFIDQRS-KRWDZBQOSA-N 1 0 340.427 1.542 20 10 EDCDRO CC(C)[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832279626 594739909 /nfs/dbraw/zinc/73/99/09/594739909.db2.gz KYOTZQKCOOHKGO-SJLPKXTDSA-N 1 0 346.475 1.516 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnn(C)c2C2CC2)cc1 ZINC000832282026 594740076 /nfs/dbraw/zinc/74/00/76/594740076.db2.gz XLKWNMRGUIUMIS-INIZCTEOSA-N 1 0 327.432 1.793 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000832293654 594740787 /nfs/dbraw/zinc/74/07/87/594740787.db2.gz ZRCQCKHITKXNSY-FUHWJXTLSA-N 1 0 325.412 1.872 20 10 EDCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000840747289 594814143 /nfs/dbraw/zinc/81/41/43/594814143.db2.gz NIOFSEVPIIXLPS-AWEZNQCLSA-N 1 0 345.422 1.413 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCCn2cc(C(N)=O)nn2)cc1 ZINC000840978790 594834915 /nfs/dbraw/zinc/83/49/15/594834915.db2.gz WABFJAKAJZWJHE-WAYWQWQTSA-N 1 0 342.447 1.526 20 10 EDCDRO COc1cc(Br)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000841027174 594841505 /nfs/dbraw/zinc/84/15/05/594841505.db2.gz YMVUTKFARAQOIF-SKDRFNHKSA-N 1 0 327.222 1.957 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000841757805 594947891 /nfs/dbraw/zinc/94/78/91/594947891.db2.gz ATVCHJCIIOZWBD-CXAGYDPISA-N 1 0 332.448 1.327 20 10 EDCDRO O=C(NCCCN1CC[NH2+]CC1)NCc1ccc(N2CC=CC2)cc1 ZINC000841833091 594959726 /nfs/dbraw/zinc/95/97/26/594959726.db2.gz ZMGFBPZXBZCFMS-UHFFFAOYSA-N 1 0 343.475 1.157 20 10 EDCDRO C[C@H]1C[N@H+](CCCNC(=O)NCCc2ccc(N)cc2)CCCO1 ZINC000841885502 594973829 /nfs/dbraw/zinc/97/38/29/594973829.db2.gz BTXALMLWLIQTCS-HNNXBMFYSA-N 1 0 334.464 1.611 20 10 EDCDRO O=C(NCc1cccc(Br)c1O)NCC1CC[NH2+]CC1 ZINC000841923989 594982456 /nfs/dbraw/zinc/98/24/56/594982456.db2.gz KKXIPJFLXWPMOX-UHFFFAOYSA-N 1 0 342.237 1.954 20 10 EDCDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000841947407 594987613 /nfs/dbraw/zinc/98/76/13/594987613.db2.gz OQBBINHUZMXMIB-HZPDHXFCSA-N 1 0 333.432 1.820 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000841967215 594991436 /nfs/dbraw/zinc/99/14/36/594991436.db2.gz POJACZZQCYXNOL-UHFFFAOYSA-N 1 0 332.448 1.798 20 10 EDCDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841987125 594996010 /nfs/dbraw/zinc/99/60/10/594996010.db2.gz GGGRBHDOJPRLFK-YJBOKZPZSA-N 1 0 346.475 1.663 20 10 EDCDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000841988880 594996234 /nfs/dbraw/zinc/99/62/34/594996234.db2.gz NMAIREVCDBHZMI-CABZTGNLSA-N 1 0 342.237 1.952 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000842202230 595036148 /nfs/dbraw/zinc/03/61/48/595036148.db2.gz GBMFXHWDDVCFKI-IHRRRGAJSA-N 1 0 332.448 1.126 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842201783 595036679 /nfs/dbraw/zinc/03/66/79/595036679.db2.gz CBTYMXZRWHENLR-NWANDNLSSA-N 1 0 332.448 1.316 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000842206440 595038992 /nfs/dbraw/zinc/03/89/92/595038992.db2.gz GKPOYKRWRKUZTO-GOEBONIOSA-N 1 0 346.475 1.345 20 10 EDCDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842211919 595040682 /nfs/dbraw/zinc/04/06/82/595040682.db2.gz BDDSIQORVMXYAC-HZPDHXFCSA-N 1 0 344.459 1.289 20 10 EDCDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215828 595041899 /nfs/dbraw/zinc/04/18/99/595041899.db2.gz WRXIORVPPIUFPV-UHFFFAOYSA-N 1 0 346.475 1.346 20 10 EDCDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238549 595050199 /nfs/dbraw/zinc/05/01/99/595050199.db2.gz SMMXFSMSRXQLOD-QGZVFWFLSA-N 1 0 346.475 1.260 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000846172414 595164275 /nfs/dbraw/zinc/16/42/75/595164275.db2.gz MFELBAFNDAYAQZ-RHSMWYFYSA-N 1 0 334.464 1.771 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000846173861 595164784 /nfs/dbraw/zinc/16/47/84/595164784.db2.gz UQDFRYSBYQGHGA-WMLDXEAASA-N 1 0 334.464 1.771 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000846707037 595305104 /nfs/dbraw/zinc/30/51/04/595305104.db2.gz CJBUHZOEQKVQQQ-JKSUJKDBSA-N 1 0 346.475 1.155 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)CC2CCS(=O)(=O)CC2)cc1 ZINC000844400500 595337325 /nfs/dbraw/zinc/33/73/25/595337325.db2.gz CSXXQAXOWXLGBF-UHFFFAOYSA-N 1 0 340.489 1.888 20 10 EDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C1CC1 ZINC000844765870 595392933 /nfs/dbraw/zinc/39/29/33/595392933.db2.gz URVZOODAPABSAC-LZWOXQAQSA-N 1 0 333.384 1.449 20 10 EDCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000848535598 595403480 /nfs/dbraw/zinc/40/34/80/595403480.db2.gz DWTUPGALMXHCLH-XPTSAGLGSA-N 1 0 346.221 1.965 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)c1 ZINC000847588776 595453249 /nfs/dbraw/zinc/45/32/49/595453249.db2.gz BDWRAKQEIBGOEL-LBPRGKRZSA-N 1 0 332.404 1.650 20 10 EDCDRO CCc1cccc(C[NH+]2CCN(CC(=O)N[C@H](C)CC)CC2)c1O ZINC000848882045 595462637 /nfs/dbraw/zinc/46/26/37/595462637.db2.gz XJUJSPWUWNEUEI-OAHLLOKOSA-N 1 0 333.476 1.987 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000852775928 595538425 /nfs/dbraw/zinc/53/84/25/595538425.db2.gz GFWXBYQUCKPKKA-UHFFFAOYSA-N 1 0 330.436 1.355 20 10 EDCDRO COC(=O)N1CCC(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000852791956 595545045 /nfs/dbraw/zinc/54/50/45/595545045.db2.gz ODIQVZAAMATCES-INIZCTEOSA-N 1 0 348.447 1.347 20 10 EDCDRO CC[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC[NH2+]1 ZINC000852916873 595613594 /nfs/dbraw/zinc/61/35/94/595613594.db2.gz RXWQOWJMNZMFPN-IBGZPJMESA-N 1 0 331.460 1.796 20 10 EDCDRO O=C1N=C(N2CCOCC2)S/C1=C/c1ccnn1-c1cc[nH+]cc1 ZINC000853002842 595638583 /nfs/dbraw/zinc/63/85/83/595638583.db2.gz WZPXFMWIRFHISO-SDNWHVSQSA-N 1 0 341.396 1.570 20 10 EDCDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1=CC(=O)CS1 ZINC000855404501 595695842 /nfs/dbraw/zinc/69/58/42/595695842.db2.gz WAXXGJWMMDDKIX-CQSZACIVSA-N 1 0 332.425 1.950 20 10 EDCDRO C[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccccc1O ZINC000111235187 595731035 /nfs/dbraw/zinc/73/10/35/595731035.db2.gz MNJFLTRJILOOCM-UHFFFAOYSA-N 1 0 335.448 1.051 20 10 EDCDRO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000109771242 595733996 /nfs/dbraw/zinc/73/39/96/595733996.db2.gz WBNUPNIAZMMXCN-LBPRGKRZSA-N 1 0 327.384 1.950 20 10 EDCDRO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc2ccccc2c1O ZINC000858569481 595831784 /nfs/dbraw/zinc/83/17/84/595831784.db2.gz IKWMZMYAFAWUKS-LBPRGKRZSA-N 1 0 349.456 1.687 20 10 EDCDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000858601661 595839390 /nfs/dbraw/zinc/83/93/90/595839390.db2.gz ICEXEZMLTBJDAR-PWSUYJOCSA-N 1 0 329.238 1.872 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCC[NH2+]C1 ZINC000851662548 595873766 /nfs/dbraw/zinc/87/37/66/595873766.db2.gz DYNXXGJTFDPDAU-HNNXBMFYSA-N 1 0 332.448 1.199 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CC[NH2+]CC3)C2)cc1 ZINC000851662840 595873909 /nfs/dbraw/zinc/87/39/09/595873909.db2.gz LNRFBMVPPWGICA-HNNXBMFYSA-N 1 0 346.475 1.963 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+]3CC=CCC3)C2)cc1 ZINC000854298279 596025975 /nfs/dbraw/zinc/02/59/75/596025975.db2.gz ZLTOKHHMIAVZNS-MRXNPFEDSA-N 1 0 344.459 1.835 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000852180155 596072046 /nfs/dbraw/zinc/07/20/46/596072046.db2.gz IGPKTEBYOJBRSG-OAHLLOKOSA-N 1 0 332.448 1.667 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861765898 596094988 /nfs/dbraw/zinc/09/49/88/596094988.db2.gz ANDHXZYXNIOAAJ-UHOFOFEASA-N 1 0 332.448 1.187 20 10 EDCDRO O=C(c1c(F)ccc(O)c1O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000857224062 596190307 /nfs/dbraw/zinc/19/03/07/596190307.db2.gz ZOCHSSWCEILQJZ-LBPRGKRZSA-N 1 0 338.379 1.564 20 10 EDCDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1 ZINC000857340562 596216266 /nfs/dbraw/zinc/21/62/66/596216266.db2.gz YUDKTJJUNUQYRV-LLVKDONJSA-N 1 0 326.368 1.420 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000862535979 596341935 /nfs/dbraw/zinc/34/19/35/596341935.db2.gz BKFSKJIZHVZXFV-GOSISDBHSA-N 1 0 343.427 1.786 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)c1O ZINC000862552027 596344680 /nfs/dbraw/zinc/34/46/80/596344680.db2.gz RKGZTCCQQWIXGK-CYBMUJFWSA-N 1 0 342.461 1.552 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1O ZINC000863300121 596543954 /nfs/dbraw/zinc/54/39/54/596543954.db2.gz FIRJMAOPOHCNSP-UHFFFAOYSA-N 1 0 345.403 1.237 20 10 EDCDRO NC(=O)c1cn(C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)nn1 ZINC000863301297 596543992 /nfs/dbraw/zinc/54/39/92/596543992.db2.gz VJJBNHZOVAAEOA-UHFFFAOYSA-N 1 0 341.415 1.408 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)C[C@](C)(O)C3CC3)CC2)cc1 ZINC000863968792 596737720 /nfs/dbraw/zinc/73/77/20/596737720.db2.gz OFNYPIBHHPDMFY-MJGOQNOKSA-N 1 0 334.460 1.729 20 10 EDCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1O ZINC000866497473 596893559 /nfs/dbraw/zinc/89/35/59/596893559.db2.gz MNUFBLSMUIZACC-GGZOMVNGSA-N 1 0 346.221 1.964 20 10 EDCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873130467 597206722 /nfs/dbraw/zinc/20/67/22/597206722.db2.gz DPJCSBHRKUJOST-IRXDYDNUSA-N 1 0 333.432 1.552 20 10 EDCDRO COc1cnn(C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000876501781 597223327 /nfs/dbraw/zinc/22/33/27/597223327.db2.gz QYAGCRUGPIQVIT-INIZCTEOSA-N 1 0 346.431 1.083 20 10 EDCDRO COCCCn1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000876507302 597224435 /nfs/dbraw/zinc/22/44/35/597224435.db2.gz ZYMHJYFBCXYHAC-KRWDZBQOSA-N 1 0 345.447 1.415 20 10 EDCDRO COC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC[NH2+]1 ZINC000876959869 597397362 /nfs/dbraw/zinc/39/73/62/597397362.db2.gz QGYWFNMJZQJUML-HNAYVOBHSA-N 1 0 347.459 1.549 20 10 EDCDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877015971 597412115 /nfs/dbraw/zinc/41/21/15/597412115.db2.gz HKBBIHPBMNCFKD-UHFFFAOYSA-N 1 0 326.462 1.172 20 10 EDCDRO C[C@@H]1C[N@H+](CCCNC(=O)N2Cc3cccc(O)c3C2)CCCO1 ZINC000875533810 597467128 /nfs/dbraw/zinc/46/71/28/597467128.db2.gz FMBIURPHOQBSMK-CQSZACIVSA-N 1 0 333.432 1.918 20 10 EDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1OC ZINC000877351299 597498344 /nfs/dbraw/zinc/49/83/44/597498344.db2.gz KTBRBWVFIRKYTF-QRVBRYPASA-N 1 0 334.460 1.930 20 10 EDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)nn1 ZINC000877366310 597502159 /nfs/dbraw/zinc/50/21/59/597502159.db2.gz VFWZFLYYEDXITI-CYBMUJFWSA-N 1 0 330.388 1.916 20 10 EDCDRO Cc1ccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c(O)c1 ZINC000877460650 597518846 /nfs/dbraw/zinc/51/88/46/597518846.db2.gz RWTWHCZLMNVATG-UHFFFAOYSA-N 1 0 338.473 1.395 20 10 EDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(O)c1 ZINC000877517765 597529295 /nfs/dbraw/zinc/52/92/95/597529295.db2.gz PGWFJJRUCRHXPB-UKRRQHHQSA-N 1 0 326.462 1.898 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000877722846 597551351 /nfs/dbraw/zinc/55/13/51/597551351.db2.gz MPRRPHKEBQVCJF-MEBBXXQBSA-N 1 0 328.359 1.699 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccncc3)cc2)CC1 ZINC000883034633 597626650 /nfs/dbraw/zinc/62/66/50/597626650.db2.gz AFFGGZLOCCHBBP-UHFFFAOYSA-N 1 0 339.443 1.833 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000879647393 597673847 /nfs/dbraw/zinc/67/38/47/597673847.db2.gz BPMBYEPJLITKPY-FRRDWIJNSA-N 1 0 340.445 1.077 20 10 EDCDRO O=C(C[NH+]1CCCC1)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000131157959 597675984 /nfs/dbraw/zinc/67/59/84/597675984.db2.gz NUFRDFGEFPZIIW-UHFFFAOYSA-N 1 0 337.851 1.786 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCCO3)cc2)CC1 ZINC000883203247 597684622 /nfs/dbraw/zinc/68/46/22/597684622.db2.gz XFTBMKVKZONXNQ-SFHVURJKSA-N 1 0 346.475 1.807 20 10 EDCDRO CN(CC[NH2+]Cc1c(O)cccc1Br)CCOCCO ZINC000883348002 597721290 /nfs/dbraw/zinc/72/12/90/597721290.db2.gz FICSKNROHVLQEC-UHFFFAOYSA-N 1 0 347.253 1.185 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cocn3)cc2)CC1 ZINC000883350810 597722853 /nfs/dbraw/zinc/72/28/53/597722853.db2.gz PVNCSUMIOUJCPP-UHFFFAOYSA-N 1 0 329.404 1.426 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccnn3C(F)F)cc2)CC1 ZINC000881855507 597757488 /nfs/dbraw/zinc/75/74/88/597757488.db2.gz YAHYHLATCCHZTP-UHFFFAOYSA-N 1 0 349.385 1.960 20 10 EDCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000883580059 597810895 /nfs/dbraw/zinc/81/08/95/597810895.db2.gz SHJRZYRRYUTUAZ-DOTOQJQBSA-N 1 0 346.475 1.805 20 10 EDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000883716829 597874252 /nfs/dbraw/zinc/87/42/52/597874252.db2.gz SWHRWKCCMGJOFH-HOCLYGCPSA-N 1 0 332.448 1.667 20 10 EDCDRO Cc1cc(C(=O)Cn2cc([C@@H]([NH3+])CO)nn2)c(C)n1-c1ccccc1 ZINC000880981710 598045068 /nfs/dbraw/zinc/04/50/68/598045068.db2.gz BBVFESPWQMGLDL-INIZCTEOSA-N 1 0 339.399 1.561 20 10 EDCDRO NC(=O)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000130084125 598053719 /nfs/dbraw/zinc/05/37/19/598053719.db2.gz WFIXJCIGPQZRMC-UHFFFAOYSA-N 1 0 335.423 1.892 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)cc1 ZINC001032214881 704038596 /nfs/dbraw/zinc/03/85/96/704038596.db2.gz AAMJYLIICDUKKO-GFCCVEGCSA-N 1 0 345.403 1.547 20 10 EDCDRO C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034548626 710223223 /nfs/dbraw/zinc/22/32/23/710223223.db2.gz QFLSWNUPDGNMKU-IUODEOHRSA-N 1 0 347.419 1.814 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000922407338 711492843 /nfs/dbraw/zinc/49/28/43/711492843.db2.gz VOBGWVKDOXRWNK-VQIMIIECSA-N 1 0 341.459 1.938 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000175553097 529781590 /nfs/dbraw/zinc/78/15/90/529781590.db2.gz JDDGKNLJYPYEFZ-UHFFFAOYSA-N 1 0 347.507 1.578 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000285377528 282290236 /nfs/dbraw/zinc/29/02/36/282290236.db2.gz COEDNBPBKTUROD-WBVHZDCISA-N 1 0 339.505 1.950 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664460 237023402 /nfs/dbraw/zinc/02/34/02/237023402.db2.gz GNZSCFJUNLQHSK-LJQANCHMSA-N 1 0 345.487 1.677 20 10 EDCDRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cc2ccc(N)cc2)C[C@@H](C)O1 ZINC000246199595 249306554 /nfs/dbraw/zinc/30/65/54/249306554.db2.gz DVPTYNRUNDHKPG-IIDMSEBBSA-N 1 0 331.460 1.912 20 10 EDCDRO COC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000376123808 250285219 /nfs/dbraw/zinc/28/52/19/250285219.db2.gz WIHURWVXOKGLKA-FZMZJTMJSA-N 1 0 343.374 1.347 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000419701073 447359007 /nfs/dbraw/zinc/35/90/07/447359007.db2.gz AHHZXLRNUHNNGG-DZGCQCFKSA-N 1 0 342.443 1.360 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419707462 447363312 /nfs/dbraw/zinc/36/33/12/447363312.db2.gz LWMHUGWMWWBHQP-DOMZBBRYSA-N 1 0 342.443 1.217 20 10 EDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000073821997 441358747 /nfs/dbraw/zinc/35/87/47/441358747.db2.gz PLIWYCYARADIBP-GOSISDBHSA-N 1 0 346.475 1.807 20 10 EDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000066124519 441505957 /nfs/dbraw/zinc/50/59/57/441505957.db2.gz XISNWXZLLUFVQE-NSHDSACASA-N 1 0 343.449 1.224 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1OC ZINC000160300972 441870837 /nfs/dbraw/zinc/87/08/37/441870837.db2.gz MCEOFZOMQVDKTF-OAHLLOKOSA-N 1 0 336.432 1.706 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152386651 442205800 /nfs/dbraw/zinc/20/58/00/442205800.db2.gz WOYVQFUFLCMTPM-SFHVURJKSA-N 1 0 346.519 1.985 20 10 EDCDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000165416907 442209154 /nfs/dbraw/zinc/20/91/54/442209154.db2.gz XKYRCDSFBOFKER-HUUCEWRRSA-N 1 0 349.450 1.921 20 10 EDCDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178971181 442541750 /nfs/dbraw/zinc/54/17/50/442541750.db2.gz CMZBHSKHBLTDCU-GOSISDBHSA-N 1 0 334.464 1.399 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000180029345 442530200 /nfs/dbraw/zinc/53/02/00/442530200.db2.gz QVBBJZXLKGXXSB-INIZCTEOSA-N 1 0 334.416 1.614 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000182466371 442772247 /nfs/dbraw/zinc/77/22/47/442772247.db2.gz ZSKDFRKBUBLMOL-DOMZBBRYSA-N 1 0 344.415 1.981 20 10 EDCDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000185140792 443145833 /nfs/dbraw/zinc/14/58/33/443145833.db2.gz PLOPMPNXOXYWJD-MUMOHDPCSA-N 1 0 341.455 1.732 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)CO)cc2F)CC1 ZINC000264325390 443260408 /nfs/dbraw/zinc/26/04/08/443260408.db2.gz BYKSUNUWUNVVTM-ZDUSSCGKSA-N 1 0 338.427 1.148 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c(O)c1 ZINC000186064024 443305340 /nfs/dbraw/zinc/30/53/40/443305340.db2.gz RIPFZFTZAMUXCN-CVEARBPZSA-N 1 0 347.459 1.284 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1F ZINC000278977606 443479982 /nfs/dbraw/zinc/47/99/82/443479982.db2.gz JQLUKCNBEVFHMV-GFCCVEGCSA-N 1 0 331.395 1.622 20 10 EDCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000272839519 443462615 /nfs/dbraw/zinc/46/26/15/443462615.db2.gz RBUZQKRKHFXHHF-UHFFFAOYSA-N 1 0 330.432 1.707 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@](C)(OC)C1)cc2=O ZINC000279344523 443561191 /nfs/dbraw/zinc/56/11/91/443561191.db2.gz QAIWQKRIUWEIIV-QGZVFWFLSA-N 1 0 348.403 1.613 20 10 EDCDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000275420676 443627347 /nfs/dbraw/zinc/62/73/47/443627347.db2.gz DPPAAPOKDMYQJC-APPDUMDISA-N 1 0 331.372 1.722 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000283469002 443641098 /nfs/dbraw/zinc/64/10/98/443641098.db2.gz LMQMHORIJYGOJE-WBVHZDCISA-N 1 0 346.475 1.358 20 10 EDCDRO COc1cc[nH+]c(N2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000274958769 443616339 /nfs/dbraw/zinc/61/63/39/443616339.db2.gz IXVGRBUIILIUMH-UHFFFAOYSA-N 1 0 329.356 1.464 20 10 EDCDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC[NH2+]1 ZINC000279931613 443644849 /nfs/dbraw/zinc/64/48/49/443644849.db2.gz PQZHUABUXDQIEI-YJBOKZPZSA-N 1 0 345.487 1.900 20 10 EDCDRO CC[N@@H+]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000286600278 443717676 /nfs/dbraw/zinc/71/76/76/443717676.db2.gz RBVQSYJAJVNAOI-INIZCTEOSA-N 1 0 332.492 1.737 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c(C(F)(F)F)c1 ZINC000280624758 443738675 /nfs/dbraw/zinc/73/86/75/443738675.db2.gz PUXVSCGDZYPXEE-NSHDSACASA-N 1 0 344.337 1.491 20 10 EDCDRO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1O ZINC000284805445 443789219 /nfs/dbraw/zinc/78/92/19/443789219.db2.gz KFRXNEVPGAZYQW-RHSMWYFYSA-N 1 0 328.416 1.886 20 10 EDCDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288590516 443928070 /nfs/dbraw/zinc/92/80/70/443928070.db2.gz DCFUFHINKACGSB-RDJZCZTQSA-N 1 0 333.476 1.804 20 10 EDCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000285584993 444038097 /nfs/dbraw/zinc/03/80/97/444038097.db2.gz OONFIYNQHOJLBF-VQIMIIECSA-N 1 0 344.503 1.927 20 10 EDCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294682296 444135701 /nfs/dbraw/zinc/13/57/01/444135701.db2.gz AEAVUXIEGYTXDZ-CYBMUJFWSA-N 1 0 337.439 1.791 20 10 EDCDRO COc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)c(O)c1 ZINC000370032610 446177832 /nfs/dbraw/zinc/17/78/32/446177832.db2.gz VRLMPHVFFSFHSF-UHFFFAOYSA-N 1 0 349.475 1.287 20 10 EDCDRO COc1c(O)c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000365829339 446360783 /nfs/dbraw/zinc/36/07/83/446360783.db2.gz XMQLGRAJBHWFHI-QKCSRTOESA-N 1 0 349.387 1.927 20 10 EDCDRO OCC1([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]2CCCO2)CCC1 ZINC000368225538 446721094 /nfs/dbraw/zinc/72/10/94/446721094.db2.gz IFFYOOXFTYKNSH-YOEHRIQHSA-N 1 0 335.400 1.921 20 10 EDCDRO CCN(C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1)S(C)(=O)=O ZINC000093320518 527876598 /nfs/dbraw/zinc/87/65/98/527876598.db2.gz FMMUWUOEROTCHX-UHFFFAOYSA-N 1 0 339.505 1.999 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](CCO)C2)cc1 ZINC000729544683 578581488 /nfs/dbraw/zinc/58/14/88/578581488.db2.gz KXOHGFRUOIMKBU-MRXNPFEDSA-N 1 0 333.476 1.805 20 10 EDCDRO COC1CC[NH+](CCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000751075107 579793763 /nfs/dbraw/zinc/79/37/63/579793763.db2.gz OQASRKGTCHQMSJ-UHFFFAOYSA-N 1 0 334.464 1.663 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC[C@H]3C)CC2)cc1 ZINC000754051390 579894928 /nfs/dbraw/zinc/89/49/28/579894928.db2.gz UEKSJZCEANYSKN-SJLPKXTDSA-N 1 0 333.476 1.662 20 10 EDCDRO CC[C@H](C)[N@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754056209 579895143 /nfs/dbraw/zinc/89/51/43/579895143.db2.gz ABDIQOOPSXKJEC-WMZOPIPTSA-N 1 0 335.492 1.908 20 10 EDCDRO CC[N@@H+]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000754388008 579902560 /nfs/dbraw/zinc/90/25/60/579902560.db2.gz SCAVGSQQIVWFSU-INIZCTEOSA-N 1 0 332.492 1.737 20 10 EDCDRO COCC(C)(C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000755193106 579922475 /nfs/dbraw/zinc/92/24/75/579922475.db2.gz CKAMSCDITKIDNS-UHFFFAOYSA-N 1 0 340.489 1.684 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000756399510 579949312 /nfs/dbraw/zinc/94/93/12/579949312.db2.gz QIYKXLAMBSKSNL-AWEZNQCLSA-N 1 0 349.475 1.855 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756491384 579950980 /nfs/dbraw/zinc/95/09/80/579950980.db2.gz VGUUKZRYOWMIRK-CQSZACIVSA-N 1 0 331.460 1.696 20 10 EDCDRO CN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000758397434 579981632 /nfs/dbraw/zinc/98/16/32/579981632.db2.gz PLTRRPFPQLBTKY-UHFFFAOYSA-N 1 0 334.464 1.616 20 10 EDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000765796076 580151504 /nfs/dbraw/zinc/15/15/04/580151504.db2.gz MMBMMZJGTXIFBO-HOCLYGCPSA-N 1 0 335.423 1.667 20 10 EDCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768440733 580212857 /nfs/dbraw/zinc/21/28/57/580212857.db2.gz YNVWOKNHLFCBQS-DOMZBBRYSA-N 1 0 336.388 1.529 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(CC(F)F)CC1)[C@H](O)CO2 ZINC000768464876 580213984 /nfs/dbraw/zinc/21/39/84/580213984.db2.gz FNAHQVPTTJLSDD-CQSZACIVSA-N 1 0 328.359 1.591 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)Cn3cccn3)CC2)cc1 ZINC000769493044 580238463 /nfs/dbraw/zinc/23/84/63/580238463.db2.gz ROMCUTHYCOCKMA-KRWDZBQOSA-N 1 0 343.475 1.692 20 10 EDCDRO CCNS(=O)(=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000772978553 580324625 /nfs/dbraw/zinc/32/46/25/580324625.db2.gz NZXFUJZHTTUDGD-UHFFFAOYSA-N 1 0 341.477 1.193 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000775372461 580389445 /nfs/dbraw/zinc/38/94/45/580389445.db2.gz BQSKRRLCZBYRRB-XQQFMLRXSA-N 1 0 349.431 1.164 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(N)=O)c1 ZINC000775374492 580389579 /nfs/dbraw/zinc/38/95/79/580389579.db2.gz CPAPDLPHPFXWNU-NSHDSACASA-N 1 0 343.383 1.789 20 10 EDCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1O ZINC000775512978 580392676 /nfs/dbraw/zinc/39/26/76/580392676.db2.gz VDGLTZYCECDFQN-CQSZACIVSA-N 1 0 339.417 1.541 20 10 EDCDRO C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775702571 580397733 /nfs/dbraw/zinc/39/77/33/580397733.db2.gz SRCMJGVERVIWAB-OAHLLOKOSA-N 1 0 337.489 1.057 20 10 EDCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000776252154 580412880 /nfs/dbraw/zinc/41/28/80/580412880.db2.gz JLLIWOQRLCXNHV-SECBINFHSA-N 1 0 336.251 1.986 20 10 EDCDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779061704 580478684 /nfs/dbraw/zinc/47/86/84/580478684.db2.gz PNXLHXGFIBOOIZ-HNNXBMFYSA-N 1 0 340.489 1.562 20 10 EDCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000789521900 580748473 /nfs/dbraw/zinc/74/84/73/580748473.db2.gz UVDJHVKCFOPFSF-CJNGLKHVSA-N 1 0 334.416 1.699 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000800309212 581050238 /nfs/dbraw/zinc/05/02/38/581050238.db2.gz JKXONBSXVUVNGV-ZBFHGGJFSA-N 1 0 325.478 1.560 20 10 EDCDRO Nc1ccc(CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000892038210 590764196 /nfs/dbraw/zinc/76/41/96/590764196.db2.gz BIEWYTQSWGYEIU-WCQYABFASA-N 1 0 330.354 1.590 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000892193837 590858793 /nfs/dbraw/zinc/85/87/93/590858793.db2.gz RORZHBSORSHGTO-SOUVJXGZSA-N 1 0 332.448 1.558 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cn(C3CC3)nn2)[NH+](C)C)cc1 ZINC000891246963 591016400 /nfs/dbraw/zinc/01/64/00/591016400.db2.gz RCBKQGOWHKAYJC-KRWDZBQOSA-N 1 0 342.447 1.712 20 10 EDCDRO Cc1nonc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248476 591017025 /nfs/dbraw/zinc/01/70/25/591017025.db2.gz NDANCZYEJOFTRD-MRXNPFEDSA-N 1 0 331.420 1.406 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CN2CCCCC2=O)[NH+](C)C)cc1 ZINC000891252124 591019738 /nfs/dbraw/zinc/01/97/38/591019738.db2.gz GNFKDJQNWBWUAM-KRWDZBQOSA-N 1 0 346.475 1.484 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c3c2CCC3)[NH+](C)C)cc1 ZINC000891251683 591020492 /nfs/dbraw/zinc/02/04/92/591020492.db2.gz DWLXILSSDZKCFC-KRWDZBQOSA-N 1 0 341.459 1.997 20 10 EDCDRO C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@H]1CN(C)CCO1 ZINC000893764605 591087420 /nfs/dbraw/zinc/08/74/20/591087420.db2.gz RWXKJLBSOCLBMR-ZWNOBZJWSA-N 1 0 327.812 1.564 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892668574 591120038 /nfs/dbraw/zinc/12/00/38/591120038.db2.gz NSMQOTPLRLTZIP-HOCLYGCPSA-N 1 0 338.473 1.436 20 10 EDCDRO COC(=O)c1c(C[NH2+]CCC(=O)N(C)C)c2cc(F)ccc2n1C ZINC000894212157 591232755 /nfs/dbraw/zinc/23/27/55/591232755.db2.gz WWLIOTLMPNICKP-UHFFFAOYSA-N 1 0 335.379 1.672 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC000895651089 591238219 /nfs/dbraw/zinc/23/82/19/591238219.db2.gz SXXPYSMLBJMQJS-HOTGVXAUSA-N 1 0 346.475 1.915 20 10 EDCDRO COC[C@H](O)CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894369424 591292500 /nfs/dbraw/zinc/29/25/00/591292500.db2.gz UUWRFENWGQWJPV-GFCCVEGCSA-N 1 0 338.379 1.591 20 10 EDCDRO CNC(=O)C1(NCc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000895886074 591296917 /nfs/dbraw/zinc/29/69/17/591296917.db2.gz SJEPYBWSCUUACR-UHFFFAOYSA-N 1 0 327.375 1.416 20 10 EDCDRO CN1CCCc2cc(CNC(=O)C3C[NH+](C4CCOCC4)C3)ccc21 ZINC000895981686 591317347 /nfs/dbraw/zinc/31/73/47/591317347.db2.gz XQGREETWBJOCNL-UHFFFAOYSA-N 1 0 343.471 1.796 20 10 EDCDRO CN(C)c1ccc([C@H](C[NH2+]C2CCN(C(N)=O)CC2)N(C)C)cc1 ZINC000898450153 591353359 /nfs/dbraw/zinc/35/33/59/591353359.db2.gz OPOQLIGQQIEAHE-KRWDZBQOSA-N 1 0 333.480 1.488 20 10 EDCDRO O=S1(=O)C[C@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@H]2C1 ZINC000897617919 591589445 /nfs/dbraw/zinc/58/94/45/591589445.db2.gz ICKSYCVNMZZJJD-AOOOYVTPSA-N 1 0 346.246 1.631 20 10 EDCDRO COC(=O)c1c(C[NH2+]CC[C@@H]2CNC(=O)C2)c2cc(F)ccc2n1C ZINC000896896914 591661570 /nfs/dbraw/zinc/66/15/70/591661570.db2.gz PBJJVQCQSAWFSF-NSHDSACASA-N 1 0 347.390 1.720 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@H](O)C2(C)C)[NH+](C)C)cc1 ZINC000899104202 591684273 /nfs/dbraw/zinc/68/42/73/591684273.db2.gz QTCVIWBGOOQHSZ-ULQDDVLXSA-N 1 0 348.491 1.814 20 10 EDCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[C@H]1O ZINC000899100902 591690149 /nfs/dbraw/zinc/69/01/49/591690149.db2.gz CPVUXHSSKMBQRR-ZTFGCOKTSA-N 1 0 348.491 1.768 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@@H](CCF)C2=O)[NH+](C)C)cc1 ZINC000900185822 591933268 /nfs/dbraw/zinc/93/32/68/591933268.db2.gz SFJLXOFAEFCANF-LSDHHAIUSA-N 1 0 336.411 1.635 20 10 EDCDRO Cc1nnc([C@]23COC[C@H]2C[N@H+](Cc2cc4c(cc2O)CCC4)C3)o1 ZINC000902574985 592017875 /nfs/dbraw/zinc/01/78/75/592017875.db2.gz RJCYRSMXXOWVKC-VQIMIIECSA-N 1 0 341.411 1.972 20 10 EDCDRO c1c(C[C@H]2CC[NH2+]C2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900605644 592067126 /nfs/dbraw/zinc/06/71/26/592067126.db2.gz URALRNZGIWXCBF-MRXNPFEDSA-N 1 0 327.432 1.315 20 10 EDCDRO Fc1cc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)ccc1N1CCOCC1 ZINC000903072521 592119781 /nfs/dbraw/zinc/11/97/81/592119781.db2.gz KGGZERPLGCEEGH-QZTJIDSGSA-N 1 0 336.407 1.700 20 10 EDCDRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903225967 592137413 /nfs/dbraw/zinc/13/74/13/592137413.db2.gz KKLLCUGZPJXPRZ-LLVKDONJSA-N 1 0 332.447 1.027 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c1 ZINC000903364974 592159541 /nfs/dbraw/zinc/15/95/41/592159541.db2.gz GCGXISXBEKBXQS-IAQYHMDHSA-N 1 0 329.418 1.255 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000903969669 592395345 /nfs/dbraw/zinc/39/53/45/592395345.db2.gz IREBBUYNBQVWKE-REMYHPOOSA-N 1 0 337.489 1.132 20 10 EDCDRO C[C@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)COC(=O)N1 ZINC000905708040 592618633 /nfs/dbraw/zinc/61/86/33/592618633.db2.gz MPJWLMNYXUDCSE-YVEFUNNKSA-N 1 0 334.372 1.831 20 10 EDCDRO CCOc1cccc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000911667145 592974220 /nfs/dbraw/zinc/97/42/20/592974220.db2.gz OBLZKMQXORQMTN-QGZVFWFLSA-N 1 0 342.443 1.905 20 10 EDCDRO O=C(NCc1ccc2cccnc2c1O)C1C[NH+](C2CCOCC2)C1 ZINC000911261123 592978630 /nfs/dbraw/zinc/97/86/30/592978630.db2.gz AANPXTSNUCHPIV-UHFFFAOYSA-N 1 0 341.411 1.667 20 10 EDCDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807097437 593144039 /nfs/dbraw/zinc/14/40/39/593144039.db2.gz MZJQSAYRFJPHKD-OAHLLOKOSA-N 1 0 348.491 1.524 20 10 EDCDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840105995 593186227 /nfs/dbraw/zinc/18/62/27/593186227.db2.gz GTZJWTLZNZFLET-DOMZBBRYSA-N 1 0 336.388 1.481 20 10 EDCDRO C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000807671781 593189129 /nfs/dbraw/zinc/18/91/29/593189129.db2.gz SSTDFFFLBAKXOD-AWEZNQCLSA-N 1 0 346.475 1.482 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000803202257 593309158 /nfs/dbraw/zinc/30/91/58/593309158.db2.gz MZZIZZSUOFLCBC-AWEZNQCLSA-N 1 0 334.464 1.134 20 10 EDCDRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)C1CC1 ZINC000809785496 593358741 /nfs/dbraw/zinc/35/87/41/593358741.db2.gz XEYUKWQFQJAIPV-LBPRGKRZSA-N 1 0 342.436 1.825 20 10 EDCDRO C[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000804431202 593414178 /nfs/dbraw/zinc/41/41/78/593414178.db2.gz MCQLGPSVTBJEAB-KBPBESRZSA-N 1 0 346.475 1.529 20 10 EDCDRO CNS(=O)(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000811500066 593472232 /nfs/dbraw/zinc/47/22/32/593472232.db2.gz SVNSBHYIKQRJKO-UHFFFAOYSA-N 1 0 333.841 1.064 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000817411505 593603185 /nfs/dbraw/zinc/60/31/85/593603185.db2.gz SORXZOFLHIMUSA-UHFFFAOYSA-N 1 0 343.221 1.909 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418985 593603858 /nfs/dbraw/zinc/60/38/58/593603858.db2.gz NJQDQRIRSAXCDY-OAHLLOKOSA-N 1 0 328.420 1.004 20 10 EDCDRO C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000817832181 593638643 /nfs/dbraw/zinc/63/86/43/593638643.db2.gz APIGSHZRUPLROK-YOEHRIQHSA-N 1 0 346.475 1.482 20 10 EDCDRO CC(C)(CC[NH3+])NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817876266 593643327 /nfs/dbraw/zinc/64/33/27/593643327.db2.gz AVFFAILYQLQIAK-UHFFFAOYSA-N 1 0 338.427 1.589 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000817919578 593648625 /nfs/dbraw/zinc/64/86/25/593648625.db2.gz UHTMNCRMAMBHHH-MRXNPFEDSA-N 1 0 346.475 1.312 20 10 EDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817919637 593648714 /nfs/dbraw/zinc/64/87/14/593648714.db2.gz WLWABCVQWRPTIA-INIZCTEOSA-N 1 0 346.475 1.169 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000817919148 593648739 /nfs/dbraw/zinc/64/87/39/593648739.db2.gz QJBNJRMLSGFFCD-GJZGRUSLSA-N 1 0 346.475 1.310 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000817950740 593651363 /nfs/dbraw/zinc/65/13/63/593651363.db2.gz YFUKSEKHTWQJNP-ZFWWWQNUSA-N 1 0 333.432 1.327 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000817973384 593652756 /nfs/dbraw/zinc/65/27/56/593652756.db2.gz DZHPERZQQCYJFK-GDBMZVCRSA-N 1 0 347.459 1.717 20 10 EDCDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(Br)cc1O ZINC000818362197 593694617 /nfs/dbraw/zinc/69/46/17/593694617.db2.gz RIQAIIIJTOYQAZ-KCJUWKMLSA-N 1 0 341.205 1.953 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])C2)cc1 ZINC000818656169 593710597 /nfs/dbraw/zinc/71/05/97/593710597.db2.gz RDBVOZIGCVAXAZ-GJZGRUSLSA-N 1 0 334.464 1.948 20 10 EDCDRO COCCOC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964556 593730773 /nfs/dbraw/zinc/73/07/73/593730773.db2.gz ZMRYYUPDPFFNMB-QGZVFWFLSA-N 1 0 340.489 1.353 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000818972044 593731279 /nfs/dbraw/zinc/73/12/79/593731279.db2.gz CAVMVQBWWYCBBU-GOSISDBHSA-N 1 0 331.391 1.881 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819078757 593737570 /nfs/dbraw/zinc/73/75/70/593737570.db2.gz YZXSYRIEEGRDQK-MRXNPFEDSA-N 1 0 333.392 1.316 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000824893277 594091790 /nfs/dbraw/zinc/09/17/90/594091790.db2.gz OKVZUVNUQFLNJL-PHIMTYICSA-N 1 0 339.189 1.168 20 10 EDCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H]1CN(C)CCO1 ZINC000825357799 594172647 /nfs/dbraw/zinc/17/26/47/594172647.db2.gz KFGVTWXRYWTIKH-QMTHXVAHSA-N 1 0 329.238 1.963 20 10 EDCDRO COC[C@]1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC[NH2+]C1 ZINC000827726173 594265739 /nfs/dbraw/zinc/26/57/39/594265739.db2.gz UAWUFDHNIWRKND-BEFAXECRSA-N 1 0 347.459 1.327 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000828147794 594351505 /nfs/dbraw/zinc/35/15/05/594351505.db2.gz JOMYIVWTKZGRHK-OAHLLOKOSA-N 1 0 343.431 1.788 20 10 EDCDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003440 594546831 /nfs/dbraw/zinc/54/68/31/594546831.db2.gz MZUSJIXJCVNCED-GJYPPUQNSA-N 1 0 330.428 1.899 20 10 EDCDRO c1cn(C[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000826845814 594587580 /nfs/dbraw/zinc/58/75/80/594587580.db2.gz LWKSRIDETBMDTP-KRWDZBQOSA-N 1 0 327.432 1.637 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000827469296 594675212 /nfs/dbraw/zinc/67/52/12/594675212.db2.gz UHKWZXGCZUYHRZ-CVEARBPZSA-N 1 0 344.459 1.004 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000831749092 594699116 /nfs/dbraw/zinc/69/91/16/594699116.db2.gz XXFQIFMBWNVWBP-WMLDXEAASA-N 1 0 333.432 1.016 20 10 EDCDRO CCN(CC)C(=O)CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266328 594739093 /nfs/dbraw/zinc/73/90/93/594739093.db2.gz DTKODXMJVRRCRS-INIZCTEOSA-N 1 0 334.464 1.517 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(N(C)C)ccn2)cc1 ZINC000832281662 594740080 /nfs/dbraw/zinc/74/00/80/594740080.db2.gz VJHXXIOTQAFUCO-MRXNPFEDSA-N 1 0 327.432 1.643 20 10 EDCDRO C[C@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283948 594740158 /nfs/dbraw/zinc/74/01/58/594740158.db2.gz DMLXDJXTOUCJQJ-BBRMVZONSA-N 1 0 332.448 1.127 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc3c[nH]nc3c2)cc1 ZINC000832283691 594740249 /nfs/dbraw/zinc/74/02/49/594740249.db2.gz ACGSCZKCUPZJSI-QGZVFWFLSA-N 1 0 337.427 1.988 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCNC(=O)c2ccco2)cc1 ZINC000832285542 594740305 /nfs/dbraw/zinc/74/03/05/594740305.db2.gz ROFOCGXHWGGDSA-HNNXBMFYSA-N 1 0 344.415 1.282 20 10 EDCDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000840827815 594818760 /nfs/dbraw/zinc/81/87/60/594818760.db2.gz MZSSBWJMOMYZOC-ZFWWWQNUSA-N 1 0 335.423 1.839 20 10 EDCDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841007882 594838067 /nfs/dbraw/zinc/83/80/67/594838067.db2.gz JCRFYHHNCSHAMM-CQSZACIVSA-N 1 0 332.448 1.836 20 10 EDCDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841006914 594838145 /nfs/dbraw/zinc/83/81/45/594838145.db2.gz IUUNIRZKOYOBLG-KBPBESRZSA-N 1 0 332.448 1.692 20 10 EDCDRO COC[C@]1(CNCc2ccc([N+](=O)[O-])c(OC)c2O)CCC[NH2+]1 ZINC000841066762 594846701 /nfs/dbraw/zinc/84/67/01/594846701.db2.gz GTFGECLVPUTQCA-OAHLLOKOSA-N 1 0 325.365 1.167 20 10 EDCDRO COc1cc(Br)cc(CNC[C@@H]2C[NH2+]CCCO2)c1O ZINC000841087319 594849072 /nfs/dbraw/zinc/84/90/72/594849072.db2.gz UPAZJNQIWQQASL-LBPRGKRZSA-N 1 0 345.237 1.631 20 10 EDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(N)cc1 ZINC000841299949 594882680 /nfs/dbraw/zinc/88/26/80/594882680.db2.gz KTJBWTMSGFAGRU-HNNXBMFYSA-N 1 0 333.436 1.333 20 10 EDCDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841712527 594941771 /nfs/dbraw/zinc/94/17/71/594941771.db2.gz PZDXVPRHUQFROL-OAHLLOKOSA-N 1 0 338.427 1.445 20 10 EDCDRO C[C@@H](NC(=O)NCC1([NH3+])CCC1)c1ccc(N2CCOCC2)cc1 ZINC000841742598 594946132 /nfs/dbraw/zinc/94/61/32/594946132.db2.gz XVDATNKSYCPAFF-CQSZACIVSA-N 1 0 332.448 1.765 20 10 EDCDRO COC[C@]1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841882407 594973039 /nfs/dbraw/zinc/97/30/39/594973039.db2.gz YNTGHZXJEGIBEE-KBXCAEBGSA-N 1 0 334.464 1.881 20 10 EDCDRO O=C(NCc1cccc(Br)c1O)NC[C@H]1CCC[NH2+]1 ZINC000841936280 594985477 /nfs/dbraw/zinc/98/54/77/594985477.db2.gz GSSKGXXVNXPQFQ-SNVBAGLBSA-N 1 0 328.210 1.706 20 10 EDCDRO O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCC[NH2+]1 ZINC000841936278 594985546 /nfs/dbraw/zinc/98/55/46/594985546.db2.gz GSSKGXXVNXPQFQ-JTQLQIEISA-N 1 0 328.210 1.706 20 10 EDCDRO COC[C@]1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCC[NH2+]1 ZINC000841997081 594997994 /nfs/dbraw/zinc/99/79/94/594997994.db2.gz MULGPCREYMFVMA-LJQANCHMSA-N 1 0 347.459 1.839 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842201779 595036444 /nfs/dbraw/zinc/03/64/44/595036444.db2.gz BZKYJOXPRKIRJU-WWGRRREGSA-N 1 0 332.448 1.044 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000842201759 595036666 /nfs/dbraw/zinc/03/66/66/595036666.db2.gz BLOLYSILRASMPE-YSVLISHTSA-N 1 0 346.475 1.564 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842203118 595037111 /nfs/dbraw/zinc/03/71/11/595037111.db2.gz OXWIVNCRZPNMIJ-UONOGXRCSA-N 1 0 332.448 1.127 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842202685 595037259 /nfs/dbraw/zinc/03/72/59/595037259.db2.gz KLDRHIAWNXUSJT-AWEZNQCLSA-N 1 0 346.475 1.436 20 10 EDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842216061 595041708 /nfs/dbraw/zinc/04/17/08/595041708.db2.gz ZKQZEQPWLCGIGE-MRXNPFEDSA-N 1 0 346.475 1.537 20 10 EDCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842242294 595051764 /nfs/dbraw/zinc/05/17/64/595051764.db2.gz PTTWJHWVPMJEMN-INIZCTEOSA-N 1 0 346.475 1.022 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000843265326 595058039 /nfs/dbraw/zinc/05/80/39/595058039.db2.gz SPGHQRIQRWXDSL-GJZGRUSLSA-N 1 0 348.491 1.732 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2nc(C3CC3)nn2C)cc1 ZINC000843297385 595066320 /nfs/dbraw/zinc/06/63/20/595066320.db2.gz HPQNELJFVFMXGH-OAHLLOKOSA-N 1 0 342.447 1.117 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCNC(=O)C(C)(C)C)cc1 ZINC000843299057 595066909 /nfs/dbraw/zinc/06/69/09/595066909.db2.gz QQUXONKGOAKWOF-HNNXBMFYSA-N 1 0 334.464 1.421 20 10 EDCDRO Cc1cc(=O)n2nc(CN3CCCc4cc(C[NH3+])ccc43)sc2n1 ZINC000843349694 595082595 /nfs/dbraw/zinc/08/25/95/595082595.db2.gz JBOTXTTXBQXYHN-UHFFFAOYSA-N 1 0 341.440 1.871 20 10 EDCDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846138732 595154695 /nfs/dbraw/zinc/15/46/95/595154695.db2.gz NGDVTERNONKKHH-GFCCVEGCSA-N 1 0 342.461 1.866 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1O ZINC000846147133 595156871 /nfs/dbraw/zinc/15/68/71/595156871.db2.gz TYPYPMUQHYSXBA-ZDUSSCGKSA-N 1 0 335.448 1.604 20 10 EDCDRO O=S1(=O)C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)Oc2ccccc21 ZINC000842723160 595180879 /nfs/dbraw/zinc/18/08/79/595180879.db2.gz ZIRWJQZIOPGLOV-HNNXBMFYSA-N 1 0 345.420 1.946 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCc2ccccc2)cc1 ZINC000842785757 595197834 /nfs/dbraw/zinc/19/78/34/595197834.db2.gz VYDAIJVHZLLGFC-SFHVURJKSA-N 1 0 347.484 1.915 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844171412 595290313 /nfs/dbraw/zinc/29/03/13/595290313.db2.gz SSZSMZVJRYGYSP-HNNXBMFYSA-N 1 0 339.386 1.384 20 10 EDCDRO [NH3+]C1(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000844173478 595291519 /nfs/dbraw/zinc/29/15/19/595291519.db2.gz DKZFGKIPXUYCJR-UHFFFAOYSA-N 1 0 331.460 1.783 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@H](C)[NH2+][C@@H](C)C3)CC2)cc1 ZINC000844218465 595304870 /nfs/dbraw/zinc/30/48/70/595304870.db2.gz ATOFIGBUTQNKQZ-HOTGVXAUSA-N 1 0 346.475 1.026 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000846707030 595305066 /nfs/dbraw/zinc/30/50/66/595305066.db2.gz CJBUHZOEQKVQQQ-CVEARBPZSA-N 1 0 346.475 1.155 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC000848408050 595374590 /nfs/dbraw/zinc/37/45/90/595374590.db2.gz YPVLYDWYOJMOIF-IEBWSBKVSA-N 1 0 329.444 1.734 20 10 EDCDRO CCc1cccc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)c1O ZINC000848880627 595462156 /nfs/dbraw/zinc/46/21/56/595462156.db2.gz HSGWILVIKAGIDE-CQSZACIVSA-N 1 0 331.460 1.739 20 10 EDCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1O ZINC000848909513 595466323 /nfs/dbraw/zinc/46/63/23/595466323.db2.gz VPKOPMLOLBOYNJ-DZGCQCFKSA-N 1 0 326.462 1.762 20 10 EDCDRO CCS(=O)(=O)NCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858117366 595702967 /nfs/dbraw/zinc/70/29/67/595702967.db2.gz LMHGHCTUARDDDJ-UHFFFAOYSA-N 1 0 335.420 1.450 20 10 EDCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@H]1CN(C)CCO1 ZINC000858151075 595714115 /nfs/dbraw/zinc/71/41/15/595714115.db2.gz RVZWPMKJAUCYDJ-QMTHXVAHSA-N 1 0 329.238 1.963 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1F ZINC000858169616 595718315 /nfs/dbraw/zinc/71/83/15/595718315.db2.gz AKZOAVGRUYMYMH-CQSZACIVSA-N 1 0 327.419 1.967 20 10 EDCDRO COc1cccc(O)c1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000858223070 595735254 /nfs/dbraw/zinc/73/52/54/595735254.db2.gz WTHZSLGESONLOQ-SFHVURJKSA-N 1 0 336.432 1.106 20 10 EDCDRO COC[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)OC ZINC000850345605 595814396 /nfs/dbraw/zinc/81/43/96/595814396.db2.gz FYCFPPJTVXXJHP-HNNXBMFYSA-N 1 0 326.412 1.803 20 10 EDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850390424 595825840 /nfs/dbraw/zinc/82/58/40/595825840.db2.gz ZBDBBHZXGVTSJR-UHFFFAOYSA-N 1 0 325.384 1.450 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)C2)cc1 ZINC000851639094 595864362 /nfs/dbraw/zinc/86/43/62/595864362.db2.gz AWGRDEYUGWFERJ-POZUXBRTSA-N 1 0 329.444 1.780 20 10 EDCDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851664197 595874798 /nfs/dbraw/zinc/87/47/98/595874798.db2.gz UDKRWHVPBYKZPX-CVEARBPZSA-N 1 0 346.475 1.717 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCCC3CC[NH2+]CC3)C2)cc1 ZINC000851668583 595877431 /nfs/dbraw/zinc/87/74/31/595877431.db2.gz GXONNKHHTMGFCZ-INIZCTEOSA-N 1 0 346.475 1.963 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000861767600 596096229 /nfs/dbraw/zinc/09/62/29/596096229.db2.gz OIRKZZFEMPZZLI-XJKSGUPXSA-N 1 0 344.459 1.331 20 10 EDCDRO CC[NH+]1CCN(CCC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862028367 596186695 /nfs/dbraw/zinc/18/66/95/596186695.db2.gz WRYCXQDQOZAIBP-UHFFFAOYSA-N 1 0 342.443 1.584 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1)cc2=O ZINC000852586873 596206147 /nfs/dbraw/zinc/20/61/47/596206147.db2.gz OCZLRKGHHUTKES-NEPJUHHUSA-N 1 0 348.403 1.611 20 10 EDCDRO CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCC[NH+](C)C)cc1 ZINC000866559408 596252065 /nfs/dbraw/zinc/25/20/65/596252065.db2.gz HEBJLGJEBSIGFP-UHFFFAOYSA-N 1 0 339.505 1.999 20 10 EDCDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207160 596498519 /nfs/dbraw/zinc/49/85/19/596498519.db2.gz KMAWTJRMJQFVON-AWEZNQCLSA-N 1 0 349.431 1.689 20 10 EDCDRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000872200089 596831989 /nfs/dbraw/zinc/83/19/89/596831989.db2.gz SXLWZWPAJZKZDF-RBUKOAKNSA-N 1 0 334.460 1.525 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CC2(O)CCOCC2)cc1F ZINC000872200046 596832360 /nfs/dbraw/zinc/83/23/60/596832360.db2.gz VFYUFADVEKQULO-CQSZACIVSA-N 1 0 326.412 1.274 20 10 EDCDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000872254969 596855672 /nfs/dbraw/zinc/85/56/72/596855672.db2.gz HEEUSICSAUYDOF-YVLXSGLVSA-N 1 0 337.807 1.413 20 10 EDCDRO COc1ccc(C[NH2+]CCCN2CCOCC2)cc1Cn1cccn1 ZINC000873006805 597158266 /nfs/dbraw/zinc/15/82/66/597158266.db2.gz RVMGEMLRPAQHSZ-UHFFFAOYSA-N 1 0 344.459 1.752 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1Cn1cccn1 ZINC000873096437 597192146 /nfs/dbraw/zinc/19/21/46/597192146.db2.gz ZXQZAVNCJAALSB-CYBMUJFWSA-N 1 0 337.445 1.463 20 10 EDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873131506 597206549 /nfs/dbraw/zinc/20/65/49/597206549.db2.gz TYWQITZFVJAHAV-UHFFFAOYSA-N 1 0 330.432 1.944 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2cnc(N)s2)cc1 ZINC000876507170 597224346 /nfs/dbraw/zinc/22/43/46/597224346.db2.gz XFEMRSRNTFPNJX-AWEZNQCLSA-N 1 0 333.461 1.540 20 10 EDCDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876592706 597253476 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C[NH+]1CCN(c2ccc(CNC(=O)[C@@](C)(O)C3CCC3)cc2)CC1 ZINC000918846178 697215875 /nfs/dbraw/zinc/21/58/75/697215875.db2.gz QBSWRXCILICHQY-IBGZPJMESA-N 1 0 331.460 1.606 20 10 EDCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1 ZINC000918906556 697222493 /nfs/dbraw/zinc/22/24/93/697222493.db2.gz PGRKCYJKDCAPCF-QAPCUYQASA-N 1 0 331.460 1.870 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2C)cc1C ZINC000939400500 699549666 /nfs/dbraw/zinc/54/96/66/699549666.db2.gz OMYHVMFXIHMLNS-GDBMZVCRSA-N 1 0 342.443 1.906 20 10 EDCDRO CCN1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000922639149 704169034 /nfs/dbraw/zinc/16/90/34/704169034.db2.gz IWPUGRRVASYKDW-INIZCTEOSA-N 1 0 335.423 1.763 20 10 EDCDRO CCC(=O)N(C)C1CC([NH2+]Cc2nnnn2-c2ccc(OC)cc2)C1 ZINC000998327897 705750652 /nfs/dbraw/zinc/75/06/52/705750652.db2.gz UIOVQDAERMDEBC-UHFFFAOYSA-N 1 0 344.419 1.160 20 10 EDCDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2=O)n(C)n1 ZINC000921793838 708050659 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C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000280443606 443713503 /nfs/dbraw/zinc/71/35/03/443713503.db2.gz CSNLUPUIJNQBMV-LLVKDONJSA-N 1 0 345.365 1.694 20 10 EDCDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298351148 443751944 /nfs/dbraw/zinc/75/19/44/443751944.db2.gz BWOQVUHIIZPARQ-IBGZPJMESA-N 1 0 333.476 1.996 20 10 EDCDRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc(F)ccc1O ZINC000280884011 443766598 /nfs/dbraw/zinc/76/65/98/443766598.db2.gz DPFVHLFRGBURGJ-GHMZBOCLSA-N 1 0 332.379 1.740 20 10 EDCDRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298705130 443844959 /nfs/dbraw/zinc/84/49/59/443844959.db2.gz UKNAZIKJRZGWRU-UHFFFAOYSA-N 1 0 336.480 1.862 20 10 EDCDRO CC(C)[C@@H](CNC(=O)NCc1ccccc1O)[NH+]1CCN(C)CC1 ZINC000299478426 444058092 /nfs/dbraw/zinc/05/80/92/444058092.db2.gz GIFXGMPWLHOOHU-MRXNPFEDSA-N 1 0 334.464 1.463 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)N(C)C)cc1F ZINC000289813227 444206560 /nfs/dbraw/zinc/20/65/60/444206560.db2.gz 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CN(C)c1ccc(C[NH+]2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000365873885 446382478 /nfs/dbraw/zinc/38/24/78/446382478.db2.gz MIKPBQKYQYQRCH-UHFFFAOYSA-N 1 0 333.476 1.412 20 10 EDCDRO COC[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000367591481 446565384 /nfs/dbraw/zinc/56/53/84/446565384.db2.gz ZQMKBBRXGDZESR-CQSZACIVSA-N 1 0 343.374 1.347 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1F ZINC000376968666 446828621 /nfs/dbraw/zinc/82/86/21/446828621.db2.gz RVLKZSLJQZMEHD-ZDUSSCGKSA-N 1 0 346.410 1.419 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000368593009 446966284 /nfs/dbraw/zinc/96/62/84/446966284.db2.gz OXQNLUKDHVXQNB-SFHVURJKSA-N 1 0 336.432 1.372 20 10 EDCDRO Cn1ccnc1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC(=O)N1C ZINC000583616618 448443597 /nfs/dbraw/zinc/44/35/97/448443597.db2.gz RJOYDWBPYKPICC-MAUKXSAKSA-N 1 0 340.427 1.664 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCO3)cc2F)CC1 ZINC000106702126 529153128 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CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC)[C@@H]1CCCO1)cc2=O ZINC000754515354 579904989 /nfs/dbraw/zinc/90/49/89/579904989.db2.gz MGNTZVLXXXHXIQ-KGLIPLIRSA-N 1 0 348.403 1.659 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)c(O)c1 ZINC000756689967 579955042 /nfs/dbraw/zinc/95/50/42/579955042.db2.gz WGSLWRZLFKVNGG-CYBMUJFWSA-N 1 0 328.434 1.013 20 10 EDCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Br)ccc1O ZINC000762786602 580083160 /nfs/dbraw/zinc/08/31/60/580083160.db2.gz JWVKZIYZGRYIQB-HZMBPMFUSA-N 1 0 329.238 1.872 20 10 EDCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000766436103 580166886 /nfs/dbraw/zinc/16/68/86/580166886.db2.gz GERWNWNIMCLGIG-XJKSGUPXSA-N 1 0 335.423 1.934 20 10 EDCDRO COc1ccc(N2CCC([NH2+]Cc3nnnn3CC3CC3)CC2)cc1 ZINC000769985036 580250459 /nfs/dbraw/zinc/25/04/59/580250459.db2.gz GCZMPGFVVKTJPS-UHFFFAOYSA-N 1 0 342.447 1.850 20 10 EDCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000770677479 580267390 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349.431 1.179 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000775375562 580389610 /nfs/dbraw/zinc/38/96/10/580389610.db2.gz NJKBYVPUVYPAAI-NEPJUHHUSA-N 1 0 349.431 1.164 20 10 EDCDRO COc1cc(O)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000775646337 580396197 /nfs/dbraw/zinc/39/61/97/580396197.db2.gz JKZLBPQINIAWIV-HNNXBMFYSA-N 1 0 336.432 1.706 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)CCCCO)CC2)cc1 ZINC000779035934 580478310 /nfs/dbraw/zinc/47/83/10/580478310.db2.gz PJMGEYPYAYIEFN-QGZVFWFLSA-N 1 0 335.492 1.958 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000779505159 580487356 /nfs/dbraw/zinc/48/73/56/580487356.db2.gz GIRQLTBQEZORCI-BIENSFFJSA-N 1 0 346.427 1.824 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1O ZINC000783535331 580601042 /nfs/dbraw/zinc/60/10/42/580601042.db2.gz LVQURFXMJJBAGF-UKRRQHHQSA-N 1 0 328.416 1.968 20 10 EDCDRO CC1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)OCCO1 ZINC000784039689 580612475 /nfs/dbraw/zinc/61/24/75/580612475.db2.gz ZEDOGXJPZGUUIK-BBRMVZONSA-N 1 0 335.400 1.793 20 10 EDCDRO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000787328372 580693161 /nfs/dbraw/zinc/69/31/61/580693161.db2.gz ROQZRCSYOXTTIQ-CJNGLKHVSA-N 1 0 333.432 1.252 20 10 EDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000793789550 580856230 /nfs/dbraw/zinc/85/62/30/580856230.db2.gz AODGBBOUVYGALP-OAHLLOKOSA-N 1 0 348.491 1.524 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1C ZINC000796511298 580955370 /nfs/dbraw/zinc/95/53/70/580955370.db2.gz QHSXENBGAUNTTF-OAHLLOKOSA-N 1 0 326.462 1.907 20 10 EDCDRO COc1cccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000796514006 580955457 /nfs/dbraw/zinc/95/54/57/580955457.db2.gz SRIWLSLFYHGTBT-CYBMUJFWSA-N 1 0 328.434 1.305 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)c(OC)c1 ZINC000892023896 590753999 /nfs/dbraw/zinc/75/39/99/590753999.db2.gz LRCBUPJPKJUOKO-OAHLLOKOSA-N 1 0 348.447 1.273 20 10 EDCDRO C[C@H](CCCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893590957 590995024 /nfs/dbraw/zinc/99/50/24/590995024.db2.gz ROLHZHWVITURTF-PBHICJAKSA-N 1 0 336.480 1.816 20 10 EDCDRO Cc1nnc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891249524 591018083 /nfs/dbraw/zinc/01/80/83/591018083.db2.gz RIGOMMPMQNEWAY-HNNXBMFYSA-N 1 0 331.420 1.406 20 10 EDCDRO CCOC(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256541 591022641 /nfs/dbraw/zinc/02/26/41/591022641.db2.gz ZKEJLBWRWYNKJN-HNNXBMFYSA-N 1 0 336.436 1.218 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NCC[NH+]2CCC(O)CC2)cc1F ZINC000892485390 591045043 /nfs/dbraw/zinc/04/50/43/591045043.db2.gz IWMRTUYFQMPOGA-UHFFFAOYSA-N 1 0 338.427 1.148 20 10 EDCDRO COc1ccc(N2CCC([NH2+]C3CC(S(C)(=O)=O)C3)CC2)cc1 ZINC000892812989 591190396 /nfs/dbraw/zinc/19/03/96/591190396.db2.gz OVYJGTDMJDBOOO-UHFFFAOYSA-N 1 0 338.473 1.829 20 10 EDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000892938801 591231401 /nfs/dbraw/zinc/23/14/01/591231401.db2.gz CSUAEFLSOIEACC-CVEARBPZSA-N 1 0 345.491 1.330 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1O ZINC000894228668 591237766 /nfs/dbraw/zinc/23/77/66/591237766.db2.gz BWUVWJKHNGUEJV-UHFFFAOYSA-N 1 0 335.448 1.351 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000894469385 591320881 /nfs/dbraw/zinc/32/08/81/591320881.db2.gz NEKMPBREQFHGFJ-KRWDZBQOSA-N 1 0 325.405 1.892 20 10 EDCDRO CCN1C[C@@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1=O ZINC000894900919 591465686 /nfs/dbraw/zinc/46/56/86/591465686.db2.gz PYYUZMIKGIPMFB-LBPRGKRZSA-N 1 0 347.390 1.814 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCC2(O)CCC2)[NH+](C)C)cc1 ZINC000899103319 591683770 /nfs/dbraw/zinc/68/37/70/591683770.db2.gz YZZNLKIJUNPJKP-INIZCTEOSA-N 1 0 334.464 1.570 20 10 EDCDRO COc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000896956307 591694671 /nfs/dbraw/zinc/69/46/71/591694671.db2.gz UIKNCHCWDURGJP-YHWZYXNKSA-N 1 0 341.429 1.607 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000895331858 591717958 /nfs/dbraw/zinc/71/79/58/591717958.db2.gz RQIYQHWNAAKWHX-FZMZJTMJSA-N 1 0 346.221 1.481 20 10 EDCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc1Cl ZINC000897047441 591721487 /nfs/dbraw/zinc/72/14/87/591721487.db2.gz VINPEDDLFGIWQP-ZDUSSCGKSA-N 1 0 338.835 1.817 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C2C[NH+](C3CCOCC3)C2)cc1 ZINC000895485030 591778604 /nfs/dbraw/zinc/77/86/04/591778604.db2.gz HDCZEVYAAIIDQI-UHFFFAOYSA-N 1 0 331.460 1.822 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])[C@H]3CCCOC3)cc2)CC1 ZINC000901830893 591844350 /nfs/dbraw/zinc/84/43/50/591844350.db2.gz FEKOJQNCDCFZCG-WMZOPIPTSA-N 1 0 347.459 1.408 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1 ZINC000898328594 591860757 /nfs/dbraw/zinc/86/07/57/591860757.db2.gz CVTLJKRYJVBBFW-HYXAFXHYSA-N 1 0 328.416 1.708 20 10 EDCDRO CN(C)c1ncc(/C=C2\c3cc([N+](=O)[O-])ccc3N(C)C2=O)n1C ZINC000840723893 591861321 /nfs/dbraw/zinc/86/13/21/591861321.db2.gz RTJWNRIIJZTCCC-MDWZMJQESA-N 1 0 327.344 1.911 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000898359813 591871803 /nfs/dbraw/zinc/87/18/03/591871803.db2.gz UPDSHVWLULTQDB-ZFWWWQNUSA-N 1 0 339.411 1.431 20 10 EDCDRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(Br)cc1O)CC2 ZINC000897347971 591877210 /nfs/dbraw/zinc/87/72/10/591877210.db2.gz YMEPDXIWTWJLAO-LLVKDONJSA-N 1 0 337.221 1.930 20 10 EDCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000898350471 591882596 /nfs/dbraw/zinc/88/25/96/591882596.db2.gz IUBMCMAJEORFBZ-BXUZGUMPSA-N 1 0 342.823 1.893 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000898358777 591889705 /nfs/dbraw/zinc/88/97/05/591889705.db2.gz ITKOJPDAQSGLRL-AAEUAGOBSA-N 1 0 328.796 1.584 20 10 EDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C12CC[NH+](CC1)C2 ZINC000900756952 592107952 /nfs/dbraw/zinc/10/79/52/592107952.db2.gz XPBMZZYREBJDIF-UHFFFAOYSA-N 1 0 343.471 1.607 20 10 EDCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cc2)CC1 ZINC000903075634 592116115 /nfs/dbraw/zinc/11/61/15/592116115.db2.gz AUCBLSOBJGVSEP-VQTJNVASSA-N 1 0 346.471 1.933 20 10 EDCDRO CO[C@@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCS(=O)(=O)C1 ZINC000903363063 592158960 /nfs/dbraw/zinc/15/89/60/592158960.db2.gz LTXKYHQXGNPZHM-XJKSGUPXSA-N 1 0 327.446 1.863 20 10 EDCDRO CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000903363389 592159027 /nfs/dbraw/zinc/15/90/27/592159027.db2.gz NTMPYPYDCUGYJV-GDBMZVCRSA-N 1 0 327.446 1.945 20 10 EDCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)F ZINC000905060607 592396808 /nfs/dbraw/zinc/39/68/08/592396808.db2.gz WBFZCGKIBYLLSM-SUMWQHHRSA-N 1 0 341.402 1.494 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC(=O)OC)cc2F)CC1 ZINC000906603021 592862523 /nfs/dbraw/zinc/86/25/23/592862523.db2.gz XBJQSAQVNZXFPC-UHFFFAOYSA-N 1 0 337.395 1.147 20 10 EDCDRO Cc1ncc2n1C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000911666071 592973504 /nfs/dbraw/zinc/97/35/04/592973504.db2.gz HBOJMCCOBVDHQW-CRAIPNDOSA-N 1 0 341.459 1.636 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000803179611 593307984 /nfs/dbraw/zinc/30/79/84/593307984.db2.gz QDTUMJHGAGZMRS-OAHLLOKOSA-N 1 0 345.443 1.484 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)C1(OC)CCC1)cc2=O ZINC000839660591 593358842 /nfs/dbraw/zinc/35/88/42/593358842.db2.gz MWJZKIVIBCOTBY-NSHDSACASA-N 1 0 348.403 1.659 20 10 EDCDRO CC[NH+](CC)CCS(=O)(=O)NCCCSc1nccs1 ZINC000810048446 593377628 /nfs/dbraw/zinc/37/76/28/593377628.db2.gz FXUZYLORGGSTGR-UHFFFAOYSA-N 1 0 337.536 1.887 20 10 EDCDRO COC1([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000817297840 593590708 /nfs/dbraw/zinc/59/07/08/593590708.db2.gz WBCIBFXXWJYMHT-HNNXBMFYSA-N 1 0 349.475 1.543 20 10 EDCDRO COc1ccc(N2CCN(CCN[C@@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817892463 593646177 /nfs/dbraw/zinc/64/61/77/593646177.db2.gz AEGASODEPWMWSR-QFBILLFUSA-N 1 0 332.492 1.547 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cs2)cc1 ZINC000818603847 593707231 /nfs/dbraw/zinc/70/72/31/593707231.db2.gz PVQSVYQUBIBNHI-AAEUAGOBSA-N 1 0 334.420 1.746 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000818654809 593710507 /nfs/dbraw/zinc/71/05/07/593710507.db2.gz GGOTYOALBHXMNS-XHSDSOJGSA-N 1 0 346.475 1.948 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H]3CC3(C)C)CC2)cc1 ZINC000819060088 593736646 /nfs/dbraw/zinc/73/66/46/593736646.db2.gz MYVXFWJTCNMDPP-WMZOPIPTSA-N 1 0 347.503 1.814 20 10 EDCDRO CCS(=O)(=O)CC[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819380367 593752676 /nfs/dbraw/zinc/75/26/76/593752676.db2.gz POBSDNFZIGMDBA-CQSZACIVSA-N 1 0 326.462 1.546 20 10 EDCDRO O=C(C[NH+]1CCCC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000823510449 594212164 /nfs/dbraw/zinc/21/21/64/594212164.db2.gz YDSKRXYLQPGWGH-UHFFFAOYSA-N 1 0 339.386 1.513 20 10 EDCDRO C[C@]1(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[NH2+]C1 ZINC000831011510 594537989 /nfs/dbraw/zinc/53/79/89/594537989.db2.gz CVZWIJCMGXGUBB-KRWDZBQOSA-N 1 0 336.411 1.214 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000826705944 594560454 /nfs/dbraw/zinc/56/04/54/594560454.db2.gz DCPYDQUPSQBNJJ-MRXNPFEDSA-N 1 0 346.475 1.358 20 10 EDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)cc2)CC1 ZINC000829159075 594575422 /nfs/dbraw/zinc/57/54/22/594575422.db2.gz KLPXWCYHLKSQEA-QFBILLFUSA-N 1 0 334.460 1.477 20 10 EDCDRO Cc1ccc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c(O)c1O ZINC000829256677 594588464 /nfs/dbraw/zinc/58/84/64/594588464.db2.gz ARKZXSNVXWBGOD-UHFFFAOYSA-N 1 0 334.416 1.591 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1C[C@@H](OC)C1(C)C)cc2=O ZINC000831339839 594611118 /nfs/dbraw/zinc/61/11/18/594611118.db2.gz XNENKICKFCWSJG-QWHCGFSZSA-N 1 0 348.403 1.515 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000827340795 594662690 /nfs/dbraw/zinc/66/26/90/594662690.db2.gz LKNJYGONAPKPID-KRWDZBQOSA-N 1 0 346.475 1.407 20 10 EDCDRO COCc1nc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000832280148 594739923 /nfs/dbraw/zinc/73/99/23/594739923.db2.gz NGCKSHGYWLLYMS-ZDUSSCGKSA-N 1 0 334.445 1.785 20 10 EDCDRO COc1ccc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nc1 ZINC000832284819 594740363 /nfs/dbraw/zinc/74/03/63/594740363.db2.gz MUTQACCEYZDLOI-KRWDZBQOSA-N 1 0 328.416 1.515 20 10 EDCDRO Cc1cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)ccc1N(C)C ZINC000832368815 594745565 /nfs/dbraw/zinc/74/55/65/594745565.db2.gz FTZBMMAQCAZOBY-GOSISDBHSA-N 1 0 344.503 1.847 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000841045400 594843794 /nfs/dbraw/zinc/84/37/94/594843794.db2.gz UEXCPYJDXRASSU-MRXNPFEDSA-N 1 0 330.432 1.684 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841298162 594882656 /nfs/dbraw/zinc/88/26/56/594882656.db2.gz MWRBBVVAYCSVJB-OAHLLOKOSA-N 1 0 331.420 1.039 20 10 EDCDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCc3ccc(O)c(O)c3)cc2C1 ZINC000841325666 594884906 /nfs/dbraw/zinc/88/49/06/594884906.db2.gz RHKXGDJUEIWGJN-CYBMUJFWSA-N 1 0 342.399 1.673 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000836223481 594939818 /nfs/dbraw/zinc/93/98/18/594939818.db2.gz BKOLAAOYZNKGFY-KRWDZBQOSA-N 1 0 334.464 1.399 20 10 EDCDRO [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729407 594944642 /nfs/dbraw/zinc/94/46/42/594944642.db2.gz FMJMWAQANZXVHJ-QGZVFWFLSA-N 1 0 332.448 1.546 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000841729081 594944681 /nfs/dbraw/zinc/94/46/81/594944681.db2.gz AZELYAWPQPVGMF-NVXWUHKLSA-N 1 0 346.475 1.792 20 10 EDCDRO [NH3+]CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)F ZINC000841731067 594944911 /nfs/dbraw/zinc/94/49/11/594944911.db2.gz XJKOWSYBSORLAV-CQSZACIVSA-N 1 0 342.390 1.305 20 10 EDCDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841739764 594945772 /nfs/dbraw/zinc/94/57/72/594945772.db2.gz BZVMJLQEWZPKTL-VKJFTORMSA-N 1 0 346.475 1.881 20 10 EDCDRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841741958 594946052 /nfs/dbraw/zinc/94/60/52/594946052.db2.gz UIQHXAHYLZOQHB-OWCLPIDISA-N 1 0 346.475 1.976 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000836471827 594966524 /nfs/dbraw/zinc/96/65/24/594966524.db2.gz BDBCTZZJKWOPCO-ZDUSSCGKSA-N 1 0 337.420 1.483 20 10 EDCDRO C[C@@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H](C)[NH3+] ZINC000841915656 594981283 /nfs/dbraw/zinc/98/12/83/594981283.db2.gz SPNPKSPMVQSAOG-WDEREUQCSA-N 1 0 342.390 1.336 20 10 EDCDRO CC[NH2+]CCCNC(=O)NCc1cccc(Br)c1O ZINC000841918437 594981415 /nfs/dbraw/zinc/98/14/15/594981415.db2.gz YVTJKTQGCJUQPI-UHFFFAOYSA-N 1 0 330.226 1.954 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841943025 594986582 /nfs/dbraw/zinc/98/65/82/594986582.db2.gz BWGLUCKKDHQYFK-HNNXBMFYSA-N 1 0 332.448 1.669 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841949279 594987986 /nfs/dbraw/zinc/98/79/86/594987986.db2.gz ZNFOEBVWBPRQFX-KRWDZBQOSA-N 1 0 332.448 1.402 20 10 EDCDRO [NH3+]C[C@@H](NC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000841948721 594988031 /nfs/dbraw/zinc/98/80/31/594988031.db2.gz WZXQXCIJCGLDJY-LLVKDONJSA-N 1 0 328.210 1.691 20 10 EDCDRO O=C(NC[C@@H]1C[NH2+]CCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842012166 595002197 /nfs/dbraw/zinc/00/21/97/595002197.db2.gz VDHFYHSMQQBJQZ-CVEARBPZSA-N 1 0 349.431 1.071 20 10 EDCDRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842212720 595041186 /nfs/dbraw/zinc/04/11/86/595041186.db2.gz JFIMOQDKYCAYIK-UHFFFAOYSA-N 1 0 344.459 1.161 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000842259787 595057798 /nfs/dbraw/zinc/05/77/98/595057798.db2.gz QCCJNBKAEQOREI-HOCLYGCPSA-N 1 0 347.459 1.765 20 10 EDCDRO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350548 595082726 /nfs/dbraw/zinc/08/27/26/595082726.db2.gz UUXHKVFZHLLLJA-ZDUSSCGKSA-N 1 0 332.448 1.768 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Nc3ncccn3)C1)[C@H](O)CO2 ZINC000842617782 595144039 /nfs/dbraw/zinc/14/40/39/595144039.db2.gz WGUZXSRCLNTAKN-SWLSCSKDSA-N 1 0 328.372 1.294 20 10 EDCDRO CCN1C(=O)[C@@H]2C[N@H+](C/C=C/c3ccc(N(C)C)cc3)CCN2C1=O ZINC000835027979 595247653 /nfs/dbraw/zinc/24/76/53/595247653.db2.gz FRMOZULLIRHHTM-RTRPANQVSA-N 1 0 342.443 1.734 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000835043069 595252477 /nfs/dbraw/zinc/25/24/77/595252477.db2.gz ZZNKRGILMJEYLZ-DWTRPJMMSA-N 1 0 337.489 1.637 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnc3c(cnn3C)c2)cc1 ZINC000844162677 595287819 /nfs/dbraw/zinc/28/78/19/595287819.db2.gz LWWKGJXPMZKSBK-INIZCTEOSA-N 1 0 338.415 1.464 20 10 EDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000848565295 595405836 /nfs/dbraw/zinc/40/58/36/595405836.db2.gz IEKJKEQGZCXRRC-CQSZACIVSA-N 1 0 345.422 1.438 20 10 EDCDRO COc1ccc(O)c(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1 ZINC000849099020 595481420 /nfs/dbraw/zinc/48/14/20/595481420.db2.gz BDLSTCUNBGJMRD-UHFFFAOYSA-N 1 0 342.403 1.037 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1F ZINC000852799811 595548683 /nfs/dbraw/zinc/54/86/83/595548683.db2.gz VKMSMDYRAHUJSM-GFCCVEGCSA-N 1 0 331.395 1.622 20 10 EDCDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000849562761 595570254 /nfs/dbraw/zinc/57/02/54/595570254.db2.gz HAGGHNOAXPGMOO-HUUCEWRRSA-N 1 0 344.415 1.183 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000855234151 595638169 /nfs/dbraw/zinc/63/81/69/595638169.db2.gz TXOPVGCBVUYCPA-HOTGVXAUSA-N 1 0 347.459 1.358 20 10 EDCDRO C[C@@H]1CN(CC[NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858127138 595707109 /nfs/dbraw/zinc/70/71/09/595707109.db2.gz AUVBGNUNTRNRLT-LLVKDONJSA-N 1 0 329.238 1.965 20 10 EDCDRO CC[C@@H]1C[C@@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850091154 595735949 /nfs/dbraw/zinc/73/59/49/595735949.db2.gz ZEVHKMBXZLJJLJ-SJLPKXTDSA-N 1 0 333.476 1.974 20 10 EDCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000850342911 595813422 /nfs/dbraw/zinc/81/34/22/595813422.db2.gz OKPKVEFUAMXDOB-YJBOKZPZSA-N 1 0 338.423 1.803 20 10 EDCDRO [NH3+]CCCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851666009 595876082 /nfs/dbraw/zinc/87/60/82/595876082.db2.gz DYNJPXLDFYWTMR-UHFFFAOYSA-N 1 0 348.491 1.966 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000861562599 596030671 /nfs/dbraw/zinc/03/06/71/596030671.db2.gz SNBLBGSXSUJBNA-SWLSCSKDSA-N 1 0 336.411 1.212 20 10 EDCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854333270 596039947 /nfs/dbraw/zinc/03/99/47/596039947.db2.gz OOSPKDQFQUMSRK-DQOPKJQZSA-N 1 0 346.427 1.824 20 10 EDCDRO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@]1(C)CO ZINC000852700024 596229779 /nfs/dbraw/zinc/22/97/79/596229779.db2.gz AWEIYAKUAPJLHT-DNVCBOLYSA-N 1 0 333.476 1.661 20 10 EDCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nnn(CC(F)(F)F)n1 ZINC000852741488 596236938 /nfs/dbraw/zinc/23/69/38/596236938.db2.gz UJQOWPJYHZTRDM-UHFFFAOYSA-N 1 0 326.326 1.647 20 10 EDCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862475244 596334279 /nfs/dbraw/zinc/33/42/79/596334279.db2.gz DZSIYPMHJRMPES-AWEZNQCLSA-N 1 0 344.205 1.919 20 10 EDCDRO CCOc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c(O)c1 ZINC000862483192 596334361 /nfs/dbraw/zinc/33/43/61/596334361.db2.gz IGEIHUYYZCZTQI-UHFFFAOYSA-N 1 0 345.403 1.318 20 10 EDCDRO CCO[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000870933586 596411498 /nfs/dbraw/zinc/41/14/98/596411498.db2.gz QMCATLWTXNRPOV-XIRDDKMYSA-N 1 0 335.448 1.310 20 10 EDCDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000870956886 596418053 /nfs/dbraw/zinc/41/80/53/596418053.db2.gz NVPONYLHMUUZET-WKILWMFISA-N 1 0 331.460 1.781 20 10 EDCDRO O[C@@H](CNCc1ccc(N2CCSCC2)cc1)C[NH+]1CCCC1 ZINC000863551593 596615632 /nfs/dbraw/zinc/61/56/32/596615632.db2.gz OAIFCBZWLVCDSV-SFHVURJKSA-N 1 0 335.517 1.786 20 10 EDCDRO Fc1cc(C[NH2+]C2CN(c3ccncn3)C2)ccc1N1CCOCC1 ZINC000865748801 596669356 /nfs/dbraw/zinc/66/93/56/596669356.db2.gz CZLSLMHZVCFOJQ-UHFFFAOYSA-N 1 0 343.406 1.431 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1 ZINC000865770367 596676568 /nfs/dbraw/zinc/67/65/68/596676568.db2.gz KOMDLFHQDKGDDS-OAJJDEHYSA-N 1 0 331.416 1.577 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000868357413 596799556 /nfs/dbraw/zinc/79/95/56/596799556.db2.gz WYHRHODJBQAHIY-INIZCTEOSA-N 1 0 346.475 1.441 20 10 EDCDRO COCCn1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000876506611 597224300 /nfs/dbraw/zinc/22/43/00/597224300.db2.gz MJUMOKZNCMYNLO-QGZVFWFLSA-N 1 0 345.447 1.334 20 10 EDCDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876687855 597288495 /nfs/dbraw/zinc/28/84/95/597288495.db2.gz SIDBIJWXQGHRDQ-MRXNPFEDSA-N 1 0 333.476 1.146 20 10 EDCDRO C[C@@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)c1ccc(N2CCOCC2)cc1 ZINC000876740074 597315945 /nfs/dbraw/zinc/31/59/45/597315945.db2.gz GGIVJUUQDAIDGD-RDTXWAMCSA-N 1 0 333.432 1.079 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([S@](C)=O)CC[NH2+]CC2)c1 ZINC000876879637 597367356 /nfs/dbraw/zinc/36/73/56/597367356.db2.gz UHJBRTMVLWAWFC-BGJPBQGDSA-N 1 0 340.445 1.079 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C[NH3+])CCCOC3)C2)cc1 ZINC000876960322 597397565 /nfs/dbraw/zinc/39/75/65/597397565.db2.gz WXUSOGPBGPXLSX-KBXCAEBGSA-N 1 0 333.432 1.146 20 10 EDCDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1Cc2cccc(O)c2C1 ZINC000875395084 597412160 /nfs/dbraw/zinc/41/21/60/597412160.db2.gz WSLFHULIIZHNGA-SJLPKXTDSA-N 1 0 345.443 1.795 20 10 EDCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000877030633 597416785 /nfs/dbraw/zinc/41/67/85/597416785.db2.gz JIHNFVKXTCKSAQ-QGZVFWFLSA-N 1 0 338.473 1.436 20 10 EDCDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877093666 597430954 /nfs/dbraw/zinc/43/09/54/597430954.db2.gz UFILQFRWHUTEFL-KXBFYZLASA-N 1 0 334.460 1.931 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCNC(=O)C3)cc2)C1 ZINC000877146231 597442741 /nfs/dbraw/zinc/44/27/41/597442741.db2.gz QDKSYWKSYGMTHB-HOTGVXAUSA-N 1 0 344.459 1.147 20 10 EDCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000877489347 597524191 /nfs/dbraw/zinc/52/41/91/597524191.db2.gz MXTOIIDLRUKPOE-RBUKOAKNSA-N 1 0 334.460 1.931 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877625693 597542373 /nfs/dbraw/zinc/54/23/73/597542373.db2.gz PYZJVDJVFHRMLO-DOTOQJQBSA-N 1 0 345.399 1.360 20 10 EDCDRO OCCC1(CCO)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877690016 597547744 /nfs/dbraw/zinc/54/77/44/597547744.db2.gz CUBQLFNLXKIMIU-UHFFFAOYSA-N 1 0 348.487 1.870 20 10 EDCDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCCCC1 ZINC000879651936 597674500 /nfs/dbraw/zinc/67/45/00/597674500.db2.gz PYUUMTJAANJUMG-UONOGXRCSA-N 1 0 333.432 1.560 20 10 EDCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000883461103 597757332 /nfs/dbraw/zinc/75/73/32/597757332.db2.gz NSDZSGNBUHPQRZ-WBVHZDCISA-N 1 0 346.475 1.663 20 10 EDCDRO CCC[C@@H]([NH3+])c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094508 598074617 /nfs/dbraw/zinc/07/46/17/598074617.db2.gz KYGPSKPLPPLZQV-OAHLLOKOSA-N 1 0 330.436 1.460 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)cc1C ZINC000939211468 699359874 /nfs/dbraw/zinc/35/98/74/699359874.db2.gz SDJUHDUNWXWQCT-PBHICJAKSA-N 1 0 342.443 1.906 20 10 EDCDRO CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1[NH2+]CCO ZINC000996687997 702985219 /nfs/dbraw/zinc/98/52/19/702985219.db2.gz JMABLPLTCOQEHC-ZDUSSCGKSA-N 1 0 333.392 1.282 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1 ZINC000922636897 704165782 /nfs/dbraw/zinc/16/57/82/704165782.db2.gz LJEYHBYTENSAHF-VOTSOKGWSA-N 1 0 325.478 1.683 20 10 EDCDRO CCN1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000922638746 704168880 /nfs/dbraw/zinc/16/88/80/704168880.db2.gz IXTTTYJPDQYHND-SFHVURJKSA-N 1 0 331.460 1.748 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1C ZINC000998542727 705976461 /nfs/dbraw/zinc/97/64/61/705976461.db2.gz XNPKAHQPIMLLRV-QGZVFWFLSA-N 1 0 342.443 1.981 20 10 EDCDRO O=S1(=O)CCC(O)(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921772462 708009462 /nfs/dbraw/zinc/00/94/62/708009462.db2.gz FQEPMSFHBUSVPY-UHFFFAOYSA-N 1 0 325.430 1.041 20 10 EDCDRO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219977 /nfs/dbraw/zinc/21/99/77/250219977.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 1 0 346.519 1.589 20 10 EDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000377681100 250291040 /nfs/dbraw/zinc/29/10/40/250291040.db2.gz QXUGUUMGRREDPA-XZJROXQQSA-N 1 0 344.415 1.396 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000373218810 295004103 /nfs/dbraw/zinc/00/41/03/295004103.db2.gz VDRKTGHWDIKESV-GXTWGEPZSA-N 1 0 334.416 1.900 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000378441930 447429306 /nfs/dbraw/zinc/42/93/06/447429306.db2.gz LJTXQGMDOBVONW-CQSZACIVSA-N 1 0 328.434 1.303 20 10 EDCDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122413504 441848231 /nfs/dbraw/zinc/84/82/31/441848231.db2.gz WMJORHJQHVPALH-QGZVFWFLSA-N 1 0 336.432 1.550 20 10 EDCDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000153096003 442261647 /nfs/dbraw/zinc/26/16/47/442261647.db2.gz ZTRNCFVHJKOCGN-HNNXBMFYSA-N 1 0 347.459 1.456 20 10 EDCDRO CCN(CCC[NH2+][C@H](C)c1cc(OC)ccc1O)S(C)(=O)=O ZINC000194187550 442859895 /nfs/dbraw/zinc/85/98/95/442859895.db2.gz JYHMDOJWMWQUMM-GFCCVEGCSA-N 1 0 330.450 1.723 20 10 EDCDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(O)c1O ZINC000248765186 442924928 /nfs/dbraw/zinc/92/49/28/442924928.db2.gz RLOLTVJLLXPBOI-LSDHHAIUSA-N 1 0 342.395 1.463 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCO)cc2F)CC1 ZINC000264388738 443272856 /nfs/dbraw/zinc/27/28/56/443272856.db2.gz WHXUDSVRJVMOKB-UHFFFAOYSA-N 1 0 338.427 1.149 20 10 EDCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000282976690 443485915 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274613142 443608568 /nfs/dbraw/zinc/60/85/68/443608568.db2.gz KOJSKBWHZUCORN-CABCVRRESA-N 1 0 349.475 1.855 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274613146 443608650 /nfs/dbraw/zinc/60/86/50/443608650.db2.gz KOJSKBWHZUCORN-GJZGRUSLSA-N 1 0 349.475 1.855 20 10 EDCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccc(C)cc1O ZINC000280156405 443674832 /nfs/dbraw/zinc/67/48/32/443674832.db2.gz QMENQMNOTFNMBY-CQSZACIVSA-N 1 0 329.466 1.574 20 10 EDCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283673812 443687829 /nfs/dbraw/zinc/68/78/29/443687829.db2.gz ZBTYCCORXWBSIT-QGZVFWFLSA-N 1 0 346.475 1.359 20 10 EDCDRO Cc1cc(O)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1C ZINC000284953328 443795335 /nfs/dbraw/zinc/79/53/35/443795335.db2.gz BLYKWMFIPXCTDT-UHFFFAOYSA-N 1 0 326.462 1.770 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287900001 443759297 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CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298040050 444395202 /nfs/dbraw/zinc/39/52/02/444395202.db2.gz CTLLSBMDGMUFOU-MJGOQNOKSA-N 1 0 344.503 1.927 20 10 EDCDRO C[N@@H+]1CCCC12CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2 ZINC000364637835 445939864 /nfs/dbraw/zinc/93/98/64/445939864.db2.gz OWJSOUQZIYRQSB-UHFFFAOYSA-N 1 0 346.387 1.990 20 10 EDCDRO Cn1ccnc(N2CCC([NH2+]Cc3cc(Cl)ccc3O)CC2)c1=O ZINC000369890149 446164476 /nfs/dbraw/zinc/16/44/76/446164476.db2.gz WHGXIHFXLLYAIV-UHFFFAOYSA-N 1 0 348.834 1.898 20 10 EDCDRO CCc1noc([C@H]2C[C@H](O)CN2Cc2cc(OC)c(OC)cc2O)n1 ZINC000369783042 446153200 /nfs/dbraw/zinc/15/32/00/446153200.db2.gz HPQHMGMZTKTNNZ-NWDGAFQWSA-N 1 0 349.387 1.663 20 10 EDCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000365829421 446360143 /nfs/dbraw/zinc/36/01/43/446360143.db2.gz ISUPCXWIJWHROF-ZDUSSCGKSA-N 1 0 334.416 1.806 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000367632871 446568927 /nfs/dbraw/zinc/56/89/27/446568927.db2.gz LPPGCMDRNNMNNW-KRWDZBQOSA-N 1 0 333.388 1.306 20 10 EDCDRO CN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000592958824 449081732 /nfs/dbraw/zinc/08/17/32/449081732.db2.gz LJLBVAKVGCZPKV-AWEZNQCLSA-N 1 0 339.443 1.811 20 10 EDCDRO COCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC[NH2+]CC1 ZINC000649381131 452053618 /nfs/dbraw/zinc/05/36/18/452053618.db2.gz DEOZMNZDLMYMIR-UHFFFAOYSA-N 1 0 333.432 1.494 20 10 EDCDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000299311544 527473943 /nfs/dbraw/zinc/47/39/43/527473943.db2.gz DWECVHMSRVCJDN-OAHLLOKOSA-N 1 0 341.333 1.895 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cc1F ZINC000237267826 536688491 /nfs/dbraw/zinc/68/84/91/536688491.db2.gz JKUAKQPFHTWRHF-SFHVURJKSA-N 1 0 335.423 1.873 20 10 EDCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000759579163 580009515 /nfs/dbraw/zinc/00/95/15/580009515.db2.gz KERWHEUGVBHHPQ-LBPRGKRZSA-N 1 0 343.522 1.170 20 10 EDCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)O ZINC000733896592 578789150 /nfs/dbraw/zinc/78/91/50/578789150.db2.gz KUMRNCJHNYZCOC-UHFFFAOYSA-N 1 0 349.475 1.437 20 10 EDCDRO CNS(=O)(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000734847128 578840075 /nfs/dbraw/zinc/84/00/75/578840075.db2.gz DEUUEIDSROFDIL-UHFFFAOYSA-N 1 0 327.494 1.902 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)[C@@H]1CCCOC1)cc2=O ZINC000754561338 579906442 /nfs/dbraw/zinc/90/64/42/579906442.db2.gz DSIZBGRFNAXPAP-NWDGAFQWSA-N 1 0 348.403 1.516 20 10 EDCDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000765791196 580151424 /nfs/dbraw/zinc/15/14/24/580151424.db2.gz YYLYHJJUNPTARZ-IRXDYDNUSA-N 1 0 333.476 1.895 20 10 EDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000765796077 580151481 /nfs/dbraw/zinc/15/14/81/580151481.db2.gz MMBMMZJGTXIFBO-ZBFHGGJFSA-N 1 0 335.423 1.667 20 10 EDCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463339 580213880 /nfs/dbraw/zinc/21/38/80/580213880.db2.gz HHTNPWQEWZVJKF-ABAIWWIYSA-N 1 0 335.400 1.982 20 10 EDCDRO COc1ccc(N2CCC([NH2+]C3CCS(=O)(=O)CC3)CC2)cc1 ZINC000769132631 580229518 /nfs/dbraw/zinc/22/95/18/580229518.db2.gz HNCYIZIMUBKSBB-UHFFFAOYSA-N 1 0 338.473 1.831 20 10 EDCDRO CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771769603 580293309 /nfs/dbraw/zinc/29/33/09/580293309.db2.gz WUOWRRYXRDUPGL-RDTXWAMCSA-N 1 0 336.432 1.488 20 10 EDCDRO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258957 580387042 /nfs/dbraw/zinc/38/70/42/580387042.db2.gz CORJIKVKYHVXPB-HNNXBMFYSA-N 1 0 340.489 1.999 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000775369862 580389485 /nfs/dbraw/zinc/38/94/85/580389485.db2.gz ALETUAPFHYKROT-STQMWFEESA-N 1 0 325.405 1.608 20 10 EDCDRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000775403397 580390182 /nfs/dbraw/zinc/39/01/82/580390182.db2.gz HXVSEZLVXXFQKD-GDBMZVCRSA-N 1 0 346.475 1.340 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000775714987 580398254 /nfs/dbraw/zinc/39/82/54/580398254.db2.gz ACRYTKXGTJGCDE-INIZCTEOSA-N 1 0 343.393 1.938 20 10 EDCDRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834037 580402221 /nfs/dbraw/zinc/40/22/21/580402221.db2.gz JEHMUXFLXNEJCO-HNNXBMFYSA-N 1 0 348.491 1.776 20 10 EDCDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)ccc1N1CCCCC1 ZINC000775997353 580405959 /nfs/dbraw/zinc/40/59/59/580405959.db2.gz ZZOUVGFWAYIQRB-LSDHHAIUSA-N 1 0 335.404 1.513 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@H]2OCCOC)c1 ZINC000776812809 580429430 /nfs/dbraw/zinc/42/94/30/580429430.db2.gz NFJMRHLIWJMOAR-NVXWUHKLSA-N 1 0 325.405 1.701 20 10 EDCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000781429150 580549376 /nfs/dbraw/zinc/54/93/76/580549376.db2.gz YHMPVOSBXWXXEK-DZGCQCFKSA-N 1 0 326.412 1.974 20 10 EDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000783627492 580602815 /nfs/dbraw/zinc/60/28/15/580602815.db2.gz VWKWDTDGXDVSCX-INIZCTEOSA-N 1 0 338.473 1.438 20 10 EDCDRO COc1c(O)c(C[NH2+]C(C)(C)C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000793394040 580843343 /nfs/dbraw/zinc/84/33/43/580843343.db2.gz IJXOQWYDQONNNI-UHFFFAOYSA-N 1 0 337.376 1.800 20 10 EDCDRO COC(=O)[C@]12C[N@H+](Cc3cc(OC)c(C)cc3O)C[C@H]1COCC2 ZINC000794677434 580902511 /nfs/dbraw/zinc/90/25/11/580902511.db2.gz FUMXBAXHKLXCTR-KBXCAEBGSA-N 1 0 335.400 1.721 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCOC[C@@]34CCOC4)cc2)CC1 ZINC000799738047 581035730 /nfs/dbraw/zinc/03/57/30/581035730.db2.gz RZCZVBFSTOMRAR-IBGZPJMESA-N 1 0 331.460 1.430 20 10 EDCDRO C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]2C1 ZINC000892000713 590736955 /nfs/dbraw/zinc/73/69/55/590736955.db2.gz UNZZGQLAPMXWLH-CALCHBBNSA-N 1 0 328.460 1.990 20 10 EDCDRO Cc1nnc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891245759 591014697 /nfs/dbraw/zinc/01/46/97/591014697.db2.gz ITGQSZVEXATFTI-INIZCTEOSA-N 1 0 345.447 1.796 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2cn(C)nn2)[NH+](C)C)cc1 ZINC000891245291 591014796 /nfs/dbraw/zinc/01/47/96/591014796.db2.gz CBXQBJHJWQNYKG-KRWDZBQOSA-N 1 0 344.463 1.233 20 10 EDCDRO CCn1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891247314 591016819 /nfs/dbraw/zinc/01/68/19/591016819.db2.gz UAYMNUBJYGCGAX-SFHVURJKSA-N 1 0 343.475 1.931 20 10 EDCDRO CCn1cc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891249577 591018124 /nfs/dbraw/zinc/01/81/24/591018124.db2.gz UUJMAUKXWTZSFO-GOSISDBHSA-N 1 0 343.475 1.931 20 10 EDCDRO CCn1nnc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250529 591019032 /nfs/dbraw/zinc/01/90/32/591019032.db2.gz WSFDSAJMODGURO-MRXNPFEDSA-N 1 0 344.463 1.705 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cnn(C)c2)[NH+](C)C)cc1 ZINC000891256680 591022525 /nfs/dbraw/zinc/02/25/25/591022525.db2.gz ZUIMBOYNWDHOEX-HJLMUGLJSA-N 1 0 341.459 1.918 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000891607276 591148276 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C[C@@H]1CC[C@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098407 591688494 /nfs/dbraw/zinc/68/84/94/591688494.db2.gz NKZLWUNTZGVWIQ-JLSDUUJJSA-N 1 0 348.491 1.910 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c1OC ZINC000895369390 591732309 /nfs/dbraw/zinc/73/23/09/591732309.db2.gz RCYJAPYNNNFFIM-CMPLNLGQSA-N 1 0 329.418 1.465 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000898358324 591889820 /nfs/dbraw/zinc/88/98/20/591889820.db2.gz DHGBOFREDGYBLB-ZFWWWQNUSA-N 1 0 338.404 1.330 20 10 EDCDRO CN(C)c1ccc([C@H](CN2C(=O)[C@@H]3CCCN3C2=O)[NH+](C)C)cc1 ZINC000900186045 591933068 /nfs/dbraw/zinc/93/30/68/591933068.db2.gz VHXJSZSBSRKQMQ-HOTGVXAUSA-N 1 0 330.432 1.782 20 10 EDCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000900405591 592009707 /nfs/dbraw/zinc/00/97/07/592009707.db2.gz YVINMWUJKNUTON-IEBWSBKVSA-N 1 0 331.460 1.748 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)c2ccc[nH]2)[NH+](C)C)cc1 ZINC000903046442 592113563 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EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000818655005 593710470 /nfs/dbraw/zinc/71/04/70/593710470.db2.gz HBHOZXBGHWJBQV-YOEHRIQHSA-N 1 0 334.464 1.804 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000818655004 593710506 /nfs/dbraw/zinc/71/05/06/593710506.db2.gz HBHOZXBGHWJBQV-WMLDXEAASA-N 1 0 334.464 1.804 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)C3CC([NH3+])C3)C2)cc1 ZINC000818655011 593710517 /nfs/dbraw/zinc/71/05/17/593710517.db2.gz HNXKDQXQEIVREM-VQCLRJIVSA-N 1 0 332.448 1.653 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC3CC[NH2+]CC3)C2)cc1 ZINC000818656527 593710722 /nfs/dbraw/zinc/71/07/22/593710722.db2.gz WLJTUSHJHVMQOG-MRXNPFEDSA-N 1 0 346.475 1.820 20 10 EDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818972098 593731239 /nfs/dbraw/zinc/73/12/39/593731239.db2.gz DFRRMCBJIFLPGC-MAUKXSAKSA-N 1 0 338.448 1.025 20 10 EDCDRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996721 593733074 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EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000841938155 594985749 /nfs/dbraw/zinc/98/57/49/594985749.db2.gz IRLIVTOJXNTIJK-MRXNPFEDSA-N 1 0 346.475 1.664 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203124 595037255 /nfs/dbraw/zinc/03/72/55/595037255.db2.gz PCNFVRLCXUXTOS-DZKIICNBSA-N 1 0 346.475 1.434 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842203912 595037489 /nfs/dbraw/zinc/03/74/89/595037489.db2.gz YNBKCJPHAXJLIM-ZDUSSCGKSA-N 1 0 332.448 1.046 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203315 595037731 /nfs/dbraw/zinc/03/77/31/595037731.db2.gz QVQAOHAPLZGAPB-IJEWVQPXSA-N 1 0 346.475 1.516 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000842207182 595038765 /nfs/dbraw/zinc/03/87/65/595038765.db2.gz MOLIUONSZCJDJG-GOEBONIOSA-N 1 0 346.475 1.345 20 10 EDCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842210433 595040493 /nfs/dbraw/zinc/04/04/93/595040493.db2.gz AGXPBWOQJSTOQE-HOCLYGCPSA-N 1 0 344.459 1.099 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842230390 595046178 /nfs/dbraw/zinc/04/61/78/595046178.db2.gz VQLUHHONJMFQFM-GJZGRUSLSA-N 1 0 332.448 1.097 20 10 EDCDRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842263210 595059399 /nfs/dbraw/zinc/05/93/99/595059399.db2.gz MLKWCUSQDVPWEM-UHFFFAOYSA-N 1 0 334.464 1.345 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000842266860 595060425 /nfs/dbraw/zinc/06/04/25/595060425.db2.gz SVBVFDAZDWYBIP-ZBFHGGJFSA-N 1 0 347.459 1.778 20 10 EDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC(=O)NCC(F)(F)F ZINC000843350821 595083651 /nfs/dbraw/zinc/08/36/51/595083651.db2.gz ZELKYLUNSZHMNJ-UHFFFAOYSA-N 1 0 344.337 1.286 20 10 EDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846162131 595162391 /nfs/dbraw/zinc/16/23/91/595162391.db2.gz BCRNUMYXIIGNEG-XNRPHZJLSA-N 1 0 325.405 1.872 20 10 EDCDRO CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000846183594 595167330 /nfs/dbraw/zinc/16/73/30/595167330.db2.gz HRHGEAVNVWRJET-GOEBONIOSA-N 1 0 325.478 1.827 20 10 EDCDRO CN(C)C(=O)CC[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835028614 595247330 /nfs/dbraw/zinc/24/73/30/595247330.db2.gz NFZUDWSHWMIJIZ-AATRIKPKSA-N 1 0 344.503 1.862 20 10 EDCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000835026409 595247590 /nfs/dbraw/zinc/24/75/90/595247590.db2.gz TUBCSVWIBGUFHW-VZSQWMKGSA-N 1 0 333.476 1.391 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1F ZINC000843065571 595278318 /nfs/dbraw/zinc/27/83/18/595278318.db2.gz NTOZWQNYMAUVOH-OAHLLOKOSA-N 1 0 334.439 1.288 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c(O)c1 ZINC000843065900 595279111 /nfs/dbraw/zinc/27/91/11/595279111.db2.gz RCTWTWOYXWKWIE-HNNXBMFYSA-N 1 0 333.432 1.187 20 10 EDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000844173702 595291499 /nfs/dbraw/zinc/29/14/99/595291499.db2.gz RDEYIBUVKGCGEJ-HNAYVOBHSA-N 1 0 345.487 1.900 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3([NH3+])CCCC3)cc2)C1 ZINC000844176697 595293094 /nfs/dbraw/zinc/29/30/94/595293094.db2.gz UQTVJVROYYARNJ-HNNXBMFYSA-N 1 0 344.459 1.276 20 10 EDCDRO C[NH2+]C[C@H]1CCCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844220317 595305654 /nfs/dbraw/zinc/30/56/54/595305654.db2.gz CYFSYHZTBWYRHN-QGZVFWFLSA-N 1 0 346.475 1.028 20 10 EDCDRO COCC[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844927439 595415722 /nfs/dbraw/zinc/41/57/22/595415722.db2.gz NMDDZQPZWTXJPK-UHFFFAOYSA-N 1 0 341.839 1.956 20 10 EDCDRO CCc1cccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c1O ZINC000848903200 595465130 /nfs/dbraw/zinc/46/51/30/595465130.db2.gz YSLPZWXYJXDNGY-UHFFFAOYSA-N 1 0 345.447 1.441 20 10 EDCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c1O ZINC000848916459 595467279 /nfs/dbraw/zinc/46/72/79/595467279.db2.gz UREPPRSDCGZCMT-UHFFFAOYSA-N 1 0 327.446 1.638 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)c2ccc(F)cc2F)cc1 ZINC000852792662 595544769 /nfs/dbraw/zinc/54/47/69/595544769.db2.gz ZFIKPEZXPGESOJ-IAGOWNOFSA-N 1 0 348.397 1.847 20 10 EDCDRO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC000852841076 595570368 /nfs/dbraw/zinc/57/03/68/595570368.db2.gz WKQSBYQXIBKAJL-UHFFFAOYSA-N 1 0 349.456 1.136 20 10 EDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)[NH3+] ZINC000852868509 595588457 /nfs/dbraw/zinc/58/84/57/595588457.db2.gz HPGDKTFQIQLFQD-RDTXWAMCSA-N 1 0 333.476 1.883 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000850846310 595652891 /nfs/dbraw/zinc/65/28/91/595652891.db2.gz LZWLITVDMUODKH-OAHLLOKOSA-N 1 0 330.432 1.731 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000858152862 595714266 /nfs/dbraw/zinc/71/42/66/595714266.db2.gz BUEGMJQBAADJNK-NSHDSACASA-N 1 0 347.431 1.402 20 10 EDCDRO O=[N+]([O-])c1cc(CN2CCOC3(C[NH2+]C3)C2)ccc1N1CCCCC1 ZINC000853249662 595719614 /nfs/dbraw/zinc/71/96/14/595719614.db2.gz SWBMTLLLWWELPG-UHFFFAOYSA-N 1 0 346.431 1.759 20 10 EDCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858292619 595754808 /nfs/dbraw/zinc/75/48/08/595754808.db2.gz BTQJJXWLHVOQAZ-UHFFFAOYSA-N 1 0 343.374 1.190 20 10 EDCDRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858469668 595804213 /nfs/dbraw/zinc/80/42/13/595804213.db2.gz XXALTDHPLAGWHO-DOPJRALCSA-N 1 0 338.423 1.853 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)ccc1O ZINC000858489027 595808212 /nfs/dbraw/zinc/80/82/12/595808212.db2.gz QESVOUWYZTXGTJ-DGCLKSJQSA-N 1 0 342.378 1.899 20 10 EDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487072 595842558 /nfs/dbraw/zinc/84/25/58/595842558.db2.gz FEJRFWIITFVUIE-KGLIPLIRSA-N 1 0 326.462 1.687 20 10 EDCDRO C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000851655077 595869557 /nfs/dbraw/zinc/86/95/57/595869557.db2.gz LDBXAXMIGMZODL-CQSZACIVSA-N 1 0 334.464 1.963 20 10 EDCDRO O=C(NCC12CC(C1)C[NH2+]2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000851676901 595880967 /nfs/dbraw/zinc/88/09/67/595880967.db2.gz KQUNQHJZWHMZQF-NLGTXKQRSA-N 1 0 345.443 1.835 20 10 EDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000851841321 595943481 /nfs/dbraw/zinc/94/34/81/595943481.db2.gz PBCJOQHHAXNCRI-CQSZACIVSA-N 1 0 334.416 1.767 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)C2)cc1 ZINC000854296838 596024790 /nfs/dbraw/zinc/02/47/90/596024790.db2.gz HBGDZVFKMZQCFP-CQSZACIVSA-N 1 0 334.464 1.913 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000861558951 596029325 /nfs/dbraw/zinc/02/93/25/596029325.db2.gz KPRUBERRNMOVKN-XJKSGUPXSA-N 1 0 334.489 1.789 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CC1(C)COC1)cc2=O ZINC000859569479 596134812 /nfs/dbraw/zinc/13/48/12/596134812.db2.gz AFUQRKPOHYDUFN-UHFFFAOYSA-N 1 0 334.376 1.080 20 10 EDCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000857101895 596157999 /nfs/dbraw/zinc/15/79/99/596157999.db2.gz SKMUFMJTMBFNQA-LBPRGKRZSA-N 1 0 338.427 1.323 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)cc2=O ZINC000859827999 596203909 /nfs/dbraw/zinc/20/39/09/596203909.db2.gz VMKPJVUPPFZVBN-VEABSNGSSA-N 1 0 348.403 1.513 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c(O)c1C ZINC000866551834 596247050 /nfs/dbraw/zinc/24/70/50/596247050.db2.gz CRSDPLUSPKYHBD-KBXCAEBGSA-N 1 0 334.416 1.287 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000866670109 596286842 /nfs/dbraw/zinc/28/68/42/596286842.db2.gz AQQYLGGDJVEFCQ-QGZVFWFLSA-N 1 0 332.492 1.914 20 10 EDCDRO CN(C)c1ccc(CNS(=O)(=O)CCC[NH+]2CCCC2)cc1F ZINC000866672396 596287503 /nfs/dbraw/zinc/28/75/03/596287503.db2.gz LIIBUSZMKVZRKJ-UHFFFAOYSA-N 1 0 343.468 1.797 20 10 EDCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862396741 596320446 /nfs/dbraw/zinc/32/04/46/596320446.db2.gz YAHKAECMMXCRLR-CHWSQXEVSA-N 1 0 327.419 1.918 20 10 EDCDRO Cc1cc(Br)cc(C[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000862531959 596340229 /nfs/dbraw/zinc/34/02/29/596340229.db2.gz MOEAFSPRLODEQP-CYBMUJFWSA-N 1 0 329.238 1.619 20 10 EDCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000870869387 596384325 /nfs/dbraw/zinc/38/43/25/596384325.db2.gz QILXPELJOJAXRX-IQUTYRLHSA-N 1 0 347.434 1.530 20 10 EDCDRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000863748232 596672264 /nfs/dbraw/zinc/67/22/64/596672264.db2.gz AVZYUBXEUBPRHG-UHFFFAOYSA-N 1 0 347.459 1.861 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c1O ZINC000872262495 596859751 /nfs/dbraw/zinc/85/97/51/596859751.db2.gz GIEIVKZFQSVIDY-OAHLLOKOSA-N 1 0 342.779 1.365 20 10 EDCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCNC(=O)C2)c1O ZINC000872825574 597086965 /nfs/dbraw/zinc/08/69/65/597086965.db2.gz PIKFDUPYLZLBAG-UHFFFAOYSA-N 1 0 328.368 1.654 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ncccn3)cc2)CC1 ZINC000888712017 597146754 /nfs/dbraw/zinc/14/67/54/597146754.db2.gz ZEFQGQPAZAXWQV-UHFFFAOYSA-N 1 0 326.404 1.550 20 10 EDCDRO COc1ccc(C[NH2+][C@@H](C)CN2CCOCC2)cc1Cn1cccn1 ZINC000873011845 597159593 /nfs/dbraw/zinc/15/95/93/597159593.db2.gz HZYTZWZRRRVRLB-INIZCTEOSA-N 1 0 344.459 1.750 20 10 EDCDRO COc1ccc(C[NH2+][C@H](C)Cn2cncn2)cc1Cn1cccn1 ZINC000873025649 597163636 /nfs/dbraw/zinc/16/36/36/597163636.db2.gz DKRUURGAINCVMW-CQSZACIVSA-N 1 0 326.404 1.710 20 10 EDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000876732155 597311671 /nfs/dbraw/zinc/31/16/71/597311671.db2.gz XOUFGSMGVCXYJT-REUDQUMMSA-N 1 0 347.434 1.690 20 10 EDCDRO O=C1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCCN1 ZINC000876965281 597400222 /nfs/dbraw/zinc/40/02/22/597400222.db2.gz GDNAQIAAHOYHPM-KRWDZBQOSA-N 1 0 331.460 1.654 20 10 EDCDRO C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3[O-])C2)CC1 ZINC000877027422 597415970 /nfs/dbraw/zinc/41/59/70/597415970.db2.gz NSQGCXKSJJYEGG-ZDUSSCGKSA-N 1 0 325.403 1.929 20 10 EDCDRO CCC[NH2+][C@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227304 597467768 /nfs/dbraw/zinc/46/77/68/597467768.db2.gz HYMMVJRADQIWJI-CQSZACIVSA-N 1 0 335.448 1.741 20 10 EDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227501 597467801 /nfs/dbraw/zinc/46/78/01/597467801.db2.gz LDEDXZGVTGZOGH-GUYCJALGSA-N 1 0 335.448 1.726 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CCCCC[NH3+])CC2)c(OC)c1 ZINC000877227941 597468345 /nfs/dbraw/zinc/46/83/45/597468345.db2.gz QXHRWURASVIZIZ-UHFFFAOYSA-N 1 0 335.448 1.872 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C3([NH3+])CCCC3)CC2)c(OC)c1 ZINC000877228378 597468416 /nfs/dbraw/zinc/46/84/16/597468416.db2.gz YRQMKEYDHFGLPM-UHFFFAOYSA-N 1 0 333.432 1.624 20 10 EDCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@](O)(C(F)F)C3)cc2)CC1 ZINC000877563948 597536355 /nfs/dbraw/zinc/53/63/55/597536355.db2.gz RPYJGZJDYNQNET-QGZVFWFLSA-N 1 0 326.387 1.850 20 10 EDCDRO CONC(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877785225 597556305 /nfs/dbraw/zinc/55/63/05/597556305.db2.gz UAXKGLXZKOWQPI-UHFFFAOYSA-N 1 0 347.459 1.537 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCn3cccn3)cc2)CC1 ZINC000883415552 597739273 /nfs/dbraw/zinc/73/92/73/597739273.db2.gz YOUDCTNZQJKNCA-UHFFFAOYSA-N 1 0 342.447 1.134 20 10 EDCDRO Cc1cc(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000881849724 597753256 /nfs/dbraw/zinc/75/32/56/597753256.db2.gz VAANXQTVSCRWKM-UHFFFAOYSA-N 1 0 344.415 1.430 20 10 EDCDRO COC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000883455701 597754756 /nfs/dbraw/zinc/75/47/56/597754756.db2.gz IWAWRQVGPQBDKY-SFHVURJKSA-N 1 0 348.491 1.909 20 10 EDCDRO CC[C@H](C)CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664546 598016065 /nfs/dbraw/zinc/01/60/65/598016065.db2.gz XAINULFECKXWRY-HNNXBMFYSA-N 1 0 339.505 1.904 20 10 EDCDRO Cc1cc(Cn2cc(C[C@@H]([NH3+])CO)nn2)ccc1N1CCCCC1 ZINC000881378442 598136304 /nfs/dbraw/zinc/13/63/04/598136304.db2.gz CFVFPNREMWGGJM-MRXNPFEDSA-N 1 0 329.448 1.487 20 10 EDCDRO COc1ccc(N2CCCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000917016716 696878115 /nfs/dbraw/zinc/87/81/15/696878115.db2.gz CCORVVQVEDZOLB-SFHVURJKSA-N 1 0 333.476 1.664 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)NC2CN(C[C@H]3CCCOC3)C2)cc1 ZINC001031464435 697144242 /nfs/dbraw/zinc/14/42/42/697144242.db2.gz RRSWGSSBFXITFD-GFCCVEGCSA-N 1 0 345.403 1.690 20 10 EDCDRO CCO[C@H]1[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000918904805 697222185 /nfs/dbraw/zinc/22/21/85/697222185.db2.gz BNQFQIXNHBHXKD-BMGDILEWSA-N 1 0 331.460 1.726 20 10 EDCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237668484 698279131 /nfs/dbraw/zinc/27/91/31/698279131.db2.gz PUVSSXFIRFNEEH-OAHLLOKOSA-N 1 0 337.439 1.473 20 10 EDCDRO CC[NH+]1CC(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)C1 ZINC000941681156 701620760 /nfs/dbraw/zinc/62/07/60/701620760.db2.gz LKEVMFJYZQNREW-UHFFFAOYSA-N 1 0 344.419 1.311 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ncn(C)n3)C2)cc1C ZINC000999072752 706493091 /nfs/dbraw/zinc/49/30/91/706493091.db2.gz JBZUZXMLXQMDRD-HNNXBMFYSA-N 1 0 343.431 1.527 20 10 EDCDRO CN1CCN(c2ncc(C[N@H+](C)Cc3ccccc3O)cn2)CC1 ZINC000091974460 530015675 /nfs/dbraw/zinc/01/56/75/530015675.db2.gz NSVUAKFPRBYHQY-UHFFFAOYSA-N 1 0 327.432 1.566 20 10 EDCDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000237629766 249303215 /nfs/dbraw/zinc/30/32/15/249303215.db2.gz IEQUBJZKBUOATI-UHFFFAOYSA-N 1 0 328.368 1.949 20 10 EDCDRO CC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[NH+](C)C ZINC000268734334 249374530 /nfs/dbraw/zinc/37/45/30/249374530.db2.gz MXIOJBRYSWKUME-MRXNPFEDSA-N 1 0 337.439 1.743 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]CCn1cc(Br)cn1)OCO2 ZINC000285362692 249629327 /nfs/dbraw/zinc/62/93/27/249629327.db2.gz BNJNEGBQEBPBOM-UHFFFAOYSA-N 1 0 340.177 1.870 20 10 EDCDRO Nc1ccc(CCNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)cc1 ZINC000361725177 250176461 /nfs/dbraw/zinc/17/64/61/250176461.db2.gz COLQHJBJBIAIID-UHFFFAOYSA-N 1 0 341.459 1.924 20 10 EDCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C[C@@H]1C ZINC000372445222 250218909 /nfs/dbraw/zinc/21/89/09/250218909.db2.gz FEYOEZXYVBRLPP-LSDHHAIUSA-N 1 0 346.475 1.275 20 10 EDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372854219 250227184 /nfs/dbraw/zinc/22/71/84/250227184.db2.gz BWFPQEMJFZGFEP-GOSISDBHSA-N 1 0 328.460 1.293 20 10 EDCDRO COc1ccc(N2CCC(N(C)C(=O)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000378207221 250298714 /nfs/dbraw/zinc/29/87/14/250298714.db2.gz CDKBHNRKWSFHHQ-KRWDZBQOSA-N 1 0 333.432 1.111 20 10 EDCDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1 ZINC000076602531 441665176 /nfs/dbraw/zinc/66/51/76/441665176.db2.gz BHRVDYYQQJZAGE-UHFFFAOYSA-N 1 0 341.411 1.751 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000177355615 442331419 /nfs/dbraw/zinc/33/14/19/442331419.db2.gz KNMNSQRSTOWMGU-KRWDZBQOSA-N 1 0 347.459 1.032 20 10 EDCDRO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CCO1 ZINC000180766344 442657917 /nfs/dbraw/zinc/65/79/17/442657917.db2.gz ROEQAOOJNSNYLJ-KQIUPUNMSA-N 1 0 346.427 1.823 20 10 EDCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000187177783 442658758 /nfs/dbraw/zinc/65/87/58/442658758.db2.gz CKFSBGJADGLDJI-QMMMGPOBSA-N 1 0 337.239 1.355 20 10 EDCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000185050203 443125590 /nfs/dbraw/zinc/12/55/90/443125590.db2.gz LAZSBHXJUGARLO-ZDUSSCGKSA-N 1 0 341.411 1.767 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282619891 443391429 /nfs/dbraw/zinc/39/14/29/443391429.db2.gz IYNKUBSGOQBPCH-UHFFFAOYSA-N 1 0 325.405 1.439 20 10 EDCDRO OC[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOc2ccccc21 ZINC000282528882 443365409 /nfs/dbraw/zinc/36/54/09/443365409.db2.gz YWMCKXGGTZRAPY-SFHVURJKSA-N 1 0 329.352 1.881 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCOC3(CCC3)C1)cc2=O ZINC000270834657 443481853 /nfs/dbraw/zinc/48/18/53/443481853.db2.gz DOSODGJBNNUZFH-UHFFFAOYSA-N 1 0 346.387 1.367 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c1 ZINC000271800462 443513823 /nfs/dbraw/zinc/51/38/23/443513823.db2.gz KPBIZSGKYKLJOF-LLVKDONJSA-N 1 0 330.388 1.602 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1F ZINC000271871383 443516970 /nfs/dbraw/zinc/51/69/70/443516970.db2.gz MRTMQOFUJGSUEO-UHFFFAOYSA-N 1 0 334.395 1.502 20 10 EDCDRO C[N@H+]1CC=C(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000272097322 443525840 /nfs/dbraw/zinc/52/58/40/443525840.db2.gz OHZUAMXOIWUIAE-UHFFFAOYSA-N 1 0 344.459 1.584 20 10 EDCDRO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604774 443582585 /nfs/dbraw/zinc/58/25/85/443582585.db2.gz SXVXLCDFQIVSBG-ZDUSSCGKSA-N 1 0 336.436 1.977 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cncnc3)cc2F)CC1 ZINC000273698468 443585032 /nfs/dbraw/zinc/58/50/32/443585032.db2.gz CJXDYJRTDXVVIR-UHFFFAOYSA-N 1 0 343.406 1.688 20 10 EDCDRO [NH3+]CCc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000279868740 443632978 /nfs/dbraw/zinc/63/29/78/443632978.db2.gz CWSCQHIWPRREJN-UHFFFAOYSA-N 1 0 346.456 1.411 20 10 EDCDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283443210 443634747 /nfs/dbraw/zinc/63/47/47/443634747.db2.gz KAEJHCUYMOMCFL-KRWDZBQOSA-N 1 0 346.475 1.312 20 10 EDCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274941723 443616680 /nfs/dbraw/zinc/61/66/80/443616680.db2.gz QLQGPMMOXHIYOH-UHFFFAOYSA-N 1 0 329.400 1.922 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCN(c3cncc4ncnn43)CC2)c1 ZINC000275896400 443646074 /nfs/dbraw/zinc/64/60/74/443646074.db2.gz ZYTVCGXHWMEMLU-UHFFFAOYSA-N 1 0 340.387 1.161 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)N(C)OC)CC2)cc1OC ZINC000291056608 443743090 /nfs/dbraw/zinc/74/30/90/443743090.db2.gz HNJDXVBZPRNDPU-UHFFFAOYSA-N 1 0 338.404 1.641 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292904946 443875230 /nfs/dbraw/zinc/87/52/30/443875230.db2.gz DTJGZOWETUHXEZ-GBNVKOLXSA-N 1 0 341.455 1.747 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285491495 444004793 /nfs/dbraw/zinc/00/47/93/444004793.db2.gz DQULIKCNUDJGSS-INIZCTEOSA-N 1 0 325.478 1.608 20 10 EDCDRO COc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000285441829 443985418 /nfs/dbraw/zinc/98/54/18/443985418.db2.gz IJSMIAPFJAOKHL-GXTWGEPZSA-N 1 0 342.461 1.598 20 10 EDCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294682299 444135787 /nfs/dbraw/zinc/13/57/87/444135787.db2.gz AEAVUXIEGYTXDZ-ZDUSSCGKSA-N 1 0 337.439 1.791 20 10 EDCDRO CCOCc1cc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)ccc1OC ZINC000294963076 444161971 /nfs/dbraw/zinc/16/19/71/444161971.db2.gz FCVOLNFNMIACIY-HNNXBMFYSA-N 1 0 344.477 1.649 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000289577761 444175007 /nfs/dbraw/zinc/17/50/07/444175007.db2.gz SXSGFNSNDXKXOX-UHFFFAOYSA-N 1 0 328.434 1.162 20 10 EDCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000289753459 444199033 /nfs/dbraw/zinc/19/90/33/444199033.db2.gz WMKVZWJPOAWEIO-UHFFFAOYSA-N 1 0 325.478 1.658 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1OC ZINC000290117540 444244383 /nfs/dbraw/zinc/24/43/83/444244383.db2.gz IRKSADIPAPDWDC-ACJLOTCBSA-N 1 0 331.368 1.994 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCN1c1cccnn1)OCO2 ZINC000363467938 445816505 /nfs/dbraw/zinc/81/65/05/445816505.db2.gz NFSWKPBEQKTNCY-ZDUSSCGKSA-N 1 0 328.372 1.670 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000363857540 445879628 /nfs/dbraw/zinc/87/96/28/445879628.db2.gz QKJPBGYELLMNCO-IUUKEHGRSA-N 1 0 347.415 1.772 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670834 445943020 /nfs/dbraw/zinc/94/30/20/445943020.db2.gz FCZPZNBTZAURQO-AWEZNQCLSA-N 1 0 329.404 1.537 20 10 EDCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCCCN12 ZINC000374582402 446378074 /nfs/dbraw/zinc/37/80/74/446378074.db2.gz DDJLHHKIRPZFBL-ZWKOTPCHSA-N 1 0 329.444 1.766 20 10 EDCDRO COc1ccc(N2CCC([NH2+]C[C@H](CO)[C@@H]3CCOC3)CC2)cc1 ZINC000366880050 446394855 /nfs/dbraw/zinc/39/48/55/446394855.db2.gz PECTZWJUQHTIQW-HZPDHXFCSA-N 1 0 334.460 1.899 20 10 EDCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CO)[C@@H]3CCOC3)CC2)cc1 ZINC000366880048 446394896 /nfs/dbraw/zinc/39/48/96/446394896.db2.gz PECTZWJUQHTIQW-CVEARBPZSA-N 1 0 334.460 1.899 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC000367452742 446549026 /nfs/dbraw/zinc/54/90/26/446549026.db2.gz VYTZSVSOMVOWKD-LJQANCHMSA-N 1 0 331.460 1.966 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000367700206 446576596 /nfs/dbraw/zinc/57/65/96/446576596.db2.gz BORHBOCWJIPZOV-VIFPVBQESA-N 1 0 343.221 1.861 20 10 EDCDRO CCc1noc([C@@]2(O)CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000368136840 446661726 /nfs/dbraw/zinc/66/17/26/446661726.db2.gz WLXMLPZHPQBYEB-QGZVFWFLSA-N 1 0 349.387 1.448 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000371228324 446702735 /nfs/dbraw/zinc/70/27/35/446702735.db2.gz XCEVPHAUYDIOEY-GOSISDBHSA-N 1 0 348.466 1.678 20 10 EDCDRO Cc1ccc(O)c(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000093843550 534193885 /nfs/dbraw/zinc/19/38/85/534193885.db2.gz YUZHOMIAQHKEBW-MRXNPFEDSA-N 1 0 331.460 1.829 20 10 EDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000106908760 528365109 /nfs/dbraw/zinc/36/51/09/528365109.db2.gz CVFZBPVTWYHLSJ-KRWDZBQOSA-N 1 0 337.439 1.865 20 10 EDCDRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000743641057 579486620 /nfs/dbraw/zinc/48/66/20/579486620.db2.gz FCMBQZDQRWRTHF-ZDUSSCGKSA-N 1 0 339.436 1.729 20 10 EDCDRO COc1cc(Cl)cc(C[N@H+](CCO)CCN2CCOCC2)c1O ZINC000761192385 580050880 /nfs/dbraw/zinc/05/08/80/580050880.db2.gz MQRIARZVMSSVCX-UHFFFAOYSA-N 1 0 344.839 1.181 20 10 EDCDRO Fc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1N1CCOCC1 ZINC000777222058 580437534 /nfs/dbraw/zinc/43/75/34/580437534.db2.gz QGOYUOMWDLNDLS-OAHLLOKOSA-N 1 0 331.395 1.701 20 10 EDCDRO C[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1=O ZINC000777674218 580448292 /nfs/dbraw/zinc/44/82/92/580448292.db2.gz XEJIVHQOACZYSR-AWEZNQCLSA-N 1 0 342.443 1.659 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCO1 ZINC000753664914 579884588 /nfs/dbraw/zinc/88/45/88/579884588.db2.gz RANVMUKBMBTQPX-WMLDXEAASA-N 1 0 338.473 1.579 20 10 EDCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000754725726 579910198 /nfs/dbraw/zinc/91/01/98/579910198.db2.gz AOTFEGXTTWYQDI-UHFFFAOYSA-N 1 0 340.427 1.825 20 10 EDCDRO C[C@@H]([NH2+]CCn1nc2ccccn2c1=O)c1ccc(N(C)C)cc1 ZINC000765399121 580141082 /nfs/dbraw/zinc/14/10/82/580141082.db2.gz AVUGHFZAHLVXRZ-CQSZACIVSA-N 1 0 325.416 1.913 20 10 EDCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978071 580155644 /nfs/dbraw/zinc/15/56/44/580155644.db2.gz CWUJBIBOLJUMDA-HNNXBMFYSA-N 1 0 326.462 1.436 20 10 EDCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768445109 580213062 /nfs/dbraw/zinc/21/30/62/580213062.db2.gz QDJLDJDROYNXSE-CXAGYDPISA-N 1 0 348.443 1.946 20 10 EDCDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)[C@@H]2C1 ZINC000768465442 580214066 /nfs/dbraw/zinc/21/40/66/580214066.db2.gz MRJKDIWMNVNDLX-WNOSKKOXSA-N 1 0 335.400 1.586 20 10 EDCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)cn1 ZINC000768465343 580214097 /nfs/dbraw/zinc/21/40/97/580214097.db2.gz HARUVFMKMSTMAW-SJCJKPOMSA-N 1 0 329.400 1.616 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(CCOCC3)CC1)[C@H](O)CO2 ZINC000768912083 580224105 /nfs/dbraw/zinc/22/41/05/580224105.db2.gz HLKQINRUIANSLG-MRXNPFEDSA-N 1 0 335.400 1.590 20 10 EDCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)S(C)(=O)=O ZINC000773101215 580326995 /nfs/dbraw/zinc/32/69/95/580326995.db2.gz AUACFSROVVRZLX-OLZOCXBDSA-N 1 0 344.452 1.746 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc1 ZINC000773773513 580345868 /nfs/dbraw/zinc/34/58/68/580345868.db2.gz MYWVWDJIKSPMEG-INIZCTEOSA-N 1 0 325.478 1.656 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CC(=O)N[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775665934 580396688 /nfs/dbraw/zinc/39/66/88/580396688.db2.gz OGQYOFHFNMYGLS-OALUTQOASA-N 1 0 342.487 1.681 20 10 EDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000776867700 580430241 /nfs/dbraw/zinc/43/02/41/580430241.db2.gz DZPUZZNFJFGSMZ-XGWLTEMNSA-N 1 0 325.405 1.872 20 10 EDCDRO CC[C@H](CO)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000779585364 580490612 /nfs/dbraw/zinc/49/06/12/580490612.db2.gz ODEYVWJZNZYZAV-MRXNPFEDSA-N 1 0 349.475 1.342 20 10 EDCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000793594207 580848542 /nfs/dbraw/zinc/84/85/42/580848542.db2.gz XCGHVOQNVKWJRO-IRXDYDNUSA-N 1 0 333.476 1.410 20 10 EDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000793793216 580856428 /nfs/dbraw/zinc/85/64/28/580856428.db2.gz ISBJLLPWXDMSKH-CQSZACIVSA-N 1 0 334.464 1.215 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1 ZINC000800892200 581060990 /nfs/dbraw/zinc/06/09/90/581060990.db2.gz YJSIWHZCXFISHU-UHFFFAOYSA-N 1 0 325.478 1.703 20 10 EDCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000892038674 590765322 /nfs/dbraw/zinc/76/53/22/590765322.db2.gz GZVJSJDQONDBIL-INIZCTEOSA-N 1 0 332.448 1.269 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[NH+](C)C)cc1 ZINC000891245774 591014651 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CCOC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121973 593740056 /nfs/dbraw/zinc/74/00/56/593740056.db2.gz PVLWOOPJSIQVSS-OAHLLOKOSA-N 1 0 326.412 1.274 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000819164850 593742213 /nfs/dbraw/zinc/74/22/13/593742213.db2.gz MXDLGRGKHPLFLO-HUUCEWRRSA-N 1 0 329.400 1.783 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000819163938 593742245 /nfs/dbraw/zinc/74/22/45/593742245.db2.gz CMPMCOCXGUFFAS-HUUCEWRRSA-N 1 0 329.400 1.783 20 10 EDCDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccccc1O ZINC000820067638 593788110 /nfs/dbraw/zinc/78/81/10/593788110.db2.gz AXRNPMYZUFDBJA-HNNXBMFYSA-N 1 0 336.480 1.806 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000840481632 593830714 /nfs/dbraw/zinc/83/07/14/593830714.db2.gz KVASDRVZVADVIF-DNVCBOLYSA-N 1 0 348.491 1.358 20 10 EDCDRO COC(OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000821064844 593957602 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CC1CCN(c2ccc(CNC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000828987700 594543767 /nfs/dbraw/zinc/54/37/67/594543767.db2.gz CHFBESWORNXXRH-UHFFFAOYSA-N 1 0 331.460 1.918 20 10 EDCDRO COc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC000829296006 594594030 /nfs/dbraw/zinc/59/40/30/594594030.db2.gz DJDZVYOFQVTPQR-UHFFFAOYSA-N 1 0 341.415 1.167 20 10 EDCDRO c1cc(N2CCOCC2)ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827114832 594643453 /nfs/dbraw/zinc/64/34/53/594643453.db2.gz XIZZRHYWEZWAPV-LJQANCHMSA-N 1 0 331.460 1.430 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000827320749 594660940 /nfs/dbraw/zinc/66/09/40/594660940.db2.gz NXYQUQWGKLGMDY-SJLPKXTDSA-N 1 0 331.485 1.856 20 10 EDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469319 594675128 /nfs/dbraw/zinc/67/51/28/594675128.db2.gz URQLCQRHIYGSHY-ZFWWWQNUSA-N 1 0 344.459 1.145 20 10 EDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469316 594675137 /nfs/dbraw/zinc/67/51/37/594675137.db2.gz URQLCQRHIYGSHY-DZGCQCFKSA-N 1 0 344.459 1.145 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C2)cc1 ZINC000831748597 594699051 /nfs/dbraw/zinc/69/90/51/594699051.db2.gz HPPIMKNPUYWWSZ-DKSSEZFCSA-N 1 0 329.444 1.637 20 10 EDCDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272990 594739631 /nfs/dbraw/zinc/73/96/31/594739631.db2.gz KZIUGOBMEYOPJW-WBMJQRKESA-N 1 0 344.415 1.280 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(N)nc(Cl)c2)cc1 ZINC000832280771 594739966 /nfs/dbraw/zinc/73/99/66/594739966.db2.gz QVGGVLDKVBUSGA-CYBMUJFWSA-N 1 0 333.823 1.813 20 10 EDCDRO C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281499 594740110 /nfs/dbraw/zinc/74/01/10/594740110.db2.gz TVVKVMMCANLLQI-JQFCIGGWSA-N 1 0 335.448 1.453 20 10 EDCDRO CCc1nnc(C)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284815 594740160 /nfs/dbraw/zinc/74/01/60/594740160.db2.gz MTIQCYVONQVNCO-INIZCTEOSA-N 1 0 327.432 1.843 20 10 EDCDRO CCc1nnc(C)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284816 594740292 /nfs/dbraw/zinc/74/02/92/594740292.db2.gz MTIQCYVONQVNCO-MRXNPFEDSA-N 1 0 327.432 1.843 20 10 EDCDRO Cc1cc(O)c(C[NH+]2CCC(NS(C)(=O)=O)CC2)c(Cl)c1 ZINC000840910991 594826933 /nfs/dbraw/zinc/82/69/33/594826933.db2.gz ZNUPUSCYRVSSNV-UHFFFAOYSA-N 1 0 332.853 1.868 20 10 EDCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840941265 594830199 /nfs/dbraw/zinc/83/01/99/594830199.db2.gz VDTUMEDMXPYIDY-QFBILLFUSA-N 1 0 336.476 1.907 20 10 EDCDRO COC(=O)[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@H+](C)C1 ZINC000840958659 594833050 /nfs/dbraw/zinc/83/30/50/594833050.db2.gz QZJQBFMDZDLWGJ-OSJSJHBBSA-N 1 0 331.460 1.802 20 10 EDCDRO O=S(=O)(CC[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000840964053 594833307 /nfs/dbraw/zinc/83/33/07/594833307.db2.gz GWUADUWPLAEZSE-UHFFFAOYSA-N 1 0 334.235 1.822 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000841652856 594931369 /nfs/dbraw/zinc/93/13/69/594931369.db2.gz GNCGGDLRJYIPCO-MRXNPFEDSA-N 1 0 346.475 1.650 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841707693 594940817 /nfs/dbraw/zinc/94/08/17/594940817.db2.gz XVIXWVOPQKVKCK-WBVHZDCISA-N 1 0 346.500 1.743 20 10 EDCDRO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000841729358 594944595 /nfs/dbraw/zinc/94/45/95/594944595.db2.gz DVHYDHVWJYWJCS-INIZCTEOSA-N 1 0 332.448 1.417 20 10 EDCDRO CC1(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC[NH2+]CC1 ZINC000841729477 594944627 /nfs/dbraw/zinc/94/46/27/594944627.db2.gz HCEYAZSZRDVSLK-UHFFFAOYSA-N 1 0 332.448 1.465 20 10 EDCDRO C[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000841740506 594945787 /nfs/dbraw/zinc/94/57/87/594945787.db2.gz JMLSRLBLNWCGTE-CXAGYDPISA-N 1 0 332.448 1.621 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000841943741 594986985 /nfs/dbraw/zinc/98/69/85/594986985.db2.gz NSPJPIMMSRWRJW-KRWDZBQOSA-N 1 0 334.464 1.900 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1F ZINC000841945867 594987296 /nfs/dbraw/zinc/98/72/96/594987296.db2.gz COYLPOOBIZGVQU-HNNXBMFYSA-N 1 0 336.411 1.403 20 10 EDCDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000841988877 594996115 /nfs/dbraw/zinc/99/61/15/594996115.db2.gz NMAIREVCDBHZMI-BXKDBHETSA-N 1 0 342.237 1.952 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000842036931 595006801 /nfs/dbraw/zinc/00/68/01/595006801.db2.gz SUASNFGJPCNEOD-GDBMZVCRSA-N 1 0 332.448 1.003 20 10 EDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCSc1nccs1 ZINC000842092717 595016120 /nfs/dbraw/zinc/01/61/20/595016120.db2.gz LZRQZPLZTHPTBB-NSHDSACASA-N 1 0 344.506 1.231 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842151891 595023994 /nfs/dbraw/zinc/02/39/94/595023994.db2.gz DGNYCPHXHNDZTL-IYBDPMFKSA-N 1 0 344.459 1.030 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000842203665 595037442 /nfs/dbraw/zinc/03/74/42/595037442.db2.gz VTWNVJUFULMFIJ-DYVFJYSZSA-N 1 0 346.475 1.564 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000842206153 595038335 /nfs/dbraw/zinc/03/83/35/595038335.db2.gz BFSLJRVDPFMKAB-INIZCTEOSA-N 1 0 346.475 1.407 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000842229889 595046038 /nfs/dbraw/zinc/04/60/38/595046038.db2.gz TYEIVWWSSCGSNZ-HZPDHXFCSA-N 1 0 346.475 1.487 20 10 EDCDRO CCCC[C@@H](NC(N)=O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296341 595065656 /nfs/dbraw/zinc/06/56/56/595065656.db2.gz ATBQCOIAHUXRDU-LSDHHAIUSA-N 1 0 335.452 1.096 20 10 EDCDRO COC(=O)CCCc1nc(CN2CCCc3cc(C[NH3+])ccc32)no1 ZINC000843349749 595083235 /nfs/dbraw/zinc/08/32/35/595083235.db2.gz ABPLONOHTYZKFV-UHFFFAOYSA-N 1 0 344.415 1.977 20 10 EDCDRO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350795 595083643 /nfs/dbraw/zinc/08/36/43/595083643.db2.gz VIRGUNCEJIXYSZ-CYBMUJFWSA-N 1 0 344.459 1.023 20 10 EDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2c2nccn2C)c1O ZINC000843380207 595094882 /nfs/dbraw/zinc/09/48/82/595094882.db2.gz RXIGGBRPBRNPNI-OAHLLOKOSA-N 1 0 332.379 1.614 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1O ZINC000846142417 595155717 /nfs/dbraw/zinc/15/57/17/595155717.db2.gz SXMDXMBOAKZJIS-NSHDSACASA-N 1 0 330.450 1.769 20 10 EDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846186676 595167875 /nfs/dbraw/zinc/16/78/75/595167875.db2.gz ZJAPZEKVPYNHRR-HIFRSBDPSA-N 1 0 325.478 1.827 20 10 EDCDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)n(C)n1 ZINC000834673079 595187788 /nfs/dbraw/zinc/18/77/88/595187788.db2.gz MPPMJQKUFPRAHK-KBPBESRZSA-N 1 0 326.400 1.817 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccs2)cc1 ZINC000842786249 595197912 /nfs/dbraw/zinc/19/79/12/595197912.db2.gz OECLFUPTIYBWGE-ZDUSSCGKSA-N 1 0 325.459 1.792 20 10 EDCDRO CC(C)OCCS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785920 595198080 /nfs/dbraw/zinc/19/80/80/595198080.db2.gz XLMKBNQKPSQQOR-OAHLLOKOSA-N 1 0 329.466 1.097 20 10 EDCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCCN12 ZINC000835074151 595257460 /nfs/dbraw/zinc/25/74/60/595257460.db2.gz QMTGKHXBYCYJMU-MSOLQXFVSA-N 1 0 329.444 1.766 20 10 EDCDRO Nc1cc[nH+]cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173990 595291775 /nfs/dbraw/zinc/29/17/75/595291775.db2.gz HRHRAXNERRQJCM-UHFFFAOYSA-N 1 0 340.427 1.633 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)cc2)C1 ZINC000844175612 595292473 /nfs/dbraw/zinc/29/24/73/595292473.db2.gz JWTKITFLYFSVFE-DOTOQJQBSA-N 1 0 344.459 1.147 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844223323 595308214 /nfs/dbraw/zinc/30/82/14/595308214.db2.gz YJLUMQLCLAXLLS-HOTGVXAUSA-N 1 0 346.475 1.013 20 10 EDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C1CC1 ZINC000844765875 595392798 /nfs/dbraw/zinc/39/27/98/595392798.db2.gz URVZOODAPABSAC-SQWLQELKSA-N 1 0 333.384 1.449 20 10 EDCDRO CC(C)(C)NC(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000849070076 595477774 /nfs/dbraw/zinc/47/77/74/595477774.db2.gz CEPWAVFVOXMTMH-AWEZNQCLSA-N 1 0 331.464 1.801 20 10 EDCDRO CC(C)CNC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849070726 595477913 /nfs/dbraw/zinc/47/79/13/595477913.db2.gz WXLVRHCDTTVKKW-OAHLLOKOSA-N 1 0 331.464 1.658 20 10 EDCDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccccc2O)cn1 ZINC000849565296 595571174 /nfs/dbraw/zinc/57/11/74/595571174.db2.gz SRUFBSLJEAETOD-HOTGVXAUSA-N 1 0 328.416 1.477 20 10 EDCDRO CC[C@@H]([NH2+]C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000852885156 595597889 /nfs/dbraw/zinc/59/78/89/595597889.db2.gz OASAKEWRJOBQSH-GFCCVEGCSA-N 1 0 328.796 1.545 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000853122676 595672259 /nfs/dbraw/zinc/67/22/59/595672259.db2.gz SGNKVBHVIBDZEE-LJQANCHMSA-N 1 0 327.428 1.866 20 10 EDCDRO CN(C)c1cc(F)c(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000858126861 595706565 /nfs/dbraw/zinc/70/65/65/595706565.db2.gz LMLFXKNEQOCNTG-UONOGXRCSA-N 1 0 325.403 1.984 20 10 EDCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000858490202 595808919 /nfs/dbraw/zinc/80/89/19/595808919.db2.gz VNGHISWVJGCGGA-KGLIPLIRSA-N 1 0 336.399 1.686 20 10 EDCDRO O=[S@@](CC[NH2+]Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000850348641 595814209 /nfs/dbraw/zinc/81/42/09/595814209.db2.gz QGOQCVVSDFNBGI-NRFANRHFSA-N 1 0 325.308 1.522 20 10 EDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850355883 595817110 /nfs/dbraw/zinc/81/71/10/595817110.db2.gz MMHMYKAJPRENGH-HOCLYGCPSA-N 1 0 338.473 1.579 20 10 EDCDRO COC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOCC1 ZINC000850406494 595829147 /nfs/dbraw/zinc/82/91/47/595829147.db2.gz IYOHDVCAHUGZNM-UHFFFAOYSA-N 1 0 334.460 1.933 20 10 EDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858586991 595835434 /nfs/dbraw/zinc/83/54/34/595835434.db2.gz MJOWVFITVZSDPI-QWHCGFSZSA-N 1 0 339.411 1.721 20 10 EDCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000851630353 595861282 /nfs/dbraw/zinc/86/12/82/595861282.db2.gz KDCRWHIWARTZIF-HNNXBMFYSA-N 1 0 339.411 1.031 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)C2)cc1 ZINC000851639095 595864470 /nfs/dbraw/zinc/86/44/70/595864470.db2.gz AWGRDEYUGWFERJ-UCLAIMLFSA-N 1 0 329.444 1.780 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)NCC12CC(C1)C[NH2+]2 ZINC000851655576 595869401 /nfs/dbraw/zinc/86/94/01/595869401.db2.gz WZXYCVNLYMWNPN-UHFFFAOYSA-N 1 0 346.500 1.791 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC[NH2+]C3CC3)C2)cc1 ZINC000851662028 595873087 /nfs/dbraw/zinc/87/30/87/595873087.db2.gz RWVQHGREBCTVBW-OAHLLOKOSA-N 1 0 332.448 1.715 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1F ZINC000851806782 595930281 /nfs/dbraw/zinc/93/02/81/595930281.db2.gz WTSBNHONJQXFMX-MRXNPFEDSA-N 1 0 339.455 1.657 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861682956 596067347 /nfs/dbraw/zinc/06/73/47/596067347.db2.gz ZGXMYNQDIQCDHP-MRXNPFEDSA-N 1 0 334.464 1.661 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000852187133 596077257 /nfs/dbraw/zinc/07/72/57/596077257.db2.gz LFAUZIFXYKOCLA-GDBMZVCRSA-N 1 0 332.448 1.667 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857243903 596196183 /nfs/dbraw/zinc/19/61/83/596196183.db2.gz CEMMAHYTMBTQNU-DNVCBOLYSA-N 1 0 344.459 1.051 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@H](C)O)CC2)cc1 ZINC000852560858 596198506 /nfs/dbraw/zinc/19/85/06/596198506.db2.gz FLXSFEPGPBCMNO-MAUKXSAKSA-N 1 0 347.459 1.189 20 10 EDCDRO CC[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(N(C)C)cc1 ZINC000866552734 596247459 /nfs/dbraw/zinc/24/74/59/596247459.db2.gz BNTGYPSEIOTJBK-MJGOQNOKSA-N 1 0 347.459 1.421 20 10 EDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000862542416 596342727 /nfs/dbraw/zinc/34/27/27/596342727.db2.gz OPZUEHOHYDKLFL-SECBINFHSA-N 1 0 331.210 1.961 20 10 EDCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000870869276 596383820 /nfs/dbraw/zinc/38/38/20/596383820.db2.gz JYEHIWPDFXRSOS-PMUMKWKESA-N 1 0 333.407 1.406 20 10 EDCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000865707895 596656112 /nfs/dbraw/zinc/65/61/12/596656112.db2.gz YKDZYIQFLWDFJT-UHFFFAOYSA-N 1 0 337.239 1.184 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)CS(N)(=O)=O)cc1 ZINC000865814379 596693983 /nfs/dbraw/zinc/69/39/83/596693983.db2.gz SOEGHYACQDTJAE-WAYWQWQTSA-N 1 0 325.478 1.670 20 10 EDCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCCNC1=O ZINC000123903358 596771945 /nfs/dbraw/zinc/77/19/45/596771945.db2.gz SCFAQLGOQQVXQZ-KRWDZBQOSA-N 1 0 335.423 1.763 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000868420401 596831122 /nfs/dbraw/zinc/83/11/22/596831122.db2.gz VXOYSRZGAXOIAP-DLBZAZTESA-N 1 0 344.459 1.064 20 10 EDCDRO OC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C(F)(F)F ZINC000872688564 597033525 /nfs/dbraw/zinc/03/35/25/597033525.db2.gz VXCJLDGUGOWSBG-UFGOTCBOSA-N 1 0 333.306 1.421 20 10 EDCDRO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(OC)c(C)cc3O)C2)C1 ZINC000872708008 597039563 /nfs/dbraw/zinc/03/95/63/597039563.db2.gz HJYGYWAIRVAHMO-QGZVFWFLSA-N 1 0 334.372 1.603 20 10 EDCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873047804 597170855 /nfs/dbraw/zinc/17/08/55/597170855.db2.gz DKLJGPBPMSOPAW-GOSISDBHSA-N 1 0 344.459 1.750 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1Cn1cccn1 ZINC000873079014 597183678 /nfs/dbraw/zinc/18/36/78/597183678.db2.gz AYYNZFDDLCXWOM-INIZCTEOSA-N 1 0 349.456 1.607 20 10 EDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873099647 597193359 /nfs/dbraw/zinc/19/33/59/597193359.db2.gz PPZLSJZDPUSZIE-IRXDYDNUSA-N 1 0 342.443 1.944 20 10 EDCDRO CCCOc1ccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)cc1C ZINC000873148788 597212619 /nfs/dbraw/zinc/21/26/19/597212619.db2.gz HRSXGXVQTGQPMW-LJQANCHMSA-N 1 0 348.443 1.501 20 10 EDCDRO OC1CCN(c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)CC1 ZINC000876559946 597241219 /nfs/dbraw/zinc/24/12/19/597241219.db2.gz DRAFUQHCUORUBL-UHFFFAOYSA-N 1 0 332.444 1.987 20 10 EDCDRO COC(=O)[C@@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876596145 597255550 /nfs/dbraw/zinc/25/55/50/597255550.db2.gz OCQCAXPEISQCEE-OPIZNEOISA-N 1 0 330.384 1.509 20 10 EDCDRO C[NH+](C)CCN1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875056645 597264307 /nfs/dbraw/zinc/26/43/07/597264307.db2.gz ROGMKOMSRZEZJX-UHFFFAOYSA-N 1 0 332.448 1.443 20 10 EDCDRO COC[C@]1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCC[NH2+]1 ZINC000876708051 597296437 /nfs/dbraw/zinc/29/64/37/597296437.db2.gz GGEWAIZQKBMHPL-IBGZPJMESA-N 1 0 347.459 1.503 20 10 EDCDRO OCCCC[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876725861 597307569 /nfs/dbraw/zinc/30/75/69/597307569.db2.gz ZWPXLJZTXIZYAR-UHFFFAOYSA-N 1 0 347.503 1.538 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CC2)cc1F ZINC000876781690 597338574 /nfs/dbraw/zinc/33/85/74/597338574.db2.gz MGLKGSXQPCMCRV-FZMZJTMJSA-N 1 0 343.349 1.323 20 10 EDCDRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000876996430 597407363 /nfs/dbraw/zinc/40/73/63/597407363.db2.gz VAPSJVVSDMKUGJ-UHFFFAOYSA-N 1 0 338.473 1.962 20 10 EDCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877089584 597429646 /nfs/dbraw/zinc/42/96/46/597429646.db2.gz OIOMOXBMELXXJT-MRXNPFEDSA-N 1 0 331.460 1.748 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000877227452 597467680 /nfs/dbraw/zinc/46/76/80/597467680.db2.gz IVTLZMLZNBXOQF-OAHLLOKOSA-N 1 0 347.459 1.742 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3(C)C)CC2)c(OC)c1 ZINC000877227945 597468319 /nfs/dbraw/zinc/46/83/19/597468319.db2.gz RBKUJJKDAHHGPS-PBHICJAKSA-N 1 0 347.459 1.726 20 10 EDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1OC ZINC000877351298 597498338 /nfs/dbraw/zinc/49/83/38/597498338.db2.gz KTBRBWVFIRKYTF-OTWHNJEPSA-N 1 0 334.460 1.930 20 10 EDCDRO OCCCN1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877558595 597535497 /nfs/dbraw/zinc/53/54/97/597535497.db2.gz KHXLPZAVTXVVKK-SFHVURJKSA-N 1 0 347.503 1.584 20 10 EDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877563319 597536466 /nfs/dbraw/zinc/53/64/66/597536466.db2.gz JGQBCIOGCKAERU-QFBILLFUSA-N 1 0 334.460 1.789 20 10 EDCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1O ZINC000877668607 597546388 /nfs/dbraw/zinc/54/63/88/597546388.db2.gz SAOXRVQXNDJKFK-IYBDPMFKSA-N 1 0 338.791 1.539 20 10 EDCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000879652269 597674534 /nfs/dbraw/zinc/67/45/34/597674534.db2.gz BPMBYEPJLITKPY-RWMBFGLXSA-N 1 0 340.445 1.077 20 10 EDCDRO C[C@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)c2c1c(F)ccc2O ZINC000883350518 597722522 /nfs/dbraw/zinc/72/25/22/597722522.db2.gz IFWQZQYELJKFEP-GXTWGEPZSA-N 1 0 326.412 1.610 20 10 EDCDRO Cc1nn(C)cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851291 597754422 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COC[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000882662113 598015578 /nfs/dbraw/zinc/01/55/78/598015578.db2.gz AKQXZZIGIKPPDD-KRWDZBQOSA-N 1 0 346.475 1.616 20 10 EDCDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000884194853 598022725 /nfs/dbraw/zinc/02/27/25/598022725.db2.gz TZKLZWSCZOKJFP-AWEZNQCLSA-N 1 0 335.423 1.524 20 10 EDCDRO Cc1nnc2c(NCc3ccc(N4CC[NH+](C)CC4)cc3)nccn12 ZINC000882880398 598093648 /nfs/dbraw/zinc/09/36/48/598093648.db2.gz QDZYMGKYPRGCFG-UHFFFAOYSA-N 1 0 337.431 1.797 20 10 EDCDRO CC(=O)N1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1 ZINC000184727018 698068567 /nfs/dbraw/zinc/06/85/67/698068567.db2.gz GMLDSXRXIAFRMO-UHFFFAOYSA-N 1 0 331.460 1.966 20 10 EDCDRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccccc1O ZINC000183505818 701739075 /nfs/dbraw/zinc/73/90/75/701739075.db2.gz AGYGRQIWFTXHLQ-CYBMUJFWSA-N 1 0 326.462 1.552 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000325060825 704024650 /nfs/dbraw/zinc/02/46/50/704024650.db2.gz 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ZINC000133477507 237242816 /nfs/dbraw/zinc/24/28/16/237242816.db2.gz ZSEKRNSXCCXRCJ-UHFFFAOYSA-N 1 0 338.427 1.148 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237223198 249302234 /nfs/dbraw/zinc/30/22/34/249302234.db2.gz PLFUZAYMMYYZDA-LJQANCHMSA-N 1 0 331.460 1.871 20 10 EDCDRO C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC[NH2+]1 ZINC000237595172 249303134 /nfs/dbraw/zinc/30/31/34/249303134.db2.gz ZKINOBMTGLGHRS-SFHVURJKSA-N 1 0 335.423 1.811 20 10 EDCDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000264948537 249339326 /nfs/dbraw/zinc/33/93/26/249339326.db2.gz KMAQKDBJSUILCM-QAPCUYQASA-N 1 0 330.476 1.537 20 10 EDCDRO CC(C)NC(=O)CN1CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000372392936 250219061 /nfs/dbraw/zinc/21/90/61/250219061.db2.gz ZXWTXTUGXUPNOT-UHFFFAOYSA-N 1 0 332.492 1.785 20 10 EDCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1[NH+](C)C ZINC000297887651 300094930 /nfs/dbraw/zinc/09/49/30/300094930.db2.gz QMIVOWIETNTURK-WMLDXEAASA-N 1 0 346.475 1.120 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419714342 447368763 /nfs/dbraw/zinc/36/87/63/447368763.db2.gz XOQMIZBZIMULDH-UHFFFAOYSA-N 1 0 340.427 1.139 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000084962083 441427513 /nfs/dbraw/zinc/42/75/13/441427513.db2.gz NPQLUVTZPRZWKU-UHFFFAOYSA-N 1 0 337.489 1.799 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CCNC(=O)c3ccn[nH]3)CC2)cc1 ZINC000378554572 447440948 /nfs/dbraw/zinc/44/09/48/447440948.db2.gz WGMMCMXFXKGUNF-UHFFFAOYSA-N 1 0 343.431 1.407 20 10 EDCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000076073997 441593780 /nfs/dbraw/zinc/59/37/80/441593780.db2.gz DFGVEVQWLPAQRW-CQSZACIVSA-N 1 0 347.459 1.730 20 10 EDCDRO COC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000123124408 441875825 /nfs/dbraw/zinc/87/58/25/441875825.db2.gz YLMCXEDLUSAFRI-UHFFFAOYSA-N 1 0 338.423 1.948 20 10 EDCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000079602571 442067454 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C[NH2+]C[C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269267002 443258693 /nfs/dbraw/zinc/25/86/93/443258693.db2.gz ZNEBRZRFPGPLJO-MELADBBJSA-N 1 0 337.439 1.911 20 10 EDCDRO O=C(NCc1ccccc1O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000269346396 443288992 /nfs/dbraw/zinc/28/89/92/443288992.db2.gz QRHYDYMMRCKZRD-FUHWJXTLSA-N 1 0 347.459 1.959 20 10 EDCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000269665389 443386228 /nfs/dbraw/zinc/38/62/28/443386228.db2.gz GVXUKFLZKOIZPC-UHFFFAOYSA-N 1 0 349.450 1.887 20 10 EDCDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278530361 443355424 /nfs/dbraw/zinc/35/54/24/443355424.db2.gz UUZIIUIQINJMPH-UWVGGRQHSA-N 1 0 325.365 1.702 20 10 EDCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(OC)c2O)C1 ZINC000278661814 443393759 /nfs/dbraw/zinc/39/37/59/443393759.db2.gz KRHZPSNMROJCEJ-UKRRQHHQSA-N 1 0 325.405 1.247 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000271073000 443489586 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C[NH+](C)CCOc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccn1 ZINC000271237775 443497142 /nfs/dbraw/zinc/49/71/42/443497142.db2.gz NSEHIRDCAZUWHT-UHFFFAOYSA-N 1 0 345.399 1.406 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCC[C@@H]1CCO)cc2=O ZINC000279265254 443544597 /nfs/dbraw/zinc/54/45/97/443544597.db2.gz MRMPVJIGSZIFFP-RISCZKNCSA-N 1 0 348.403 1.252 20 10 EDCDRO COc1cc(O)c(C[N@H+](C)CCN2CCOC(C)(C)C2)cc1OC ZINC000279505139 443595533 /nfs/dbraw/zinc/59/55/33/443595533.db2.gz WLPWTGNAOHLEBB-UHFFFAOYSA-N 1 0 338.448 1.952 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]3)cc2F)C[C@H](C)O1 ZINC000272397884 443613613 /nfs/dbraw/zinc/61/36/13/443613613.db2.gz ZAHOBTYQBDBJBE-DVOMOZLQSA-N 1 0 335.423 1.808 20 10 EDCDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283554367 443659789 /nfs/dbraw/zinc/65/97/89/443659789.db2.gz QWPPMLBJFBMVOT-PBHICJAKSA-N 1 0 346.475 1.214 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)[C@@H](C)CC)cc2=O ZINC000287223860 443738482 /nfs/dbraw/zinc/73/84/82/443738482.db2.gz FPGQKOMFJXPMHR-NSHDSACASA-N 1 0 336.392 1.204 20 10 EDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527956665 320530458 /nfs/dbraw/zinc/53/04/58/320530458.db2.gz QXYYDWIXTQSXAX-BEFAXECRSA-N 1 0 334.460 1.967 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCSC)cc2=O ZINC000281347337 443886329 /nfs/dbraw/zinc/88/63/29/443886329.db2.gz KHVVDQZZNVTLTR-UHFFFAOYSA-N 1 0 338.433 1.797 20 10 EDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299532982 444072557 /nfs/dbraw/zinc/07/25/57/444072557.db2.gz NOWMGCJGYJQPMP-KRWDZBQOSA-N 1 0 335.423 1.497 20 10 EDCDRO COCCOC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294956560 444161856 /nfs/dbraw/zinc/16/18/56/444161856.db2.gz MZYUFZIBODNZSO-IAGOWNOFSA-N 1 0 339.432 1.397 20 10 EDCDRO C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000278238130 444121758 /nfs/dbraw/zinc/12/17/58/444121758.db2.gz KXWQMTYMWDBFAL-FWLFOBHPSA-N 1 0 329.444 1.793 20 10 EDCDRO 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/nfs/dbraw/zinc/13/61/90/594136190.db2.gz FHURXRMZVBHXIM-MRXNPFEDSA-N 1 0 348.466 1.678 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C(C)(C)C)CC2)cc1 ZINC000830560466 594423115 /nfs/dbraw/zinc/42/31/15/594423115.db2.gz FMUAKFHIOJYTDA-KRWDZBQOSA-N 1 0 335.492 1.908 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](CO)[C@@H]1CC)cc2=O ZINC000830715126 594463044 /nfs/dbraw/zinc/46/30/44/594463044.db2.gz VTRYBRHDARAUTN-FZMZJTMJSA-N 1 0 348.403 1.204 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]([NH3+])C3CCC3)cc2)C1 ZINC000827469413 594675124 /nfs/dbraw/zinc/67/51/24/594675124.db2.gz WVMZCVHPLKUEHB-WBVHZDCISA-N 1 0 344.459 1.132 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000840942885 594830967 /nfs/dbraw/zinc/83/09/67/594830967.db2.gz LBQIMUWAALUSTA-NVXWUHKLSA-N 1 0 339.505 1.869 20 10 EDCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841021215 594840666 /nfs/dbraw/zinc/84/06/66/594840666.db2.gz DUBDDQYFLMNYGN-MJBXVCDLSA-N 1 0 332.448 1.690 20 10 EDCDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(N)cc2)([NH+](C)C)C1 ZINC000841021468 594840878 /nfs/dbraw/zinc/84/08/78/594840878.db2.gz CHWIMZOCIWNDMH-UGSOOPFHSA-N 1 0 332.448 1.834 20 10 EDCDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841064670 594846560 /nfs/dbraw/zinc/84/65/60/594846560.db2.gz SGYXLNRVROEMFC-UHFFFAOYSA-N 1 0 346.456 1.859 20 10 EDCDRO CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000833505072 594861239 /nfs/dbraw/zinc/86/12/39/594861239.db2.gz GYPRLCXFDVAHCC-GOSISDBHSA-N 1 0 349.475 1.748 20 10 EDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000836248319 594942915 /nfs/dbraw/zinc/94/29/15/594942915.db2.gz HSSMLYZFJOEJJG-AEFFLSMTSA-N 1 0 344.459 1.369 20 10 EDCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3C[NH2+]CCCO3)ccc21 ZINC000841760040 594948311 /nfs/dbraw/zinc/94/83/11/594948311.db2.gz RTOFUMODEJXLBG-INIZCTEOSA-N 1 0 332.448 1.247 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000841757806 594948313 /nfs/dbraw/zinc/94/83/13/594948313.db2.gz ATVCHJCIIOZWBD-DYVFJYSZSA-N 1 0 332.448 1.327 20 10 EDCDRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841955485 594989086 /nfs/dbraw/zinc/98/90/86/594989086.db2.gz DSUOWCICYIPRDW-UHFFFAOYSA-N 1 0 347.507 1.527 20 10 EDCDRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000842203846 595037494 /nfs/dbraw/zinc/03/74/94/595037494.db2.gz XUSCDLOOEVZAMO-VBQJREDUSA-N 1 0 346.475 1.516 20 10 EDCDRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842203725 595037515 /nfs/dbraw/zinc/03/75/15/595037515.db2.gz WXHSDVBSLNUBTD-CQSZACIVSA-N 1 0 334.464 1.434 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203917 595038171 /nfs/dbraw/zinc/03/81/71/595038171.db2.gz YNRWVCGSNNMESE-ZFWWWQNUSA-N 1 0 332.448 1.188 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)cc1 ZINC000842208469 595039524 /nfs/dbraw/zinc/03/95/24/595039524.db2.gz VCRSHTOOJSNGKO-UHFFFAOYSA-N 1 0 332.448 1.099 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000842212802 595041211 /nfs/dbraw/zinc/04/12/11/595041211.db2.gz BTZPIAIEKDQDAQ-UHFFFAOYSA-N 1 0 346.475 1.393 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000842227412 595045139 /nfs/dbraw/zinc/04/51/39/595045139.db2.gz RCKDVWZJNRGLHP-CQSZACIVSA-N 1 0 333.432 1.247 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000842228569 595045566 /nfs/dbraw/zinc/04/55/66/595045566.db2.gz AHRIJVCFISWOQU-UHFFFAOYSA-N 1 0 347.459 1.907 20 10 EDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000843260125 595055831 /nfs/dbraw/zinc/05/58/31/595055831.db2.gz UULWZQBOJQBLQI-KGLIPLIRSA-N 1 0 332.448 1.145 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000842265118 595059890 /nfs/dbraw/zinc/05/98/90/595059890.db2.gz GZXCZDFHCCEPQE-INIZCTEOSA-N 1 0 347.459 1.779 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(N)=O)cs2)cc1 ZINC000843299859 595066464 /nfs/dbraw/zinc/06/64/64/595066464.db2.gz YAGGMEVOUGPUNY-ZDUSSCGKSA-N 1 0 332.429 1.343 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000846142449 595155656 /nfs/dbraw/zinc/15/56/56/595155656.db2.gz TZZGVEIRKUDEMW-NWDGAFQWSA-N 1 0 328.434 1.475 20 10 EDCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000834590127 595169831 /nfs/dbraw/zinc/16/98/31/595169831.db2.gz RBDWXPVKYHIRRR-DLBZAZTESA-N 1 0 331.460 1.376 20 10 EDCDRO CC1CCN(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000842785424 595197535 /nfs/dbraw/zinc/19/75/35/595197535.db2.gz QOCMPDRGOUDETE-INIZCTEOSA-N 1 0 340.493 1.319 20 10 EDCDRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)N1CC[NH2+]CC1 ZINC000843047599 595272567 /nfs/dbraw/zinc/27/25/67/595272567.db2.gz YPYUUIDDHONNDX-CQSZACIVSA-N 1 0 337.851 1.689 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)CO[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000844175862 595292515 /nfs/dbraw/zinc/29/25/15/595292515.db2.gz WXMHTUMROYYFPU-GOSISDBHSA-N 1 0 347.459 1.503 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)CCCOC(=O)NC(N)=O)cc1 ZINC000844402171 595338131 /nfs/dbraw/zinc/33/81/31/595338131.db2.gz VWBBLCUFAQNZMR-UHFFFAOYSA-N 1 0 338.408 1.258 20 10 EDCDRO [NH3+]C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000848596241 595413928 /nfs/dbraw/zinc/41/39/28/595413928.db2.gz ULMGXRUMDFIRHG-ZDUSSCGKSA-N 1 0 328.338 1.752 20 10 EDCDRO CCc1cccc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000848879895 595462025 /nfs/dbraw/zinc/46/20/25/595462025.db2.gz GTVWYRMVPIXQID-MRXNPFEDSA-N 1 0 341.473 1.980 20 10 EDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567383 595535836 /nfs/dbraw/zinc/53/58/36/595535836.db2.gz BEQCNYLDTQEEGK-CQSZACIVSA-N 1 0 340.489 1.561 20 10 EDCDRO [NH3+]Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000852868501 595588596 /nfs/dbraw/zinc/58/85/96/595588596.db2.gz HMWDNDYVZZWJEM-UHFFFAOYSA-N 1 0 340.427 1.431 20 10 EDCDRO O=C(COC1CC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868993 595588713 /nfs/dbraw/zinc/58/87/13/595588713.db2.gz RYHOONNBBDBCIN-UHFFFAOYSA-N 1 0 347.459 1.033 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N(C)CCC[NH3+])C2CC2)cc1 ZINC000852917113 595613563 /nfs/dbraw/zinc/61/35/63/595613563.db2.gz HSNPVOMUOCOGGW-UHFFFAOYSA-N 1 0 332.448 1.051 20 10 EDCDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c(O)c1 ZINC000850364288 595820084 /nfs/dbraw/zinc/82/00/84/595820084.db2.gz YRFDPWHFOPAPDU-UHFFFAOYSA-N 1 0 341.351 1.858 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NCC12CC(C1)C[NH2+]2 ZINC000851655819 595870227 /nfs/dbraw/zinc/87/02/27/595870227.db2.gz YRMODQKRLWLKKS-UHFFFAOYSA-N 1 0 330.432 1.074 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C4CC4)CC3)C2)cc1 ZINC000854302050 596027269 /nfs/dbraw/zinc/02/72/69/596027269.db2.gz XHCLTQNNHPAFKC-OAHLLOKOSA-N 1 0 344.459 1.764 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)C2)cc1 ZINC000861690787 596069896 /nfs/dbraw/zinc/06/98/96/596069896.db2.gz TTZKMUAFJFECNA-ZNMIVQPWSA-N 1 0 332.448 1.714 20 10 EDCDRO Cc1ccc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c(O)c1O ZINC000854570324 596122505 /nfs/dbraw/zinc/12/25/05/596122505.db2.gz PKJKCQRKTOFJJN-CYBMUJFWSA-N 1 0 334.416 1.732 20 10 EDCDRO COC1CCN(c2ccc(C[N@@H+]3CCC(CO)(CO)C3)cc2)CC1 ZINC000852632144 596213464 /nfs/dbraw/zinc/21/34/64/596213464.db2.gz QJAGBYYZYASLSC-UHFFFAOYSA-N 1 0 334.460 1.479 20 10 EDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862400112 596320695 /nfs/dbraw/zinc/32/06/95/596320695.db2.gz MWGLVDPVDRUUCV-NXEZZACHSA-N 1 0 344.205 1.511 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000862483911 596335339 /nfs/dbraw/zinc/33/53/39/596335339.db2.gz XOOCFAXIFROEBV-UHFFFAOYSA-N 1 0 342.447 1.589 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC3CC=CC3)CC2)cc1 ZINC000863570147 596621170 /nfs/dbraw/zinc/62/11/70/596621170.db2.gz DNAAWVULOFLVFC-IBGZPJMESA-N 1 0 345.487 1.734 20 10 EDCDRO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868300122 596775158 /nfs/dbraw/zinc/77/51/58/596775158.db2.gz SBZYLYWPZJMULO-UHFFFAOYSA-N 1 0 337.379 1.519 20 10 EDCDRO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000872709837 597040440 /nfs/dbraw/zinc/04/04/40/597040440.db2.gz XKHFKJMKRLUJRU-INIZCTEOSA-N 1 0 334.328 1.015 20 10 EDCDRO COc1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1Cn1cccn1 ZINC000873094443 597190905 /nfs/dbraw/zinc/19/09/05/597190905.db2.gz IUNSRRWITOPUMC-SFHVURJKSA-N 1 0 332.448 1.342 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncn(C(C)(C)C)n2)cc1 ZINC000876505889 597224542 /nfs/dbraw/zinc/22/45/42/597224542.db2.gz CBQVMJZMJVDXHF-AWEZNQCLSA-N 1 0 330.436 1.529 20 10 EDCDRO COc1cc(O)c(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000873229107 597235038 /nfs/dbraw/zinc/23/50/38/597235038.db2.gz XJSHVJPTFINRMZ-GHMZBOCLSA-N 1 0 334.338 1.978 20 10 EDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000876557644 597240406 /nfs/dbraw/zinc/24/04/06/597240406.db2.gz CHASLNSNZNMLIM-UHFFFAOYSA-N 1 0 338.415 1.700 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)c1 ZINC000876879641 597367299 /nfs/dbraw/zinc/36/72/99/597367299.db2.gz UHJBRTMVLWAWFC-QVQLBTGDSA-N 1 0 340.445 1.079 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3c(C[NH3+])cnn3C)C2)cc1 ZINC000876931852 597389426 /nfs/dbraw/zinc/38/94/26/597389426.db2.gz XHZLJQNXQMCFBA-ZDUSSCGKSA-N 1 0 343.431 1.144 20 10 EDCDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000877003432 597408607 /nfs/dbraw/zinc/40/86/07/597408607.db2.gz UMJFRSCHJLXESF-INIZCTEOSA-N 1 0 341.459 1.652 20 10 EDCDRO NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877021257 597413325 /nfs/dbraw/zinc/41/33/25/597413325.db2.gz DGYJIOGPWUUVJC-GFCCVEGCSA-N 1 0 327.375 1.347 20 10 EDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CC12COC2 ZINC000877558105 597535026 /nfs/dbraw/zinc/53/50/26/597535026.db2.gz WPBRJNDYKUSASO-NSHDSACASA-N 1 0 327.327 1.682 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CC(C)(C)O)CC2)cc1F ZINC000878182075 597584881 /nfs/dbraw/zinc/58/48/81/597584881.db2.gz YNYLBRJAHJXSIP-CQSZACIVSA-N 1 0 326.412 1.478 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000879647391 597673884 /nfs/dbraw/zinc/67/38/84/597673884.db2.gz BPMBYEPJLITKPY-AGIUHOORSA-N 1 0 340.445 1.077 20 10 EDCDRO COc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000881852604 597755221 /nfs/dbraw/zinc/75/52/21/597755221.db2.gz XPKGZQARFHJHGR-UHFFFAOYSA-N 1 0 330.388 1.365 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCOCC3)cc2)CC1 ZINC000883593289 597818838 /nfs/dbraw/zinc/81/88/38/597818838.db2.gz GDUZPSNIXNNHBD-KRWDZBQOSA-N 1 0 346.475 1.807 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCC=CO3)cc2)CC1 ZINC000883634877 597839795 /nfs/dbraw/zinc/83/97/95/597839795.db2.gz FYYNZEWQNGMFQL-GOSISDBHSA-N 1 0 344.459 1.930 20 10 EDCDRO COC(=O)C[C@@](C)([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000879442348 597918434 /nfs/dbraw/zinc/91/84/34/597918434.db2.gz RJKMMIVTJGFTCR-LJQANCHMSA-N 1 0 347.459 1.690 20 10 EDCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153003766 695483335 /nfs/dbraw/zinc/48/33/35/695483335.db2.gz AVSQMDMAFGYEQR-QGZVFWFLSA-N 1 0 330.388 1.293 20 10 EDCDRO CC[C@@H](CN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001031464453 697144074 /nfs/dbraw/zinc/14/40/74/697144074.db2.gz SCJXDIMOEKELCP-AWEZNQCLSA-N 1 0 333.392 1.688 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3coc(CO)c3)cc2)CC1 ZINC000918838959 697212680 /nfs/dbraw/zinc/21/26/80/697212680.db2.gz OJZRAKDPHCSTHV-UHFFFAOYSA-N 1 0 329.400 1.454 20 10 EDCDRO COc1cc(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)cc(OC)n1 ZINC001034287877 709710427 /nfs/dbraw/zinc/71/04/27/709710427.db2.gz CENQUJPHYMFRJI-AWEZNQCLSA-N 1 0 337.420 1.066 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCO)C2)cc1 ZINC001034544145 710218080 /nfs/dbraw/zinc/21/80/80/710218080.db2.gz MYTBGIMCQGBFGS-AWEZNQCLSA-N 1 0 333.392 1.426 20 10 EDCDRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269009914 249376442 /nfs/dbraw/zinc/37/64/42/249376442.db2.gz NFXFWTNGVPBGOY-HIFRSBDPSA-N 1 0 325.478 1.827 20 10 EDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c1 ZINC000372588501 250222716 /nfs/dbraw/zinc/22/27/16/250222716.db2.gz BUEZPGKBQLSORA-OAVHHTNSSA-N 1 0 347.415 1.772 20 10 EDCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000370400100 250206210 /nfs/dbraw/zinc/20/62/10/250206210.db2.gz NSZKRLYFJTUFMM-DLBZAZTESA-N 1 0 329.396 1.899 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)cc1F ZINC000377728240 250292245 /nfs/dbraw/zinc/29/22/45/250292245.db2.gz VZQZIHJBJVAALP-KYJSFNMBSA-N 1 0 335.423 1.808 20 10 EDCDRO CCS(=O)(=O)NCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109762065 441505456 /nfs/dbraw/zinc/50/54/56/441505456.db2.gz GPMFWWRAIBNVLL-OAHLLOKOSA-N 1 0 342.461 1.313 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092218103 441780789 /nfs/dbraw/zinc/78/07/89/441780789.db2.gz ITYZSQZCMUKRTA-FQEVSTJZSA-N 1 0 345.487 1.820 20 10 EDCDRO CCC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccccc1O ZINC000069009865 441879370 /nfs/dbraw/zinc/87/93/70/441879370.db2.gz RQWVTLKNMMWZHT-UHFFFAOYSA-N 1 0 347.459 1.731 20 10 EDCDRO COc1ccc(N2CCC[N@H+](C[C@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000163068228 442141701 /nfs/dbraw/zinc/14/17/01/442141701.db2.gz OGRQPMLKSZJIEP-HNNXBMFYSA-N 1 0 340.489 1.888 20 10 EDCDRO O=C1CCC(=O)N1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121051807 442170681 /nfs/dbraw/zinc/17/06/81/442170681.db2.gz LDGWTIPWRFUFLW-HNNXBMFYSA-N 1 0 332.400 1.522 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000180774245 442658601 /nfs/dbraw/zinc/65/86/01/442658601.db2.gz IVOOGPVJHCKCSJ-NBUZRDOWSA-N 1 0 346.427 1.682 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(C)CC2([NH+](C)C)CCC2)cc1 ZINC000186941266 442633142 /nfs/dbraw/zinc/63/31/42/442633142.db2.gz PEHFGRYWJJNEEG-UHFFFAOYSA-N 1 0 332.492 1.785 20 10 EDCDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(O)c1O ZINC000182829807 442831483 /nfs/dbraw/zinc/83/14/83/442831483.db2.gz JFVHXBFJQQJIMG-JKSUJKDBSA-N 1 0 348.443 1.904 20 10 EDCDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269250026 443250533 /nfs/dbraw/zinc/25/05/33/443250533.db2.gz OKJMXOOQUWADIA-QGZVFWFLSA-N 1 0 333.476 1.885 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278415072 443323826 /nfs/dbraw/zinc/32/38/26/443323826.db2.gz HPEMPWUXIGJFMC-SFHVURJKSA-N 1 0 347.434 1.905 20 10 EDCDRO NC(=O)NC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264726807 443392772 /nfs/dbraw/zinc/39/27/72/443392772.db2.gz QIMKHBYGMMEGPL-AWEZNQCLSA-N 1 0 335.404 1.348 20 10 EDCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccccn1 ZINC000264803966 443432277 /nfs/dbraw/zinc/43/22/77/443432277.db2.gz WWFMPELZPCLJMF-MRXNPFEDSA-N 1 0 341.459 1.465 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnnn3C)CC2)cc1 ZINC000267487510 443474786 /nfs/dbraw/zinc/47/47/86/443474786.db2.gz CASZZAKMCODSQS-UHFFFAOYSA-N 1 0 344.463 1.126 20 10 EDCDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000275012758 443617974 /nfs/dbraw/zinc/61/79/74/443617974.db2.gz NRZPQUVPKXEZEU-SECBINFHSA-N 1 0 346.305 1.621 20 10 EDCDRO COc1c(O)c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000284239113 443770921 /nfs/dbraw/zinc/77/09/21/443770921.db2.gz DYPBGTLKJIXRNT-NEPJUHHUSA-N 1 0 339.392 1.196 20 10 EDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000285402527 443970976 /nfs/dbraw/zinc/97/09/76/443970976.db2.gz FGCAZVUDYJSQLP-ZFWWWQNUSA-N 1 0 326.462 1.898 20 10 EDCDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000285475899 443998938 /nfs/dbraw/zinc/99/89/38/443998938.db2.gz KYCRGYHEYZIPJT-AWEZNQCLSA-N 1 0 347.415 1.891 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)c3cccn3C)CC2)cc1 ZINC000299507292 444065544 /nfs/dbraw/zinc/06/55/44/444065544.db2.gz PYIBQOMARGXISZ-UHFFFAOYSA-N 1 0 342.443 1.586 20 10 EDCDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000293975101 444098050 /nfs/dbraw/zinc/09/80/50/444098050.db2.gz BFEVCNVVAAPOAK-GDBMZVCRSA-N 1 0 349.450 1.778 20 10 EDCDRO CCCOc1ccc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)c(O)c1 ZINC000294920717 444157967 /nfs/dbraw/zinc/15/79/67/444157967.db2.gz AUBXRSLXBLATME-ZDUSSCGKSA-N 1 0 330.450 1.598 20 10 EDCDRO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000289530827 444165449 /nfs/dbraw/zinc/16/54/49/444165449.db2.gz WAHIOQQPSOWTPT-UHFFFAOYSA-N 1 0 328.434 1.305 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289649618 444186330 /nfs/dbraw/zinc/18/63/30/444186330.db2.gz MSSMBDMEGNFIMZ-SCLBCKFNSA-N 1 0 347.415 1.744 20 10 EDCDRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000289732020 444196584 /nfs/dbraw/zinc/19/65/84/444196584.db2.gz HYCVKKDUBCPGGQ-CYBMUJFWSA-N 1 0 328.409 1.578 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1 ZINC000296500144 444233514 /nfs/dbraw/zinc/23/35/14/444233514.db2.gz QZUAFIYAMJLZJP-TXPKVOOTSA-N 1 0 333.476 1.973 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343286547 445180523 /nfs/dbraw/zinc/18/05/23/445180523.db2.gz MMJHDKPOOUKJHZ-UHFFFAOYSA-N 1 0 342.443 1.313 20 10 EDCDRO CN1CCc2cc(C[NH2+]C[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)ccc21 ZINC000362789699 445551075 /nfs/dbraw/zinc/55/10/75/445551075.db2.gz ZRPBHRKNOSPWHC-KXBFYZLASA-N 1 0 342.443 1.489 20 10 EDCDRO CCOc1cccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000360093693 445563014 /nfs/dbraw/zinc/56/30/14/445563014.db2.gz VBLNLVYTNGDUFR-ZDUSSCGKSA-N 1 0 330.388 1.420 20 10 EDCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC000361013804 445744001 /nfs/dbraw/zinc/74/40/01/445744001.db2.gz VRJQHGKXARSKEJ-QGZVFWFLSA-N 1 0 341.459 1.625 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)cc1F ZINC000364215859 445900725 /nfs/dbraw/zinc/90/07/25/445900725.db2.gz RDRAALURZYNLDQ-KBXCAEBGSA-N 1 0 333.407 1.483 20 10 EDCDRO COc1ccc(N2CCC(N(C)C(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000365218669 446083866 /nfs/dbraw/zinc/08/38/66/446083866.db2.gz HVFXVRWOTOUUAR-QGZVFWFLSA-N 1 0 335.448 1.486 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)c1 ZINC000371324823 446774662 /nfs/dbraw/zinc/77/46/62/446774662.db2.gz AUFCSKUXTMJLSB-AWEZNQCLSA-N 1 0 328.434 1.305 20 10 EDCDRO Cn1ccnc1CN1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000371419213 446843528 /nfs/dbraw/zinc/84/35/28/446843528.db2.gz SVTYGCORKMVLIS-UHFFFAOYSA-N 1 0 344.415 1.562 20 10 EDCDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000375678735 446969878 /nfs/dbraw/zinc/96/98/78/446969878.db2.gz MTPLCMPZEWCRFY-IPYPFGDCSA-N 1 0 334.416 1.717 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000578743172 448624612 /nfs/dbraw/zinc/62/46/12/448624612.db2.gz MYXMDRMYRRUTKP-CQSZACIVSA-N 1 0 329.448 1.190 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nccn3C)cc2F)CC1 ZINC000741261811 579406050 /nfs/dbraw/zinc/40/60/50/579406050.db2.gz QTTFRSGFBXQRCM-UHFFFAOYSA-N 1 0 345.422 1.631 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNCc3cn(C)nn3)CC2)cc1 ZINC000742366636 579450197 /nfs/dbraw/zinc/45/01/97/579450197.db2.gz NBFJBNZNNNMLSL-UHFFFAOYSA-N 1 0 344.463 1.126 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2COCCO2)c1O ZINC000725846626 578288675 /nfs/dbraw/zinc/28/86/75/578288675.db2.gz JJDJRWSNSBZMPI-NSHDSACASA-N 1 0 332.194 1.668 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCOCC[NH+](C)C)c1 ZINC000788016918 578541699 /nfs/dbraw/zinc/54/16/99/578541699.db2.gz HJQFHNUVLDXVIJ-GFCCVEGCSA-N 1 0 325.409 1.339 20 10 EDCDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000729523597 578580723 /nfs/dbraw/zinc/58/07/23/578580723.db2.gz RHHJRYSTJPSLMT-KRWDZBQOSA-N 1 0 331.460 1.463 20 10 EDCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1OC ZINC000753568781 579882933 /nfs/dbraw/zinc/88/29/33/579882933.db2.gz SVBWFMSRCXRQPE-GFCCVEGCSA-N 1 0 329.418 1.466 20 10 EDCDRO COc1ccc(N2CCN(C(=S)NCC[NH+](C)C)CC2)cc1F ZINC000753965153 579892442 /nfs/dbraw/zinc/89/24/42/579892442.db2.gz ZXZMDYZHIANMCL-UHFFFAOYSA-N 1 0 340.468 1.392 20 10 EDCDRO COC[C@](C)(CCO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000754668485 579909152 /nfs/dbraw/zinc/90/91/52/579909152.db2.gz OXDIIMUOJJBBGK-SFHVURJKSA-N 1 0 337.464 1.088 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000756108231 579943643 /nfs/dbraw/zinc/94/36/43/579943643.db2.gz UXVOKLHIUONIOK-APWZRJJASA-N 1 0 332.492 1.357 20 10 EDCDRO COc1cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(O)cc1C ZINC000768445291 580213147 /nfs/dbraw/zinc/21/31/47/580213147.db2.gz HEFRYQWNQPKGOT-QGZVFWFLSA-N 1 0 333.476 1.921 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)[C@@H](O)CO2 ZINC000768463672 580213950 /nfs/dbraw/zinc/21/39/50/580213950.db2.gz VOPMXFJWEWZVAP-LRDDRELGSA-N 1 0 330.388 1.322 20 10 EDCDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)[C@H]2C1 ZINC000768465440 580214170 /nfs/dbraw/zinc/21/41/70/580214170.db2.gz MRJKDIWMNVNDLX-QCPWZWHMSA-N 1 0 335.400 1.586 20 10 EDCDRO OCCCC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769395220 580235697 /nfs/dbraw/zinc/23/56/97/580235697.db2.gz NVMZEJWASRTBBS-UHFFFAOYSA-N 1 0 333.476 1.413 20 10 EDCDRO CC(C)[N@H+](CC(=O)N1CCN(C)CC1)Cc1ccc(N(C)C)cc1 ZINC000772174396 580304660 /nfs/dbraw/zinc/30/46/60/580304660.db2.gz HXZSDGFEAXXOAT-UHFFFAOYSA-N 1 0 332.492 1.737 20 10 EDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000774483348 580363235 /nfs/dbraw/zinc/36/32/35/580363235.db2.gz KAHOBMURCDPDAM-KBPBESRZSA-N 1 0 346.475 1.529 20 10 EDCDRO C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715483 580398328 /nfs/dbraw/zinc/39/83/28/580398328.db2.gz ZFAARJAKKYDSFY-VBURHUQHSA-N 1 0 335.517 1.780 20 10 EDCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000775741836 580399185 /nfs/dbraw/zinc/39/91/85/580399185.db2.gz RHICDDGTRBPSCN-MRXNPFEDSA-N 1 0 339.388 1.155 20 10 EDCDRO COCCCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775837931 580402312 /nfs/dbraw/zinc/40/23/12/580402312.db2.gz VMYCXAKATMWAGG-CQSZACIVSA-N 1 0 343.493 1.359 20 10 EDCDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1O ZINC000776042248 580406809 /nfs/dbraw/zinc/40/68/09/580406809.db2.gz PDSGVDNFCNMZNB-UHFFFAOYSA-N 1 0 334.441 1.910 20 10 EDCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000776811898 580429410 /nfs/dbraw/zinc/42/94/10/580429410.db2.gz CNNFQJDTIZVPTG-WBVHZDCISA-N 1 0 326.412 1.802 20 10 EDCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779061706 580478645 /nfs/dbraw/zinc/47/86/45/580478645.db2.gz PNXLHXGFIBOOIZ-OAHLLOKOSA-N 1 0 340.489 1.562 20 10 EDCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)CN1 ZINC000789766837 580752981 /nfs/dbraw/zinc/75/29/81/580752981.db2.gz AIPAYICUGVZISV-GOSISDBHSA-N 1 0 333.407 1.374 20 10 EDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@]2(CCOC2)O1 ZINC000794695497 580903274 /nfs/dbraw/zinc/90/32/74/580903274.db2.gz QZMVAGGAAPHRBA-YJBOKZPZSA-N 1 0 335.400 1.588 20 10 EDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000794832630 580906570 /nfs/dbraw/zinc/90/65/70/580906570.db2.gz APMVIMFRMJDZFS-CHWSQXEVSA-N 1 0 328.840 1.835 20 10 EDCDRO CC[C@H]1CC[N@@H+]1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000795651443 580932873 /nfs/dbraw/zinc/93/28/73/580932873.db2.gz YTJQJMIHBCIFJU-FUHWJXTLSA-N 1 0 333.476 1.662 20 10 EDCDRO CS(=O)(=O)NCC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000795669365 580933529 /nfs/dbraw/zinc/93/35/29/580933529.db2.gz FTNQGTQHOKISNR-UHFFFAOYSA-N 1 0 349.456 1.702 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CSC[C@H]3C)CC2)cc1 ZINC000796403522 580953193 /nfs/dbraw/zinc/95/31/93/580953193.db2.gz SUYLMYZLXWUOPL-RHSMWYFYSA-N 1 0 349.500 1.685 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1F ZINC000800309931 581050283 /nfs/dbraw/zinc/05/02/83/581050283.db2.gz QBYKPPWMTYQXCS-HIFRSBDPSA-N 1 0 343.468 1.699 20 10 EDCDRO CC[NH+]1CCN(CCC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760749 590748434 /nfs/dbraw/zinc/74/84/34/590748434.db2.gz YMDWJYLZDUIDDC-UHFFFAOYSA-N 1 0 325.840 1.689 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cn(C)cn2)[NH+](C)C)cc1 ZINC000891241253 591013078 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/nfs/dbraw/zinc/12/06/93/592120693.db2.gz FIRVTXTZBKNDBK-MBMVNNNZSA-N 1 0 334.416 1.878 20 10 EDCDRO CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCS(=O)(=O)C1 ZINC000903365810 592160072 /nfs/dbraw/zinc/16/00/72/592160072.db2.gz QLFKMZPFWFQJTF-QMTHXVAHSA-N 1 0 333.837 1.900 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@](C)(O)C(F)F)CC2)cc1 ZINC000905072139 592402216 /nfs/dbraw/zinc/40/22/16/592402216.db2.gz RFEGPMMOXAFVEK-KRWDZBQOSA-N 1 0 343.418 1.423 20 10 EDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)C2(C)CC2)[NH+](C)C)cc1 ZINC000908460189 592501086 /nfs/dbraw/zinc/50/10/86/592501086.db2.gz OCDYTMZRGJXSCW-OAHLLOKOSA-N 1 0 325.478 1.827 20 10 EDCDRO CCN(CC)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908458206 592507825 /nfs/dbraw/zinc/50/78/25/592507825.db2.gz UAVBNFDUGFNHDY-INIZCTEOSA-N 1 0 342.509 1.532 20 10 EDCDRO CC1(C)CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000911230200 592970541 /nfs/dbraw/zinc/97/05/41/592970541.db2.gz OZPMDNQFGJJLLO-INIZCTEOSA-N 1 0 344.459 1.099 20 10 EDCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000808446182 593259125 /nfs/dbraw/zinc/25/91/25/593259125.db2.gz JABFKIFPVBGSAI-NWANDNLSSA-N 1 0 332.400 1.858 20 10 EDCDRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000804031980 593382615 /nfs/dbraw/zinc/38/26/15/593382615.db2.gz ZVDFWHHSCXLESD-OAHLLOKOSA-N 1 0 348.491 1.778 20 10 EDCDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817587166 593614649 /nfs/dbraw/zinc/61/46/49/593614649.db2.gz VMDWXFCQQVWOBX-ZDUSSCGKSA-N 1 0 335.423 1.969 20 10 EDCDRO CN(CC[NH3+])C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000817915472 593648156 /nfs/dbraw/zinc/64/81/56/593648156.db2.gz LNFGWRWHFUEPGV-UHFFFAOYSA-N 1 0 333.432 1.471 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000817919654 593648730 /nfs/dbraw/zinc/64/87/30/593648730.db2.gz XJWGQIJLKUJTNF-UHFFFAOYSA-N 1 0 346.475 1.441 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000817974064 593652708 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COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000823247771 594175433 /nfs/dbraw/zinc/17/54/33/594175433.db2.gz KCHOABHKBGOZNJ-RDJZCZTQSA-N 1 0 346.475 1.915 20 10 EDCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3O)C2)CN1 ZINC000825732003 594233383 /nfs/dbraw/zinc/23/33/83/594233383.db2.gz NKUNLONAHWALJZ-AWEZNQCLSA-N 1 0 325.206 1.867 20 10 EDCDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@@H]2N1 ZINC000827133367 594646005 /nfs/dbraw/zinc/64/60/05/594646005.db2.gz UDKGICSRRWDQLW-RDJZCZTQSA-N 1 0 347.434 1.763 20 10 EDCDRO C[C@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000827469138 594674946 /nfs/dbraw/zinc/67/49/46/594674946.db2.gz NZQKFZFXONYONU-BEFAXECRSA-N 1 0 344.459 1.004 20 10 EDCDRO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832274824 594739651 /nfs/dbraw/zinc/73/96/51/594739651.db2.gz ZFNRFAPJPMLULL-UXLLHSPISA-N 1 0 347.459 1.848 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000840936025 594830355 /nfs/dbraw/zinc/83/03/55/594830355.db2.gz FVQUNQNORBLRQK-NVXWUHKLSA-N 1 0 339.505 1.869 20 10 EDCDRO CN(C)C(=O)N1CCC([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841046236 594843727 /nfs/dbraw/zinc/84/37/27/594843727.db2.gz YEKZWNBCSVFOCW-QGZVFWFLSA-N 1 0 333.480 1.488 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000841718351 594942702 /nfs/dbraw/zinc/94/27/02/594942702.db2.gz RXNUISUAINVMEL-QGZVFWFLSA-N 1 0 334.464 1.792 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000841720678 594943154 /nfs/dbraw/zinc/94/31/54/594943154.db2.gz YVRRRZPXBRQJGF-UHFFFAOYSA-N 1 0 347.507 1.627 20 10 EDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000841892265 594975149 /nfs/dbraw/zinc/97/51/49/594975149.db2.gz WAFZTDDVVJJSLS-SJORKVTESA-N 1 0 333.476 1.410 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCC(=O)OC)c1O ZINC000841891962 594975507 /nfs/dbraw/zinc/97/55/07/594975507.db2.gz AFAGPSKDUGSALX-ZDUSSCGKSA-N 1 0 336.388 1.045 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000841984997 594995547 /nfs/dbraw/zinc/99/55/47/594995547.db2.gz NCUUKVWNLACFFR-OAHLLOKOSA-N 1 0 334.464 1.915 20 10 EDCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842139085 595022150 /nfs/dbraw/zinc/02/21/50/595022150.db2.gz SOHNUNQGMJUDGS-MRXNPFEDSA-N 1 0 346.475 1.164 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000842151809 595023949 /nfs/dbraw/zinc/02/39/49/595023949.db2.gz CXIBCDFZRUIGQT-GDBMZVCRSA-N 1 0 346.475 1.263 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000842152359 595024370 /nfs/dbraw/zinc/02/43/70/595024370.db2.gz HKGRMDOQZOMHNM-GUYCJALGSA-N 1 0 346.475 1.263 20 10 EDCDRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842181866 595030427 /nfs/dbraw/zinc/03/04/27/595030427.db2.gz CIRKVGMUGMIJRP-OAGGEKHMSA-N 1 0 348.491 1.910 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000842203127 595036984 /nfs/dbraw/zinc/03/69/84/595036984.db2.gz PCNFVRLCXUXTOS-SQWLQELKSA-N 1 0 346.475 1.434 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203960 595038116 /nfs/dbraw/zinc/03/81/16/595038116.db2.gz ZIYDQNNBUBXJBN-KEYYUXOJSA-N 1 0 346.475 1.658 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000842239125 595050083 /nfs/dbraw/zinc/05/00/83/595050083.db2.gz CYWAEFAKRRNYEY-OAHLLOKOSA-N 1 0 333.432 1.389 20 10 EDCDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842241538 595051211 /nfs/dbraw/zinc/05/12/11/595051211.db2.gz DJNLPYQFSOWDIY-UHFFFAOYSA-N 1 0 346.475 1.260 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000846152800 595158942 /nfs/dbraw/zinc/15/89/42/595158942.db2.gz DEMCWWNRNSXQFE-IUODEOHRSA-N 1 0 334.416 1.831 20 10 EDCDRO CCN1C(=O)[C@@H]2C[N@H+](C/C=C\c3ccc(N(C)C)cc3)CCN2C1=O ZINC000835027976 595247349 /nfs/dbraw/zinc/24/73/49/595247349.db2.gz FRMOZULLIRHHTM-OSJSJHBBSA-N 1 0 342.443 1.734 20 10 EDCDRO COc1c(O)c(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)ccc1[N+](=O)[O-] ZINC000835073570 595257234 /nfs/dbraw/zinc/25/72/34/595257234.db2.gz NJYNENGIHDVSJI-RYUDHWBXSA-N 1 0 335.360 1.552 20 10 EDCDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843064066 595278473 /nfs/dbraw/zinc/27/84/73/595278473.db2.gz FYRLVBAAGBCPAC-LJQANCHMSA-N 1 0 336.476 1.771 20 10 EDCDRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174310 595291994 /nfs/dbraw/zinc/29/19/94/595291994.db2.gz VEJICJTUYXFKRQ-OAHLLOKOSA-N 1 0 341.402 1.494 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3([NH3+])CCCC3)cc2)C1 ZINC000844176698 595293196 /nfs/dbraw/zinc/29/31/96/595293196.db2.gz UQTVJVROYYARNJ-OAHLLOKOSA-N 1 0 344.459 1.276 20 10 EDCDRO CC[NH2+]CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000844178534 595293501 /nfs/dbraw/zinc/29/35/01/595293501.db2.gz ZKUNIVWHJGJIKA-UHFFFAOYSA-N 1 0 327.375 1.983 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1F ZINC000844190770 595297864 /nfs/dbraw/zinc/29/78/64/595297864.db2.gz NUXMWYGFCOUKHL-XJKSGUPXSA-N 1 0 335.423 1.871 20 10 EDCDRO C[NH2+]C1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000844218558 595304904 /nfs/dbraw/zinc/30/49/04/595304904.db2.gz COFOJCJMGCWGHS-UHFFFAOYSA-N 1 0 346.475 1.028 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000844224633 595308373 /nfs/dbraw/zinc/30/83/73/595308373.db2.gz RYFBTTYWYFSNPE-LJQANCHMSA-N 1 0 330.476 1.444 20 10 EDCDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000847339357 595399377 /nfs/dbraw/zinc/39/93/77/595399377.db2.gz UCYUGYOLIABXIU-UHFFFAOYSA-N 1 0 341.459 1.975 20 10 EDCDRO CCc1cccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000848909514 595466404 /nfs/dbraw/zinc/46/64/04/595466404.db2.gz VPKOPMLOLBOYNJ-HIFRSBDPSA-N 1 0 326.462 1.762 20 10 EDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566148 595535761 /nfs/dbraw/zinc/53/57/61/595535761.db2.gz KDKQDPZNSYAMFC-CYBMUJFWSA-N 1 0 326.462 1.170 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000852868564 595588389 /nfs/dbraw/zinc/58/83/89/595588389.db2.gz JQJHPMLFROKCNM-MJGOQNOKSA-N 1 0 329.444 1.264 20 10 EDCDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000852868569 595588675 /nfs/dbraw/zinc/58/86/75/595588675.db2.gz JRNJXJXAEWVCII-LJQANCHMSA-N 1 0 339.439 1.964 20 10 EDCDRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868730 595588679 /nfs/dbraw/zinc/58/86/79/595588679.db2.gz LMZMBUNZUOQICI-GOSISDBHSA-N 1 0 347.459 1.033 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852917167 595613544 /nfs/dbraw/zinc/61/35/44/595613544.db2.gz WIKVQZXHJOXINI-ZIAGYGMSSA-N 1 0 337.395 1.029 20 10 EDCDRO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(O)c1O ZINC000007126991 595673175 /nfs/dbraw/zinc/67/31/75/595673175.db2.gz JPWSKVCQGUCGJO-AWEZNQCLSA-N 1 0 325.328 1.552 20 10 EDCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)ccn1 ZINC000858135632 595709515 /nfs/dbraw/zinc/70/95/15/595709515.db2.gz AONVELYIAJJVPV-UHFFFAOYSA-N 1 0 345.468 1.915 20 10 EDCDRO Cn1cc([C@@H](O)C[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858146184 595712003 /nfs/dbraw/zinc/71/20/03/595712003.db2.gz SHNMPCYJJLHGHX-ZDUSSCGKSA-N 1 0 326.194 1.711 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000851663814 595874256 /nfs/dbraw/zinc/87/42/56/595874256.db2.gz JZWHWQREHMCQPG-INIZCTEOSA-N 1 0 346.475 1.589 20 10 EDCDRO CCOC(=O)C[C@@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000859085706 595971971 /nfs/dbraw/zinc/97/19/71/595971971.db2.gz BOWYLCZXUANEFL-MRXNPFEDSA-N 1 0 336.432 1.521 20 10 EDCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230409 596008848 /nfs/dbraw/zinc/00/88/48/596008848.db2.gz OXRTXIPZDVGDKE-RDJZCZTQSA-N 1 0 333.476 1.504 20 10 EDCDRO CCN1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854301695 596027218 /nfs/dbraw/zinc/02/72/18/596027218.db2.gz CQVYJVGBIVGDPJ-HNNXBMFYSA-N 1 0 332.448 1.621 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000861658810 596058415 /nfs/dbraw/zinc/05/84/15/596058415.db2.gz OBVICVMZKDRMRW-WMLDXEAASA-N 1 0 344.459 1.858 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000852180154 596072560 /nfs/dbraw/zinc/07/25/60/596072560.db2.gz IGPKTEBYOJBRSG-HNNXBMFYSA-N 1 0 332.448 1.667 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000852186764 596076462 /nfs/dbraw/zinc/07/64/62/596076462.db2.gz HZEYBYGOOIJLJS-HUUCEWRRSA-N 1 0 332.448 1.667 20 10 EDCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+](C)C ZINC000852372018 596139290 /nfs/dbraw/zinc/13/92/90/596139290.db2.gz PVFPXWZARHEIJP-AWEZNQCLSA-N 1 0 334.464 1.397 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+](C3CC3)C3CC3)CC2)cc1 ZINC000859626925 596151283 /nfs/dbraw/zinc/15/12/83/596151283.db2.gz HQYAWUSIQJBZLK-LJQANCHMSA-N 1 0 345.487 1.805 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000857102700 596158425 /nfs/dbraw/zinc/15/84/25/596158425.db2.gz KRLSLSXJHGGMKB-RFUYNDQBSA-N 1 0 344.459 1.270 20 10 EDCDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1 ZINC000857340563 596215812 /nfs/dbraw/zinc/21/58/12/596215812.db2.gz YUDKTJJUNUQYRV-NSHDSACASA-N 1 0 326.368 1.420 20 10 EDCDRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(Cl)cc1O ZINC000866520501 596238691 /nfs/dbraw/zinc/23/86/91/596238691.db2.gz BUBMQEBAKKOIFR-MEBBXXQBSA-N 1 0 326.780 1.917 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1 ZINC000862483913 596335663 /nfs/dbraw/zinc/33/56/63/596335663.db2.gz XRUWDSNXHKYUHK-UHFFFAOYSA-N 1 0 345.403 1.318 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1O ZINC000862505911 596338799 /nfs/dbraw/zinc/33/87/99/596338799.db2.gz YHBHHVNGIWNQML-UHFFFAOYSA-N 1 0 333.432 1.125 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000862551762 596344639 /nfs/dbraw/zinc/34/46/39/596344639.db2.gz PLAKMNOHEIKGED-GFCCVEGCSA-N 1 0 328.434 1.162 20 10 EDCDRO C[C@H]1CCn2cc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)nc2C1 ZINC000870932457 596410755 /nfs/dbraw/zinc/41/07/55/596410755.db2.gz FQYDBOVNKROFNP-XJKSGUPXSA-N 1 0 341.459 1.961 20 10 EDCDRO CN1CCCc2cc(CNC(=O)c3cnn(CC[NH+](C)C)c3)ccc21 ZINC000865055167 596456926 /nfs/dbraw/zinc/45/69/26/596456926.db2.gz ZMNOQZTUOJEQCU-UHFFFAOYSA-N 1 0 341.459 1.757 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCOCC2)cc1Cn1cccn1 ZINC000873055032 597173539 /nfs/dbraw/zinc/17/35/39/597173539.db2.gz BNPJCICTBIZAIN-GOSISDBHSA-N 1 0 345.443 1.817 20 10 EDCDRO CC(=O)N1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876554789 597238566 /nfs/dbraw/zinc/23/85/66/597238566.db2.gz SIBQADWEJFVXRT-UHFFFAOYSA-N 1 0 331.460 1.702 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876726534 597307557 /nfs/dbraw/zinc/30/75/57/597307557.db2.gz JUBNVPWWIDTNBA-MJGOQNOKSA-N 1 0 329.444 1.672 20 10 EDCDRO [NH3+][C@H]1CC=C(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000876729057 597309914 /nfs/dbraw/zinc/30/99/14/597309914.db2.gz CVNWUEYUEVHXBM-KRWDZBQOSA-N 1 0 329.444 1.559 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@]3(C)C[C@@H](OC)C[NH2+]3)CC2)cc1 ZINC000876732857 597312418 /nfs/dbraw/zinc/31/24/18/597312418.db2.gz HVKNIIBWMCSCEM-MJGOQNOKSA-N 1 0 347.459 1.501 20 10 EDCDRO C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000876739178 597315958 /nfs/dbraw/zinc/31/59/58/597315958.db2.gz AKHALLAQLKUASD-HNAYVOBHSA-N 1 0 347.459 1.456 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2([S@](C)=O)CC[NH2+]CC2)c1 ZINC000876879643 597366954 /nfs/dbraw/zinc/36/69/54/597366954.db2.gz UHJBRTMVLWAWFC-RULNZOCKSA-N 1 0 340.445 1.079 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000876931684 597388850 /nfs/dbraw/zinc/38/88/50/597388850.db2.gz RXDNGDFVYSTNOF-CKEIUWERSA-N 1 0 335.423 1.585 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000876963614 597399841 /nfs/dbraw/zinc/39/98/41/597399841.db2.gz FXFUETDHBBXZJZ-UHFFFAOYSA-N 1 0 341.411 1.979 20 10 EDCDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)ccc1OCC(N)=O ZINC000876982568 597404368 /nfs/dbraw/zinc/40/43/68/597404368.db2.gz BWJCRZQMJLVVIY-UHFFFAOYSA-N 1 0 330.384 1.863 20 10 EDCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000877046159 597420856 /nfs/dbraw/zinc/42/08/56/597420856.db2.gz JLDWLMHWUHXAFA-AWEZNQCLSA-N 1 0 342.461 1.279 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)c(OC)c1 ZINC000877227709 597467879 /nfs/dbraw/zinc/46/78/79/597467879.db2.gz MXBTXLFFIQVSHT-GOEBONIOSA-N 1 0 347.459 1.870 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(CCO)(CCO)CC2)cc1OC ZINC000877692418 597548103 /nfs/dbraw/zinc/54/81/03/597548103.db2.gz ZZROBAACNHMMRO-UHFFFAOYSA-N 1 0 339.432 1.756 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000879615829 597659176 /nfs/dbraw/zinc/65/91/76/597659176.db2.gz BOFABLXHWDKMMJ-KRWDZBQOSA-N 1 0 333.476 1.804 20 10 EDCDRO Cc1ocnc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883589958 597816972 /nfs/dbraw/zinc/81/69/72/597816972.db2.gz VRMLCZCSTNTFAP-UHFFFAOYSA-N 1 0 343.431 1.734 20 10 EDCDRO Cc1nnccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000879188808 597844817 /nfs/dbraw/zinc/84/48/17/597844817.db2.gz YVEJBZIALTWIFS-UHFFFAOYSA-N 1 0 340.431 1.859 20 10 EDCDRO COCC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883767289 597893171 /nfs/dbraw/zinc/89/31/71/597893171.db2.gz ZGAVZNYBMSNHSQ-UHFFFAOYSA-N 1 0 346.475 1.664 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC000879417856 597912456 /nfs/dbraw/zinc/91/24/56/597912456.db2.gz BCJVTXQXQCOWSB-QRVBRYPASA-N 1 0 345.487 1.994 20 10 EDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129603701 597949116 /nfs/dbraw/zinc/94/91/16/597949116.db2.gz OJGGSNYIINFFGF-OCCSQVGLSA-N 1 0 328.840 1.835 20 10 EDCDRO COc1ccc(-n2nnnc2C[NH2+]C[C@@H]2CC[C@H](NC(C)=O)C2)cc1 ZINC000994569900 697159522 /nfs/dbraw/zinc/15/95/22/697159522.db2.gz GOVJBQJLAVNWOO-KGLIPLIRSA-N 1 0 344.419 1.065 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](O)C3CCCCC3)cc2)CC1 ZINC000918852891 697216952 /nfs/dbraw/zinc/21/69/52/697216952.db2.gz ZIMXWOJMBHMTMW-IBGZPJMESA-N 1 0 345.487 1.996 20 10 EDCDRO CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918914102 697223558 /nfs/dbraw/zinc/22/35/58/697223558.db2.gz QSMMAFNRAUGWDZ-QWNKOJSDSA-N 1 0 331.460 1.772 20 10 EDCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C3(C(N)=O)CC3)CC2)cc1C ZINC000996943254 703212455 /nfs/dbraw/zinc/21/24/55/703212455.db2.gz UIZOTBGYUNXNMI-UHFFFAOYSA-N 1 0 345.443 1.350 20 10 EDCDRO O=C1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H]([C@@H]2CCCO2)N1 ZINC000922384546 711438976 /nfs/dbraw/zinc/43/89/76/711438976.db2.gz CXSWZGAHLNDMOX-HHXXYDBFSA-N 1 0 330.428 1.927 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)cc1 ZINC000101629348 237037200 /nfs/dbraw/zinc/03/72/00/237037200.db2.gz HXSPICLUANQKFS-UHFFFAOYSA-N 1 0 345.365 1.886 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359959165 201118977 /nfs/dbraw/zinc/11/89/77/201118977.db2.gz LRYWEOPPMNNJSI-HOTGVXAUSA-N 1 0 349.475 1.458 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000269231699 249378129 /nfs/dbraw/zinc/37/81/29/249378129.db2.gz CXJWUTNNPIQLSL-VNHYZAJKSA-N 1 0 335.423 1.665 20 10 EDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372492845 250221018 /nfs/dbraw/zinc/22/10/18/250221018.db2.gz SSZVWBIZEDLQGF-MRXNPFEDSA-N 1 0 332.448 1.199 20 10 EDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373737921 250243218 /nfs/dbraw/zinc/24/32/18/250243218.db2.gz MDKFGSMCRYDOQJ-NJAFHUGGSA-N 1 0 329.444 1.609 20 10 EDCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377713796 250290808 /nfs/dbraw/zinc/29/08/08/250290808.db2.gz BGMVXFLQYJBWEW-YLJYHZDGSA-N 1 0 345.487 1.818 20 10 EDCDRO COc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000063201913 441317767 /nfs/dbraw/zinc/31/77/67/441317767.db2.gz LZPPLGCILPQWAY-UHFFFAOYSA-N 1 0 334.441 1.983 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1OC ZINC000160301093 441871613 /nfs/dbraw/zinc/87/16/13/441871613.db2.gz MCEOFZOMQVDKTF-HNNXBMFYSA-N 1 0 336.432 1.706 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(c3nncn3C)CC2)cc1OC ZINC000159788346 441838524 /nfs/dbraw/zinc/83/85/24/441838524.db2.gz KKTLPZLCVRQLKB-UHFFFAOYSA-N 1 0 332.404 1.918 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[N@H+](CC)CC1)cc2=O ZINC000118826993 441905355 /nfs/dbraw/zinc/90/53/55/441905355.db2.gz FOZQNNNOYQRYRM-UHFFFAOYSA-N 1 0 347.419 1.139 20 10 EDCDRO CC(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCN(C)CC1 ZINC000079126512 442023296 /nfs/dbraw/zinc/02/32/96/442023296.db2.gz FHGVRRFSTOJKCU-QGZVFWFLSA-N 1 0 348.491 1.806 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130659040 442352994 /nfs/dbraw/zinc/35/29/94/442352994.db2.gz YTDFNJGNUJBBSY-JKSUJKDBSA-N 1 0 332.448 1.003 20 10 EDCDRO CCOCC[N@H+](CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000171635101 442364943 /nfs/dbraw/zinc/36/49/43/442364943.db2.gz SHYMWUCKPAOFGO-UHFFFAOYSA-N 1 0 349.475 1.702 20 10 EDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171937237 442391376 /nfs/dbraw/zinc/39/13/76/442391376.db2.gz FLDLXVMOCJZEAH-CQSZACIVSA-N 1 0 340.379 1.481 20 10 EDCDRO Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(O)c1O ZINC000179486757 442465066 /nfs/dbraw/zinc/46/50/66/442465066.db2.gz VNNKPSLGHNJNHL-OAHLLOKOSA-N 1 0 347.459 1.648 20 10 EDCDRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1O ZINC000183601024 442945256 /nfs/dbraw/zinc/94/52/56/442945256.db2.gz LKSPQFATVFTUKX-UONOGXRCSA-N 1 0 342.461 1.531 20 10 EDCDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000268776845 443104974 /nfs/dbraw/zinc/10/49/74/443104974.db2.gz WDNCMHWFYFWBJH-HUUCEWRRSA-N 1 0 338.473 1.609 20 10 EDCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000282502134 443357941 /nfs/dbraw/zinc/35/79/41/443357941.db2.gz YFQAIERSJKTFNT-HEHGZKQESA-N 1 0 335.423 1.980 20 10 EDCDRO C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000270547943 443475256 /nfs/dbraw/zinc/47/52/56/443475256.db2.gz AEKXENJMJHZYQF-YJBOKZPZSA-N 1 0 332.492 1.593 20 10 EDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000275544036 443631691 /nfs/dbraw/zinc/63/16/91/443631691.db2.gz ZJVPGTHQJIQVQZ-UHFFFAOYSA-N 1 0 346.475 1.807 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000298215556 443722099 /nfs/dbraw/zinc/72/20/99/443722099.db2.gz HQTXGHRZKBLASL-UHFFFAOYSA-N 1 0 348.491 1.510 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1OC ZINC000285061195 443841000 /nfs/dbraw/zinc/84/10/00/443841000.db2.gz IIYHJRFDOMWOHK-UKRRQHHQSA-N 1 0 336.432 1.704 20 10 EDCDRO CC[N@H+](CCOC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000299122682 443960640 /nfs/dbraw/zinc/96/06/40/443960640.db2.gz HHBOGYFLWYVJEA-UHFFFAOYSA-N 1 0 335.448 1.312 20 10 EDCDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000277360909 443967605 /nfs/dbraw/zinc/96/76/05/443967605.db2.gz BVYUQCSJWLPBRN-TUVQABDQSA-N 1 0 329.444 1.651 20 10 EDCDRO CCOC(=O)[C@@H](F)C1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000293812223 444089966 /nfs/dbraw/zinc/08/99/66/444089966.db2.gz FGUPJCXDVXLDSO-LBPRGKRZSA-N 1 0 342.323 1.642 20 10 EDCDRO COc1c(O)c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278202535 444117301 /nfs/dbraw/zinc/11/73/01/444117301.db2.gz JBYURVIGQHMMPE-NEPJUHHUSA-N 1 0 339.392 1.196 20 10 EDCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000294693006 444136731 /nfs/dbraw/zinc/13/67/31/444136731.db2.gz BXBGWDFCTWEWJI-CYBMUJFWSA-N 1 0 340.420 1.718 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CO)C1CCCC1)cc2=O ZINC000289565879 444173351 /nfs/dbraw/zinc/17/33/51/444173351.db2.gz PHRSKSHVKHDVTB-AWEZNQCLSA-N 1 0 348.403 1.252 20 10 EDCDRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000296654777 444245927 /nfs/dbraw/zinc/24/59/27/444245927.db2.gz ZFOJFONMENQVHM-SJCJKPOMSA-N 1 0 339.457 1.471 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364556953 445933310 /nfs/dbraw/zinc/93/33/10/445933310.db2.gz AZRXCQXSQCSMMY-RDTXWAMCSA-N 1 0 333.407 1.278 20 10 EDCDRO COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000364588746 445934436 /nfs/dbraw/zinc/93/44/36/445934436.db2.gz LTMAIKLRMVUWAA-XHVZSJERSA-N 1 0 335.360 1.395 20 10 EDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000370142860 446185782 /nfs/dbraw/zinc/18/57/82/446185782.db2.gz OSNYOPTYYIWMKY-AWEZNQCLSA-N 1 0 335.448 1.558 20 10 EDCDRO O=C1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2(CCC2)N1 ZINC000374644477 446381698 /nfs/dbraw/zinc/38/16/98/446381698.db2.gz WGFCAGBWUQDUJU-KRWDZBQOSA-N 1 0 329.444 1.814 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000375039456 446535942 /nfs/dbraw/zinc/53/59/42/446535942.db2.gz NANSKZLAWUMODX-PKOBYXMFSA-N 1 0 344.503 1.737 20 10 EDCDRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000375408078 446779225 /nfs/dbraw/zinc/77/92/25/446779225.db2.gz AJKBQGLKRRUCGD-LBTNJELSSA-N 1 0 335.400 1.873 20 10 EDCDRO COCC[C@@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CC[NH2+]C1 ZINC000372099890 447000170 /nfs/dbraw/zinc/00/01/70/447000170.db2.gz ZNYRPSVNPJJZMA-IBGZPJMESA-N 1 0 331.460 1.701 20 10 EDCDRO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000375833093 447089481 /nfs/dbraw/zinc/08/94/81/447089481.db2.gz ZPKCWESYPLBBGA-UHFFFAOYSA-N 1 0 345.399 1.544 20 10 EDCDRO CNC(=O)[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)c2ccccc2O1 ZINC000662248802 452971587 /nfs/dbraw/zinc/97/15/87/452971587.db2.gz JUTNDFCGLPBBJU-IBGZPJMESA-N 1 0 337.423 1.846 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3=CC(=O)CS3)cn2)CC1 ZINC000731871751 578681878 /nfs/dbraw/zinc/68/18/78/578681878.db2.gz MFMOOXFTQDURAN-UHFFFAOYSA-N 1 0 346.456 1.921 20 10 EDCDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000736663789 579009799 /nfs/dbraw/zinc/00/97/99/579009799.db2.gz AHHMXVCWVCMMGZ-OLZOCXBDSA-N 1 0 337.420 1.482 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3ccnc3C)CC2)cc1 ZINC000754073947 579895636 /nfs/dbraw/zinc/89/56/36/579895636.db2.gz DZJZNLUOXOGLAP-KRWDZBQOSA-N 1 0 330.432 1.383 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000756408487 579949654 /nfs/dbraw/zinc/94/96/54/579949654.db2.gz OOXLYKNDMNXUTA-HNNXBMFYSA-N 1 0 349.475 1.857 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc2ccccc2c1O ZINC000756488277 579950906 /nfs/dbraw/zinc/95/09/06/579950906.db2.gz BXJYMGLHPFQXDS-CQSZACIVSA-N 1 0 327.428 1.970 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CCN3CCOC[C@@H]3C)CC2)cc1 ZINC000765733104 580150169 /nfs/dbraw/zinc/15/01/69/580150169.db2.gz NLFBUNQEJNJWEN-INIZCTEOSA-N 1 0 333.476 1.974 20 10 EDCDRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000773277492 580332486 /nfs/dbraw/zinc/33/24/86/580332486.db2.gz SEZMRUWBLFXMTB-QGTPRVQTSA-N 1 0 346.475 1.976 20 10 EDCDRO COC1(CO)CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000773945839 580349957 /nfs/dbraw/zinc/34/99/57/580349957.db2.gz QOYVOIQQOZDZGJ-UHFFFAOYSA-N 1 0 349.475 1.184 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 ZINC000775369787 580389398 /nfs/dbraw/zinc/38/93/98/580389398.db2.gz QWONHPMBSGKMIN-NEPJUHHUSA-N 1 0 349.431 1.177 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2nc3ccccn3c2=O)c1 ZINC000775370969 580389467 /nfs/dbraw/zinc/38/94/67/580389467.db2.gz KODUPQVSNYZTBF-GFCCVEGCSA-N 1 0 328.372 1.561 20 10 EDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000775700153 580397689 /nfs/dbraw/zinc/39/76/89/580397689.db2.gz CLZRBMUSNHFWIF-GFCCVEGCSA-N 1 0 332.322 1.996 20 10 EDCDRO C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000775832318 580402133 /nfs/dbraw/zinc/40/21/33/580402133.db2.gz YQQGBBFTIHLTQR-HNNXBMFYSA-N 1 0 347.459 1.769 20 10 EDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000787422691 580694984 /nfs/dbraw/zinc/69/49/84/580694984.db2.gz JATMOCXMIGPFII-RKVPGOIHSA-N 1 0 347.434 1.748 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[NH2+]C3(C(=O)[O-])CCOCC3)cc2)CC1 ZINC000789902459 580756532 /nfs/dbraw/zinc/75/65/32/580756532.db2.gz OQGFQPLUCOLSMX-UHFFFAOYSA-N 1 0 333.432 1.162 20 10 EDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000793792541 580856364 /nfs/dbraw/zinc/85/63/64/580856364.db2.gz HFGYTSORPXPUKP-HUUCEWRRSA-N 1 0 348.491 1.776 20 10 EDCDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000800310106 581050294 /nfs/dbraw/zinc/05/02/94/581050294.db2.gz SBTYUQXGAPRKDS-MFKMUULPSA-N 1 0 332.853 1.853 20 10 EDCDRO COc1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(O)c1OC ZINC000891925031 590691475 /nfs/dbraw/zinc/69/14/75/590691475.db2.gz QSIWPTKRAHBRSZ-LSDHHAIUSA-N 1 0 336.432 1.440 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(O)c1OC ZINC000893282510 590752632 /nfs/dbraw/zinc/75/26/32/590752632.db2.gz DSVZSODGRVOWKD-GXTWGEPZSA-N 1 0 338.404 1.135 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(=O)N2C)[NH+](C)C)cc1 ZINC000891243308 591013724 /nfs/dbraw/zinc/01/37/24/591013724.db2.gz LLCUVVJEAJWKFV-CVEARBPZSA-N 1 0 332.448 1.092 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCN(C)C2=O)[NH+](C)C)cc1 ZINC000891245984 591015516 /nfs/dbraw/zinc/01/55/16/591015516.db2.gz LEWDNHDGIJJWDU-LPHOPBHVSA-N 1 0 346.475 1.340 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cncc(O)c2)[NH+](C)C)cc1 ZINC000891247007 591016368 /nfs/dbraw/zinc/01/63/68/591016368.db2.gz GKSWNTYSTVXNHS-SFHVURJKSA-N 1 0 342.443 1.815 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)COCC(F)F)[NH+](C)C)cc1 ZINC000891248582 591017293 /nfs/dbraw/zinc/01/72/93/591017293.db2.gz ZEYBXULOABCVHT-CQSZACIVSA-N 1 0 329.391 1.753 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2cncnc2)[NH+](C)C)cc1 ZINC000891249685 591018641 /nfs/dbraw/zinc/01/86/41/591018641.db2.gz RXFOGDWYKUWXDU-SFHVURJKSA-N 1 0 341.459 1.894 20 10 EDCDRO Cc1noc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891252114 591019512 /nfs/dbraw/zinc/01/95/12/591019512.db2.gz GJKAWZNGZZGWAO-INIZCTEOSA-N 1 0 345.447 1.796 20 10 EDCDRO COC(=O)C[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252728 591020397 /nfs/dbraw/zinc/02/03/97/591020397.db2.gz NELWXJLQTVBOOP-CZUORRHYSA-N 1 0 335.448 1.671 20 10 EDCDRO CCNC(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252439 591020439 /nfs/dbraw/zinc/02/04/39/591020439.db2.gz LMFMYZJQGWYNIN-QGZVFWFLSA-N 1 0 348.491 1.778 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCCNC(N)=O)[NH+](C)C)cc1 ZINC000891255009 591022047 /nfs/dbraw/zinc/02/20/47/591022047.db2.gz MPWKNKLESTXUON-MRXNPFEDSA-N 1 0 349.479 1.310 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c(O)c1OC ZINC000892672259 591121712 /nfs/dbraw/zinc/12/17/12/591121712.db2.gz INORSEHVXSVYBY-CQSZACIVSA-N 1 0 347.415 1.765 20 10 EDCDRO CCCNC(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891592853 591139581 /nfs/dbraw/zinc/13/95/81/591139581.db2.gz OHLNJTOBJPZJLD-INIZCTEOSA-N 1 0 349.479 1.181 20 10 EDCDRO COc1cccc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1O ZINC000892776745 591172067 /nfs/dbraw/zinc/17/20/67/591172067.db2.gz HWXXLFUFNXQKDN-AWEZNQCLSA-N 1 0 349.431 1.359 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCC(C)(C)O)[NH+](C)C)cc1 ZINC000894295345 591269930 /nfs/dbraw/zinc/26/99/30/591269930.db2.gz REXDUIFKLUYYOR-MRXNPFEDSA-N 1 0 336.480 1.816 20 10 EDCDRO CNC(=O)C1([NH2+]Cc2c(O)cccc2Br)CCOCC1 ZINC000895885534 591296894 /nfs/dbraw/zinc/29/68/94/591296894.db2.gz QXGWNASCVAHCNG-UHFFFAOYSA-N 1 0 343.221 1.540 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000894755888 591409237 /nfs/dbraw/zinc/40/92/37/591409237.db2.gz XKPVGYRARUSUMC-UHFFFAOYSA-N 1 0 333.388 1.320 20 10 EDCDRO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]1 ZINC000895007269 591525566 /nfs/dbraw/zinc/52/55/66/591525566.db2.gz AUGMRUHTZBFKAE-INIZCTEOSA-N 1 0 327.432 1.939 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@H](CO)C2)[NH+](C)C)cc1 ZINC000899095407 591676501 /nfs/dbraw/zinc/67/65/01/591676501.db2.gz JLRWXTIWRSTKFT-FRFSOERESA-N 1 0 334.464 1.425 20 10 EDCDRO C[C@H](O)CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103868 591683429 /nfs/dbraw/zinc/68/34/29/591683429.db2.gz OHUAVHDWACFRDL-YOEHRIQHSA-N 1 0 336.480 1.768 20 10 EDCDRO C/C=C/C[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105000 591684947 /nfs/dbraw/zinc/68/49/47/591684947.db2.gz UWDITUZPKDPPQV-WXYTYNPNSA-N 1 0 348.491 1.982 20 10 EDCDRO CC[C@@H](CO)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098438 591688402 /nfs/dbraw/zinc/68/84/02/591688402.db2.gz OBJGZYLCTFQDEG-RDJZCZTQSA-N 1 0 336.480 1.768 20 10 EDCDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H]1CO ZINC000899100669 591689987 /nfs/dbraw/zinc/68/99/87/591689987.db2.gz CABHJRTZOUDJDX-FHLIZLRMSA-N 1 0 348.491 1.768 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2COCC[C@H]2OC)cc1Cn1cccn1 ZINC000897889100 591708392 /nfs/dbraw/zinc/70/83/92/591708392.db2.gz NMALXLWFTHKHOD-SJLPKXTDSA-N 1 0 331.416 1.834 20 10 EDCDRO C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@]1(CO)CCOC1 ZINC000895385494 591739435 /nfs/dbraw/zinc/73/94/35/591739435.db2.gz FDRMSNMUQVHFOH-ZDUSSCGKSA-N 1 0 334.185 1.877 20 10 EDCDRO COc1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c1OC ZINC000895473928 591770306 /nfs/dbraw/zinc/77/03/06/591770306.db2.gz RBLDZRGMYZNMPS-HNNXBMFYSA-N 1 0 338.448 1.952 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000898348630 591881130 /nfs/dbraw/zinc/88/11/30/591881130.db2.gz QPXNJFWNAXNOFJ-HOTGVXAUSA-N 1 0 334.416 1.550 20 10 EDCDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000903368287 592161083 /nfs/dbraw/zinc/16/10/83/592161083.db2.gz MPQZFIYPJDGHSZ-SJORKVTESA-N 1 0 340.489 1.997 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000905008088 592366452 /nfs/dbraw/zinc/36/64/52/592366452.db2.gz MEUMBNHBLCSJRL-IBGZPJMESA-N 1 0 344.459 1.066 20 10 EDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CC2CC2)[NH+](C)C)cc1 ZINC000908457609 592507588 /nfs/dbraw/zinc/50/75/88/592507588.db2.gz HKAJLHWXPSBMJG-INIZCTEOSA-N 1 0 325.478 1.685 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C2CC2)cc1 ZINC000905916226 592680781 /nfs/dbraw/zinc/68/07/81/592680781.db2.gz VGAHWMGFVXNKJR-OALUTQOASA-N 1 0 334.460 1.619 20 10 EDCDRO C[NH2+]CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000911123720 592929273 /nfs/dbraw/zinc/92/92/73/592929273.db2.gz IHMLSGHCTKSAEK-UHFFFAOYSA-N 1 0 334.464 1.134 20 10 EDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cc(Br)ccc1O ZINC000807575983 593182925 /nfs/dbraw/zinc/18/29/25/593182925.db2.gz KZFWOCCZOPIJIB-VIFPVBQESA-N 1 0 330.226 1.904 20 10 EDCDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000795689519 593190412 /nfs/dbraw/zinc/19/04/12/593190412.db2.gz HWZQLLXIBMLKKS-IFIJOSMWSA-N 1 0 334.416 1.113 20 10 EDCDRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000808427279 593258351 /nfs/dbraw/zinc/25/83/51/593258351.db2.gz NMKNBWLCRZIIFV-MRXNPFEDSA-N 1 0 338.473 1.438 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000803178314 593307802 /nfs/dbraw/zinc/30/78/02/593307802.db2.gz RSTHTRICAFEHIC-HNNXBMFYSA-N 1 0 344.459 1.030 20 10 EDCDRO CC(C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H]1CCC(=O)N1 ZINC000839669363 593366746 /nfs/dbraw/zinc/36/67/46/593366746.db2.gz OXTRYVCPTFELSV-INIZCTEOSA-N 1 0 346.475 1.358 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1O ZINC000806170742 593431363 /nfs/dbraw/zinc/43/13/63/593431363.db2.gz BCXKQWMROFHUJX-CHWSQXEVSA-N 1 0 327.450 1.314 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000814227160 593579650 /nfs/dbraw/zinc/57/96/50/593579650.db2.gz QSAHDVSTCVUIKO-CYBMUJFWSA-N 1 0 327.446 1.966 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000817950391 593651345 /nfs/dbraw/zinc/65/13/45/593651345.db2.gz VIDDPYIUMDJILW-INIZCTEOSA-N 1 0 349.475 1.963 20 10 EDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000818341808 593693919 /nfs/dbraw/zinc/69/39/19/593693919.db2.gz GUYDTMLOEXIFKN-GJZGRUSLSA-N 1 0 338.473 1.688 20 10 EDCDRO CC[NH2+]CCCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818653666 593710372 /nfs/dbraw/zinc/71/03/72/593710372.db2.gz QKHJRZPKROOOJE-HNNXBMFYSA-N 1 0 334.464 1.820 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[NH2+]C3CC3)C2)cc1 ZINC000818654982 593710442 /nfs/dbraw/zinc/71/04/42/593710442.db2.gz GWICLQVKEYUEQM-AWEZNQCLSA-N 1 0 332.448 1.573 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000818654483 593710457 /nfs/dbraw/zinc/71/04/57/593710457.db2.gz BPARMHRABZWPQS-RKVPGOIHSA-N 1 0 344.459 1.525 20 10 EDCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968248 593731222 /nfs/dbraw/zinc/73/12/22/593731222.db2.gz OZOLADUBZNEXNI-GDBMZVCRSA-N 1 0 337.489 1.202 20 10 EDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COC1CCOCC1 ZINC000819094767 593738575 /nfs/dbraw/zinc/73/85/75/593738575.db2.gz LRPVQQDSMTWPJJ-SFHVURJKSA-N 1 0 332.444 1.709 20 10 EDCDRO COCCC[N@H+](C)CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168553 593742354 /nfs/dbraw/zinc/74/23/54/593742354.db2.gz QNACEAQQZPXHKL-UHFFFAOYSA-N 1 0 335.404 1.125 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[N@H+](C)CC3)C2)cc1 ZINC000824693020 594057656 /nfs/dbraw/zinc/05/76/56/594057656.db2.gz JAKDIKAEJFCJEU-INIZCTEOSA-N 1 0 346.475 1.869 20 10 EDCDRO COc1c(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000822503675 594058807 /nfs/dbraw/zinc/05/88/07/594058807.db2.gz KSBBCFKXDOYAAN-LBPRGKRZSA-N 1 0 333.348 1.738 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000828519113 594443841 /nfs/dbraw/zinc/44/38/41/594443841.db2.gz FXWNKZYTOQWJHJ-ZDUSSCGKSA-N 1 0 340.807 1.641 20 10 EDCDRO C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000831017989 594538992 /nfs/dbraw/zinc/53/89/92/594538992.db2.gz NCDAPHSARGRLJX-KBXCAEBGSA-N 1 0 332.448 1.635 20 10 EDCDRO [NH3+]Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000827364246 594664970 /nfs/dbraw/zinc/66/49/70/594664970.db2.gz GHYHUDAVDAPLAX-UHFFFAOYSA-N 1 0 347.390 1.769 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+]C3CC3)cc2F)C[C@H](C)O1 ZINC000827365684 594665104 /nfs/dbraw/zinc/66/51/04/594665104.db2.gz UYRFKVCEKOJBRU-BETUJISGSA-N 1 0 335.423 1.808 20 10 EDCDRO C[C@H](NC(=O)C1CCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273318 594739567 /nfs/dbraw/zinc/73/95/67/594739567.db2.gz NHUCUKAQDNJUFB-SUMWQHHRSA-N 1 0 346.475 1.564 20 10 EDCDRO C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293602 594740814 /nfs/dbraw/zinc/74/08/14/594740814.db2.gz YLTOIKFFOYQINK-WFASDCNBSA-N 1 0 334.464 1.419 20 10 EDCDRO COc1ccc(N(C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1Cl ZINC000841011082 594838409 /nfs/dbraw/zinc/83/84/09/594838409.db2.gz CCMZXHKSKLZBPB-GFCCVEGCSA-N 1 0 325.840 1.982 20 10 EDCDRO COCCCn1nccc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841042027 594843351 /nfs/dbraw/zinc/84/33/51/594843351.db2.gz JJHMMFXHYMNOOB-GOSISDBHSA-N 1 0 331.464 1.775 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000841720024 594943194 /nfs/dbraw/zinc/94/31/94/594943194.db2.gz SMBCJYAKDIGNSW-RHSMWYFYSA-N 1 0 334.464 1.790 20 10 EDCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[NH+](C)C ZINC000836256634 594943787 /nfs/dbraw/zinc/94/37/87/594943787.db2.gz SNLJKPZWZBZNIU-GJZGRUSLSA-N 1 0 334.464 1.834 20 10 EDCDRO C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841742091 594946076 /nfs/dbraw/zinc/94/60/76/594946076.db2.gz UASLKCSKJJRBDB-HOTGVXAUSA-N 1 0 346.475 1.883 20 10 EDCDRO CCC[NH2+]CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841741665 594946232 /nfs/dbraw/zinc/94/62/32/594946232.db2.gz PHVJDZDRTGFVLB-HNNXBMFYSA-N 1 0 334.464 1.883 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000841928429 594983747 /nfs/dbraw/zinc/98/37/47/594983747.db2.gz UOBFEKMSJKOZAB-KRWDZBQOSA-N 1 0 346.475 1.664 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000841959674 594990126 /nfs/dbraw/zinc/99/01/26/594990126.db2.gz ZLNXBSSZDBNVQL-INIZCTEOSA-N 1 0 332.448 1.175 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842203730 595037803 /nfs/dbraw/zinc/03/78/03/595037803.db2.gz WYWGMVXOADMJFP-FZKQIMNGSA-N 1 0 332.448 1.127 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000842207100 595038917 /nfs/dbraw/zinc/03/89/17/595038917.db2.gz KLXSYUKESLUZKQ-INIZCTEOSA-N 1 0 348.491 1.639 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842210438 595040542 /nfs/dbraw/zinc/04/05/42/595040542.db2.gz AGXPBWOQJSTOQE-ZBFHGGJFSA-N 1 0 344.459 1.099 20 10 EDCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000842213168 595041130 /nfs/dbraw/zinc/04/11/30/595041130.db2.gz KSSPTYVRAYYZCC-CABCVRRESA-N 1 0 344.459 1.112 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000842230003 595045549 /nfs/dbraw/zinc/04/55/49/595045549.db2.gz NTVWCLLHOIFJFM-UHFFFAOYSA-N 1 0 346.475 1.487 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000842244940 595053289 /nfs/dbraw/zinc/05/32/89/595053289.db2.gz NFGRDYOFHJUCCI-MRXNPFEDSA-N 1 0 348.491 1.591 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000843266281 595058198 /nfs/dbraw/zinc/05/81/98/595058198.db2.gz XTOYWSCOVIOWQQ-GJZGRUSLSA-N 1 0 348.491 1.733 20 10 EDCDRO COC(=O)c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000843299135 595066736 /nfs/dbraw/zinc/06/67/36/595066736.db2.gz SMLSBHCKQJPRIN-HNNXBMFYSA-N 1 0 342.399 1.364 20 10 EDCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000843431943 595109545 /nfs/dbraw/zinc/10/95/45/595109545.db2.gz FIPSPPPLKMVEFW-CQSZACIVSA-N 1 0 332.322 1.901 20 10 EDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000843434627 595110292 /nfs/dbraw/zinc/11/02/92/595110292.db2.gz LOSRYYANZXVNJK-ZYHUDNBSSA-N 1 0 344.205 1.511 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000846142452 595155528 /nfs/dbraw/zinc/15/55/28/595155528.db2.gz TZZGVEIRKUDEMW-VXGBXAGGSA-N 1 0 328.434 1.475 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1O ZINC000846147990 595156890 /nfs/dbraw/zinc/15/68/90/595156890.db2.gz WJEYQBSSYPSHFJ-JKSUJKDBSA-N 1 0 349.475 1.458 20 10 EDCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000835026406 595247549 /nfs/dbraw/zinc/24/75/49/595247549.db2.gz TUBCSVWIBGUFHW-HMECNJMJSA-N 1 0 333.476 1.391 20 10 EDCDRO COC(=O)c1cn(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)nn1 ZINC000835048893 595253281 /nfs/dbraw/zinc/25/32/81/595253281.db2.gz CODFJMMNXYWKLH-PLNGDYQASA-N 1 0 329.404 1.434 20 10 EDCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843058039 595276320 /nfs/dbraw/zinc/27/63/20/595276320.db2.gz NYKAMJQJTNTNQK-CZUORRHYSA-N 1 0 335.423 1.612 20 10 EDCDRO Cc1[nH]nc2ncc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc12 ZINC000844162596 595287908 /nfs/dbraw/zinc/28/79/08/595287908.db2.gz JHKIEJORSOLASP-MRXNPFEDSA-N 1 0 338.415 1.762 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000847304066 595391352 /nfs/dbraw/zinc/39/13/52/595391352.db2.gz ZAKSQBHOMYCBQU-DLBZAZTESA-N 1 0 344.459 1.029 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847318397 595394881 /nfs/dbraw/zinc/39/48/81/595394881.db2.gz IKXIGTPUTQAFOH-DLBZAZTESA-N 1 0 332.448 1.021 20 10 EDCDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000847506365 595437150 /nfs/dbraw/zinc/43/71/50/595437150.db2.gz AMVNCXGEWYUVBG-INIZCTEOSA-N 1 0 345.487 1.853 20 10 EDCDRO COc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c(O)c1 ZINC000849095631 595481018 /nfs/dbraw/zinc/48/10/18/595481018.db2.gz GLFBVXIDVNQBSY-UHFFFAOYSA-N 1 0 342.403 1.037 20 10 EDCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000852790057 595544165 /nfs/dbraw/zinc/54/41/65/595544165.db2.gz NSBWTYOBJOBBAL-INIZCTEOSA-N 1 0 337.489 1.608 20 10 EDCDRO [NH3+]CC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000852869074 595588384 /nfs/dbraw/zinc/58/83/84/595588384.db2.gz UAJRIUVSYLEZBG-UHFFFAOYSA-N 1 0 331.460 1.783 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000857843980 595630357 /nfs/dbraw/zinc/63/03/57/595630357.db2.gz AVQRCCYIWLOHRR-HOCLYGCPSA-N 1 0 327.432 1.328 20 10 EDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858170668 595719171 /nfs/dbraw/zinc/71/91/71/595719171.db2.gz IIQYAOVXZYQUDQ-NSHDSACASA-N 1 0 335.420 1.448 20 10 EDCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000858292620 595754865 /nfs/dbraw/zinc/75/48/65/595754865.db2.gz BYJWZHOFKOHCEQ-UHFFFAOYSA-N 1 0 328.796 1.513 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)C[NH2+]C[C@H]3CCCO3)C2)cc1 ZINC000851639521 595864343 /nfs/dbraw/zinc/86/43/43/595864343.db2.gz HBFUKKYMUIDXDS-RHSMWYFYSA-N 1 0 333.432 1.159 20 10 EDCDRO NCC(F)(F)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663004 595873633 /nfs/dbraw/zinc/87/36/33/595873633.db2.gz QJZJOIRESPIZIG-UHFFFAOYSA-N 1 0 342.390 1.041 20 10 EDCDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663141 595873674 /nfs/dbraw/zinc/87/36/74/595873674.db2.gz UKNPRCMKJOBZHA-INIZCTEOSA-N 1 0 348.491 1.964 20 10 EDCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000851662743 595873867 /nfs/dbraw/zinc/87/38/67/595873867.db2.gz HWGVTOUMNPJKCG-UHFFFAOYSA-N 1 0 332.448 1.328 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663973 595874272 /nfs/dbraw/zinc/87/42/72/595874272.db2.gz OGSGCUFNTAYBJV-RDTXWAMCSA-N 1 0 346.475 1.445 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000851664358 595874893 /nfs/dbraw/zinc/87/48/93/595874893.db2.gz XXNITFMFSDFAOM-KEYYUXOJSA-N 1 0 332.448 1.571 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000851668800 595877252 /nfs/dbraw/zinc/87/72/52/595877252.db2.gz UQQATFBRUMUGCZ-ZNMIVQPWSA-N 1 0 332.448 1.714 20 10 EDCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000851679435 595882236 /nfs/dbraw/zinc/88/22/36/595882236.db2.gz AVNGDYVYDRHSQV-AWEZNQCLSA-N 1 0 332.448 1.151 20 10 EDCDRO [NH3+]CC12CC(C1)CN2C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851682991 595883740 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EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866722982 596310429 /nfs/dbraw/zinc/31/04/29/596310429.db2.gz BFRJRRFFYMPLQS-ROUUACIJSA-N 1 0 330.476 1.537 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000863339678 596556144 /nfs/dbraw/zinc/55/61/44/596556144.db2.gz FIJQHKFXCWNYEJ-ZDUSSCGKSA-N 1 0 338.473 1.642 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(OC)c1 ZINC000870165924 596783857 /nfs/dbraw/zinc/78/38/57/596783857.db2.gz CUVNXODTCOHBRK-GDBMZVCRSA-N 1 0 347.459 1.693 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000868367468 596806225 /nfs/dbraw/zinc/80/62/25/596806225.db2.gz NLXFFWKFPYRVBR-UKRRQHHQSA-N 1 0 333.432 1.184 20 10 EDCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)CC3(O)CCOCC3)ccc21 ZINC000872198929 596831480 /nfs/dbraw/zinc/83/14/80/596831480.db2.gz CXAFGSIMRJEFDU-KRWDZBQOSA-N 1 0 334.460 1.451 20 10 EDCDRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000872213505 596838490 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EDCDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(O)c1 ZINC000876593798 597254016 /nfs/dbraw/zinc/25/40/16/597254016.db2.gz XZEYPOLRPCTMOI-HNNXBMFYSA-N 1 0 326.462 1.994 20 10 EDCDRO COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000876713162 597300253 /nfs/dbraw/zinc/30/02/53/597300253.db2.gz MLOMBCQLJPHKEW-SFHVURJKSA-N 1 0 327.428 1.947 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876731061 597310588 /nfs/dbraw/zinc/31/05/88/597310588.db2.gz OLYWSLNRFDAOAW-GOEBONIOSA-N 1 0 337.464 1.804 20 10 EDCDRO CC1(C)[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@@H]1[NH3+] ZINC000876731756 597311230 /nfs/dbraw/zinc/31/12/30/597311230.db2.gz SWEJPKNYERPQCJ-YOEHRIQHSA-N 1 0 349.450 1.776 20 10 EDCDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876976451 597403439 /nfs/dbraw/zinc/40/34/39/597403439.db2.gz QADFMYLYYRXCGS-KQQSKNTNSA-N 1 0 343.471 1.820 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+]CCOC[C@H]3CCCO3)cc2)CC1 ZINC000877045494 597421029 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CN1C[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)CCC1=O ZINC000877649464 597544888 /nfs/dbraw/zinc/54/48/88/597544888.db2.gz XSTYBCSDGUDDEM-QGZVFWFLSA-N 1 0 331.460 1.700 20 10 EDCDRO CCON(CC)C(=O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877651211 597544977 /nfs/dbraw/zinc/54/49/77/597544977.db2.gz SLDYMKPWNAKTJI-UHFFFAOYSA-N 1 0 335.448 1.537 20 10 EDCDRO CN(C)c1cc(F)c(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1F ZINC000877667435 597546306 /nfs/dbraw/zinc/54/63/06/597546306.db2.gz GTWFCFPRQWNMLG-IAGOWNOFSA-N 1 0 337.370 1.515 20 10 EDCDRO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccccc1O ZINC000879651442 597674496 /nfs/dbraw/zinc/67/44/96/597674496.db2.gz VZKXAKUPGMBTDM-ZDUSSCGKSA-N 1 0 334.416 1.845 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000883308453 597710844 /nfs/dbraw/zinc/71/08/44/597710844.db2.gz POISNBFDWOLANY-YPMHNXCESA-N 1 0 341.429 1.797 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3COC(=O)C3)cc2)CC1 ZINC000881850655 597753657 /nfs/dbraw/zinc/75/36/57/597753657.db2.gz BAPIZZMPRYUDAJ-HNNXBMFYSA-N 1 0 331.416 1.008 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)cc1 ZINC000879189601 597844711 /nfs/dbraw/zinc/84/47/11/597844711.db2.gz MZHQHTDZDXWULJ-SFHVURJKSA-N 1 0 341.459 1.881 20 10 EDCDRO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1 ZINC000879485786 597932452 /nfs/dbraw/zinc/93/24/52/597932452.db2.gz FXKKTYDDYOVHGF-GOSISDBHSA-N 1 0 331.416 1.955 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccncc3N)CC2)cc1 ZINC000882933442 598109381 /nfs/dbraw/zinc/10/93/81/598109381.db2.gz FTRVQOXBWDPVIM-UHFFFAOYSA-N 1 0 341.459 1.584 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CC3(C(N)=O)CCOCC3)CC2)cc1 ZINC000153154836 695539572 /nfs/dbraw/zinc/53/95/72/695539572.db2.gz HTVWIEFTHRVQET-UHFFFAOYSA-N 1 0 347.459 1.536 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC[NH+](C)C ZINC000915882607 696394668 /nfs/dbraw/zinc/39/46/68/696394668.db2.gz VRYARJFQTBQRFU-UHFFFAOYSA-N 1 0 334.464 1.616 20 10 EDCDRO CCO[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C[NH+](C)C ZINC000919918618 697364133 /nfs/dbraw/zinc/36/41/33/697364133.db2.gz PCVIFOIOVGXRHD-GOSISDBHSA-N 1 0 346.475 1.829 20 10 EDCDRO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000237649389 698269228 /nfs/dbraw/zinc/26/92/28/698269228.db2.gz IAJXCQVXCKCWML-GOEBONIOSA-N 1 0 349.500 1.796 20 10 EDCDRO COc1cc(C[NH2+]C[C@H](O)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922826233 704389502 /nfs/dbraw/zinc/38/95/02/704389502.db2.gz WSZOCVQZXWNGSO-LBPRGKRZSA-N 1 0 345.461 1.193 20 10 EDCDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCC(=O)N1C ZINC000922403723 711483643 /nfs/dbraw/zinc/48/36/43/711483643.db2.gz BKKSJQBTKKHDPJ-KXBFYZLASA-N 1 0 340.427 1.807 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000285377520 282290304 /nfs/dbraw/zinc/29/03/04/282290304.db2.gz COEDNBPBKTUROD-DOTOQJQBSA-N 1 0 339.505 1.950 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359959167 201119184 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O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cc(F)ccc3O)CC2)C1 ZINC000372811197 250225959 /nfs/dbraw/zinc/22/59/59/250225959.db2.gz BUSZPRYPFUONNS-OAHLLOKOSA-N 1 0 342.436 1.272 20 10 EDCDRO CN(C)c1ccc(C2=CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)cc1 ZINC000374326998 250259377 /nfs/dbraw/zinc/25/93/77/250259377.db2.gz URTFHFPRXFFVOZ-UHFFFAOYSA-N 1 0 342.443 1.782 20 10 EDCDRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378351628 447420940 /nfs/dbraw/zinc/42/09/40/447420940.db2.gz WYXVGLZZGFVXQD-VQTJNVASSA-N 1 0 345.487 1.554 20 10 EDCDRO COc1ccc(N2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)cc1F ZINC000091590865 441717172 /nfs/dbraw/zinc/71/71/72/441717172.db2.gz FHQLOLZJBPXYJN-HNNXBMFYSA-N 1 0 337.439 1.677 20 10 EDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1 ZINC000092068572 441769947 /nfs/dbraw/zinc/76/99/47/441769947.db2.gz VFDNRIYGQHLMTO-MRXNPFEDSA-N 1 0 325.478 1.656 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118842677 441906804 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CN(C)c1ccc(/C=C/CN2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)cc1 ZINC000904483687 592270374 /nfs/dbraw/zinc/27/03/74/592270374.db2.gz BKCVBRDPOOLDSR-UBZMYNMCSA-N 1 0 325.460 1.926 20 10 EDCDRO CCCN(C)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908459802 592501006 /nfs/dbraw/zinc/50/10/06/592501006.db2.gz LDZBFHOOCUUTKF-MRXNPFEDSA-N 1 0 342.509 1.532 20 10 EDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000907271451 592567196 /nfs/dbraw/zinc/56/71/96/592567196.db2.gz ARZJBNWWGLMZCE-GFCCVEGCSA-N 1 0 332.404 1.217 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3cnccn3)CC1)[C@@H](O)CO2 ZINC000782893214 593129549 /nfs/dbraw/zinc/12/95/49/593129549.db2.gz DNEZVPGDYDEFLU-INIZCTEOSA-N 1 0 343.383 1.651 20 10 EDCDRO CC(C)[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccc(N(C)C)cc1 ZINC000838793180 593212648 /nfs/dbraw/zinc/21/26/48/593212648.db2.gz IJOQFQAVGXFMHD-CQSZACIVSA-N 1 0 332.448 1.903 20 10 EDCDRO CS(=O)(=O)NCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000809694050 593355180 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CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(O)cccc2OC)CC1 ZINC000758054652 593392162 /nfs/dbraw/zinc/39/21/62/593392162.db2.gz HNUCDBRRROCXIF-UHFFFAOYSA-N 1 0 342.461 1.552 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ncn(C)n3)cc2F)CC1 ZINC000810362240 593395877 /nfs/dbraw/zinc/39/58/77/593395877.db2.gz SDYOGXDKXXVJLG-UHFFFAOYSA-N 1 0 346.410 1.026 20 10 EDCDRO CCOCc1cc(C[NH2+][C@H]2CCc3nnnn3CC2)ccc1OC ZINC000817418659 593603810 /nfs/dbraw/zinc/60/38/10/593603810.db2.gz AXSWDMKRCXWPIK-HNNXBMFYSA-N 1 0 331.420 1.713 20 10 EDCDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817919638 593648724 /nfs/dbraw/zinc/64/87/24/593648724.db2.gz WLWABCVQWRPTIA-MRXNPFEDSA-N 1 0 346.475 1.169 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000817921926 593648867 /nfs/dbraw/zinc/64/88/67/593648867.db2.gz KXJKRFMSQIJOOD-HNNXBMFYSA-N 1 0 346.475 1.312 20 10 EDCDRO COc1ccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c(O)c1 ZINC000818000216 593655431 /nfs/dbraw/zinc/65/54/31/593655431.db2.gz KUWWPJBLXRLDRC-LJQANCHMSA-N 1 0 326.396 1.948 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000818656495 593710655 /nfs/dbraw/zinc/71/06/55/593710655.db2.gz VXERPNDSUHKXRZ-JKSUJKDBSA-N 1 0 346.475 1.963 20 10 EDCDRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996720 593732943 /nfs/dbraw/zinc/73/29/43/593732943.db2.gz JWKDJKCPSKMOON-HNNXBMFYSA-N 1 0 336.432 1.987 20 10 EDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](C)S(C)(=O)=O)C2)cc1 ZINC000819379285 593752549 /nfs/dbraw/zinc/75/25/49/593752549.db2.gz FGHOKZXNHHTXSG-KBPBESRZSA-N 1 0 326.462 1.544 20 10 EDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)O1 ZINC000823850459 593872881 /nfs/dbraw/zinc/87/28/81/593872881.db2.gz DMQIKUHMPVVBMR-CKEIUWERSA-N 1 0 338.473 1.577 20 10 EDCDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)ccc(O)c1O ZINC000825849936 594261618 /nfs/dbraw/zinc/26/16/18/594261618.db2.gz KIPDHEIWGSOQBK-LBPRGKRZSA-N 1 0 338.379 1.610 20 10 EDCDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826096794 594329829 /nfs/dbraw/zinc/32/98/29/594329829.db2.gz DELGJTKEKROLLW-CQSZACIVSA-N 1 0 330.222 1.986 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000828666525 594475436 /nfs/dbraw/zinc/47/54/36/594475436.db2.gz FSWJDKCAHVPOLA-GHMZBOCLSA-N 1 0 330.388 1.692 20 10 EDCDRO COc1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000826535459 594521118 /nfs/dbraw/zinc/52/11/18/594521118.db2.gz XJMLJJDBTDVSJF-LSDHHAIUSA-N 1 0 334.460 1.949 20 10 EDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000829500126 594626657 /nfs/dbraw/zinc/62/66/57/594626657.db2.gz HZQVSSNETCITMO-QAPCUYQASA-N 1 0 348.491 1.307 20 10 EDCDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]2N1 ZINC000827133365 594645902 /nfs/dbraw/zinc/64/59/02/594645902.db2.gz UDKGICSRRWDQLW-DOTOQJQBSA-N 1 0 347.434 1.763 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000827469226 594674937 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10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3nnn(C)c3c2)cc1 ZINC000832284565 594740265 /nfs/dbraw/zinc/74/02/65/594740265.db2.gz KSMPWUVKGRCATH-HNNXBMFYSA-N 1 0 338.415 1.464 20 10 EDCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)NCCO)CC2)c(Cl)c1 ZINC000840910552 594826759 /nfs/dbraw/zinc/82/67/59/594826759.db2.gz PIIZQQCXPQLPIS-UHFFFAOYSA-N 1 0 326.824 1.675 20 10 EDCDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841007881 594838225 /nfs/dbraw/zinc/83/82/25/594838225.db2.gz JCRFYHHNCSHAMM-AWEZNQCLSA-N 1 0 332.448 1.836 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000841052335 594844840 /nfs/dbraw/zinc/84/48/40/594844840.db2.gz UEQGZWIDTKQCNJ-AWEZNQCLSA-N 1 0 330.432 1.542 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841648340 594931085 /nfs/dbraw/zinc/93/10/85/594931085.db2.gz DKERMGNIPUWLCL-KRWDZBQOSA-N 1 0 334.464 1.467 20 10 EDCDRO C[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843600 594962911 /nfs/dbraw/zinc/96/29/11/594962911.db2.gz KKLMPGDFWDTYNX-RYUDHWBXSA-N 1 0 342.390 1.903 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000842010433 595001945 /nfs/dbraw/zinc/00/19/45/595001945.db2.gz HHDDPNPVGALLQA-QGZVFWFLSA-N 1 0 334.464 1.663 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000842153224 595024182 /nfs/dbraw/zinc/02/41/82/595024182.db2.gz MODBLRPLXUVEKK-IBGZPJMESA-N 1 0 346.475 1.183 20 10 EDCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842216058 595042098 /nfs/dbraw/zinc/04/20/98/595042098.db2.gz ZKQZEQPWLCGIGE-INIZCTEOSA-N 1 0 346.475 1.537 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C2CC2)cc1 ZINC000842255820 595056515 /nfs/dbraw/zinc/05/65/15/595056515.db2.gz FOBIMRMJJWWADK-KRWDZBQOSA-N 1 0 344.459 1.097 20 10 EDCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000842267927 595061118 /nfs/dbraw/zinc/06/11/18/595061118.db2.gz ZTUPCLJKDISJQC-INIZCTEOSA-N 1 0 348.491 1.735 20 10 EDCDRO COc1c(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)ccc1[N+](=O)[O-] ZINC000843414763 595105800 /nfs/dbraw/zinc/10/58/00/595105800.db2.gz CEIBSSVIGCBEAK-NSHDSACASA-N 1 0 337.376 1.798 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1O ZINC000846158210 595161063 /nfs/dbraw/zinc/16/10/63/595161063.db2.gz UXBLYGXYEKADRE-NWDGAFQWSA-N 1 0 328.434 1.475 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000846173650 595164768 /nfs/dbraw/zinc/16/47/68/595164768.db2.gz UNSHBSQDLOURHY-CHWSQXEVSA-N 1 0 342.461 1.866 20 10 EDCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C(=O)N1c1cnn(C)c1 ZINC000834724904 595198962 /nfs/dbraw/zinc/19/89/62/595198962.db2.gz DYYDOYSLPBCKOA-KCPJHIHWSA-N 1 0 326.400 1.897 20 10 EDCDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834909495 595237842 /nfs/dbraw/zinc/23/78/42/595237842.db2.gz SAWDCSXZPSOBSU-ACJLOTCBSA-N 1 0 335.423 1.982 20 10 EDCDRO CC(C)NS(=O)(=O)NCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835048943 595253258 /nfs/dbraw/zinc/25/32/58/595253258.db2.gz NNVUZPGOAZFAPL-AATRIKPKSA-N 1 0 340.493 1.188 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2F)C[C@H](C)O1 ZINC000844172289 595290774 /nfs/dbraw/zinc/29/07/74/595290774.db2.gz DNMYUVJSGJWWPV-YBSJNODJSA-N 1 0 347.434 1.806 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848410650 595375224 /nfs/dbraw/zinc/37/52/24/595375224.db2.gz IHKDBOQGHZDTQW-BEFAXECRSA-N 1 0 347.434 1.668 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNc3cc(=O)n(C)cn3)cc2F)CC1 ZINC000848663509 595424995 /nfs/dbraw/zinc/42/49/95/595424995.db2.gz FQEKJIFJCZFDLW-UHFFFAOYSA-N 1 0 345.422 1.673 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000848910939 595466325 /nfs/dbraw/zinc/46/63/25/595466325.db2.gz OOBMEKPXAOAKJF-HNNXBMFYSA-N 1 0 326.462 1.858 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852789401 595543252 /nfs/dbraw/zinc/54/32/52/595543252.db2.gz DLVSLBOVUDDICB-MSOLQXFVSA-N 1 0 331.460 1.999 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000850867973 595659794 /nfs/dbraw/zinc/65/97/94/595659794.db2.gz UNJCBBYHOUSWSC-UHFFFAOYSA-N 1 0 330.432 1.446 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000858192620 595725489 /nfs/dbraw/zinc/72/54/89/595725489.db2.gz LYZOOSSLXQLTEP-CQSZACIVSA-N 1 0 348.447 1.087 20 10 EDCDRO CCS(=O)(=O)NCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850082467 595734353 /nfs/dbraw/zinc/73/43/53/595734353.db2.gz SONMJZDDHMZJHD-UHFFFAOYSA-N 1 0 344.477 1.727 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1F ZINC000858225496 595735691 /nfs/dbraw/zinc/73/56/91/595735691.db2.gz GUCGLJZMWLKDTD-HNNXBMFYSA-N 1 0 340.418 1.460 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)[C@@H]3C)CC2)cc1 ZINC000858281799 595752584 /nfs/dbraw/zinc/75/25/84/595752584.db2.gz YXWOXZKNJNVHRL-CXAGYDPISA-N 1 0 338.473 1.829 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC000851639895 595864920 /nfs/dbraw/zinc/86/49/20/595864920.db2.gz MTFUHHNKAOZTAT-LPHOPBHVSA-N 1 0 339.439 1.960 20 10 EDCDRO C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000854003268 595948209 /nfs/dbraw/zinc/94/82/09/595948209.db2.gz GXYAMYKHAXCQNJ-MRXNPFEDSA-N 1 0 349.523 1.996 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000861701704 596072674 /nfs/dbraw/zinc/07/26/74/596072674.db2.gz VWQKRJPBGRSZNG-WMLDXEAASA-N 1 0 332.448 1.667 20 10 EDCDRO Cc1cc(CC(=O)N[C@H](CO)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC000854466954 596088522 /nfs/dbraw/zinc/08/85/22/596088522.db2.gz OLZPOMAKCHDIJJ-KRWDZBQOSA-N 1 0 329.444 1.675 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857102615 596158278 /nfs/dbraw/zinc/15/82/78/596158278.db2.gz FQXCXCQOJVIGNN-KXBFYZLASA-N 1 0 344.459 1.017 20 10 EDCDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862249257 596287282 /nfs/dbraw/zinc/28/72/82/596287282.db2.gz JGMKPQPRGJHXCZ-AWEZNQCLSA-N 1 0 327.419 1.919 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCC2(F)F)cc1 ZINC000866756962 596324654 /nfs/dbraw/zinc/32/46/54/596324654.db2.gz FAZVLEQJDTWKCE-GXTWGEPZSA-N 1 0 347.431 1.717 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000862760121 596406319 /nfs/dbraw/zinc/40/63/19/596406319.db2.gz MTYNTNDPSKBZGQ-FQEVSTJZSA-N 1 0 340.423 1.954 20 10 EDCDRO O=c1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c[nH]1 ZINC000865462275 596582800 /nfs/dbraw/zinc/58/28/00/596582800.db2.gz IQPDVGOKQGGOOV-UHFFFAOYSA-N 1 0 347.440 1.312 20 10 EDCDRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000863748764 596672041 /nfs/dbraw/zinc/67/20/41/596672041.db2.gz FVFPKTJRUPFQCS-UHFFFAOYSA-N 1 0 345.399 1.321 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)c(OC)c1 ZINC000870164470 596783408 /nfs/dbraw/zinc/78/34/08/596783408.db2.gz YQYPFNOMTQBLIM-QGZVFWFLSA-N 1 0 347.459 1.837 20 10 EDCDRO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCC1(C)C ZINC000866112544 596792434 /nfs/dbraw/zinc/79/24/34/596792434.db2.gz FONOLTGFDQPBBM-UHFFFAOYSA-N 1 0 334.376 1.846 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000868357414 596799548 /nfs/dbraw/zinc/79/95/48/596799548.db2.gz WYHRHODJBQAHIY-MRXNPFEDSA-N 1 0 346.475 1.441 20 10 EDCDRO C[NH+](C)CC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000874092888 596924798 /nfs/dbraw/zinc/92/47/98/596924798.db2.gz FPHJANPUFLUNEQ-UHFFFAOYSA-N 1 0 335.423 1.620 20 10 EDCDRO COc1ccc(C[NH2+]CC[C@@]2(O)CCOC2)cc1Cn1cccn1 ZINC000873132770 597207416 /nfs/dbraw/zinc/20/74/16/597207416.db2.gz FVQDOTQKNYTCOP-GOSISDBHSA-N 1 0 331.416 1.571 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1Cn1cccn1 ZINC000873142054 597209397 /nfs/dbraw/zinc/20/93/97/597209397.db2.gz PGGZGRBQXUBSTP-WMZOPIPTSA-N 1 0 331.416 1.570 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncn(C(C)(C)C)n2)cc1 ZINC000876505890 597224394 /nfs/dbraw/zinc/22/43/94/597224394.db2.gz CBQVMJZMJVDXHF-CQSZACIVSA-N 1 0 330.436 1.529 20 10 EDCDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876643656 597272558 /nfs/dbraw/zinc/27/25/58/597272558.db2.gz JHYXEIVYGBQWRZ-QGZVFWFLSA-N 1 0 331.460 1.878 20 10 EDCDRO Cn1ncc(C[NH3+])c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000876731189 597310795 /nfs/dbraw/zinc/31/07/95/597310795.db2.gz POHVCOLESZQGAX-UHFFFAOYSA-N 1 0 345.472 1.362 20 10 EDCDRO COC1(CO)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877481641 597523243 /nfs/dbraw/zinc/52/32/43/597523243.db2.gz OATFQYMJEJURMB-UHFFFAOYSA-N 1 0 334.460 1.621 20 10 EDCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877488871 597523772 /nfs/dbraw/zinc/52/37/72/597523772.db2.gz PAHKCRJNHXIRCA-UHFFFAOYSA-N 1 0 338.473 1.315 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000877727166 597551661 /nfs/dbraw/zinc/55/16/61/597551661.db2.gz QVAXRDXLEWRFMC-NVXWUHKLSA-N 1 0 334.416 1.191 20 10 EDCDRO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)O1 ZINC000881853882 597755997 /nfs/dbraw/zinc/75/59/97/597755997.db2.gz NIRKQSDUSKLHFO-IIDMSEBBSA-N 1 0 331.460 1.868 20 10 EDCDRO CCc1nocc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854750 597756359 /nfs/dbraw/zinc/75/63/59/597756359.db2.gz JKIKFQPKPYXUMK-UHFFFAOYSA-N 1 0 328.416 1.919 20 10 EDCDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)O1 ZINC000881854394 597756612 /nfs/dbraw/zinc/75/66/12/597756612.db2.gz DLJUSGCIHVXWKA-RKVPGOIHSA-N 1 0 331.460 1.868 20 10 EDCDRO COCCCOCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854296 597756711 /nfs/dbraw/zinc/75/67/11/597756711.db2.gz AEIBFMHNJCSUDY-UHFFFAOYSA-N 1 0 349.475 1.498 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880135503 597852037 /nfs/dbraw/zinc/85/20/37/597852037.db2.gz WJMKIZKRAIYAEI-QZTJIDSGSA-N 1 0 330.476 1.537 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCSC3)cc2)CC1 ZINC000883660676 597852198 /nfs/dbraw/zinc/85/21/98/597852198.db2.gz RAUKDVDDOLBHJO-MRXNPFEDSA-N 1 0 348.516 1.991 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CC(C)(C)O)CC2)c(OC)c1 ZINC000879461214 597923420 /nfs/dbraw/zinc/92/34/20/597923420.db2.gz GTVLVNWZKQTUMI-CQSZACIVSA-N 1 0 338.448 1.348 20 10 EDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000883898547 597936685 /nfs/dbraw/zinc/93/66/85/597936685.db2.gz BKDWDXMYAFENID-INIZCTEOSA-N 1 0 334.464 1.867 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccco3)cc2)CC1 ZINC000882662112 598015655 /nfs/dbraw/zinc/01/56/55/598015655.db2.gz AJBRRKASGRHPIB-UHFFFAOYSA-N 1 0 335.429 1.510 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccccn3)cc2)CC1 ZINC000882662605 598016105 /nfs/dbraw/zinc/01/61/05/598016105.db2.gz JQQOWFQPFXDUQQ-UHFFFAOYSA-N 1 0 346.456 1.312 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)CN2CCOCC2)C2CC2)cc1 ZINC000917014204 696877423 /nfs/dbraw/zinc/87/74/23/696877423.db2.gz OHTOBZCCRNYHPL-LJQANCHMSA-N 1 0 333.476 1.410 20 10 EDCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnccn1 ZINC000918911549 697223143 /nfs/dbraw/zinc/22/31/43/697223143.db2.gz AJWCASHAEMCSNQ-OAHLLOKOSA-N 1 0 339.443 1.648 20 10 EDCDRO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000238089971 698711408 /nfs/dbraw/zinc/71/14/08/698711408.db2.gz AFHBKSHTUXBZGW-HNNXBMFYSA-N 1 0 335.473 1.235 20 10 EDCDRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000185411664 701838090 /nfs/dbraw/zinc/83/80/90/701838090.db2.gz RCKRAGOELZHVLF-GFCCVEGCSA-N 1 0 344.452 1.691 20 10 EDCDRO C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945225825 705326176 /nfs/dbraw/zinc/32/61/76/705326176.db2.gz VHVMRJNXFOGGCU-SMDDNHRTSA-N 1 0 333.392 1.282 20 10 EDCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CC(N)=O)cc1C ZINC001004789220 707278265 /nfs/dbraw/zinc/27/82/65/707278265.db2.gz ZFWHOCLTFNQMIN-HOCLYGCPSA-N 1 0 347.459 1.738 20 10 EDCDRO COC[C@H](C)[NH+]1CCC(NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001003245147 710168838 /nfs/dbraw/zinc/16/88/38/710168838.db2.gz QURFNUOTAFOSNU-LBPRGKRZSA-N 1 0 337.420 1.328 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+]C3CCN(C)CC3)CC2)cc1 ZINC000102560293 237043077 /nfs/dbraw/zinc/04/30/77/237043077.db2.gz BJMJCZWUKMMGGG-UHFFFAOYSA-N 1 0 346.519 1.891 20 10 EDCDRO OCCn1nccc1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000092811362 237019926 /nfs/dbraw/zinc/01/99/26/237019926.db2.gz GLTJXXKSBSGZPY-UHFFFAOYSA-N 1 0 345.399 1.689 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[NH+](C(C)C)CC1)cc2=O ZINC000076910197 203365799 /nfs/dbraw/zinc/36/57/99/203365799.db2.gz LKBPVAHDKGDVKZ-UHFFFAOYSA-N 1 0 347.419 1.138 20 10 EDCDRO CN1CCc2cc(CNC(=O)N3CC[NH+](CC4CC4)CC3)ccc21 ZINC000372462245 250220719 /nfs/dbraw/zinc/22/07/19/250220719.db2.gz BZSLPAUNGOXLTG-UHFFFAOYSA-N 1 0 328.460 1.916 20 10 EDCDRO COc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000373399082 250238331 /nfs/dbraw/zinc/23/83/31/250238331.db2.gz JOWUXEIFADMZNG-UKRRQHHQSA-N 1 0 335.404 1.063 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1 ZINC000378154411 250297652 /nfs/dbraw/zinc/29/76/52/250297652.db2.gz VTIMOPGLJZCUBH-IBGZPJMESA-N 1 0 333.476 1.724 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3CO)CC2)cc1 ZINC000072939238 441277285 /nfs/dbraw/zinc/27/72/85/441277285.db2.gz CFAVTLQPKBLUQS-KRWDZBQOSA-N 1 0 347.459 1.191 20 10 EDCDRO COc1cc(O)c(CN2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000160347604 441873697 /nfs/dbraw/zinc/87/36/97/441873697.db2.gz KNALAQHZTDWEDK-UHFFFAOYSA-N 1 0 336.432 1.706 20 10 EDCDRO CN1CCc2cc(C[NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)ccc21 ZINC000124546702 441935538 /nfs/dbraw/zinc/93/55/38/441935538.db2.gz WJLMAJVZUQBKFN-UHFFFAOYSA-N 1 0 349.500 1.725 20 10 EDCDRO COc1cccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1O ZINC000120093814 442006978 /nfs/dbraw/zinc/00/69/78/442006978.db2.gz PEJKMWJGQMHMAU-UHFFFAOYSA-N 1 0 348.443 1.908 20 10 EDCDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000193567353 442754226 /nfs/dbraw/zinc/75/42/26/442754226.db2.gz PZZPXJPLXZVXFN-RMYLNHOSSA-N 1 0 329.444 1.793 20 10 EDCDRO Cn1cc([C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2CO)cn1 ZINC000278659096 443393205 /nfs/dbraw/zinc/39/32/05/443393205.db2.gz KHYZXTXECGLUJO-KBPBESRZSA-N 1 0 331.372 1.062 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1OC ZINC000271871419 443516919 /nfs/dbraw/zinc/51/69/19/443516919.db2.gz XVZRFJYGFNZZLQ-CVEARBPZSA-N 1 0 347.411 1.984 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000279189815 443529964 /nfs/dbraw/zinc/52/99/64/443529964.db2.gz DVCPHFPSRVINLB-FUHWJXTLSA-N 1 0 333.476 1.852 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c1 ZINC000271178380 443495430 /nfs/dbraw/zinc/49/54/30/443495430.db2.gz GOCKCZSHSJJXAY-LBPRGKRZSA-N 1 0 344.415 1.993 20 10 EDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1O ZINC000273805586 443586307 /nfs/dbraw/zinc/58/63/07/443586307.db2.gz XXVRZGDDAJTVQQ-HNNXBMFYSA-N 1 0 339.779 1.180 20 10 EDCDRO Cc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(O)c1O ZINC000279245738 443542412 /nfs/dbraw/zinc/54/24/12/443542412.db2.gz UQEGTRTXAZPAMG-ZDUSSCGKSA-N 1 0 334.416 1.732 20 10 EDCDRO COCCOCCOCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000276368484 443690642 /nfs/dbraw/zinc/69/06/42/443690642.db2.gz NXMZCCWLWDYYPF-UHFFFAOYSA-N 1 0 343.420 1.521 20 10 EDCDRO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283744073 443704435 /nfs/dbraw/zinc/70/44/35/443704435.db2.gz NJXDMEYGBCJCFS-UHFFFAOYSA-N 1 0 346.475 1.361 20 10 EDCDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CC(=O)N1C1CC1 ZINC000284732078 443785331 /nfs/dbraw/zinc/78/53/31/443785331.db2.gz CODLLZKUFFLWQJ-RDTXWAMCSA-N 1 0 344.390 1.859 20 10 EDCDRO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000291705887 443765279 /nfs/dbraw/zinc/76/52/79/443765279.db2.gz ZJTBPMLUVLJSTP-UHFFFAOYSA-N 1 0 327.450 1.027 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000298626631 443821569 /nfs/dbraw/zinc/82/15/69/443821569.db2.gz JLTUBTQUMHDOTO-OAHLLOKOSA-N 1 0 333.432 1.293 20 10 EDCDRO Cc1cc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000292858128 443862443 /nfs/dbraw/zinc/86/24/43/443862443.db2.gz RGOKQSNADPUEDE-IBGZPJMESA-N 1 0 344.503 1.799 20 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444245785 /nfs/dbraw/zinc/24/57/85/444245785.db2.gz ZFOJFONMENQVHM-PXAZEXFGSA-N 1 0 339.457 1.471 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1O ZINC000362795721 445553942 /nfs/dbraw/zinc/55/39/42/445553942.db2.gz CRRYXXTUZVHWSG-SFHVURJKSA-N 1 0 347.415 1.696 20 10 EDCDRO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)c3cc(OC)ccc3O)C2)nn1 ZINC000364636411 445940023 /nfs/dbraw/zinc/94/00/23/445940023.db2.gz MVQOMEISAYSMNW-NWDGAFQWSA-N 1 0 346.387 1.787 20 10 EDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000364637928 445940501 /nfs/dbraw/zinc/94/05/01/445940501.db2.gz PLEKFJBTWWJABC-FZMZJTMJSA-N 1 0 340.445 1.618 20 10 EDCDRO COc1c(O)c(CN2CCO[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000365798095 446347959 /nfs/dbraw/zinc/34/79/59/446347959.db2.gz UHOKICNVKCJQKI-GFCCVEGCSA-N 1 0 325.365 1.071 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 ZINC000368081844 446628597 /nfs/dbraw/zinc/62/85/97/446628597.db2.gz PUHWPQVKGHBZIH-KYJSFNMBSA-N 1 0 334.416 1.707 20 10 EDCDRO CN(C)c1ccc(CN2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000375333075 446727450 /nfs/dbraw/zinc/72/74/50/446727450.db2.gz FHEOQSSPNPXAHP-UHFFFAOYSA-N 1 0 346.519 1.593 20 10 EDCDRO Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c(O)c1O ZINC000371663238 446945058 /nfs/dbraw/zinc/94/50/58/446945058.db2.gz CMFAFVKLVMCHSW-UKRRQHHQSA-N 1 0 334.416 1.637 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000375821782 447080940 /nfs/dbraw/zinc/08/09/40/447080940.db2.gz BXXGJHVYELMPDE-HNNXBMFYSA-N 1 0 333.432 1.112 20 10 EDCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298622597 525837886 /nfs/dbraw/zinc/83/78/86/525837886.db2.gz VBNQZLSVJQETJJ-CRAIPNDOSA-N 1 0 333.476 1.994 20 10 EDCDRO COc1ccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000725849283 578289218 /nfs/dbraw/zinc/28/92/18/578289218.db2.gz ZACKKOXILZKPTA-UHFFFAOYSA-N 1 0 326.352 1.787 20 10 EDCDRO CCOCC[N@H+](CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000730808664 578658929 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LBICICCRIMXYCV-MRXNPFEDSA-N 1 0 334.416 1.660 20 10 EDCDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779538063 580488370 /nfs/dbraw/zinc/48/83/70/580488370.db2.gz UFQMPWMOTOGYJT-VOCCNVLDSA-N 1 0 346.427 1.821 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(=O)NCCF ZINC000800291467 581049720 /nfs/dbraw/zinc/04/97/20/581049720.db2.gz AIENWYKJVUWRCA-LBPRGKRZSA-N 1 0 327.375 1.226 20 10 EDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(=O)NCCF ZINC000800291463 581049757 /nfs/dbraw/zinc/04/97/57/581049757.db2.gz AIENWYKJVUWRCA-GFCCVEGCSA-N 1 0 327.375 1.226 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NC/C=C/C[NH3+])CC2)c(OC)c1 ZINC000892123080 590812396 /nfs/dbraw/zinc/81/23/96/590812396.db2.gz XXMBLFUSILBZFI-ONEGZZNKSA-N 1 0 334.420 1.050 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]cc3CO)cc2)CC1 ZINC000893403333 590848658 /nfs/dbraw/zinc/84/86/58/590848658.db2.gz YQYNEPHEXIHJFT-UHFFFAOYSA-N 1 0 340.427 1.276 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn(C3CC3)nn2)[NH+](C)C)cc1 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UUWRFENWGQWJPV-LBPRGKRZSA-N 1 0 338.379 1.591 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nc[nH]n1 ZINC000899104711 591684524 /nfs/dbraw/zinc/68/45/24/591684524.db2.gz SKOILARNPBSUKA-WFASDCNBSA-N 1 0 345.451 1.534 20 10 EDCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nc[nH]n1 ZINC000899104710 591684570 /nfs/dbraw/zinc/68/45/70/591684570.db2.gz SKOILARNPBSUKA-SWLSCSKDSA-N 1 0 345.451 1.534 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCC2CC(O)C2)[NH+](C)C)cc1 ZINC000899100525 591689673 /nfs/dbraw/zinc/68/96/73/591689673.db2.gz ABKIMIHBSYFQBF-UYJHFMRCSA-N 1 0 348.491 1.816 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@]3(CO)C2)[NH+](C)C)cc1 ZINC000899101224 591690048 /nfs/dbraw/zinc/69/00/48/591690048.db2.gz GJIXDAMOWMRTTG-VDZJLULYSA-N 1 0 346.475 1.379 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CC2(O)CCC2)[NH+](C)C)cc1 ZINC000899100883 591690127 /nfs/dbraw/zinc/69/01/27/591690127.db2.gz CJJCDHBOAXLPMY-KRWDZBQOSA-N 1 0 348.491 1.912 20 10 EDCDRO C[C@@H]1C[C@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100558 591690165 /nfs/dbraw/zinc/69/01/65/591690165.db2.gz ANRJQURVFKEXDY-COXVUDFISA-N 1 0 334.464 1.520 20 10 EDCDRO C[C@]1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCNC1=O ZINC000897872086 591701022 /nfs/dbraw/zinc/70/10/22/591701022.db2.gz FDXZRIHIKCNFHT-KRWDZBQOSA-N 1 0 332.404 1.953 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@]2(C)CCNC2=O)c1O ZINC000897872353 591701750 /nfs/dbraw/zinc/70/17/50/591701750.db2.gz SKBVKFZHNUHGIQ-CYBMUJFWSA-N 1 0 329.194 1.532 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)cc1 ZINC000895444763 591759291 /nfs/dbraw/zinc/75/92/91/591759291.db2.gz PFCMMMYMSHWGJV-IBGZPJMESA-N 1 0 329.444 1.830 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900626754 592075729 /nfs/dbraw/zinc/07/57/29/592075729.db2.gz NNKJJTYQMHIHAH-QUCCMNQESA-N 1 0 345.487 1.994 20 10 EDCDRO C[C@@H]([NH2+]CCCc1nnnn1C)c1cc(Br)ccc1O ZINC000903348898 592157095 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332.448 1.173 20 10 EDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000808437662 593258421 /nfs/dbraw/zinc/25/84/21/593258421.db2.gz UBNUEQPRXKIZBX-INIZCTEOSA-N 1 0 337.489 1.481 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000803180971 593307846 /nfs/dbraw/zinc/30/78/46/593307846.db2.gz WXLAKDOFNNWKQO-UKRRQHHQSA-N 1 0 344.459 1.283 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000839502759 593311763 /nfs/dbraw/zinc/31/17/63/593311763.db2.gz KVGTVTXRGBKORQ-WMZOPIPTSA-N 1 0 331.460 1.870 20 10 EDCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839574525 593341517 /nfs/dbraw/zinc/34/15/17/593341517.db2.gz HTKIDMLKZMKESK-VKJFTORMSA-N 1 0 333.476 1.850 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@](C)(CO)C(C)C)cc2=O ZINC000810076035 593381095 /nfs/dbraw/zinc/38/10/95/593381095.db2.gz ZFZUILMZUVNDOK-INIZCTEOSA-N 1 0 336.392 1.108 20 10 EDCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC000812879155 593511870 /nfs/dbraw/zinc/51/18/70/593511870.db2.gz MNTHVJQOSPEVTO-QGZVFWFLSA-N 1 0 347.459 1.455 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000817289665 593589363 /nfs/dbraw/zinc/58/93/63/593589363.db2.gz BNFMWICUZLGWFX-GOSISDBHSA-N 1 0 332.492 1.737 20 10 EDCDRO COc1cc(Br)cc(C[N@H+](C[C@H](O)CO)C(C)C)c1O ZINC000817417786 593603485 /nfs/dbraw/zinc/60/34/85/593603485.db2.gz PMYUBXAVMIEYMG-LBPRGKRZSA-N 1 0 348.237 1.727 20 10 EDCDRO C[N@@H+]1CCC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000814908395 593606655 /nfs/dbraw/zinc/60/66/55/593606655.db2.gz ALUCUKSCIYPFNY-KRWDZBQOSA-N 1 0 346.387 1.848 20 10 EDCDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000815579809 593643202 /nfs/dbraw/zinc/64/32/02/593643202.db2.gz VNHQPXDJHSJBBD-AWEZNQCLSA-N 1 0 340.489 1.825 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817891390 593645640 /nfs/dbraw/zinc/64/56/40/593645640.db2.gz BMIFSXARUMLAAT-PBHICJAKSA-N 1 0 337.489 1.009 20 10 EDCDRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000817995076 593654881 /nfs/dbraw/zinc/65/48/81/593654881.db2.gz VHMQDDPZSRULFV-PBHICJAKSA-N 1 0 346.475 1.297 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000818654456 593710361 /nfs/dbraw/zinc/71/03/61/593710361.db2.gz BFOJQMGRHIWIBO-OAGGEKHMSA-N 1 0 346.475 1.900 20 10 EDCDRO COCCOC[C@@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000819003405 593733497 /nfs/dbraw/zinc/73/34/97/593733497.db2.gz VLFLDDQOMLAPAA-KRWDZBQOSA-N 1 0 338.448 1.278 20 10 EDCDRO O[C@@H](C[NH2+]CCCSc1nccs1)COC1CCOCC1 ZINC000819064444 593736912 /nfs/dbraw/zinc/73/69/12/593736912.db2.gz XZQZBVPLKYTWOJ-LBPRGKRZSA-N 1 0 332.491 1.771 20 10 EDCDRO CS(=O)(=O)CC[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819121557 593740145 /nfs/dbraw/zinc/74/01/45/593740145.db2.gz WWCSUTDYPNCFDI-LBPRGKRZSA-N 1 0 348.415 1.891 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000819163936 593742169 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C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000851655817 595870300 /nfs/dbraw/zinc/87/03/00/595870300.db2.gz YQTCKZOUEOIMHY-GFCCVEGCSA-N 1 0 338.427 1.194 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3(C)CC[NH2+]CC3)C2)cc1 ZINC000851662841 595873807 /nfs/dbraw/zinc/87/38/07/595873807.db2.gz LNRFBMVPPWGICA-OAHLLOKOSA-N 1 0 346.475 1.963 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000851664083 595874138 /nfs/dbraw/zinc/87/41/38/595874138.db2.gz QODDCRDMKFHQCJ-ZNMIVQPWSA-N 1 0 332.448 1.843 20 10 EDCDRO C[C@]1(C[NH3+])CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851679490 595882137 /nfs/dbraw/zinc/88/21/37/595882137.db2.gz BXWFHUWCAVYKEH-LJQANCHMSA-N 1 0 346.475 1.528 20 10 EDCDRO [NH3+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851681377 595882925 /nfs/dbraw/zinc/88/29/25/595882925.db2.gz NZONWWMYVBTVMZ-OAHLLOKOSA-N 1 0 332.448 1.280 20 10 EDCDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000851685589 595884329 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EDCDRO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@]1(C)CO ZINC000852700025 596229416 /nfs/dbraw/zinc/22/94/16/596229416.db2.gz AWEIYAKUAPJLHT-HNAYVOBHSA-N 1 0 333.476 1.661 20 10 EDCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H]3C[C@@H](C(N)=O)C3)cc2)CC1 ZINC000859961963 596234833 /nfs/dbraw/zinc/23/48/33/596234833.db2.gz AWLIUXAFKQOSCO-WOVMCDHWSA-N 1 0 331.460 1.998 20 10 EDCDRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(Cl)cc1O ZINC000866520502 596238681 /nfs/dbraw/zinc/23/86/81/596238681.db2.gz BUBMQEBAKKOIFR-ZUZCIYMTSA-N 1 0 326.780 1.917 20 10 EDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]23COC(=O)N2CCOC3)c2c1c(F)ccc2O ZINC000866520972 596239350 /nfs/dbraw/zinc/23/93/50/596239350.db2.gz JDZBXRQHAIEYRS-HSOHIQCKSA-N 1 0 336.363 1.890 20 10 EDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862400114 596321035 /nfs/dbraw/zinc/32/10/35/596321035.db2.gz MWGLVDPVDRUUCV-VHSXEESVSA-N 1 0 344.205 1.511 20 10 EDCDRO Oc1cccc(Br)c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000862402153 596321817 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CN(C)c1ccc(CNC(=O)C(C)(C)C[NH+]2CCOCC2)cc1F ZINC000874251609 596985915 /nfs/dbraw/zinc/98/59/15/596985915.db2.gz MHJBHYSBSICUEN-UHFFFAOYSA-N 1 0 337.439 1.866 20 10 EDCDRO COc1cc(C[NH+]2CCN(CCc3cnccn3)CC2)c(O)cc1C ZINC000872700491 597036475 /nfs/dbraw/zinc/03/64/75/597036475.db2.gz DOMSCDKVANHLQF-UHFFFAOYSA-N 1 0 342.443 1.860 20 10 EDCDRO CCn1cnnc1CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873053194 597173079 /nfs/dbraw/zinc/17/30/79/597173079.db2.gz GUYSTWXVXNFHNV-UHFFFAOYSA-N 1 0 340.431 1.884 20 10 EDCDRO COc1ccc(C[NH2+]CCNc2cnccn2)cc1Cn1cccn1 ZINC000873078793 597182836 /nfs/dbraw/zinc/18/28/36/597182836.db2.gz PHMWOIBBWYFYSP-UHFFFAOYSA-N 1 0 338.415 1.932 20 10 EDCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1=O ZINC000873133880 597207404 /nfs/dbraw/zinc/20/74/04/597207404.db2.gz VDJXNNWZHKDTJI-MRXNPFEDSA-N 1 0 342.443 1.898 20 10 EDCDRO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000876528235 597231670 /nfs/dbraw/zinc/23/16/70/597231670.db2.gz MGFDKIBEOPDYSP-SFHVURJKSA-N 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ZINC000877344052 597496620 /nfs/dbraw/zinc/49/66/20/597496620.db2.gz CYNPPXLDEPXZRU-MOPGFXCFSA-N 1 0 334.460 1.931 20 10 EDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877466483 597520560 /nfs/dbraw/zinc/52/05/60/597520560.db2.gz KYTSIVHRJSGSTN-LZQZEXGQSA-N 1 0 343.471 1.734 20 10 EDCDRO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1O ZINC000879651732 597674738 /nfs/dbraw/zinc/67/47/38/597674738.db2.gz ITVHLNWTNUPOLP-ZDUSSCGKSA-N 1 0 331.416 1.124 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)C[C@@](C)(O)C2CC2)cc1 ZINC000878805990 597717884 /nfs/dbraw/zinc/71/78/84/597717884.db2.gz VVHCKTPOCUSDMZ-PKOBYXMFSA-N 1 0 336.476 1.975 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)c(O)c1C ZINC000883334984 597718939 /nfs/dbraw/zinc/71/89/39/597718939.db2.gz KYJLWMQXJYOJNC-LBPRGKRZSA-N 1 0 327.388 1.601 20 10 EDCDRO C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1O ZINC000883371085 597725732 /nfs/dbraw/zinc/72/57/32/597725732.db2.gz 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ZINC000880430588 597931701 /nfs/dbraw/zinc/93/17/01/597931701.db2.gz NWUXTWXWWPCRBF-IRXDYDNUSA-N 1 0 335.448 1.105 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCSCC3)cc2)CC1 ZINC000882662435 598016080 /nfs/dbraw/zinc/01/60/80/598016080.db2.gz HBZRMPSPGWMJQJ-UHFFFAOYSA-N 1 0 334.489 1.697 20 10 EDCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000882916597 598101312 /nfs/dbraw/zinc/10/13/12/598101312.db2.gz SEOZDANGOYVVLN-GFCCVEGCSA-N 1 0 347.228 1.840 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3nonc3C)C[C@H]2C)cc1C ZINC000939861498 699984999 /nfs/dbraw/zinc/98/49/99/699984999.db2.gz PVOZILCWCHHTGH-DOMZBBRYSA-N 1 0 344.415 1.945 20 10 EDCDRO C[NH+]1CCN(c2cc(C(=O)NCc3ccc(O)c(O)c3)ccn2)CC1 ZINC000182543427 700873199 /nfs/dbraw/zinc/87/31/99/700873199.db2.gz KXVQXBGIUUYQHQ-UHFFFAOYSA-N 1 0 342.399 1.175 20 10 EDCDRO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(O)c1O ZINC000184195072 703071015 /nfs/dbraw/zinc/07/10/15/703071015.db2.gz GNLUEVVQLDBHSD-UHFFFAOYSA-N 1 0 335.448 1.552 20 10 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CCS(=O)(=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000163502510 442170669 /nfs/dbraw/zinc/17/06/69/442170669.db2.gz HSDHQGJZUUQGMJ-UHFFFAOYSA-N 1 0 326.462 1.688 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000179894365 442516551 /nfs/dbraw/zinc/51/65/51/442516551.db2.gz OFEFNJQBFULZIV-OAHLLOKOSA-N 1 0 348.443 1.862 20 10 EDCDRO COc1ccc(O)c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000180722502 442652349 /nfs/dbraw/zinc/65/23/49/442652349.db2.gz QNSMCXWLQCWBNI-UHFFFAOYSA-N 1 0 328.434 1.257 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(O)c1 ZINC000185050452 443125740 /nfs/dbraw/zinc/12/57/40/443125740.db2.gz SUKNWHJOSYLILI-ZDUSSCGKSA-N 1 0 341.411 1.767 20 10 EDCDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000263680867 443236345 /nfs/dbraw/zinc/23/63/45/443236345.db2.gz DWIAIZZDHRJYRX-HNNXBMFYSA-N 1 0 334.464 1.663 20 10 EDCDRO C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282434600 443338283 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CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740914773 579389180 /nfs/dbraw/zinc/38/91/80/579389180.db2.gz FXDBPKIWLUMQDJ-GOSISDBHSA-N 1 0 343.475 1.108 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729502569 578578081 /nfs/dbraw/zinc/57/80/81/578578081.db2.gz BAESEBFFQZJDQC-GUTXKFCHSA-N 1 0 349.431 1.624 20 10 EDCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)N1CCNC(=O)C1 ZINC000731845502 578681307 /nfs/dbraw/zinc/68/13/07/578681307.db2.gz BJCOHCNLKPFYTE-UHFFFAOYSA-N 1 0 331.416 1.095 20 10 EDCDRO COc1ccc(O)c(CNC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000734067154 578797488 /nfs/dbraw/zinc/79/74/88/578797488.db2.gz WGJZJCORNQMOBE-UHFFFAOYSA-N 1 0 337.420 1.312 20 10 EDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000736663790 579009853 /nfs/dbraw/zinc/00/98/53/579009853.db2.gz AHHMXVCWVCMMGZ-QWHCGFSZSA-N 1 0 337.420 1.482 20 10 EDCDRO Fc1cc(C[NH2+][C@@H]2CCn3ccnc3C2)ccc1N1CCOCC1 ZINC000778188483 580458248 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COCC(=O)NC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768440106 580212838 /nfs/dbraw/zinc/21/28/38/580212838.db2.gz SNDPKJIGKPIKEM-UHFFFAOYSA-N 1 0 338.404 1.136 20 10 EDCDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)C1 ZINC000768444618 580212944 /nfs/dbraw/zinc/21/29/44/580212944.db2.gz ASLZGRAVMDTMTE-QAPCUYQASA-N 1 0 347.459 1.030 20 10 EDCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCNC2=O)c1O ZINC000770379945 580259181 /nfs/dbraw/zinc/25/91/81/580259181.db2.gz KTXPZUBYNFBNJB-JTQLQIEISA-N 1 0 329.194 1.484 20 10 EDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCOC1 ZINC000770682026 580267571 /nfs/dbraw/zinc/26/75/71/580267571.db2.gz YIDBVUPQKPKTMY-IBGZPJMESA-N 1 0 348.443 1.725 20 10 EDCDRO CCN(C)c1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000773775740 580345843 /nfs/dbraw/zinc/34/58/43/580345843.db2.gz JWHPBAXTLPHEAU-UHFFFAOYSA-N 1 0 339.505 1.999 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000774483879 580363299 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CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000790618874 580774013 /nfs/dbraw/zinc/77/40/13/580774013.db2.gz IUHDJOTUCLIQKG-FUHWJXTLSA-N 1 0 336.476 1.771 20 10 EDCDRO CCOc1ccc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c(O)c1 ZINC000793344276 580842521 /nfs/dbraw/zinc/84/25/21/580842521.db2.gz LFZFAJVTXHHDLL-KBXCAEBGSA-N 1 0 335.400 1.802 20 10 EDCDRO COc1c[nH+]ccc1N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000793372214 580842970 /nfs/dbraw/zinc/84/29/70/580842970.db2.gz ZTISTEUPWKJUOS-UHFFFAOYSA-N 1 0 343.383 1.847 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1F ZINC000796514004 580955466 /nfs/dbraw/zinc/95/54/66/580955466.db2.gz SPMOEBOJLJCLID-CQSZACIVSA-N 1 0 343.468 1.795 20 10 EDCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000801735154 581083597 /nfs/dbraw/zinc/08/35/97/581083597.db2.gz MUWIEFWLFYJTHA-INIZCTEOSA-N 1 0 335.423 1.809 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2ccnn2C)[NH+](C)C)cc1 ZINC000891970238 590715465 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Cc1nn(C)cc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248901 591018760 /nfs/dbraw/zinc/01/87/60/591018760.db2.gz OKEMHVIPHPEDFI-GOSISDBHSA-N 1 0 343.475 1.756 20 10 EDCDRO COc1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891250053 591018871 /nfs/dbraw/zinc/01/88/71/591018871.db2.gz YMQXTDAMEDNVPR-MRXNPFEDSA-N 1 0 343.431 1.584 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2COC(=O)C2)[NH+](C)C)cc1 ZINC000891252672 591020610 /nfs/dbraw/zinc/02/06/10/591020610.db2.gz MBQKVGFFNKQBPM-BBRMVZONSA-N 1 0 333.432 1.425 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000840975921 591063309 /nfs/dbraw/zinc/06/33/09/591063309.db2.gz SQPOZQZOAJGESA-DOMZBBRYSA-N 1 0 332.366 1.947 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000891487748 591090633 /nfs/dbraw/zinc/09/06/33/591090633.db2.gz FSTPJVNJELEMHN-HDJSIYSDSA-N 1 0 332.448 1.701 20 10 EDCDRO COc1ccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000894184988 591220008 /nfs/dbraw/zinc/22/00/08/591220008.db2.gz IJAIKGDMSGXPPB-GFCCVEGCSA-N 1 0 342.461 1.551 20 10 EDCDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CCC[NH2+]C1 ZINC000841941028 591347017 /nfs/dbraw/zinc/34/70/17/591347017.db2.gz JWTLVEHLPSUGMG-NSHDSACASA-N 1 0 328.210 1.706 20 10 EDCDRO COc1ccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c(O)c1OC ZINC000894570428 591347803 /nfs/dbraw/zinc/34/78/03/591347803.db2.gz ZZIPWTWXNVGTNA-UHFFFAOYSA-N 1 0 338.404 1.641 20 10 EDCDRO CN(C)c1ccc([C@@H](CNCc2nnn(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000898448434 591352566 /nfs/dbraw/zinc/35/25/66/591352566.db2.gz SBVNKKLSLROFQF-MRXNPFEDSA-N 1 0 345.495 1.887 20 10 EDCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)N(C)C)cc1 ZINC000898449869 591353239 /nfs/dbraw/zinc/35/32/39/591353239.db2.gz KQULUTXRFDSMOV-NVXWUHKLSA-N 1 0 339.505 1.522 20 10 EDCDRO NC(=O)C1CCN(c2ccc(CNc3cc[nH+]cc3CO)cc2)CC1 ZINC000895218746 591660936 /nfs/dbraw/zinc/66/09/36/591660936.db2.gz NHRVJNOYZJBHJQ-UHFFFAOYSA-N 1 0 340.427 1.310 20 10 EDCDRO CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)NC ZINC000899097487 591678034 /nfs/dbraw/zinc/67/80/34/591678034.db2.gz BGYVIOPOSGBIFB-HZPDHXFCSA-N 1 0 349.479 1.179 20 10 EDCDRO CC[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102201 591682732 /nfs/dbraw/zinc/68/27/32/591682732.db2.gz OAUOXBSCGBWANY-FUHWJXTLSA-N 1 0 336.480 1.816 20 10 EDCDRO C[C@@H](CCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101823 591682736 /nfs/dbraw/zinc/68/27/36/591682736.db2.gz MOJSLTHGMVMVBF-YOEHRIQHSA-N 1 0 336.480 1.673 20 10 EDCDRO CCCN(CCO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102861 591683655 /nfs/dbraw/zinc/68/36/55/591683655.db2.gz SWWKNUHXCJVAKG-QGZVFWFLSA-N 1 0 336.480 1.769 20 10 EDCDRO CCN1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1=O ZINC000899099043 591688819 /nfs/dbraw/zinc/68/88/19/591688819.db2.gz UWRFNONJAIWUJD-MRXNPFEDSA-N 1 0 347.463 1.187 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)C2CC2)[NH+](C)C)cc1 ZINC000899101058 591689736 /nfs/dbraw/zinc/68/97/36/591689736.db2.gz HOVZBEOTOCMBMS-IAGOWNOFSA-N 1 0 334.464 1.425 20 10 EDCDRO CCOc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c(O)c1 ZINC000897041811 591722095 /nfs/dbraw/zinc/72/20/95/591722095.db2.gz MVUNKTLDUJAJKV-AWEZNQCLSA-N 1 0 334.416 1.254 20 10 EDCDRO COc1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(O)c1OC ZINC000895448650 591761199 /nfs/dbraw/zinc/76/11/99/591761199.db2.gz JJDROABQSGIFOY-CYBMUJFWSA-N 1 0 334.416 1.854 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1 ZINC000900025775 591874901 /nfs/dbraw/zinc/87/49/01/591874901.db2.gz GZJHGMQUOAEKPI-MJGOQNOKSA-N 1 0 333.476 1.946 20 10 EDCDRO C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000900386820 592003181 /nfs/dbraw/zinc/00/31/81/592003181.db2.gz HUCCZCXVKSYQHE-POZUXBRTSA-N 1 0 347.459 1.156 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1O ZINC000903107791 592120789 /nfs/dbraw/zinc/12/07/89/592120789.db2.gz FIRVTXTZBKNDBK-LSCFUAHRSA-N 1 0 334.416 1.878 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCNC(=O)C2)[NH+](C)C)cc1 ZINC000900863640 592150739 /nfs/dbraw/zinc/15/07/39/592150739.db2.gz PQBVMVXPPMLBEL-APWZRJJASA-N 1 0 346.475 1.388 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900895289 592160214 /nfs/dbraw/zinc/16/02/14/592160214.db2.gz NTOPMSSEXMPRDC-SFHVURJKSA-N 1 0 333.432 1.325 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C12CC[NH+](CC1)C2 ZINC000900899054 592164816 /nfs/dbraw/zinc/16/48/16/592164816.db2.gz FVRSRPUORSMYMI-UHFFFAOYSA-N 1 0 347.434 1.499 20 10 EDCDRO CSCCNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905532195 592563943 /nfs/dbraw/zinc/56/39/43/592563943.db2.gz ZLAYWFLLLPMSMU-UHFFFAOYSA-N 1 0 338.546 1.766 20 10 EDCDRO C[C@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)COC(=O)N1 ZINC000905700629 592614789 /nfs/dbraw/zinc/61/47/89/592614789.db2.gz IPUPHPWZJLPFQY-CDHAZOANSA-N 1 0 348.399 1.529 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911484648 592928511 /nfs/dbraw/zinc/92/85/11/592928511.db2.gz ITTIIXAUDKUNTG-HIFRSBDPSA-N 1 0 333.432 1.374 20 10 EDCDRO CC(=O)N[C@@](C)(C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000911665135 592973510 /nfs/dbraw/zinc/97/35/10/592973510.db2.gz AFNLUMZQAUQGMV-SJLPKXTDSA-N 1 0 334.464 1.419 20 10 EDCDRO COc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000911667326 592974169 /nfs/dbraw/zinc/97/41/69/592974169.db2.gz PWXZFTJMHBGGHP-QGZVFWFLSA-N 1 0 342.443 1.905 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@](C)(O)C(F)(F)F)cc1 ZINC000911667723 592974540 /nfs/dbraw/zinc/97/45/40/592974540.db2.gz RDDAMTINJPHZMG-OCCSQVGLSA-N 1 0 333.354 1.572 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)c(C(F)(F)F)c1 ZINC000839179707 593271935 /nfs/dbraw/zinc/27/19/35/593271935.db2.gz ONJMIVOCCQZZCT-ZDUSSCGKSA-N 1 0 343.353 1.514 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000809705093 593355868 /nfs/dbraw/zinc/35/58/68/593355868.db2.gz NZWTXOGTHRLNNY-ACJLOTCBSA-N 1 0 347.415 1.744 20 10 EDCDRO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000804222978 593398326 /nfs/dbraw/zinc/39/83/26/593398326.db2.gz GANZACZCANZPKE-CQSZACIVSA-N 1 0 346.475 1.530 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000817919436 593648622 /nfs/dbraw/zinc/64/86/22/593648622.db2.gz SMTRAGAYSXNRQQ-GOEBONIOSA-N 1 0 346.475 1.297 20 10 EDCDRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000817919612 593648712 /nfs/dbraw/zinc/64/87/12/593648712.db2.gz VSIIZPLKLJZJDQ-UHFFFAOYSA-N 1 0 346.475 1.169 20 10 EDCDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818614592 593708035 /nfs/dbraw/zinc/70/80/35/593708035.db2.gz CMXMCPNUWSNFIJ-JCGIZDLHSA-N 1 0 347.459 1.405 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000818654455 593710391 /nfs/dbraw/zinc/71/03/91/593710391.db2.gz BFOJQMGRHIWIBO-BZUAXINKSA-N 1 0 346.475 1.900 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000818654643 593710487 /nfs/dbraw/zinc/71/04/87/593710487.db2.gz DFYZFOAQCUJTOR-JKSUJKDBSA-N 1 0 346.475 1.820 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000818655924 593710600 /nfs/dbraw/zinc/71/06/00/593710600.db2.gz QBIMRYDTEUIHJL-RKVPGOIHSA-N 1 0 346.475 1.819 20 10 EDCDRO COC(=O)Cn1cc(C[NH2+]CCCSc2nccs2)nn1 ZINC000823938381 593891131 /nfs/dbraw/zinc/89/11/31/593891131.db2.gz YHHKYZBAAVZRMF-UHFFFAOYSA-N 1 0 327.435 1.180 20 10 EDCDRO COC(=O)Cn1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000824161664 593942064 /nfs/dbraw/zinc/94/20/64/593942064.db2.gz ONWNWWMTZPWGIK-UHFFFAOYSA-N 1 0 347.419 1.028 20 10 EDCDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000821332751 594020443 /nfs/dbraw/zinc/02/04/43/594020443.db2.gz VBAAUAIFKMIFQI-IBGZPJMESA-N 1 0 346.519 1.983 20 10 EDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC12COC2 ZINC000824489227 594023866 /nfs/dbraw/zinc/02/38/66/594023866.db2.gz HBEABUPIUNVXFF-CQSZACIVSA-N 1 0 336.407 1.903 20 10 EDCDRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824653739 594051335 /nfs/dbraw/zinc/05/13/35/594051335.db2.gz GWTWHYPLOHOFRB-DFQSSKMNSA-N 1 0 346.471 1.885 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](CO)[C@H]1CC)cc2=O ZINC000830715128 594463017 /nfs/dbraw/zinc/46/30/17/594463017.db2.gz VTRYBRHDARAUTN-SMDDNHRTSA-N 1 0 348.403 1.204 20 10 EDCDRO Oc1ccccc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826511180 594510659 /nfs/dbraw/zinc/51/06/59/594510659.db2.gz FVVPNAYBRRJQSP-UHFFFAOYSA-N 1 0 337.387 1.290 20 10 EDCDRO O=C(C[C@H]1COCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003073 594546838 /nfs/dbraw/zinc/54/68/38/594546838.db2.gz IIBWYZIOKWAXNC-HOTGVXAUSA-N 1 0 334.416 1.278 20 10 EDCDRO [NH3+]CC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1 ZINC000827366072 594665102 /nfs/dbraw/zinc/66/51/02/594665102.db2.gz YLYVPSDZDCNBQQ-UHFFFAOYSA-N 1 0 349.450 1.922 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC(CO)(CO)C2)c(C(F)(F)F)c1 ZINC000827474689 594675812 /nfs/dbraw/zinc/67/58/12/594675812.db2.gz JNYRTDXEWQMGDY-UHFFFAOYSA-N 1 0 332.366 1.948 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000832279885 594739875 /nfs/dbraw/zinc/73/98/75/594739875.db2.gz MIOUVASAEBHECK-CQSZACIVSA-N 1 0 345.359 1.191 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn3c(n2)CCCC3)cc1 ZINC000832284053 594740245 /nfs/dbraw/zinc/74/02/45/594740245.db2.gz HDUXQAJOHYPRCN-HNNXBMFYSA-N 1 0 327.432 1.715 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000840910617 594826802 /nfs/dbraw/zinc/82/68/02/594826802.db2.gz TZJYRACKOWCVNW-MRXNPFEDSA-N 1 0 344.503 1.846 20 10 EDCDRO CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000840974982 594834506 /nfs/dbraw/zinc/83/45/06/594834506.db2.gz RMOONYWTSIMOKO-UHFFFAOYSA-N 1 0 327.812 1.948 20 10 EDCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000841044259 594843770 /nfs/dbraw/zinc/84/37/70/594843770.db2.gz UWRFCEVTVHIKKK-GOSISDBHSA-N 1 0 342.443 1.406 20 10 EDCDRO [NH3+]C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000841706751 594940872 /nfs/dbraw/zinc/94/08/72/594940872.db2.gz IQYKMRZUPIDMID-UHFFFAOYSA-N 1 0 334.489 1.873 20 10 EDCDRO COC[C@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCC[NH2+]1 ZINC000841709781 594941246 /nfs/dbraw/zinc/94/12/46/594941246.db2.gz MMCSEDHAEGXPOV-LJQANCHMSA-N 1 0 346.475 1.855 20 10 EDCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000841713276 594942227 /nfs/dbraw/zinc/94/22/27/594942227.db2.gz XGIWQLQZBYUEMF-AGIUHOORSA-N 1 0 338.427 1.586 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N[C@H]3C[NH2+]CCC3(F)F)ccc21 ZINC000841760653 594948142 /nfs/dbraw/zinc/94/81/42/594948142.db2.gz XJBXQIRVVUWODI-HNNXBMFYSA-N 1 0 338.402 1.865 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc21 ZINC000841760678 594948316 /nfs/dbraw/zinc/94/83/16/594948316.db2.gz XVXFHRXZZGYTEB-IAGOWNOFSA-N 1 0 328.460 1.962 20 10 EDCDRO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841882905 594973048 /nfs/dbraw/zinc/97/30/48/594973048.db2.gz PGKLQICABSKESE-OAHLLOKOSA-N 1 0 333.480 1.408 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NCC3CC[NH2+]CC3)CC2)cc1 ZINC000841923905 594982626 /nfs/dbraw/zinc/98/26/26/594982626.db2.gz QTRUDWRYSYTKEP-UHFFFAOYSA-N 1 0 346.475 1.917 20 10 EDCDRO O=C(N[C@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841943324 594986519 /nfs/dbraw/zinc/98/65/19/594986519.db2.gz KJUHXLHZULGCHN-HOTGVXAUSA-N 1 0 333.432 1.835 20 10 EDCDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841957603 594989406 /nfs/dbraw/zinc/98/94/06/594989406.db2.gz SEOUBBMXIVPGJR-UHFFFAOYSA-N 1 0 347.507 1.479 20 10 EDCDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000841989304 594996264 /nfs/dbraw/zinc/99/62/64/594996264.db2.gz URSNMAXYZKXZML-NVXWUHKLSA-N 1 0 346.475 1.805 20 10 EDCDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841999364 594998364 /nfs/dbraw/zinc/99/83/64/594998364.db2.gz HWJRURXFOJNGBS-IAZYJMLFSA-N 1 0 326.194 1.172 20 10 EDCDRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000842069773 595012944 /nfs/dbraw/zinc/01/29/44/595012944.db2.gz BTDKVIBMVDMAMF-HNNXBMFYSA-N 1 0 348.491 1.224 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000842206444 595038962 /nfs/dbraw/zinc/03/89/62/595038962.db2.gz GKPOYKRWRKUZTO-ZBFHGGJFSA-N 1 0 346.475 1.345 20 10 EDCDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842213229 595041450 /nfs/dbraw/zinc/04/14/50/595041450.db2.gz MJIIFCUGIBQMML-QGZVFWFLSA-N 1 0 344.459 1.113 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000842229737 595045537 /nfs/dbraw/zinc/04/55/37/595045537.db2.gz MSAPTYCVLZWLOH-HZPDHXFCSA-N 1 0 347.459 1.907 20 10 EDCDRO CC[NH2+]CCNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000842233160 595047130 /nfs/dbraw/zinc/04/71/30/595047130.db2.gz ZCPSVUCFKVEGFK-UHFFFAOYSA-N 1 0 346.475 1.361 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000842250003 595054990 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COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846156220 595160514 /nfs/dbraw/zinc/16/05/14/595160514.db2.gz CQHDOEFUZKUEBZ-VXGBXAGGSA-N 1 0 328.434 1.333 20 10 EDCDRO CCO[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000846159280 595161630 /nfs/dbraw/zinc/16/16/30/595161630.db2.gz FQMVGQBNKFLLPC-YSVLISHTSA-N 1 0 334.464 1.819 20 10 EDCDRO CC[C@@H](CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)OC ZINC000842786325 595197965 /nfs/dbraw/zinc/19/79/65/595197965.db2.gz WSHWSBKBKYKOHL-LSDHHAIUSA-N 1 0 329.466 1.097 20 10 EDCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000834895587 595237781 /nfs/dbraw/zinc/23/77/81/595237781.db2.gz CEMFEQNADHWIGO-IUIKQTSFSA-N 1 0 326.824 1.587 20 10 EDCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)S(C)(=O)=O ZINC000843066441 595279164 /nfs/dbraw/zinc/27/91/64/595279164.db2.gz XHMAEFNAWQFXER-CQSZACIVSA-N 1 0 340.489 1.418 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846673350 595298233 /nfs/dbraw/zinc/29/82/33/595298233.db2.gz RRDLEVHPRLUCTI-QGZVFWFLSA-N 1 0 331.460 1.871 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000846697775 595303411 /nfs/dbraw/zinc/30/34/11/595303411.db2.gz WAOSDYCQKPZZAW-CQSZACIVSA-N 1 0 337.489 1.685 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3C[C@H](O)C3(C)C)CC2)cc1 ZINC000846957366 595342679 /nfs/dbraw/zinc/34/26/79/595342679.db2.gz FRVWGLRFJYLMBZ-SJORKVTESA-N 1 0 347.459 1.093 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)CC[NH2+]C3CC3)CC2)cc1 ZINC000848414651 595375746 /nfs/dbraw/zinc/37/57/46/595375746.db2.gz AYMZPTLNLFNWJF-UHFFFAOYSA-N 1 0 346.475 1.076 20 10 EDCDRO CCc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC)CC2)c1O ZINC000848893188 595464346 /nfs/dbraw/zinc/46/43/46/595464346.db2.gz RSKFCPPACVMBHC-UHFFFAOYSA-N 1 0 326.462 1.858 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852789389 595543546 /nfs/dbraw/zinc/54/35/46/595543546.db2.gz DDWQTRZILIQQIA-MRXNPFEDSA-N 1 0 330.432 1.739 20 10 EDCDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868442 595588540 /nfs/dbraw/zinc/58/85/40/595588540.db2.gz FLBLDYXXQMJYBZ-MRXNPFEDSA-N 1 0 337.489 1.344 20 10 EDCDRO COc1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c(O)c1 ZINC000852890737 595601306 /nfs/dbraw/zinc/60/13/06/595601306.db2.gz LSBMZGTXDBMVBO-ZDUSSCGKSA-N 1 0 345.403 1.237 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3nc(C)c[nH]3)CC2)cc1 ZINC000850089690 595734976 /nfs/dbraw/zinc/73/49/76/595734976.db2.gz DIDQEGPNUBLAII-UHFFFAOYSA-N 1 0 329.448 1.639 20 10 EDCDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858278359 595750636 /nfs/dbraw/zinc/75/06/36/595750636.db2.gz WVZAXYRBQBDHIC-INIZCTEOSA-N 1 0 348.491 1.773 20 10 EDCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1C1CCC1 ZINC000858341019 595768822 /nfs/dbraw/zinc/76/88/22/595768822.db2.gz VWLVWROOGBEHMN-SFHVURJKSA-N 1 0 329.444 1.766 20 10 EDCDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853593184 595820908 /nfs/dbraw/zinc/82/09/08/595820908.db2.gz KKYJIGUNOYECRU-BLLLJJGKSA-N 1 0 332.400 1.262 20 10 EDCDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406638 595828905 /nfs/dbraw/zinc/82/89/05/595828905.db2.gz NWYGEGMWTPGZJB-JEBQAFNWSA-N 1 0 332.444 1.935 20 10 EDCDRO CN(C)c1nccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000850406798 595829107 /nfs/dbraw/zinc/82/91/07/595829107.db2.gz UMBVBJBXOSRSQK-UHFFFAOYSA-N 1 0 341.459 1.794 20 10 EDCDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851664200 595874858 /nfs/dbraw/zinc/87/48/58/595874858.db2.gz UDKRWHVPBYKZPX-JKSUJKDBSA-N 1 0 346.475 1.717 20 10 EDCDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851680069 595882280 /nfs/dbraw/zinc/88/22/80/595882280.db2.gz HBXMNHOXHQPRSX-GOEBONIOSA-N 1 0 346.475 1.526 20 10 EDCDRO CCOC(=O)C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000859190410 595999493 /nfs/dbraw/zinc/99/94/93/595999493.db2.gz JXULWYOIPXFTBA-HOTGVXAUSA-N 1 0 337.416 1.687 20 10 EDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cn[nH]n1 ZINC000122596074 596525116 /nfs/dbraw/zinc/52/51/16/596525116.db2.gz NDLJBDWEAYBQQY-UHFFFAOYSA-N 1 0 340.431 1.267 20 10 EDCDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(C)n1-c1ccccn1 ZINC000863830429 596699942 /nfs/dbraw/zinc/69/99/42/596699942.db2.gz SOJMXYXUKWATIY-HNNXBMFYSA-N 1 0 328.416 1.286 20 10 EDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000863968191 596736708 /nfs/dbraw/zinc/73/67/08/596736708.db2.gz FKRFWXHPMFURPI-WOJBJXKFSA-N 1 0 348.487 1.867 20 10 EDCDRO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)CC1 ZINC000868291185 596769835 /nfs/dbraw/zinc/76/98/35/596769835.db2.gz DVUHTWQBWIFQIU-UHFFFAOYSA-N 1 0 330.432 1.542 20 10 EDCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1O ZINC000868290318 596770384 /nfs/dbraw/zinc/77/03/84/596770384.db2.gz LSKWEDCNZVQVRZ-LSDHHAIUSA-N 1 0 346.475 1.921 20 10 EDCDRO CC(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@@H+]1C ZINC000866218545 596832053 /nfs/dbraw/zinc/83/20/53/596832053.db2.gz RFCIFIYOHHKEOO-CQSZACIVSA-N 1 0 334.376 1.702 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000866441333 596887435 /nfs/dbraw/zinc/88/74/35/596887435.db2.gz ZOGIVOFJEZYMQL-QFOLPQNPSA-N 1 0 338.379 1.735 20 10 EDCDRO C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1O ZINC000868578724 596887947 /nfs/dbraw/zinc/88/79/47/596887947.db2.gz HZZQIMJOZAGLEJ-AWEZNQCLSA-N 1 0 334.464 1.778 20 10 EDCDRO NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000872657872 597014075 /nfs/dbraw/zinc/01/40/75/597014075.db2.gz LAUWLUBDHRBLQM-UHFFFAOYSA-N 1 0 340.379 1.707 20 10 EDCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873130466 597206795 /nfs/dbraw/zinc/20/67/95/597206795.db2.gz DPJCSBHRKUJOST-IAGOWNOFSA-N 1 0 333.432 1.552 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@@]3(C)C[C@@H](OC)C[NH2+]3)CC2)cc1 ZINC000876748283 597320711 /nfs/dbraw/zinc/32/07/11/597320711.db2.gz AIPDHHUQZGSDAM-IEBWSBKVSA-N 1 0 347.459 1.547 20 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/nfs/dbraw/zinc/86/80/38/597868038.db2.gz IUFSSFKPQXGHHJ-KRWDZBQOSA-N 1 0 334.464 1.663 20 10 EDCDRO CCCCC[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918846026 697215781 /nfs/dbraw/zinc/21/57/81/697215781.db2.gz PCNCHWGGOOCNBJ-GOSISDBHSA-N 1 0 333.476 1.996 20 10 EDCDRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921519347 703353675 /nfs/dbraw/zinc/35/36/75/703353675.db2.gz BLOVTTXXEORNIE-UHFFFAOYSA-N 1 0 346.452 1.991 20 10 EDCDRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922827962 704391427 /nfs/dbraw/zinc/39/14/27/704391427.db2.gz XHTRGOCFNQDKJN-INIZCTEOSA-N 1 0 326.462 1.172 20 10 EDCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C(N)=O)cc1C ZINC001004927265 707670451 /nfs/dbraw/zinc/67/04/51/707670451.db2.gz NVNOKEOEQOHLMP-DZGCQCFKSA-N 1 0 333.432 1.348 20 10 EDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372489778 250220691 /nfs/dbraw/zinc/22/06/91/250220691.db2.gz HYLCIZQBWUSXRW-CXAGYDPISA-N 1 0 328.460 1.961 20 10 EDCDRO O=C1N[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]2CO1 ZINC000369701462 250203841 /nfs/dbraw/zinc/20/38/41/250203841.db2.gz DZVKZZRXXBLXAK-WBVHZDCISA-N 1 0 331.416 1.454 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118842679 441906334 /nfs/dbraw/zinc/90/63/34/441906334.db2.gz WERFTQJXSBWLQF-QGZVFWFLSA-N 1 0 332.492 1.642 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000078642408 441956820 /nfs/dbraw/zinc/95/68/20/441956820.db2.gz DFXZWNFTSFMYFW-SFHVURJKSA-N 1 0 332.492 1.737 20 10 EDCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165489055 442209387 /nfs/dbraw/zinc/20/93/87/442209387.db2.gz NDATVGQSYXYMJI-AWEZNQCLSA-N 1 0 345.365 1.896 20 10 EDCDRO COCC[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000171203496 442327477 /nfs/dbraw/zinc/32/74/77/442327477.db2.gz ZZQATAUECNNHMI-UHFFFAOYSA-N 1 0 326.416 1.269 20 10 EDCDRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000154316509 442332118 /nfs/dbraw/zinc/33/21/18/442332118.db2.gz 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1.388 20 10 EDCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(OC)c(OC)c2O)CCOC1 ZINC000893629991 591020009 /nfs/dbraw/zinc/02/00/09/591020009.db2.gz JUSLEQLUBVIGRX-MRXNPFEDSA-N 1 0 325.361 1.221 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)COC[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000891251916 591020164 /nfs/dbraw/zinc/02/01/64/591020164.db2.gz IBVMQYZTAAHKNZ-MSOLQXFVSA-N 1 0 349.475 1.667 20 10 EDCDRO C=CC(=O)NCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254116 591021155 /nfs/dbraw/zinc/02/11/55/591021155.db2.gz VSBNVMRQKSCGKB-INIZCTEOSA-N 1 0 332.448 1.164 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000892578105 591079184 /nfs/dbraw/zinc/07/91/84/591079184.db2.gz PSOIHUYMMMUPHH-SHTZXODSSA-N 1 0 332.448 1.654 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000891607275 591148318 /nfs/dbraw/zinc/14/83/18/591148318.db2.gz NVMTXTIECSGJFA-ROUUACIJSA-N 1 0 346.475 1.493 20 10 EDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000895688161 591249388 /nfs/dbraw/zinc/24/93/88/591249388.db2.gz LKDQBRJPZRXBTN-KRWDZBQOSA-N 1 0 349.475 1.287 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1OC ZINC000893002525 591251570 /nfs/dbraw/zinc/25/15/70/591251570.db2.gz UPVMWNOBJZLPRD-OLZOCXBDSA-N 1 0 343.445 1.855 20 10 EDCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000895706577 591255613 /nfs/dbraw/zinc/25/56/13/591255613.db2.gz HDUBDAVSLKVTLI-ZDUSSCGKSA-N 1 0 330.178 1.265 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000894671770 591383161 /nfs/dbraw/zinc/38/31/61/591383161.db2.gz CJZKDIMGIDZGSV-OCCSQVGLSA-N 1 0 342.461 1.517 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2COCO2)[NH+](C)C)cc1 ZINC000896194581 591385944 /nfs/dbraw/zinc/38/59/44/591385944.db2.gz DKQGZZBIRVUDTN-HZPDHXFCSA-N 1 0 336.436 1.027 20 10 EDCDRO CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H](C)O ZINC000899097917 591676165 /nfs/dbraw/zinc/67/61/65/591676165.db2.gz IUOFKJZXGOYBRW-RRQGHBQHSA-N 1 0 336.480 1.814 20 10 EDCDRO C[C@H](O)[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098418 591688229 /nfs/dbraw/zinc/68/82/29/591688229.db2.gz NQKLDHQKEHTHEU-QGTPRVQTSA-N 1 0 348.491 1.910 20 10 EDCDRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000897053762 591724680 /nfs/dbraw/zinc/72/46/80/591724680.db2.gz UEBIWXFWLVPCFX-VIFPVBQESA-N 1 0 349.250 1.265 20 10 EDCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CO1 ZINC000895525312 591788911 /nfs/dbraw/zinc/78/89/11/591788911.db2.gz SYQKPYACUAQOQZ-UNEWFSDZSA-N 1 0 334.464 1.832 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900895283 592160120 /nfs/dbraw/zinc/16/01/20/592160120.db2.gz NOQUKAFZILVMIS-OAHLLOKOSA-N 1 0 331.416 1.199 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)CC1(O)CCCC1 ZINC000905062232 592397741 /nfs/dbraw/zinc/39/77/41/592397741.db2.gz LUSBOXLPDIRQEG-SFHVURJKSA-N 1 0 334.460 1.669 20 10 EDCDRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910942566 592905273 /nfs/dbraw/zinc/90/52/73/592905273.db2.gz FHDZCOOJGRFTBU-WBVHZDCISA-N 1 0 334.416 1.461 20 10 EDCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000911225088 592969052 /nfs/dbraw/zinc/96/90/52/592969052.db2.gz BHGSLISJHLTDNI-PBHICJAKSA-N 1 0 346.475 1.530 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)C[C@@H](CO)C1)cc2=O ZINC000817278168 593587677 /nfs/dbraw/zinc/58/76/77/593587677.db2.gz TYNMZTFEAPQJGH-VXGBXAGGSA-N 1 0 348.403 1.062 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000817950022 593651390 /nfs/dbraw/zinc/65/13/90/593651390.db2.gz QBZIILBDQNNVKJ-HOCLYGCPSA-N 1 0 347.459 1.717 20 10 EDCDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O ZINC000818362246 593694704 /nfs/dbraw/zinc/69/47/04/593694704.db2.gz SMYORFKEAOMTOZ-KWQFWETISA-N 1 0 341.205 1.953 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C[NH3+])C3CC3)C2)cc1 ZINC000818656204 593710601 /nfs/dbraw/zinc/71/06/01/593710601.db2.gz SEUNVRLFBPGWMK-DYVFJYSZSA-N 1 0 332.448 1.558 20 10 EDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966566 593730993 /nfs/dbraw/zinc/73/09/93/593730993.db2.gz LFMXLMXTPJSHTH-IJEWVQPXSA-N 1 0 340.439 1.926 20 10 EDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(OCC)c2O)CC12COC2 ZINC000824490021 594024154 /nfs/dbraw/zinc/02/41/54/594024154.db2.gz SISDQNZUAUQEOS-CQSZACIVSA-N 1 0 335.400 1.802 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000830229784 594358924 /nfs/dbraw/zinc/35/89/24/594358924.db2.gz HKGRRHRNGVYSCN-GOSISDBHSA-N 1 0 331.460 1.870 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000827469225 594675063 /nfs/dbraw/zinc/67/50/63/594675063.db2.gz QTDDRZPOYCGFFT-HOTGVXAUSA-N 1 0 344.459 1.147 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CCc3ccccc32)cc1 ZINC000832274072 594739666 /nfs/dbraw/zinc/73/96/66/594739666.db2.gz RPVSUCJHPGFXNY-SFHVURJKSA-N 1 0 338.455 1.931 20 10 EDCDRO CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832279624 594739896 /nfs/dbraw/zinc/73/98/96/594739896.db2.gz KYOTZQKCOOHKGO-AEFFLSMTSA-N 1 0 346.475 1.516 20 10 EDCDRO Cc1nn(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000832281608 594740083 /nfs/dbraw/zinc/74/00/83/594740083.db2.gz VAJCAAKTCLOOCW-ZDUSSCGKSA-N 1 0 346.391 1.133 20 10 EDCDRO CC(C)CN1C[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1=O ZINC000832299508 594741193 /nfs/dbraw/zinc/74/11/93/594741193.db2.gz BUFYRCRKYJPSNX-NVXWUHKLSA-N 1 0 346.475 1.373 20 10 EDCDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCCCCC1 ZINC000841002455 594837725 /nfs/dbraw/zinc/83/77/25/594837725.db2.gz SKOPAKHLRDOECT-UHFFFAOYSA-N 1 0 332.448 1.978 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000841779185 594951104 /nfs/dbraw/zinc/95/11/04/594951104.db2.gz NBFSPGRVMFNPOU-KBXCAEBGSA-N 1 0 346.475 1.961 20 10 EDCDRO O=C(NCc1cccc(Br)c1O)NCC1=CC[NH2+]CC1 ZINC000841971088 594992206 /nfs/dbraw/zinc/99/22/06/594992206.db2.gz DNQABWHEPLGXTB-UHFFFAOYSA-N 1 0 340.221 1.874 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000841985985 594995796 /nfs/dbraw/zinc/99/57/96/594995796.db2.gz COOZSMBTNAOBCZ-YJBOKZPZSA-N 1 0 346.475 1.915 20 10 EDCDRO COCC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000841992801 594997461 /nfs/dbraw/zinc/99/74/61/594997461.db2.gz XZLICHHXHJAJHZ-UHFFFAOYSA-N 1 0 348.491 1.910 20 10 EDCDRO Cc1cc(C(O)=CONC(=[NH2+])CCO)c(C)n1-c1ccc(F)cn1 ZINC000842040263 595007868 /nfs/dbraw/zinc/00/78/68/595007868.db2.gz FQELDKBYNKXZSY-UHFFFAOYSA-N 1 0 334.351 1.692 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000842207183 595038912 /nfs/dbraw/zinc/03/89/12/595038912.db2.gz MOLIUONSZCJDJG-HOCLYGCPSA-N 1 0 346.475 1.345 20 10 EDCDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842224811 595044513 /nfs/dbraw/zinc/04/45/13/595044513.db2.gz CQGCXMCOBVCEDL-OAHLLOKOSA-N 1 0 345.443 1.532 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000842232856 595047334 /nfs/dbraw/zinc/04/73/34/595047334.db2.gz NPGKXYRVLQGXRY-OAHLLOKOSA-N 1 0 333.432 1.389 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000843266565 595058002 /nfs/dbraw/zinc/05/80/02/595058002.db2.gz YERDXQFPCOWRHO-KGLIPLIRSA-N 1 0 335.448 1.763 20 10 EDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842268098 595061044 /nfs/dbraw/zinc/06/10/44/595061044.db2.gz LRDPUDYBVVNHTL-OAHLLOKOSA-N 1 0 334.464 1.345 20 10 EDCDRO Cc1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000843297826 595065972 /nfs/dbraw/zinc/06/59/72/595065972.db2.gz KORXQXDEPNRWSG-OAHLLOKOSA-N 1 0 328.416 1.900 20 10 EDCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000843433213 595110255 /nfs/dbraw/zinc/11/02/55/595110255.db2.gz XIKJYPUGZJLCMX-AWEZNQCLSA-N 1 0 332.322 1.901 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000843489021 595127110 /nfs/dbraw/zinc/12/71/10/595127110.db2.gz AVQRWAFFIMZDAS-VHSXEESVSA-N 1 0 328.796 1.531 20 10 EDCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000834590130 595170226 /nfs/dbraw/zinc/17/02/26/595170226.db2.gz RBDWXPVKYHIRRR-SJORKVTESA-N 1 0 331.460 1.376 20 10 EDCDRO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846194169 595170795 /nfs/dbraw/zinc/17/07/95/595170795.db2.gz LVOULKPCIBMESV-RDTXWAMCSA-N 1 0 338.423 1.854 20 10 EDCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]2CCCCN12 ZINC000835072266 595257095 /nfs/dbraw/zinc/25/70/95/595257095.db2.gz DXWHDTQWYIVQJD-RDJZCZTQSA-N 1 0 347.434 1.905 20 10 EDCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174225 595291964 /nfs/dbraw/zinc/29/19/64/595291964.db2.gz RINUTHYBLUJNAD-HNNXBMFYSA-N 1 0 333.476 1.900 20 10 EDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000844175347 595292528 /nfs/dbraw/zinc/29/25/28/595292528.db2.gz HEAKMDQJULROBH-KMFMINBZSA-N 1 0 346.475 1.378 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)cc1 ZINC000846672403 595297746 /nfs/dbraw/zinc/29/77/46/595297746.db2.gz GVUIOODCGFDYTM-QGZVFWFLSA-N 1 0 334.464 1.013 20 10 EDCDRO C[NH+](C)CC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846677383 595299505 /nfs/dbraw/zinc/29/95/05/595299505.db2.gz OWBUHBFZLNSOSL-JKSUJKDBSA-N 1 0 335.448 1.179 20 10 EDCDRO CC[N@H+](C)C[C@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000846824785 595322167 /nfs/dbraw/zinc/32/21/67/595322167.db2.gz PAEYZCANJJVYDO-AWEZNQCLSA-N 1 0 344.839 1.333 20 10 EDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000848232175 595343453 /nfs/dbraw/zinc/34/34/53/595343453.db2.gz YRHGOCFMNKLROL-AWEZNQCLSA-N 1 0 334.416 1.626 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C[C@@H](C)O)C3CC3)CC2)cc1 ZINC000847095996 595363139 /nfs/dbraw/zinc/36/31/39/595363139.db2.gz HBXQOYZVFSCGKR-OAHLLOKOSA-N 1 0 347.459 1.189 20 10 EDCDRO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)[C@@H](C)N1CCOCC1 ZINC000844955518 595419680 /nfs/dbraw/zinc/41/96/80/595419680.db2.gz WJOBFFNNRDFLSS-VXGBXAGGSA-N 1 0 341.839 1.954 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=[NH2+])NC3CCCC3)cc2)C1 ZINC000849017250 595474914 /nfs/dbraw/zinc/47/49/14/595474914.db2.gz OPKUSGKZPASQBA-HNNXBMFYSA-N 1 0 343.475 1.945 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000852865331 595584935 /nfs/dbraw/zinc/58/49/35/595584935.db2.gz ZKRCOSAXVZEPPT-IAGOWNOFSA-N 1 0 333.432 1.144 20 10 EDCDRO COc1ccc2ccc(O)c(C[N@H+](C)CC(=O)N3CCOCC3)c2c1 ZINC000111164080 595705822 /nfs/dbraw/zinc/70/58/22/595705822.db2.gz DDJMURQSJJGHHR-UHFFFAOYSA-N 1 0 344.411 1.845 20 10 EDCDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853585217 595814230 /nfs/dbraw/zinc/81/42/30/595814230.db2.gz WNVVNCWWHVKZAP-SWLSCSKDSA-N 1 0 335.404 1.006 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CCC([NH3+])CC3)C2)cc1 ZINC000851666095 595875883 /nfs/dbraw/zinc/87/58/83/595875883.db2.gz YJSLMCQZKVFUJL-NRXISQOPSA-N 1 0 332.448 1.843 20 10 EDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851682411 595882897 /nfs/dbraw/zinc/88/28/97/595882897.db2.gz WJUJICFRJIFMJW-LSDHHAIUSA-N 1 0 346.475 1.540 20 10 EDCDRO C[NH+](C)C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000856212021 595926714 /nfs/dbraw/zinc/92/67/14/595926714.db2.gz GKLZEKKHQXYLKP-UHFFFAOYSA-N 1 0 331.460 1.748 20 10 EDCDRO CCOC(=O)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000859230499 596011733 /nfs/dbraw/zinc/01/17/33/596011733.db2.gz ZRYRISIBGLCUEX-RHSMWYFYSA-N 1 0 336.432 1.488 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000852186759 596076322 /nfs/dbraw/zinc/07/63/22/596076322.db2.gz HZEYBYGOOIJLJS-CABCVRRESA-N 1 0 332.448 1.667 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000856766497 596076982 /nfs/dbraw/zinc/07/69/82/596076982.db2.gz AWWMVNXCMPGDFK-HNNXBMFYSA-N 1 0 325.416 1.468 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861806276 596108796 /nfs/dbraw/zinc/10/87/96/596108796.db2.gz ZXMSYONIYCJCIA-ZBFHGGJFSA-N 1 0 346.475 1.358 20 10 EDCDRO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000857067352 596151664 /nfs/dbraw/zinc/15/16/64/596151664.db2.gz KIKLBLHPQOVQKX-UHFFFAOYSA-N 1 0 329.375 1.952 20 10 EDCDRO C[N@H+](CC(=O)NCc1ccc2cccnc2c1O)[C@@H]1CCSC1 ZINC000862026994 596186149 /nfs/dbraw/zinc/18/61/49/596186149.db2.gz GKVPSTFQXYCXBQ-CQSZACIVSA-N 1 0 331.441 1.994 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000863341889 596557335 /nfs/dbraw/zinc/55/73/35/596557335.db2.gz WHXWCBXXOFUGCC-CYBMUJFWSA-N 1 0 342.461 1.470 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1)[C@H](O)CO2 ZINC000872815475 597083046 /nfs/dbraw/zinc/08/30/46/597083046.db2.gz OTKGFAPCZOHXPL-OCCSQVGLSA-N 1 0 333.306 1.971 20 10 EDCDRO COc1ccc(C[NH2+]CCN2CCOC[C@H]2C)cc1Cn1cccn1 ZINC000873042126 597168840 /nfs/dbraw/zinc/16/88/40/597168840.db2.gz MLXSAUXBQHLTOQ-MRXNPFEDSA-N 1 0 344.459 1.750 20 10 EDCDRO COc1ccc(C[NH2+]CCCn2ccnn2)cc1Cn1cccn1 ZINC000873103656 597195511 /nfs/dbraw/zinc/19/55/11/597195511.db2.gz 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CN(C)c1ccc(/C=C\C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1 ZINC000877667103 597546211 /nfs/dbraw/zinc/54/62/11/597546211.db2.gz DDCZXVGIWBSNTH-CQQBRXBZSA-N 1 0 327.428 1.750 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)OC)=NO3)C2)c(O)c1 ZINC000877715596 597550328 /nfs/dbraw/zinc/55/03/28/597550328.db2.gz YWMPWKNTZSZRFV-KRWDZBQOSA-N 1 0 334.372 1.685 20 10 EDCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cn[nH]c1 ZINC000883558845 597802822 /nfs/dbraw/zinc/80/28/22/597802822.db2.gz MZSFARJLLCUIJB-CQSZACIVSA-N 1 0 342.447 1.722 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)c(OC)c1 ZINC000879463425 597924483 /nfs/dbraw/zinc/92/44/83/597924483.db2.gz HGPUVBTZHVCKMX-HNNXBMFYSA-N 1 0 346.431 1.083 20 10 EDCDRO CCC[C@H]([NH3+])c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083742 598069666 /nfs/dbraw/zinc/06/96/66/598069666.db2.gz GTRKAIKZRVSFJO-INIZCTEOSA-N 1 0 344.463 1.803 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[NH2+]CC3(C)C)C2)cc1 ZINC000884368530 598083230 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CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386714 441221973 /nfs/dbraw/zinc/22/19/73/441221973.db2.gz NLQSCVYQIFYRCX-AWEZNQCLSA-N 1 0 332.448 1.953 20 10 EDCDRO CC(C)C[NH+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000049970959 441367744 /nfs/dbraw/zinc/36/77/44/441367744.db2.gz CZVCNSKENVCBOH-UHFFFAOYSA-N 1 0 332.492 1.642 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)CC[C@H](C)O)CC2)cc1 ZINC000075780364 441554462 /nfs/dbraw/zinc/55/44/62/441554462.db2.gz VFZFIEPQAZWAJS-HNNXBMFYSA-N 1 0 335.448 1.047 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000113963981 441629080 /nfs/dbraw/zinc/62/90/80/441629080.db2.gz CNJWUIXLLNLBTA-UHFFFAOYSA-N 1 0 334.464 1.663 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158794418 441763289 /nfs/dbraw/zinc/76/32/89/441763289.db2.gz LYUFTEZIGGPIOD-SQZHUTIHSA-N 1 0 341.455 1.748 20 10 EDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000165484648 442208983 /nfs/dbraw/zinc/20/89/83/442208983.db2.gz HUGDBILGCCZWTJ-SFHVURJKSA-N 1 0 331.460 1.654 20 10 EDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000165483733 442209381 /nfs/dbraw/zinc/20/93/81/442209381.db2.gz MGMWFNLMDQHXAN-KRWDZBQOSA-N 1 0 331.460 1.511 20 10 EDCDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000269264626 443257754 /nfs/dbraw/zinc/25/77/54/443257754.db2.gz YMNDMNZTVGATDV-KGLIPLIRSA-N 1 0 335.423 1.530 20 10 EDCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000264595856 443339779 /nfs/dbraw/zinc/33/97/79/443339779.db2.gz MMFNSPPVSGYUAD-CYBMUJFWSA-N 1 0 329.238 1.965 20 10 EDCDRO CCCC[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1O ZINC000282524746 443365063 /nfs/dbraw/zinc/36/50/63/443365063.db2.gz UHUTVXAEHHWCBS-UHFFFAOYSA-N 1 0 347.459 1.733 20 10 EDCDRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC000272093627 443525202 /nfs/dbraw/zinc/52/52/02/443525202.db2.gz UBHUFYKQZQDTOA-NVXWUHKLSA-N 1 0 337.441 1.447 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCCC[C@@H]1OC)cc2=O ZINC000275201813 443623224 /nfs/dbraw/zinc/62/32/24/443623224.db2.gz IAYJZNJVBMIUCN-KBPBESRZSA-N 1 0 348.403 1.659 20 10 EDCDRO CC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1O ZINC000280996615 443792898 /nfs/dbraw/zinc/79/28/98/443792898.db2.gz NIEVIEOLOQUKFW-SWLSCSKDSA-N 1 0 328.416 1.991 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000292393222 443793485 /nfs/dbraw/zinc/79/34/85/443793485.db2.gz IKHDJWDFPMUABO-CQSZACIVSA-N 1 0 348.365 1.757 20 10 EDCDRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(F)ccc1O ZINC000280884017 443766644 /nfs/dbraw/zinc/76/66/44/443766644.db2.gz DPFVHLFRGBURGJ-MNOVXSKESA-N 1 0 332.379 1.740 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCF)cc2F)CC1 ZINC000281837894 444019239 /nfs/dbraw/zinc/01/92/39/444019239.db2.gz QNTDULNQOYWUFR-UHFFFAOYSA-N 1 0 326.391 1.736 20 10 EDCDRO COc1c(O)c(C[NH2+][C@@H](C)C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000278300034 444132522 /nfs/dbraw/zinc/13/25/22/444132522.db2.gz CRLLOQSMGBPPFG-JTQLQIEISA-N 1 0 349.343 1.697 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1C ZINC000289842811 444210250 /nfs/dbraw/zinc/21/02/50/444210250.db2.gz URBQCMQFQSATHH-KBXCAEBGSA-N 1 0 331.416 1.962 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)[C@@H]3C)CC2)cc1 ZINC000296326552 444220824 /nfs/dbraw/zinc/22/08/24/444220824.db2.gz QMADNGQZSHVHIC-MAUKXSAKSA-N 1 0 347.459 1.189 20 10 EDCDRO CCS(=O)(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000289571443 444173837 /nfs/dbraw/zinc/17/38/37/444173837.db2.gz ZRDXQTXKXHGXSE-UHFFFAOYSA-N 1 0 332.853 1.949 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1 ZINC000289678619 444189730 /nfs/dbraw/zinc/18/97/30/444189730.db2.gz DYBCOWOSSBKOFM-UHFFFAOYSA-N 1 0 347.459 1.387 20 10 EDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359957145 445504070 /nfs/dbraw/zinc/50/40/70/445504070.db2.gz GNOHXFGAOUHVHW-DLBZAZTESA-N 1 0 333.476 1.758 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000363390647 445784859 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EDCDRO COc1ccc(N2CCC(N(C)Cc3nccc(N)n3)CC2)cc1 ZINC000366665261 446300375 /nfs/dbraw/zinc/30/03/75/446300375.db2.gz XJELYIRWXPZHKY-UHFFFAOYSA-N 1 0 327.432 2.168 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3nccn3C)CC2)c1 ZINC000367718401 446578792 /nfs/dbraw/zinc/57/87/92/446578792.db2.gz GDNHFDKDRWNTTM-UHFFFAOYSA-N 1 0 330.432 1.842 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1C(=O)N1CCOCC1 ZINC000375537204 446880540 /nfs/dbraw/zinc/88/05/40/446880540.db2.gz MAZLUOJNKSEXEI-IUODEOHRSA-N 1 0 338.835 1.972 20 10 EDCDRO O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1C[N@@H+]2CCN1CCC2 ZINC000377089559 446913497 /nfs/dbraw/zinc/91/34/97/446913497.db2.gz NOTROHQCXQEHEC-CYBMUJFWSA-N 1 0 344.242 1.705 20 10 EDCDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000299311543 527463441 /nfs/dbraw/zinc/46/34/41/527463441.db2.gz DWECVHMSRVCJDN-HNNXBMFYSA-N 1 0 341.333 1.895 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000732413428 578710758 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COC(=O)C[C@@]1([NH2+]Cc2cc(OC)c(OC)cc2O)CCCOC1 ZINC000770678632 580267441 /nfs/dbraw/zinc/26/74/41/580267441.db2.gz NDZBXJROVDBYJP-KRWDZBQOSA-N 1 0 339.388 1.611 20 10 EDCDRO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000775259784 580387036 /nfs/dbraw/zinc/38/70/36/580387036.db2.gz LBAIKIJYRYMUOR-YJBOKZPZSA-N 1 0 330.432 1.431 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1 ZINC000775372666 580389526 /nfs/dbraw/zinc/38/95/26/580389526.db2.gz FYMMHVGTXDQYAH-LLVKDONJSA-N 1 0 337.420 1.082 20 10 EDCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS1(=O)=O ZINC000775702867 580397811 /nfs/dbraw/zinc/39/78/11/580397811.db2.gz ZCZYAXADBZNNNJ-OAHLLOKOSA-N 1 0 337.489 1.057 20 10 EDCDRO Cn1cnnc1[C@H]1CCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727105 580398692 /nfs/dbraw/zinc/39/86/92/580398692.db2.gz IRXRYCZOGAQURS-GOSISDBHSA-N 1 0 340.475 1.904 20 10 EDCDRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775833920 580402233 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CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783727686 580604853 /nfs/dbraw/zinc/60/48/53/580604853.db2.gz CFXVBCQXVSBFSB-IBGZPJMESA-N 1 0 344.503 1.785 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000785429260 580643905 /nfs/dbraw/zinc/64/39/05/580643905.db2.gz XXCMILAOPYRIBI-WBVHZDCISA-N 1 0 344.459 1.112 20 10 EDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000794832634 580906620 /nfs/dbraw/zinc/90/66/20/580906620.db2.gz APMVIMFRMJDZFS-QWHCGFSZSA-N 1 0 328.840 1.835 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN(C)C2=O)[NH+](C)C)cc1 ZINC000891245769 591015282 /nfs/dbraw/zinc/01/52/82/591015282.db2.gz IXNKVAWAPJMIMH-IRXDYDNUSA-N 1 0 346.475 1.340 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCn2ccnn2)[NH+](C)C)cc1 ZINC000891246356 591015375 /nfs/dbraw/zinc/01/53/75/591015375.db2.gz BIXGVRBZWWBAES-MRXNPFEDSA-N 1 0 330.436 1.153 20 10 EDCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000891368509 591064040 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COc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c(O)c1OC ZINC000896008684 591322173 /nfs/dbraw/zinc/32/21/73/591322173.db2.gz MGQXNXBLYYQGDO-GFCCVEGCSA-N 1 0 329.418 1.466 20 10 EDCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000898436649 591351803 /nfs/dbraw/zinc/35/18/03/591351803.db2.gz HDRPDDQIQIXTPJ-WDEREUQCSA-N 1 0 334.397 1.204 20 10 EDCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]1 ZINC000895007270 591525657 /nfs/dbraw/zinc/52/56/57/591525657.db2.gz AUGMRUHTZBFKAE-MRXNPFEDSA-N 1 0 327.432 1.939 20 10 EDCDRO COC(=O)c1c(C[NH2+]CC[C@H]2CNC(=O)C2)c2cc(F)ccc2n1C ZINC000896896913 591661440 /nfs/dbraw/zinc/66/14/40/591661440.db2.gz PBJJVQCQSAWFSF-LLVKDONJSA-N 1 0 347.390 1.720 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@]3(O)C2)[NH+](C)C)cc1 ZINC000899097906 591676176 /nfs/dbraw/zinc/67/61/76/591676176.db2.gz IRLXNSBSWDMUJT-ZVZYQTTQSA-N 1 0 332.448 1.132 20 10 EDCDRO C[C@H](O)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899102142 591682640 /nfs/dbraw/zinc/68/26/40/591682640.db2.gz KHJGUXRAMJUWTI-YXJHDRRASA-N 1 0 348.491 1.768 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2(CO)CCC2)[NH+](C)C)cc1 ZINC000899105525 591684964 /nfs/dbraw/zinc/68/49/64/591684964.db2.gz XTZOYEWDWTYTIH-QGZVFWFLSA-N 1 0 348.491 1.817 20 10 EDCDRO COC(=O)c1c(C[NH2+]CCN2CC[C@@H](O)C2)c2cc(F)ccc2n1C ZINC000895404944 591745796 /nfs/dbraw/zinc/74/57/96/591745796.db2.gz IBFYPNRKVXMXSB-CYBMUJFWSA-N 1 0 349.406 1.260 20 10 EDCDRO COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(OC)c(OC)c1O ZINC000895432915 591754348 /nfs/dbraw/zinc/75/43/48/591754348.db2.gz GFSXMCRPCMKGAF-QGZVFWFLSA-N 1 0 339.388 1.563 20 10 EDCDRO C/C=C/[C@@H](O)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000900014282 591867679 /nfs/dbraw/zinc/86/76/79/591867679.db2.gz HWVBXWUCMCIDBJ-YWPBOTNQSA-N 1 0 347.459 1.261 20 10 EDCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)n1 ZINC000902583352 592019657 /nfs/dbraw/zinc/01/96/57/592019657.db2.gz CEPJPNJYOIIXES-BLLLJJGKSA-N 1 0 345.399 1.964 20 10 EDCDRO [NH3+][C@H](c1cn(Cc2ccc(N3CCOCC3)cc2)nn1)[C@H]1CCCO1 ZINC000900605261 592067480 /nfs/dbraw/zinc/06/74/80/592067480.db2.gz RIDDUBBHPYIMOF-QZTJIDSGSA-N 1 0 343.431 1.342 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCNC(=O)C2)[NH+](C)C)cc1 ZINC000900863642 592150476 /nfs/dbraw/zinc/15/04/76/592150476.db2.gz PQBVMVXPPMLBEL-LPHOPBHVSA-N 1 0 346.475 1.388 20 10 EDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)CCC1 ZINC000905143576 592435636 /nfs/dbraw/zinc/43/56/36/592435636.db2.gz CAGWZUSPIWGZDA-KRWDZBQOSA-N 1 0 338.423 1.152 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734270282 592959620 /nfs/dbraw/zinc/95/96/20/592959620.db2.gz UANBYXNQQBXWGR-MRXNPFEDSA-N 1 0 344.459 1.559 20 10 EDCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000911225212 592969092 /nfs/dbraw/zinc/96/90/92/592969092.db2.gz CUVJIDUOHXRGAF-HOCLYGCPSA-N 1 0 346.475 1.578 20 10 EDCDRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000911228506 592969917 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O=C1NC(=O)C2(CC[NH+](Cc3ccc4ccccc4c3O)CC2)N1 ZINC000816564654 593531982 /nfs/dbraw/zinc/53/19/82/593531982.db2.gz MGMOWZDJTUDFCL-UHFFFAOYSA-N 1 0 325.368 1.719 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000817894585 593646472 /nfs/dbraw/zinc/64/64/72/593646472.db2.gz NCICGVZTVAUJPI-RBUKOAKNSA-N 1 0 331.460 1.380 20 10 EDCDRO CC[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000817919098 593648616 /nfs/dbraw/zinc/64/86/16/593648616.db2.gz PSWILWIXYBPEDO-WBVHZDCISA-N 1 0 346.475 1.297 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817993769 593654479 /nfs/dbraw/zinc/65/44/79/593654479.db2.gz BXPYJOUQOGMUTR-PBHICJAKSA-N 1 0 346.475 1.439 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[NH2+][C@H](C)[C@H]3C)C2)cc1 ZINC000818655456 593710607 /nfs/dbraw/zinc/71/06/07/593710607.db2.gz LXYQPCSAMBRALJ-BZUAXINKSA-N 1 0 346.475 1.913 20 10 EDCDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818973186 593731467 /nfs/dbraw/zinc/73/14/67/593731467.db2.gz NCTHZTOYTNIUIN-KRWDZBQOSA-N 1 0 336.432 1.317 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000819164847 593742180 /nfs/dbraw/zinc/74/21/80/593742180.db2.gz MXDLGRGKHPLFLO-GJZGRUSLSA-N 1 0 329.400 1.783 20 10 EDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](C)S(C)(=O)=O)C2)cc1 ZINC000819379292 593752517 /nfs/dbraw/zinc/75/25/17/593752517.db2.gz FGHOKZXNHHTXSG-UONOGXRCSA-N 1 0 326.462 1.544 20 10 EDCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000823670552 593829610 /nfs/dbraw/zinc/82/96/10/593829610.db2.gz AHZGLSLINYBKLL-UHFFFAOYSA-N 1 0 333.411 1.872 20 10 EDCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000823850403 593872728 /nfs/dbraw/zinc/87/27/28/593872728.db2.gz BPUUBRJKBUTYTM-BBRMVZONSA-N 1 0 340.514 1.763 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000825942899 594287006 /nfs/dbraw/zinc/28/70/06/594287006.db2.gz NWNDTNOFXOEFIH-HNNXBMFYSA-N 1 0 342.447 1.368 20 10 EDCDRO COC(=O)NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000827935001 594306242 /nfs/dbraw/zinc/30/62/42/594306242.db2.gz ROYGGHCPNHJVMD-UHFFFAOYSA-N 1 0 333.432 1.844 20 10 EDCDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]2N1 ZINC000827141568 594646960 /nfs/dbraw/zinc/64/69/60/594646960.db2.gz USNSCMMNNCEUCD-AEFFLSMTSA-N 1 0 329.444 1.624 20 10 EDCDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc2ccccc2c1O ZINC000827158747 594649394 /nfs/dbraw/zinc/64/93/94/594649394.db2.gz UXEDSOFRVOWDGD-UHFFFAOYSA-N 1 0 329.444 1.997 20 10 EDCDRO O=C(COC1CC[NH2+]CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000827320407 594660860 /nfs/dbraw/zinc/66/08/60/594660860.db2.gz IIDXAFJQWYPKLY-UHFFFAOYSA-N 1 0 349.500 1.625 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000827469080 594675028 /nfs/dbraw/zinc/67/50/28/594675028.db2.gz LFCLZCNNUPGSQL-HNNXBMFYSA-N 1 0 344.459 1.134 20 10 EDCDRO Cc1c(Cl)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nn1C ZINC000832266077 594739119 /nfs/dbraw/zinc/73/91/19/594739119.db2.gz CROVFCHDFSZWNP-CYBMUJFWSA-N 1 0 335.839 1.878 20 10 EDCDRO Cc1nn(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000832281606 594740125 /nfs/dbraw/zinc/74/01/25/594740125.db2.gz VAJCAAKTCLOOCW-CYBMUJFWSA-N 1 0 346.391 1.133 20 10 EDCDRO COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832286318 594740396 /nfs/dbraw/zinc/74/03/96/594740396.db2.gz XZTONOCTXVKOIB-BFYDXBDKSA-N 1 0 347.459 1.848 20 10 EDCDRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cc(Br)ccc1O ZINC000840805742 594817391 /nfs/dbraw/zinc/81/73/91/594817391.db2.gz TXVFLIQHUFWNPU-GXSJLCMTSA-N 1 0 341.209 1.458 20 10 EDCDRO Cc1cc(O)c(C[N@H+](CCO)CCN2CCOCC2)c(Cl)c1 ZINC000840911558 594826752 /nfs/dbraw/zinc/82/67/52/594826752.db2.gz HIFDRMQQUBYXAI-UHFFFAOYSA-N 1 0 328.840 1.481 20 10 EDCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1 ZINC000840955137 594833147 /nfs/dbraw/zinc/83/31/47/594833147.db2.gz NJHMCUVFTVXZLF-CQSZACIVSA-N 1 0 332.404 1.811 20 10 EDCDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841002914 594837579 /nfs/dbraw/zinc/83/75/79/594837579.db2.gz IHLVHMUXJWYWFG-UHFFFAOYSA-N 1 0 340.427 1.846 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnc(N3CCCC3)nc2)cc1 ZINC000841044232 594843823 /nfs/dbraw/zinc/84/38/23/594843823.db2.gz UODBEOPKCDQOOS-GOSISDBHSA-N 1 0 340.475 1.932 20 10 EDCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000841718347 594942651 /nfs/dbraw/zinc/94/26/51/594942651.db2.gz QFJOURZWRCOGKX-LBPRGKRZSA-N 1 0 338.427 1.181 20 10 EDCDRO C[C@@H]([NH3+])CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841781858 594951550 /nfs/dbraw/zinc/95/15/50/594951550.db2.gz JLMFLJYHWSWJGX-LLVKDONJSA-N 1 0 342.390 1.903 20 10 EDCDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000841831749 594959370 /nfs/dbraw/zinc/95/93/70/594959370.db2.gz DLHLEPRFQCFRRJ-YOEHRIQHSA-N 1 0 330.432 1.320 20 10 EDCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915654 594981254 /nfs/dbraw/zinc/98/12/54/594981254.db2.gz SPNPKSPMVQSAOG-MNOVXSKESA-N 1 0 342.390 1.336 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[NH2+]C1CC1 ZINC000841930630 594984076 /nfs/dbraw/zinc/98/40/76/594984076.db2.gz VNUGRGYMOUBZAN-UHFFFAOYSA-N 1 0 332.448 1.417 20 10 EDCDRO CCC[NH2+]CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841961659 594990537 /nfs/dbraw/zinc/99/05/37/594990537.db2.gz QWUVVWOMRPFTHG-UHFFFAOYSA-N 1 0 334.464 1.664 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841977850 594994118 /nfs/dbraw/zinc/99/41/18/594994118.db2.gz LBGJULAOWGAZFD-QGZVFWFLSA-N 1 0 346.475 1.807 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000842035414 595006255 /nfs/dbraw/zinc/00/62/55/595006255.db2.gz GSDYAUGJGWXOKR-KRWDZBQOSA-N 1 0 340.427 1.185 20 10 EDCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842094891 595016370 /nfs/dbraw/zinc/01/63/70/595016370.db2.gz XBZNNVHHEUFJBU-QGZVFWFLSA-N 1 0 346.475 1.308 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000842154668 595025113 /nfs/dbraw/zinc/02/51/13/595025113.db2.gz VPTSMLOOEHJIAV-CABCVRRESA-N 1 0 332.448 1.063 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCCOC)cc2=O ZINC000842171979 595028237 /nfs/dbraw/zinc/02/82/37/595028237.db2.gz QZQPBXHUDZJQOC-UHFFFAOYSA-N 1 0 336.392 1.470 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842202543 595037053 /nfs/dbraw/zinc/03/70/53/595037053.db2.gz IYHUKJBHMKJGPZ-MGPQQGTHSA-N 1 0 332.448 1.139 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000842249236 595054774 /nfs/dbraw/zinc/05/47/74/595054774.db2.gz ADSUKXVOBAUVIW-HNNXBMFYSA-N 1 0 335.448 1.620 20 10 EDCDRO COc1cc(N(C)Cc2nc(C(C)(C)[NH3+])no2)cc(OC)c1OC ZINC000843358924 595087206 /nfs/dbraw/zinc/08/72/06/595087206.db2.gz GDVAEZCYBILCGR-UHFFFAOYSA-N 1 0 336.392 1.926 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[NH2+]C1CC1 ZINC000843490457 595128581 /nfs/dbraw/zinc/12/85/81/595128581.db2.gz ZEZHFJHMMUHQSF-UHFFFAOYSA-N 1 0 326.780 1.299 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000843499880 595132342 /nfs/dbraw/zinc/13/23/42/595132342.db2.gz OPJDYRIVTZBKGF-UHFFFAOYSA-N 1 0 346.475 1.489 20 10 EDCDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834803452 595217029 /nfs/dbraw/zinc/21/70/29/595217029.db2.gz UBKXZLNCSPBUAQ-KGLIPLIRSA-N 1 0 339.461 1.240 20 10 EDCDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(O)cc2O)cc1 ZINC000867417028 595221587 /nfs/dbraw/zinc/22/15/87/595221587.db2.gz LHIFHHAMSDYTJL-UHFFFAOYSA-N 1 0 336.413 1.638 20 10 EDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843065566 595278304 /nfs/dbraw/zinc/27/83/04/595278304.db2.gz NQWWLDULMZRXIY-UHFFFAOYSA-N 1 0 340.489 1.420 20 10 EDCDRO C[N@H+](C[C@H](O)CNCc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000843065813 595279195 /nfs/dbraw/zinc/27/91/95/595279195.db2.gz QGEPIWBLETYGBU-HXUWFJFHSA-N 1 0 347.503 1.440 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000846672102 595297733 /nfs/dbraw/zinc/29/77/33/595297733.db2.gz DCHHQFWULSOYTL-OAHLLOKOSA-N 1 0 349.450 1.793 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000844225790 595309833 /nfs/dbraw/zinc/30/98/33/595309833.db2.gz UZVSXFXDUCLFAT-OALUTQOASA-N 1 0 344.503 1.975 20 10 EDCDRO CC[N@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000846814570 595320350 /nfs/dbraw/zinc/32/03/50/595320350.db2.gz RPSNJQJVRWYMMA-HNNXBMFYSA-N 1 0 325.428 1.269 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cc1F ZINC000847557633 595446818 /nfs/dbraw/zinc/44/68/18/595446818.db2.gz UJESHIFFMUAAET-CQSZACIVSA-N 1 0 335.423 1.825 20 10 EDCDRO O=C(NCc1ccc(O)c(O)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000847591029 595453645 /nfs/dbraw/zinc/45/36/45/595453645.db2.gz NIBMWFBVLVWLAG-AWEZNQCLSA-N 1 0 336.457 1.932 20 10 EDCDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccccc2O)cn1 ZINC000849565294 595571137 /nfs/dbraw/zinc/57/11/37/595571137.db2.gz SRUFBSLJEAETOD-CVEARBPZSA-N 1 0 328.416 1.477 20 10 EDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1c(O)cccc1Br)C2 ZINC000858185613 595723529 /nfs/dbraw/zinc/72/35/29/595723529.db2.gz FUGPUWMGOPVPSW-SECBINFHSA-N 1 0 337.221 1.930 20 10 EDCDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000858252288 595743497 /nfs/dbraw/zinc/74/34/97/595743497.db2.gz AWICVTZRYBIJTN-CHWSQXEVSA-N 1 0 328.434 1.351 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@H](CO)c3ccnn3C)CC2)cc1 ZINC000858434444 595794245 /nfs/dbraw/zinc/79/42/45/595794245.db2.gz HAMAKDVGRGZFQR-QGZVFWFLSA-N 1 0 330.432 1.721 20 10 EDCDRO CCn1cncc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850355237 595816966 /nfs/dbraw/zinc/81/69/66/595816966.db2.gz BXHGNSWFZDRGDO-UHFFFAOYSA-N 1 0 348.472 1.428 20 10 EDCDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(Br)cc1O ZINC000858602096 595839771 /nfs/dbraw/zinc/83/97/71/595839771.db2.gz QAKJFEJMGPGCFC-JQWIXIFHSA-N 1 0 329.238 1.872 20 10 EDCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000851690693 595886882 /nfs/dbraw/zinc/88/68/82/595886882.db2.gz ANYGFRNUXPPCCA-AWEZNQCLSA-N 1 0 334.464 1.214 20 10 EDCDRO C[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000861685313 596068155 /nfs/dbraw/zinc/06/81/55/596068155.db2.gz NKAOUNVJJHPZKQ-DOTOQJQBSA-N 1 0 346.475 1.805 20 10 EDCDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CO ZINC000856790702 596083030 /nfs/dbraw/zinc/08/30/30/596083030.db2.gz JXQVDENYAJWJBB-WBVHZDCISA-N 1 0 333.476 1.661 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861766069 596095416 /nfs/dbraw/zinc/09/54/16/596095416.db2.gz LCZSWDHYHOBPRB-DLBZAZTESA-N 1 0 344.459 1.160 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)CC3(C)COC3)CC2)cc1 ZINC000859568286 596134830 /nfs/dbraw/zinc/13/48/30/596134830.db2.gz SYXWQQCNNWLEKQ-UHFFFAOYSA-N 1 0 347.459 1.312 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N(C)CC3C[NH+](C)C3)C2)cc1 ZINC000852450746 596167851 /nfs/dbraw/zinc/16/78/51/596167851.db2.gz UJZHNDBGTSEGCR-OAHLLOKOSA-N 1 0 332.448 1.477 20 10 EDCDRO CC[C@@H]([NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852555122 596197117 /nfs/dbraw/zinc/19/71/17/596197117.db2.gz JRYDXVORMBNBIV-UYAOXDASSA-N 1 0 347.503 1.956 20 10 EDCDRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Cl)ccc1O ZINC000866551972 596246767 /nfs/dbraw/zinc/24/67/67/596246767.db2.gz FAGXLXAVMZHQAG-BDJLRTHQSA-N 1 0 340.807 1.324 20 10 EDCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000862481279 596334768 /nfs/dbraw/zinc/33/47/68/596334768.db2.gz FCWHUTYRZQRKCV-OAHLLOKOSA-N 1 0 338.415 1.761 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000863562230 596619966 /nfs/dbraw/zinc/61/99/66/596619966.db2.gz HXIJQKJVUXWTEP-BGYRXZFFSA-N 1 0 344.503 1.642 20 10 EDCDRO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(C)cc(OC)c3O)C2)C1 ZINC000872709482 597040578 /nfs/dbraw/zinc/04/05/78/597040578.db2.gz OUNLFCHIBKYYNP-KRWDZBQOSA-N 1 0 334.372 1.603 20 10 EDCDRO Cc1cc(C2(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)CC2)on1 ZINC000876507142 597224456 /nfs/dbraw/zinc/22/44/56/597224456.db2.gz WMSWAWSRRWGUHD-OAHLLOKOSA-N 1 0 328.416 1.897 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876712867 597300373 /nfs/dbraw/zinc/30/03/73/597300373.db2.gz DKDBFVLMMMEKLE-SJORKVTESA-N 1 0 331.460 1.855 20 10 EDCDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000876732154 597311227 /nfs/dbraw/zinc/31/12/27/597311227.db2.gz XOUFGSMGVCXYJT-INQOVCNISA-N 1 0 347.434 1.690 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)c3cnc(C[NH3+])nc3)CC2)cc1 ZINC000876732943 597311849 /nfs/dbraw/zinc/31/18/49/597311849.db2.gz KBBOHMNSALFXFA-UHFFFAOYSA-N 1 0 341.415 1.296 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@]3(C)C[C@H](OC)C[NH2+]3)CC2)cc1 ZINC000876732855 597312425 /nfs/dbraw/zinc/31/24/25/597312425.db2.gz HVKNIIBWMCSCEM-HKUYNNGSSA-N 1 0 347.459 1.501 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1 ZINC000876948116 597393273 /nfs/dbraw/zinc/39/32/73/597393273.db2.gz GBASCDVCIORTHU-KBPBESRZSA-N 1 0 327.375 1.430 20 10 EDCDRO O=C(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)NCC(F)(F)F ZINC000876992717 597406533 /nfs/dbraw/zinc/40/65/33/597406533.db2.gz IKTMLXUFKZDMDE-UHFFFAOYSA-N 1 0 345.365 1.416 20 10 EDCDRO C[C@H]([C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCOCC1 ZINC000877025380 597415303 /nfs/dbraw/zinc/41/53/03/597415303.db2.gz JKSFWYMGCMDUPN-DLBZAZTESA-N 1 0 347.503 1.847 20 10 EDCDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877115356 597435692 /nfs/dbraw/zinc/43/56/92/597435692.db2.gz MZJFWEVNKFBCQK-UHFFFAOYSA-N 1 0 333.476 1.900 20 10 EDCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000877489348 597524281 /nfs/dbraw/zinc/52/42/81/597524281.db2.gz MXTOIIDLRUKPOE-RTBURBONSA-N 1 0 334.460 1.931 20 10 EDCDRO Cc1nnc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000877983843 597567927 /nfs/dbraw/zinc/56/79/27/597567927.db2.gz UVZKZLAEUPQBOC-UHFFFAOYSA-N 1 0 346.460 1.920 20 10 EDCDRO Nc1cnccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000882996300 597610667 /nfs/dbraw/zinc/61/06/67/597610667.db2.gz KNBHESRLMBJUNS-UHFFFAOYSA-N 1 0 346.456 1.188 20 10 EDCDRO CC(C)[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000879600087 597652643 /nfs/dbraw/zinc/65/26/43/597652643.db2.gz REYHZNAMMJOKSC-LJQANCHMSA-N 1 0 346.519 1.983 20 10 EDCDRO COCn1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881853535 597756256 /nfs/dbraw/zinc/75/62/56/597756256.db2.gz ZEDQWEMIYWZFHS-UHFFFAOYSA-N 1 0 343.431 1.169 20 10 EDCDRO CCOCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881854168 597756370 /nfs/dbraw/zinc/75/63/70/597756370.db2.gz VPIAHRDRGMXSKU-UHFFFAOYSA-N 1 0 331.460 1.871 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)c(OC)c1 ZINC000879462238 597923747 /nfs/dbraw/zinc/92/37/47/597923747.db2.gz LQOBTCDTDWLPDT-HNNXBMFYSA-N 1 0 347.459 1.742 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]3CC[N@@H+]3C)CC2)cc1 ZINC000916226654 696641969 /nfs/dbraw/zinc/64/19/69/696641969.db2.gz WUJARRJEMHWKHB-MRXNPFEDSA-N 1 0 332.448 1.667 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@H]43)cc2)CC1 ZINC000918906547 697222552 /nfs/dbraw/zinc/22/25/52/697222552.db2.gz PCLYBGIMLVQKJB-KBAYOESNSA-N 1 0 327.428 1.280 20 10 EDCDRO COCC[N@H+]1[C@H](C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C ZINC000181253032 699313173 /nfs/dbraw/zinc/31/31/73/699313173.db2.gz BJQPOOMQPXHRLF-CCSSQEOUSA-N 1 0 334.416 1.679 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cn3nccn3)C2)cc1C ZINC000999266527 706751269 /nfs/dbraw/zinc/75/12/69/706751269.db2.gz GXDGBPHNFWIALJ-MRXNPFEDSA-N 1 0 343.431 1.376 20 10 EDCDRO COc1cc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922826232 704389626 /nfs/dbraw/zinc/38/96/26/704389626.db2.gz WSZOCVQZXWNGSO-GFCCVEGCSA-N 1 0 345.461 1.193 20 10 EDCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945225831 705326325 /nfs/dbraw/zinc/32/63/25/705326325.db2.gz VJNSRRNQTYETNU-WFASDCNBSA-N 1 0 347.419 1.936 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)cc1C ZINC000999072948 706493164 /nfs/dbraw/zinc/49/31/64/706493164.db2.gz NZTRPAWESAQTMB-GJZGRUSLSA-N 1 0 347.415 1.193 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1F ZINC000129310574 529780038 /nfs/dbraw/zinc/78/00/38/529780038.db2.gz FIASXBJCXDMROT-OAHLLOKOSA-N 1 0 325.428 1.017 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000093821112 530055990 /nfs/dbraw/zinc/05/59/90/530055990.db2.gz SELWGAYYRVPPFA-OAHLLOKOSA-N 1 0 337.851 1.784 20 10 EDCDRO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)n1 ZINC000296703764 282713003 /nfs/dbraw/zinc/71/30/03/282713003.db2.gz HUKRJJVEYRKCPG-UONOGXRCSA-N 1 0 326.400 1.898 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 ZINC000372389796 250219832 /nfs/dbraw/zinc/21/98/32/250219832.db2.gz NYTYKCAAEBNMHH-HNAYVOBHSA-N 1 0 341.459 1.795 20 10 EDCDRO CCn1ccnc(N2CCC([NH2+]Cc3cc(F)ccc3O)CC2)c1=O ZINC000375280209 250280691 /nfs/dbraw/zinc/28/06/91/250280691.db2.gz SFDMFHZWAUWRPY-UHFFFAOYSA-N 1 0 346.406 1.867 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000070953034 441129106 /nfs/dbraw/zinc/12/91/06/441129106.db2.gz BTZAOQYXKCJQII-SFHVURJKSA-N 1 0 333.476 1.948 20 10 EDCDRO C[C@@H](O)C1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000078643127 441957515 /nfs/dbraw/zinc/95/75/15/441957515.db2.gz WUSXERQZMMAULB-OAHLLOKOSA-N 1 0 333.476 1.804 20 10 EDCDRO CC[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)[NH+](C)C ZINC000190235287 443074678 /nfs/dbraw/zinc/07/46/78/443074678.db2.gz UJXFNRRGNCGSMP-GOSISDBHSA-N 1 0 346.475 1.312 20 10 EDCDRO CC[C@H](C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000268887358 443137124 /nfs/dbraw/zinc/13/71/24/443137124.db2.gz ZEOXDTYZGWVDTO-GOSISDBHSA-N 1 0 348.491 1.274 20 10 EDCDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000186038369 443301721 /nfs/dbraw/zinc/30/17/21/443301721.db2.gz MEXLSWPUHSKLNW-MRXNPFEDSA-N 1 0 347.507 1.578 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000272504210 443342260 /nfs/dbraw/zinc/34/22/60/443342260.db2.gz TXIWOFGSDKLDQJ-TXTHVTMNSA-N 1 0 346.427 1.728 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1O ZINC000271053483 443488142 /nfs/dbraw/zinc/48/81/42/443488142.db2.gz RGCMZLWHCIWUGK-UHFFFAOYSA-N 1 0 336.432 1.502 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)c1 ZINC000278806248 443447151 /nfs/dbraw/zinc/44/71/51/443447151.db2.gz YFFKURFEBKGYKD-RHSMWYFYSA-N 1 0 339.432 1.637 20 10 EDCDRO CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273361308 443568068 /nfs/dbraw/zinc/56/80/68/443568068.db2.gz DAZBTBVZLHMOMP-AWEZNQCLSA-N 1 0 336.436 1.979 20 10 EDCDRO CCOC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000274668650 443609704 /nfs/dbraw/zinc/60/97/04/443609704.db2.gz RTPLPLXZQNXLCP-MAUKXSAKSA-N 1 0 337.416 1.687 20 10 EDCDRO COc1c([O-])c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000281143129 443829738 /nfs/dbraw/zinc/82/97/38/443829738.db2.gz DYLQCAYJFPITKL-MNOVXSKESA-N 1 0 337.332 1.239 20 10 EDCDRO COc1cc(N2CC[NH+](C[C@H](O)C(C)C)CC2)cc(OC)c1OC ZINC000293036855 443909230 /nfs/dbraw/zinc/90/92/30/443909230.db2.gz WUUWSPMQONDUKI-HNNXBMFYSA-N 1 0 338.448 1.851 20 10 EDCDRO COc1cccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1O ZINC000285643687 444058840 /nfs/dbraw/zinc/05/88/40/444058840.db2.gz ZLQQPRGPFCRDGS-CYBMUJFWSA-N 1 0 334.338 1.754 20 10 EDCDRO C[NH2+]CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000285729070 444088335 /nfs/dbraw/zinc/08/83/35/444088335.db2.gz GKPIXPFIXJAVKW-GFCCVEGCSA-N 1 0 327.375 1.983 20 10 EDCDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000294080577 444101022 /nfs/dbraw/zinc/10/10/22/444101022.db2.gz LXUBFFPHUNZCBS-HUUCEWRRSA-N 1 0 335.423 1.654 20 10 EDCDRO COc1c(O)c(C[NH2+][C@H](C)C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000278300039 444132263 /nfs/dbraw/zinc/13/22/63/444132263.db2.gz CRLLOQSMGBPPFG-SNVBAGLBSA-N 1 0 349.343 1.697 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1C ZINC000289842818 444210222 /nfs/dbraw/zinc/21/02/22/444210222.db2.gz URBQCMQFQSATHH-KDOFPFPSSA-N 1 0 331.416 1.962 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c(O)c1 ZINC000359955045 445502936 /nfs/dbraw/zinc/50/29/36/445502936.db2.gz AQALRGFXVWHXPA-SJORKVTESA-N 1 0 333.476 1.758 20 10 EDCDRO COc1cc(O)c(CN2CCC[N@H+](CC(C)(C)O)CC2)cc1OC ZINC000363987404 445889340 /nfs/dbraw/zinc/88/93/40/445889340.db2.gz RJKMHKZIHMFVQS-UHFFFAOYSA-N 1 0 338.448 1.688 20 10 EDCDRO COc1cc(O)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OC ZINC000362044405 446176004 /nfs/dbraw/zinc/17/60/04/446176004.db2.gz ISPUEWAEGPRJAJ-LSDHHAIUSA-N 1 0 336.432 1.440 20 10 EDCDRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000369839656 446158251 /nfs/dbraw/zinc/15/82/51/446158251.db2.gz GSUQGKDZFFDJIQ-UHFFFAOYSA-N 1 0 342.436 1.968 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418094186 446439057 /nfs/dbraw/zinc/43/90/57/446439057.db2.gz DGPPZFXXCIYRTN-UHFFFAOYSA-N 1 0 343.475 1.581 20 10 EDCDRO COCC[C@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CC[NH2+]C1 ZINC000372099891 447000719 /nfs/dbraw/zinc/00/07/19/447000719.db2.gz ZNYRPSVNPJJZMA-LJQANCHMSA-N 1 0 331.460 1.701 20 10 EDCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[NH2+]CC2)CCCC1 ZINC000653043571 453228973 /nfs/dbraw/zinc/22/89/73/453228973.db2.gz CMCFTFHGYLYGAQ-UHFFFAOYSA-N 1 0 327.428 1.961 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnsn3)cc2F)CC1 ZINC000106702734 529153164 /nfs/dbraw/zinc/15/31/64/529153164.db2.gz ZBTNLSFNEGOGLH-UHFFFAOYSA-N 1 0 349.435 1.749 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000741088758 579397139 /nfs/dbraw/zinc/39/71/39/579397139.db2.gz BQFQTZLZWSELHU-UHFFFAOYSA-N 1 0 334.464 1.317 20 10 EDCDRO COC(=O)CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759885839 580017951 /nfs/dbraw/zinc/01/79/51/580017951.db2.gz IEAXHEKXQHJSCE-UHFFFAOYSA-N 1 0 338.404 1.398 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000727471879 578529458 /nfs/dbraw/zinc/52/94/58/578529458.db2.gz POYUZLVDWNJGIW-IAGOWNOFSA-N 1 0 332.448 1.415 20 10 EDCDRO Cn1cc(/C=C\C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cn1 ZINC000760818705 580038851 /nfs/dbraw/zinc/03/88/51/580038851.db2.gz QLCICAOGAAQUTL-CDNLZTBQSA-N 1 0 326.400 1.789 20 10 EDCDRO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(N(C)C)cc1 ZINC000766143483 580160183 /nfs/dbraw/zinc/16/01/83/580160183.db2.gz DPUUJPPAVSNFQB-MRXNPFEDSA-N 1 0 340.489 1.733 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1)[C@H](O)CO2 ZINC000768446561 580213271 /nfs/dbraw/zinc/21/32/71/580213271.db2.gz KVCNYFRWEFRQGT-CQSZACIVSA-N 1 0 346.349 1.888 20 10 EDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C(N)=O)C1 ZINC000769662543 580242286 /nfs/dbraw/zinc/24/22/86/580242286.db2.gz DTJCKOLDUBWHOI-CYBMUJFWSA-N 1 0 343.427 1.825 20 10 EDCDRO COc1cc(Br)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000770394435 580259386 /nfs/dbraw/zinc/25/93/86/580259386.db2.gz IMCVXCYITAJBOV-QWRGUYRKSA-N 1 0 327.222 1.815 20 10 EDCDRO CC[C@@H]([NH2+]CCc1nnnn1C)c1cc(Br)ccc1O ZINC000775519647 580392828 /nfs/dbraw/zinc/39/28/28/580392828.db2.gz NBFJSZOQUGSRBL-LLVKDONJSA-N 1 0 340.225 1.962 20 10 EDCDRO COCCCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837929 580402284 /nfs/dbraw/zinc/40/22/84/580402284.db2.gz VMYCXAKATMWAGG-AWEZNQCLSA-N 1 0 343.493 1.359 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCOC[C@@H]3c3ncon3)cc2)CC1 ZINC000779622502 580491708 /nfs/dbraw/zinc/49/17/08/580491708.db2.gz BZIDKEBZWYHSHN-QGZVFWFLSA-N 1 0 343.431 1.395 20 10 EDCDRO Cc1cnn(C)c1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000796274799 580949751 /nfs/dbraw/zinc/94/97/51/580949751.db2.gz AUGXJNWXVQPYKE-INIZCTEOSA-N 1 0 341.459 1.720 20 10 EDCDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000800308823 581050152 /nfs/dbraw/zinc/05/01/52/581050152.db2.gz BBJDXOGGXOMSBP-GWCFXTLKSA-N 1 0 332.853 1.853 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000892193829 590858553 /nfs/dbraw/zinc/85/85/53/590858553.db2.gz RORZHBSORSHGTO-KFWWJZLASA-N 1 0 332.448 1.558 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/[C@H]3CCOC3)cc2)CC1 ZINC000893607811 591005465 /nfs/dbraw/zinc/00/54/65/591005465.db2.gz LOLWNYXKOWROGC-PFWMLDTASA-N 1 0 329.444 1.647 20 10 EDCDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891241657 591012895 /nfs/dbraw/zinc/01/28/95/591012895.db2.gz BZSPHRPEQMLBOC-XHSDSOJGSA-N 1 0 333.432 1.281 20 10 EDCDRO CCn1cc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000891244312 591014309 /nfs/dbraw/zinc/01/43/09/591014309.db2.gz ZMEGXGOYGHKIEI-KRWDZBQOSA-N 1 0 344.463 1.326 20 10 EDCDRO CCn1cc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000891244314 591014428 /nfs/dbraw/zinc/01/44/28/591014428.db2.gz ZMEGXGOYGHKIEI-QGZVFWFLSA-N 1 0 344.463 1.326 20 10 EDCDRO CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC000891246176 591015665 /nfs/dbraw/zinc/01/56/65/591015665.db2.gz MXBWKYKLXMWIRL-ZWKOTPCHSA-N 1 0 348.491 1.632 20 10 EDCDRO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000891246208 591015776 /nfs/dbraw/zinc/01/57/76/591015776.db2.gz AEFXXQNNJFSFRI-QGZVFWFLSA-N 1 0 327.432 1.884 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)c2cccnc2)[NH+](C)C)cc1 ZINC000891247853 591017091 /nfs/dbraw/zinc/01/70/91/591017091.db2.gz KWGDLNBSEUHGTI-QZTJIDSGSA-N 1 0 342.443 1.600 20 10 EDCDRO Cc1nnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891247816 591017227 /nfs/dbraw/zinc/01/72/27/591017227.db2.gz KPIDNKVNLYTFBE-AWEZNQCLSA-N 1 0 333.461 1.945 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1O ZINC000893943468 591144754 /nfs/dbraw/zinc/14/47/54/591144754.db2.gz YQCDEGZSSUFSGV-UHFFFAOYSA-N 1 0 336.432 1.420 20 10 EDCDRO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(O)c1OC ZINC000894780272 591415999 /nfs/dbraw/zinc/41/59/99/591415999.db2.gz CQBNCZCIHKSUHP-ZDUSSCGKSA-N 1 0 337.420 1.645 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cncn2C)[NH+](C)C)cc1 ZINC000894912512 591471654 /nfs/dbraw/zinc/47/16/54/591471654.db2.gz DWEYHEDYHKRVRT-KRWDZBQOSA-N 1 0 344.463 1.588 20 10 EDCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(S(C)(=O)=O)C3)C2)cc1 ZINC000895005773 591516143 /nfs/dbraw/zinc/51/61/43/591516143.db2.gz HRXLPTYVCXHMAQ-TUBUQKNSSA-N 1 0 338.473 1.687 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c1O ZINC000896684556 591574447 /nfs/dbraw/zinc/57/44/47/591574447.db2.gz VUZFJUACSVUDOK-HNNXBMFYSA-N 1 0 329.418 1.003 20 10 EDCDRO CNC(=O)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895224133 591664776 /nfs/dbraw/zinc/66/47/76/591664776.db2.gz DIIVDUUETRXUHB-CJNGLKHVSA-N 1 0 349.479 1.179 20 10 EDCDRO CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)NC ZINC000899097488 591678070 /nfs/dbraw/zinc/67/80/70/591678070.db2.gz BGYVIOPOSGBIFB-JKSUJKDBSA-N 1 0 349.479 1.179 20 10 EDCDRO C[C@@H]1C[C@H](O)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899099313 591688963 /nfs/dbraw/zinc/68/89/63/591688963.db2.gz YUOSPTYSVNJDNL-FHLIZLRMSA-N 1 0 348.491 1.768 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)C2CCC2)[NH+](C)C)cc1 ZINC000899099258 591689450 /nfs/dbraw/zinc/68/94/50/591689450.db2.gz XQZPMXHYKLNOFP-QZTJIDSGSA-N 1 0 348.491 1.816 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895331862 591718008 /nfs/dbraw/zinc/71/80/08/591718008.db2.gz RQIYQHWNAAKWHX-SMDDNHRTSA-N 1 0 346.221 1.481 20 10 EDCDRO Cn1cncc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727466916 591723975 /nfs/dbraw/zinc/72/39/75/591723975.db2.gz LAXMFPZYRCKXTP-HNNXBMFYSA-N 1 0 327.432 1.412 20 10 EDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@@H](CO)C1 ZINC000898350916 591884106 /nfs/dbraw/zinc/88/41/06/591884106.db2.gz NCYHBYOOGRQCKY-WBVHZDCISA-N 1 0 335.448 1.600 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1C(C)C ZINC000902525112 592010985 /nfs/dbraw/zinc/01/09/85/592010985.db2.gz WBUUDLNIKOIXSR-CYBMUJFWSA-N 1 0 326.462 1.934 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)cc1 ZINC000900507936 592040502 /nfs/dbraw/zinc/04/05/02/592040502.db2.gz JXIGSNZFMRVKHX-APWZRJJASA-N 1 0 347.459 1.235 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903797396 592326322 /nfs/dbraw/zinc/32/63/22/592326322.db2.gz HFYPWQJADIBBBP-APWZRJJASA-N 1 0 330.476 1.572 20 10 EDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)C2CCC2)[NH+](C)C)cc1 ZINC000908460166 592501164 /nfs/dbraw/zinc/50/11/64/592501164.db2.gz NJMDTAJHHBXLFD-MRXNPFEDSA-N 1 0 325.478 1.827 20 10 EDCDRO CCN(C)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908457553 592507221 /nfs/dbraw/zinc/50/72/21/592507221.db2.gz FTZKFJDPVWOLHC-OAHLLOKOSA-N 1 0 328.482 1.141 20 10 EDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccnc2)[NH+](C)C)cc1 ZINC000908458217 592507752 /nfs/dbraw/zinc/50/77/52/592507752.db2.gz UIQZJIZNXWVQJE-KRWDZBQOSA-N 1 0 348.472 1.729 20 10 EDCDRO C[C@@]1(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)COC(=O)N1 ZINC000905705065 592617506 /nfs/dbraw/zinc/61/75/06/592617506.db2.gz LQRKLOXXYHPTLB-KRWDZBQOSA-N 1 0 334.372 1.831 20 10 EDCDRO Cn1ccnc1[C@@H]1OCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000906519325 592839229 /nfs/dbraw/zinc/83/92/29/592839229.db2.gz YLIRGKKAOKZUPM-MLGOLLRUSA-N 1 0 331.372 1.864 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000838478858 593177539 /nfs/dbraw/zinc/17/75/39/593177539.db2.gz MVMKXTHUSLMDSY-KRWDZBQOSA-N 1 0 348.491 1.707 20 10 EDCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000808216591 593241320 /nfs/dbraw/zinc/24/13/20/593241320.db2.gz BTRCEBOWFZAYGA-CXAGYDPISA-N 1 0 334.416 1.556 20 10 EDCDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000840185501 593361115 /nfs/dbraw/zinc/36/11/15/593361115.db2.gz FWEOIFODHDNRJC-LLVKDONJSA-N 1 0 325.386 1.459 20 10 EDCDRO COc1ccc(N2CCN(CCN[C@@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892589 593645990 /nfs/dbraw/zinc/64/59/90/593645990.db2.gz BFZKJFYYKPOLTJ-FXAWDEMLSA-N 1 0 346.519 1.937 20 10 EDCDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817892091 593646156 /nfs/dbraw/zinc/64/61/56/593646156.db2.gz QNDZIKVTGYHPOB-FHLIZLRMSA-N 1 0 347.459 1.467 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000817920223 593648773 /nfs/dbraw/zinc/64/87/73/593648773.db2.gz FHFHEBPVNBDYOT-MRXNPFEDSA-N 1 0 344.459 1.195 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[NH2+]C[C@H]3CCCO3)C2)cc1 ZINC000818613610 593708053 /nfs/dbraw/zinc/70/80/53/593708053.db2.gz VKYTYUCUZYMIDS-MAUKXSAKSA-N 1 0 347.459 1.406 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000818655031 593710510 /nfs/dbraw/zinc/71/05/10/593710510.db2.gz HRPOQBSFBFQKBL-GJZGRUSLSA-N 1 0 332.448 1.525 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCC3CC3)CC2)cc1 ZINC000819119497 593739942 /nfs/dbraw/zinc/73/99/42/593739942.db2.gz VQSBLIFZCNKCKQ-GOSISDBHSA-N 1 0 333.476 1.568 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CCCN2CCCS2(=O)=O)cc1Cl ZINC000825246687 594154889 /nfs/dbraw/zinc/15/48/89/594154889.db2.gz FDJXGGBBSDKUOU-UHFFFAOYSA-N 1 0 332.853 1.869 20 10 EDCDRO CN1CCCc2cc(CNC(=O)c3cn(CCCC[NH3+])nn3)ccc21 ZINC000827914141 594302409 /nfs/dbraw/zinc/30/24/09/594302409.db2.gz YNKOBAQYXWHRAC-UHFFFAOYSA-N 1 0 342.447 1.329 20 10 EDCDRO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000826995713 594619703 /nfs/dbraw/zinc/61/97/03/594619703.db2.gz ZOLBHHIUAJCQBA-QGZVFWFLSA-N 1 0 331.416 1.550 20 10 EDCDRO C[C@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000827469141 594674936 /nfs/dbraw/zinc/67/49/36/594674936.db2.gz NZQKFZFXONYONU-KXBFYZLASA-N 1 0 344.459 1.004 20 10 EDCDRO Cc1cc(C)n(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832293363 594740740 /nfs/dbraw/zinc/74/07/40/594740740.db2.gz VNDHMMJPCQYOBW-KRWDZBQOSA-N 1 0 329.448 1.772 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@H](C)C3)CC2)cc1 ZINC000832706787 594770692 /nfs/dbraw/zinc/77/06/92/594770692.db2.gz KAVYUPLPBVCTGG-DOTOQJQBSA-N 1 0 347.459 1.047 20 10 EDCDRO C[C@H]1C[C@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2c1c(F)ccc2O ZINC000840896450 594824477 /nfs/dbraw/zinc/82/44/77/594824477.db2.gz JFJSODLLAYSVHP-JQWIXIFHSA-N 1 0 347.394 1.840 20 10 EDCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)CN2CCOCC2)c(Cl)c1 ZINC000840918670 594827890 /nfs/dbraw/zinc/82/78/90/594827890.db2.gz XWOGLIFXKVVVKM-ZDUSSCGKSA-N 1 0 328.840 1.479 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000840948577 594831110 /nfs/dbraw/zinc/83/11/10/594831110.db2.gz FJMYFLJCLIBOLO-SFHVURJKSA-N 1 0 329.448 1.982 20 10 EDCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)ccc1N1CCCCC1 ZINC000840974816 594834509 /nfs/dbraw/zinc/83/45/09/594834509.db2.gz HPJGHVVKBUDZQA-YJBOKZPZSA-N 1 0 349.431 1.760 20 10 EDCDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841016357 594839787 /nfs/dbraw/zinc/83/97/87/594839787.db2.gz SVKUVFHAEAQYJK-UHFFFAOYSA-N 1 0 332.448 1.788 20 10 EDCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841071965 594847584 /nfs/dbraw/zinc/84/75/84/594847584.db2.gz KMQSOVNEKNCLEP-CQSZACIVSA-N 1 0 332.448 1.692 20 10 EDCDRO [NH3+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841713320 594942025 /nfs/dbraw/zinc/94/20/25/594942025.db2.gz YKKFGELYWIYGCT-CQSZACIVSA-N 1 0 336.411 1.295 20 10 EDCDRO CC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC[NH2+]CC1 ZINC000841729468 594944652 /nfs/dbraw/zinc/94/46/52/594944652.db2.gz GUPUSHGABMMRKU-UHFFFAOYSA-N 1 0 346.475 1.712 20 10 EDCDRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000841739733 594945736 /nfs/dbraw/zinc/94/57/36/594945736.db2.gz BOLNTFMHGVNPTA-DYVFJYSZSA-N 1 0 332.448 1.621 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000841760275 594948188 /nfs/dbraw/zinc/94/81/88/594948188.db2.gz JQXFEXDOLXTPEP-HNNXBMFYSA-N 1 0 349.454 1.081 20 10 EDCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000841862778 594967469 /nfs/dbraw/zinc/96/74/69/594967469.db2.gz FPIQVAXZKSJEQO-HNNXBMFYSA-N 1 0 338.473 1.579 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000841958710 594989800 /nfs/dbraw/zinc/98/98/00/594989800.db2.gz IKJRWSPGPQMIKW-QGZVFWFLSA-N 1 0 346.475 1.565 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842152298 595024238 /nfs/dbraw/zinc/02/42/38/595024238.db2.gz GLNUJTIVRHOQBN-GOEBONIOSA-N 1 0 346.475 1.182 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000842154638 595025187 /nfs/dbraw/zinc/02/51/87/595025187.db2.gz VFDDEGDLFSLZOT-UHFFFAOYSA-N 1 0 344.459 1.103 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842203002 595036960 /nfs/dbraw/zinc/03/69/60/595036960.db2.gz NWMKLELVCMXNSR-ZFWWWQNUSA-N 1 0 332.448 1.188 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000842207185 595038602 /nfs/dbraw/zinc/03/86/02/595038602.db2.gz MPVVEAKDIPEOLH-PBHICJAKSA-N 1 0 346.475 1.345 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000842233738 595047183 /nfs/dbraw/zinc/04/71/83/595047183.db2.gz GTZMVESDKBNIMR-UHFFFAOYSA-N 1 0 348.491 1.605 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000842264670 595059916 /nfs/dbraw/zinc/05/99/16/595059916.db2.gz BKNBZRFKBXXPLT-HIFRSBDPSA-N 1 0 333.432 1.245 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000842267284 595061092 /nfs/dbraw/zinc/06/10/92/595061092.db2.gz XKHPJAGXZLXZJH-PBHICJAKSA-N 1 0 346.475 1.215 20 10 EDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCNS(=O)(=O)c1ccccc1 ZINC000843350610 595083707 /nfs/dbraw/zinc/08/37/07/595083707.db2.gz PUXSWFGNALRMDS-UHFFFAOYSA-N 1 0 345.468 1.876 20 10 EDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843446797 595114101 /nfs/dbraw/zinc/11/41/01/595114101.db2.gz RZNGWQLYARTKMU-IMRBUKKESA-N 1 0 339.233 1.969 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@@H](C)[NH3+] ZINC000843489073 595127538 /nfs/dbraw/zinc/12/75/38/595127538.db2.gz CQSWEOLWJATOEJ-SNVBAGLBSA-N 1 0 328.796 1.675 20 10 EDCDRO C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783937 595197717 /nfs/dbraw/zinc/19/77/17/595197717.db2.gz FVPQTTLNKWYESY-BLLLJJGKSA-N 1 0 340.493 1.317 20 10 EDCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000837818211 595204428 /nfs/dbraw/zinc/20/44/28/595204428.db2.gz ZRKFRLIGSWQGHK-KRWDZBQOSA-N 1 0 346.475 1.759 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1F ZINC000846672457 595297523 /nfs/dbraw/zinc/29/75/23/595297523.db2.gz GULAWOLBGHHFEE-KSSFIOAISA-N 1 0 335.423 1.524 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000846697920 595303360 /nfs/dbraw/zinc/30/33/60/595303360.db2.gz YSJWOKSXWOJHJT-KRWDZBQOSA-N 1 0 331.460 1.980 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000844225233 595308918 /nfs/dbraw/zinc/30/89/18/595308918.db2.gz LZGAMMFTECLGMF-SFHVURJKSA-N 1 0 346.475 1.013 20 10 EDCDRO CCN1C[C@@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)OC1=O ZINC000846766987 595313732 /nfs/dbraw/zinc/31/37/32/595313732.db2.gz ZLIRMFIZAZNSHD-QGZVFWFLSA-N 1 0 333.432 1.796 20 10 EDCDRO CC(C)([NH3+])c1nocc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000848410015 595375034 /nfs/dbraw/zinc/37/50/34/595375034.db2.gz GTGFINVVGLMYBT-UHFFFAOYSA-N 1 0 344.415 1.635 20 10 EDCDRO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848415599 595375490 /nfs/dbraw/zinc/37/54/90/595375490.db2.gz VQYYMPIMBVETMX-NWDGAFQWSA-N 1 0 327.375 1.981 20 10 EDCDRO Cn1cnnc1N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000848498062 595396503 /nfs/dbraw/zinc/39/65/03/595396503.db2.gz UFSCLBZLSQABSH-UHFFFAOYSA-N 1 0 327.432 1.722 20 10 EDCDRO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CN(C)CCO1 ZINC000845065777 595436132 /nfs/dbraw/zinc/43/61/32/595436132.db2.gz SISLVOILVFNPRS-YGRLFVJLSA-N 1 0 327.812 1.564 20 10 EDCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCN1C1CCC1 ZINC000858343285 595769683 /nfs/dbraw/zinc/76/96/83/595769683.db2.gz WRLLFDMOVFVVEJ-KRWDZBQOSA-N 1 0 347.434 1.905 20 10 EDCDRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3c(O)ccc4ccncc43)C[C@H]21 ZINC000853570711 595808893 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[NH3+]C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851680856 595882895 /nfs/dbraw/zinc/88/28/95/595882895.db2.gz KVIYXNYEWYLKOL-INIZCTEOSA-N 1 0 346.475 1.528 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)[NH+](C)C)C2)cc1 ZINC000854295935 596024613 /nfs/dbraw/zinc/02/46/13/596024613.db2.gz FCALXDSJXUMYKE-GJZGRUSLSA-N 1 0 334.464 1.913 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC[N@H+](C)CC3)C2)cc1 ZINC000854303564 596028865 /nfs/dbraw/zinc/02/88/65/596028865.db2.gz YAUYHLSIXNVVQN-HNNXBMFYSA-N 1 0 332.448 1.621 20 10 EDCDRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1O ZINC000866520609 596238894 /nfs/dbraw/zinc/23/88/94/596238894.db2.gz HADXDZJTTNBHTI-ZUZCIYMTSA-N 1 0 326.780 1.917 20 10 EDCDRO CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(N(C)C)cc1 ZINC000866552730 596247726 /nfs/dbraw/zinc/24/77/26/596247726.db2.gz BNTGYPSEIOTJBK-HKUYNNGSSA-N 1 0 347.459 1.421 20 10 EDCDRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(Cl)cc1O ZINC000866554872 596248955 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C[NH+](C)Cc1cccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000874103019 596929652 /nfs/dbraw/zinc/92/96/52/596929652.db2.gz XFHRHPGKEJIODG-UHFFFAOYSA-N 1 0 339.395 1.935 20 10 EDCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000873020130 597162722 /nfs/dbraw/zinc/16/27/22/597162722.db2.gz GLJZKBJEPZKCPX-MRXNPFEDSA-N 1 0 338.473 1.580 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1Cn1cccn1 ZINC000873142051 597209337 /nfs/dbraw/zinc/20/93/37/597209337.db2.gz PGGZGRBQXUBSTP-AEFFLSMTSA-N 1 0 331.416 1.570 20 10 EDCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876512342 597225749 /nfs/dbraw/zinc/22/57/49/597225749.db2.gz MDAPLGNIFXJYTN-GOSISDBHSA-N 1 0 345.487 1.996 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000876713945 597300872 /nfs/dbraw/zinc/30/08/72/597300872.db2.gz QUKUKGSJCNNZFR-IBGZPJMESA-N 1 0 347.459 1.237 20 10 EDCDRO C[C@H](NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000876742853 597317263 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EDCDRO O=C1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H]([C@H]2CCCO2)N1 ZINC000922384547 711439141 /nfs/dbraw/zinc/43/91/41/711439141.db2.gz CXSWZGAHLNDMOX-SZVBFZGTSA-N 1 0 330.428 1.927 20 10 EDCDRO C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000101663194 237039235 /nfs/dbraw/zinc/03/92/35/237039235.db2.gz INXADHPKJVQXKU-OAHLLOKOSA-N 1 0 330.476 1.321 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000124460797 237150574 /nfs/dbraw/zinc/15/05/74/237150574.db2.gz ZURVSLRFYBXDFQ-INIZCTEOSA-N 1 0 348.443 1.862 20 10 EDCDRO Cc1cc(O)c(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1C ZINC000368190500 250199597 /nfs/dbraw/zinc/19/95/97/250199597.db2.gz NZQCINWQSOZIBS-UHFFFAOYSA-N 1 0 341.477 1.323 20 10 EDCDRO COc1cccc(C[N@@H+]2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)c1O ZINC000372417992 250218720 /nfs/dbraw/zinc/21/87/20/250218720.db2.gz ZSHDFPLDGXZGKP-DOTOQJQBSA-N 1 0 349.475 1.238 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000368905057 250201811 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COc1ccc(N2CC[NH+](CCCNC(=O)c3ccn[nH]3)CC2)cc1 ZINC000049603822 441359864 /nfs/dbraw/zinc/35/98/64/441359864.db2.gz MQATXPWPFHGOFQ-UHFFFAOYSA-N 1 0 343.431 1.360 20 10 EDCDRO CCO[C@H](C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000120981643 442160401 /nfs/dbraw/zinc/16/04/01/442160401.db2.gz HMYMKCRTUOXAJD-MRXNPFEDSA-N 1 0 349.475 1.749 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121005331 442164030 /nfs/dbraw/zinc/16/40/30/442164030.db2.gz VFDTVRIDTIQBHA-IBGZPJMESA-N 1 0 331.460 1.430 20 10 EDCDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165410874 442209453 /nfs/dbraw/zinc/20/94/53/442209453.db2.gz DRSLUDFMLSGDMC-AWEZNQCLSA-N 1 0 341.452 1.359 20 10 EDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)cc1 ZINC000178668848 442454108 /nfs/dbraw/zinc/45/41/08/442454108.db2.gz PIISNVLSWXDEGV-MRXNPFEDSA-N 1 0 332.492 1.957 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000179719227 442493872 /nfs/dbraw/zinc/49/38/72/442493872.db2.gz 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C[NH2+]C[C@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269266997 443258382 /nfs/dbraw/zinc/25/83/82/443258382.db2.gz ZNEBRZRFPGPLJO-IHRRRGAJSA-N 1 0 337.439 1.911 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCOC3)cc2F)CC1 ZINC000264377030 443269850 /nfs/dbraw/zinc/26/98/50/443269850.db2.gz BEWVUVZBCNOUIW-HNNXBMFYSA-N 1 0 335.423 1.620 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000270206336 443463465 /nfs/dbraw/zinc/46/34/65/443463465.db2.gz XSYLZILRGHMMLW-FUHWJXTLSA-N 1 0 333.476 1.804 20 10 EDCDRO C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CC[NH+](C)CC1 ZINC000273579538 443582469 /nfs/dbraw/zinc/58/24/69/443582469.db2.gz MHTNHQCKURFBFD-KBPBESRZSA-N 1 0 336.436 1.835 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000283589439 443668387 /nfs/dbraw/zinc/66/83/87/443668387.db2.gz TXKMLOYJNVYJGT-AWEZNQCLSA-N 1 0 344.459 1.135 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000286598163 443717673 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CN(C)c1ccc([C@@H](CN=c2ncnc3[nH][nH]cc2-3)[NH+](C)C)cc1 ZINC000897525245 591528420 /nfs/dbraw/zinc/52/84/20/591528420.db2.gz KZAUBUVIERJRGU-OAHLLOKOSA-N 1 0 325.420 1.507 20 10 EDCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000899104554 591684280 /nfs/dbraw/zinc/68/42/80/591684280.db2.gz RKCIVIGGDGWWAW-RHSMWYFYSA-N 1 0 334.464 1.786 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CCCCO)[NH+](C)C)cc1 ZINC000899104699 591684463 /nfs/dbraw/zinc/68/44/63/591684463.db2.gz SKGBRVHZCZVNDN-KRWDZBQOSA-N 1 0 336.480 1.769 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)C2CCC2)[NH+](C)C)cc1 ZINC000899098499 591687922 /nfs/dbraw/zinc/68/79/22/591687922.db2.gz OZYDTDIQRPBPBH-MSOLQXFVSA-N 1 0 348.491 1.816 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+](C)C)cc1 ZINC000899100620 591689769 /nfs/dbraw/zinc/68/97/69/591689769.db2.gz AYXMWDVYGOZTAJ-MJGOQNOKSA-N 1 0 348.491 1.912 20 10 EDCDRO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H]1CO ZINC000899100672 591689868 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CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC000910998923 592905917 /nfs/dbraw/zinc/90/59/17/592905917.db2.gz HDGSWSQZYILHEZ-OAHLLOKOSA-N 1 0 332.448 1.017 20 10 EDCDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccccc3O)C2)CC1 ZINC000734274082 592958903 /nfs/dbraw/zinc/95/89/03/592958903.db2.gz YJJZBSHLKOIPOS-OAHLLOKOSA-N 1 0 332.448 1.360 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)cc1 ZINC000911668509 592974658 /nfs/dbraw/zinc/97/46/58/592974658.db2.gz YOBHLAWZKMVKEG-ZIFCJYIRSA-N 1 0 330.476 1.791 20 10 EDCDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000808172805 593233481 /nfs/dbraw/zinc/23/34/81/593233481.db2.gz WJASIPAXYVBYSJ-OAHLLOKOSA-N 1 0 333.407 1.886 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1 ZINC000839590164 593345704 /nfs/dbraw/zinc/34/57/04/593345704.db2.gz SFECNIBRZBJZTM-UHFFFAOYSA-N 1 0 346.475 1.359 20 10 EDCDRO COc1cc(Cl)cc(CN2CC[NH+](CCCCO)CC2)c1O ZINC000761199365 593412575 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COc1ccc(N2CCC([NH2+]C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000819002679 593733318 /nfs/dbraw/zinc/73/33/18/593733318.db2.gz NEXWTBSUWXKVKR-QGZVFWFLSA-N 1 0 330.432 1.511 20 10 EDCDRO CC/C=C\C[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819344554 593751338 /nfs/dbraw/zinc/75/13/38/593751338.db2.gz JJAQHIPRMZARFG-PYTPGESOSA-N 1 0 333.476 1.734 20 10 EDCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000823850405 593872860 /nfs/dbraw/zinc/87/28/60/593872860.db2.gz BPUUBRJKBUTYTM-CZUORRHYSA-N 1 0 340.514 1.763 20 10 EDCDRO O=S1(=O)C[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000824517468 594029585 /nfs/dbraw/zinc/02/95/85/594029585.db2.gz WAOISNLWOACLLD-LBPRGKRZSA-N 1 0 347.392 1.782 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1OC ZINC000824654370 594051125 /nfs/dbraw/zinc/05/11/25/594051125.db2.gz NPCJFGAWTIIPLM-CFVMTHIKSA-N 1 0 337.416 1.771 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000825279974 594161051 /nfs/dbraw/zinc/16/10/51/594161051.db2.gz VRJHCOGQCBFSMD-GZMMTYOYSA-N 1 0 343.221 1.907 20 10 EDCDRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000827579985 594237610 /nfs/dbraw/zinc/23/76/10/594237610.db2.gz NWIXLIBKNDCHBC-UHFFFAOYSA-N 1 0 329.418 1.466 20 10 EDCDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C1 ZINC000825862987 594264887 /nfs/dbraw/zinc/26/48/87/594264887.db2.gz LCQLUNSVHCDFAW-GFCCVEGCSA-N 1 0 337.395 1.089 20 10 EDCDRO C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000827726200 594265880 /nfs/dbraw/zinc/26/58/80/594265880.db2.gz VDTOHHSZSDJSEE-POZUXBRTSA-N 1 0 329.444 1.700 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000828353348 594399067 /nfs/dbraw/zinc/39/90/67/594399067.db2.gz MMIKMSSUUVYQPP-QGZVFWFLSA-N 1 0 333.432 1.159 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CC34CC[NH2+]CC4)C2)cc1 ZINC000831193579 594578792 /nfs/dbraw/zinc/57/87/92/594578792.db2.gz NJOWHZWPBKYRKA-PBHICJAKSA-N 1 0 344.459 1.715 20 10 EDCDRO COc1c(O)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000827000056 594620819 /nfs/dbraw/zinc/62/08/19/594620819.db2.gz GYYANHFNEQHUSD-NSHDSACASA-N 1 0 337.332 1.336 20 10 EDCDRO COC(=O)N[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000832272710 594739472 /nfs/dbraw/zinc/73/94/72/594739472.db2.gz JHMGKBMQUZNNHU-CABCVRRESA-N 1 0 336.436 1.249 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCNC(=O)C(C)(C)C)cc1 ZINC000832280315 594739871 /nfs/dbraw/zinc/73/98/71/594739871.db2.gz OTUUYLPJYQQIAL-INIZCTEOSA-N 1 0 348.491 1.811 20 10 EDCDRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Br)cc1O ZINC000840804536 594817370 /nfs/dbraw/zinc/81/73/70/594817370.db2.gz GTPOAHQIPVJCNM-GXSJLCMTSA-N 1 0 341.209 1.458 20 10 EDCDRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841019394 594840181 /nfs/dbraw/zinc/84/01/81/594840181.db2.gz JVFABPSFRSBJGU-UHFFFAOYSA-N 1 0 332.448 1.788 20 10 EDCDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000841134747 594856988 /nfs/dbraw/zinc/85/69/88/594856988.db2.gz VNKHORFOYJOAIP-CYBMUJFWSA-N 1 0 330.432 1.540 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCC[NH2+]C1 ZINC000841707103 594940874 /nfs/dbraw/zinc/94/08/74/594940874.db2.gz NLSCMRLLUUTKCB-HNNXBMFYSA-N 1 0 334.489 1.791 20 10 EDCDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000841729082 594944710 /nfs/dbraw/zinc/94/47/10/594944710.db2.gz AZELYAWPQPVGMF-RDJZCZTQSA-N 1 0 346.475 1.792 20 10 EDCDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841740854 594946018 /nfs/dbraw/zinc/94/60/18/594946018.db2.gz KQGOKBRNSFQLAO-WMLDXEAASA-N 1 0 334.464 1.867 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841779274 594951196 /nfs/dbraw/zinc/95/11/96/594951196.db2.gz PLHAHPNDDZCSMG-QGZVFWFLSA-N 1 0 332.448 1.701 20 10 EDCDRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841959926 594990021 /nfs/dbraw/zinc/99/00/21/594990021.db2.gz RZEXKGZXFDFUCO-UHFFFAOYSA-N 1 0 347.507 1.527 20 10 EDCDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841975446 594993339 /nfs/dbraw/zinc/99/33/39/594993339.db2.gz GEXHUYZWTFZIFX-MAUKXSAKSA-N 1 0 346.475 1.663 20 10 EDCDRO O=C(NCc1ccccc1O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000841997219 594998093 /nfs/dbraw/zinc/99/80/93/594998093.db2.gz MVYUKBPGOOLPHV-UHFFFAOYSA-N 1 0 332.448 1.408 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000842070009 595012896 /nfs/dbraw/zinc/01/28/96/595012896.db2.gz JUIJETFIRWSYPO-HOCLYGCPSA-N 1 0 346.475 1.058 20 10 EDCDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170098 595028372 /nfs/dbraw/zinc/02/83/72/595028372.db2.gz BFVGFCBDNYHGIC-UHFFFAOYSA-N 1 0 344.459 1.122 20 10 EDCDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203712 595037705 /nfs/dbraw/zinc/03/77/05/595037705.db2.gz WMBKPTGPSNGYQM-LSDHHAIUSA-N 1 0 346.475 1.388 20 10 EDCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000842225053 595044184 /nfs/dbraw/zinc/04/41/84/595044184.db2.gz GPPNNSOOVOMBGZ-WBVHZDCISA-N 1 0 326.412 1.274 20 10 EDCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842243563 595052551 /nfs/dbraw/zinc/05/25/51/595052551.db2.gz ZMXXVJJLDGDUPG-SJORKVTESA-N 1 0 344.459 1.013 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000842247933 595053838 /nfs/dbraw/zinc/05/38/38/595053838.db2.gz HOUBIVFULJBMMR-AWEZNQCLSA-N 1 0 334.464 1.202 20 10 EDCDRO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350944 595083683 /nfs/dbraw/zinc/08/36/83/595083683.db2.gz YKIGUGODUQJXFE-CZUORRHYSA-N 1 0 344.459 1.010 20 10 EDCDRO COc1ccccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784881 595197286 /nfs/dbraw/zinc/19/72/86/595197286.db2.gz BTMGJTOYVSLPIX-OAHLLOKOSA-N 1 0 349.456 1.740 20 10 EDCDRO C[N@H+](C[C@@H](O)CNCc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000843065811 595279296 /nfs/dbraw/zinc/27/92/96/595279296.db2.gz QGEPIWBLETYGBU-FQEVSTJZSA-N 1 0 347.503 1.440 20 10 EDCDRO COc1cccc(NCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000846663936 595295432 /nfs/dbraw/zinc/29/54/32/595295432.db2.gz SICFLGRSEZUZGY-SFHVURJKSA-N 1 0 342.443 1.989 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)c2csc(CC[NH3+])n2)cc1 ZINC000846697995 595303462 /nfs/dbraw/zinc/30/34/62/595303462.db2.gz ZWYWMUACQBTVHY-UHFFFAOYSA-N 1 0 348.472 1.861 20 10 EDCDRO O=C1O[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000848578266 595407215 /nfs/dbraw/zinc/40/72/15/595407215.db2.gz PTYTVEXMLBTQNJ-QGZVFWFLSA-N 1 0 331.416 1.596 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848633368 595419959 /nfs/dbraw/zinc/41/99/59/595419959.db2.gz KUJFYPFSIJLRAZ-FZNQNYSPSA-N 1 0 347.459 1.587 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cc(C3CC3)no2)cc1 ZINC000852791283 595544712 /nfs/dbraw/zinc/54/47/12/595544712.db2.gz FWOZVSNTMBAKQM-MRXNPFEDSA-N 1 0 328.416 1.977 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2cc(C3CC3)cn2)cc1 ZINC000852792696 595544788 /nfs/dbraw/zinc/54/47/88/595544788.db2.gz ZUBPGJHBHSCHAJ-KRWDZBQOSA-N 1 0 327.432 1.643 20 10 EDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000852793214 595545506 /nfs/dbraw/zinc/54/55/06/595545506.db2.gz UQAPXZFGCZSIKJ-ZBFHGGJFSA-N 1 0 332.448 1.003 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852866996 595586995 /nfs/dbraw/zinc/58/69/95/595586995.db2.gz OYBMVRSBEIRDLS-QZTJIDSGSA-N 1 0 331.460 1.903 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000860193865 595608684 /nfs/dbraw/zinc/60/86/84/595608684.db2.gz PVOLORNQMSCHPE-MRXNPFEDSA-N 1 0 339.505 1.822 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000855234150 595638440 /nfs/dbraw/zinc/63/84/40/595638440.db2.gz TXOPVGCBVUYCPA-CVEARBPZSA-N 1 0 347.459 1.358 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000858127786 595706739 /nfs/dbraw/zinc/70/67/39/595706739.db2.gz PZNOQEIBEULCCO-GASCZTMLSA-N 1 0 335.448 1.999 20 10 EDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851665108 595875276 /nfs/dbraw/zinc/87/52/76/595875276.db2.gz QVHXHBPAJHMPTJ-INIZCTEOSA-N 1 0 348.491 1.820 20 10 EDCDRO COc1cccc(O)c1C[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534263 596013055 /nfs/dbraw/zinc/01/30/55/596013055.db2.gz HWAKKQVNQLOXHE-LSDHHAIUSA-N 1 0 341.411 1.751 20 10 EDCDRO C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861556501 596029290 /nfs/dbraw/zinc/02/92/90/596029290.db2.gz CODDCIXBFLZOPJ-UHFFFAOYSA-N 1 0 334.464 1.664 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000861690804 596069811 /nfs/dbraw/zinc/06/98/11/596069811.db2.gz ULSIZVQTMIGXEO-GJZGRUSLSA-N 1 0 334.464 1.913 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861792942 596104960 /nfs/dbraw/zinc/10/49/60/596104960.db2.gz VFTAOMBPJLRVGL-MRXNPFEDSA-N 1 0 345.443 1.532 20 10 EDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c(O)c1 ZINC000866551520 596246894 /nfs/dbraw/zinc/24/68/94/596246894.db2.gz APXQEPCHZGBLBR-KBXCAEBGSA-N 1 0 334.416 1.287 20 10 EDCDRO CN(C)c1cc(F)c(CN2CC[NH+](CCCCO)CC2)cc1F ZINC000862242947 596285389 /nfs/dbraw/zinc/28/53/89/596285389.db2.gz UYSXJTQIEYDNAR-UHFFFAOYSA-N 1 0 327.419 1.921 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000862551004 596344813 /nfs/dbraw/zinc/34/48/13/596344813.db2.gz JCZNFCZUXWSYDL-LLVKDONJSA-N 1 0 332.853 1.807 20 10 EDCDRO O=C(CC[NH2+]CC1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000870869462 596384331 /nfs/dbraw/zinc/38/43/31/596384331.db2.gz SYKRPUWZWMQTBV-UHFFFAOYSA-N 1 0 349.450 1.793 20 10 EDCDRO C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(N2CCOCC2)cc1 ZINC000870874600 596385906 /nfs/dbraw/zinc/38/59/06/596385906.db2.gz PTFCHMYZHIXXBT-RGPZOAQRSA-N 1 0 329.444 1.828 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000862760122 596406347 /nfs/dbraw/zinc/40/63/47/596406347.db2.gz MTYNTNDPSKBZGQ-HXUWFJFHSA-N 1 0 340.423 1.954 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000863941803 596722612 /nfs/dbraw/zinc/72/26/12/596722612.db2.gz MHVMKSUWWHJTJZ-LJQANCHMSA-N 1 0 344.503 1.880 20 10 EDCDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000872254970 596855827 /nfs/dbraw/zinc/85/58/27/596855827.db2.gz HEEUSICSAUYDOF-ZBINZKHDSA-N 1 0 337.807 1.413 20 10 EDCDRO Cc1n[nH]c(C)c1CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507240 597224342 /nfs/dbraw/zinc/22/43/42/597224342.db2.gz YVESMDNUGTYRQY-QGZVFWFLSA-N 1 0 329.448 1.841 20 10 EDCDRO CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506257 597224484 /nfs/dbraw/zinc/22/44/84/597224484.db2.gz HTPFNBHKWKODSS-HOTGVXAUSA-N 1 0 332.448 1.268 20 10 EDCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000876568797 597244174 /nfs/dbraw/zinc/24/41/74/597244174.db2.gz SAELFKIBPHQLGS-UHFFFAOYSA-N 1 0 331.460 1.831 20 10 EDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000876780137 597337883 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C[NH+]1CCN(c2ccc(CNC(=O)c3n[nH]c4c3CCC4)cc2)CC1 ZINC000881849791 597753331 /nfs/dbraw/zinc/75/33/31/597753331.db2.gz JOOLLQLWZUAHDO-UHFFFAOYSA-N 1 0 339.443 1.580 20 10 EDCDRO Cc1n[nH]c(C)c1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850605 597753798 /nfs/dbraw/zinc/75/37/98/597753798.db2.gz ZLGJCOGGKTVDPK-UHFFFAOYSA-N 1 0 341.459 1.637 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3SCCS3)cc2)CC1 ZINC000881852029 597754324 /nfs/dbraw/zinc/75/43/24/597754324.db2.gz GPXVDQQQXDEUAA-UHFFFAOYSA-N 1 0 337.514 1.861 20 10 EDCDRO CCOC(=O)[C@@H](CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852929 597755436 /nfs/dbraw/zinc/75/54/36/597755436.db2.gz GQKOWMQCBOVEDT-KRWDZBQOSA-N 1 0 347.459 1.644 20 10 EDCDRO CC(=O)c1cc(F)cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1O ZINC000879158175 597835758 /nfs/dbraw/zinc/83/57/58/597835758.db2.gz OGFUTPSMTKSOGH-IAGOWNOFSA-N 1 0 334.347 1.219 20 10 EDCDRO Cc1nccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000879196151 597846428 /nfs/dbraw/zinc/84/64/28/597846428.db2.gz 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348.447 1.442 20 10 EDCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000159435798 441813713 /nfs/dbraw/zinc/81/37/13/441813713.db2.gz KZFHPPZKTSCMTB-CQSZACIVSA-N 1 0 342.461 1.695 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000077781495 441859980 /nfs/dbraw/zinc/85/99/80/441859980.db2.gz CEKMOYJLWUSMTC-UHFFFAOYSA-N 1 0 348.491 1.789 20 10 EDCDRO COc1ccc(N2CCN(CC(=O)NCc3ccco3)CC2)cc1F ZINC000122017915 441828686 /nfs/dbraw/zinc/82/86/86/441828686.db2.gz LZVTZUIGMSZZHW-UHFFFAOYSA-N 1 0 347.390 1.866 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000160473887 441886788 /nfs/dbraw/zinc/88/67/88/441886788.db2.gz NWOAZFWHULIAJS-CYBMUJFWSA-N 1 0 332.404 1.913 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000269280835 443265200 /nfs/dbraw/zinc/26/52/00/443265200.db2.gz FEGOUCDVQQFKLT-SFHVURJKSA-N 1 0 346.475 1.076 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)C[C@H](O)C(C)C)CC2)cc1 ZINC000269688589 443397108 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1.888 20 10 EDCDRO O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000275604487 443633346 /nfs/dbraw/zinc/63/33/46/443633346.db2.gz QOKOTIVSZCMHFF-OAHLLOKOSA-N 1 0 326.400 1.876 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000283666009 443685940 /nfs/dbraw/zinc/68/59/40/443685940.db2.gz YNDHOVCFIDQILQ-UHFFFAOYSA-N 1 0 344.459 1.112 20 10 EDCDRO CC[C@@H](C)[N@H+](CCO)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000286728427 443722356 /nfs/dbraw/zinc/72/23/56/443722356.db2.gz BLCYHDWHUJCXNA-MRXNPFEDSA-N 1 0 349.475 1.437 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c(C(F)(F)F)c1 ZINC000280624755 443739081 /nfs/dbraw/zinc/73/90/81/443739081.db2.gz PUXVSCGDZYPXEE-LLVKDONJSA-N 1 0 344.337 1.491 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)c1 ZINC000284563361 443779829 /nfs/dbraw/zinc/77/98/29/443779829.db2.gz MJJUOJNDHTZDNX-HOTGVXAUSA-N 1 0 334.416 1.613 20 10 EDCDRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000281073440 443810931 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EDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CCN2C ZINC000363774929 445875276 /nfs/dbraw/zinc/87/52/76/445875276.db2.gz CGRVLRSAANPIRY-QGZVFWFLSA-N 1 0 346.475 1.589 20 10 EDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)c1O ZINC000364697308 445946371 /nfs/dbraw/zinc/94/63/71/445946371.db2.gz OHRQONMNHGYQPS-PBHICJAKSA-N 1 0 344.415 1.634 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1OC ZINC000365196040 446074594 /nfs/dbraw/zinc/07/45/94/446074594.db2.gz JECTWHUUIGQERV-UHFFFAOYSA-N 1 0 334.416 1.854 20 10 EDCDRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(C)ccc2O)C1 ZINC000092964741 528055384 /nfs/dbraw/zinc/05/53/84/528055384.db2.gz LVKXUXSLZRBCFY-HNNXBMFYSA-N 1 0 348.443 1.934 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000729919766 578599176 /nfs/dbraw/zinc/59/91/76/578599176.db2.gz CPZHHLXSSUXLSU-SFHVURJKSA-N 1 0 341.459 1.902 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](CCO)CC1 ZINC000732466151 578714083 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CCOc1ccc(O)c(C[NH+]2CCC(OCCC(=O)NC)CC2)c1 ZINC000770286673 580257341 /nfs/dbraw/zinc/25/73/41/580257341.db2.gz PNDSSTXBWOGUPQ-UHFFFAOYSA-N 1 0 336.432 1.908 20 10 EDCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000770677481 580267395 /nfs/dbraw/zinc/26/73/95/580267395.db2.gz OHFCVNFUEHMSAU-ZDUSSCGKSA-N 1 0 335.429 1.454 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CN(C)CCO3)CC2)cc1 ZINC000773070109 580326361 /nfs/dbraw/zinc/32/63/61/580326361.db2.gz FUONQDWDCKOKJL-DNVCBOLYSA-N 1 0 333.476 1.973 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccnn1C ZINC000774187688 580356265 /nfs/dbraw/zinc/35/62/65/580356265.db2.gz QBPAWSZPYCGIKN-AWEZNQCLSA-N 1 0 348.472 1.506 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)NC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000775259874 580387057 /nfs/dbraw/zinc/38/70/57/580387057.db2.gz ZZZHXWPXFUCVAJ-OAHLLOKOSA-N 1 0 347.459 1.469 20 10 EDCDRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775374713 580389522 /nfs/dbraw/zinc/38/95/22/580389522.db2.gz DDPAIJNSSWTTTQ-LBPRGKRZSA-N 1 0 331.434 1.503 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2C(=O)NC(C)(C)C2=O)c1 ZINC000775372698 580389554 /nfs/dbraw/zinc/38/95/54/580389554.db2.gz GIFXNTUSNVREPU-LLVKDONJSA-N 1 0 335.404 1.772 20 10 EDCDRO CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccccc1O ZINC000775497700 580392452 /nfs/dbraw/zinc/39/24/52/580392452.db2.gz CGSFPOUPZKNQLJ-HNNXBMFYSA-N 1 0 341.477 1.010 20 10 EDCDRO CCOC(=O)CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775656842 580396342 /nfs/dbraw/zinc/39/63/42/580396342.db2.gz NYJYCXIVQVIFER-UHFFFAOYSA-N 1 0 331.460 1.966 20 10 EDCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000775700154 580397712 /nfs/dbraw/zinc/39/77/12/580397712.db2.gz CLZRBMUSNHFWIF-LBPRGKRZSA-N 1 0 332.322 1.996 20 10 EDCDRO CCOc1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c(O)c1 ZINC000776229755 580412093 /nfs/dbraw/zinc/41/20/93/580412093.db2.gz CTWLWEUQKGHPJJ-INIZCTEOSA-N 1 0 334.416 1.660 20 10 EDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000776485841 580418391 /nfs/dbraw/zinc/41/83/91/580418391.db2.gz ATYWRLDJBVSVPS-ROUUACIJSA-N 1 0 349.475 1.495 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000782530847 580576953 /nfs/dbraw/zinc/57/69/53/580576953.db2.gz YRRJQFVDJHJOTH-GOSISDBHSA-N 1 0 349.475 1.088 20 10 EDCDRO COC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000787328376 580693203 /nfs/dbraw/zinc/69/32/03/580693203.db2.gz ROQZRCSYOXTTIQ-XJKSGUPXSA-N 1 0 333.432 1.252 20 10 EDCDRO CN(CC[NH2+]Cc1ccccc1O)S(=O)(=O)c1ccc(F)cc1 ZINC000797879390 580982999 /nfs/dbraw/zinc/98/29/99/580982999.db2.gz KIGGUJIWYLOAAY-UHFFFAOYSA-N 1 0 338.404 1.942 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cn(C)cn2)[NH+](C)C)cc1 ZINC000891241251 591012985 /nfs/dbraw/zinc/01/29/85/591012985.db2.gz AAERWKWAIRCUFX-IBWPDUFMSA-N 1 0 341.459 1.918 20 10 EDCDRO CCN1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1=O ZINC000891251222 591020096 /nfs/dbraw/zinc/02/00/96/591020096.db2.gz AZELTADHRZUEOP-WBVHZDCISA-N 1 0 346.475 1.340 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891369006 591064493 /nfs/dbraw/zinc/06/44/93/591064493.db2.gz JRQTXYNSGOFPMM-HOCLYGCPSA-N 1 0 332.473 1.496 20 10 EDCDRO COc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(O)c1OC ZINC000891746298 591207734 /nfs/dbraw/zinc/20/77/34/591207734.db2.gz SJNVWJLNEWEGMA-ZDUSSCGKSA-N 1 0 335.404 1.399 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000894310284 591274174 /nfs/dbraw/zinc/27/41/74/591274174.db2.gz QULZPPVUWWJPHR-CQSZACIVSA-N 1 0 344.415 1.728 20 10 EDCDRO COc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)c1OC ZINC000894407330 591303685 /nfs/dbraw/zinc/30/36/85/591303685.db2.gz MHUCREZBCDFQHA-HIFRSBDPSA-N 1 0 336.432 1.704 20 10 EDCDRO CC1(C)OC[C@H](C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)O1 ZINC000896053926 591333662 /nfs/dbraw/zinc/33/36/62/591333662.db2.gz MLHPXFZSRIHGID-KRWDZBQOSA-N 1 0 347.459 1.629 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCC2(O)CCC2)[NH+](C)C)cc1 ZINC000894702578 591392015 /nfs/dbraw/zinc/39/20/15/591392015.db2.gz IXRAQVCRPAPFIE-KRWDZBQOSA-N 1 0 348.491 1.960 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c1O ZINC000896684557 591574229 /nfs/dbraw/zinc/57/42/29/591574229.db2.gz VUZFJUACSVUDOK-OAHLLOKOSA-N 1 0 329.418 1.003 20 10 EDCDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1CS(N)(=O)=O ZINC000897608009 591581092 /nfs/dbraw/zinc/58/10/92/591581092.db2.gz UVLKYMIOQDMLJC-SBAHZNLJSA-N 1 0 337.489 1.622 20 10 EDCDRO C[N@@H+]1C[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@]2(C)C1 ZINC000896914373 591678628 /nfs/dbraw/zinc/67/86/28/591678628.db2.gz CGDKTOGKZVSGRP-HWPZZCPQSA-N 1 0 332.360 1.314 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC3(C2)CCCO3)[NH+](C)C)cc1 ZINC000899098024 591688107 /nfs/dbraw/zinc/68/81/07/591688107.db2.gz KNMBWRQZDLMXKY-QGZVFWFLSA-N 1 0 346.475 1.930 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC=C[C@H]2CO)[NH+](C)C)cc1 ZINC000899098519 591688337 /nfs/dbraw/zinc/68/83/37/591688337.db2.gz PFICVWFTMSQWBH-IRXDYDNUSA-N 1 0 332.448 1.298 20 10 EDCDRO CCOc1cccc(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)c1O ZINC000895266857 591689215 /nfs/dbraw/zinc/68/92/15/591689215.db2.gz OEYYJFRKYBBTND-UHFFFAOYSA-N 1 0 331.420 1.535 20 10 EDCDRO CCOc1cccc(C[NH+]2CC(c3cc(C(=O)OC)n[nH]3)C2)c1O ZINC000898005238 591743370 /nfs/dbraw/zinc/74/33/70/591743370.db2.gz XMCBCJSNEFGQHP-UHFFFAOYSA-N 1 0 331.372 1.900 20 10 EDCDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1S(C)(=O)=O ZINC000895509361 591785007 /nfs/dbraw/zinc/78/50/07/591785007.db2.gz RQGACBJKFMXOHL-GOEBONIOSA-N 1 0 341.429 1.070 20 10 EDCDRO COc1cccc(C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)c1O ZINC000895553630 591799641 /nfs/dbraw/zinc/79/96/41/591799641.db2.gz ICDHNVCUPMXXTG-UHFFFAOYSA-N 1 0 347.459 1.707 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898158824 591807561 /nfs/dbraw/zinc/80/75/61/591807561.db2.gz GCYWXSAEQBYSKH-CYBMUJFWSA-N 1 0 330.388 1.655 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)cc1 ZINC000900294901 591978084 /nfs/dbraw/zinc/97/80/84/591978084.db2.gz NWTKYBPECQNWQT-QFBILLFUSA-N 1 0 347.459 1.189 20 10 EDCDRO CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000903368286 592161267 /nfs/dbraw/zinc/16/12/67/592161267.db2.gz MPQZFIYPJDGHSZ-IRXDYDNUSA-N 1 0 340.489 1.997 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905291579 592486057 /nfs/dbraw/zinc/48/60/57/592486057.db2.gz NIODLFVEQDJPCA-MAUKXSAKSA-N 1 0 336.476 1.484 20 10 EDCDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910944926 592905411 /nfs/dbraw/zinc/90/54/11/592905411.db2.gz PQEAHPOITYOAIM-UHFFFAOYSA-N 1 0 335.448 1.520 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000910994698 592908430 /nfs/dbraw/zinc/90/84/30/592908430.db2.gz XSACZQBBEKYPHF-LJQANCHMSA-N 1 0 344.459 1.113 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911535266 592936901 /nfs/dbraw/zinc/93/69/01/592936901.db2.gz FEYYMAHGBXXHJF-USXIJHARSA-N 1 0 344.459 1.110 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)C2CN(C)CC[N@H+](C)C2)cc1 ZINC000911892762 593031987 /nfs/dbraw/zinc/03/19/87/593031987.db2.gz NOJITBZGQCQZJK-UHFFFAOYSA-N 1 0 348.491 1.083 20 10 EDCDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000795689517 593190475 /nfs/dbraw/zinc/19/04/75/593190475.db2.gz HWZQLLXIBMLKKS-HACGYAERSA-N 1 0 334.416 1.113 20 10 EDCDRO Cc1cc(C[N@H+](CCO)CCOCCO)ccc1N1CCCCC1 ZINC000839194014 593273566 /nfs/dbraw/zinc/27/35/66/593273566.db2.gz AZBPQLMPMKCUKN-UHFFFAOYSA-N 1 0 336.476 1.789 20 10 EDCDRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839543057 593337423 /nfs/dbraw/zinc/33/74/23/593337423.db2.gz XEXMLJXZIXLRLB-ZDUSSCGKSA-N 1 0 334.420 1.020 20 10 EDCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000812775172 593509097 /nfs/dbraw/zinc/50/90/97/593509097.db2.gz IBWDGSOORYAJMR-HNNXBMFYSA-N 1 0 326.387 1.973 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817828650 593637934 /nfs/dbraw/zinc/63/79/34/593637934.db2.gz LHAGPLVEIYIPLP-KRWDZBQOSA-N 1 0 346.475 1.230 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000817919437 593648702 /nfs/dbraw/zinc/64/87/02/593648702.db2.gz SMTRAGAYSXNRQQ-HOCLYGCPSA-N 1 0 346.475 1.297 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000817949784 593651370 /nfs/dbraw/zinc/65/13/70/593651370.db2.gz NCKFBLPQWQWHSA-CABCVRRESA-N 1 0 347.459 1.717 20 10 EDCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3C[NH2+]CCO3)c2C)cc1 ZINC000818008047 593656773 /nfs/dbraw/zinc/65/67/73/593656773.db2.gz OAQBKVYMHOLVPV-KRWDZBQOSA-N 1 0 343.427 1.821 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000818964687 593730647 /nfs/dbraw/zinc/73/06/47/593730647.db2.gz DEOZBDRHKCBIDL-QGZVFWFLSA-N 1 0 347.419 1.788 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3CC=CCC3)CC2)cc1 ZINC000819087588 593738197 /nfs/dbraw/zinc/73/81/97/593738197.db2.gz LUYIBFSRZMROFK-MJGOQNOKSA-N 1 0 345.487 1.876 20 10 EDCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000823850406 593872732 /nfs/dbraw/zinc/87/27/32/593872732.db2.gz BPUUBRJKBUTYTM-XJKSGUPXSA-N 1 0 340.514 1.763 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](C)C[C@@H]1CC)cc2=O ZINC000821336580 594021293 /nfs/dbraw/zinc/02/12/93/594021293.db2.gz DTCROCIBUIAYNS-ZDUSSCGKSA-N 1 0 347.419 1.138 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c(OC)c1 ZINC000825213909 594149919 /nfs/dbraw/zinc/14/99/19/594149919.db2.gz LCHPZNWVQGBDSK-HNNXBMFYSA-N 1 0 347.459 1.694 20 10 EDCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469281 594674998 /nfs/dbraw/zinc/67/49/98/594674998.db2.gz TUBJVWDYHGOGPP-BEFAXECRSA-N 1 0 346.475 1.522 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CNC(=O)c2ccccc2)cc1 ZINC000832292532 594740634 /nfs/dbraw/zinc/74/06/34/594740634.db2.gz IJPHWANFLDTYJO-QGZVFWFLSA-N 1 0 340.427 1.299 20 10 EDCDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841007496 594838153 /nfs/dbraw/zinc/83/81/53/594838153.db2.gz PATUDTWQXXSNJH-UHFFFAOYSA-N 1 0 332.448 1.978 20 10 EDCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000841718970 594943172 /nfs/dbraw/zinc/94/31/72/594943172.db2.gz XGIWQLQZBYUEMF-RWMBFGLXSA-N 1 0 338.427 1.586 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000841729370 594944470 /nfs/dbraw/zinc/94/44/70/594944470.db2.gz DXGUTYCAAYXMCZ-SJLPKXTDSA-N 1 0 344.459 1.417 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N(C)C3CC([NH3+])C3)CC2)cc1 ZINC000841779698 594951182 /nfs/dbraw/zinc/95/11/82/594951182.db2.gz XEHFZTWKBPOEMX-UHFFFAOYSA-N 1 0 332.448 1.795 20 10 EDCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+](C)C ZINC000836622685 594981440 /nfs/dbraw/zinc/98/14/40/594981440.db2.gz VXVAHFBEJNXKGA-HNNXBMFYSA-N 1 0 348.491 1.645 20 10 EDCDRO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCC[NH2+]C1 ZINC000841923504 594982488 /nfs/dbraw/zinc/98/24/88/594982488.db2.gz JDHLEWZHSYULAN-JTQLQIEISA-N 1 0 342.237 1.954 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841923251 594982585 /nfs/dbraw/zinc/98/25/85/594982585.db2.gz ZQBQGWZHJCSBMH-KRWDZBQOSA-N 1 0 346.475 1.807 20 10 EDCDRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cc(Br)ccc1O ZINC000841938984 594985881 /nfs/dbraw/zinc/98/58/81/594985881.db2.gz SDLXCTGBOAZXNC-JTQLQIEISA-N 1 0 342.237 1.954 20 10 EDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149335 595023328 /nfs/dbraw/zinc/02/33/28/595023328.db2.gz WCZDUTNGAKWEOO-CYBMUJFWSA-N 1 0 338.427 1.142 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000842152354 595024339 /nfs/dbraw/zinc/02/43/39/595024339.db2.gz HKGRMDOQZOMHNM-CXAGYDPISA-N 1 0 346.475 1.263 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000842203666 595037589 /nfs/dbraw/zinc/03/75/89/595037589.db2.gz VTWNVJUFULMFIJ-GUYCJALGSA-N 1 0 346.475 1.564 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000842206735 595038837 /nfs/dbraw/zinc/03/88/37/595038837.db2.gz KDJSSLBOFOSRLI-INIZCTEOSA-N 1 0 346.475 1.346 20 10 EDCDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215983 595041801 /nfs/dbraw/zinc/04/18/01/595041801.db2.gz ZKDHFAAAOBTOSV-GDBMZVCRSA-N 1 0 344.459 1.099 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000842223224 595043628 /nfs/dbraw/zinc/04/36/28/595043628.db2.gz FTVAYYODDMKOGQ-INIZCTEOSA-N 1 0 346.475 1.358 20 10 EDCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000842225050 595044464 /nfs/dbraw/zinc/04/44/64/595044464.db2.gz GPPNNSOOVOMBGZ-DOTOQJQBSA-N 1 0 326.412 1.274 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000842229738 595045686 /nfs/dbraw/zinc/04/56/86/595045686.db2.gz MSAPTYCVLZWLOH-JKSUJKDBSA-N 1 0 347.459 1.907 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000843265329 595057972 /nfs/dbraw/zinc/05/79/72/595057972.db2.gz SPGHQRIQRWXDSL-LSDHHAIUSA-N 1 0 348.491 1.732 20 10 EDCDRO CC(=O)N[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCC1 ZINC000843299378 595066409 /nfs/dbraw/zinc/06/64/09/595066409.db2.gz SJDVZJCKHUBFNH-QZTJIDSGSA-N 1 0 346.475 1.564 20 10 EDCDRO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350798 595083710 /nfs/dbraw/zinc/08/37/10/595083710.db2.gz VIRGUNCEJIXYSZ-ZDUSSCGKSA-N 1 0 344.459 1.023 20 10 EDCDRO CCOc1ccc(C[NH+]2CCN(CCOCCOC)CC2)c(O)c1 ZINC000846118188 595147990 /nfs/dbraw/zinc/14/79/90/595147990.db2.gz VEVGXMYEYDGRRF-UHFFFAOYSA-N 1 0 338.448 1.572 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709798 595174722 /nfs/dbraw/zinc/17/47/22/595174722.db2.gz RAPVXKSQHXILHN-OAHLLOKOSA-N 1 0 339.386 1.512 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)C3)cc2F)CC1 ZINC000843793283 595187646 /nfs/dbraw/zinc/18/76/46/595187646.db2.gz XDVBIDFMUJASIO-OAHLLOKOSA-N 1 0 347.434 1.953 20 10 EDCDRO COCC[C@@H](C)S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785109 595197475 /nfs/dbraw/zinc/19/74/75/595197475.db2.gz OXVQVHRPSBYOQQ-DOMZBBRYSA-N 1 0 329.466 1.097 20 10 EDCDRO COCC(=O)NC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026686 595247725 /nfs/dbraw/zinc/24/77/25/595247725.db2.gz ZQLMIQKSSCFPJY-SNAWJCMRSA-N 1 0 331.460 1.993 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000844217715 595304863 /nfs/dbraw/zinc/30/48/63/595304863.db2.gz KYUOSJZCOVMLAU-MRXNPFEDSA-N 1 0 346.475 1.015 20 10 EDCDRO Cc1nn(C)c(C)c1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000844219575 595305390 /nfs/dbraw/zinc/30/53/90/595305390.db2.gz LDFZUONGKXZFRQ-UHFFFAOYSA-N 1 0 327.432 1.887 20 10 EDCDRO COC(=O)CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849319856 595505624 /nfs/dbraw/zinc/50/56/24/595505624.db2.gz HEURQKSDYYFPMZ-WMLDXEAASA-N 1 0 347.459 1.957 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)CO[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000852900652 595605078 /nfs/dbraw/zinc/60/50/78/595605078.db2.gz OOSYFYWKSCUUKH-PBHICJAKSA-N 1 0 333.432 1.159 20 10 EDCDRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000852923813 595616978 /nfs/dbraw/zinc/61/69/78/595616978.db2.gz FFZPVWYPMFZTLG-PBHICJAKSA-N 1 0 346.475 1.297 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1F ZINC000858163327 595716942 /nfs/dbraw/zinc/71/69/42/595716942.db2.gz BTKBKBXOBLKLLZ-LLVKDONJSA-N 1 0 332.416 1.945 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1F ZINC000858163329 595717234 /nfs/dbraw/zinc/71/72/34/595717234.db2.gz BTKBKBXOBLKLLZ-NSHDSACASA-N 1 0 332.416 1.945 20 10 EDCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)n(C)n1 ZINC000850355241 595816955 /nfs/dbraw/zinc/81/69/55/595816955.db2.gz CBXBZAVSXROTLO-UHFFFAOYSA-N 1 0 348.472 1.253 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000851662907 595873794 /nfs/dbraw/zinc/87/37/94/595873794.db2.gz NMNGIKZKYJKLAK-DNVCBOLYSA-N 1 0 346.475 1.963 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000851677045 595880865 /nfs/dbraw/zinc/88/08/65/595880865.db2.gz AWQARORCWKAFKQ-RHSMWYFYSA-N 1 0 334.464 1.947 20 10 EDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000851792488 595925538 /nfs/dbraw/zinc/92/55/38/595925538.db2.gz PHBRYLJCEMBOOR-OAHLLOKOSA-N 1 0 334.416 1.768 20 10 EDCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+](C)C ZINC000856211560 595926779 /nfs/dbraw/zinc/92/67/79/595926779.db2.gz USASPCSLSPEUGE-GOSISDBHSA-N 1 0 333.476 1.850 20 10 EDCDRO C[C@H]([NH2+]CC(=O)Nc1cnccn1)c1ccc(N2CCOCC2)cc1 ZINC000851894887 595966226 /nfs/dbraw/zinc/96/62/26/595966226.db2.gz AZHGSFDEQRRZKQ-AWEZNQCLSA-N 1 0 341.415 1.603 20 10 EDCDRO C[NH2+]CCOCCNC(=O)NCc1cccc(Br)c1O ZINC000861675390 596064146 /nfs/dbraw/zinc/06/41/46/596064146.db2.gz CVFSRBBWEQNGDV-UHFFFAOYSA-N 1 0 346.225 1.190 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000852159212 596064958 /nfs/dbraw/zinc/06/49/58/596064958.db2.gz RGTLKFBSSXPXSJ-UHFFFAOYSA-N 1 0 331.460 1.748 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1 ZINC000852189709 596079729 /nfs/dbraw/zinc/07/97/29/596079729.db2.gz PCBHOWBKBMQHKD-UHFFFAOYSA-N 1 0 346.475 1.759 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861813398 596111448 /nfs/dbraw/zinc/11/14/48/596111448.db2.gz OVWQPVZIMGYQGK-WMLDXEAASA-N 1 0 346.475 1.356 20 10 EDCDRO CS(=O)(=O)[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862357107 596308709 /nfs/dbraw/zinc/30/87/09/596308709.db2.gz ULMTWQPTBWWSEV-VIFPVBQESA-N 1 0 334.235 1.774 20 10 EDCDRO C[N@@H+]1CCn2nc(NCc3ccc(N4CCOCC4)cc3)cc2C1 ZINC000865845053 596700950 /nfs/dbraw/zinc/70/09/50/596700950.db2.gz GEQCQUYDFVMWOT-UHFFFAOYSA-N 1 0 327.432 1.777 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ncc3cccnc32)cc1 ZINC000876506952 597224366 /nfs/dbraw/zinc/22/43/66/597224366.db2.gz RQSOHLMHTSFKHY-MRXNPFEDSA-N 1 0 338.415 1.314 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCCN(C)C2=O)cc1 ZINC000876506200 597224644 /nfs/dbraw/zinc/22/46/44/597224644.db2.gz HBDPFTQZBWTHML-CVEARBPZSA-N 1 0 332.448 1.127 20 10 EDCDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876542823 597233920 /nfs/dbraw/zinc/23/39/20/597233920.db2.gz VZVDFOZIGAMROV-UHFFFAOYSA-N 1 0 345.487 1.948 20 10 EDCDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876592705 597253363 /nfs/dbraw/zinc/25/33/63/597253363.db2.gz HBRABPYTORYMCY-HOCLYGCPSA-N 1 0 331.460 1.734 20 10 EDCDRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2c(C)cccc2O)C1 ZINC000876677738 597285038 /nfs/dbraw/zinc/28/50/38/597285038.db2.gz CLGAGPIOJXQKBC-HNNXBMFYSA-N 1 0 348.443 1.934 20 10 EDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000876732454 597311392 /nfs/dbraw/zinc/31/13/92/597311392.db2.gz WNTWJYVOQBUKPW-UKRRQHHQSA-N 1 0 332.448 1.003 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876750671 597321423 /nfs/dbraw/zinc/32/14/23/597321423.db2.gz XURNONKIIWFFMD-SUMWQHHRSA-N 1 0 335.423 1.728 20 10 EDCDRO Cc1ccc(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c(O)c1 ZINC000876790573 597341307 /nfs/dbraw/zinc/34/13/07/597341307.db2.gz OXSAMTDGJPMNLM-MRXNPFEDSA-N 1 0 331.460 1.829 20 10 EDCDRO CC[C@@H]1COCCN1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000875301242 597375444 /nfs/dbraw/zinc/37/54/44/597375444.db2.gz PMOKSAFPEUOGLH-QGZVFWFLSA-N 1 0 348.491 1.971 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@]3(C[NH3+])CCCOC3)C2)cc1 ZINC000876930766 597388553 /nfs/dbraw/zinc/38/85/53/597388553.db2.gz CTAGONBNGQWAQK-BEFAXECRSA-N 1 0 347.459 1.393 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000873861872 597423607 /nfs/dbraw/zinc/42/36/07/597423607.db2.gz IRJISODGJATBTF-QGZVFWFLSA-N 1 0 331.460 1.823 20 10 EDCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000877146179 597442833 /nfs/dbraw/zinc/44/28/33/597442833.db2.gz PPDAPUASNHDBGT-FUHWJXTLSA-N 1 0 331.460 1.903 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)c(OC)c1 ZINC000877227237 597467952 /nfs/dbraw/zinc/46/79/52/597467952.db2.gz GKOFGPHMPFXVEG-BEFAXECRSA-N 1 0 345.443 1.352 20 10 EDCDRO COC(=O)NC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877644024 597543944 /nfs/dbraw/zinc/54/39/44/597543944.db2.gz KLJZJSSHDDECQD-UHFFFAOYSA-N 1 0 347.459 1.968 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c1 ZINC000877794624 597558292 /nfs/dbraw/zinc/55/82/92/597558292.db2.gz XKLRWWNKKXRDAJ-UONOGXRCSA-N 1 0 325.430 1.657 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)cn3)cc2)CC1 ZINC000881851875 597754648 /nfs/dbraw/zinc/75/46/48/597754648.db2.gz CKWBDSYUTLIBMI-UHFFFAOYSA-N 1 0 328.391 1.903 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)c3ccccc3)cc2)CC1 ZINC000881854270 597756796 /nfs/dbraw/zinc/75/67/96/597756796.db2.gz ZFCVRAOAQLPMSJ-UHFFFAOYSA-N 1 0 337.423 1.938 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCCO3)cc2)CC1 ZINC000883507388 597780298 /nfs/dbraw/zinc/78/02/98/597780298.db2.gz ZADAQMDPAPWDAH-LJQANCHMSA-N 1 0 346.475 1.807 20 10 EDCDRO Cn1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c1=O ZINC000882880066 598093918 /nfs/dbraw/zinc/09/39/18/598093918.db2.gz AIVLYLKUBZZJNX-UHFFFAOYSA-N 1 0 347.850 1.798 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C)cc1C ZINC000939296929 699483628 /nfs/dbraw/zinc/48/36/28/699483628.db2.gz LAGFFUWBNOXXPO-CJNGLKHVSA-N 1 0 343.431 1.382 20 10 EDCDRO CC[NH2+]CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000325310365 702804812 /nfs/dbraw/zinc/80/48/12/702804812.db2.gz YPMMFFAVLUNXAA-UHFFFAOYSA-N 1 0 334.376 1.752 20 10 EDCDRO COc1ccc(C[NH2+]C2CCN(C(=O)Cn3ccnc3)CC2)cc1C ZINC000997417147 703669247 /nfs/dbraw/zinc/66/92/47/703669247.db2.gz OBIRLIPJFPBHIW-UHFFFAOYSA-N 1 0 342.443 1.981 20 10 EDCDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000922639150 704169079 /nfs/dbraw/zinc/16/90/79/704169079.db2.gz IWPUGRRVASYKDW-MRXNPFEDSA-N 1 0 335.423 1.763 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1F ZINC000922820890 704396927 /nfs/dbraw/zinc/39/69/27/704396927.db2.gz HIQKFGAAFWWEQI-CYBMUJFWSA-N 1 0 332.441 1.167 20 10 EDCDRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921832903 708127916 /nfs/dbraw/zinc/12/79/16/708127916.db2.gz DNRYUYBISMLBTL-CVEARBPZSA-N 1 0 338.473 1.819 20 10 EDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000089634284 237004797 /nfs/dbraw/zinc/00/47/97/237004797.db2.gz ONJZDYUIYBWQJU-HUUCEWRRSA-N 1 0 340.489 1.997 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267251940 249356591 /nfs/dbraw/zinc/35/65/91/249356591.db2.gz ZUDLSUSLNUOYLB-QGZVFWFLSA-N 1 0 336.505 1.989 20 10 EDCDRO CC[NH+](CC)CCS(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000352247677 250076875 /nfs/dbraw/zinc/07/68/75/250076875.db2.gz OWPREYXQQCYXRW-UHFFFAOYSA-N 1 0 341.477 1.623 20 10 EDCDRO O=C(CC1CC[NH+](Cc2cc(F)ccc2O)CC1)N1CCOCC1 ZINC000361049503 250169704 /nfs/dbraw/zinc/16/97/04/250169704.db2.gz CYUXLYKMFOJGCW-UHFFFAOYSA-N 1 0 336.407 1.992 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000372487150 250221325 /nfs/dbraw/zinc/22/13/25/250221325.db2.gz ZQOKFGRPGLCUKU-KZULUSFZSA-N 1 0 347.415 1.867 20 10 EDCDRO CN1CCc2cc(C[NH2+][C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)ccc21 ZINC000377723826 250290262 /nfs/dbraw/zinc/29/02/62/250290262.db2.gz LNFXVZMJUMYQML-AYBZRNKSSA-N 1 0 329.444 1.595 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419704556 447361450 /nfs/dbraw/zinc/36/14/50/447361450.db2.gz GSDLZYJFMJJTPB-TZMCWYRMSA-N 1 0 342.443 1.360 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1O ZINC000378339348 447418692 /nfs/dbraw/zinc/41/86/92/447418692.db2.gz DUGKYWGURXJRQM-SFHVURJKSA-N 1 0 347.415 1.601 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1OC ZINC000378439381 447428644 /nfs/dbraw/zinc/42/86/44/447428644.db2.gz PDLRBBKPBYYRNC-UHFFFAOYSA-N 1 0 344.415 1.912 20 10 EDCDRO Cc1cc(Cl)cc(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000378439673 447428768 /nfs/dbraw/zinc/42/87/68/447428768.db2.gz SVJBNZRAOXJBED-UHFFFAOYSA-N 1 0 339.867 1.950 20 10 EDCDRO Cc1cccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c1O ZINC000378456402 447429999 /nfs/dbraw/zinc/42/99/99/447429999.db2.gz OFVDKSMZXSILBA-UHFFFAOYSA-N 1 0 326.400 1.885 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2nccs2)C1 ZINC000045080919 440948075 /nfs/dbraw/zinc/94/80/75/440948075.db2.gz ZAGNCJJQBYOHNB-GFCCVEGCSA-N 1 0 329.491 1.708 20 10 EDCDRO COc1cccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000092530398 441806846 /nfs/dbraw/zinc/80/68/46/441806846.db2.gz SLJGKIRXFXVFRO-UHFFFAOYSA-N 1 0 328.434 1.257 20 10 EDCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159446395 441813739 /nfs/dbraw/zinc/81/37/39/441813739.db2.gz PLHGXTRNCFWBAM-HNNXBMFYSA-N 1 0 326.462 1.994 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000118829180 441905384 /nfs/dbraw/zinc/90/53/84/441905384.db2.gz DCFSDACYBFYCLY-LJQANCHMSA-N 1 0 344.503 1.929 20 10 EDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000166606975 442217687 /nfs/dbraw/zinc/21/76/87/442217687.db2.gz GOYPIDUOBVOQJS-IAGOWNOFSA-N 1 0 344.503 1.828 20 10 EDCDRO Oc1ccccc1C[N@H+](C[C@H](O)Cn1cccn1)C[C@@H]1CCCO1 ZINC000171922964 442391198 /nfs/dbraw/zinc/39/11/98/442391198.db2.gz VGWVBEDTTOYNKY-IRXDYDNUSA-N 1 0 331.416 1.631 20 10 EDCDRO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccccc3O)CC2)no1 ZINC000179554920 442474763 /nfs/dbraw/zinc/47/47/63/442474763.db2.gz WUTOQMWWRNECSV-UHFFFAOYSA-N 1 0 330.388 1.445 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000180774228 442658320 /nfs/dbraw/zinc/65/83/20/442658320.db2.gz IVOOGPVJHCKCSJ-MQDFFIGUSA-N 1 0 346.427 1.682 20 10 EDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH+](C)C ZINC000268209934 442901506 /nfs/dbraw/zinc/90/15/06/442901506.db2.gz NFXFHZUFHWSWAA-QAPCUYQASA-N 1 0 346.475 1.615 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](COC)C1)cc2=O ZINC000265743262 442904288 /nfs/dbraw/zinc/90/42/88/442904288.db2.gz CTQGANKATOPVSR-LLVKDONJSA-N 1 0 334.376 1.080 20 10 EDCDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000189630968 442987153 /nfs/dbraw/zinc/98/71/53/442987153.db2.gz ABKHZMHLYYNQJC-IBGZPJMESA-N 1 0 333.476 1.948 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000278951380 443475334 /nfs/dbraw/zinc/47/53/34/443475334.db2.gz HENAOUPMLXUQJT-LBPRGKRZSA-N 1 0 341.415 1.592 20 10 EDCDRO C[NH+](C)CCCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264843957 443450551 /nfs/dbraw/zinc/45/05/51/443450551.db2.gz AYRSVUUMWHUPAB-JXMROGBWSA-N 1 0 331.460 1.994 20 10 EDCDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000269887410 443455090 /nfs/dbraw/zinc/45/50/90/443455090.db2.gz BLMLATOGUYIXLB-CABCVRRESA-N 1 0 331.368 1.695 20 10 EDCDRO O=C([C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2)N1CCOCC1 ZINC000271165975 443494014 /nfs/dbraw/zinc/49/40/14/443494014.db2.gz SFNLKVWLTZVIOG-CQSZACIVSA-N 1 0 348.399 1.334 20 10 EDCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC000279390991 443574162 /nfs/dbraw/zinc/57/41/62/443574162.db2.gz KFXJRHGKQBGSJK-KRWDZBQOSA-N 1 0 333.388 1.355 20 10 EDCDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cccc(O)c3O)nc2)C1 ZINC000279785866 443628552 /nfs/dbraw/zinc/62/85/52/443628552.db2.gz HXHUTIQCPBANRE-ZDUSSCGKSA-N 1 0 342.399 1.885 20 10 EDCDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000283564619 443662234 /nfs/dbraw/zinc/66/22/34/443662234.db2.gz RLEPBNFVTALSGS-WMLDXEAASA-N 1 0 346.475 1.310 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000276321442 443686798 /nfs/dbraw/zinc/68/67/98/443686798.db2.gz ZAAXVFVSQOCPTR-SNAWJCMRSA-N 1 0 344.459 1.089 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000283693434 443690829 /nfs/dbraw/zinc/69/08/29/443690829.db2.gz PLCGJGKZJSKNBY-KRWDZBQOSA-N 1 0 348.491 1.950 20 10 EDCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1C ZINC000284999895 443815373 /nfs/dbraw/zinc/81/53/73/443815373.db2.gz GDWCSCPUAMNOGN-HNNXBMFYSA-N 1 0 326.462 1.865 20 10 EDCDRO O=CN1CCC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000278327998 444142309 /nfs/dbraw/zinc/14/23/09/444142309.db2.gz VVWBVYFXCRQWLF-UHFFFAOYSA-N 1 0 331.460 1.606 20 10 EDCDRO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1O ZINC000289951327 444223086 /nfs/dbraw/zinc/22/30/86/444223086.db2.gz XYIFBYUAHIGSKU-UHFFFAOYSA-N 1 0 347.459 1.387 20 10 EDCDRO CO[C@@H]1COC[C@H]1n1cc(C[NH2+]Cc2cc(C)c(C)cc2O)nn1 ZINC000289739505 444197049 /nfs/dbraw/zinc/19/70/49/444197049.db2.gz HHRDOYZIPZKASY-NVXWUHKLSA-N 1 0 332.404 1.477 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cc1 ZINC000296500123 444233734 /nfs/dbraw/zinc/23/37/34/444233734.db2.gz QZUAFIYAMJLZJP-GPMSIDNRSA-N 1 0 333.476 1.973 20 10 EDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296590366 444241340 /nfs/dbraw/zinc/24/13/40/444241340.db2.gz UXNAKJVNLPZAJP-CJNGLKHVSA-N 1 0 326.462 1.343 20 10 EDCDRO CC(C)(O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000365178287 446066367 /nfs/dbraw/zinc/06/63/67/446066367.db2.gz HCNZFLHTWIYTRG-CYBMUJFWSA-N 1 0 326.824 1.897 20 10 EDCDRO COc1c(O)c(CN2CCO[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000365798096 446348268 /nfs/dbraw/zinc/34/82/68/446348268.db2.gz UHOKICNVKCJQKI-LBPRGKRZSA-N 1 0 325.365 1.071 20 10 EDCDRO CC[C@H](OC)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000299428445 536019681 /nfs/dbraw/zinc/01/96/81/536019681.db2.gz WPIOHEUAIZNQJT-SFHVURJKSA-N 1 0 349.475 1.749 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000726700665 578355531 /nfs/dbraw/zinc/35/55/31/578355531.db2.gz HUBJXEVOIQZNBL-UHFFFAOYSA-N 1 0 334.464 1.915 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)C[C@@H]1CCOC1)cc2=O ZINC000734152140 578799137 /nfs/dbraw/zinc/79/91/37/578799137.db2.gz PSILCKHGQPFLTE-LBPRGKRZSA-N 1 0 348.403 1.470 20 10 EDCDRO CC(=O)N1CCN(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756410847 579949658 /nfs/dbraw/zinc/94/96/58/579949658.db2.gz KLTDFFYURGBZKA-DOMZBBRYSA-N 1 0 335.423 1.833 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)c(O)c1C ZINC000756688687 579955044 /nfs/dbraw/zinc/95/50/44/579955044.db2.gz QWMKTVGRQGUYQZ-CQSZACIVSA-N 1 0 342.461 1.322 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000767174564 580183145 /nfs/dbraw/zinc/18/31/45/580183145.db2.gz UZXIFFLZBFFAAQ-UHFFFAOYSA-N 1 0 340.427 1.811 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3cnn(C)c3)CC2)c1 ZINC000769308682 580233267 /nfs/dbraw/zinc/23/32/67/580233267.db2.gz JJVPRUKLCDRJPR-UHFFFAOYSA-N 1 0 330.432 1.842 20 10 EDCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773823091 580347095 /nfs/dbraw/zinc/34/70/95/580347095.db2.gz USXDMCJJXARIOS-MRXNPFEDSA-N 1 0 325.478 1.656 20 10 EDCDRO COc1c(O)c(C[NH2+]CC(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000775030324 580381257 /nfs/dbraw/zinc/38/12/57/580381257.db2.gz QVZDAXHABZSFRK-UHFFFAOYSA-N 1 0 337.376 1.848 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000775375563 580389606 /nfs/dbraw/zinc/38/96/06/580389606.db2.gz NJKBYVPUVYPAAI-NWDGAFQWSA-N 1 0 349.431 1.164 20 10 EDCDRO COC[C@H](C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000783627502 580602842 /nfs/dbraw/zinc/60/28/42/580602842.db2.gz VXUQEWXKOFZPIX-CQSZACIVSA-N 1 0 326.462 1.294 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000785429258 580643927 /nfs/dbraw/zinc/64/39/27/580643927.db2.gz XXCMILAOPYRIBI-NVXWUHKLSA-N 1 0 344.459 1.112 20 10 EDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000787994698 580712637 /nfs/dbraw/zinc/71/26/37/580712637.db2.gz FFRLVHMKBGECRI-IAGOWNOFSA-N 1 0 346.475 1.215 20 10 EDCDRO COC/C=C\C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000791299987 580788812 /nfs/dbraw/zinc/78/88/12/580788812.db2.gz GKLLTLZNMMLRHU-HYXAFXHYSA-N 1 0 347.459 1.526 20 10 EDCDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000793792549 580856327 /nfs/dbraw/zinc/85/63/27/580856327.db2.gz HFGYTSORPXPUKP-LSDHHAIUSA-N 1 0 348.491 1.776 20 10 EDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@]2(CCOC2)O1 ZINC000794695495 580903250 /nfs/dbraw/zinc/90/32/50/580903250.db2.gz QZMVAGGAAPHRBA-MAUKXSAKSA-N 1 0 335.400 1.588 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CCCOC1)cc2=O ZINC000796197099 580948206 /nfs/dbraw/zinc/94/82/06/580948206.db2.gz JYLJMPQIWLHNIY-LBPRGKRZSA-N 1 0 334.376 1.222 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1C ZINC000796510236 580955278 /nfs/dbraw/zinc/95/52/78/580955278.db2.gz JMEQQXQQPBVQCO-OAHLLOKOSA-N 1 0 326.462 1.913 20 10 EDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000796514283 580955547 /nfs/dbraw/zinc/95/55/47/580955547.db2.gz XLTQFQAPAASQNP-AWEZNQCLSA-N 1 0 342.461 1.695 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCOCC3)C1)[C@@H](O)CO2 ZINC000799954224 581039788 /nfs/dbraw/zinc/03/97/88/581039788.db2.gz NTNVDYOLXZAOFA-KSSFIOAISA-N 1 0 348.443 1.362 20 10 EDCDRO Nc1ccc(CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000892038206 590764180 /nfs/dbraw/zinc/76/41/80/590764180.db2.gz BIEWYTQSWGYEIU-AAEUAGOBSA-N 1 0 330.354 1.590 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(O)c1OC ZINC000893321271 590777804 /nfs/dbraw/zinc/77/78/04/590777804.db2.gz XVAJDSBKIGBYJR-CYBMUJFWSA-N 1 0 339.388 1.421 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000892175573 590845951 /nfs/dbraw/zinc/84/59/51/590845951.db2.gz MFKVUPBUUWIXFD-IAGOWNOFSA-N 1 0 345.491 1.365 20 10 EDCDRO CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246605 591016373 /nfs/dbraw/zinc/01/63/73/591016373.db2.gz BYKDWWFXEAQAMK-IRXDYDNUSA-N 1 0 348.491 1.619 20 10 EDCDRO CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246603 591016609 /nfs/dbraw/zinc/01/66/09/591016609.db2.gz BYKDWWFXEAQAMK-DLBZAZTESA-N 1 0 348.491 1.619 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)c2cccn2C)[NH+](C)C)cc1 ZINC000891247341 591016666 /nfs/dbraw/zinc/01/66/66/591016666.db2.gz IQGXXNLBOFVNBH-KRWDZBQOSA-N 1 0 342.443 1.693 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@]2(O)CCSC2)[NH+](C)C)cc1 ZINC000891247874 591017095 /nfs/dbraw/zinc/01/70/95/591017095.db2.gz INHGUMLXBAPBTM-WBVHZDCISA-N 1 0 337.489 1.340 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2ncc[nH]2)[NH+](C)C)cc1 ZINC000891248335 591017485 /nfs/dbraw/zinc/01/74/85/591017485.db2.gz KTTRZFLFDMEIRS-MRXNPFEDSA-N 1 0 329.448 1.827 20 10 EDCDRO CC[C@@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCNC1=O ZINC000891248207 591017987 /nfs/dbraw/zinc/01/79/87/591017987.db2.gz WWYDTEZOUKRLET-QFBILLFUSA-N 1 0 346.475 1.388 20 10 EDCDRO COC(=O)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249125 591018825 /nfs/dbraw/zinc/01/88/25/591018825.db2.gz QIUQUXPOWAVUQT-INIZCTEOSA-N 1 0 335.448 1.815 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN2C=O)[NH+](C)C)cc1 ZINC000891250256 591019649 /nfs/dbraw/zinc/01/96/49/591019649.db2.gz VVGZJQQUUYRZKK-IRXDYDNUSA-N 1 0 332.448 1.092 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)[NH+](C)C)cc1 ZINC000891250752 591019769 /nfs/dbraw/zinc/01/97/69/591019769.db2.gz ZQXNSTKGVHWHPK-APWZRJJASA-N 1 0 346.475 1.388 20 10 EDCDRO CCNC(=O)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253375 591020366 /nfs/dbraw/zinc/02/03/66/591020366.db2.gz RSUJMBNSRMSSGI-MRXNPFEDSA-N 1 0 334.464 1.388 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892582549 591081018 /nfs/dbraw/zinc/08/10/18/591081018.db2.gz YCUWXGPXYXWZNF-WKILWMFISA-N 1 0 332.448 1.402 20 10 EDCDRO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(C)cc(OC)c1O)CC2 ZINC000894070119 591179436 /nfs/dbraw/zinc/17/94/36/591179436.db2.gz NXSBHSVJNNLHHX-UHFFFAOYSA-N 1 0 329.400 1.844 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000895651090 591238043 /nfs/dbraw/zinc/23/80/43/591238043.db2.gz SXXPYSMLBJMQJS-HZPDHXFCSA-N 1 0 346.475 1.915 20 10 EDCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000895702565 591254401 /nfs/dbraw/zinc/25/44/01/591254401.db2.gz QQNQVRSBLPRPBV-GOSISDBHSA-N 1 0 337.416 1.808 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000894317210 591276211 /nfs/dbraw/zinc/27/62/11/591276211.db2.gz KQQNEEZIMFUUKU-UGSOOPFHSA-N 1 0 347.415 1.519 20 10 EDCDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc(O)c(O)cc2s1 ZINC000895989342 591319259 /nfs/dbraw/zinc/31/92/59/591319259.db2.gz ADNJRFXLTUIECM-NWDGAFQWSA-N 1 0 348.424 1.906 20 10 EDCDRO CCO[C@H](CNC(=O)NCc1cccc(Cl)c1O)C[NH+](C)C ZINC000896681501 591571832 /nfs/dbraw/zinc/57/18/32/591571832.db2.gz DEBDQNACYVFSOQ-GFCCVEGCSA-N 1 0 329.828 1.812 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000895204901 591656385 /nfs/dbraw/zinc/65/63/85/591656385.db2.gz JXNSQQPQLBSTSB-MCIONIFRSA-N 1 0 338.448 1.997 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2CC(CCO)C2)[NH+](C)C)cc1 ZINC000899096879 591677298 /nfs/dbraw/zinc/67/72/98/591677298.db2.gz WIUYZJKAMOWFKF-JFUPDXTOSA-N 1 0 348.491 1.816 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](CO)C2)[NH+](C)C)cc1 ZINC000899102237 591682346 /nfs/dbraw/zinc/68/23/46/591682346.db2.gz OOYMPOUXBGIXID-QAPCUYQASA-N 1 0 348.491 1.769 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC=C[C@@H]2CO)[NH+](C)C)cc1 ZINC000899098520 591688125 /nfs/dbraw/zinc/68/81/25/591688125.db2.gz PFICVWFTMSQWBH-SJORKVTESA-N 1 0 332.448 1.298 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C)(O)CC2)[NH+](C)C)cc1 ZINC000899101044 591689929 /nfs/dbraw/zinc/68/99/29/591689929.db2.gz HGTARZHAAUJVRM-QGZVFWFLSA-N 1 0 348.491 1.912 20 10 EDCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[C@H]1O ZINC000899100899 591690187 /nfs/dbraw/zinc/69/01/87/591690187.db2.gz CPVUXHSSKMBQRR-FHLIZLRMSA-N 1 0 348.491 1.768 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895526892 591788468 /nfs/dbraw/zinc/78/84/68/591788468.db2.gz TXPBBSSNTMQUJR-GOSISDBHSA-N 1 0 331.460 1.822 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000910557511 592877406 /nfs/dbraw/zinc/87/74/06/592877406.db2.gz DAVMFXNHABKDOP-UCLAIMLFSA-N 1 0 333.476 1.563 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911563220 592949024 /nfs/dbraw/zinc/94/90/24/592949024.db2.gz NOIZTXKQZXBELK-MRXNPFEDSA-N 1 0 347.459 1.779 20 10 EDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CC12COC2 ZINC000840100177 593180069 /nfs/dbraw/zinc/18/00/69/593180069.db2.gz LPWSGXPGUCYAJI-AWEZNQCLSA-N 1 0 335.400 1.721 20 10 EDCDRO C[C@@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000838914726 593231757 /nfs/dbraw/zinc/23/17/57/593231757.db2.gz QGQJKZUNTXVZCS-KGLIPLIRSA-N 1 0 346.431 1.114 20 10 EDCDRO Cc1cc(CN2CCN(CC(N)=O)C(=O)C2)ccc1N1CCCCC1 ZINC000839177797 593271643 /nfs/dbraw/zinc/27/16/43/593271643.db2.gz QOWMBMYXDKKYSQ-UHFFFAOYSA-N 1 0 344.459 1.115 20 10 EDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1O ZINC000808686996 593280979 /nfs/dbraw/zinc/28/09/79/593280979.db2.gz XYXPMLAZENJXPV-GFCCVEGCSA-N 1 0 325.840 1.779 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000817918570 593648520 /nfs/dbraw/zinc/64/85/20/593648520.db2.gz LFTKIOOYZQRKJY-UHFFFAOYSA-N 1 0 346.475 1.298 20 10 EDCDRO COc1cc(O)c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1OC ZINC000818430902 593697722 /nfs/dbraw/zinc/69/77/22/593697722.db2.gz BEEQKZJELSOAPT-UONOGXRCSA-N 1 0 332.404 1.070 20 10 EDCDRO C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000818657694 593710654 /nfs/dbraw/zinc/71/06/54/593710654.db2.gz JSYNXANIDFSEDN-GJZGRUSLSA-N 1 0 332.448 1.525 20 10 EDCDRO CCC1(C[NH2+]C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000819138222 593740887 /nfs/dbraw/zinc/74/08/87/593740887.db2.gz ISZHQONRRIHSHR-GOSISDBHSA-N 1 0 347.503 1.958 20 10 EDCDRO CN1CC[NH+](C[C@@H](O)CNc2ccccc2OCC(F)F)CC1 ZINC000819460994 593755686 /nfs/dbraw/zinc/75/56/86/593755686.db2.gz YKJPKZMKZXINMA-ZDUSSCGKSA-N 1 0 329.391 1.351 20 10 EDCDRO CC[C@H](O)CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000822237793 594016676 /nfs/dbraw/zinc/01/66/76/594016676.db2.gz JAYQLNWGUJJMMD-KRWDZBQOSA-N 1 0 349.475 1.485 20 10 EDCDRO C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000827726202 594265810 /nfs/dbraw/zinc/26/58/10/594265810.db2.gz VDTOHHSZSDJSEE-YJLNNSPDSA-N 1 0 329.444 1.700 20 10 EDCDRO COC1CCN(c2ccc(CN3CC[N@H+](CCO)[C@@H](C)C3)cc2)CC1 ZINC000828987402 594543880 /nfs/dbraw/zinc/54/38/80/594543880.db2.gz CMUFAWVPQMRGLX-KRWDZBQOSA-N 1 0 347.503 1.800 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCCC[NH3+])cc2)C1 ZINC000827468993 594675045 /nfs/dbraw/zinc/67/50/45/594675045.db2.gz JACBCBNVZKCFSW-MRXNPFEDSA-N 1 0 346.475 1.524 20 10 EDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H](O)C1CC1 ZINC000831560798 594683338 /nfs/dbraw/zinc/68/33/38/594683338.db2.gz FNPSXQSAMKUCLE-IBGZPJMESA-N 1 0 343.471 1.606 20 10 EDCDRO CCN(CCC[NH2+]Cc1ccc(N(C)C)cc1C)S(C)(=O)=O ZINC000840929792 594829551 /nfs/dbraw/zinc/82/95/51/594829551.db2.gz OKQOLQRTKUTXAK-UHFFFAOYSA-N 1 0 327.494 1.822 20 10 EDCDRO CCOC(=O)N1CCC([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841044548 594843622 /nfs/dbraw/zinc/84/36/22/594843622.db2.gz CTDVKADVZUBJQC-KRWDZBQOSA-N 1 0 334.464 1.963 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N3CCCO[C@H](C[NH3+])C3)ccc21 ZINC000841760366 594948257 /nfs/dbraw/zinc/94/82/57/594948257.db2.gz UPGWILKTUDQORF-MRXNPFEDSA-N 1 0 332.448 1.328 20 10 EDCDRO C[NH2+]CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841783224 594951761 /nfs/dbraw/zinc/95/17/61/594951761.db2.gz ZHWNXXYZVMLZPK-UHFFFAOYSA-N 1 0 342.390 1.775 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841964938 594990877 /nfs/dbraw/zinc/99/08/77/594990877.db2.gz CFVQKTUNCAGVJD-QGZVFWFLSA-N 1 0 332.448 1.402 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000842003662 594999790 /nfs/dbraw/zinc/99/97/90/594999790.db2.gz ODLLYNHBTWCSGO-ZANVPECISA-N 1 0 329.347 1.758 20 10 EDCDRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170530 595028299 /nfs/dbraw/zinc/02/82/99/595028299.db2.gz HWMQBPRUCQPVNH-QGZVFWFLSA-N 1 0 342.443 1.019 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842201782 595036524 /nfs/dbraw/zinc/03/65/24/595036524.db2.gz CBTYMXZRWHENLR-CFVMTHIKSA-N 1 0 332.448 1.316 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000842206438 595038776 /nfs/dbraw/zinc/03/87/76/595038776.db2.gz GKPOYKRWRKUZTO-GDBMZVCRSA-N 1 0 346.475 1.345 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000842223226 595043634 /nfs/dbraw/zinc/04/36/34/595043634.db2.gz FTVAYYODDMKOGQ-MRXNPFEDSA-N 1 0 346.475 1.358 20 10 EDCDRO COC(=O)c1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000843299136 595066436 /nfs/dbraw/zinc/06/64/36/595066436.db2.gz SMLSBHCKQJPRIN-OAHLLOKOSA-N 1 0 342.399 1.364 20 10 EDCDRO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349664 595082542 /nfs/dbraw/zinc/08/25/42/595082542.db2.gz HXHIDHFLCGBDEA-LBPRGKRZSA-N 1 0 332.448 1.911 20 10 EDCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000846076386 595136824 /nfs/dbraw/zinc/13/68/24/595136824.db2.gz OOECFRDLOWXPJG-MRXNPFEDSA-N 1 0 329.444 1.624 20 10 EDCDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000846186916 595168024 /nfs/dbraw/zinc/16/80/24/595168024.db2.gz HLTMVPVBQKAKEE-SWLSCSKDSA-N 1 0 338.473 1.956 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC[C@@H]2CCCO2)cc1 ZINC000842784199 595197662 /nfs/dbraw/zinc/19/76/62/595197662.db2.gz CJXSLYWECRRYOQ-HOTGVXAUSA-N 1 0 341.477 1.241 20 10 EDCDRO C[C@H]1CCCCN1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784096 595197693 /nfs/dbraw/zinc/19/76/93/595197693.db2.gz GMAWUZJVTKZWQX-BBRMVZONSA-N 1 0 340.493 1.461 20 10 EDCDRO C[C@@H]1C[C@@H](S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000842785490 595197859 /nfs/dbraw/zinc/19/78/59/595197859.db2.gz NXFKSOULLOYZHS-KCXAZCMYSA-N 1 0 341.477 1.239 20 10 EDCDRO CO[C@@H](CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000842786356 595198249 /nfs/dbraw/zinc/19/82/49/595198249.db2.gz YUMIEEWOYUEFGI-CVEARBPZSA-N 1 0 343.493 1.343 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000835037656 595251040 /nfs/dbraw/zinc/25/10/40/595251040.db2.gz JVZGVZDSJYJKEB-UTCJRWHESA-N 1 0 337.489 1.781 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000835042422 595252662 /nfs/dbraw/zinc/25/26/62/595252662.db2.gz VHKKRKMLLXBNKM-XQDHMALISA-N 1 0 337.489 1.779 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1O ZINC000843066425 595279167 /nfs/dbraw/zinc/27/91/67/595279167.db2.gz XAMYQNLTVDXAQB-OAHLLOKOSA-N 1 0 333.432 1.187 20 10 EDCDRO COc1c(O)c(CN2CC[NH2+]C[C@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000843121752 595291802 /nfs/dbraw/zinc/29/18/02/595291802.db2.gz KOAMCSIJFVHJAT-ZDUSSCGKSA-N 1 0 347.375 1.189 20 10 EDCDRO CC(C)([NH3+])CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000844175928 595292320 /nfs/dbraw/zinc/29/23/20/595292320.db2.gz MQYFCVKKAFWYMV-HNNXBMFYSA-N 1 0 346.475 1.522 20 10 EDCDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000844176370 595292960 /nfs/dbraw/zinc/29/29/60/595292960.db2.gz ROUYOWSFNFLUCH-GOEBONIOSA-N 1 0 346.475 1.378 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000844227504 595310044 /nfs/dbraw/zinc/31/00/44/595310044.db2.gz XERHAVASJBZKMB-GOSISDBHSA-N 1 0 332.492 1.866 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000844400264 595337084 /nfs/dbraw/zinc/33/70/84/595337084.db2.gz YQYHDERCGVUEFR-CYBMUJFWSA-N 1 0 348.447 1.440 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000844400053 595337631 /nfs/dbraw/zinc/33/76/31/595337631.db2.gz UGNDDHALOJZOJS-UHFFFAOYSA-N 1 0 348.447 1.394 20 10 EDCDRO COCCOCCN1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000844467697 595347891 /nfs/dbraw/zinc/34/78/91/595347891.db2.gz FSEONJZAXHWVQN-UHFFFAOYSA-N 1 0 335.492 1.842 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(CO)OC)c1O ZINC000848560357 595405572 /nfs/dbraw/zinc/40/55/72/595405572.db2.gz LURLRVUDKQNFKA-CYBMUJFWSA-N 1 0 334.210 1.650 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000844923387 595415222 /nfs/dbraw/zinc/41/52/22/595415222.db2.gz FVQYJOLGGZBUFO-MRXNPFEDSA-N 1 0 334.464 1.867 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=S)NCCC[NH+](C)C)C2)cc1 ZINC000849270857 595499192 /nfs/dbraw/zinc/49/91/92/595499192.db2.gz RBKGRQIXWZHCNQ-CQSZACIVSA-N 1 0 336.505 1.690 20 10 EDCDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000852859858 595580926 /nfs/dbraw/zinc/58/09/26/595580926.db2.gz CEULAJLYBPZQCR-SFHVURJKSA-N 1 0 345.487 1.900 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000858172311 595719402 /nfs/dbraw/zinc/71/94/02/595719402.db2.gz QJCFZRUZCWUDDG-OKILXGFUSA-N 1 0 325.403 1.984 20 10 EDCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000858180372 595722342 /nfs/dbraw/zinc/72/23/42/595722342.db2.gz SIXYMECYTAEXPZ-VIFPVBQESA-N 1 0 338.209 1.636 20 10 EDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850355885 595817087 /nfs/dbraw/zinc/81/70/87/595817087.db2.gz MMHMYKAJPRENGH-ZBFHGGJFSA-N 1 0 338.473 1.579 20 10 EDCDRO C[NH+](C)CCC[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853625651 595838121 /nfs/dbraw/zinc/83/81/21/595838121.db2.gz UTBPGSZBPOKYGV-WMLDXEAASA-N 1 0 336.432 1.361 20 10 EDCDRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1 ZINC000851664778 595874706 /nfs/dbraw/zinc/87/47/06/595874706.db2.gz KOAGJRHHJBBYLV-QGZVFWFLSA-N 1 0 334.464 1.564 20 10 EDCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000851691055 595886477 /nfs/dbraw/zinc/88/64/77/595886477.db2.gz DPOIVNLUHDQQPV-CYBMUJFWSA-N 1 0 345.399 1.238 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](CO)C3CCC3)CC2)cc1 ZINC000852321236 596125054 /nfs/dbraw/zinc/12/50/54/596125054.db2.gz SHPGUERADJIDHN-GOSISDBHSA-N 1 0 347.459 1.094 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857243905 596196274 /nfs/dbraw/zinc/19/62/74/596196274.db2.gz CEMMAHYTMBTQNU-KXBFYZLASA-N 1 0 344.459 1.051 20 10 EDCDRO COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC[NH+](C)C)C2)cc1 ZINC000867497095 596398018 /nfs/dbraw/zinc/39/80/18/596398018.db2.gz MQSWVRJCBXYNGW-CQSZACIVSA-N 1 0 341.477 1.145 20 10 EDCDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccccc1O ZINC000868509160 596866051 /nfs/dbraw/zinc/86/60/51/596866051.db2.gz BFDJSRUACKSTRD-LSDHHAIUSA-N 1 0 334.464 1.778 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000866440823 596887518 /nfs/dbraw/zinc/88/75/18/596887518.db2.gz UBWDSTKYLRCTCQ-GUBZILKMSA-N 1 0 328.796 1.762 20 10 EDCDRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000876527488 597230868 /nfs/dbraw/zinc/23/08/68/597230868.db2.gz HONUGXDWCFGRDB-KBXCAEBGSA-N 1 0 327.428 1.860 20 10 EDCDRO CC(C)[C@H](CNC(=O)N1Cc2cccc(O)c2C1)[NH+]1CCN(C)CC1 ZINC000875048590 597260190 /nfs/dbraw/zinc/26/01/90/597260190.db2.gz UWZUUGGSTORIFN-KRWDZBQOSA-N 1 0 346.475 1.689 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@]3(C)C[C@@H](OC)C[NH2+]3)CC2)cc1 ZINC000876748284 597320361 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CCOc1ccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c1 ZINC000877794623 597558217 /nfs/dbraw/zinc/55/82/17/597558217.db2.gz XKLRWWNKKXRDAJ-KGLIPLIRSA-N 1 0 325.430 1.657 20 10 EDCDRO CC[NH+](CC)CC[C@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000883161178 597672633 /nfs/dbraw/zinc/67/26/33/597672633.db2.gz LFBANQJCCCPRGM-GOSISDBHSA-N 1 0 335.492 1.706 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1O ZINC000879648439 597673765 /nfs/dbraw/zinc/67/37/65/597673765.db2.gz PCEMGMVSLZMONC-BDAKNGLRSA-N 1 0 333.310 1.819 20 10 EDCDRO C[C@@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000879649501 597673990 /nfs/dbraw/zinc/67/39/90/597673990.db2.gz VFSJTTKRTSNGNL-CHWSQXEVSA-N 1 0 340.379 1.700 20 10 EDCDRO CCOC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000879649050 597674054 /nfs/dbraw/zinc/67/40/54/597674054.db2.gz KMEWDXZQCJVNHN-CYBMUJFWSA-N 1 0 349.431 1.780 20 10 EDCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)c(O)c1 ZINC000883335844 597718817 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CN(C)c1ccc(C[N@H+](CC2CN(S(C)(=O)=O)C2)C2CC2)cc1 ZINC000929293996 711140557 /nfs/dbraw/zinc/14/05/57/711140557.db2.gz BDECTUJVOSFUNC-UHFFFAOYSA-N 1 0 337.489 1.608 20 10 EDCDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000373917579 250247737 /nfs/dbraw/zinc/24/77/37/250247737.db2.gz LAMRXCMXKLGNFP-GOSISDBHSA-N 1 0 331.460 1.794 20 10 EDCDRO COc1cccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1O ZINC000378147564 250297755 /nfs/dbraw/zinc/29/77/55/250297755.db2.gz GCMNKHXNLDNSLE-GOSISDBHSA-N 1 0 336.432 1.372 20 10 EDCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000377274401 250287510 /nfs/dbraw/zinc/28/75/10/250287510.db2.gz YXOAVQOYKBAFSH-LPHOPBHVSA-N 1 0 332.444 1.903 20 10 EDCDRO COc1cc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1OC ZINC000284434969 295027153 /nfs/dbraw/zinc/02/71/53/295027153.db2.gz DLJPTBCHYPYKFK-UONOGXRCSA-N 1 0 337.376 1.521 20 10 EDCDRO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCN2C1=O ZINC000378440712 447428420 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COc1cc(O)c(C[NH+]2CCN(c3cc(C)[nH]n3)CC2)cc1OC ZINC000189020655 442862209 /nfs/dbraw/zinc/86/22/09/442862209.db2.gz VSFKOXUKUWIDRA-UHFFFAOYSA-N 1 0 332.404 1.763 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@@H](C)O)C3)CC2)cc1 ZINC000183162445 442893412 /nfs/dbraw/zinc/89/34/12/442893412.db2.gz BNRQRNUKIGCKCM-HZPDHXFCSA-N 1 0 347.459 1.047 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(O)CCCC3)cc2F)CC1 ZINC000264372734 443267321 /nfs/dbraw/zinc/26/73/21/443267321.db2.gz ATWAEHQJCGCNGR-UHFFFAOYSA-N 1 0 349.450 1.889 20 10 EDCDRO CN1CCCc2cc(CNC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)ccc21 ZINC000278990926 443483367 /nfs/dbraw/zinc/48/33/67/443483367.db2.gz LAHDAILNWFFECD-HNNXBMFYSA-N 1 0 339.443 1.799 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(COC)CC1)cc2=O ZINC000264897596 443471492 /nfs/dbraw/zinc/47/14/92/443471492.db2.gz YPNHAKOZZKKBJY-UHFFFAOYSA-N 1 0 348.403 1.470 20 10 EDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)c1 ZINC000275700501 443638555 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20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(C(N)=O)CCCCC2)cc1 ZINC000298810300 443875117 /nfs/dbraw/zinc/87/51/17/443875117.db2.gz ZUZCBJYCJYMBLY-UHFFFAOYSA-N 1 0 332.448 1.147 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](O)C(C)C)CC2)cc1 ZINC000285257528 443914955 /nfs/dbraw/zinc/91/49/55/443914955.db2.gz ZOEORBNFRVRSSW-GOSISDBHSA-N 1 0 349.475 1.340 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289321874 444107240 /nfs/dbraw/zinc/10/72/40/444107240.db2.gz FUYNYCBFHQSMDF-CYBMUJFWSA-N 1 0 342.461 1.504 20 10 EDCDRO COc1ccc(N2CCCN(c3cc[nH+]cc3C(N)=O)CC2)cc1 ZINC000302209609 444209161 /nfs/dbraw/zinc/20/91/61/444209161.db2.gz FZMWUKFRSBGLNK-UHFFFAOYSA-N 1 0 326.400 1.906 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCCC[NH2+]1 ZINC000325431481 444366152 /nfs/dbraw/zinc/36/61/52/444366152.db2.gz RKGCXKMSNUZULO-MRXNPFEDSA-N 1 0 335.423 1.811 20 10 EDCDRO COCC[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]C1 ZINC000364237388 445903398 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COc1ccc(N2CCN(CCC[NH2+]Cc3cncn3C)CC2)cc1 ZINC000237273250 536696886 /nfs/dbraw/zinc/69/68/86/536696886.db2.gz XGJZRORFEKYUBM-UHFFFAOYSA-N 1 0 343.475 1.731 20 10 EDCDRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000743642266 579486775 /nfs/dbraw/zinc/48/67/75/579486775.db2.gz QSKRQJMPPNQYNO-UHFFFAOYSA-N 1 0 336.480 1.829 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000726797646 578361806 /nfs/dbraw/zinc/36/18/06/578361806.db2.gz NUWJSZGWLQBHGH-JTQLQIEISA-N 1 0 329.194 1.484 20 10 EDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000730277822 578638616 /nfs/dbraw/zinc/63/86/16/578638616.db2.gz CTBIFISVIGFRLE-UHFFFAOYSA-N 1 0 333.476 1.853 20 10 EDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732798809 578729939 /nfs/dbraw/zinc/72/99/39/578729939.db2.gz OGDCYOXQMWVKME-SNVBAGLBSA-N 1 0 346.305 1.716 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735849492 578928719 /nfs/dbraw/zinc/92/87/19/578928719.db2.gz 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ZINC000769385128 580235332 /nfs/dbraw/zinc/23/53/32/580235332.db2.gz SXIIQQHTNCFHKE-LBPRGKRZSA-N 1 0 328.434 1.291 20 10 EDCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000769429356 580236831 /nfs/dbraw/zinc/23/68/31/580236831.db2.gz YOMSLDOLNRVHJU-INIZCTEOSA-N 1 0 325.478 1.786 20 10 EDCDRO COc1cccc(O)c1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000769530991 580239264 /nfs/dbraw/zinc/23/92/64/580239264.db2.gz CPQYXRUNKZVTSZ-HNNXBMFYSA-N 1 0 333.432 1.139 20 10 EDCDRO COc1cccc(O)c1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000770323051 580258117 /nfs/dbraw/zinc/25/81/17/580258117.db2.gz CXJJZMBHSIBXQX-UHFFFAOYSA-N 1 0 328.434 1.257 20 10 EDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000775206103 580385696 /nfs/dbraw/zinc/38/56/96/580385696.db2.gz UOMCMWUVHYVHKO-WFASDCNBSA-N 1 0 329.824 1.891 20 10 EDCDRO CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1O ZINC000775512977 580392632 /nfs/dbraw/zinc/39/26/32/580392632.db2.gz VDGLTZYCECDFQN-AWEZNQCLSA-N 1 0 339.417 1.541 20 10 EDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000776867701 580430275 /nfs/dbraw/zinc/43/02/75/580430275.db2.gz DZPUZZNFJFGSMZ-YLQAJVPDSA-N 1 0 325.405 1.872 20 10 EDCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C[C@@H](C)O2 ZINC000790395075 580768395 /nfs/dbraw/zinc/76/83/95/580768395.db2.gz BHACKXFHDHAONU-AAYRVOQFSA-N 1 0 335.400 1.586 20 10 EDCDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nnnn1C1CC1 ZINC000791008173 580782873 /nfs/dbraw/zinc/78/28/73/580782873.db2.gz CZAJIKPTEKPCJD-CQSZACIVSA-N 1 0 341.463 1.611 20 10 EDCDRO COc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)cc1C ZINC000793596094 580848606 /nfs/dbraw/zinc/84/86/06/580848606.db2.gz YWXWVOBBEOCXRE-CYBMUJFWSA-N 1 0 328.434 1.175 20 10 EDCDRO O[C@@]1(Cn2ccnn2)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000794154471 580878045 /nfs/dbraw/zinc/87/80/45/580878045.db2.gz BPXRLFXWTPMMFH-IBGZPJMESA-N 1 0 341.459 1.905 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnn3c2CCC3)[NH+](C)C)cc1 ZINC000891250578 591018893 /nfs/dbraw/zinc/01/88/93/591018893.db2.gz XMNOQDDLOLYXOV-SFHVURJKSA-N 1 0 341.459 1.928 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cnn(C)c2)[NH+](C)C)cc1 ZINC000891256684 591022372 /nfs/dbraw/zinc/02/23/72/591022372.db2.gz ZUIMBOYNWDHOEX-SNMSSPIJSA-N 1 0 341.459 1.918 20 10 EDCDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(OC)c(OC)c3O)[C@H]2C1 ZINC000894615413 591367143 /nfs/dbraw/zinc/36/71/43/591367143.db2.gz JVVUOLSYBBLYTH-LSDHHAIUSA-N 1 0 336.432 1.704 20 10 EDCDRO CN(C)c1ccc([C@@H](CNc2ccnc(C(N)=O)c2)[NH+](C)C)cc1 ZINC000897525270 591528406 /nfs/dbraw/zinc/52/84/06/591528406.db2.gz LYVNMXXAAWYUHN-QGZVFWFLSA-N 1 0 327.432 1.383 20 10 EDCDRO COC(=O)c1c(C[NH2+]C[C@](C)(CO)OC)c2cc(F)ccc2n1C ZINC000895183146 591646206 /nfs/dbraw/zinc/64/62/06/591646206.db2.gz IQDUFCUKPFOLCY-QGZVFWFLSA-N 1 0 338.379 1.591 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCCCO)[NH+](C)C)cc1 ZINC000899101889 591681803 /nfs/dbraw/zinc/68/18/03/591681803.db2.gz JBGUHGMNQSRMKJ-KRWDZBQOSA-N 1 0 336.480 1.817 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000899101633 591682874 /nfs/dbraw/zinc/68/28/74/591682874.db2.gz KEMRPNZAGAMHED-IEBWSBKVSA-N 1 0 348.491 1.816 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)CO)[NH+](C)C)cc1 ZINC000899104152 591684363 /nfs/dbraw/zinc/68/43/63/591684363.db2.gz PYUWNQNZZLRBRV-MRXNPFEDSA-N 1 0 336.480 1.673 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1 ZINC000897041364 591722392 /nfs/dbraw/zinc/72/23/92/591722392.db2.gz LNXZTMDGINBWEH-CQSZACIVSA-N 1 0 334.416 1.254 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897042803 591723000 /nfs/dbraw/zinc/72/30/00/591723000.db2.gz QSAYESUNFWDJSR-KRWDZBQOSA-N 1 0 331.460 1.524 20 10 EDCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1OC ZINC000897229549 591779878 /nfs/dbraw/zinc/77/98/78/591779878.db2.gz UXAMGUZWHCRHCH-OAHLLOKOSA-N 1 0 336.432 1.752 20 10 EDCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1O ZINC000898159331 591807741 /nfs/dbraw/zinc/80/77/41/591807741.db2.gz VERFJDGRMDXKEW-CYBMUJFWSA-N 1 0 330.388 1.655 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])[C@@H]3CCCOC3)cc2)CC1 ZINC000901830892 591844543 /nfs/dbraw/zinc/84/45/43/591844543.db2.gz FEKOJQNCDCFZCG-SJLPKXTDSA-N 1 0 347.459 1.408 20 10 EDCDRO COC[C@@H](C)NC(=S)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899723600 591920846 /nfs/dbraw/zinc/92/08/46/591920846.db2.gz BOJTZKHCDOZHBW-CZUORRHYSA-N 1 0 338.521 1.854 20 10 EDCDRO Cc1cc(C(=O)NCC[N@H+](C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000899730487 591924362 /nfs/dbraw/zinc/92/43/62/591924362.db2.gz ZLYZBOIMVSIFFU-UHFFFAOYSA-N 1 0 333.407 1.887 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1)[C@@H](O)CO2 ZINC000902606151 592023742 /nfs/dbraw/zinc/02/37/42/592023742.db2.gz MVVAOEARPRDOGJ-IFIJOSMWSA-N 1 0 335.400 1.445 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1O ZINC000903400151 592167174 /nfs/dbraw/zinc/16/71/74/592167174.db2.gz RTSZRXXFNRVYQB-NWDGAFQWSA-N 1 0 330.388 1.826 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000904997862 592361492 /nfs/dbraw/zinc/36/14/92/592361492.db2.gz AJIGQUDEKUPSSL-KXBFYZLASA-N 1 0 344.459 1.051 20 10 EDCDRO Cc1c(C[C@H](C[NH3+])CN2CCOc3cc(N(C)C)ccc32)cnn1C ZINC000903905368 592373080 /nfs/dbraw/zinc/37/30/80/592373080.db2.gz DBFJXQKCRQRVEB-OAHLLOKOSA-N 1 0 343.475 1.811 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c(Cl)c1 ZINC000903970351 592396882 /nfs/dbraw/zinc/39/68/82/592396882.db2.gz VTPKEEZEDIBUJJ-NSHDSACASA-N 1 0 332.853 1.220 20 10 EDCDRO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905103558 592406862 /nfs/dbraw/zinc/40/68/62/592406862.db2.gz YFBQDTIYJFZDKH-PMACEKPBSA-N 1 0 348.487 1.915 20 10 EDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccn2)[NH+](C)C)cc1 ZINC000908460245 592501263 /nfs/dbraw/zinc/50/12/63/592501263.db2.gz QFLUAOXPZPCWAK-MRXNPFEDSA-N 1 0 348.472 1.729 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000911231359 592971099 /nfs/dbraw/zinc/97/10/99/592971099.db2.gz ZXDDMZRIZCHFJN-HYVNUMGLSA-N 1 0 344.459 1.158 20 10 EDCDRO COc1ncc(/C=C\C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000911665221 592973548 /nfs/dbraw/zinc/97/35/48/592973548.db2.gz BIDFGUNNZSOTBT-SGNXQUTQSA-N 1 0 341.415 1.381 20 10 EDCDRO COCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000802651898 593268412 /nfs/dbraw/zinc/26/84/12/593268412.db2.gz GJZVXTWMBMQQEQ-ZDUSSCGKSA-N 1 0 340.376 1.936 20 10 EDCDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000840176675 593339024 /nfs/dbraw/zinc/33/90/24/593339024.db2.gz HJCBTSSKILIDND-IBGZPJMESA-N 1 0 340.379 1.750 20 10 EDCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000817369480 593596588 /nfs/dbraw/zinc/59/65/88/593596588.db2.gz AVDXFULKNRAKCC-CYBMUJFWSA-N 1 0 342.395 1.900 20 10 EDCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817888635 593645353 /nfs/dbraw/zinc/64/53/53/593645353.db2.gz NWQDIOAHCBSASC-GDBMZVCRSA-N 1 0 337.439 1.519 20 10 EDCDRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000817919092 593648764 /nfs/dbraw/zinc/64/87/64/593648764.db2.gz PSWILWIXYBPEDO-DOTOQJQBSA-N 1 0 346.475 1.297 20 10 EDCDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818224800 593685450 /nfs/dbraw/zinc/68/54/50/593685450.db2.gz RCGLUOGNLHMRDE-UHFFFAOYSA-N 1 0 326.462 1.438 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NCCC[NH2+]C3CC3)C2)cc1 ZINC000818650674 593710165 /nfs/dbraw/zinc/71/01/65/593710165.db2.gz BEEWHQICZLBBAN-OAHLLOKOSA-N 1 0 346.475 1.963 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)C2)cc1 ZINC000818655113 593710444 /nfs/dbraw/zinc/71/04/44/593710444.db2.gz IWEYTCKRCFNENM-XHSDSOJGSA-N 1 0 346.475 1.900 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3cnn(C)c3)CC2)cc1 ZINC000818955230 593730098 /nfs/dbraw/zinc/73/00/98/593730098.db2.gz OOOGOQIPBVKXGY-QGZVFWFLSA-N 1 0 345.447 1.024 20 10 EDCDRO C[N@H+](CCc1ccccc1)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000821060874 593956409 /nfs/dbraw/zinc/95/64/09/593956409.db2.gz NEKHOWPDGPDVET-UHFFFAOYSA-N 1 0 328.412 1.931 20 10 EDCDRO CN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823542003 594215721 /nfs/dbraw/zinc/21/57/21/594215721.db2.gz AUSPVIATDPAVFK-UHFFFAOYSA-N 1 0 348.491 1.741 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000825973830 594294734 /nfs/dbraw/zinc/29/47/34/594294734.db2.gz RKMARKVBDVBNLX-QGZVFWFLSA-N 1 0 327.432 1.804 20 10 EDCDRO COC(=O)CC[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000828353232 594399043 /nfs/dbraw/zinc/39/90/43/594399043.db2.gz LEKCDDRXSCNHHA-INIZCTEOSA-N 1 0 349.431 1.061 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC(C)=NO3)cc2F)CC1 ZINC000826719662 594563734 /nfs/dbraw/zinc/56/37/34/594563734.db2.gz SLGKDISHOOIDKG-QGZVFWFLSA-N 1 0 348.422 1.749 20 10 EDCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000827259970 594656994 /nfs/dbraw/zinc/65/69/94/594656994.db2.gz NFQOOCNXGWTZRP-LLVKDONJSA-N 1 0 345.365 1.896 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827369580 594665738 /nfs/dbraw/zinc/66/57/38/594665738.db2.gz DOYUGXBPTRPODK-SWLSCSKDSA-N 1 0 335.423 1.401 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)nnn3C)cc1 ZINC000832272667 594739537 /nfs/dbraw/zinc/73/95/37/594739537.db2.gz INSBPJDXOLPIKY-OAHLLOKOSA-N 1 0 338.415 1.464 20 10 EDCDRO COc1ccc(OCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832293180 594740762 /nfs/dbraw/zinc/74/07/62/594740762.db2.gz QYOWAKAQRNNVNI-GOSISDBHSA-N 1 0 343.427 1.956 20 10 EDCDRO Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293647 594740843 /nfs/dbraw/zinc/74/08/43/594740843.db2.gz ZNHRSSAUXZQJRO-GOSISDBHSA-N 1 0 343.475 1.852 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CCCN2CCCS2(=O)=O)c(Cl)c1 ZINC000840888988 594823631 /nfs/dbraw/zinc/82/36/31/594823631.db2.gz CYXBXGONOADNCU-UHFFFAOYSA-N 1 0 332.853 1.869 20 10 EDCDRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(N(C)C)cc1 ZINC000840898596 594825088 /nfs/dbraw/zinc/82/50/88/594825088.db2.gz YRLOUZUIVOMEFH-MRXNPFEDSA-N 1 0 344.463 1.964 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000840934459 594829877 /nfs/dbraw/zinc/82/98/77/594829877.db2.gz RBEYVPVZJKQTHY-QGZVFWFLSA-N 1 0 327.432 1.690 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000840942886 594830951 /nfs/dbraw/zinc/83/09/51/594830951.db2.gz LBQIMUWAALUSTA-RDJZCZTQSA-N 1 0 339.505 1.869 20 10 EDCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000840964444 594833511 /nfs/dbraw/zinc/83/35/11/594833511.db2.gz KJASCSVCIGECDQ-UHFFFAOYSA-N 1 0 342.436 1.329 20 10 EDCDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841001951 594837610 /nfs/dbraw/zinc/83/76/10/594837610.db2.gz XOZXXZUOBKUNGI-KRWDZBQOSA-N 1 0 340.427 1.496 20 10 EDCDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841064291 594846596 /nfs/dbraw/zinc/84/65/96/594846596.db2.gz YGNDMQKRVCYBPM-UHFFFAOYSA-N 1 0 330.388 1.391 20 10 EDCDRO [NH3+]C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000841706433 594940891 /nfs/dbraw/zinc/94/08/91/594940891.db2.gz GFPRHLDWLYOIQH-MRXNPFEDSA-N 1 0 334.489 1.776 20 10 EDCDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729579 594944554 /nfs/dbraw/zinc/94/45/54/594944554.db2.gz HHTOISWZHWCSJH-UHFFFAOYSA-N 1 0 334.464 1.840 20 10 EDCDRO Nc1ccc(CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000841795447 594954327 /nfs/dbraw/zinc/95/43/27/594954327.db2.gz ZMXICCHAHUZPJX-UHFFFAOYSA-N 1 0 346.475 1.756 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000842201758 595036689 /nfs/dbraw/zinc/03/66/89/595036689.db2.gz BLOLYSILRASMPE-QRTARXTBSA-N 1 0 346.475 1.564 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000842208109 595039540 /nfs/dbraw/zinc/03/95/40/595039540.db2.gz REOMVWXNVHIGFZ-HNNXBMFYSA-N 1 0 332.448 1.099 20 10 EDCDRO [NH3+]CCCCCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000843259603 595055880 /nfs/dbraw/zinc/05/58/80/595055880.db2.gz PCNANEXRXOUMNB-UHFFFAOYSA-N 1 0 346.475 1.538 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000842272765 595062993 /nfs/dbraw/zinc/06/29/93/595062993.db2.gz NAIJFRBWLNGFGF-UHFFFAOYSA-N 1 0 344.459 1.137 20 10 EDCDRO COC(=O)c1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nc1 ZINC000843298890 595066671 /nfs/dbraw/zinc/06/66/71/595066671.db2.gz RBOFQSLAILUGOE-OAHLLOKOSA-N 1 0 342.399 1.364 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000843489945 595128111 /nfs/dbraw/zinc/12/81/11/595128111.db2.gz UEMFDLMPFQLYRA-SNVBAGLBSA-N 1 0 340.807 1.688 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Nc3ncccn3)C1)[C@@H](O)CO2 ZINC000842617786 595143799 /nfs/dbraw/zinc/14/37/99/595143799.db2.gz WGUZXSRCLNTAKN-WFASDCNBSA-N 1 0 328.372 1.294 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000846346601 595213188 /nfs/dbraw/zinc/21/31/88/595213188.db2.gz HZFKBPZLSMTXFF-UHFFFAOYSA-N 1 0 347.459 1.766 20 10 EDCDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000834886452 595236859 /nfs/dbraw/zinc/23/68/59/595236859.db2.gz LQBAEJMQIQGLCQ-CQSZACIVSA-N 1 0 340.489 1.997 20 10 EDCDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)O1 ZINC000835043740 595252190 /nfs/dbraw/zinc/25/21/90/595252190.db2.gz YLVRPBILUJBGBI-SLXDBMQSSA-N 1 0 331.460 1.991 20 10 EDCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C(=O)[O-] ZINC000843041608 595271503 /nfs/dbraw/zinc/27/15/03/595271503.db2.gz UICQBYSTYSKPTL-MAUKXSAKSA-N 1 0 331.460 1.981 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(N(C)C)nc2)cc1 ZINC000844163307 595287904 /nfs/dbraw/zinc/28/79/04/595287904.db2.gz YJUYETNOHWLZKC-INIZCTEOSA-N 1 0 327.432 1.643 20 10 EDCDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174353 595291986 /nfs/dbraw/zinc/29/19/86/595291986.db2.gz XMVCCSHPGRJAKM-KRWDZBQOSA-N 1 0 331.460 1.510 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000844175819 595292641 /nfs/dbraw/zinc/29/26/41/595292641.db2.gz JWTKITFLYFSVFE-WBVHZDCISA-N 1 0 344.459 1.147 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH2+]Cc3ccccc32)cc1 ZINC000844220596 595306038 /nfs/dbraw/zinc/30/60/38/595306038.db2.gz YQRXIFHUUJQDNN-UHFFFAOYSA-N 1 0 338.455 1.979 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000846835355 595323412 /nfs/dbraw/zinc/32/34/12/595323412.db2.gz KKVOCARSXHRSNS-MRXNPFEDSA-N 1 0 341.459 1.592 20 10 EDCDRO CCc1cccc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000848897436 595464463 /nfs/dbraw/zinc/46/44/63/595464463.db2.gz IVSQDCZJDZHMRT-HNNXBMFYSA-N 1 0 328.416 1.973 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c1 ZINC000852802140 595549793 /nfs/dbraw/zinc/54/97/93/595549793.db2.gz KTHGXWACPUDGME-GHMZBOCLSA-N 1 0 330.388 1.692 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000852862218 595583104 /nfs/dbraw/zinc/58/31/04/595583104.db2.gz WTAIPLCQIHYHNZ-IAGOWNOFSA-N 1 0 333.432 1.098 20 10 EDCDRO C[C@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000852863305 595584153 /nfs/dbraw/zinc/58/41/53/595584153.db2.gz SYRPWXPBUWHBRL-RRQGHBQHSA-N 1 0 333.432 1.064 20 10 EDCDRO C[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC[NH2+]C1 ZINC000852917190 595613306 /nfs/dbraw/zinc/61/33/06/595613306.db2.gz XBWGGVBKJBIRMD-LJQANCHMSA-N 1 0 331.460 1.654 20 10 EDCDRO C[NH+](C)CCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853211640 595705031 /nfs/dbraw/zinc/70/50/31/595705031.db2.gz BYUUSFVIUZCLFP-UHFFFAOYSA-N 1 0 334.464 1.399 20 10 EDCDRO CNS(=O)(=O)CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232706 595730915 /nfs/dbraw/zinc/73/09/15/595730915.db2.gz CNRDZPZKQUKJTP-UHFFFAOYSA-N 1 0 338.429 1.927 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858311914 595761302 /nfs/dbraw/zinc/76/13/02/595761302.db2.gz PQKZLANBXIMLKO-UHFFFAOYSA-N 1 0 340.493 1.113 20 10 EDCDRO COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858541068 595822855 /nfs/dbraw/zinc/82/28/55/595822855.db2.gz GFAPMCCJPHOKRJ-JQWIXIFHSA-N 1 0 338.379 1.739 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851656223 595870427 /nfs/dbraw/zinc/87/04/27/595870427.db2.gz GNZGDPXQJDWORW-UHFFFAOYSA-N 1 0 344.419 1.015 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000853749562 595870535 /nfs/dbraw/zinc/87/05/35/595870535.db2.gz VZVSAFWSBMMWKE-UHFFFAOYSA-N 1 0 349.523 1.744 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1=CC[NH2+]CC1 ZINC000851663699 595874146 /nfs/dbraw/zinc/87/41/46/595874146.db2.gz GPMNKZANMMELKL-UHFFFAOYSA-N 1 0 344.459 1.367 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000851676344 595880279 /nfs/dbraw/zinc/88/02/79/595880279.db2.gz ILSUGQPSACAHOK-TXKKKEFDSA-N 1 0 330.432 1.325 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000851677318 595881102 /nfs/dbraw/zinc/88/11/02/595881102.db2.gz UKMMLCHYSUARHT-UHFFFAOYSA-N 1 0 332.448 1.525 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000856213330 595927412 /nfs/dbraw/zinc/92/74/12/595927412.db2.gz HYMYNVROUHTOAE-IBGZPJMESA-N 1 0 343.471 1.891 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C[NH+](C)C)C3)C2)cc1 ZINC000854298632 596025916 /nfs/dbraw/zinc/02/59/16/596025916.db2.gz HGIZYOFETQPRTG-HOTGVXAUSA-N 1 0 346.475 1.867 20 10 EDCDRO CCN(C)c1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000859593212 596141008 /nfs/dbraw/zinc/14/10/08/596141008.db2.gz CAUVVTCWSPWQMF-UHFFFAOYSA-N 1 0 342.447 1.670 20 10 EDCDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000857262773 596201359 /nfs/dbraw/zinc/20/13/59/596201359.db2.gz OHKFNUVJWZNQCY-NSHDSACASA-N 1 0 338.379 1.562 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1)cc2=O ZINC000852703816 596230511 /nfs/dbraw/zinc/23/05/11/596230511.db2.gz RBFLTDMQQNNZAA-APPDUMDISA-N 1 0 348.403 1.062 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717088 596307862 /nfs/dbraw/zinc/30/78/62/596307862.db2.gz VNEGXBZWKSUDEN-HKUYNNGSSA-N 1 0 344.503 1.785 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1O ZINC000862463945 596333409 /nfs/dbraw/zinc/33/34/09/596333409.db2.gz PEYJJHUMRMYWSD-IBGZPJMESA-N 1 0 334.460 1.660 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000862463931 596333930 /nfs/dbraw/zinc/33/39/30/596333930.db2.gz OYGLMEBCPADJJB-FQEVSTJZSA-N 1 0 347.503 1.766 20 10 EDCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863772568 596682410 /nfs/dbraw/zinc/68/24/10/596682410.db2.gz XRXGNLMGPPWKAC-KRWDZBQOSA-N 1 0 346.475 1.167 20 10 EDCDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1Cn1cccn1 ZINC000873118819 597201542 /nfs/dbraw/zinc/20/15/42/597201542.db2.gz UWDUWJQFSIUUOB-UHFFFAOYSA-N 1 0 349.456 1.607 20 10 EDCDRO CCO[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000876506455 597224619 /nfs/dbraw/zinc/22/46/19/597224619.db2.gz LDDRNBYARGDRRL-MSOLQXFVSA-N 1 0 349.475 1.700 20 10 EDCDRO [NH3+]C[C@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCOC1 ZINC000876730353 597310970 /nfs/dbraw/zinc/31/09/70/597310970.db2.gz HQIBBFZXHMNMCJ-GOSISDBHSA-N 1 0 349.500 1.612 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@]3(C[NH3+])CCCOC3)C2)cc1 ZINC000876930768 597388932 /nfs/dbraw/zinc/38/89/32/597388932.db2.gz CTAGONBNGQWAQK-DNVCBOLYSA-N 1 0 347.459 1.393 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)C[C@@H](OC)C[NH2+]3)C2)cc1 ZINC000876959720 597397232 /nfs/dbraw/zinc/39/72/32/597397232.db2.gz NUGZRYIETBHLLB-XCRHUMRWSA-N 1 0 333.432 1.157 20 10 EDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000877030458 597416835 /nfs/dbraw/zinc/41/68/35/597416835.db2.gz HRXLRAPITVAFIY-UKRRQHHQSA-N 1 0 340.514 1.905 20 10 EDCDRO COC1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877158785 597447351 /nfs/dbraw/zinc/44/73/51/597447351.db2.gz XWVLFMPRXQSOFI-UHFFFAOYSA-N 1 0 347.503 1.848 20 10 EDCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](n4cncn4)C3)cc2)CC1 ZINC000877424138 597513162 /nfs/dbraw/zinc/51/31/62/597513162.db2.gz GXKGDTSWGHPAAQ-KRWDZBQOSA-N 1 0 327.432 1.686 20 10 EDCDRO C[C@]12C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@]1(C)C(=O)NC2=O ZINC000877669245 597546424 /nfs/dbraw/zinc/54/64/24/597546424.db2.gz ZSRJAAFXRTWNAS-RTBURBONSA-N 1 0 343.427 1.008 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CCOCC3)cc2)CC1 ZINC000883160515 597671960 /nfs/dbraw/zinc/67/19/60/597671960.db2.gz SLFMKQGNYIOYHE-UHFFFAOYSA-N 1 0 332.448 1.417 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000879647352 597674045 /nfs/dbraw/zinc/67/40/45/597674045.db2.gz BHUNJLJXDDDDFI-ZIAGYGMSSA-N 1 0 342.395 1.999 20 10 EDCDRO COCc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000881850641 597753743 /nfs/dbraw/zinc/75/37/43/597753743.db2.gz ALRDGBUCGPNIGI-UHFFFAOYSA-N 1 0 344.415 1.503 20 10 EDCDRO CCn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881851491 597754589 /nfs/dbraw/zinc/75/45/89/597754589.db2.gz LBBQFPOKHSPIKZ-UHFFFAOYSA-N 1 0 327.432 1.585 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ncccc3N)cc2)CC1 ZINC000881855494 597757227 /nfs/dbraw/zinc/75/72/27/597757227.db2.gz XQWPCCWVQTTZMX-UHFFFAOYSA-N 1 0 325.416 1.346 20 10 EDCDRO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000883631863 597838591 /nfs/dbraw/zinc/83/85/91/597838591.db2.gz GYALVZGMTCHCAY-UHFFFAOYSA-N 1 0 332.448 1.932 20 10 EDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000883716830 597874256 /nfs/dbraw/zinc/87/42/56/597874256.db2.gz SWHRWKCCMGJOFH-ZBFHGGJFSA-N 1 0 332.448 1.667 20 10 EDCDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000880426756 597929460 /nfs/dbraw/zinc/92/94/60/597929460.db2.gz WZRUBNMGZGMLQP-QZTJIDSGSA-N 1 0 349.475 1.447 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[NH2+]CC3(C)C)CC2)cc1 ZINC000884197927 598025067 /nfs/dbraw/zinc/02/50/67/598025067.db2.gz IYKPVWAIAONKTG-KRWDZBQOSA-N 1 0 331.460 1.980 20 10 EDCDRO O=C(NCCCC[NH+]1CCOCC1)NCc1c(O)cccc1F ZINC000914098005 695094680 /nfs/dbraw/zinc/09/46/80/695094680.db2.gz RRGTUSQENHHQOM-UHFFFAOYSA-N 1 0 325.384 1.443 20 10 EDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000154186792 696786582 /nfs/dbraw/zinc/78/65/82/696786582.db2.gz JIPJMHIEWKYTAA-IBGZPJMESA-N 1 0 335.492 1.658 20 10 EDCDRO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918904810 697222126 /nfs/dbraw/zinc/22/21/26/697222126.db2.gz BNQFQIXNHBHXKD-FHLIZLRMSA-N 1 0 331.460 1.726 20 10 EDCDRO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179569923 698234459 /nfs/dbraw/zinc/23/44/59/698234459.db2.gz MBJHJVDPRFHDET-OAHLLOKOSA-N 1 0 335.448 1.051 20 10 EDCDRO Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(=O)n(C)c1=O ZINC000093319318 704079781 /nfs/dbraw/zinc/07/97/81/704079781.db2.gz KIDBRMQAAXGQRJ-UHFFFAOYSA-N 1 0 343.427 1.734 20 10 EDCDRO COc1ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)cc1Cn1cccn1 ZINC000922779870 704332875 /nfs/dbraw/zinc/33/28/75/704332875.db2.gz BSAXZXAYDPIDBL-HNNXBMFYSA-N 1 0 328.416 1.556 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)cc1C ZINC000999089077 706507529 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/nfs/dbraw/zinc/71/06/96/593710696.db2.gz YJOSRRIREBBTKX-XHSDSOJGSA-N 1 0 346.475 1.961 20 10 EDCDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122123 593740052 /nfs/dbraw/zinc/74/00/52/593740052.db2.gz QYWXDQFCRQFFIT-MRXNPFEDSA-N 1 0 340.439 1.662 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000819376889 593752551 /nfs/dbraw/zinc/75/25/51/593752551.db2.gz JVMFHTKWXCZDNM-LPHOPBHVSA-N 1 0 335.492 1.275 20 10 EDCDRO COCC(C)(C)[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000819895601 593774881 /nfs/dbraw/zinc/77/48/81/593774881.db2.gz PTUFROPGQHSDOO-UHFFFAOYSA-N 1 0 338.448 1.952 20 10 EDCDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000103855624 594000027 /nfs/dbraw/zinc/00/00/27/594000027.db2.gz YWHQUADZIKOOFD-UHFFFAOYSA-N 1 0 326.462 1.994 20 10 EDCDRO O[C@]1(C(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000824726862 594062711 /nfs/dbraw/zinc/06/27/11/594062711.db2.gz XKRSCXGTJHIBNL-MRXNPFEDSA-N 1 0 330.350 1.864 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000823247769 594175492 /nfs/dbraw/zinc/17/54/92/594175492.db2.gz KCHOABHKBGOZNJ-NVXWUHKLSA-N 1 0 346.475 1.915 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000825942920 594286832 /nfs/dbraw/zinc/28/68/32/594286832.db2.gz PCCMVISVHJQMSN-MQVJKMGUSA-N 1 0 329.444 1.526 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000825942765 594287040 /nfs/dbraw/zinc/28/70/40/594287040.db2.gz JZAZOLCTLPPXDD-UHFFFAOYSA-N 1 0 330.436 1.355 20 10 EDCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2OC)cc1-c1nn[nH]n1 ZINC000826202763 594376655 /nfs/dbraw/zinc/37/66/55/594376655.db2.gz MGMFNZOILATJMI-UHFFFAOYSA-N 1 0 341.371 1.879 20 10 EDCDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CC1 ZINC000830544354 594418681 /nfs/dbraw/zinc/41/86/81/594418681.db2.gz ORUWPENWZQHNEQ-ZBFHGGJFSA-N 1 0 338.835 1.897 20 10 EDCDRO [NH3+]CCCCCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000831110498 594558535 /nfs/dbraw/zinc/55/85/35/594558535.db2.gz QXOYNXHLYZHFER-UHFFFAOYSA-N 1 0 334.464 1.842 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)CC3(C[NH3+])CC3)CC2)cc1 ZINC000829499898 594626758 /nfs/dbraw/zinc/62/67/58/594626758.db2.gz GZPZUPKYXCEZAF-UHFFFAOYSA-N 1 0 346.475 1.062 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827468872 594675033 /nfs/dbraw/zinc/67/50/33/594675033.db2.gz GARIYKAFTXZXQL-JLJPHGGASA-N 1 0 344.459 1.003 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000827469286 594675209 /nfs/dbraw/zinc/67/52/09/594675209.db2.gz TWJRRNYXRAFXNX-OAHLLOKOSA-N 1 0 344.459 1.276 20 10 EDCDRO CCC(=O)N1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272646 594739447 /nfs/dbraw/zinc/73/94/47/594739447.db2.gz HZUIUABELYOYAH-IRXDYDNUSA-N 1 0 346.475 1.660 20 10 EDCDRO C[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273315 594739590 /nfs/dbraw/zinc/73/95/90/594739590.db2.gz NHUCUKAQDNJUFB-CXAGYDPISA-N 1 0 346.475 1.564 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000832284336 594740276 /nfs/dbraw/zinc/74/02/76/594740276.db2.gz IXVNQBFZPUDEAD-HNNXBMFYSA-N 1 0 327.384 1.911 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CNC(=O)C2CCCCC2)cc1 ZINC000832293434 594740723 /nfs/dbraw/zinc/74/07/23/594740723.db2.gz WSMGAUOLRSZSSO-QGZVFWFLSA-N 1 0 346.475 1.565 20 10 EDCDRO CC(C)CN1C[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1=O ZINC000832299510 594741247 /nfs/dbraw/zinc/74/12/47/594741247.db2.gz BUFYRCRKYJPSNX-WBVHZDCISA-N 1 0 346.475 1.373 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000840976275 594834305 /nfs/dbraw/zinc/83/43/05/594834305.db2.gz NXTJOVDBENYDCV-CQSZACIVSA-N 1 0 344.459 1.179 20 10 EDCDRO C[C@@H]1C[NH+](CCCNC(=O)NCCc2ccc(N)cc2)C[C@@H](C)O1 ZINC000841676322 594934267 /nfs/dbraw/zinc/93/42/67/594934267.db2.gz URJARBJJTNWLTJ-HUUCEWRRSA-N 1 0 334.464 1.610 20 10 EDCDRO C[C@H](NC(=O)NC1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000841741248 594946236 /nfs/dbraw/zinc/94/62/36/594946236.db2.gz MLWIPNUQXPVEAZ-AWEZNQCLSA-N 1 0 332.448 1.635 20 10 EDCDRO CC[NH2+]CCCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742627 594946633 /nfs/dbraw/zinc/94/66/33/594946633.db2.gz YOLDEWRNDOMMMN-OAHLLOKOSA-N 1 0 334.464 1.883 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000841792785 594953896 /nfs/dbraw/zinc/95/38/96/594953896.db2.gz GBJKLUWPUVDFSF-PIIMJCKOSA-N 1 0 328.460 1.940 20 10 EDCDRO CCC[NH2+]CCNC(=O)NCc1cc(Br)ccc1O ZINC000841965435 594990787 /nfs/dbraw/zinc/99/07/87/594990787.db2.gz TWNCBUZLHDADPN-UHFFFAOYSA-N 1 0 330.226 1.954 20 10 EDCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCSc1nccs1 ZINC000842092713 595016240 /nfs/dbraw/zinc/01/62/40/595016240.db2.gz LZRQZPLZTHPTBB-LLVKDONJSA-N 1 0 344.506 1.231 20 10 EDCDRO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150175 595023885 /nfs/dbraw/zinc/02/38/85/595023885.db2.gz OEJCTGXNLZFBEK-UHFFFAOYSA-N 1 0 346.475 1.190 20 10 EDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170067 595028473 /nfs/dbraw/zinc/02/84/73/595028473.db2.gz ADUOJYLXIUHHNH-INIZCTEOSA-N 1 0 344.459 1.169 20 10 EDCDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000842251896 595055819 /nfs/dbraw/zinc/05/58/19/595055819.db2.gz SVUCYHLASHJWHI-KRWDZBQOSA-N 1 0 348.491 1.589 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000842267274 595060922 /nfs/dbraw/zinc/06/09/22/595060922.db2.gz WZVAPSOTRJJBKO-HOCLYGCPSA-N 1 0 347.459 1.635 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NCC2([NH3+])CCC2)C2CC2)cc1 ZINC000842267884 595060995 /nfs/dbraw/zinc/06/09/95/595060995.db2.gz KIKCIFGLUQLNIG-UHFFFAOYSA-N 1 0 344.459 1.241 20 10 EDCDRO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297331 595065651 /nfs/dbraw/zinc/06/56/51/595065651.db2.gz HLWLREBALSORJH-DLBZAZTESA-N 1 0 332.448 1.270 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000843299852 595066893 /nfs/dbraw/zinc/06/68/93/595066893.db2.gz XZMZHVBPPSOLSR-AWEZNQCLSA-N 1 0 331.376 1.429 20 10 EDCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842477572 595115172 /nfs/dbraw/zinc/11/51/72/595115172.db2.gz AIKQWUDUTYHICD-HNNXBMFYSA-N 1 0 347.394 1.621 20 10 EDCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000843488143 595127149 /nfs/dbraw/zinc/12/71/49/595127149.db2.gz RNZUAYKBBRMQEU-JZXOWHBKSA-N 1 0 331.460 1.998 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843489640 595128056 /nfs/dbraw/zinc/12/80/56/595128056.db2.gz QVADDWVIERYDCZ-JYAVWHMHSA-N 1 0 338.791 1.013 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1OC ZINC000842617801 595143774 /nfs/dbraw/zinc/14/37/74/595143774.db2.gz WSEHMJKWSMBFDW-CYBMUJFWSA-N 1 0 330.388 1.886 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c1O ZINC000846139064 595154702 /nfs/dbraw/zinc/15/47/02/595154702.db2.gz PHEJIFAPKVRZAK-NSHDSACASA-N 1 0 328.434 1.475 20 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KCNBJPJXFZOQCD-UHFFFAOYSA-N 1 0 343.427 1.877 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000846662234 595295165 /nfs/dbraw/zinc/29/51/65/595295165.db2.gz OKTFXPBTCMBWDY-SFHVURJKSA-N 1 0 332.492 1.914 20 10 EDCDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000846720384 595306844 /nfs/dbraw/zinc/30/68/44/595306844.db2.gz BOGKRBKAEXEOEB-UHFFFAOYSA-N 1 0 348.491 1.463 20 10 EDCDRO COC1CCN(c2ccc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000847049415 595357012 /nfs/dbraw/zinc/35/70/12/595357012.db2.gz PSOICXHITZBAIL-RBUKOAKNSA-N 1 0 345.487 1.553 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848524677 595402511 /nfs/dbraw/zinc/40/25/11/595402511.db2.gz VIMSAJMYKPGADP-HXUWFJFHSA-N 1 0 345.487 1.866 20 10 EDCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c1O ZINC000848527358 595403166 /nfs/dbraw/zinc/40/31/66/595403166.db2.gz AFZJKPQKNMNITB-KOLCDFICSA-N 1 0 347.253 1.736 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000844923385 595415051 /nfs/dbraw/zinc/41/50/51/595415051.db2.gz FVQYJOLGGZBUFO-INIZCTEOSA-N 1 0 334.464 1.867 20 10 EDCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000847506366 595437264 /nfs/dbraw/zinc/43/72/64/595437264.db2.gz AMVNCXGEWYUVBG-MRXNPFEDSA-N 1 0 345.487 1.853 20 10 EDCDRO CCc1cccc(CN2CCN(C(=O)C[NH+](CC)CC)CC2)c1O ZINC000848885951 595462974 /nfs/dbraw/zinc/46/29/74/595462974.db2.gz PHYGUYIHMXROGT-UHFFFAOYSA-N 1 0 333.476 1.941 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000848910248 595466389 /nfs/dbraw/zinc/46/63/89/595466389.db2.gz GVDPMNDKYCTALA-KBXCAEBGSA-N 1 0 331.416 1.907 20 10 EDCDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000849069516 595477333 /nfs/dbraw/zinc/47/73/33/595477333.db2.gz PGGNEEWYIRSACH-HIFRSBDPSA-N 1 0 347.463 1.037 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C1 ZINC000849069869 595477450 /nfs/dbraw/zinc/47/74/50/595477450.db2.gz YPVWAFGOHMAGMC-MRXNPFEDSA-N 1 0 343.475 1.899 20 10 EDCDRO CN(C(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000849079718 595479157 /nfs/dbraw/zinc/47/91/57/595479157.db2.gz IWSGFEMOWGWCFO-AWEZNQCLSA-N 1 0 329.448 1.507 20 10 EDCDRO CC[C@H]([NH2+]C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000852885157 595597663 /nfs/dbraw/zinc/59/76/63/595597663.db2.gz OASAKEWRJOBQSH-LBPRGKRZSA-N 1 0 328.796 1.545 20 10 EDCDRO COc1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850012910 595718055 /nfs/dbraw/zinc/71/80/55/595718055.db2.gz RTXKXFGXYUJPDY-LBPRGKRZSA-N 1 0 327.446 1.975 20 10 EDCDRO COc1ccc(N2CCN(CCNc3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858366754 595776018 /nfs/dbraw/zinc/77/60/18/595776018.db2.gz BAMHBGSKDWJERZ-UHFFFAOYSA-N 1 0 342.443 1.817 20 10 EDCDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406637 595828971 /nfs/dbraw/zinc/82/89/71/595828971.db2.gz NWYGEGMWTPGZJB-FSPWUOQZSA-N 1 0 332.444 1.935 20 10 EDCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851664360 595874716 /nfs/dbraw/zinc/87/47/16/595874716.db2.gz XZFCAJLCXKHREC-KBXCAEBGSA-N 1 0 346.475 1.445 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncc[nH]3)CC2)cc1 ZINC000854310495 596031898 /nfs/dbraw/zinc/03/18/98/596031898.db2.gz TWPOQHIIWGHWNA-UHFFFAOYSA-N 1 0 343.431 1.360 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000861647996 596057103 /nfs/dbraw/zinc/05/71/03/596057103.db2.gz OVYRKBKEQXVEDL-JCGIZDLHSA-N 1 0 346.475 1.961 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000861767586 596096102 /nfs/dbraw/zinc/09/61/02/596096102.db2.gz SXMDXMXNQSHEPB-GDBMZVCRSA-N 1 0 346.475 1.406 20 10 EDCDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000854570626 596123197 /nfs/dbraw/zinc/12/31/97/596123197.db2.gz RHGZICHFLQZWAX-LYKUJDHUSA-N 1 0 346.427 1.823 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000852584453 596205516 /nfs/dbraw/zinc/20/55/16/596205516.db2.gz NNEYNXTXJBEVHX-IAGOWNOFSA-N 1 0 331.460 1.604 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCCCC[C@H]([NH3+])C2)cc1 ZINC000866670107 596286857 /nfs/dbraw/zinc/28/68/57/596286857.db2.gz AQQYLGGDJVEFCQ-KRWDZBQOSA-N 1 0 332.492 1.914 20 10 EDCDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862400044 596321122 /nfs/dbraw/zinc/32/11/22/596321122.db2.gz LCCAZUKENKYYHF-GFCCVEGCSA-N 1 0 340.418 1.583 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000862550992 596344345 /nfs/dbraw/zinc/34/43/45/596344345.db2.gz IYOJQLKXHLRWLQ-GFCCVEGCSA-N 1 0 328.434 1.162 20 10 EDCDRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863547096 596613968 /nfs/dbraw/zinc/61/39/68/596613968.db2.gz HVNVAXSRDWEALS-GOSISDBHSA-N 1 0 332.492 1.641 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)c2ccc(N)cc2)C1 ZINC000863558475 596618123 /nfs/dbraw/zinc/61/81/23/596618123.db2.gz KGYZJQBJBWJYOG-KRWDZBQOSA-N 1 0 334.464 1.178 20 10 EDCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000863751555 596673392 /nfs/dbraw/zinc/67/33/92/596673392.db2.gz JTRAPKCZSJXNRV-CYBMUJFWSA-N 1 0 332.448 1.049 20 10 EDCDRO Cc1cn2c(n1)C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000876506586 597224269 /nfs/dbraw/zinc/22/42/69/597224269.db2.gz MANUHCGHTDYDSK-RDJZCZTQSA-N 1 0 341.459 1.636 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(F)(F)C2CCOCC2)cc1 ZINC000876506381 597224692 /nfs/dbraw/zinc/22/46/92/597224692.db2.gz ITXCJWOUTAYGNM-OAHLLOKOSA-N 1 0 341.402 1.931 20 10 EDCDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCc1ccc(N)cc1 ZINC000876527622 597230793 /nfs/dbraw/zinc/23/07/93/597230793.db2.gz CINXARGNAHXXPI-MRXNPFEDSA-N 1 0 327.432 1.671 20 10 EDCDRO COCCC[N@H+](Cc1c(C)cccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876546917 597235037 /nfs/dbraw/zinc/23/50/37/597235037.db2.gz AANJIWAZXNPNNY-CQSZACIVSA-N 1 0 327.446 1.726 20 10 EDCDRO O=C1CCCN1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876895736 597375037 /nfs/dbraw/zinc/37/50/37/597375037.db2.gz KBBITDUNUWTJFY-UHFFFAOYSA-N 1 0 331.460 1.750 20 10 EDCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCCN1 ZINC000876965282 597400391 /nfs/dbraw/zinc/40/03/91/597400391.db2.gz GDNAQIAAHOYHPM-QGZVFWFLSA-N 1 0 331.460 1.654 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876976081 597402753 /nfs/dbraw/zinc/40/27/53/597402753.db2.gz NBYBZHKIEHQKSC-QUCCMNQESA-N 1 0 343.471 1.796 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+]CCN3CCSCC3)cc2)CC1 ZINC000877150567 597443863 /nfs/dbraw/zinc/44/38/63/597443863.db2.gz WGLJRTJEVUXULP-UHFFFAOYSA-N 1 0 335.517 1.786 20 10 EDCDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877471898 597521231 /nfs/dbraw/zinc/52/12/31/597521231.db2.gz DPBYQBGESPBZIH-GOSISDBHSA-N 1 0 343.471 1.844 20 10 EDCDRO Cc1cccc(O)c1C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000877540577 597532968 /nfs/dbraw/zinc/53/29/68/597532968.db2.gz CUSYGQRVUOPSMJ-UHFFFAOYSA-N 1 0 327.450 1.015 20 10 EDCDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877626069 597542611 /nfs/dbraw/zinc/54/26/11/597542611.db2.gz RGEUMBRPAPKBQV-QGZVFWFLSA-N 1 0 345.443 1.674 20 10 EDCDRO CONC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877787543 597556419 /nfs/dbraw/zinc/55/64/19/597556419.db2.gz OBDDXTVDXADILK-UHFFFAOYSA-N 1 0 333.432 1.413 20 10 EDCDRO Cc1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000877992866 597568386 /nfs/dbraw/zinc/56/83/86/597568386.db2.gz SFZAVIXTGRFBCM-UHFFFAOYSA-N 1 0 342.447 1.802 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1C ZINC000883372285 597726160 /nfs/dbraw/zinc/72/61/60/597726160.db2.gz VDUNFGXZSCCDFN-LJQANCHMSA-N 1 0 347.503 1.890 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(CCC[NH3+])CC(F)(F)F)cc1 ZINC000883443997 597749188 /nfs/dbraw/zinc/74/91/88/597749188.db2.gz RSKGQJUEAKJQTL-UHFFFAOYSA-N 1 0 346.397 1.582 20 10 EDCDRO C[C@@H]1CC[C@@H](C[NH3+])N(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000883446433 597750250 /nfs/dbraw/zinc/75/02/50/597750250.db2.gz DMMQEHKBJUHSRK-VKJFTORMSA-N 1 0 332.492 1.817 20 10 EDCDRO COC(=O)NCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851117 597753843 /nfs/dbraw/zinc/75/38/43/597753843.db2.gz DUNNFXGMCRCGBB-UHFFFAOYSA-N 1 0 348.447 1.191 20 10 EDCDRO COc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000881854579 597756381 /nfs/dbraw/zinc/75/63/81/597756381.db2.gz HOWFGJHIWHUKPG-UHFFFAOYSA-N 1 0 329.400 1.970 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNc3nc(N)nc(C(F)F)n3)cc2)CC1 ZINC000882879653 598093817 /nfs/dbraw/zinc/09/38/17/598093817.db2.gz GNGCILAIZZGCKR-UHFFFAOYSA-N 1 0 349.389 1.755 20 10 EDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000914336482 695368924 /nfs/dbraw/zinc/36/89/24/695368924.db2.gz ZAEUFEQLYBYTLF-UHFFFAOYSA-N 1 0 332.448 1.417 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)NC2CN(CC[C@@H]3CCCO3)C2)cc1 ZINC001031464395 697144210 /nfs/dbraw/zinc/14/42/10/697144210.db2.gz QLNBAAOWYDGYDM-HNNXBMFYSA-N 1 0 345.403 1.832 20 10 EDCDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000921077057 697510772 /nfs/dbraw/zinc/51/07/72/697510772.db2.gz DWFVEFPLIBGRFN-NSHDSACASA-N 1 0 343.449 1.224 20 10 EDCDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922539906 703959803 /nfs/dbraw/zinc/95/98/03/703959803.db2.gz NXGRZNAMZFMROD-LJQANCHMSA-N 1 0 333.476 1.460 20 10 EDCDRO CC[C@@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000129051003 529519236 /nfs/dbraw/zinc/51/92/36/529519236.db2.gz ZSCWXYBGSDRDGS-SFHVURJKSA-N 1 0 335.423 1.811 20 10 EDCDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000176982094 237365571 /nfs/dbraw/zinc/36/55/71/237365571.db2.gz VOZSITGNLDEXBI-NSHDSACASA-N 1 0 330.425 1.996 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2C(=[NH2+])NO)cc1 ZINC000374171894 250255606 /nfs/dbraw/zinc/25/56/06/250255606.db2.gz GRKBAYZXEGIVRE-INIZCTEOSA-N 1 0 347.463 1.522 20 10 EDCDRO CCC(=O)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092186980 441775702 /nfs/dbraw/zinc/77/57/02/441775702.db2.gz VGIGEKUNYINESW-UHFFFAOYSA-N 1 0 331.460 1.968 20 10 EDCDRO COc1cccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c1O ZINC000122288843 441844149 /nfs/dbraw/zinc/84/41/49/441844149.db2.gz PUVZWFGNTLFKAB-UHFFFAOYSA-N 1 0 342.442 1.530 20 10 EDCDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000181263911 442687165 /nfs/dbraw/zinc/68/71/65/442687165.db2.gz GYQIQRLYGMYYLN-HNNXBMFYSA-N 1 0 333.432 1.033 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181297354 442689244 /nfs/dbraw/zinc/68/92/44/442689244.db2.gz GOXXDBGBZHPBAO-CYBMUJFWSA-N 1 0 335.423 1.839 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH+]ccc1N ZINC000188040965 442704733 /nfs/dbraw/zinc/70/47/33/442704733.db2.gz WVXJSYBLWYWEMU-UHFFFAOYSA-N 1 0 326.400 1.773 20 10 EDCDRO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000187202788 442660232 /nfs/dbraw/zinc/66/02/32/442660232.db2.gz YYWNKUQHMPRMHV-UHFFFAOYSA-N 1 0 344.459 1.584 20 10 EDCDRO C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000265869581 442951778 /nfs/dbraw/zinc/95/17/78/442951778.db2.gz MCCZRAULKBPACN-UHFFFAOYSA-N 1 0 329.784 1.500 20 10 EDCDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184994792 443114362 /nfs/dbraw/zinc/11/43/62/443114362.db2.gz URBLBMKANFUVHA-LLVKDONJSA-N 1 0 325.840 1.907 20 10 EDCDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000269264628 443257957 /nfs/dbraw/zinc/25/79/57/443257957.db2.gz YMNDMNZTVGATDV-ZIAGYGMSSA-N 1 0 335.423 1.530 20 10 EDCDRO OC[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOc2ccccc21 ZINC000282528874 443365566 /nfs/dbraw/zinc/36/55/66/443365566.db2.gz YWMCKXGGTZRAPY-GOSISDBHSA-N 1 0 329.352 1.881 20 10 EDCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000278758174 443427107 /nfs/dbraw/zinc/42/71/07/443427107.db2.gz SWSQRPCJVIBZKU-XJKSGUPXSA-N 1 0 325.405 1.247 20 10 EDCDRO CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(OC)c(OC)cc1O ZINC000271763754 443512804 /nfs/dbraw/zinc/51/28/04/443512804.db2.gz FDTZEAYIKTZJFS-LLVKDONJSA-N 1 0 331.434 1.664 20 10 EDCDRO CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273361315 443568290 /nfs/dbraw/zinc/56/82/90/443568290.db2.gz DAZBTBVZLHMOMP-CQSZACIVSA-N 1 0 336.436 1.979 20 10 EDCDRO C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CC[NH+](C)CC1 ZINC000273579548 443582678 /nfs/dbraw/zinc/58/26/78/443582678.db2.gz MHTNHQCKURFBFD-ZIAGYGMSSA-N 1 0 336.436 1.835 20 10 EDCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000273703619 443585321 /nfs/dbraw/zinc/58/53/21/443585321.db2.gz DXZNGAQSQBIHAI-JTQLQIEISA-N 1 0 348.852 1.555 20 10 EDCDRO COc1cc(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)cc1OC ZINC000291830505 443768788 /nfs/dbraw/zinc/76/87/88/443768788.db2.gz FXIZMSOKOXZZQJ-LLVKDONJSA-N 1 0 329.418 1.276 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000529645186 320586872 /nfs/dbraw/zinc/58/68/72/320586872.db2.gz RIVVHGWXLBNRJM-SFHVURJKSA-N 1 0 336.432 1.106 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(C(C)=O)CC3)cc2F)CC1 ZINC000292962872 443889885 /nfs/dbraw/zinc/88/98/85/443889885.db2.gz AMVRCYQPWOONPN-UHFFFAOYSA-N 1 0 347.434 1.953 20 10 EDCDRO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)[N@H+]1C ZINC000293307678 443978780 /nfs/dbraw/zinc/97/87/80/443978780.db2.gz FIJIGAZIAJLVQX-IYBDPMFKSA-N 1 0 332.492 1.735 20 10 EDCDRO COc1c(O)c(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278202543 444117276 /nfs/dbraw/zinc/11/72/76/444117276.db2.gz JBYURVIGQHMMPE-VXGBXAGGSA-N 1 0 339.392 1.196 20 10 EDCDRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000294683912 444135818 /nfs/dbraw/zinc/13/58/18/444135818.db2.gz BVEJTEZKTKTAIA-SFHVURJKSA-N 1 0 347.436 1.698 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289786765 444203209 /nfs/dbraw/zinc/20/32/09/444203209.db2.gz RVSIEVZVAVNUPS-UGSOOPFHSA-N 1 0 347.415 1.744 20 10 EDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000290050171 444236031 /nfs/dbraw/zinc/23/60/31/444236031.db2.gz TZCBGGCCEQMPLQ-QZTJIDSGSA-N 1 0 331.460 1.870 20 10 EDCDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccc(N)cc3)cc2)CC1 ZINC000297220636 444277990 /nfs/dbraw/zinc/27/79/90/444277990.db2.gz OBKBSXCXXPCCPS-UHFFFAOYSA-N 1 0 338.455 1.946 20 10 EDCDRO Cn1ccnc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)c1=O ZINC000328622283 444397396 /nfs/dbraw/zinc/39/73/96/444397396.db2.gz BBEVIDAPOKYWGA-UHFFFAOYSA-N 1 0 340.427 1.474 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000359812337 445440716 /nfs/dbraw/zinc/44/07/16/445440716.db2.gz VUWASOYJGHDBFA-AWEZNQCLSA-N 1 0 342.443 1.265 20 10 EDCDRO COc1ccc(N2CCC(N(C)C(=O)CCn3ccnn3)CC2)cc1 ZINC000364500486 445927692 /nfs/dbraw/zinc/92/76/92/445927692.db2.gz DDBKNBJEKFEPBD-UHFFFAOYSA-N 1 0 343.431 1.804 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000366282658 446126930 /nfs/dbraw/zinc/12/69/30/446126930.db2.gz LAVXOFKRAOIOLA-GOSISDBHSA-N 1 0 329.444 1.481 20 10 EDCDRO O=C1NC[C@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@@H]12 ZINC000365661702 446291153 /nfs/dbraw/zinc/29/11/53/446291153.db2.gz RGHPFWYWVIRLMJ-CMPLNLGQSA-N 1 0 325.206 1.723 20 10 EDCDRO CN1CCc2cc(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000376342493 446440985 /nfs/dbraw/zinc/44/09/85/446440985.db2.gz XWAFTRODMAQFDN-HNNXBMFYSA-N 1 0 328.460 1.962 20 10 EDCDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000376413843 446484032 /nfs/dbraw/zinc/48/40/32/446484032.db2.gz JVBYHSYLUZEYRB-QGZVFWFLSA-N 1 0 333.476 1.412 20 10 EDCDRO COc1ccc(N2CCC([N@H+](C)CCN3C(=O)CCC3=O)CC2)cc1 ZINC000370865189 446489242 /nfs/dbraw/zinc/48/92/42/446489242.db2.gz ODUXILIWYFHYSV-UHFFFAOYSA-N 1 0 345.443 1.745 20 10 EDCDRO CC(C)(C)NC(=O)CN1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000371529198 446915665 /nfs/dbraw/zinc/91/56/65/446915665.db2.gz QUQUBIWNROUXMT-UHFFFAOYSA-N 1 0 337.439 1.954 20 10 EDCDRO Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000375737999 447013625 /nfs/dbraw/zinc/01/36/25/447013625.db2.gz ISUMLCSHXHWQIR-ALOPSCKCSA-N 1 0 331.460 1.874 20 10 EDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000372035055 446983144 /nfs/dbraw/zinc/98/31/44/446983144.db2.gz ANVFRTMIPXXYDA-CYBMUJFWSA-N 1 0 334.351 1.747 20 10 EDCDRO Cn1cccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000738430825 578528384 /nfs/dbraw/zinc/52/83/84/578528384.db2.gz QLFUEQPHHRTUHK-UHFFFAOYSA-N 1 0 333.457 1.550 20 10 EDCDRO Fc1cc(C[NH2+][C@@H]2CCc3nccn3C2)ccc1N1CCOCC1 ZINC000727469731 578529700 /nfs/dbraw/zinc/52/97/00/578529700.db2.gz DLJAHETYYYLIAK-OAHLLOKOSA-N 1 0 330.407 1.963 20 10 EDCDRO CC(C)[NH2+][C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000731032826 578666534 /nfs/dbraw/zinc/66/65/34/578666534.db2.gz PQMAOKZLHQJBOJ-KRWDZBQOSA-N 1 0 332.492 1.831 20 10 EDCDRO CNC(=O)CCOC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000751953167 579830127 /nfs/dbraw/zinc/83/01/27/579830127.db2.gz STAYURATAUYOBF-UHFFFAOYSA-N 1 0 336.388 1.238 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c(O)c1C ZINC000756608811 579953456 /nfs/dbraw/zinc/95/34/56/579953456.db2.gz QXBVKHYWKXPNAP-CYBMUJFWSA-N 1 0 327.446 1.599 20 10 EDCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000762787202 580083173 /nfs/dbraw/zinc/08/31/73/580083173.db2.gz OCZLYFVLAYLGGR-UHFFFAOYSA-N 1 0 344.452 1.575 20 10 EDCDRO Fc1cc(C[NH2+]CC2(N3CCOCC3)CC2)ccc1N1CCOCC1 ZINC000766225461 580162222 /nfs/dbraw/zinc/16/22/22/580162222.db2.gz QMNFSGDIYNXWSZ-UHFFFAOYSA-N 1 0 349.450 1.617 20 10 EDCDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)CCCO)ccc1N1CCCCC1 ZINC000769389726 580235467 /nfs/dbraw/zinc/23/54/67/580235467.db2.gz PCNCFBBRKIHOQO-UHFFFAOYSA-N 1 0 337.420 1.762 20 10 EDCDRO CCOc1ccc(O)c(C[N@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000769557351 580240028 /nfs/dbraw/zinc/24/00/28/580240028.db2.gz NTRPQLNILLSHPM-UHFFFAOYSA-N 1 0 328.434 1.258 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1 ZINC000773786964 580346113 /nfs/dbraw/zinc/34/61/13/580346113.db2.gz NTZBSNBIHDHHMA-INIZCTEOSA-N 1 0 325.478 1.656 20 10 EDCDRO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000775403400 580390223 /nfs/dbraw/zinc/39/02/23/580390223.db2.gz HXVSEZLVXXFQKD-ZBFHGGJFSA-N 1 0 346.475 1.340 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000776230555 580412127 /nfs/dbraw/zinc/41/21/27/580412127.db2.gz LBICICCRIMXYCV-INIZCTEOSA-N 1 0 334.416 1.660 20 10 EDCDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779538064 580488381 /nfs/dbraw/zinc/48/83/81/580488381.db2.gz UFQMPWMOTOGYJT-ZFWTWVRQSA-N 1 0 346.427 1.821 20 10 EDCDRO Cc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(O)c1O ZINC000780915267 580537408 /nfs/dbraw/zinc/53/74/08/580537408.db2.gz LKGRSONJNJOWLA-CQSZACIVSA-N 1 0 334.416 1.733 20 10 EDCDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000792978449 580832860 /nfs/dbraw/zinc/83/28/60/580832860.db2.gz UNEJFHSSVCSVGD-RHSMWYFYSA-N 1 0 338.473 1.436 20 10 EDCDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000793793215 580856419 /nfs/dbraw/zinc/85/64/19/580856419.db2.gz ISBJLLPWXDMSKH-AWEZNQCLSA-N 1 0 334.464 1.215 20 10 EDCDRO COc1ccc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c(O)c1 ZINC000796353955 580951897 /nfs/dbraw/zinc/95/18/97/580951897.db2.gz UXPYTIFKCNBIBF-KRWDZBQOSA-N 1 0 336.432 1.810 20 10 EDCDRO Cc1ccncc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000799153530 581019552 /nfs/dbraw/zinc/01/95/52/581019552.db2.gz DIXIMTPGONHXMO-SFHVURJKSA-N 1 0 341.411 1.844 20 10 EDCDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000800892221 581061039 /nfs/dbraw/zinc/06/10/39/581061039.db2.gz ZCOXUPOGPAOJBX-UHFFFAOYSA-N 1 0 337.489 1.847 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)c1 ZINC000866841542 590627315 /nfs/dbraw/zinc/62/73/15/590627315.db2.gz FYKQZKZWUBBKEH-CYBMUJFWSA-N 1 0 342.461 1.867 20 10 EDCDRO COc1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(O)c1OC ZINC000892097202 590796608 /nfs/dbraw/zinc/79/66/08/590796608.db2.gz UUYYQGBBZGHOQG-NSHDSACASA-N 1 0 329.418 1.276 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)C(N)=O)[NH+](C)C)cc1 ZINC000892098517 590798019 /nfs/dbraw/zinc/79/80/19/590798019.db2.gz GFWHYPYDDFGBIU-OAHLLOKOSA-N 1 0 349.479 1.166 20 10 EDCDRO Cc1cncn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245567 591015221 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EDCDRO COc1ccc(N2CCC(NC(=O)NCc3nnc(C)[nH]3)CC2)cc1 ZINC000892674396 591123588 /nfs/dbraw/zinc/12/35/88/591123588.db2.gz IVQSHYWZISIJLA-UHFFFAOYSA-N 1 0 344.419 1.590 20 10 EDCDRO CCNC(=O)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891600074 591145672 /nfs/dbraw/zinc/14/56/72/591145672.db2.gz PWWWENRENIGRMN-BBRMVZONSA-N 1 0 349.479 1.179 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895772507 591270484 /nfs/dbraw/zinc/27/04/84/591270484.db2.gz GEYPFZCBSOPOLY-QGZVFWFLSA-N 1 0 331.460 1.918 20 10 EDCDRO CO[C@]1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCOC1 ZINC000895813050 591279266 /nfs/dbraw/zinc/27/92/66/591279266.db2.gz ASHIWZLPKPBAQG-IBGZPJMESA-N 1 0 347.459 1.283 20 10 EDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450255 591353674 /nfs/dbraw/zinc/35/36/74/591353674.db2.gz PIYBKQPZPGSRMW-XJKSGUPXSA-N 1 0 327.494 1.378 20 10 EDCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)N(C)C)cc1 ZINC000898449868 591353722 /nfs/dbraw/zinc/35/37/22/591353722.db2.gz KQULUTXRFDSMOV-DOTOQJQBSA-N 1 0 339.505 1.522 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(CO)C2)[NH+](C)C)cc1 ZINC000899097706 591678047 /nfs/dbraw/zinc/67/80/47/591678047.db2.gz FPTWJUGNAGSICE-MRXNPFEDSA-N 1 0 334.464 1.379 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H]2CO)[NH+](C)C)cc1 ZINC000899102809 591683241 /nfs/dbraw/zinc/68/32/41/591683241.db2.gz SEDDSPVCGCJCQP-IAGOWNOFSA-N 1 0 334.464 1.522 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@]2(C)CCOC2)[NH+](C)C)cc1 ZINC000899103925 591684512 /nfs/dbraw/zinc/68/45/12/591684512.db2.gz PIGPWAMYFCACOO-SJLPKXTDSA-N 1 0 334.464 1.834 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC=C[C@@H]2CO)[NH+](C)C)cc1 ZINC000899098518 591687904 /nfs/dbraw/zinc/68/79/04/591687904.db2.gz PFICVWFTMSQWBH-IAGOWNOFSA-N 1 0 332.448 1.298 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1OC ZINC000897012613 591710738 /nfs/dbraw/zinc/71/07/38/591710738.db2.gz HGUBZIMZVKJBMV-UHFFFAOYSA-N 1 0 336.388 1.874 20 10 EDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897060229 591728031 /nfs/dbraw/zinc/72/80/31/591728031.db2.gz GDDTZYONEYWJNI-VIFPVBQESA-N 1 0 334.825 1.165 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@]3(CCOC3)C2=O)[NH+](C)C)cc1 ZINC000900185557 591932399 /nfs/dbraw/zinc/93/23/99/591932399.db2.gz ORAYLBQEDCWTHX-QAPCUYQASA-N 1 0 346.431 1.066 20 10 EDCDRO COC[C@]1(C)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900184408 591932543 /nfs/dbraw/zinc/93/25/43/591932543.db2.gz BSWLPCUTUVVTOQ-YJBOKZPZSA-N 1 0 348.447 1.312 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnn1CC[NH+](C)C ZINC000900894940 592159826 /nfs/dbraw/zinc/15/98/26/592159826.db2.gz KHYCULUWSJISCJ-UHFFFAOYSA-N 1 0 343.431 1.550 20 10 EDCDRO CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCS(=O)(=O)C1 ZINC000903367130 592160549 /nfs/dbraw/zinc/16/05/49/592160549.db2.gz XSXFKDXUOUXJEK-SIVJFFJCSA-N 1 0 343.420 1.873 20 10 EDCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000903780702 592320689 /nfs/dbraw/zinc/32/06/89/592320689.db2.gz BWJUCCJBBPMEDC-KRWDZBQOSA-N 1 0 346.475 1.312 20 10 EDCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908200557 592378654 /nfs/dbraw/zinc/37/86/54/592378654.db2.gz JEDFMPDZURSVOB-RYUDHWBXSA-N 1 0 348.424 1.594 20 10 EDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1(O)CCCC1 ZINC000905052493 592381945 /nfs/dbraw/zinc/38/19/45/592381945.db2.gz QXAGIKVVFDTHMI-KRWDZBQOSA-N 1 0 336.501 1.995 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@]1(C)C(=O)[O-] ZINC000901542954 592389937 /nfs/dbraw/zinc/38/99/37/592389937.db2.gz SUVDMNJFGAKUCX-DNVCBOLYSA-N 1 0 331.460 1.981 20 10 EDCDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905480136 592537894 /nfs/dbraw/zinc/53/78/94/592537894.db2.gz CEVLYDQCNAQPFB-SFHVURJKSA-N 1 0 349.475 1.264 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000910558319 592877592 /nfs/dbraw/zinc/87/75/92/592877592.db2.gz OPVOLMPBOKSGQY-MRXNPFEDSA-N 1 0 346.519 1.602 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCN3C(=O)N[C@@H](C)C3=O)CC2)cc1 ZINC000838799882 593213362 /nfs/dbraw/zinc/21/33/62/593213362.db2.gz ZBGJKIDIEVXHRK-AWEZNQCLSA-N 1 0 346.431 1.148 20 10 EDCDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839478435 593305310 /nfs/dbraw/zinc/30/53/10/593305310.db2.gz FPRPCPOETUDDFJ-KRWDZBQOSA-N 1 0 347.459 1.786 20 10 EDCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000803204857 593309123 /nfs/dbraw/zinc/30/91/23/593309123.db2.gz YMZDNKAJHVEKQQ-ZIAGYGMSSA-N 1 0 334.464 1.386 20 10 EDCDRO C[C@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000839542678 593337304 /nfs/dbraw/zinc/33/73/04/593337304.db2.gz VDUYKMFNFDIVOS-MAUKXSAKSA-N 1 0 347.459 1.469 20 10 EDCDRO CCN(C)c1ccc(CN2CC[NH+](C(COC)COC)CC2)cc1 ZINC000839623332 593353521 /nfs/dbraw/zinc/35/35/21/593353521.db2.gz HWZCKRZLBAGGOM-UHFFFAOYSA-N 1 0 335.492 1.922 20 10 EDCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000817156143 593577771 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EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000840935646 594830197 /nfs/dbraw/zinc/83/01/97/594830197.db2.gz XBISMUOHKFWTDX-SFHVURJKSA-N 1 0 331.460 1.931 20 10 EDCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000840974002 594834223 /nfs/dbraw/zinc/83/42/23/594834223.db2.gz ZMIBJFHZRNEEPX-UHFFFAOYSA-N 1 0 326.462 1.438 20 10 EDCDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841071964 594847455 /nfs/dbraw/zinc/84/74/55/594847455.db2.gz KMQSOVNEKNCLEP-AWEZNQCLSA-N 1 0 332.448 1.692 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000841740457 594945803 /nfs/dbraw/zinc/94/58/03/594945803.db2.gz HVTDIOQPKHNYER-VYDXJSESSA-N 1 0 346.475 1.963 20 10 EDCDRO C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000841741286 594946122 /nfs/dbraw/zinc/94/61/22/594946122.db2.gz NFBQIYIADLOBMY-OIISXLGYSA-N 1 0 344.459 1.445 20 10 EDCDRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841740951 594946167 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COc1ccc(N2CCCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841924304 594982624 /nfs/dbraw/zinc/98/26/24/594982624.db2.gz WSELJOGIPGPGPY-INIZCTEOSA-N 1 0 346.475 1.917 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(N(C)C)cc1 ZINC000842201807 595036636 /nfs/dbraw/zinc/03/66/36/595036636.db2.gz CPZGWDIRKQBKAZ-AWEZNQCLSA-N 1 0 346.475 1.708 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000842202755 595037031 /nfs/dbraw/zinc/03/70/31/595037031.db2.gz LDFMDYNPIYRRMT-IFXJQAMLSA-N 1 0 344.459 1.142 20 10 EDCDRO [NH3+]CCCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842221898 595043720 /nfs/dbraw/zinc/04/37/20/595043720.db2.gz BJTSBPHXHJIAIU-UHFFFAOYSA-N 1 0 333.432 1.519 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000842238869 595049660 /nfs/dbraw/zinc/04/96/60/595049660.db2.gz AGWZPYNFKBEPKT-MRXNPFEDSA-N 1 0 347.459 1.779 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000842266913 595060565 /nfs/dbraw/zinc/06/05/65/595060565.db2.gz VEQBCIKUODTTDI-MRXNPFEDSA-N 1 0 346.475 1.359 20 10 EDCDRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350942 595083591 /nfs/dbraw/zinc/08/35/91/595083591.db2.gz YKIGUGODUQJXFE-BBRMVZONSA-N 1 0 344.459 1.010 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000846151808 595158237 /nfs/dbraw/zinc/15/82/37/595158237.db2.gz HOUGCKFRCNZRCK-RISCZKNCSA-N 1 0 330.388 1.590 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000846154120 595159182 /nfs/dbraw/zinc/15/91/82/595159182.db2.gz KKDPCUWFEVCRJW-JSGCOSHPSA-N 1 0 344.415 1.981 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)c1O ZINC000846167690 595163463 /nfs/dbraw/zinc/16/34/63/595163463.db2.gz BAPKQMANSBIDET-GFCCVEGCSA-N 1 0 343.445 1.645 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)c2c1c(F)ccc2O ZINC000846191276 595169188 /nfs/dbraw/zinc/16/91/88/595169188.db2.gz XIYUNGHCJKQGGQ-SCVCMEIPSA-N 1 0 328.409 1.703 20 10 EDCDRO CC[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000837706985 595174014 /nfs/dbraw/zinc/17/40/14/595174014.db2.gz ITNNQCXOJZWJOK-HNNXBMFYSA-N 1 0 341.402 1.758 20 10 EDCDRO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783917 595196667 /nfs/dbraw/zinc/19/66/67/595196667.db2.gz FMWDJOIIBJMUKT-AWEZNQCLSA-N 1 0 337.449 1.071 20 10 EDCDRO Cc1noc(C)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785310 595197361 /nfs/dbraw/zinc/19/73/61/595197361.db2.gz HAJHRBJXHVPNET-CQSZACIVSA-N 1 0 338.433 1.336 20 10 EDCDRO CC(C)OCCS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785919 595197885 /nfs/dbraw/zinc/19/78/85/595197885.db2.gz XLMKBNQKPSQQOR-HNNXBMFYSA-N 1 0 329.466 1.097 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000842786125 595198050 /nfs/dbraw/zinc/19/80/50/595198050.db2.gz UGZIOIOYXKVQTD-INIZCTEOSA-N 1 0 334.445 1.313 20 10 EDCDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000846344173 595212731 /nfs/dbraw/zinc/21/27/31/595212731.db2.gz RDAZKBRXVKGEOG-UHFFFAOYSA-N 1 0 334.464 1.022 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC000843909679 595214356 /nfs/dbraw/zinc/21/43/56/595214356.db2.gz YBPDUKWYCPGEBV-RVKKMQEKSA-N 1 0 331.460 1.978 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(CC[NH3+])Cc2ccccc2)cc1 ZINC000844166514 595288941 /nfs/dbraw/zinc/28/89/41/595288941.db2.gz JUXGRIAKYSJJTP-UHFFFAOYSA-N 1 0 340.471 1.830 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2F)C[C@H](C)O1 ZINC000844172337 595290796 /nfs/dbraw/zinc/29/07/96/595290796.db2.gz FVEQTDFPOXOLNQ-XVTHAXPKSA-N 1 0 347.434 1.521 20 10 EDCDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCSCC2)cc1 ZINC000844173633 595291285 /nfs/dbraw/zinc/29/12/85/595291285.db2.gz MYYGOVRRMXBMON-QGZVFWFLSA-N 1 0 349.500 1.625 20 10 EDCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1OC ZINC000843120444 595291663 /nfs/dbraw/zinc/29/16/63/595291663.db2.gz KSCLRZLEJSDMSD-HNNXBMFYSA-N 1 0 329.400 1.951 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1F ZINC000844177549 595293678 /nfs/dbraw/zinc/29/36/78/595293678.db2.gz DDKWBYBERYSTCX-UHFFFAOYSA-N 1 0 345.422 1.483 20 10 EDCDRO Cc1cc(N2CC[C@@H](N3CCCc4cc(C[NH3+])ccc43)C2=O)n(C)n1 ZINC000844219218 595305297 /nfs/dbraw/zinc/30/52/97/595305297.db2.gz IWBMFBDCISJINK-QGZVFWFLSA-N 1 0 339.443 1.745 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000846720937 595306944 /nfs/dbraw/zinc/30/69/44/595306944.db2.gz CVWXOBDOTWAELL-UHFFFAOYSA-N 1 0 346.475 1.313 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000844226299 595309787 /nfs/dbraw/zinc/30/97/87/595309787.db2.gz LZAIXGMIZGPBRD-LJQANCHMSA-N 1 0 330.476 1.539 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000844401833 595338010 /nfs/dbraw/zinc/33/80/10/595338010.db2.gz SCJCDQNWBLFCPJ-UHFFFAOYSA-N 1 0 341.415 1.599 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848430254 595378223 /nfs/dbraw/zinc/37/82/23/595378223.db2.gz ABZSJNULVMZSHV-MJGOQNOKSA-N 1 0 331.460 1.980 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4c(nnn4C)C3)CC2)cc1 ZINC000848565122 595405974 /nfs/dbraw/zinc/40/59/74/595405974.db2.gz SSAKPEDHPPHFAX-OAHLLOKOSA-N 1 0 341.459 1.940 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000848596654 595413907 /nfs/dbraw/zinc/41/39/07/595413907.db2.gz ZRGZPZOJYGTBOG-ZDUSSCGKSA-N 1 0 346.353 1.416 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000848898390 595464798 /nfs/dbraw/zinc/46/47/98/595464798.db2.gz UUPZUYSMHRIAOA-KSSFIOAISA-N 1 0 331.416 1.765 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)C2)cc1 ZINC000852844694 595571984 /nfs/dbraw/zinc/57/19/84/595571984.db2.gz YSPHVYOBBYDDMH-QGTPRVQTSA-N 1 0 329.444 1.921 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)CC3([NH3+])CC3)cc2F)C[C@H](C)O1 ZINC000852860805 595581793 /nfs/dbraw/zinc/58/17/93/595581793.db2.gz VHDOWRMQBMHLCR-BETUJISGSA-N 1 0 335.423 1.937 20 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/nfs/dbraw/zinc/88/55/54/595885554.db2.gz ABZSFYYPDIVXMT-HNNXBMFYSA-N 1 0 346.475 1.164 20 10 EDCDRO O=C(CCc1c[nH]cn1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212052 595926766 /nfs/dbraw/zinc/92/67/66/595926766.db2.gz FTZXJVWLRNJGBM-UHFFFAOYSA-N 1 0 328.416 1.620 20 10 EDCDRO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c(O)cccc3OC)C2)n1 ZINC000856595641 596029191 /nfs/dbraw/zinc/02/91/91/596029191.db2.gz GVXURRXGASCELL-GOSISDBHSA-N 1 0 347.415 1.916 20 10 EDCDRO C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000861685370 596068013 /nfs/dbraw/zinc/06/80/13/596068013.db2.gz NKAOUNVJJHPZKQ-RDJZCZTQSA-N 1 0 346.475 1.805 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)NCCOCCC[NH3+])C2CC2)cc1 ZINC000861692055 596070309 /nfs/dbraw/zinc/07/03/09/596070309.db2.gz VFPVRYSUOXTKOL-UHFFFAOYSA-N 1 0 334.464 1.792 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C)[C@H](CO)C1)cc2=O ZINC000856793497 596083151 /nfs/dbraw/zinc/08/31/51/596083151.db2.gz IEMBBAZNJNDUFE-NEPJUHHUSA-N 1 0 348.403 1.062 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc1 ZINC000865768282 596674155 /nfs/dbraw/zinc/67/41/55/596674155.db2.gz ZEKBFAQBWRXCHF-SFHVURJKSA-N 1 0 333.432 1.844 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000866439887 596887097 /nfs/dbraw/zinc/88/70/97/596887097.db2.gz KOHUWIQBCCIMGB-AVGNSLFASA-N 1 0 348.443 1.988 20 10 EDCDRO COc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)cc1C ZINC000872795106 597072997 /nfs/dbraw/zinc/07/29/97/597072997.db2.gz BRMVGHXKQHTXCJ-TZMCWYRMSA-N 1 0 325.430 1.576 20 10 EDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000873020129 597162494 /nfs/dbraw/zinc/16/24/94/597162494.db2.gz GLJZKBJEPZKCPX-INIZCTEOSA-N 1 0 338.473 1.580 20 10 EDCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000873134337 597207509 /nfs/dbraw/zinc/20/75/09/597207509.db2.gz PHQXZGIGTUSGDW-HNNXBMFYSA-N 1 0 326.462 1.907 20 10 EDCDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1ccc(N2CCCC2)cc1 ZINC000875098713 597280625 /nfs/dbraw/zinc/28/06/25/597280625.db2.gz AXMBUYJLUQYCRX-QGZVFWFLSA-N 1 0 332.448 1.153 20 10 EDCDRO CCN(C1CC[NH+](Cc2ccc(C)cc2O)CC1)S(C)(=O)=O ZINC000876720790 597304502 /nfs/dbraw/zinc/30/45/02/597304502.db2.gz CMQJNHQOTBHVPZ-UHFFFAOYSA-N 1 0 326.462 1.947 20 10 EDCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](N)C[NH+](C)C)cc1 ZINC000876873207 597364180 /nfs/dbraw/zinc/36/41/80/597364180.db2.gz YGDHACYLYIHNQT-ROUUACIJSA-N 1 0 348.491 1.149 20 10 EDCDRO CC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877010437 597410943 /nfs/dbraw/zinc/41/09/43/597410943.db2.gz YUAAOPCBNNTULO-UHFFFAOYSA-N 1 0 345.487 1.996 20 10 EDCDRO COCCCN(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877071261 597426226 /nfs/dbraw/zinc/42/62/26/597426226.db2.gz IHXVVPACOAUQMM-UHFFFAOYSA-N 1 0 335.492 1.706 20 10 EDCDRO OC1CCN(c2ccc(C[N@@H+]3CCO[C@]4(CCOC4)C3)cc2)CC1 ZINC000877398903 597509965 /nfs/dbraw/zinc/50/99/65/597509965.db2.gz OYJQCCKJZVUXII-LJQANCHMSA-N 1 0 332.444 1.639 20 10 EDCDRO OCCCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877558593 597535536 /nfs/dbraw/zinc/53/55/36/597535536.db2.gz KHXLPZAVTXVVKK-GOSISDBHSA-N 1 0 347.503 1.584 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)[C@@H]4CCCCN4C3=O)cc2)CC1 ZINC000877873776 597561478 /nfs/dbraw/zinc/56/14/78/597561478.db2.gz CDUTXFMJDCXTBX-KRWDZBQOSA-N 1 0 342.443 1.755 20 10 EDCDRO CCc1nnsc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849818 597753213 /nfs/dbraw/zinc/75/32/13/597753213.db2.gz KKXHWJHZTMEOOF-UHFFFAOYSA-N 1 0 345.472 1.782 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccn(C(F)F)n3)cc2)CC1 ZINC000881851873 597754333 /nfs/dbraw/zinc/75/43/33/597754333.db2.gz CJMPKTFTIPUQMO-UHFFFAOYSA-N 1 0 349.385 1.960 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3cn[nH]c3)cc2)CC1 ZINC000881853433 597756042 /nfs/dbraw/zinc/75/60/42/597756042.db2.gz WJOAQDDOVVTRFO-UHFFFAOYSA-N 1 0 327.432 1.411 20 10 EDCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n2ncnc2n1 ZINC000882880073 598093769 /nfs/dbraw/zinc/09/37/69/598093769.db2.gz APMPKVXEBYDKBF-UHFFFAOYSA-N 1 0 337.431 1.797 20 10 EDCDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1O ZINC000155194529 697403409 /nfs/dbraw/zinc/40/34/09/697403409.db2.gz KNPXFKKUIUYMBA-MRXNPFEDSA-N 1 0 341.411 1.848 20 10 EDCDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921519540 703353571 /nfs/dbraw/zinc/35/35/71/703353571.db2.gz DOJGTAOCXYKCKY-UHFFFAOYSA-N 1 0 338.473 1.915 20 10 EDCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)c3cn[nH]n3)CC2)cc1C ZINC000997882650 704786324 /nfs/dbraw/zinc/78/63/24/704786324.db2.gz IAIARHBLWSCPCZ-UHFFFAOYSA-N 1 0 343.431 1.764 20 10 EDCDRO C[NH+](C)C1CCN(CCNC(=O)NCc2c(O)cccc2F)CC1 ZINC000921668506 705977031 /nfs/dbraw/zinc/97/70/31/705977031.db2.gz RNXDRZRWVILNBO-UHFFFAOYSA-N 1 0 338.427 1.357 20 10 EDCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CC(N)=O)cc1C ZINC001004789223 707278096 /nfs/dbraw/zinc/27/80/96/707278096.db2.gz ZFWHOCLTFNQMIN-ZBFHGGJFSA-N 1 0 347.459 1.738 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)cc1 ZINC001034800798 711140452 /nfs/dbraw/zinc/14/04/52/711140452.db2.gz GXYDEUMJALNITP-JOCQHMNTSA-N 1 0 333.392 1.472 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000111243325 529780636 /nfs/dbraw/zinc/78/06/36/529780636.db2.gz XYMVHELWETVOMT-UHFFFAOYSA-N 1 0 341.459 1.902 20 10 EDCDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000092012074 237012753 /nfs/dbraw/zinc/01/27/53/237012753.db2.gz JEPJVOQQZDXCJK-PXAZEXFGSA-N 1 0 345.399 1.800 20 10 EDCDRO CCOc1cccc(CN2CCN(C(=O)C[NH+](CC)CC)CC2)c1O ZINC000093045599 237019971 /nfs/dbraw/zinc/01/99/71/237019971.db2.gz JHGQNAGWPNQXON-UHFFFAOYSA-N 1 0 349.475 1.777 20 10 EDCDRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1ccccc1O ZINC000111235668 237109667 /nfs/dbraw/zinc/10/96/67/237109667.db2.gz ADGOZNBFVNWGFV-SECBINFHSA-N 1 0 333.310 1.601 20 10 EDCDRO CN1CCCc2cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)ccc21 ZINC000124206796 237148098 /nfs/dbraw/zinc/14/80/98/237148098.db2.gz CESJLSZKALQZOK-GOSISDBHSA-N 1 0 334.464 1.181 20 10 EDCDRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000367973225 250198960 /nfs/dbraw/zinc/19/89/60/250198960.db2.gz OGPLNNNSMOCOQW-UHFFFAOYSA-N 1 0 347.868 1.360 20 10 EDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000372487149 250221663 /nfs/dbraw/zinc/22/16/63/250221663.db2.gz ZQOKFGRPGLCUKU-KPZWWZAWSA-N 1 0 347.415 1.867 20 10 EDCDRO COc1cc(O)c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000373225420 250235142 /nfs/dbraw/zinc/23/51/42/250235142.db2.gz APKSNMOXBSRLPY-OAHLLOKOSA-N 1 0 334.376 1.409 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000377681098 250290700 /nfs/dbraw/zinc/29/07/00/250290700.db2.gz QXUGUUMGRREDPA-LYRGGWFBSA-N 1 0 344.415 1.396 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419701075 447358682 /nfs/dbraw/zinc/35/86/82/447358682.db2.gz AHHZXLRNUHNNGG-HIFRSBDPSA-N 1 0 342.443 1.360 20 10 EDCDRO CC(C)C[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000065961356 441497598 /nfs/dbraw/zinc/49/75/98/441497598.db2.gz AFJHJCWUTFSKLL-UHFFFAOYSA-N 1 0 337.439 1.866 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000066704258 441562597 /nfs/dbraw/zinc/56/25/97/441562597.db2.gz CCZUIKAWICMGNZ-MRXNPFEDSA-N 1 0 348.491 1.950 20 10 EDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000076074028 441594108 /nfs/dbraw/zinc/59/41/08/441594108.db2.gz OHFNHLDSEAYWHT-AWEZNQCLSA-N 1 0 347.459 1.717 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCOCC3)C1)OCO2 ZINC000069796764 442042596 /nfs/dbraw/zinc/04/25/96/442042596.db2.gz NTCCKQGKRCBCLM-CQSZACIVSA-N 1 0 334.416 1.665 20 10 EDCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163557924 442173902 /nfs/dbraw/zinc/17/39/02/442173902.db2.gz PFEHKJVFYCBMCM-CYBMUJFWSA-N 1 0 344.452 1.748 20 10 EDCDRO Cc1cccc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c1O ZINC000179625950 442483054 /nfs/dbraw/zinc/48/30/54/442483054.db2.gz BGWWJKLTDMGOTH-UHFFFAOYSA-N 1 0 331.460 1.831 20 10 EDCDRO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1O ZINC000180631178 442637852 /nfs/dbraw/zinc/63/78/52/442637852.db2.gz AMGPSZDOSVOTFB-INIZCTEOSA-N 1 0 331.460 1.829 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000185256351 443171210 /nfs/dbraw/zinc/17/12/10/443171210.db2.gz XKNOBAIUBHSFJS-GFCCVEGCSA-N 1 0 342.461 1.723 20 10 EDCDRO C[C@H](CNC(=O)N(C)Cc1ccccc1O)C[NH+]1CCN(C)CC1 ZINC000266803270 443247693 /nfs/dbraw/zinc/24/76/93/443247693.db2.gz OGIWQHDMXWIWLA-OAHLLOKOSA-N 1 0 334.464 1.417 20 10 EDCDRO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000269260760 443255732 /nfs/dbraw/zinc/25/57/32/443255732.db2.gz VWYVHMPAJBIVCV-DLBZAZTESA-N 1 0 331.460 1.639 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1[C@@H](C)O)cc2=O ZINC000264432825 443289839 /nfs/dbraw/zinc/28/98/39/443289839.db2.gz OQEYSIPQFDMZHX-RISCZKNCSA-N 1 0 348.403 1.347 20 10 EDCDRO CCOC[C@H]1CC[N@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000267101417 443341818 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O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(F)ccc(O)c1O ZINC000276559650 443747197 /nfs/dbraw/zinc/74/71/97/443747197.db2.gz IWNVYEOBOWJVTN-NSHDSACASA-N 1 0 338.379 1.468 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C[C@@H]3C)CC2)cc1 ZINC000292552637 443800490 /nfs/dbraw/zinc/80/04/90/443800490.db2.gz YRSRFARDAYFQDK-RDJZCZTQSA-N 1 0 347.459 1.189 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000283996356 443759972 /nfs/dbraw/zinc/75/99/72/443759972.db2.gz JRQJMBIXXSVGRO-QGZVFWFLSA-N 1 0 346.475 1.312 20 10 EDCDRO CNC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1c1cnn(C)c1 ZINC000284526118 443778708 /nfs/dbraw/zinc/77/87/08/443778708.db2.gz GMTBSUCVQMXFPE-CVEARBPZSA-N 1 0 328.416 1.396 20 10 EDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000281205952 443847431 /nfs/dbraw/zinc/84/74/31/443847431.db2.gz SIGQFIVBKGQADB-CHWSQXEVSA-N 1 0 328.416 1.909 20 10 EDCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285534980 444019345 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CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2O)CC1 ZINC000111236327 528633318 /nfs/dbraw/zinc/63/33/18/528633318.db2.gz ACUNJADGZHBCID-UHFFFAOYSA-N 1 0 334.416 1.626 20 10 EDCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390241 579450486 /nfs/dbraw/zinc/45/04/86/579450486.db2.gz DEERNTYLIIJFCA-BXUZGUMPSA-N 1 0 330.388 1.418 20 10 EDCDRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccccc2O)c1 ZINC000729687231 578588033 /nfs/dbraw/zinc/58/80/33/578588033.db2.gz YYEFTHBOXWTTJF-UHFFFAOYSA-N 1 0 349.412 1.029 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(CCO)CC1)cc2=O ZINC000730260179 578637324 /nfs/dbraw/zinc/63/73/24/578637324.db2.gz BYXRJPCETPZGKM-UHFFFAOYSA-N 1 0 348.403 1.206 20 10 EDCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000732241547 578699891 /nfs/dbraw/zinc/69/98/91/578699891.db2.gz MEGDONDZSPRZDF-GOSISDBHSA-N 1 0 345.491 1.332 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000732252883 578700257 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CCN(C)c1ccc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 ZINC000773755860 580345527 /nfs/dbraw/zinc/34/55/27/580345527.db2.gz RFJSIOKBDQSCMX-MRXNPFEDSA-N 1 0 330.432 1.611 20 10 EDCDRO CCOc1ccc(C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)c(O)c1 ZINC000775206700 580385725 /nfs/dbraw/zinc/38/57/25/580385725.db2.gz XQUIDMLDHONXPA-WMLDXEAASA-N 1 0 339.432 1.637 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC(=O)NCc2ccco2)c1 ZINC000775373010 580389515 /nfs/dbraw/zinc/38/95/15/580389515.db2.gz LAYVTTWWVPRQOM-NSHDSACASA-N 1 0 347.371 1.670 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(N)=O)c1 ZINC000775374487 580389524 /nfs/dbraw/zinc/38/95/24/580389524.db2.gz CPAPDLPHPFXWNU-LLVKDONJSA-N 1 0 343.383 1.789 20 10 EDCDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000776521343 580419179 /nfs/dbraw/zinc/41/91/79/580419179.db2.gz WNFDREKLXOTFSC-MRXNPFEDSA-N 1 0 325.361 1.303 20 10 EDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000776813202 580429517 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EDCDRO COc1ccc(C[NH2+]CCCOC[C@H]2CCOC2)c(O)c1OC ZINC000893037944 590629759 /nfs/dbraw/zinc/62/97/59/590629759.db2.gz OPFYFKHIXBZMAC-CYBMUJFWSA-N 1 0 325.405 1.942 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000892039333 590765662 /nfs/dbraw/zinc/76/56/62/590765662.db2.gz RXERSEDIRCRGKA-UHFFFAOYSA-N 1 0 346.475 1.754 20 10 EDCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(C)cc(OC)c3O)CCN2C1=O ZINC000894087645 591189216 /nfs/dbraw/zinc/18/92/16/591189216.db2.gz FRSXIALTYOHMAJ-ZDUSSCGKSA-N 1 0 333.388 1.178 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C2C[NH+](C3CCOCC3)C2)cc1F ZINC000895981041 591317211 /nfs/dbraw/zinc/31/72/11/591317211.db2.gz PMARWVQTRRGZAD-UHFFFAOYSA-N 1 0 335.423 1.619 20 10 EDCDRO CN(C)c1ncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000898450119 591353443 /nfs/dbraw/zinc/35/34/43/591353443.db2.gz NUWXTUNLUPMTTQ-GOSISDBHSA-N 1 0 344.507 1.945 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2nc[nH]n2)[NH+](C)C)cc1 ZINC000899101958 591682672 /nfs/dbraw/zinc/68/26/72/591682672.db2.gz JHAPFTDRHJFBKY-HNNXBMFYSA-N 1 0 345.451 1.315 20 10 EDCDRO CC(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100596 591689732 /nfs/dbraw/zinc/68/97/32/591689732.db2.gz AWXSDMJTNLYHLE-IAGOWNOFSA-N 1 0 336.480 1.671 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898151153 591803861 /nfs/dbraw/zinc/80/38/61/591803861.db2.gz GRFNTZJZDBCONY-OAHLLOKOSA-N 1 0 327.432 1.925 20 10 EDCDRO Cc1nnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC000898344624 591879392 /nfs/dbraw/zinc/87/93/92/591879392.db2.gz JLZQPQJAUHSIJX-HNNXBMFYSA-N 1 0 345.451 1.281 20 10 EDCDRO CCOCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899723781 591920588 /nfs/dbraw/zinc/92/05/88/591920588.db2.gz DSAXRNOTWPSNAA-INIZCTEOSA-N 1 0 338.521 1.856 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)cc1 ZINC000899940498 591989740 /nfs/dbraw/zinc/98/97/40/591989740.db2.gz PFTLYSATNHAQIA-IBGZPJMESA-N 1 0 347.459 1.191 20 10 EDCDRO COC(=O)/C=C/c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000900368316 591998406 /nfs/dbraw/zinc/99/84/06/591998406.db2.gz BONKHKIAWXPHQH-SVDKCWMDSA-N 1 0 331.372 1.969 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC1CCOCC1)[C@H](O)CO2 ZINC000902669722 592043721 /nfs/dbraw/zinc/04/37/21/592043721.db2.gz RDYWLTAGRUMUDQ-MAUKXSAKSA-N 1 0 349.427 1.836 20 10 EDCDRO CC[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(Cl)ccc1O ZINC000903278672 592150834 /nfs/dbraw/zinc/15/08/34/592150834.db2.gz MRDIGGANMNODFC-GDBMZVCRSA-N 1 0 328.840 1.779 20 10 EDCDRO C[C@@]1(C2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)COC(=O)N1 ZINC000905710277 592619413 /nfs/dbraw/zinc/61/94/13/592619413.db2.gz HTIQHEVAYRNKIF-QAPCUYQASA-N 1 0 348.399 1.529 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)C[C@]2(O)CCOC2)C2CC2)cc1 ZINC000905916231 592681250 /nfs/dbraw/zinc/68/12/50/592681250.db2.gz VGAHWMGFVXNKJR-RTBURBONSA-N 1 0 334.460 1.619 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000910557446 592877453 /nfs/dbraw/zinc/87/74/53/592877453.db2.gz ASLYGUKPBAAHKI-JXFKEZNVSA-N 1 0 347.503 1.955 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000911225038 592968998 /nfs/dbraw/zinc/96/89/98/592968998.db2.gz ANCZXSYFVMZJJG-IJEWVQPXSA-N 1 0 346.475 1.373 20 10 EDCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912347653 593087841 /nfs/dbraw/zinc/08/78/41/593087841.db2.gz VSZBCEPLPHNIMD-RQOWECAXSA-N 1 0 346.427 1.871 20 10 EDCDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000912587849 593106593 /nfs/dbraw/zinc/10/65/93/593106593.db2.gz YXUNXLNCUQTSSN-GQCTYLIASA-N 1 0 348.443 1.710 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000807028022 593136099 /nfs/dbraw/zinc/13/60/99/593136099.db2.gz QFYOMCKVGVIHMG-AWEZNQCLSA-N 1 0 346.475 1.530 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000806038958 593182322 /nfs/dbraw/zinc/18/23/22/593182322.db2.gz JSPBVIGVUNJGDV-ZBFHGGJFSA-N 1 0 346.475 1.276 20 10 EDCDRO CC[NH+]1CCN(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000839919616 593214036 /nfs/dbraw/zinc/21/40/36/593214036.db2.gz RXWKWIIGLOOCGS-QGZVFWFLSA-N 1 0 346.519 1.746 20 10 EDCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840146270 593289952 /nfs/dbraw/zinc/28/99/52/593289952.db2.gz IVIGXSHMUSMZQE-SWLSCSKDSA-N 1 0 335.404 1.054 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000803202258 593309058 /nfs/dbraw/zinc/30/90/58/593309058.db2.gz MZZIZZSUOFLCBC-CQSZACIVSA-N 1 0 334.464 1.134 20 10 EDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809784212 593358590 /nfs/dbraw/zinc/35/85/90/593358590.db2.gz IRLPCEZVFIDRLM-CQSZACIVSA-N 1 0 338.473 1.994 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](C(=O)C4CC4)C3)cc2)CC1 ZINC000811502044 593472133 /nfs/dbraw/zinc/47/21/33/593472133.db2.gz HJFHQSIBOBUMRP-IBGZPJMESA-N 1 0 343.471 1.618 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000817989354 593654072 /nfs/dbraw/zinc/65/40/72/593654072.db2.gz ICHFGAAXYLESAN-HNNXBMFYSA-N 1 0 346.475 1.312 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)C[NH2+]C[C@H]3CCCO3)C2)cc1 ZINC000818613609 593707935 /nfs/dbraw/zinc/70/79/35/593707935.db2.gz VKYTYUCUZYMIDS-CRAIPNDOSA-N 1 0 347.459 1.406 20 10 EDCDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000818638084 593709568 /nfs/dbraw/zinc/70/95/68/593709568.db2.gz PJYVIHLJEPXDDI-UHFFFAOYSA-N 1 0 340.427 1.775 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000818655252 593710458 /nfs/dbraw/zinc/71/04/58/593710458.db2.gz JRPRAQCQLYUNPW-GJZGRUSLSA-N 1 0 332.448 1.512 20 10 EDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968158 593731224 /nfs/dbraw/zinc/73/12/24/593731224.db2.gz MBXGWJPEBPMLCJ-WMZOPIPTSA-N 1 0 349.475 1.265 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C3CC(C)C3)CC2)cc1 ZINC000819128699 593740462 /nfs/dbraw/zinc/74/04/62/593740462.db2.gz QOMNXIJQUPFQEF-LEOMRAHMSA-N 1 0 333.476 1.566 20 10 EDCDRO O=S1(=O)C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000824517467 594029667 /nfs/dbraw/zinc/02/96/67/594029667.db2.gz WAOISNLWOACLLD-GFCCVEGCSA-N 1 0 347.392 1.782 20 10 EDCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(=O)NC ZINC000825316772 594165565 /nfs/dbraw/zinc/16/55/65/594165565.db2.gz STXLOTMIIDKEAY-SNVBAGLBSA-N 1 0 331.210 1.778 20 10 EDCDRO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825744424 594236476 /nfs/dbraw/zinc/23/64/76/594236476.db2.gz LGOUQFFSRCPWCV-UHFFFAOYSA-N 1 0 347.868 1.372 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000829764291 594258123 /nfs/dbraw/zinc/25/81/23/594258123.db2.gz IVJKGAFSXHUWMX-MRXNPFEDSA-N 1 0 342.447 1.507 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000826706101 594560515 /nfs/dbraw/zinc/56/05/15/594560515.db2.gz FYZCXUAEEPCJCP-OAHLLOKOSA-N 1 0 346.475 1.358 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ncc[nH]3)cc2F)CC1 ZINC000826719612 594563541 /nfs/dbraw/zinc/56/35/41/594563541.db2.gz QBEIMCIPTZCLRM-UHFFFAOYSA-N 1 0 345.422 1.550 20 10 EDCDRO C[C@@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000827469140 594674970 /nfs/dbraw/zinc/67/49/70/594674970.db2.gz NZQKFZFXONYONU-HNAYVOBHSA-N 1 0 344.459 1.004 20 10 EDCDRO CNc1nc(C)cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832283844 594740148 /nfs/dbraw/zinc/74/01/48/594740148.db2.gz CLNUZNQPZONLAB-AWEZNQCLSA-N 1 0 328.420 1.323 20 10 EDCDRO C[C@H](NC(=O)CC(C)(C)C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284389 594740203 /nfs/dbraw/zinc/74/02/03/594740203.db2.gz KDSWUHOJQPRXRZ-BBRMVZONSA-N 1 0 348.491 1.810 20 10 EDCDRO CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832292446 594740624 /nfs/dbraw/zinc/74/06/24/594740624.db2.gz HBFBYHVUQHIGCE-NVXWUHKLSA-N 1 0 332.448 1.127 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000840909954 594826707 /nfs/dbraw/zinc/82/67/07/594826707.db2.gz NQASBTYMQUNHQI-UHFFFAOYSA-N 1 0 325.478 1.528 20 10 EDCDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928685 594829526 /nfs/dbraw/zinc/82/95/26/594829526.db2.gz FJSAQJDZVJKYLB-UHFFFAOYSA-N 1 0 327.494 1.822 20 10 EDCDRO COC(=O)[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@H+](C)C1 ZINC000840958651 594832642 /nfs/dbraw/zinc/83/26/42/594832642.db2.gz QZJQBFMDZDLWGJ-FUTAKVPZSA-N 1 0 331.460 1.802 20 10 EDCDRO CCO/C=C/C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000841018138 594839610 /nfs/dbraw/zinc/83/96/10/594839610.db2.gz CQBXVSQZROKFLX-CXUHLZMHSA-N 1 0 347.459 1.874 20 10 EDCDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841080525 594848689 /nfs/dbraw/zinc/84/86/89/594848689.db2.gz SAYAFNPZUQRPFF-UHFFFAOYSA-N 1 0 332.448 1.788 20 10 EDCDRO [NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841706783 594940855 /nfs/dbraw/zinc/94/08/55/594940855.db2.gz KGEGJHALBAAEKK-HNNXBMFYSA-N 1 0 334.489 1.730 20 10 EDCDRO C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841731073 594945098 /nfs/dbraw/zinc/94/50/98/594945098.db2.gz XLTLNOJAVNYIRF-DOTOQJQBSA-N 1 0 346.475 1.711 20 10 EDCDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841739760 594945743 /nfs/dbraw/zinc/94/57/43/594945743.db2.gz BZVMJLQEWZPKTL-RLFYNMQTSA-N 1 0 346.475 1.881 20 10 EDCDRO C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000841741777 594946142 /nfs/dbraw/zinc/94/61/42/594946142.db2.gz QPZPQZDGCJDAQS-HUUCEWRRSA-N 1 0 332.448 1.588 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742696 594946645 /nfs/dbraw/zinc/94/66/45/594946645.db2.gz ZZUFFHFAKVXEPC-HUUCEWRRSA-N 1 0 334.464 1.881 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841779273 594951093 /nfs/dbraw/zinc/95/10/93/594951093.db2.gz PLHAHPNDDZCSMG-KRWDZBQOSA-N 1 0 332.448 1.701 20 10 EDCDRO [NH3+]CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782403 594951879 /nfs/dbraw/zinc/95/18/79/594951879.db2.gz NEAVCMNVDMFOMC-UHFFFAOYSA-N 1 0 342.390 1.905 20 10 EDCDRO C[NH2+]CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843607 594962987 /nfs/dbraw/zinc/96/29/87/594962987.db2.gz KNQIEBOUUXYUBH-GFCCVEGCSA-N 1 0 342.390 1.775 20 10 EDCDRO [NH3+]C/C=C\CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915483 594980728 /nfs/dbraw/zinc/98/07/28/594980728.db2.gz QLMHNNKXHKTGRY-UPHRSURJSA-N 1 0 340.374 1.116 20 10 EDCDRO CC[C@H]([NH3+])CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915531 594980841 /nfs/dbraw/zinc/98/08/41/594980841.db2.gz RCKLDKQOZZVXFU-LBPRGKRZSA-N 1 0 342.390 1.338 20 10 EDCDRO CSC1(CNC(=O)NCCc2ccc(N)cc2)CC[NH+](C)CC1 ZINC000841914189 594980890 /nfs/dbraw/zinc/98/08/90/594980890.db2.gz SJQILXJKBKBDNR-UHFFFAOYSA-N 1 0 336.505 1.938 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)cc1 ZINC000836622292 594981004 /nfs/dbraw/zinc/98/10/04/594981004.db2.gz RYBINSMCXIGAGI-HNNXBMFYSA-N 1 0 334.464 1.867 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000841920289 594981928 /nfs/dbraw/zinc/98/19/28/594981928.db2.gz TVVIXCCILSNSAA-UHFFFAOYSA-N 1 0 347.507 1.579 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841949281 594988016 /nfs/dbraw/zinc/98/80/16/594988016.db2.gz ZNFOEBVWBPRQFX-QGZVFWFLSA-N 1 0 332.448 1.402 20 10 EDCDRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000842151953 595023923 /nfs/dbraw/zinc/02/39/23/595023923.db2.gz DOWHIFXVSIYWQG-UHFFFAOYSA-N 1 0 346.475 1.135 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000842153556 595024575 /nfs/dbraw/zinc/02/45/75/595024575.db2.gz MZEBHCGCNRDCBB-BBRMVZONSA-N 1 0 346.475 1.121 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000842208523 595039616 /nfs/dbraw/zinc/03/96/16/595039616.db2.gz WIWPXCLYDJEAIL-WMLDXEAASA-N 1 0 346.475 1.263 20 10 EDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000842214406 595041692 /nfs/dbraw/zinc/04/16/92/595041692.db2.gz RCMMPYUIKBYYEW-INIZCTEOSA-N 1 0 344.459 1.161 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000842262723 595058823 /nfs/dbraw/zinc/05/88/23/595058823.db2.gz GXAVMZWRGMYCKG-INIZCTEOSA-N 1 0 347.459 1.765 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842274306 595062818 /nfs/dbraw/zinc/06/28/18/595062818.db2.gz LKRRLGJVTTZALM-ZBFHGGJFSA-N 1 0 347.459 1.765 20 10 EDCDRO CC(=O)N1CC[C@@](C)(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000843298331 595066150 /nfs/dbraw/zinc/06/61/50/595066150.db2.gz NSYKNQXGGBSIQE-FUHWJXTLSA-N 1 0 332.448 1.127 20 10 EDCDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000843297383 595066311 /nfs/dbraw/zinc/06/63/11/595066311.db2.gz IVXUEVKQOXXSKT-QGZVFWFLSA-N 1 0 340.427 1.816 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000843489156 595127160 /nfs/dbraw/zinc/12/71/60/595127160.db2.gz HARVDUCBFJJJSL-CYBMUJFWSA-N 1 0 340.807 1.675 20 10 EDCDRO CCOC[C@H](C)CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786299 595198016 /nfs/dbraw/zinc/19/80/16/595198016.db2.gz VTIQBXJPYZTYBK-XJKSGUPXSA-N 1 0 343.493 1.344 20 10 EDCDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000834725957 595199146 /nfs/dbraw/zinc/19/91/46/595199146.db2.gz MJLCAYHXKAIOJG-VBHSOAQHSA-N 1 0 329.400 1.690 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846345935 595213179 /nfs/dbraw/zinc/21/31/79/595213179.db2.gz ZHIHCTPTDNAQGD-UHFFFAOYSA-N 1 0 346.475 1.394 20 10 EDCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O ZINC000846474717 595244699 /nfs/dbraw/zinc/24/46/99/595244699.db2.gz ASBNCLGKJPQCHL-LBPRGKRZSA-N 1 0 339.823 1.072 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000835037657 595251099 /nfs/dbraw/zinc/25/10/99/595251099.db2.gz JVZGVZDSJYJKEB-ZZXKWVIFSA-N 1 0 337.489 1.781 20 10 EDCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000835051501 595253235 /nfs/dbraw/zinc/25/32/35/595253235.db2.gz GTTCJYAZSRRBMF-YZTRRJNXSA-N 1 0 328.416 1.440 20 10 EDCDRO C[C@@H](CO)C1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000844415657 595340362 /nfs/dbraw/zinc/34/03/62/595340362.db2.gz GRJBLRLBJOAHIF-HNNXBMFYSA-N 1 0 333.476 1.709 20 10 EDCDRO CCc1cccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1O ZINC000848880626 595462174 /nfs/dbraw/zinc/46/21/74/595462174.db2.gz HSGWILVIKAGIDE-AWEZNQCLSA-N 1 0 331.460 1.739 20 10 EDCDRO COC(=O)CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849319854 595505618 /nfs/dbraw/zinc/50/56/18/595505618.db2.gz HEURQKSDYYFPMZ-PBHICJAKSA-N 1 0 347.459 1.957 20 10 EDCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](Cc3ccccc3)C(N)=O)C2)cc1 ZINC000849321718 595506030 /nfs/dbraw/zinc/50/60/30/595506030.db2.gz KTWRRMHEGJLMSP-VQIMIIECSA-N 1 0 339.439 1.960 20 10 EDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000852793213 595545396 /nfs/dbraw/zinc/54/53/96/595545396.db2.gz UQAPXZFGCZSIKJ-HOCLYGCPSA-N 1 0 332.448 1.003 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)COC3CC[NH2+]CC3)C2)cc1 ZINC000852843760 595571050 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10 EDCDRO CN(C)c1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)cc1 ZINC000853244402 595717949 /nfs/dbraw/zinc/71/79/49/595717949.db2.gz LGTTTXUYDJQUTO-UHFFFAOYSA-N 1 0 335.496 1.435 20 10 EDCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1C1CCC1 ZINC000858341018 595768933 /nfs/dbraw/zinc/76/89/33/595768933.db2.gz VWLVWROOGBEHMN-GOSISDBHSA-N 1 0 329.444 1.766 20 10 EDCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CS1(=O)=O ZINC000850367986 595820745 /nfs/dbraw/zinc/82/07/45/595820745.db2.gz GMCAZWQXQDWAAW-ZBFHGGJFSA-N 1 0 338.473 1.579 20 10 EDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858582073 595833849 /nfs/dbraw/zinc/83/38/49/595833849.db2.gz MJOWVFITVZSDPI-STQMWFEESA-N 1 0 339.411 1.721 20 10 EDCDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851664361 595874755 /nfs/dbraw/zinc/87/47/55/595874755.db2.gz XZFCAJLCXKHREC-KDOFPFPSSA-N 1 0 346.475 1.445 20 10 EDCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000861562644 596030433 /nfs/dbraw/zinc/03/04/33/596030433.db2.gz UCEWAMXUVKVGAR-GFCCVEGCSA-N 1 0 338.427 1.275 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861750301 596088255 /nfs/dbraw/zinc/08/82/55/596088255.db2.gz HUCUVMRWIJPKSB-MRXNPFEDSA-N 1 0 344.459 1.078 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CC3C[NH+](C)C3)C2)cc1 ZINC000852386262 596144253 /nfs/dbraw/zinc/14/42/53/596144253.db2.gz AKQDLJYQRKWJGS-HNNXBMFYSA-N 1 0 346.475 1.725 20 10 EDCDRO COC(=O)[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC[N@H+](C)C1 ZINC000862391311 596318744 /nfs/dbraw/zinc/31/87/44/596318744.db2.gz BYPLHGFCRTWENE-CYBMUJFWSA-N 1 0 341.402 1.567 20 10 EDCDRO CCO[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000870933585 596411385 /nfs/dbraw/zinc/41/13/85/596411385.db2.gz QMCATLWTXNRPOV-UAGQMJEPSA-N 1 0 335.448 1.310 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F)OCO2 ZINC000865682833 596649074 /nfs/dbraw/zinc/64/90/74/596649074.db2.gz LTRDSLCAVZVZON-LBPRGKRZSA-N 1 0 330.266 1.606 20 10 EDCDRO C[N@H+](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCC1 ZINC000863859147 596706520 /nfs/dbraw/zinc/70/65/20/596706520.db2.gz LZPGMGJCTKSPPR-UHFFFAOYSA-N 1 0 345.487 1.996 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c(OC)c1 ZINC000870164308 596782601 /nfs/dbraw/zinc/78/26/01/596782601.db2.gz RVIOKPNMNWQOHZ-GOSISDBHSA-N 1 0 349.475 1.939 20 10 EDCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000866421229 596882673 /nfs/dbraw/zinc/88/26/73/596882673.db2.gz YBOMPXIOUUXJOL-ONOSFVFSSA-N 1 0 332.194 1.574 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3[nH]cnc3C)cc2F)CC1 ZINC000874439857 597079296 /nfs/dbraw/zinc/07/92/96/597079296.db2.gz PKNLVVJPTVQUKX-UHFFFAOYSA-N 1 0 345.422 1.929 20 10 EDCDRO Cc1cc(C2(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)CC2)on1 ZINC000876507141 597224303 /nfs/dbraw/zinc/22/43/03/597224303.db2.gz WMSWAWSRRWGUHD-HNNXBMFYSA-N 1 0 328.416 1.897 20 10 EDCDRO COC(=O)c1oc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000876506774 597224351 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COCC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877543727 597533012 /nfs/dbraw/zinc/53/30/12/597533012.db2.gz FWOKJUYWKUGIPK-SFHVURJKSA-N 1 0 334.460 1.885 20 10 EDCDRO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCOC1 ZINC000877588875 597539501 /nfs/dbraw/zinc/53/95/01/597539501.db2.gz AZYOESOBSQKWPB-APWZRJJASA-N 1 0 334.460 1.525 20 10 EDCDRO O=C1N[C@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)CC[C@@H]2CO1 ZINC000877607622 597541168 /nfs/dbraw/zinc/54/11/68/597541168.db2.gz FNUVDXPKRQLACG-QAPCUYQASA-N 1 0 345.443 1.578 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]CCCN2CCCS2(=O)=O)c1O ZINC000877663017 597546074 /nfs/dbraw/zinc/54/60/74/597546074.db2.gz CWWHYNPMLFWEJL-UHFFFAOYSA-N 1 0 348.852 1.569 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877727026 597551525 /nfs/dbraw/zinc/55/15/25/597551525.db2.gz PJKLEYFNARHZLI-MEBBXXQBSA-N 1 0 325.361 1.077 20 10 EDCDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(C)c2O)cc1 ZINC000877735102 597551959 /nfs/dbraw/zinc/55/19/59/597551959.db2.gz HWGNIRJODLWSIA-UHFFFAOYSA-N 1 0 334.441 1.941 20 10 EDCDRO CCC[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000877875392 597561538 /nfs/dbraw/zinc/56/15/38/597561538.db2.gz XRZYWTWIZYLJDW-INIZCTEOSA-N 1 0 330.432 1.659 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCOCC2)c1 ZINC000878360174 597597624 /nfs/dbraw/zinc/59/76/24/597597624.db2.gz IKALTDGEHZYFGC-CHWSQXEVSA-N 1 0 325.405 1.344 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3nccs3)cc2)CC1 ZINC000883153745 597670352 /nfs/dbraw/zinc/67/03/52/597670352.db2.gz MRKNWTFAAUXDSY-UHFFFAOYSA-N 1 0 345.472 1.894 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccccc1O ZINC000879648249 597673818 /nfs/dbraw/zinc/67/38/18/597673818.db2.gz GPPMXKUETBFGGG-OAHLLOKOSA-N 1 0 343.427 1.980 20 10 EDCDRO CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000879651652 597674658 /nfs/dbraw/zinc/67/46/58/597674658.db2.gz FMLRGOQNAXTKON-KBPBESRZSA-N 1 0 334.416 1.845 20 10 EDCDRO CN(C)c1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1F ZINC000131154481 597676242 /nfs/dbraw/zinc/67/62/42/597676242.db2.gz DTDZFYCAZSRBNX-UHFFFAOYSA-N 1 0 348.466 1.632 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN[C@H]3C[C@H]([NH3+])C3(C)C)CC2)cc1 ZINC000883442487 597748714 /nfs/dbraw/zinc/74/87/14/597748714.db2.gz MDBBOKVJFRJEQS-IRXDYDNUSA-N 1 0 346.475 1.059 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCn3ccnc3)cc2)CC1 ZINC000881850823 597753867 /nfs/dbraw/zinc/75/38/67/597753867.db2.gz HIMFKIBFZPBDKJ-UHFFFAOYSA-N 1 0 341.459 1.732 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc[nH]c(=O)c3)cc2)CC1 ZINC000881850818 597753912 /nfs/dbraw/zinc/75/39/12/597753912.db2.gz HCKBBANXNPUMRP-UHFFFAOYSA-N 1 0 326.400 1.469 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCn3cccn3)cc2)CC1 ZINC000881851899 597754510 /nfs/dbraw/zinc/75/45/10/597754510.db2.gz SIJSMJZMJLAXEK-UHFFFAOYSA-N 1 0 341.459 1.732 20 10 EDCDRO C[C@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883650579 597847049 /nfs/dbraw/zinc/84/70/49/597847049.db2.gz KZNXMBGWUAGTTP-YJBOKZPZSA-N 1 0 346.475 1.663 20 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CC[C@@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184699789 443061824 /nfs/dbraw/zinc/06/18/24/443061824.db2.gz UDQOJMXEZCUGOF-AWEZNQCLSA-N 1 0 328.840 1.943 20 10 EDCDRO O=C(NCc1ccccc1O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269346437 443288926 /nfs/dbraw/zinc/28/89/26/443288926.db2.gz QTIIHVCJGRKLIX-NVXWUHKLSA-N 1 0 333.432 1.569 20 10 EDCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000271093054 443490364 /nfs/dbraw/zinc/49/03/64/443490364.db2.gz IOFMWUHNPWNCFT-INIZCTEOSA-N 1 0 347.459 1.108 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000270206331 443463302 /nfs/dbraw/zinc/46/33/02/443463302.db2.gz XSYLZILRGHMMLW-AEFFLSMTSA-N 1 0 333.476 1.804 20 10 EDCDRO C[N@H+](CCNC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000264882041 443465578 /nfs/dbraw/zinc/46/55/78/443465578.db2.gz RBFURTXDWCSTMR-UHFFFAOYSA-N 1 0 332.448 1.417 20 10 EDCDRO Cc1cccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1O ZINC000271727611 443510800 /nfs/dbraw/zinc/51/08/00/443510800.db2.gz MDQGTPMYSGYACG-UHFFFAOYSA-N 1 0 326.400 1.517 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000271715950 443510844 /nfs/dbraw/zinc/51/08/44/443510844.db2.gz IFMLNEDRRXFJCN-UHFFFAOYSA-N 1 0 342.399 1.217 20 10 EDCDRO CN(C1CC[NH+](Cc2c(O)cccc2Cl)CC1)S(C)(=O)=O ZINC000271179372 443494907 /nfs/dbraw/zinc/49/49/07/443494907.db2.gz GUJHINJYPPHGQU-UHFFFAOYSA-N 1 0 332.853 1.901 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@H]1CCCO1)cc2=O ZINC000273421848 443571537 /nfs/dbraw/zinc/57/15/37/443571537.db2.gz RHCVJHKSMUFHCK-ZWNOBZJWSA-N 1 0 334.376 1.269 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC=C(COC)CC1)cc2=O ZINC000274949669 443616749 /nfs/dbraw/zinc/61/67/49/443616749.db2.gz GTMJTDFMRNNGEV-UHFFFAOYSA-N 1 0 346.387 1.390 20 10 EDCDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283581150 443666073 /nfs/dbraw/zinc/66/60/73/443666073.db2.gz SNRJAVLLDFPUJS-AWEZNQCLSA-N 1 0 334.464 1.215 20 10 EDCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H](C)CO 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333.432 1.338 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000368369456 446816749 /nfs/dbraw/zinc/81/67/49/446816749.db2.gz IUCBVHCULPGIGF-GOSISDBHSA-N 1 0 346.475 1.757 20 10 EDCDRO CN1CCc2cc(C[NH2+][C@@H]3CCCN(S(=O)(=O)C4CC4)C3)ccc21 ZINC000375767629 447034127 /nfs/dbraw/zinc/03/41/27/447034127.db2.gz GZAARPQOLZNGES-MRXNPFEDSA-N 1 0 349.500 1.725 20 10 EDCDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cccc(OC)c2O)CC1 ZINC000129247682 528019897 /nfs/dbraw/zinc/01/98/97/528019897.db2.gz LLCLQGUQFYZJLE-UHFFFAOYSA-N 1 0 349.475 1.777 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3ccnc3)nn2)c1 ZINC000728978611 578555310 /nfs/dbraw/zinc/55/53/10/578555310.db2.gz KBSBWDIBHPPWPM-LLVKDONJSA-N 1 0 339.355 1.868 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000762567291 578655959 /nfs/dbraw/zinc/65/59/59/578655959.db2.gz CSUDJMSLDPRJDY-CQSZACIVSA-N 1 0 345.237 1.320 20 10 EDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000734846172 578839991 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CNC(=O)CN1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756402581 579949411 /nfs/dbraw/zinc/94/94/11/579949411.db2.gz VGDNCTDXJJNSKI-SMDDNHRTSA-N 1 0 335.423 1.880 20 10 EDCDRO NC(=O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981056 580064736 /nfs/dbraw/zinc/06/47/36/580064736.db2.gz MFHQEPXGNWCXAZ-GFCCVEGCSA-N 1 0 325.796 1.002 20 10 EDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444965 580213137 /nfs/dbraw/zinc/21/31/37/580213137.db2.gz DTSCTJDAMGNCNG-CYBMUJFWSA-N 1 0 328.434 1.223 20 10 EDCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444969 580213144 /nfs/dbraw/zinc/21/31/44/580213144.db2.gz DTSCTJDAMGNCNG-ZDUSSCGKSA-N 1 0 328.434 1.223 20 10 EDCDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)[C@H]2C1 ZINC000768465441 580214181 /nfs/dbraw/zinc/21/41/81/580214181.db2.gz MRJKDIWMNVNDLX-UOJCXKCYSA-N 1 0 335.400 1.586 20 10 EDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000772602190 580316654 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COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)[C@H](C)C3CC3)CC2)cc1 ZINC000779217352 580481339 /nfs/dbraw/zinc/48/13/39/580481339.db2.gz FXXOPPQZSHMPPU-VQIMIIECSA-N 1 0 347.503 1.908 20 10 EDCDRO Cc1ccc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c(O)c1O ZINC000780996631 580539813 /nfs/dbraw/zinc/53/98/13/580539813.db2.gz HOKIEQJKGGBBAL-UHFFFAOYSA-N 1 0 345.399 1.672 20 10 EDCDRO CN(C)C(=O)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000781148689 580543260 /nfs/dbraw/zinc/54/32/60/580543260.db2.gz NJZDPVXYUGXYHL-MRXNPFEDSA-N 1 0 334.416 1.508 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCOCC2)O1 ZINC000790388794 580768172 /nfs/dbraw/zinc/76/81/72/580768172.db2.gz MBSUJAUDGCUADO-WBMJQRKESA-N 1 0 335.400 1.588 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000794926600 580908332 /nfs/dbraw/zinc/90/83/32/580908332.db2.gz CNEOEYDLLRBDHT-SJLPKXTDSA-N 1 0 330.476 1.347 20 10 EDCDRO COc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(O)c1OC ZINC000891925028 590691793 /nfs/dbraw/zinc/69/17/93/590691793.db2.gz QSIWPTKRAHBRSZ-CABCVRRESA-N 1 0 336.432 1.440 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c(OC)c1 ZINC000892023895 590754063 /nfs/dbraw/zinc/75/40/63/590754063.db2.gz LRCBUPJPKJUOKO-HNNXBMFYSA-N 1 0 348.447 1.273 20 10 EDCDRO COc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c(O)c1OC ZINC000892242302 590883177 /nfs/dbraw/zinc/88/31/77/590883177.db2.gz PUFMIHJOVGROCV-UHFFFAOYSA-N 1 0 332.404 1.913 20 10 EDCDRO C[C@H](CCCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893590967 590994957 /nfs/dbraw/zinc/99/49/57/590994957.db2.gz ROLHZHWVITURTF-RHSMWYFYSA-N 1 0 336.480 1.816 20 10 EDCDRO COC(=O)N(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256245 591022316 /nfs/dbraw/zinc/02/23/16/591022316.db2.gz WEUKFDJXXKSZQN-OAHLLOKOSA-N 1 0 336.436 1.170 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)C2(n3cccn3)CC2)[NH+](C)C)cc1 ZINC000891257501 591022660 /nfs/dbraw/zinc/02/26/60/591022660.db2.gz HRCFJDFTBAJXRJ-KRWDZBQOSA-N 1 0 341.459 1.857 20 10 EDCDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000891414026 591070740 /nfs/dbraw/zinc/07/07/40/591070740.db2.gz DTMDOZRYJDQGHK-GOSISDBHSA-N 1 0 346.475 1.807 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(O)c1OC ZINC000892609869 591094319 /nfs/dbraw/zinc/09/43/19/591094319.db2.gz CJWALISQADIASY-CQSZACIVSA-N 1 0 344.415 1.958 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@H]3CS(=O)(=O)C3(C)C)CC2)cc1 ZINC000895981767 591317631 /nfs/dbraw/zinc/31/76/31/591317631.db2.gz JFLJKBSORQHIQN-INIZCTEOSA-N 1 0 338.473 1.829 20 10 EDCDRO COCCN1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000898449897 591353579 /nfs/dbraw/zinc/35/35/79/591353579.db2.gz LGKHPHSMCYNOLV-HKUYNNGSSA-N 1 0 334.508 1.666 20 10 EDCDRO COCCn1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898450145 591353690 /nfs/dbraw/zinc/35/36/90/591353690.db2.gz OMXHCWPQOUYLOZ-IBGZPJMESA-N 1 0 345.491 1.988 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2cncn2C)[NH+](C)C)cc1 ZINC000894912513 591472007 /nfs/dbraw/zinc/47/20/07/591472007.db2.gz DWEYHEDYHKRVRT-QGZVFWFLSA-N 1 0 344.463 1.588 20 10 EDCDRO CN(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC000895144464 591616028 /nfs/dbraw/zinc/61/60/28/591616028.db2.gz KGKONGVAEUXJSZ-UHFFFAOYSA-N 1 0 326.448 1.907 20 10 EDCDRO COc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(O)c1OC ZINC000895313541 591710467 /nfs/dbraw/zinc/71/04/67/591710467.db2.gz JOOVBJVNEAVUDQ-QFIPXVFZSA-N 1 0 341.351 1.810 20 10 EDCDRO COC(=O)c1c(C[NH2+]C[C@H]2COCCN2C)c2cc(F)ccc2n1C ZINC000895401899 591743665 /nfs/dbraw/zinc/74/36/65/591743665.db2.gz DHKCXWWSCYBLEY-ZDUSSCGKSA-N 1 0 349.406 1.524 20 10 EDCDRO CCCN(CC)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898329619 591872666 /nfs/dbraw/zinc/87/26/66/591872666.db2.gz PYBIKWPODAQITG-UHFFFAOYSA-N 1 0 346.475 1.313 20 10 EDCDRO O=C1N[C@@H](C2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)CO1 ZINC000902514228 592008159 /nfs/dbraw/zinc/00/81/59/592008159.db2.gz MRMXFNKPQUZPTR-HIFRSBDPSA-N 1 0 334.372 1.138 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c1O ZINC000903362482 592158522 /nfs/dbraw/zinc/15/85/22/592158522.db2.gz GHBGVKZYXZAJKQ-XHDPSFHLSA-N 1 0 329.418 1.255 20 10 EDCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(F)F ZINC000905146208 592437544 /nfs/dbraw/zinc/43/75/44/592437544.db2.gz QZBRCDFSDYOOED-MRXNPFEDSA-N 1 0 332.366 1.893 20 10 EDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C3(O)CCCC3)C2)cc1 ZINC000905291738 592486236 /nfs/dbraw/zinc/48/62/36/592486236.db2.gz RTUHRZCYZOFBNG-QAPCUYQASA-N 1 0 334.460 1.777 20 10 EDCDRO C=C/C=C\CC[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000905423825 592530764 /nfs/dbraw/zinc/53/07/64/592530764.db2.gz RZFKTVINRBMWIF-PHWHVTFISA-N 1 0 345.487 1.900 20 10 EDCDRO Cc1nc2nc(C)cc(NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)n2n1 ZINC000905623339 592588702 /nfs/dbraw/zinc/58/87/02/592588702.db2.gz RYUNHMASPUUAKC-OAHLLOKOSA-N 1 0 325.420 1.919 20 10 EDCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 ZINC000905716794 592622296 /nfs/dbraw/zinc/62/22/96/592622296.db2.gz WXMSAOYJIGCDHT-SJCJKPOMSA-N 1 0 329.400 1.931 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000910990903 592907863 /nfs/dbraw/zinc/90/78/63/592907863.db2.gz FGEQPRNJGACXEO-VQIMIIECSA-N 1 0 344.459 1.017 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000731865150 592927782 /nfs/dbraw/zinc/92/77/82/592927782.db2.gz GIVYYGQVFRFAQJ-SFHVURJKSA-N 1 0 331.460 1.966 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911124918 592930047 /nfs/dbraw/zinc/93/00/47/592930047.db2.gz MNCZIBSITDKCFC-LJQANCHMSA-N 1 0 344.459 1.032 20 10 EDCDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000912587851 593106578 /nfs/dbraw/zinc/10/65/78/593106578.db2.gz YXUNXLNCUQTSSN-XQRVVYSFSA-N 1 0 348.443 1.710 20 10 EDCDRO CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000802656294 593268828 /nfs/dbraw/zinc/26/88/28/593268828.db2.gz NLTLWZNOERQQJQ-KRWDZBQOSA-N 1 0 345.443 1.493 20 10 EDCDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816558793 593531679 /nfs/dbraw/zinc/53/16/79/593531679.db2.gz LOZIPSYWTQJHOT-ZDUSSCGKSA-N 1 0 334.441 1.917 20 10 EDCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000814170698 593577086 /nfs/dbraw/zinc/57/70/86/593577086.db2.gz ATLDGMZRRJIQKY-CYBMUJFWSA-N 1 0 328.434 1.257 20 10 EDCDRO CNC(=O)[C@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000817369481 593596510 /nfs/dbraw/zinc/59/65/10/593596510.db2.gz AVDXFULKNRAKCC-ZDUSSCGKSA-N 1 0 342.395 1.900 20 10 EDCDRO CCOCc1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)ccc1OC ZINC000817418660 593603734 /nfs/dbraw/zinc/60/37/34/593603734.db2.gz AXSWDMKRCXWPIK-OAHLLOKOSA-N 1 0 331.420 1.713 20 10 EDCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817993633 593654622 /nfs/dbraw/zinc/65/46/22/593654622.db2.gz NYQCJDAEAYTKRH-QGZVFWFLSA-N 1 0 346.475 1.312 20 10 EDCDRO COCCOC[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000819003406 593733417 /nfs/dbraw/zinc/73/34/17/593733417.db2.gz VLFLDDQOMLAPAA-QGZVFWFLSA-N 1 0 338.448 1.278 20 10 EDCDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H](O)C1 ZINC000821064743 593957622 /nfs/dbraw/zinc/95/76/22/593957622.db2.gz GRMCBVOEVBDHRY-DFBGVHRSSA-N 1 0 338.835 1.897 20 10 EDCDRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824583447 594042477 /nfs/dbraw/zinc/04/24/77/594042477.db2.gz LTINOBPTQPRXHG-IBGZPJMESA-N 1 0 333.476 1.460 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]([NH3+])CCC(=O)OC)cc1 ZINC000826020351 594307610 /nfs/dbraw/zinc/30/76/10/594307610.db2.gz RTIGTGMBIULCBE-MRXNPFEDSA-N 1 0 335.448 1.772 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)cc1F ZINC000831213102 594582377 /nfs/dbraw/zinc/58/23/77/594582377.db2.gz ZWYDDLGSXVCGBL-STQMWFEESA-N 1 0 338.427 1.792 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)CC[NH2+]C(C)C)CC2)cc1 ZINC000829504571 594627584 /nfs/dbraw/zinc/62/75/84/594627584.db2.gz FTCCIKDMXAWNTI-UHFFFAOYSA-N 1 0 348.491 1.322 20 10 EDCDRO C[NH2+]CCCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469428 594675178 /nfs/dbraw/zinc/67/51/78/594675178.db2.gz XIUUFTNKRXBCIB-OAHLLOKOSA-N 1 0 332.448 1.004 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CS(=O)(=O)C(C)(C)C)cc1 ZINC000832266678 594739048 /nfs/dbraw/zinc/73/90/48/594739048.db2.gz HXXPMLCYDLOKTI-AWEZNQCLSA-N 1 0 341.477 1.082 20 10 EDCDRO COC(=O)[C@H]1CC[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832286321 594740457 /nfs/dbraw/zinc/74/04/57/594740457.db2.gz XZTONOCTXVKOIB-ZOBUZTSGSA-N 1 0 347.459 1.848 20 10 EDCDRO COc1cc(O)c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1OC ZINC000840974676 594834501 /nfs/dbraw/zinc/83/45/01/594834501.db2.gz DWKCDPAGTGGVER-UHFFFAOYSA-N 1 0 343.445 1.714 20 10 EDCDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841001952 594837558 /nfs/dbraw/zinc/83/75/58/594837558.db2.gz XOZXXZUOBKUNGI-QGZVFWFLSA-N 1 0 340.427 1.496 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NCC1=CC[NH2+]CC1 ZINC000841729107 594944582 /nfs/dbraw/zinc/94/45/82/594944582.db2.gz BCIXSUYFJDTIBZ-UHFFFAOYSA-N 1 0 330.432 1.242 20 10 EDCDRO C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841740022 594945808 /nfs/dbraw/zinc/94/58/08/594945808.db2.gz DEGPMLKOHVLGCS-PMPSAXMXSA-N 1 0 346.475 1.976 20 10 EDCDRO C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N2CCOCC2)cc1 ZINC000841742008 594946198 /nfs/dbraw/zinc/94/61/98/594946198.db2.gz RIPPUKBRCGGAMF-KKBVYLPWSA-N 1 0 330.432 1.101 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000841798170 594954771 /nfs/dbraw/zinc/95/47/71/594954771.db2.gz GHVDMRJAIOIJLZ-AWEZNQCLSA-N 1 0 338.427 1.541 20 10 EDCDRO COc1c(O)c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000841890387 594975019 /nfs/dbraw/zinc/97/50/19/594975019.db2.gz AKFMJIQBMJRZSN-NWDGAFQWSA-N 1 0 339.392 1.196 20 10 EDCDRO C[C@@H](C[NH3+])CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915661 594981219 /nfs/dbraw/zinc/98/12/19/594981219.db2.gz TUAQTALPVQHERU-NSHDSACASA-N 1 0 342.390 1.195 20 10 EDCDRO [NH3+]C1(CNC(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000841966682 594991126 /nfs/dbraw/zinc/99/11/26/594991126.db2.gz FNYJDZJTALMGPL-UHFFFAOYSA-N 1 0 328.210 1.835 20 10 EDCDRO COC[C@@]1(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000841993200 594997345 /nfs/dbraw/zinc/99/73/45/594997345.db2.gz ICVUGYNFMWCIQG-PXAZEXFGSA-N 1 0 337.420 1.530 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000842152257 595024221 /nfs/dbraw/zinc/02/42/21/595024221.db2.gz FNVVSPHVWPTPLD-OAHLLOKOSA-N 1 0 334.464 1.167 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000842227646 595044999 /nfs/dbraw/zinc/04/49/99/595044999.db2.gz VOBHWNAFIKLWBB-MRXNPFEDSA-N 1 0 346.475 1.217 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000842229885 595045984 /nfs/dbraw/zinc/04/59/84/595045984.db2.gz TYEIVWWSSCGSNZ-CVEARBPZSA-N 1 0 346.475 1.487 20 10 EDCDRO CCC[NH2+]CCNC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000842233774 595047021 /nfs/dbraw/zinc/04/70/21/595047021.db2.gz HXJCAYRTCGFEOA-UHFFFAOYSA-N 1 0 334.464 1.217 20 10 EDCDRO O=C(NC1C[NH2+]C1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842234955 595048049 /nfs/dbraw/zinc/04/80/49/595048049.db2.gz ISZWFXMZSTUCHG-UHFFFAOYSA-N 1 0 331.416 1.142 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000842265428 595059922 /nfs/dbraw/zinc/05/99/22/595059922.db2.gz JXAUXHQCCNLYMR-ZBFHGGJFSA-N 1 0 346.475 1.358 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000842267290 595060723 /nfs/dbraw/zinc/06/07/23/595060723.db2.gz XKHPJAGXZLXZJH-YOEHRIQHSA-N 1 0 346.475 1.215 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C(N)=O)cs2)cc1 ZINC000843299858 595066930 /nfs/dbraw/zinc/06/69/30/595066930.db2.gz YAGGMEVOUGPUNY-CYBMUJFWSA-N 1 0 332.429 1.343 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)N3CCCO[C@@H](C[NH3+])C3)cs2)cc1 ZINC000842510773 595123988 /nfs/dbraw/zinc/12/39/88/595123988.db2.gz VDOOOUXFCHQSGF-AWEZNQCLSA-N 1 0 346.456 1.506 20 10 EDCDRO O=C(CO[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843486688 595126731 /nfs/dbraw/zinc/12/67/31/595126731.db2.gz UWZATOGOLUTALK-SJORKVTESA-N 1 0 348.443 1.668 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000843489020 595127247 /nfs/dbraw/zinc/12/72/47/595127247.db2.gz AVQRWAFFIMZDAS-UWVGGRQHSA-N 1 0 328.796 1.531 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000846161436 595162317 /nfs/dbraw/zinc/16/23/17/595162317.db2.gz ZCBSWIUBHAEGMN-OAVHHTNSSA-N 1 0 347.415 1.772 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000835037772 595250883 /nfs/dbraw/zinc/25/08/83/595250883.db2.gz MREHBVDCGKCWBA-HNSSHINMSA-N 1 0 344.503 1.943 20 10 EDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)NCCc1ccccc1 ZINC000835072184 595257472 /nfs/dbraw/zinc/25/74/72/595257472.db2.gz CJROLYJBLWPTCN-CYBMUJFWSA-N 1 0 342.395 1.958 20 10 EDCDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174309 595292078 /nfs/dbraw/zinc/29/20/78/595292078.db2.gz VEJICJTUYXFKRQ-HNNXBMFYSA-N 1 0 341.402 1.494 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000844175817 595292437 /nfs/dbraw/zinc/29/24/37/595292437.db2.gz JWTKITFLYFSVFE-RDJZCZTQSA-N 1 0 344.459 1.147 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)cc1 ZINC000848408044 595374434 /nfs/dbraw/zinc/37/44/34/595374434.db2.gz YPVLYDWYOJMOIF-HKUYNNGSSA-N 1 0 329.444 1.734 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)cc1 ZINC000848408052 595374488 /nfs/dbraw/zinc/37/44/88/595374488.db2.gz YPVLYDWYOJMOIF-MJGOQNOKSA-N 1 0 329.444 1.734 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000848908855 595466336 /nfs/dbraw/zinc/46/63/36/595466336.db2.gz FSGLNPUHAOURSO-UHFFFAOYSA-N 1 0 338.473 1.955 20 10 EDCDRO C[C@@H]1CN(C(=[NH2+])NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000849095847 595480863 /nfs/dbraw/zinc/48/08/63/595480863.db2.gz PRCZNEWBWMHQIQ-CQSZACIVSA-N 1 0 334.489 1.985 20 10 EDCDRO CCc1ncn(C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000849325687 595506378 /nfs/dbraw/zinc/50/63/78/595506378.db2.gz PMKQWRKOMRAYQK-MRXNPFEDSA-N 1 0 345.447 1.032 20 10 EDCDRO Cc1ccncc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000850586899 595539357 /nfs/dbraw/zinc/53/93/57/595539357.db2.gz JZMUNCMBCYCXLM-HNNXBMFYSA-N 1 0 334.445 1.434 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000852868563 595588610 /nfs/dbraw/zinc/58/86/10/595588610.db2.gz JQJHPMLFROKCNM-IEBWSBKVSA-N 1 0 329.444 1.264 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000860125883 595588776 /nfs/dbraw/zinc/58/87/76/595588776.db2.gz DCTBUWNCFGAILQ-KVSKMBFKSA-N 1 0 331.460 1.556 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000860194857 595609151 /nfs/dbraw/zinc/60/91/51/595609151.db2.gz YTIOGYOOXBWLGJ-OAHLLOKOSA-N 1 0 325.478 1.514 20 10 EDCDRO CC[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1O ZINC000858569543 595831741 /nfs/dbraw/zinc/83/17/41/595831741.db2.gz KEKCNGRKYDTZCB-ZDUSSCGKSA-N 1 0 347.868 1.577 20 10 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COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCCCCO3)CC2)cc1 ZINC000879510468 597612638 /nfs/dbraw/zinc/61/26/38/597612638.db2.gz QKEFANZLMCTYCO-GOSISDBHSA-N 1 0 349.475 1.596 20 10 EDCDRO C[C@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1O ZINC000879650935 597674994 /nfs/dbraw/zinc/67/49/94/597674994.db2.gz YMXHGYBECSRFCM-AWEZNQCLSA-N 1 0 341.415 1.182 20 10 EDCDRO C[NH2+]C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000883449678 597751381 /nfs/dbraw/zinc/75/13/81/597751381.db2.gz FGSOKCSUJVDRGF-GOSISDBHSA-N 1 0 332.492 1.785 20 10 EDCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)n1cccn1 ZINC000881850353 597753698 /nfs/dbraw/zinc/75/36/98/597753698.db2.gz RZZKVLPQLZCNEL-HNNXBMFYSA-N 1 0 327.432 1.512 20 10 EDCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccnn1C ZINC000881853473 597755846 /nfs/dbraw/zinc/75/58/46/597755846.db2.gz XPNNXUPPICETKL-HNNXBMFYSA-N 1 0 341.459 1.592 20 10 EDCDRO C[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883650578 597847161 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EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000273432954 443572757 /nfs/dbraw/zinc/57/27/57/443572757.db2.gz WIMJEQMQCJTESS-CQSZACIVSA-N 1 0 335.448 1.467 20 10 EDCDRO COCCC[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276613994 443766032 /nfs/dbraw/zinc/76/60/32/443766032.db2.gz PZFBZBQXLIRAHN-UHFFFAOYSA-N 1 0 326.368 1.468 20 10 EDCDRO CCO[C@H](C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000299507579 444065523 /nfs/dbraw/zinc/06/55/23/444065523.db2.gz QNRMILYZFMGBAZ-OAHLLOKOSA-N 1 0 335.448 1.358 20 10 EDCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293892378 444094253 /nfs/dbraw/zinc/09/42/53/444094253.db2.gz VGZPSJMZYDLQPX-HNNXBMFYSA-N 1 0 325.478 1.575 20 10 EDCDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000294160327 444104600 /nfs/dbraw/zinc/10/46/00/444104600.db2.gz RSNRETGFYUFJIF-IEBWSBKVSA-N 1 0 345.487 1.887 20 10 EDCDRO C[N@H+](C[C@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000289428380 444140598 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Cn1ccnc(N2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)c1=O ZINC000370177051 446188934 /nfs/dbraw/zinc/18/89/34/446188934.db2.gz XNHUZOVHWPBKEJ-AWEZNQCLSA-N 1 0 348.834 1.898 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000375039451 446534898 /nfs/dbraw/zinc/53/48/98/446534898.db2.gz NANSKZLAWUMODX-IEBWSBKVSA-N 1 0 344.503 1.737 20 10 EDCDRO C[NH+](C)C1(C(=O)NCc2ccc(O)c(O)c2)Cc2ccccc2C1 ZINC000368036285 446620692 /nfs/dbraw/zinc/62/06/92/446620692.db2.gz HSQLNKVSKRFCGC-UHFFFAOYSA-N 1 0 326.396 1.813 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 ZINC000368081845 446628487 /nfs/dbraw/zinc/62/84/87/446628487.db2.gz PUHWPQVKGHBZIH-QGPMSJSTSA-N 1 0 334.416 1.707 20 10 EDCDRO CNC(=O)NC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000529644134 448915779 /nfs/dbraw/zinc/91/57/79/448915779.db2.gz SLDCNROVXRVDGC-AWEZNQCLSA-N 1 0 329.400 1.675 20 10 EDCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)CCOCC[NH3+])ccc21 ZINC000638673511 451644409 /nfs/dbraw/zinc/64/44/09/451644409.db2.gz TYROHVWMPAQMDB-UHFFFAOYSA-N 1 0 347.459 1.952 20 10 EDCDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000030668003 521662496 /nfs/dbraw/zinc/66/24/96/521662496.db2.gz IFBNHZLAERKNKD-UHFFFAOYSA-N 1 0 325.478 1.656 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000298336188 522192232 /nfs/dbraw/zinc/19/22/32/522192232.db2.gz LUHCTLWBZDYRRA-QGZVFWFLSA-N 1 0 331.460 1.748 20 10 EDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)cc1 ZINC000090103440 527869985 /nfs/dbraw/zinc/86/99/85/527869985.db2.gz JEPNRELLCYMZNX-CQSZACIVSA-N 1 0 328.478 1.855 20 10 EDCDRO CCn1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 ZINC000733330883 578759915 /nfs/dbraw/zinc/75/99/15/578759915.db2.gz RKJLXRQZFYJXGW-UHFFFAOYSA-N 1 0 348.472 1.428 20 10 EDCDRO CC(C)C[C@H](NC(=O)C1=CC(=O)CS1)C(=O)NCC[NH+](C)C ZINC000760841297 580039277 /nfs/dbraw/zinc/03/92/77/580039277.db2.gz UBSSMUUERRWYGO-LBPRGKRZSA-N 1 0 327.450 1.276 20 10 EDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000777221061 580437490 /nfs/dbraw/zinc/43/74/90/580437490.db2.gz YNPAGATYTBMBHR-CXAGYDPISA-N 1 0 341.404 1.320 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)CCC3CC3)CC2)cc1 ZINC000754071221 579895498 /nfs/dbraw/zinc/89/54/98/579895498.db2.gz NMTPTEKVNMWXRT-IBGZPJMESA-N 1 0 347.503 1.910 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3nc(C)nc3C)CC2)cc1 ZINC000758222211 579977287 /nfs/dbraw/zinc/97/72/87/579977287.db2.gz IDOZXLWTOBFKJE-KRWDZBQOSA-N 1 0 345.447 1.087 20 10 EDCDRO Cn1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000763471424 580100559 /nfs/dbraw/zinc/10/05/59/580100559.db2.gz AGRDKJWVAPYZLS-UHFFFAOYSA-N 1 0 333.457 1.550 20 10 EDCDRO CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(N(C)C)cc1 ZINC000766143482 580160224 /nfs/dbraw/zinc/16/02/24/580160224.db2.gz DPUUJPPAVSNFQB-INIZCTEOSA-N 1 0 340.489 1.733 20 10 EDCDRO COc1cc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c(O)cc1C ZINC000768439864 580212750 /nfs/dbraw/zinc/21/27/50/580212750.db2.gz OGMCWFQIAWVBII-CYBMUJFWSA-N 1 0 342.461 1.470 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCCO3)CC1)[C@@H](O)CO2 ZINC000768463015 580213837 /nfs/dbraw/zinc/21/38/37/580213837.db2.gz DZNKDKIRJJBEID-YJBOKZPZSA-N 1 0 349.427 1.978 20 10 EDCDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773315278 580333694 /nfs/dbraw/zinc/33/36/94/580333694.db2.gz PIPVCVFGQDUFSW-HOCLYGCPSA-N 1 0 334.464 1.834 20 10 EDCDRO COc1c(O)c(CN2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775098035 580382821 /nfs/dbraw/zinc/38/28/21/580382821.db2.gz PEEIOLNMIDKWDJ-UHFFFAOYSA-N 1 0 339.392 1.198 20 10 EDCDRO COC(=O)CCCN1CCC([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000775633622 580395797 /nfs/dbraw/zinc/39/57/97/580395797.db2.gz QUBYXIDSWBRDJV-UHFFFAOYSA-N 1 0 336.432 1.908 20 10 EDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000776225811 580411865 /nfs/dbraw/zinc/41/18/65/580411865.db2.gz ZPTRQUCEEMWXBX-ABAIWWIYSA-N 1 0 330.388 1.418 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@@]34CCOC4=O)cc2)CC1 ZINC000779199320 580480843 /nfs/dbraw/zinc/48/08/43/580480843.db2.gz XVNQAKNNVYKFOB-IBGZPJMESA-N 1 0 329.444 1.720 20 10 EDCDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000779432695 580485607 /nfs/dbraw/zinc/48/56/07/580485607.db2.gz ZTVDJTMBPUJHFM-HOCLYGCPSA-N 1 0 325.430 1.527 20 10 EDCDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000793045295 580834597 /nfs/dbraw/zinc/83/45/97/580834597.db2.gz YVBCDKZVRSHXBY-KYJSFNMBSA-N 1 0 331.460 1.903 20 10 EDCDRO COc1cccc(O)c1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000796515818 580955480 /nfs/dbraw/zinc/95/54/80/580955480.db2.gz COYQTQRBTWCFKY-AWEZNQCLSA-N 1 0 334.338 1.754 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000797097847 580968153 /nfs/dbraw/zinc/96/81/53/580968153.db2.gz YVIDHWGIDHNLLB-OLZOCXBDSA-N 1 0 342.461 1.866 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000892140933 590818850 /nfs/dbraw/zinc/81/88/50/590818850.db2.gz FMPYEUDKRAPHPN-STQMWFEESA-N 1 0 336.436 1.271 20 10 EDCDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(O)c1OC ZINC000892246346 590885447 /nfs/dbraw/zinc/88/54/47/590885447.db2.gz LVNICGCVWZXQQH-ZIAGYGMSSA-N 1 0 334.416 1.900 20 10 EDCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c(O)c1OC ZINC000893564098 590962959 /nfs/dbraw/zinc/96/29/59/590962959.db2.gz ZEINZQYTADEFDK-UHFFFAOYSA-N 1 0 342.395 1.985 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000891252175 591019292 /nfs/dbraw/zinc/01/92/92/591019292.db2.gz HVCYIKSFZHCJKP-MRXNPFEDSA-N 1 0 343.431 1.088 20 10 EDCDRO CCOC(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256542 591022184 /nfs/dbraw/zinc/02/21/84/591022184.db2.gz ZKEJLBWRWYNKJN-OAHLLOKOSA-N 1 0 336.436 1.218 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cnn(C)c2)[NH+](C)C)cc1 ZINC000891256681 591022241 /nfs/dbraw/zinc/02/22/41/591022241.db2.gz ZUIMBOYNWDHOEX-PMQIGOLDSA-N 1 0 341.459 1.918 20 10 EDCDRO Cc1ccc(O)c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840955786 591032720 /nfs/dbraw/zinc/03/27/20/591032720.db2.gz WZSOQVLWFHTQMO-UHFFFAOYSA-N 1 0 333.476 1.587 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1OC ZINC000893002527 591251829 /nfs/dbraw/zinc/25/18/29/591251829.db2.gz UPVMWNOBJZLPRD-STQMWFEESA-N 1 0 343.445 1.855 20 10 EDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895710161 591258038 /nfs/dbraw/zinc/25/80/38/591258038.db2.gz HCBAODPPWXONLS-SFHVURJKSA-N 1 0 329.444 1.624 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000894277355 591262069 /nfs/dbraw/zinc/26/20/69/591262069.db2.gz UCKARPMEKCXEOF-AWEZNQCLSA-N 1 0 330.388 1.338 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(O)c1OC ZINC000894507114 591329149 /nfs/dbraw/zinc/32/91/49/591329149.db2.gz VUVJDEODVDEWSI-LLVKDONJSA-N 1 0 329.418 1.324 20 10 EDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c(O)c1OC ZINC000894622318 591369438 /nfs/dbraw/zinc/36/94/38/591369438.db2.gz GXOFTDGPDOWJHH-CQSZACIVSA-N 1 0 348.403 1.330 20 10 EDCDRO COc1ccc(O)c(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)c1 ZINC000896361816 591437610 /nfs/dbraw/zinc/43/76/10/591437610.db2.gz PWXSXAXLQGPWFD-HNNXBMFYSA-N 1 0 330.388 1.821 20 10 EDCDRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000897173428 591757349 /nfs/dbraw/zinc/75/73/49/591757349.db2.gz SULQPZAWCDWPNC-CQSZACIVSA-N 1 0 335.400 1.874 20 10 EDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2C1 ZINC000895576580 591805995 /nfs/dbraw/zinc/80/59/95/591805995.db2.gz NRHDVVZIDXCICK-CALCHBBNSA-N 1 0 347.434 1.572 20 10 EDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)[C@@H](CO)C1 ZINC000898349877 591882622 /nfs/dbraw/zinc/88/26/22/591882622.db2.gz CYTILJGQUSBNRL-OCCSQVGLSA-N 1 0 342.823 1.893 20 10 EDCDRO CN(C)c1ccc([C@H](CN2C(=O)[C@H]3CCCN3C2=O)[NH+](C)C)cc1 ZINC000900186044 591933303 /nfs/dbraw/zinc/93/33/03/591933303.db2.gz VHXJSZSBSRKQMQ-CVEARBPZSA-N 1 0 330.432 1.782 20 10 EDCDRO CC(C)(C)c1cc(O)c(O)c(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000902615244 592026697 /nfs/dbraw/zinc/02/66/97/592026697.db2.gz IFHVNEOUOMBKID-BETUJISGSA-N 1 0 339.457 1.872 20 10 EDCDRO CNC(=O)c1c(C)[nH]nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000902664292 592042519 /nfs/dbraw/zinc/04/25/19/592042519.db2.gz PZOWXVKIKJLPNZ-UHFFFAOYSA-N 1 0 342.447 1.442 20 10 EDCDRO Cc1nsc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000903044645 592112959 /nfs/dbraw/zinc/11/29/59/592112959.db2.gz CNCUKGUGRRIJGJ-AWEZNQCLSA-N 1 0 333.461 1.945 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCCC2)c1O ZINC000903290971 592153934 /nfs/dbraw/zinc/15/39/34/592153934.db2.gz KQPDZPAYTNRCRQ-GFCCVEGCSA-N 1 0 328.434 1.477 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccnn2CC[NH+](C)C)c1 ZINC000901126249 592243282 /nfs/dbraw/zinc/24/32/82/592243282.db2.gz BZELYVKTFGXSJC-LBPRGKRZSA-N 1 0 332.404 1.650 20 10 EDCDRO c1cc(N2CCOCC2)ccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974251 592397591 /nfs/dbraw/zinc/39/75/91/592397591.db2.gz NGGCSKCPFHMHCF-GOSISDBHSA-N 1 0 345.487 1.772 20 10 EDCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)C2(O)CCCC2)N(C)C)cc1 ZINC000905707010 592618158 /nfs/dbraw/zinc/61/81/58/592618158.db2.gz XHQYLFIIODJNTP-MSOLQXFVSA-N 1 0 335.492 1.611 20 10 EDCDRO CC(C)[NH2+]Cc1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000905789248 592641762 /nfs/dbraw/zinc/64/17/62/592641762.db2.gz UGJXCPHSIMATQS-UHFFFAOYSA-N 1 0 344.463 1.501 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000911225293 592968921 /nfs/dbraw/zinc/96/89/21/592968921.db2.gz FOTUXWJWSLMBSE-DOMZBBRYSA-N 1 0 332.448 1.126 20 10 EDCDRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000806041144 593182381 /nfs/dbraw/zinc/18/23/81/593182381.db2.gz SYIFOFUVTOAUTA-GDBMZVCRSA-N 1 0 346.475 1.310 20 10 EDCDRO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000838557841 593187093 /nfs/dbraw/zinc/18/70/93/593187093.db2.gz CKJSYZYJELFROO-XHSDSOJGSA-N 1 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[NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843048137 595273733 /nfs/dbraw/zinc/27/37/33/595273733.db2.gz OYBJXBJYIQALKJ-JTQLQIEISA-N 1 0 329.803 1.472 20 10 EDCDRO COCCC[N@H+](C)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000845011189 595426442 /nfs/dbraw/zinc/42/64/42/595426442.db2.gz ODHCJWLFQCBHLN-UHFFFAOYSA-N 1 0 329.828 1.813 20 10 EDCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Br)[C@@H]1CCOC1 ZINC000858161512 595716517 /nfs/dbraw/zinc/71/65/17/595716517.db2.gz SVQDGZSBUGRFAH-GHMZBOCLSA-N 1 0 330.222 1.889 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(OCCO)CCOC2)cc1F ZINC000858188491 595724351 /nfs/dbraw/zinc/72/43/51/595724351.db2.gz UNVSHQOPEUNKPF-MRXNPFEDSA-N 1 0 330.375 1.288 20 10 EDCDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000858252513 595743341 /nfs/dbraw/zinc/74/33/41/595743341.db2.gz KCRKFZYYCRBGCP-CHWSQXEVSA-N 1 0 332.853 1.996 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000858338008 595768044 /nfs/dbraw/zinc/76/80/44/595768044.db2.gz AHASKOPYWIYSOM-LBPRGKRZSA-N 1 0 345.237 1.320 20 10 EDCDRO COc1cc(C[NH2+]C[C@H](O)Cn2ccnn2)c(O)c(C(C)(C)C)c1 ZINC000850323806 595807637 /nfs/dbraw/zinc/80/76/37/595807637.db2.gz GGVDPUXTUXDXPY-ZDUSSCGKSA-N 1 0 334.420 1.441 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1OC ZINC000853585180 595814741 /nfs/dbraw/zinc/81/47/41/595814741.db2.gz VXPZGIMOQHZCDO-CYBMUJFWSA-N 1 0 337.420 1.597 20 10 EDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC2(CCC2)C1 ZINC000851629832 595861252 /nfs/dbraw/zinc/86/12/52/595861252.db2.gz BEXSSVSOOWDZEL-UHFFFAOYSA-N 1 0 347.434 1.940 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CC[NH2+]CC1 ZINC000851661542 595873038 /nfs/dbraw/zinc/87/30/38/595873038.db2.gz KOTXTVDNHSPDAP-UHFFFAOYSA-N 1 0 332.448 1.199 20 10 EDCDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663142 595873885 /nfs/dbraw/zinc/87/38/85/595873885.db2.gz UKNPRCMKJOBZHA-MRXNPFEDSA-N 1 0 348.491 1.964 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCC[NH2+]CC1 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COCC[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876557210 597240510 /nfs/dbraw/zinc/24/05/10/597240510.db2.gz WAVCGTAMFCDQIU-UHFFFAOYSA-N 1 0 333.476 1.412 20 10 EDCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000876713913 597301034 /nfs/dbraw/zinc/30/10/34/597301034.db2.gz QDNZXWWNFPRMDS-MJGOQNOKSA-N 1 0 347.459 1.249 20 10 EDCDRO CN(c1ccc(CNC(=O)CN2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC000876742544 597317311 /nfs/dbraw/zinc/31/73/11/597317311.db2.gz YODLROQRGHIBQQ-UHFFFAOYSA-N 1 0 344.503 1.977 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000876750664 597321503 /nfs/dbraw/zinc/32/15/03/597321503.db2.gz XURNONKIIWFFMD-CXAGYDPISA-N 1 0 335.423 1.728 20 10 EDCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](N)C[NH+](C)C)cc1 ZINC000876873206 597364280 /nfs/dbraw/zinc/36/42/80/597364280.db2.gz YGDHACYLYIHNQT-MSOLQXFVSA-N 1 0 348.491 1.149 20 10 EDCDRO CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)nc1 ZINC000876890659 597372025 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COc1ccc(N2CCC[N@H+](C[C@H]3CCc4ncnn43)CC2)cc1 ZINC000877983473 597567884 /nfs/dbraw/zinc/56/78/84/597567884.db2.gz MKWWASDUENDTQX-MRXNPFEDSA-N 1 0 327.432 1.986 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCOC3)cc2)CC1 ZINC000883406670 597734286 /nfs/dbraw/zinc/73/42/86/597734286.db2.gz XUTHIIZUTYYGJK-LJQANCHMSA-N 1 0 346.475 1.664 20 10 EDCDRO Cc1cc(=O)[nH]cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850629 597753890 /nfs/dbraw/zinc/75/38/90/597753890.db2.gz ADMPMMNXZQQFRZ-UHFFFAOYSA-N 1 0 340.427 1.777 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccncc3F)cc2)CC1 ZINC000879076091 597811198 /nfs/dbraw/zinc/81/11/98/597811198.db2.gz ZUMNRNVQBXQOAF-UHFFFAOYSA-N 1 0 343.406 1.716 20 10 EDCDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](CO)C1 ZINC000879147208 597831969 /nfs/dbraw/zinc/83/19/69/597831969.db2.gz ZMAPMJSEBYEDII-QAPCUYQASA-N 1 0 333.476 1.804 20 10 EDCDRO CC[C@](C)([NH3+])c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094833 598074458 /nfs/dbraw/zinc/07/44/58/598074458.db2.gz UTAQQEZKASFMHC-KRWDZBQOSA-N 1 0 330.436 1.244 20 10 EDCDRO CN1C(=O)CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918906908 697222845 /nfs/dbraw/zinc/22/28/45/697222845.db2.gz SWBGGJRWNNVRKQ-QGZVFWFLSA-N 1 0 344.459 1.066 20 10 EDCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)N1CCOCC1 ZINC000072670206 702271549 /nfs/dbraw/zinc/27/15/49/702271549.db2.gz SNPHPGUHXCDEGN-UHFFFAOYSA-N 1 0 333.476 1.724 20 10 EDCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3n[nH]nc3C)CC2)cc1C ZINC000996869273 703141509 /nfs/dbraw/zinc/14/15/09/703141509.db2.gz DDACWYLTGDLIJO-UHFFFAOYSA-N 1 0 343.431 1.825 20 10 EDCDRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc4c(c3)CCCO4)CC2)N1 ZINC000922126198 709795175 /nfs/dbraw/zinc/79/51/75/709795175.db2.gz RLAWSNSBPYZUAO-UHFFFAOYSA-N 1 0 329.400 1.622 20 10 EDCDRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000922385742 711445403 /nfs/dbraw/zinc/44/54/03/711445403.db2.gz CWKSCECFLQLOJB-BGTYHANMSA-N 1 0 349.431 1.870 20 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C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000179017089 442552423 /nfs/dbraw/zinc/55/24/23/442552423.db2.gz GRHFZDICNGSIJG-PFWMLDTASA-N 1 0 329.444 1.604 20 10 EDCDRO CN(C)CC[NH+]1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181078528 442679059 /nfs/dbraw/zinc/67/90/59/442679059.db2.gz JPISUIHVYAQAPX-GQCTYLIASA-N 1 0 347.459 1.501 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000182466356 442772297 /nfs/dbraw/zinc/77/22/97/442772297.db2.gz ZSKDFRKBUBLMOL-WFASDCNBSA-N 1 0 344.415 1.981 20 10 EDCDRO Cc1c([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cnn1C ZINC000183389992 442926919 /nfs/dbraw/zinc/92/69/19/442926919.db2.gz UVNJBVMYFHDWPC-ZDUSSCGKSA-N 1 0 329.448 1.762 20 10 EDCDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184994775 443114426 /nfs/dbraw/zinc/11/44/26/443114426.db2.gz URBLBMKANFUVHA-NSHDSACASA-N 1 0 325.840 1.907 20 10 EDCDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000268807809 443114933 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CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271125327 443491420 /nfs/dbraw/zinc/49/14/20/443491420.db2.gz HBILZNROALECBV-CQSZACIVSA-N 1 0 341.404 1.355 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275161753 443622267 /nfs/dbraw/zinc/62/22/67/443622267.db2.gz YOFRFHKEAGDPCS-SNVBAGLBSA-N 1 0 332.322 1.901 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCCC[C@H]1OC)cc2=O ZINC000275201819 443623052 /nfs/dbraw/zinc/62/30/52/443623052.db2.gz IAYJZNJVBMIUCN-ZIAGYGMSSA-N 1 0 348.403 1.659 20 10 EDCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000283322142 443601569 /nfs/dbraw/zinc/60/15/69/443601569.db2.gz CCIXVXPSFWABJP-ZFWWWQNUSA-N 1 0 344.459 1.110 20 10 EDCDRO COCCOCCOCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000274437781 443605768 /nfs/dbraw/zinc/60/57/68/443605768.db2.gz TXWXMGXXIROPSX-UHFFFAOYSA-N 1 0 327.377 1.280 20 10 EDCDRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000274556476 443608032 /nfs/dbraw/zinc/60/80/32/443608032.db2.gz YWSHLEKVIXTAGC-UHFFFAOYSA-N 1 0 346.475 1.759 20 10 EDCDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000274921208 443615982 /nfs/dbraw/zinc/61/59/82/443615982.db2.gz LIKIDSOIBCLWEB-AWEZNQCLSA-N 1 0 335.448 1.173 20 10 EDCDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283535142 443655791 /nfs/dbraw/zinc/65/57/91/443655791.db2.gz POHKPWQASCSZKP-RHSMWYFYSA-N 1 0 344.459 1.064 20 10 EDCDRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283618263 443674343 /nfs/dbraw/zinc/67/43/43/443674343.db2.gz VXNAFYKCOQWXHP-UHFFFAOYSA-N 1 0 334.464 1.169 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@](C)(O)CC1)cc2=O ZINC000280218076 443676282 /nfs/dbraw/zinc/67/62/82/443676282.db2.gz VKBQDGGOXAHBFC-KRWDZBQOSA-N 1 0 348.403 1.349 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000298546378 443796568 /nfs/dbraw/zinc/79/65/68/443796568.db2.gz BWZWAWRUVDHSGS-MRXNPFEDSA-N 1 0 347.459 1.683 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292904956 443874743 /nfs/dbraw/zinc/87/47/43/443874743.db2.gz DTJGZOWETUHXEZ-QVLYEVLBSA-N 1 0 341.455 1.747 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](CO)C[C@@H]1C)cc2=O ZINC000289114442 444056256 /nfs/dbraw/zinc/05/62/56/444056256.db2.gz WKHDWLNBNGWROK-RYUDHWBXSA-N 1 0 348.403 1.204 20 10 EDCDRO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)nn1 ZINC000289690813 444191238 /nfs/dbraw/zinc/19/12/38/444191238.db2.gz IDIQBDUTVZKAGU-XGWLTEMNSA-N 1 0 332.404 1.729 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1F ZINC000360093062 445562889 /nfs/dbraw/zinc/56/28/89/445562889.db2.gz OLUOSIDNZUXXHA-CQSZACIVSA-N 1 0 331.395 1.520 20 10 EDCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(OC)ccc3O)C2)nn1 ZINC000363904919 445883786 /nfs/dbraw/zinc/88/37/86/445883786.db2.gz BSBZSZNDHCEAGE-GFCCVEGCSA-N 1 0 332.360 1.226 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC3(CC3)CC1)cc2=O ZINC000364631382 445939618 /nfs/dbraw/zinc/93/96/18/445939618.db2.gz ORYUYGGNEOWYAJ-UHFFFAOYSA-N 1 0 330.388 1.988 20 10 EDCDRO COCC[N@H+](C)CCCNC(=O)NCc1ccc2c(c1)CCN2C ZINC000369956050 446169575 /nfs/dbraw/zinc/16/95/75/446169575.db2.gz YMJIVUXKKNVJDB-UHFFFAOYSA-N 1 0 334.464 1.446 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](OC)CC1)cc2=O ZINC000376285480 446413887 /nfs/dbraw/zinc/41/38/87/446413887.db2.gz MXGOJBCRQVVSPW-ZDUSSCGKSA-N 1 0 348.403 1.613 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C2CC2)cc1 ZINC000376615677 446606156 /nfs/dbraw/zinc/60/61/56/446606156.db2.gz REPJLJFISHFBTA-IBGZPJMESA-N 1 0 342.487 1.634 20 10 EDCDRO Cn1ccnc(N2CCC([NH2+]Cc3cc(F)ccc3O)CC2)c1=O ZINC000376678345 446645773 /nfs/dbraw/zinc/64/57/73/446645773.db2.gz HPNIWXGPIOMFNO-UHFFFAOYSA-N 1 0 332.379 1.384 20 10 EDCDRO O=C1NCCCN1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000371398344 446830796 /nfs/dbraw/zinc/83/07/96/446830796.db2.gz LKKGHWGIIIVJGI-UHFFFAOYSA-N 1 0 333.388 1.501 20 10 EDCDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(O)c1O ZINC000375678738 446970481 /nfs/dbraw/zinc/97/04/81/446970481.db2.gz MTPLCMPZEWCRFY-UMVBOHGHSA-N 1 0 334.416 1.717 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(c3nnnn3C)CC2)cc1 ZINC000377577709 447217195 /nfs/dbraw/zinc/21/71/95/447217195.db2.gz VTUBSUYNPHJSMP-UHFFFAOYSA-N 1 0 343.479 1.815 20 10 EDCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c21 ZINC000592482146 448855197 /nfs/dbraw/zinc/85/51/97/448855197.db2.gz APTQLBDBMHNCLT-LBPRGKRZSA-N 1 0 341.371 1.830 20 10 EDCDRO NC(=O)[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662565723 453293165 /nfs/dbraw/zinc/29/31/65/453293165.db2.gz HDHPQHVYTTYBLQ-HNNXBMFYSA-N 1 0 335.407 1.637 20 10 EDCDRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2O)C1 ZINC000174854113 528055596 /nfs/dbraw/zinc/05/55/96/528055596.db2.gz KRVWJYIBLBZKCF-HNNXBMFYSA-N 1 0 334.416 1.626 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNCc3cc[nH]n3)CC2)cc1 ZINC000237271462 536696249 /nfs/dbraw/zinc/69/62/49/536696249.db2.gz PFVUPOQTGRQLEG-UHFFFAOYSA-N 1 0 329.448 1.720 20 10 EDCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390243 579450481 /nfs/dbraw/zinc/45/04/81/579450481.db2.gz DEERNTYLIIJFCA-RISCZKNCSA-N 1 0 330.388 1.418 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)CC3(O)CCC3)CC2)cc1 ZINC000759875622 580017679 /nfs/dbraw/zinc/01/76/79/580017679.db2.gz DNDQRNGFBOFZES-UHFFFAOYSA-N 1 0 347.459 1.191 20 10 EDCDRO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000727469740 578529617 /nfs/dbraw/zinc/52/96/17/578529617.db2.gz FAPWEHVGTDVOFD-HNNXBMFYSA-N 1 0 345.422 1.667 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1 ZINC000729929744 578602588 /nfs/dbraw/zinc/60/25/88/578602588.db2.gz PKYKGCCINOXHEM-RBUKOAKNSA-N 1 0 344.503 1.927 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CCCCO)C2CC2)cc1 ZINC000741386820 578664463 /nfs/dbraw/zinc/66/44/63/578664463.db2.gz MFOFGYBJSUIGDP-UHFFFAOYSA-N 1 0 333.476 1.948 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)CN(C)C3=O)cc2F)CC1 ZINC000777641683 580447341 /nfs/dbraw/zinc/44/73/41/580447341.db2.gz QLRDKLCFBCEFFR-UHFFFAOYSA-N 1 0 334.395 1.362 20 10 EDCDRO CC(=O)N1CCN(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756410849 579949675 /nfs/dbraw/zinc/94/96/75/579949675.db2.gz KLTDFFYURGBZKA-SWLSCSKDSA-N 1 0 335.423 1.833 20 10 EDCDRO C[C@@H]1C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756734801 579956247 /nfs/dbraw/zinc/95/62/47/579956247.db2.gz ZTRLVKSLABZELB-ZYHUDNBSSA-N 1 0 331.409 1.730 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000763010430 580089626 /nfs/dbraw/zinc/08/96/26/580089626.db2.gz CMJRYTXQBGUGAH-GOSISDBHSA-N 1 0 334.464 1.399 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000775374737 580389646 /nfs/dbraw/zinc/38/96/46/580389646.db2.gz DIJWXMRNAWWZCQ-WBMJQRKESA-N 1 0 334.416 1.831 20 10 EDCDRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715480 580398299 /nfs/dbraw/zinc/39/82/99/580398299.db2.gz ZFAARJAKKYDSFY-LNPFQXMTSA-N 1 0 335.517 1.780 20 10 EDCDRO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000787327837 580693107 /nfs/dbraw/zinc/69/31/07/580693107.db2.gz OMJGBPUHWDHJMS-PBHICJAKSA-N 1 0 347.459 1.594 20 10 EDCDRO CCCN1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000788268598 580715415 /nfs/dbraw/zinc/71/54/15/580715415.db2.gz DUEAWFCBZONAAC-UHFFFAOYSA-N 1 0 344.503 1.883 20 10 EDCDRO CNC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000793064756 580835067 /nfs/dbraw/zinc/83/50/67/580835067.db2.gz DDNMCFUDZUKHGS-CQSZACIVSA-N 1 0 345.365 1.718 20 10 EDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801518813 581078938 /nfs/dbraw/zinc/07/89/38/581078938.db2.gz VCMOHBLGEOKFSX-AWEZNQCLSA-N 1 0 326.462 1.886 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2csc(CO)n2)[NH+](C)C)cc1 ZINC000891250242 591019664 /nfs/dbraw/zinc/01/96/64/591019664.db2.gz VSHJJWJTBUCRRC-OAHLLOKOSA-N 1 0 348.472 1.734 20 10 EDCDRO Cc1nnccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252714 591020430 /nfs/dbraw/zinc/02/04/30/591020430.db2.gz MWSSBWHFYXRTET-KRWDZBQOSA-N 1 0 327.432 1.884 20 10 EDCDRO Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C ZINC000891256288 591022294 /nfs/dbraw/zinc/02/22/94/591022294.db2.gz XCOAHWYAZHKNLW-KRWDZBQOSA-N 1 0 329.448 1.827 20 10 EDCDRO CCOCc1cc(C[NH2+]CCS(=O)(=O)C2CC2)ccc1OC ZINC000840965187 591049646 /nfs/dbraw/zinc/04/96/46/591049646.db2.gz YRBNKJVCPXBUJM-UHFFFAOYSA-N 1 0 327.446 1.899 20 10 EDCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000891368510 591064083 /nfs/dbraw/zinc/06/40/83/591064083.db2.gz CTHPTDZWEDZVNZ-ZFWWWQNUSA-N 1 0 334.489 1.871 20 10 EDCDRO CCNC(=O)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891600077 591145711 /nfs/dbraw/zinc/14/57/11/591145711.db2.gz PWWWENRENIGRMN-XJKSGUPXSA-N 1 0 349.479 1.179 20 10 EDCDRO OCc1c[nH+]ccc1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894151366 591209326 /nfs/dbraw/zinc/20/93/26/591209326.db2.gz NHPKATCZASNSJG-UHFFFAOYSA-N 1 0 335.354 1.723 20 10 EDCDRO COC[C@@](C)(O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894251146 591247107 /nfs/dbraw/zinc/24/71/07/591247107.db2.gz NDGSAOKIAYKEAY-KRWDZBQOSA-N 1 0 338.379 1.591 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1OC ZINC000893002526 591251554 /nfs/dbraw/zinc/25/15/54/591251554.db2.gz UPVMWNOBJZLPRD-QWHCGFSZSA-N 1 0 343.445 1.855 20 10 EDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000898548655 591406383 /nfs/dbraw/zinc/40/63/83/591406383.db2.gz YOJYLIXNMFBFGF-GOSISDBHSA-N 1 0 331.460 1.748 20 10 EDCDRO CN(C)c1ccc([C@H](CNc2nccn3nnnc23)[NH+](C)C)cc1 ZINC000897524640 591526859 /nfs/dbraw/zinc/52/68/59/591526859.db2.gz BIHRHPQZXCHPSV-AWEZNQCLSA-N 1 0 326.408 1.300 20 10 EDCDRO CC[N@H+](CCC(N)=O)Cc1cc(Br)cc(OC)c1O ZINC000896715550 591592450 /nfs/dbraw/zinc/59/24/50/591592450.db2.gz UKSFIVRBXGVDCI-UHFFFAOYSA-N 1 0 331.210 1.861 20 10 EDCDRO COC[C@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101269 591681815 /nfs/dbraw/zinc/68/18/15/591681815.db2.gz GWXHADNELFYLLE-IAGOWNOFSA-N 1 0 334.464 1.786 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC000897047732 591721049 /nfs/dbraw/zinc/72/10/49/591721049.db2.gz XPWLMPDRVRKDST-DDKKJVIOSA-N 1 0 343.471 1.729 20 10 EDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517384 592009450 /nfs/dbraw/zinc/00/94/50/592009450.db2.gz LJGLEOHHSPEUIT-AYBZRNKSSA-N 1 0 334.508 1.712 20 10 EDCDRO [NH3+]CCSCc1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900600273 592065462 /nfs/dbraw/zinc/06/54/62/592065462.db2.gz GSDYZHXPJFZTJA-UHFFFAOYSA-N 1 0 333.461 1.355 20 10 EDCDRO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cc(F)ccc1O ZINC000903225023 592136846 /nfs/dbraw/zinc/13/68/46/592136846.db2.gz DGNMAUQSLQRAHQ-VIFPVBQESA-N 1 0 338.426 1.239 20 10 EDCDRO O=C(NCCc1ccc(O)c(O)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000901121510 592240658 /nfs/dbraw/zinc/24/06/58/592240658.db2.gz GOGOHUZQHHBGLS-UHFFFAOYSA-N 1 0 348.443 1.648 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1(O)CCCC1 ZINC000905052496 592381960 /nfs/dbraw/zinc/38/19/60/592381960.db2.gz QXAGIKVVFDTHMI-QGZVFWFLSA-N 1 0 336.501 1.995 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC000911225531 592968892 /nfs/dbraw/zinc/96/88/92/592968892.db2.gz GXPCMWOXZAYLRK-AUUYWEPGSA-N 1 0 344.459 1.284 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c3c(nn2C)CCC3)cc1 ZINC000911667333 592974024 /nfs/dbraw/zinc/97/40/24/592974024.db2.gz QBILFCIEJFLNGD-HNNXBMFYSA-N 1 0 327.432 1.405 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@]3(O)CCC[N@H+](C)C3)C2)cc1 ZINC000912293224 593083549 /nfs/dbraw/zinc/08/35/49/593083549.db2.gz WHBQHKUYLLLMEY-HNAYVOBHSA-N 1 0 347.459 1.237 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000807028023 593135957 /nfs/dbraw/zinc/13/59/57/593135957.db2.gz QFYOMCKVGVIHMG-CQSZACIVSA-N 1 0 346.475 1.530 20 10 EDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000808424735 593258147 /nfs/dbraw/zinc/25/81/47/593258147.db2.gz UWUBTHRUDUFHGY-CQSZACIVSA-N 1 0 327.450 1.061 20 10 EDCDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000802651897 593268710 /nfs/dbraw/zinc/26/87/10/593268710.db2.gz GJZVXTWMBMQQEQ-CYBMUJFWSA-N 1 0 340.376 1.936 20 10 EDCDRO CCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804031973 593382609 /nfs/dbraw/zinc/38/26/09/593382609.db2.gz ZOFCFAYSTWVQOS-UHFFFAOYSA-N 1 0 348.491 1.525 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888267 593645074 /nfs/dbraw/zinc/64/50/74/593645074.db2.gz CHNBPEFIWAZDTI-KYJSFNMBSA-N 1 0 330.476 1.476 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000817949788 593651344 /nfs/dbraw/zinc/65/13/44/593651344.db2.gz NCKFBLPQWQWHSA-HUUCEWRRSA-N 1 0 347.459 1.717 20 10 EDCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3C[NH2+]CCO3)c2C)cc1 ZINC000818008052 593656666 /nfs/dbraw/zinc/65/66/66/593656666.db2.gz OAQBKVYMHOLVPV-QGZVFWFLSA-N 1 0 343.427 1.821 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818103617 593668451 /nfs/dbraw/zinc/66/84/51/593668451.db2.gz ULRYEWFADHDMIA-HNNXBMFYSA-N 1 0 343.431 1.961 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C2)cc1 ZINC000818655731 593710599 /nfs/dbraw/zinc/71/05/99/593710599.db2.gz PQHSHJCUYHYNOW-AWEZNQCLSA-N 1 0 334.464 1.948 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000818982388 593732128 /nfs/dbraw/zinc/73/21/28/593732128.db2.gz LNLNQQDJGNNMDJ-OAHLLOKOSA-N 1 0 347.381 1.330 20 10 EDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819120444 593739966 /nfs/dbraw/zinc/73/99/66/593739966.db2.gz BPPKCJJASPVWDZ-UHFFFAOYSA-N 1 0 339.411 1.286 20 10 EDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](C)S(C)(=O)=O)C2)cc1 ZINC000819379290 593752522 /nfs/dbraw/zinc/75/25/22/593752522.db2.gz FGHOKZXNHHTXSG-KGLIPLIRSA-N 1 0 326.462 1.544 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNCc3nnc(C4CC4)[nH]3)cc2)CC1 ZINC000824603570 594046114 /nfs/dbraw/zinc/04/61/14/594046114.db2.gz VAWUOVIZYRQEQU-UHFFFAOYSA-N 1 0 326.448 1.724 20 10 EDCDRO COC[C@]1(CO)CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000825158727 594138343 /nfs/dbraw/zinc/13/83/43/594138343.db2.gz XKSMKHQYCVIPHS-CQSZACIVSA-N 1 0 330.222 1.986 20 10 EDCDRO COc1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000825635191 594209636 /nfs/dbraw/zinc/20/96/36/594209636.db2.gz WTVHWRWAHDHBMH-ZDUSSCGKSA-N 1 0 342.461 1.561 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](CO)[C@@H]1CC)cc2=O ZINC000830715127 594463071 /nfs/dbraw/zinc/46/30/71/594463071.db2.gz VTRYBRHDARAUTN-RISCZKNCSA-N 1 0 348.403 1.204 20 10 EDCDRO Fc1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)ccc1N1CCOCC1 ZINC000826846677 594587716 /nfs/dbraw/zinc/58/77/16/594587716.db2.gz XKAVXEHGZKJSOJ-INIZCTEOSA-N 1 0 345.422 1.776 20 10 EDCDRO Cc1cc(C[NH+]2CCC(O)(C(N)=O)CC2)ccc1N1CCCCC1 ZINC000829506337 594627930 /nfs/dbraw/zinc/62/79/30/594627930.db2.gz SFPCMQDSXXHDKQ-UHFFFAOYSA-N 1 0 331.460 1.798 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)cc2)C1 ZINC000827469347 594675193 /nfs/dbraw/zinc/67/51/93/594675193.db2.gz VLUVGXDUAIANKR-WBVHZDCISA-N 1 0 344.459 1.132 20 10 EDCDRO C[C@H](OC[C@@H]1CCCCO1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281618 594740059 /nfs/dbraw/zinc/74/00/59/594740059.db2.gz VCICZQFSVNVAOG-JCGIZDLHSA-N 1 0 349.475 1.843 20 10 EDCDRO CCCNC(=O)CCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832285169 594740438 /nfs/dbraw/zinc/74/04/38/594740438.db2.gz PCJRTJWKKWTITE-MRXNPFEDSA-N 1 0 334.464 1.565 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000840929584 594829476 /nfs/dbraw/zinc/82/94/76/594829476.db2.gz BOSKZYLGEOONJX-OAHLLOKOSA-N 1 0 325.478 1.575 20 10 EDCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000840963688 594833394 /nfs/dbraw/zinc/83/33/94/594833394.db2.gz SOEZZBQTAQQFPE-NVXWUHKLSA-N 1 0 338.423 1.539 20 10 EDCDRO C[NH2+]Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000841003364 594837741 /nfs/dbraw/zinc/83/77/41/594837741.db2.gz SDZDNZYHZDSBLU-UHFFFAOYSA-N 1 0 340.427 1.727 20 10 EDCDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019469 594840127 /nfs/dbraw/zinc/84/01/27/594840127.db2.gz IHKCPKRBEPSULD-QGZVFWFLSA-N 1 0 340.427 1.496 20 10 EDCDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841713311 594942096 /nfs/dbraw/zinc/94/20/96/594942096.db2.gz YFBZXZAMSLGZNM-WFASDCNBSA-N 1 0 336.411 1.293 20 10 EDCDRO C[NH2+]CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000841718428 594942527 /nfs/dbraw/zinc/94/25/27/594942527.db2.gz RLSRYZLUYRKHNG-STQMWFEESA-N 1 0 338.427 1.458 20 10 EDCDRO C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000841731076 594945071 /nfs/dbraw/zinc/94/50/71/594945071.db2.gz XLTLNOJAVNYIRF-WBVHZDCISA-N 1 0 346.475 1.711 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000841779815 594950898 /nfs/dbraw/zinc/95/08/98/594950898.db2.gz ZMVULECFDKEDFS-OAHLLOKOSA-N 1 0 346.475 1.963 20 10 EDCDRO CC(C)([NH3+])CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915376 594980760 /nfs/dbraw/zinc/98/07/60/594980760.db2.gz OYCPOWFYUMYIBG-UHFFFAOYSA-N 1 0 342.390 1.338 20 10 EDCDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841999921 594998522 /nfs/dbraw/zinc/99/85/22/594998522.db2.gz NSBUCQJABUVPKK-JZYVYDRUSA-N 1 0 326.194 1.172 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000842072943 595013303 /nfs/dbraw/zinc/01/33/03/595013303.db2.gz QKRNZAIHXBZFKP-LSDHHAIUSA-N 1 0 348.491 1.222 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842153558 595024723 /nfs/dbraw/zinc/02/47/23/595024723.db2.gz MZEBHCGCNRDCBB-CZUORRHYSA-N 1 0 346.475 1.121 20 10 EDCDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000842203087 595036949 /nfs/dbraw/zinc/03/69/49/595036949.db2.gz OLLHYVCNUVBRQP-ZIAGYGMSSA-N 1 0 346.475 1.516 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842202730 595037106 /nfs/dbraw/zinc/03/71/06/595037106.db2.gz KXCYVDNYXRBVGH-VNHYZAJKSA-N 1 0 332.448 1.126 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000842208393 595039636 /nfs/dbraw/zinc/03/96/36/595039636.db2.gz TVKFUMUUKCJGTB-GOEBONIOSA-N 1 0 346.475 1.406 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000842228418 595045502 /nfs/dbraw/zinc/04/55/02/595045502.db2.gz HCTRKMUUTWVNJD-ZBFHGGJFSA-N 1 0 346.475 1.215 20 10 EDCDRO Nc1ccc(CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000842237524 595049030 /nfs/dbraw/zinc/04/90/30/595049030.db2.gz DIYWLMMCAQAWNR-KRWDZBQOSA-N 1 0 344.459 1.014 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000843266563 595057859 /nfs/dbraw/zinc/05/78/59/595057859.db2.gz YERDXQFPCOWRHO-KBPBESRZSA-N 1 0 335.448 1.763 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000842266630 595060260 /nfs/dbraw/zinc/06/02/60/595060260.db2.gz WIJPHUDQVKHSIP-DZGCQCFKSA-N 1 0 333.432 1.245 20 10 EDCDRO CCON(C)C(=O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000846066438 595134370 /nfs/dbraw/zinc/13/43/70/595134370.db2.gz YHOUQZMPAPLSAQ-UHFFFAOYSA-N 1 0 331.210 1.963 20 10 EDCDRO COc1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000842721959 595180539 /nfs/dbraw/zinc/18/05/39/595180539.db2.gz NCOACALKKQAIDZ-ZDUSSCGKSA-N 1 0 349.408 1.725 20 10 EDCDRO COCC[C@H](C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785111 595197244 /nfs/dbraw/zinc/19/72/44/595197244.db2.gz OXVQVHRPSBYOQQ-SWLSCSKDSA-N 1 0 329.466 1.097 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cscn2)cc1 ZINC000842785008 595197709 /nfs/dbraw/zinc/19/77/09/595197709.db2.gz KAOSXUKEJSFGEZ-GFCCVEGCSA-N 1 0 326.447 1.187 20 10 EDCDRO CC[C@@H](CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)OC ZINC000842786323 595198117 /nfs/dbraw/zinc/19/81/17/595198117.db2.gz WSHWSBKBKYKOHL-GJZGRUSLSA-N 1 0 329.466 1.097 20 10 EDCDRO COCC(COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834891206 595237019 /nfs/dbraw/zinc/23/70/19/595237019.db2.gz NPKITURLIXEMKE-CYBMUJFWSA-N 1 0 326.412 1.974 20 10 EDCDRO CNS(=O)(=O)C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835028146 595247476 /nfs/dbraw/zinc/24/74/76/595247476.db2.gz JXJVKUXXYRXHHZ-SNAWJCMRSA-N 1 0 337.489 1.779 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnc3c(cnn3C)c2)cc1 ZINC000844162680 595287829 /nfs/dbraw/zinc/28/78/29/595287829.db2.gz LWWKGJXPMZKSBK-MRXNPFEDSA-N 1 0 338.415 1.464 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cn3ccccc3n2)cc1 ZINC000844162684 595287899 /nfs/dbraw/zinc/28/78/99/595287899.db2.gz LYULZDGBJBMAMS-QGZVFWFLSA-N 1 0 337.427 1.759 20 10 EDCDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843122294 595292460 /nfs/dbraw/zinc/29/24/60/595292460.db2.gz QIGWFBMECCCKAQ-GOSISDBHSA-N 1 0 341.459 1.403 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000844220448 595305784 /nfs/dbraw/zinc/30/57/84/595305784.db2.gz XAVWWILGOBARIM-QAPCUYQASA-N 1 0 346.475 1.013 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000844221335 595306394 /nfs/dbraw/zinc/30/63/94/595306394.db2.gz DATQZYBIJLLVEB-UHFFFAOYSA-N 1 0 346.475 1.029 20 10 EDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CNOC2)C1 ZINC000848058537 595312567 /nfs/dbraw/zinc/31/25/67/595312567.db2.gz DGMRDUJWEVDYIK-AWEZNQCLSA-N 1 0 343.427 1.854 20 10 EDCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847287881 595387806 /nfs/dbraw/zinc/38/78/06/595387806.db2.gz NIKQIGWVYKHTBO-ZWKOTPCHSA-N 1 0 344.459 1.247 20 10 EDCDRO C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000847357527 595403273 /nfs/dbraw/zinc/40/32/73/595403273.db2.gz ZCCJDXFMYNZWQJ-XOKHGSTOSA-N 1 0 332.448 1.274 20 10 EDCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000848900560 595464792 /nfs/dbraw/zinc/46/47/92/595464792.db2.gz NXCJEDZMVNBZNK-WBVHZDCISA-N 1 0 339.457 1.781 20 10 EDCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568041 595535648 /nfs/dbraw/zinc/53/56/48/595535648.db2.gz OHJTWGQKBXQAAA-KRWDZBQOSA-N 1 0 331.460 1.795 20 10 EDCDRO CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792015 595544991 /nfs/dbraw/zinc/54/49/91/595544991.db2.gz OXEMRKCKDLVFJR-ROUUACIJSA-N 1 0 348.491 1.810 20 10 EDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000852793211 595545789 /nfs/dbraw/zinc/54/57/89/595545789.db2.gz UQAPXZFGCZSIKJ-GDBMZVCRSA-N 1 0 332.448 1.003 20 10 EDCDRO O=C(C=C1CC[NH2+]CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852859793 595580922 /nfs/dbraw/zinc/58/09/22/595580922.db2.gz AOSCDOONUXDZHE-UHFFFAOYSA-N 1 0 333.407 1.588 20 10 EDCDRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000855232067 595637312 /nfs/dbraw/zinc/63/73/12/595637312.db2.gz QGWGSDMQWFQJPO-MRXNPFEDSA-N 1 0 346.475 1.028 20 10 EDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858324646 595764419 /nfs/dbraw/zinc/76/44/19/595764419.db2.gz DFXZJSIZIWPFCL-GFCCVEGCSA-N 1 0 325.384 1.160 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000851664508 595874959 /nfs/dbraw/zinc/87/49/59/595874959.db2.gz CQSNEOLSVKFOGD-LSDHHAIUSA-N 1 0 332.448 1.573 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000861571352 596032108 /nfs/dbraw/zinc/03/21/08/596032108.db2.gz BCKPXIRSHGQIDD-SUMWQHHRSA-N 1 0 332.448 1.714 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2)cc1 ZINC000852188085 596077677 /nfs/dbraw/zinc/07/76/77/596077677.db2.gz WGBHZUGRPUYOHC-HUUCEWRRSA-N 1 0 334.464 1.913 20 10 EDCDRO COc1ccc(N2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1F ZINC000852746648 596237660 /nfs/dbraw/zinc/23/76/60/596237660.db2.gz NSEVTWGNSQBVGU-OAHLLOKOSA-N 1 0 335.423 1.477 20 10 EDCDRO CCO[C@@H]1COCC[C@@H]1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000870932528 596410796 /nfs/dbraw/zinc/41/07/96/596410796.db2.gz HIWGQWKVIFZLSH-KBAYOESNSA-N 1 0 349.475 1.700 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000863753596 596674721 /nfs/dbraw/zinc/67/47/21/596674721.db2.gz ZKPCXNIIXISTFF-CQSZACIVSA-N 1 0 334.464 1.297 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000868357136 596799313 /nfs/dbraw/zinc/79/93/13/596799313.db2.gz OOUCCJFKTVXEOB-RDJZCZTQSA-N 1 0 344.459 1.064 20 10 EDCDRO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000872203205 596833938 /nfs/dbraw/zinc/83/39/38/596833938.db2.gz DBVCRYSAQXKYNI-HNNXBMFYSA-N 1 0 340.439 1.398 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875673254 596942599 /nfs/dbraw/zinc/94/25/99/596942599.db2.gz DLDYTENFIMIRIZ-YJBOKZPZSA-N 1 0 348.491 1.358 20 10 EDCDRO CCCOc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1C ZINC000873061155 597176569 /nfs/dbraw/zinc/17/65/69/597176569.db2.gz OHXLALMJSMCZIV-UHFFFAOYSA-N 1 0 341.473 1.813 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873119911 597202415 /nfs/dbraw/zinc/20/24/15/597202415.db2.gz RLVAAJOGPNPJCH-SJLPKXTDSA-N 1 0 345.443 1.675 20 10 EDCDRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507136 597224674 /nfs/dbraw/zinc/22/46/74/597224674.db2.gz WHORKZYNJLIOER-IAGOWNOFSA-N 1 0 334.464 1.419 20 10 EDCDRO C[C@H](NC(=O)c1c(C[NH3+])cnn1C)c1ccc(N2CCOCC2)cc1 ZINC000876740619 597316753 /nfs/dbraw/zinc/31/67/53/597316753.db2.gz JVKSYAQNOQBZFL-ZDUSSCGKSA-N 1 0 343.431 1.206 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000876768400 597332103 /nfs/dbraw/zinc/33/21/03/597332103.db2.gz VGJALJHLGIPRIB-HSZRJFAPSA-N 1 0 337.489 1.178 20 10 EDCDRO Cc1cccc(O)c1C[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000876798780 597343735 /nfs/dbraw/zinc/34/37/35/597343735.db2.gz OEELGZXKVVWXNY-CQSZACIVSA-N 1 0 338.415 1.849 20 10 EDCDRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876873026 597364144 /nfs/dbraw/zinc/36/41/44/597364144.db2.gz UHOMYAOFSVDJMD-YSVLISHTSA-N 1 0 336.407 1.847 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]CCC[C@H]3CCO3)CC2)cc1 ZINC000876981869 597404502 /nfs/dbraw/zinc/40/45/02/597404502.db2.gz YSRVYNGQDHTQGK-IBGZPJMESA-N 1 0 333.476 1.976 20 10 EDCDRO Cc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c(O)c1 ZINC000877008456 597410587 /nfs/dbraw/zinc/41/05/87/597410587.db2.gz LCLWADGISUPBGL-UHFFFAOYSA-N 1 0 326.462 1.299 20 10 EDCDRO Cn1ncnc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000877120239 597437280 /nfs/dbraw/zinc/43/72/80/597437280.db2.gz FLBAAKAUXJYPTR-UHFFFAOYSA-N 1 0 340.475 1.637 20 10 EDCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000877522545 597530157 /nfs/dbraw/zinc/53/01/57/597530157.db2.gz CCXDFMVSIIYVCG-CQSZACIVSA-N 1 0 327.450 1.061 20 10 EDCDRO OCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877559559 597535525 /nfs/dbraw/zinc/53/55/25/597535525.db2.gz ZAVNRBJGBFIOFY-LJQANCHMSA-N 1 0 347.503 1.584 20 10 EDCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1(CO)CCOCC1 ZINC000877643158 597543983 /nfs/dbraw/zinc/54/39/83/597543983.db2.gz AZKMIXORGXANHH-UHFFFAOYSA-N 1 0 334.460 1.621 20 10 EDCDRO Cn1nccc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883133529 597662673 /nfs/dbraw/zinc/66/26/73/597662673.db2.gz BMGLDKDMUZKWLQ-UHFFFAOYSA-N 1 0 342.447 1.171 20 10 EDCDRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647646 597673878 /nfs/dbraw/zinc/67/38/78/597673878.db2.gz HENPSZZJICDAIH-HIFRSBDPSA-N 1 0 334.416 1.987 20 10 EDCDRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000883300861 597706563 /nfs/dbraw/zinc/70/65/63/597706563.db2.gz KNJUPWOBAKFFPJ-QGZVFWFLSA-N 1 0 338.473 1.580 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(=O)[nH]c3)cc2)CC1 ZINC000881849151 597753275 /nfs/dbraw/zinc/75/32/75/597753275.db2.gz JQGPKMOPAYLWCN-UHFFFAOYSA-N 1 0 326.400 1.469 20 10 EDCDRO CC(=O)c1c[nH]c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881849961 597753755 /nfs/dbraw/zinc/75/37/55/597753755.db2.gz XVYAUONKBNVCIN-UHFFFAOYSA-N 1 0 340.427 1.899 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4n(n3)CCC4)cc2)CC1 ZINC000881853101 597755139 /nfs/dbraw/zinc/75/51/39/597755139.db2.gz JGPNQGNUBIOSTI-UHFFFAOYSA-N 1 0 339.443 1.511 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccnc3F)cc2)CC1 ZINC000881853747 597756262 /nfs/dbraw/zinc/75/62/62/597756262.db2.gz ITRNWMPMDGDEEE-UHFFFAOYSA-N 1 0 328.391 1.903 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccncc3)cc2)CC1 ZINC000879052029 597803675 /nfs/dbraw/zinc/80/36/75/597803675.db2.gz JEASZXCYYWNDMP-UHFFFAOYSA-N 1 0 325.416 1.577 20 10 EDCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000884194265 598022561 /nfs/dbraw/zinc/02/25/61/598022561.db2.gz DZJGOEZPYIVTPI-GOSISDBHSA-N 1 0 345.487 1.757 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[NH2+]CC3(C)C)C2)cc1 ZINC000884368527 598083418 /nfs/dbraw/zinc/08/34/18/598083418.db2.gz ATRMDJKSKHOJHI-PBHICJAKSA-N 1 0 331.460 1.883 20 10 EDCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)F ZINC000881273174 598114772 /nfs/dbraw/zinc/11/47/72/598114772.db2.gz NHPNJPGNLJFLAE-GFCCVEGCSA-N 1 0 326.391 1.891 20 10 EDCDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152491897 695168750 /nfs/dbraw/zinc/16/87/50/695168750.db2.gz XRSLZWLELCGJON-ZFWWWQNUSA-N 1 0 335.423 1.934 20 10 EDCDRO CCO[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C[NH+](C)C ZINC000919918620 697364232 /nfs/dbraw/zinc/36/42/32/697364232.db2.gz PCVIFOIOVGXRHD-SFHVURJKSA-N 1 0 346.475 1.829 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@H]2C)cc1C ZINC000939747302 699912896 /nfs/dbraw/zinc/91/28/96/699912896.db2.gz KICKZKBDJPEORJ-WMLDXEAASA-N 1 0 342.443 1.987 20 10 EDCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CC(N)=O)cc1C ZINC001004789217 707278148 /nfs/dbraw/zinc/27/81/48/707278148.db2.gz ZFWHOCLTFNQMIN-GOEBONIOSA-N 1 0 347.459 1.738 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3n[nH]nc3C)C2)cc1C ZINC000999857838 707443562 /nfs/dbraw/zinc/44/35/62/707443562.db2.gz PKAZNZZSIXKXJR-HNNXBMFYSA-N 1 0 343.431 1.825 20 10 EDCDRO COC[C@@H](C)[NH+]1CCC(NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001003245145 710169040 /nfs/dbraw/zinc/16/90/40/710169040.db2.gz QURFNUOTAFOSNU-GFCCVEGCSA-N 1 0 337.420 1.328 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000083073988 529781067 /nfs/dbraw/zinc/78/10/67/529781067.db2.gz VOFDPQVRQYRFBV-UHFFFAOYSA-N 1 0 346.475 1.759 20 10 EDCDRO COc1cccc(C[N@@H+]2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)c1O ZINC000372417997 250219109 /nfs/dbraw/zinc/21/91/09/250219109.db2.gz ZSHDFPLDGXZGKP-WBVHZDCISA-N 1 0 349.475 1.238 20 10 EDCDRO CCn1ccnc(N2CCC([NH2+]Cc3ccccc3O)CC2)c1=O ZINC000375280352 250280262 /nfs/dbraw/zinc/28/02/62/250280262.db2.gz TZEAXAHYPGHSDM-UHFFFAOYSA-N 1 0 328.416 1.727 20 10 EDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1O ZINC000377716280 250290097 /nfs/dbraw/zinc/29/00/97/250290097.db2.gz BNUWMOWCTSRYHS-JKIFEVAISA-N 1 0 334.416 1.707 20 10 EDCDRO O=C(C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)N1CCOCC1 ZINC000042912785 441798150 /nfs/dbraw/zinc/79/81/50/441798150.db2.gz ZZKVJTLJTDTAHZ-UHFFFAOYSA-N 1 0 348.399 1.192 20 10 EDCDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000159420616 441811995 /nfs/dbraw/zinc/81/19/95/441811995.db2.gz JHQNJDROKCJAKD-OAHLLOKOSA-N 1 0 339.455 1.891 20 10 EDCDRO CN(C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161830646 442037255 /nfs/dbraw/zinc/03/72/55/442037255.db2.gz MJLAKMHLJKSLJS-ZDUSSCGKSA-N 1 0 347.868 1.406 20 10 EDCDRO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1O ZINC000180631197 442638034 /nfs/dbraw/zinc/63/80/34/442638034.db2.gz AMGPSZDOSVOTFB-MRXNPFEDSA-N 1 0 331.460 1.829 20 10 EDCDRO CC[C@]1(CO)CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000187604676 442682188 /nfs/dbraw/zinc/68/21/88/442682188.db2.gz DPSIPCATCNCVEC-IBGZPJMESA-N 1 0 333.476 1.853 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1OC ZINC000181200417 442684189 /nfs/dbraw/zinc/68/41/89/442684189.db2.gz BHYPUCIAHLJVKV-NSHDSACASA-N 1 0 334.372 1.797 20 10 EDCDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268865813 443131286 /nfs/dbraw/zinc/13/12/86/443131286.db2.gz GDOBHWFVVCZGFW-ACJLOTCBSA-N 1 0 348.422 1.780 20 10 EDCDRO [NH3+]CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237866285 443184738 /nfs/dbraw/zinc/18/47/38/443184738.db2.gz KWOWWORXZYWTRY-UHFFFAOYSA-N 1 0 331.338 1.507 20 10 EDCDRO COCC[N@H+](C)CCCNC(=O)NCc1cccc(OC)c1O ZINC000266672239 443204198 /nfs/dbraw/zinc/20/41/98/443204198.db2.gz NUSDAEWRMYIWDX-UHFFFAOYSA-N 1 0 325.409 1.168 20 10 EDCDRO CC[NH+](CC)CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264601413 443342934 /nfs/dbraw/zinc/34/29/34/443342934.db2.gz CUXIGBTZMGURQG-JXMROGBWSA-N 1 0 331.460 1.994 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC([C@H](C)O)CC1)cc2=O ZINC000264698737 443380829 /nfs/dbraw/zinc/38/08/29/443380829.db2.gz HKDJAMBIBWUYLW-NSHDSACASA-N 1 0 348.403 1.204 20 10 EDCDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc(OC)c2O)C1 ZINC000278661811 443393820 /nfs/dbraw/zinc/39/38/20/443393820.db2.gz KRHZPSNMROJCEJ-HIFRSBDPSA-N 1 0 325.405 1.247 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000273574613 443580276 /nfs/dbraw/zinc/58/02/76/443580276.db2.gz LKJVGMJZVYGETA-AWEZNQCLSA-N 1 0 349.475 1.855 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](C)[C@H](OC)C1)cc2=O ZINC000275890629 443646386 /nfs/dbraw/zinc/64/63/86/443646386.db2.gz RZSSQCUHDRMHDG-SMDDNHRTSA-N 1 0 348.403 1.468 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCN(C)[C@H](c3nc(C)no3)C2)c1O ZINC000284938964 443793779 /nfs/dbraw/zinc/79/37/79/443793779.db2.gz DKDCOPQCCCWKEJ-AWEZNQCLSA-N 1 0 332.404 1.971 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000284279354 443771686 /nfs/dbraw/zinc/77/16/86/443771686.db2.gz XHGIDXCMKDXNST-OAHLLOKOSA-N 1 0 329.448 1.891 20 10 EDCDRO Cc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1N(C)C ZINC000293553902 444053184 /nfs/dbraw/zinc/05/31/84/444053184.db2.gz LKWKEQOISHBGFP-OAHLLOKOSA-N 1 0 325.478 1.527 20 10 EDCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278263340 444122866 /nfs/dbraw/zinc/12/28/66/444122866.db2.gz QVGNDNFABLHRMO-GFCCVEGCSA-N 1 0 340.376 1.794 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1C ZINC000289842823 444210443 /nfs/dbraw/zinc/21/04/43/444210443.db2.gz URBQCMQFQSATHH-KSSFIOAISA-N 1 0 331.416 1.962 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000296326547 444220809 /nfs/dbraw/zinc/22/08/09/444220809.db2.gz QMADNGQZSHVHIC-CRAIPNDOSA-N 1 0 347.459 1.189 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CCC(=O)OC)cc1F ZINC000289721633 444195237 /nfs/dbraw/zinc/19/52/37/444195237.db2.gz GDPLDVOCYUBZQZ-CQSZACIVSA-N 1 0 339.411 1.569 20 10 EDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359957146 445503797 /nfs/dbraw/zinc/50/37/97/445503797.db2.gz GNOHXFGAOUHVHW-IAGOWNOFSA-N 1 0 333.476 1.758 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1O ZINC000364677195 445944527 /nfs/dbraw/zinc/94/45/27/445944527.db2.gz YWTHXGCPMJEKGZ-CYBMUJFWSA-N 1 0 345.403 1.318 20 10 EDCDRO CN(C)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1F ZINC000365137270 446047505 /nfs/dbraw/zinc/04/75/05/446047505.db2.gz MIGBGAZHCAJXDK-HOTGVXAUSA-N 1 0 332.423 1.833 20 10 EDCDRO NC(=O)c1cc(OC2CC[NH+](Cc3ccccc3O)CC2)ccn1 ZINC000368052443 446623160 /nfs/dbraw/zinc/62/31/60/446623160.db2.gz WBHDYNITJNIFSA-UHFFFAOYSA-N 1 0 327.384 1.930 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1F ZINC000371091675 446623503 /nfs/dbraw/zinc/62/35/03/446623503.db2.gz WHYFAFNJYDSLCR-ACJLOTCBSA-N 1 0 348.422 1.702 20 10 EDCDRO O=C1NC(=O)[C@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@@H]12 ZINC000368351692 446805427 /nfs/dbraw/zinc/80/54/27/446805427.db2.gz JRBVWGZAFAUIEU-MNOVXSKESA-N 1 0 339.189 1.249 20 10 EDCDRO CCCOc1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000125141864 528662245 /nfs/dbraw/zinc/66/22/45/528662245.db2.gz FPGHCDNYMMOWJG-UHFFFAOYSA-N 1 0 342.461 1.648 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)C1 ZINC000742368055 579450167 /nfs/dbraw/zinc/45/01/67/579450167.db2.gz RCHRVGIJSBLBII-HNNXBMFYSA-N 1 0 343.427 1.763 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)N1c1cnn(C)c1 ZINC000742391046 579450602 /nfs/dbraw/zinc/45/06/02/579450602.db2.gz BGRUQPYQRKNMCP-WBMJQRKESA-N 1 0 326.400 1.639 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000727471878 578529482 /nfs/dbraw/zinc/52/94/82/578529482.db2.gz POYUZLVDWNJGIW-DLBZAZTESA-N 1 0 332.448 1.415 20 10 EDCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000777483599 580442289 /nfs/dbraw/zinc/44/22/89/580442289.db2.gz WGEOGHYEKAUFQS-CYBMUJFWSA-N 1 0 334.210 1.650 20 10 EDCDRO CCOCc1cc(C[NH2+]CCCN(C)S(C)(=O)=O)ccc1OC ZINC000747853728 579660865 /nfs/dbraw/zinc/66/08/65/579660865.db2.gz DHZIEJDICLTZRH-UHFFFAOYSA-N 1 0 344.477 1.603 20 10 EDCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(O)c1 ZINC000748099455 579669671 /nfs/dbraw/zinc/66/96/71/579669671.db2.gz WXTMXSJUKFOYCI-SCLBCKFNSA-N 1 0 347.415 1.601 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000754023396 579894223 /nfs/dbraw/zinc/89/42/23/579894223.db2.gz ALTDAOFVUHWKDJ-WMZOPIPTSA-N 1 0 333.476 1.520 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000754043836 579894622 /nfs/dbraw/zinc/89/46/22/579894622.db2.gz VXWQLPFVJTUNNC-LNLFQRSKSA-N 1 0 347.503 1.908 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000756103298 579943591 /nfs/dbraw/zinc/94/35/91/579943591.db2.gz BHRDLRHOYWPAPT-XLIONFOSSA-N 1 0 346.519 1.747 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H]3C(C)C)CC2)cc1 ZINC000759073504 579997917 /nfs/dbraw/zinc/99/79/17/579997917.db2.gz YZXPJVCOVFRUPC-AZUAARDMSA-N 1 0 347.503 1.908 20 10 EDCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000765979562 580155698 /nfs/dbraw/zinc/15/56/98/580155698.db2.gz LRGCIPXVERCJNC-QGZVFWFLSA-N 1 0 338.473 1.436 20 10 EDCDRO CCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768438605 580212719 /nfs/dbraw/zinc/21/27/19/580212719.db2.gz COUDFBCCCOYZMN-KRWDZBQOSA-N 1 0 348.443 1.946 20 10 EDCDRO CC(C)C(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768447209 580213196 /nfs/dbraw/zinc/21/31/96/580213196.db2.gz NJBNZIBVDYRFQV-MRXNPFEDSA-N 1 0 334.416 1.508 20 10 EDCDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000773295698 580332730 /nfs/dbraw/zinc/33/27/30/580332730.db2.gz JJBCFMTTZJDFMP-YOEHRIQHSA-N 1 0 333.480 1.359 20 10 EDCDRO CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775498261 580392427 /nfs/dbraw/zinc/39/24/27/580392427.db2.gz ZZSIUUORARGORC-AWEZNQCLSA-N 1 0 325.840 1.860 20 10 EDCDRO C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1CC(C)(C)O ZINC000780504586 580525052 /nfs/dbraw/zinc/52/50/52/580525052.db2.gz UBJPDRRDNZLNBV-BLLLJJGKSA-N 1 0 336.432 1.095 20 10 EDCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000782386475 580573538 /nfs/dbraw/zinc/57/35/38/580573538.db2.gz LWXHOLDQYYDQIB-QGZVFWFLSA-N 1 0 338.423 1.539 20 10 EDCDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1O ZINC000783521498 580600814 /nfs/dbraw/zinc/60/08/14/580600814.db2.gz ZVNKWEXEOFZHFX-NSHDSACASA-N 1 0 325.390 1.150 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000785424522 580643689 /nfs/dbraw/zinc/64/36/89/580643689.db2.gz JHKLBIKQPQQGOB-QGZVFWFLSA-N 1 0 344.459 1.064 20 10 EDCDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000792183599 580812726 /nfs/dbraw/zinc/81/27/26/580812726.db2.gz ACQZLVMKVVGRMB-INIZCTEOSA-N 1 0 347.434 1.859 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1O ZINC000793385518 580843185 /nfs/dbraw/zinc/84/31/85/580843185.db2.gz VMBTWLHKYJCTAZ-AWEZNQCLSA-N 1 0 343.221 1.861 20 10 EDCDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2CO1 ZINC000798957523 581012324 /nfs/dbraw/zinc/01/23/24/581012324.db2.gz FNZWBFGPGOTJBM-ZBFHGGJFSA-N 1 0 349.406 1.593 20 10 EDCDRO C[N@@H+]1CCN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1(C)C ZINC000799743156 581035838 /nfs/dbraw/zinc/03/58/38/581035838.db2.gz XSJQANFXUOMTNY-ALCCZGGFSA-N 1 0 333.432 1.253 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000800310281 581050330 /nfs/dbraw/zinc/05/03/30/581050330.db2.gz VRGRFYKYLOTKMQ-SWLSCSKDSA-N 1 0 342.461 1.598 20 10 EDCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806663071 590771268 /nfs/dbraw/zinc/77/12/68/590771268.db2.gz LNJCELNGPFOPAK-CABZTGNLSA-N 1 0 327.406 1.819 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C=C[C@H](CO)C2)[NH+](C)C)cc1 ZINC000893400098 590846870 /nfs/dbraw/zinc/84/68/70/590846870.db2.gz CIJIHEBNYBOLMB-YXJHDRRASA-N 1 0 346.475 1.592 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)N2C)[NH+](C)C)cc1 ZINC000891243309 591013716 /nfs/dbraw/zinc/01/37/16/591013716.db2.gz LLCUVVJEAJWKFV-HZPDHXFCSA-N 1 0 332.448 1.092 20 10 EDCDRO Cc1nnc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891245760 591014988 /nfs/dbraw/zinc/01/49/88/591014988.db2.gz ITGQSZVEXATFTI-MRXNPFEDSA-N 1 0 345.447 1.796 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2coc(CO)c2)[NH+](C)C)cc1 ZINC000891245551 591015244 /nfs/dbraw/zinc/01/52/44/591015244.db2.gz GJKKSJZCVADLGF-KRWDZBQOSA-N 1 0 331.416 1.871 20 10 EDCDRO CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246606 591016342 /nfs/dbraw/zinc/01/63/42/591016342.db2.gz BYKDWWFXEAQAMK-SJORKVTESA-N 1 0 348.491 1.619 20 10 EDCDRO Cc1nnc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248486 591016995 /nfs/dbraw/zinc/01/69/95/591016995.db2.gz NHBNBQXIFQPWEZ-OAHLLOKOSA-N 1 0 347.488 1.874 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2ccccc2=O)[NH+](C)C)cc1 ZINC000891256526 591022204 /nfs/dbraw/zinc/02/22/04/591022204.db2.gz YZPJSNOHIRYFDE-KRWDZBQOSA-N 1 0 342.443 1.333 20 10 EDCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c2cc(F)ccc2n1C ZINC000893864201 591119868 /nfs/dbraw/zinc/11/98/68/591119868.db2.gz SVNIYJORVJJLTE-NSHDSACASA-N 1 0 347.390 1.801 20 10 EDCDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1Cc2cccc(O)c2C1 ZINC000892754958 591163491 /nfs/dbraw/zinc/16/34/91/591163491.db2.gz CWEBCQCATMRQKA-CQSZACIVSA-N 1 0 331.416 1.576 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895769112 591268821 /nfs/dbraw/zinc/26/88/21/591268821.db2.gz MUKAACUQCRNYPS-IDOMTICXSA-N 1 0 329.444 1.651 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC(O)(COCCO)CC2)c1O ZINC000895826990 591278295 /nfs/dbraw/zinc/27/82/95/591278295.db2.gz HAABDRSIUIXOGS-UHFFFAOYSA-N 1 0 325.405 1.127 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c(O)c1OC ZINC000894526817 591333294 /nfs/dbraw/zinc/33/32/94/591333294.db2.gz HPQKXUNMJCQCIZ-SUMWQHHRSA-N 1 0 331.368 1.994 20 10 EDCDRO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CC[NH+](C)CC1 ZINC000896427870 591463982 /nfs/dbraw/zinc/46/39/82/591463982.db2.gz MKEJYGMGQBZJJC-LLVKDONJSA-N 1 0 349.456 1.678 20 10 EDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896457141 591472900 /nfs/dbraw/zinc/47/29/00/591472900.db2.gz ABVOTEDLUIZFNJ-ZWKOTPCHSA-N 1 0 347.507 1.749 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCc3nc[nH]c3C13CCOCC3)OCO2 ZINC000895071046 591566001 /nfs/dbraw/zinc/56/60/01/591566001.db2.gz JROOPVDHXHJSEL-UHFFFAOYSA-N 1 0 343.383 1.908 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(C(N)=O)C3)cc2)CC1 ZINC000897623356 591591405 /nfs/dbraw/zinc/59/14/05/591591405.db2.gz CWMPTUYTNZXHNE-PXNSSMCTSA-N 1 0 342.487 1.526 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@@H](CO)C2)[NH+](C)C)cc1 ZINC000899097962 591677337 /nfs/dbraw/zinc/67/73/37/591677337.db2.gz JLRWXTIWRSTKFT-UKPHBRMFSA-N 1 0 334.464 1.425 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2(O)CCCC2)[NH+](C)C)cc1 ZINC000899101278 591682063 /nfs/dbraw/zinc/68/20/63/591682063.db2.gz HXSNSKMYPDMYGX-QGZVFWFLSA-N 1 0 348.491 1.960 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1Cn1cccn1 ZINC000895325466 591713811 /nfs/dbraw/zinc/71/38/11/591713811.db2.gz QRRYGJNYBBMNRU-MRXNPFEDSA-N 1 0 328.416 1.554 20 10 EDCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895580296 591812572 /nfs/dbraw/zinc/81/25/72/591812572.db2.gz IHOQVECQSPIPKY-INIZCTEOSA-N 1 0 325.361 1.173 20 10 EDCDRO Cc1nnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC000898344625 591879272 /nfs/dbraw/zinc/87/92/72/591879272.db2.gz JLZQPQJAUHSIJX-OAHLLOKOSA-N 1 0 345.451 1.281 20 10 EDCDRO CCOC(=O)N1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)[C@@H](CO)C1 ZINC000898352418 591884915 /nfs/dbraw/zinc/88/49/15/591884915.db2.gz ZPXJHVPEDLETAX-ROEZOGTPSA-N 1 0 347.459 1.805 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3CC(=O)[O-])cc2)CC1 ZINC000902002002 591890732 /nfs/dbraw/zinc/89/07/32/591890732.db2.gz LMBSHQFKFRYHQF-QGZVFWFLSA-N 1 0 333.432 1.114 20 10 EDCDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000903098128 592120353 /nfs/dbraw/zinc/12/03/53/592120353.db2.gz YIDVBMYXKOAMHB-SJORKVTESA-N 1 0 338.473 1.579 20 10 EDCDRO CN(C)c1ccc(/C=C\CN2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)cc1 ZINC000904483681 592270648 /nfs/dbraw/zinc/27/06/48/592270648.db2.gz BKCVBRDPOOLDSR-IFOCYFHOSA-N 1 0 325.460 1.926 20 10 EDCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCCC3)cc2)CC1 ZINC000905340656 592511414 /nfs/dbraw/zinc/51/14/14/592511414.db2.gz IRMJEKXHWCFCTE-IBGZPJMESA-N 1 0 348.487 1.651 20 10 EDCDRO COC[C@H](C)NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905529086 592562903 /nfs/dbraw/zinc/56/29/03/592562903.db2.gz IOBQAFZVCCYBCQ-AWEZNQCLSA-N 1 0 336.505 1.437 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccnc(F)c3)CC1)[C@H](O)CO2 ZINC000840117866 593201356 /nfs/dbraw/zinc/20/13/56/593201356.db2.gz AEDLKBHHOHJTTE-MRXNPFEDSA-N 1 0 345.374 1.674 20 10 EDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000839640736 593361694 /nfs/dbraw/zinc/36/16/94/593361694.db2.gz QHJYRODMDVHFLY-MRXNPFEDSA-N 1 0 346.475 1.121 20 10 EDCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000814171134 593577554 /nfs/dbraw/zinc/57/75/54/593577554.db2.gz HSBOFSSSQYBLQI-QGZVFWFLSA-N 1 0 339.505 1.999 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)CC[C@@H]3C)CC2)cc1 ZINC000817286659 593588969 /nfs/dbraw/zinc/58/89/69/593588969.db2.gz XDXFHMIGMPJJEX-RDJZCZTQSA-N 1 0 347.459 1.189 20 10 EDCDRO COc1cc(Br)cc(C[N@H+](C[C@@H](O)CO)C(C)C)c1O ZINC000817417785 593603459 /nfs/dbraw/zinc/60/34/59/593603459.db2.gz PMYUBXAVMIEYMG-GFCCVEGCSA-N 1 0 348.237 1.727 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000817832176 593638636 /nfs/dbraw/zinc/63/86/36/593638636.db2.gz APIGSHZRUPLROK-PBHICJAKSA-N 1 0 346.475 1.482 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000817993144 593654497 /nfs/dbraw/zinc/65/44/97/593654497.db2.gz AFKMAGXADDXRDL-AWEZNQCLSA-N 1 0 334.464 1.297 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000818613193 593707950 /nfs/dbraw/zinc/70/79/50/593707950.db2.gz ISJJXWHIGUBIPB-LSDHHAIUSA-N 1 0 333.432 1.016 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000818654628 593710449 /nfs/dbraw/zinc/71/04/49/593710449.db2.gz DACKZHLGTXZAGC-DAYGRLMNSA-N 1 0 346.475 1.819 20 10 EDCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)S(C)(=O)=O ZINC000819122208 593740117 /nfs/dbraw/zinc/74/01/17/593740117.db2.gz SQVZUBQFCNTCBZ-LBPRGKRZSA-N 1 0 344.452 1.310 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNOCC(C)C)CC2)cc1 ZINC000819183597 593743278 /nfs/dbraw/zinc/74/32/78/593743278.db2.gz GZWBFPSSCLKXGZ-QGZVFWFLSA-N 1 0 337.464 1.355 20 10 EDCDRO COCC[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824542512 594035686 /nfs/dbraw/zinc/03/56/86/594035686.db2.gz VETCDXNBRQNPSN-UHFFFAOYSA-N 1 0 329.238 1.919 20 10 EDCDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1C ZINC000825148676 594136570 /nfs/dbraw/zinc/13/65/70/594136570.db2.gz ZJSWVCSKANIHAS-KRWDZBQOSA-N 1 0 331.460 1.795 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000829764480 594258216 /nfs/dbraw/zinc/25/82/16/594258216.db2.gz MKYQEATZVNLMON-AWEZNQCLSA-N 1 0 327.432 1.791 20 10 EDCDRO CCOc1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)nn1 ZINC000827793444 594278625 /nfs/dbraw/zinc/27/86/25/594278625.db2.gz PMWFTCPVOGZFMH-UHFFFAOYSA-N 1 0 344.415 1.912 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000828519112 594444062 /nfs/dbraw/zinc/44/40/62/594444062.db2.gz FXWNKZYTOQWJHJ-CYBMUJFWSA-N 1 0 340.807 1.641 20 10 EDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)COCC[NH3+] ZINC000830802940 594482264 /nfs/dbraw/zinc/48/22/64/594482264.db2.gz FBOUGDDRJHFCJY-UHFFFAOYSA-N 1 0 331.210 1.479 20 10 EDCDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000828932228 594532642 /nfs/dbraw/zinc/53/26/42/594532642.db2.gz NVEWZYLGOGEYNB-SFHVURJKSA-N 1 0 330.476 1.440 20 10 EDCDRO COC(=O)CN1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000826846576 594587486 /nfs/dbraw/zinc/58/74/86/594587486.db2.gz WJLROAKGIFWNBP-INIZCTEOSA-N 1 0 347.459 1.501 20 10 EDCDRO C[C@H]1CN(c2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000827365626 594665094 /nfs/dbraw/zinc/66/50/94/594665094.db2.gz RZODFLPRVVMELN-STQMWFEESA-N 1 0 335.423 1.665 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000827468613 594674993 /nfs/dbraw/zinc/67/49/93/594674993.db2.gz BCYQMWROMWITDL-HZPDHXFCSA-N 1 0 344.459 1.004 20 10 EDCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469375 594675189 /nfs/dbraw/zinc/67/51/89/594675189.db2.gz WAMGHAMVMFVKCD-HOCLYGCPSA-N 1 0 346.475 1.393 20 10 EDCDRO CCN(CC)C(=O)CCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279623 594739949 /nfs/dbraw/zinc/73/99/49/594739949.db2.gz KWRKAILNCDPNQI-QGZVFWFLSA-N 1 0 348.491 1.907 20 10 EDCDRO COc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000832284380 594740230 /nfs/dbraw/zinc/74/02/30/594740230.db2.gz JYPGTJCHODYXIY-HNNXBMFYSA-N 1 0 329.400 1.897 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c(O)c1C ZINC000840896464 594824473 /nfs/dbraw/zinc/82/44/73/594824473.db2.gz JTVVODVQPLBSOM-CYBMUJFWSA-N 1 0 331.420 1.830 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841012151 594838906 /nfs/dbraw/zinc/83/89/06/594838906.db2.gz ZDEDNJQCJNFUPL-CQSZACIVSA-N 1 0 332.448 1.149 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711442 594941758 /nfs/dbraw/zinc/94/17/58/594941758.db2.gz CGDFBQDNUAFJMI-CYBMUJFWSA-N 1 0 338.427 1.460 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N3CCCO[C@@H](C[NH3+])C3)ccc21 ZINC000841760364 594948259 /nfs/dbraw/zinc/94/82/59/594948259.db2.gz UPGWILKTUDQORF-INIZCTEOSA-N 1 0 332.448 1.328 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000841778431 594950552 /nfs/dbraw/zinc/95/05/52/594950552.db2.gz BBFPUXMKPDHCQH-KDOFPFPSSA-N 1 0 346.475 1.961 20 10 EDCDRO CC[NH2+]CCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000841779282 594951268 /nfs/dbraw/zinc/95/12/68/594951268.db2.gz PYGRLYZHOHWKCI-UHFFFAOYSA-N 1 0 334.464 1.963 20 10 EDCDRO COc1cc(C)cc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c1O ZINC000836428159 594962681 /nfs/dbraw/zinc/96/26/81/594962681.db2.gz FCZIUBCBFSTJGA-CQSZACIVSA-N 1 0 347.459 1.494 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)c2c(F)cccc2F)cc1 ZINC000841846690 594963752 /nfs/dbraw/zinc/96/37/52/594963752.db2.gz SJOQOXHNCWJQQO-NVXWUHKLSA-N 1 0 348.397 1.847 20 10 EDCDRO CCC[NH2+]CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000841961051 594990106 /nfs/dbraw/zinc/99/01/06/594990106.db2.gz IWFSREXJXQQHCG-UHFFFAOYSA-N 1 0 334.464 1.917 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841981423 594994746 /nfs/dbraw/zinc/99/47/46/594994746.db2.gz BOCZEZWMIRZSTQ-SJORKVTESA-N 1 0 346.475 1.935 20 10 EDCDRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000842036277 595006641 /nfs/dbraw/zinc/00/66/41/595006641.db2.gz MFOKGXUJGNAXCO-UHFFFAOYSA-N 1 0 346.475 1.217 20 10 EDCDRO CC1CC[NH+](CCCNC(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842045902 595009348 /nfs/dbraw/zinc/00/93/48/595009348.db2.gz KWFPBUOTIHMDTB-UHFFFAOYSA-N 1 0 346.475 1.166 20 10 EDCDRO CCCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CC[NH2+]C1 ZINC000842154851 595025099 /nfs/dbraw/zinc/02/50/99/595025099.db2.gz XLOXYLVQSCHNAS-KRWDZBQOSA-N 1 0 346.475 1.278 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000842202478 595036418 /nfs/dbraw/zinc/03/64/18/595036418.db2.gz HUUJKDSRUZIQKR-ZDUSSCGKSA-N 1 0 332.448 1.270 20 10 EDCDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842212315 595041058 /nfs/dbraw/zinc/04/10/58/595041058.db2.gz FYZGPIJVKZQMIW-MRXNPFEDSA-N 1 0 332.448 1.003 20 10 EDCDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842214343 595041416 /nfs/dbraw/zinc/04/14/16/595041416.db2.gz PJGYSCFVRDYDKM-YOEHRIQHSA-N 1 0 344.459 1.017 20 10 EDCDRO C[NH2+]CCCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842224131 595043787 /nfs/dbraw/zinc/04/37/87/595043787.db2.gz KAKIDNVJNCCLFL-UHFFFAOYSA-N 1 0 345.399 1.240 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000842233695 595047023 /nfs/dbraw/zinc/04/70/23/595047023.db2.gz FNHJJEAWCULGHH-UHFFFAOYSA-N 1 0 335.448 1.635 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000842233801 595047126 /nfs/dbraw/zinc/04/71/26/595047126.db2.gz IDEOVIDNTQFRQF-UHFFFAOYSA-N 1 0 333.432 1.389 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1 ZINC000843297360 595066107 /nfs/dbraw/zinc/06/61/07/595066107.db2.gz HMYRJCOKZMWNJT-SJORKVTESA-N 1 0 344.459 1.270 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000846152804 595158502 /nfs/dbraw/zinc/15/85/02/595158502.db2.gz DEMCWWNRNSXQFE-WFASDCNBSA-N 1 0 334.416 1.831 20 10 EDCDRO C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783939 595197272 /nfs/dbraw/zinc/19/72/72/595197272.db2.gz FVPQTTLNKWYESY-MLGOLLRUSA-N 1 0 340.493 1.317 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000835041669 595252347 /nfs/dbraw/zinc/25/23/47/595252347.db2.gz ZFGHNRBMJCNIIT-WRFKIARRSA-N 1 0 339.443 1.894 20 10 EDCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCCN12 ZINC000835074157 595257527 /nfs/dbraw/zinc/25/75/27/595257527.db2.gz QMTGKHXBYCYJMU-ZWKOTPCHSA-N 1 0 329.444 1.766 20 10 EDCDRO Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000844163296 595288062 /nfs/dbraw/zinc/28/80/62/595288062.db2.gz XQSCEFNSLCBLQU-WMLDXEAASA-N 1 0 329.448 1.943 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000846673340 595298206 /nfs/dbraw/zinc/29/82/06/595298206.db2.gz ROIHCQMLPWXWGP-HNNXBMFYSA-N 1 0 335.423 1.668 20 10 EDCDRO CN(Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(N2CCOCC2)cc1 ZINC000844220275 595305512 /nfs/dbraw/zinc/30/55/12/595305512.db2.gz CAOYCWBWCCJIKI-UHFFFAOYSA-N 1 0 345.447 1.732 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN[C@](C)(C[NH3+])C3CC3)CC2)cc1 ZINC000844220736 595306157 /nfs/dbraw/zinc/30/61/57/595306157.db2.gz MBAZHZIZZKEUCB-LJQANCHMSA-N 1 0 346.475 1.061 20 10 EDCDRO COc1ccc(N2CCC(N3C(=O)N[C@H](CCF)C3=O)CC2)cc1 ZINC000844714511 595381430 /nfs/dbraw/zinc/38/14/30/595381430.db2.gz OVPZRIQTGLAZOH-OAHLLOKOSA-N 1 0 335.379 1.944 20 10 EDCDRO Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848613106 595417899 /nfs/dbraw/zinc/41/78/99/595417899.db2.gz CZYUJZARGZSZAV-IAGOWNOFSA-N 1 0 344.459 1.061 20 10 EDCDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848891531 595463481 /nfs/dbraw/zinc/46/34/81/595463481.db2.gz ZTDQDTOCLLUJPT-UHFFFAOYSA-N 1 0 348.443 1.846 20 10 EDCDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000852789560 595543442 /nfs/dbraw/zinc/54/34/42/595543442.db2.gz BQFANOVICDLEQA-GOEBONIOSA-N 1 0 335.423 1.530 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000852791739 595545039 /nfs/dbraw/zinc/54/50/39/595545039.db2.gz LHXBIMNNXSFEPU-HNNXBMFYSA-N 1 0 339.399 1.072 20 10 EDCDRO C[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC[NH2+]C1 ZINC000852917189 595613255 /nfs/dbraw/zinc/61/32/55/595613255.db2.gz XBWGGVBKJBIRMD-IBGZPJMESA-N 1 0 331.460 1.654 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000855234152 595638432 /nfs/dbraw/zinc/63/84/32/595638432.db2.gz TXOPVGCBVUYCPA-HZPDHXFCSA-N 1 0 347.459 1.358 20 10 EDCDRO CN(C)c1cc(F)c(CNCCC[NH+]2CCC(O)CC2)cc1F ZINC000858106384 595701220 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COc1ccc(N2CC[NH+](CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000851714747 595894332 /nfs/dbraw/zinc/89/43/32/595894332.db2.gz VLXZEWDJIACVTP-CALCHBBNSA-N 1 0 333.476 1.926 20 10 EDCDRO COc1ccc(N2CC[NH+](CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000851714749 595894416 /nfs/dbraw/zinc/89/44/16/595894416.db2.gz VLXZEWDJIACVTP-IRXDYDNUSA-N 1 0 333.476 1.926 20 10 EDCDRO CC(C)[N@H+](CCN1C(=O)CN(C)C1=O)Cc1ccc(N(C)C)cc1 ZINC000851731953 595900413 /nfs/dbraw/zinc/90/04/13/595900413.db2.gz DUCIQHSVCYXWLV-UHFFFAOYSA-N 1 0 332.448 1.857 20 10 EDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000856209567 595925989 /nfs/dbraw/zinc/92/59/89/595925989.db2.gz SLRCLUQODDLEIJ-RDTXWAMCSA-N 1 0 331.460 1.604 20 10 EDCDRO C[C@@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000851950864 595982721 /nfs/dbraw/zinc/98/27/21/595982721.db2.gz TUBPRIBLIVICPR-KUHUBIRLSA-N 1 0 327.428 1.776 20 10 EDCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861766166 596095209 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CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299926 596775185 /nfs/dbraw/zinc/77/51/85/596775185.db2.gz PNGHMXXSZWLBNI-UHFFFAOYSA-N 1 0 339.395 1.983 20 10 EDCDRO COc1cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872714749 597042237 /nfs/dbraw/zinc/04/22/37/597042237.db2.gz OYRHMJSOFSYXLE-OKILXGFUSA-N 1 0 346.427 1.745 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1Cn1cccn1 ZINC000873116795 597201187 /nfs/dbraw/zinc/20/11/87/597201187.db2.gz NAUFDIYYOVPTQJ-KSSFIOAISA-N 1 0 331.416 1.570 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000875120779 597290010 /nfs/dbraw/zinc/29/00/10/597290010.db2.gz DAONTUCXEDLZFG-KRWDZBQOSA-N 1 0 334.464 1.399 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1 ZINC000876873079 597363989 /nfs/dbraw/zinc/36/39/89/597363989.db2.gz VJVMLGLJZFPECE-QHCPKHFHSA-N 1 0 337.489 1.212 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000875390428 597410715 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CC[C@]1(CO)CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000189630947 442986577 /nfs/dbraw/zinc/98/65/77/442986577.db2.gz ABKHZMHLYYNQJC-LJQANCHMSA-N 1 0 333.476 1.948 20 10 EDCDRO CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264628418 443353838 /nfs/dbraw/zinc/35/38/38/443353838.db2.gz UENIGHZUBRGESK-AWEZNQCLSA-N 1 0 335.404 1.219 20 10 EDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000269704801 443403381 /nfs/dbraw/zinc/40/33/81/443403381.db2.gz ZJMVTEKRATUIBR-INIZCTEOSA-N 1 0 333.432 1.396 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1F ZINC000278977611 443480039 /nfs/dbraw/zinc/48/00/39/443480039.db2.gz JQLUKCNBEVFHMV-LBPRGKRZSA-N 1 0 331.395 1.622 20 10 EDCDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2O)C1 ZINC000271126383 443491373 /nfs/dbraw/zinc/49/13/73/443491373.db2.gz HLVRTDBSGHNXBY-DZGCQCFKSA-N 1 0 336.432 1.764 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)c1 ZINC000278806257 443446680 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1.252 20 10 EDCDRO COc1cccc(C[NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)c1O ZINC000275574651 443631412 /nfs/dbraw/zinc/63/14/12/443631412.db2.gz OPDCTSZLKIMARI-AWEZNQCLSA-N 1 0 344.415 1.253 20 10 EDCDRO COc1cc(Cl)cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1O ZINC000284260518 443771033 /nfs/dbraw/zinc/77/10/33/443771033.db2.gz GGROUHXKAJXETR-RYUDHWBXSA-N 1 0 328.840 1.941 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284518236 443777946 /nfs/dbraw/zinc/77/79/46/443777946.db2.gz LREZNOHMKZRBDO-RDTXWAMCSA-N 1 0 344.415 1.586 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000292810212 443848652 /nfs/dbraw/zinc/84/86/52/443848652.db2.gz OPMPUKPIVGHLCE-CYBMUJFWSA-N 1 0 329.441 1.357 20 10 EDCDRO C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000299107982 443956888 /nfs/dbraw/zinc/95/68/88/443956888.db2.gz OAOXFGNRDAGVMJ-UHFFFAOYSA-N 1 0 332.448 1.370 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000299530745 444071142 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CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000365848178 446369731 /nfs/dbraw/zinc/36/97/31/446369731.db2.gz NHBCKMMMVYLQKR-LJQANCHMSA-N 1 0 331.460 1.558 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1F ZINC000371091678 446623633 /nfs/dbraw/zinc/62/36/33/446623633.db2.gz WHYFAFNJYDSLCR-UGSOOPFHSA-N 1 0 348.422 1.702 20 10 EDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(N)=O)C1 ZINC000435625452 446704556 /nfs/dbraw/zinc/70/45/56/446704556.db2.gz LMZMFYWOSIGNPS-UHFFFAOYSA-N 1 0 328.416 1.009 20 10 EDCDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000298126318 521962858 /nfs/dbraw/zinc/96/28/58/521962858.db2.gz PQUZHWHWIIWPRM-UHFFFAOYSA-N 1 0 349.456 1.545 20 10 EDCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(=O)NC2CC2)cc1 ZINC000741677785 579423699 /nfs/dbraw/zinc/42/36/99/579423699.db2.gz BOWAMVRAYSRWFS-UHFFFAOYSA-N 1 0 332.448 1.953 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000729919763 578599252 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COC[C@@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000765403135 580141136 /nfs/dbraw/zinc/14/11/36/580141136.db2.gz RPMNSYJCFGTLBW-LJQANCHMSA-N 1 0 333.476 1.832 20 10 EDCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000768381768 580211827 /nfs/dbraw/zinc/21/18/27/580211827.db2.gz GWTSYSNISMRBTK-UHFFFAOYSA-N 1 0 342.399 1.217 20 10 EDCDRO CC(C)C(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768447204 580213275 /nfs/dbraw/zinc/21/32/75/580213275.db2.gz NJBNZIBVDYRFQV-INIZCTEOSA-N 1 0 334.416 1.508 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768464445 580213966 /nfs/dbraw/zinc/21/39/66/580213966.db2.gz RMFCJOLFFCEFKM-MRXNPFEDSA-N 1 0 338.473 1.785 20 10 EDCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769388808 580235500 /nfs/dbraw/zinc/23/55/00/580235500.db2.gz HXNXUAOUUSNAOK-UHFFFAOYSA-N 1 0 342.461 1.647 20 10 EDCDRO COc1ccc(N2CC[NH+](C3CCN(C(C)=O)CC3)CC2)cc1F ZINC000770303691 580257714 /nfs/dbraw/zinc/25/77/14/580257714.db2.gz YCMKGJZXYWYYIM-UHFFFAOYSA-N 1 0 335.423 1.967 20 10 EDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773369173 580335520 /nfs/dbraw/zinc/33/55/20/580335520.db2.gz BMKYZBZROCAZDI-CVEARBPZSA-N 1 0 347.507 1.749 20 10 EDCDRO CCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](OCCOC)C2)c(O)c1 ZINC000775206695 580385681 /nfs/dbraw/zinc/38/56/81/580385681.db2.gz XQUIDMLDHONXPA-PBHICJAKSA-N 1 0 339.432 1.637 20 10 EDCDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)ccc1N1CCCCC1 ZINC000776011193 580406217 /nfs/dbraw/zinc/40/62/17/580406217.db2.gz ZZOUVGFWAYIQRB-GJZGRUSLSA-N 1 0 335.404 1.513 20 10 EDCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000795654633 580932947 /nfs/dbraw/zinc/93/29/47/580932947.db2.gz UQYFIJJKFNGYFQ-OAHLLOKOSA-N 1 0 326.462 1.865 20 10 EDCDRO COc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(O)cc1C ZINC000795653163 580932982 /nfs/dbraw/zinc/93/29/82/580932982.db2.gz PJAOORGBITWVDM-CQSZACIVSA-N 1 0 342.461 1.565 20 10 EDCDRO CCCC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1ccccc1O ZINC000801599204 581081245 /nfs/dbraw/zinc/08/12/45/581081245.db2.gz FGYLHKZMRVYHNS-CQSZACIVSA-N 1 0 335.448 1.587 20 10 EDCDRO COc1ccc(O)c([C@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)c1 ZINC000866841543 590627532 /nfs/dbraw/zinc/62/75/32/590627532.db2.gz FYKQZKZWUBBKEH-ZDUSSCGKSA-N 1 0 342.461 1.867 20 10 EDCDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)CC2 ZINC000893133486 590675438 /nfs/dbraw/zinc/67/54/38/590675438.db2.gz BUCQMMVDBWJIFG-LBPRGKRZSA-N 1 0 348.403 1.252 20 10 EDCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892132899 590816140 /nfs/dbraw/zinc/81/61/40/590816140.db2.gz BAESOBKBSQGIDM-CYBMUJFWSA-N 1 0 325.405 1.894 20 10 EDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893557930 590959257 /nfs/dbraw/zinc/95/92/57/590959257.db2.gz IUQOATKWBISYPD-MRXNPFEDSA-N 1 0 327.377 1.467 20 10 EDCDRO COc1ccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c(O)c1OC ZINC000893582586 590986431 /nfs/dbraw/zinc/98/64/31/590986431.db2.gz VRLWTYLTJXRMCB-UHFFFAOYSA-N 1 0 344.415 1.830 20 10 EDCDRO Cc1ccnn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246044 591015455 /nfs/dbraw/zinc/01/54/55/591015455.db2.gz LRYDXCGGXCUVRA-KRWDZBQOSA-N 1 0 329.448 1.677 20 10 EDCDRO Cc1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891258575 591022821 /nfs/dbraw/zinc/02/28/21/591022821.db2.gz UVIIPLOJCLKWSR-QGZVFWFLSA-N 1 0 327.432 1.884 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891413854 591070806 /nfs/dbraw/zinc/07/08/06/591070806.db2.gz CGRVDEATZRXCAN-IYBDPMFKSA-N 1 0 330.432 1.169 20 10 EDCDRO CNC(=O)CC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000893999544 591163775 /nfs/dbraw/zinc/16/37/75/591163775.db2.gz SHGJNTIRGROAAS-UHFFFAOYSA-N 1 0 335.379 1.672 20 10 EDCDRO COC(=O)c1c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c2cc(F)ccc2n1C ZINC000894097157 591193053 /nfs/dbraw/zinc/19/30/53/591193053.db2.gz DAOGEGIXGYNFJX-TXEJJXNPSA-N 1 0 331.391 1.755 20 10 EDCDRO COc1cccc(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)c1O ZINC000896117975 591349698 /nfs/dbraw/zinc/34/96/98/591349698.db2.gz VFDSGOOERVHMSL-AWEZNQCLSA-N 1 0 330.388 1.821 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1O ZINC000894859393 591448108 /nfs/dbraw/zinc/44/81/08/591448108.db2.gz IHODLSUDJHQLDV-HNNXBMFYSA-N 1 0 332.404 1.630 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2c[nH]cn2)[NH+](C)C)cc1 ZINC000899099217 591689421 /nfs/dbraw/zinc/68/94/21/591689421.db2.gz XAGAQVDLMYQPQZ-KRWDZBQOSA-N 1 0 344.463 1.920 20 10 EDCDRO COc1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c(O)c1OC ZINC000897010782 591714428 /nfs/dbraw/zinc/71/44/28/591714428.db2.gz OACLOKNKIJDSND-UHFFFAOYSA-N 1 0 336.388 1.874 20 10 EDCDRO C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@]1(CO)CCOC1 ZINC000895385493 591739687 /nfs/dbraw/zinc/73/96/87/591739687.db2.gz FDRMSNMUQVHFOH-CYBMUJFWSA-N 1 0 334.185 1.877 20 10 EDCDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@@]3(CCOC3)C2=O)[NH+](C)C)cc1 ZINC000900185556 591932684 /nfs/dbraw/zinc/93/26/84/591932684.db2.gz ORAYLBQEDCWTHX-MAUKXSAKSA-N 1 0 346.431 1.066 20 10 EDCDRO CN(C)c1ccc([C@H](CN2C(=O)[C@H]3COCCN3C2=O)[NH+](C)C)cc1 ZINC000900185877 591933072 /nfs/dbraw/zinc/93/30/72/591933072.db2.gz UCTNLUZWHBIIAO-JKSUJKDBSA-N 1 0 346.431 1.018 20 10 EDCDRO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc(N2CCOCC2)cc1 ZINC000900386665 592003022 /nfs/dbraw/zinc/00/30/22/592003022.db2.gz BWQBKEDRWLTVFW-OAHLLOKOSA-N 1 0 329.444 1.796 20 10 EDCDRO c1c(C[C@@H]2CCC[NH2+]C2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900602851 592066176 /nfs/dbraw/zinc/06/61/76/592066176.db2.gz CPLCXYVEIFAHIU-KRWDZBQOSA-N 1 0 341.459 1.705 20 10 EDCDRO COC[C@@H](C)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908458470 592507708 /nfs/dbraw/zinc/50/77/08/592507708.db2.gz VZKOCEWDDWXFQZ-CJNGLKHVSA-N 1 0 343.493 1.310 20 10 EDCDRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000905379285 592519937 /nfs/dbraw/zinc/51/99/37/592519937.db2.gz CEUQPXXAJPCFPX-IBGZPJMESA-N 1 0 348.487 1.793 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C/C=C\Cl)CC2)cc1 ZINC000905708689 592618770 /nfs/dbraw/zinc/61/87/70/592618770.db2.gz RPXXBOAUMSUIGA-CGGYKVPPSA-N 1 0 339.867 1.520 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C/C=C/Cl)CC2)cc1 ZINC000905708690 592619091 /nfs/dbraw/zinc/61/90/91/592619091.db2.gz RPXXBOAUMSUIGA-MPUHIQPUSA-N 1 0 339.867 1.520 20 10 EDCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)C3(O)CCCC3)CC2)cc1 ZINC000905916102 592680926 /nfs/dbraw/zinc/68/09/26/592680926.db2.gz XWMFCRQRDDBKTL-SFHVURJKSA-N 1 0 334.460 1.873 20 10 EDCDRO O=C(NCc1ccc(O)cc1O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000910950824 592903829 /nfs/dbraw/zinc/90/38/29/592903829.db2.gz JSDJABSXWHXUPW-IBGZPJMESA-N 1 0 342.395 1.351 20 10 EDCDRO O=C(NCc1ccc(O)cc1O)C1CCC([NH+]2CCOCC2)CC1 ZINC000910958166 592904267 /nfs/dbraw/zinc/90/42/67/592904267.db2.gz XQUMNVMNXWICBV-UHFFFAOYSA-N 1 0 334.416 1.605 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000911225294 592969040 /nfs/dbraw/zinc/96/90/40/592969040.db2.gz FOTUXWJWSLMBSE-IUODEOHRSA-N 1 0 332.448 1.126 20 10 EDCDRO C[C@H](N)c1nc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000911665950 592973513 /nfs/dbraw/zinc/97/35/13/592973513.db2.gz GDPHXLMZGABPNG-GXFFZTMASA-N 1 0 333.461 1.659 20 10 EDCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1)C(N)=O ZINC000840109457 593190686 /nfs/dbraw/zinc/19/06/86/593190686.db2.gz OVECOOZPBYXKRL-MLGOLLRUSA-N 1 0 348.443 1.932 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCN(C)CC2)cc1 ZINC000839223653 593273747 /nfs/dbraw/zinc/27/37/47/593273747.db2.gz NLIFPZHSJSFDHE-UHFFFAOYSA-N 1 0 346.475 1.265 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000803178317 593307786 /nfs/dbraw/zinc/30/77/86/593307786.db2.gz RSTHTRICAFEHIC-OAHLLOKOSA-N 1 0 344.459 1.030 20 10 EDCDRO COCCCNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839540525 593337488 /nfs/dbraw/zinc/33/74/88/593337488.db2.gz AUWAJZLEPIHOLL-HNNXBMFYSA-N 1 0 335.448 1.327 20 10 EDCDRO OC[C@]1([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)CCCO1 ZINC000816667051 593538204 /nfs/dbraw/zinc/53/82/04/593538204.db2.gz BBGATKICBQLSKS-PMACEKPBSA-N 1 0 346.471 1.933 20 10 EDCDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817893351 593645951 /nfs/dbraw/zinc/64/59/51/593645951.db2.gz YKAZOKZYJQRWIP-SOLBZPMBSA-N 1 0 333.476 1.941 20 10 EDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CS(C)(=O)=O)C2)cc1 ZINC000818341785 593693864 /nfs/dbraw/zinc/69/38/64/593693864.db2.gz GHOMUAQAUJGVJD-KGLIPLIRSA-N 1 0 326.462 1.544 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC3(C)CC[NH2+]CC3)C2)cc1 ZINC000818656271 593710629 /nfs/dbraw/zinc/71/06/29/593710629.db2.gz WNAGCEYNADBZNZ-HNNXBMFYSA-N 1 0 346.475 1.963 20 10 EDCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818964044 593730845 /nfs/dbraw/zinc/73/08/45/593730845.db2.gz IWIUHZYVABNVKR-CQSZACIVSA-N 1 0 348.365 1.639 20 10 EDCDRO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000819039503 593735131 /nfs/dbraw/zinc/73/51/31/593735131.db2.gz RDLZQHADUXLFRY-HXUWFJFHSA-N 1 0 347.503 1.706 20 10 EDCDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819064281 593736920 /nfs/dbraw/zinc/73/69/20/593736920.db2.gz VXKFKATYPDEFRK-LLVKDONJSA-N 1 0 343.434 1.381 20 10 EDCDRO C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)C[NH+]1CCCC1 ZINC000819164577 593742133 /nfs/dbraw/zinc/74/21/33/593742133.db2.gz KJHDNTVKGKUXFJ-CQSZACIVSA-N 1 0 331.416 1.888 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000819249906 593746711 /nfs/dbraw/zinc/74/67/11/593746711.db2.gz OSFQQGVZOQSPMC-YQVWRLOYSA-N 1 0 347.503 1.956 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000819270928 593747746 /nfs/dbraw/zinc/74/77/46/593747746.db2.gz LYWQNORMFJBJNG-FFGOWVMKSA-N 1 0 345.487 1.566 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000828666479 594475480 /nfs/dbraw/zinc/47/54/80/594475480.db2.gz DWGKGBLQXOOVTH-LLVKDONJSA-N 1 0 333.392 1.222 20 10 EDCDRO COC1CCN(c2ccc(C[N@H+](C)[C@]3(CO)CCOC3)cc2)CC1 ZINC000828762492 594497321 /nfs/dbraw/zinc/49/73/21/594497321.db2.gz YKESXUIUMDLHLC-IBGZPJMESA-N 1 0 334.460 1.885 20 10 EDCDRO O=C1OCCN1[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000826995712 594619544 /nfs/dbraw/zinc/61/95/44/594619544.db2.gz ZOLBHHIUAJCQBA-KRWDZBQOSA-N 1 0 331.416 1.550 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CSCCS2)cc1 ZINC000832265886 594738936 /nfs/dbraw/zinc/73/89/36/594738936.db2.gz AXKFAOSQITVUAI-ZIAGYGMSSA-N 1 0 325.503 1.717 20 10 EDCDRO C[C@H](NC(=O)C1CCCC1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273317 594739705 /nfs/dbraw/zinc/73/97/05/594739705.db2.gz NHUCUKAQDNJUFB-GUYCJALGSA-N 1 0 346.475 1.564 20 10 EDCDRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283949 594740272 /nfs/dbraw/zinc/74/02/72/594740272.db2.gz DMLXDJXTOUCJQJ-CJNGLKHVSA-N 1 0 332.448 1.127 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000832293586 594740732 /nfs/dbraw/zinc/74/07/32/594740732.db2.gz YEGDNYHDACVVIF-MAUKXSAKSA-N 1 0 341.411 1.709 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000840876777 594823259 /nfs/dbraw/zinc/82/32/59/594823259.db2.gz YZGFGWCBEGZYCV-UHFFFAOYSA-N 1 0 332.853 1.868 20 10 EDCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3C)CCN2C1=O ZINC000840923904 594828682 /nfs/dbraw/zinc/82/86/82/594828682.db2.gz WSQCXBLVZULIAR-INIZCTEOSA-N 1 0 330.432 1.529 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841018578 594840203 /nfs/dbraw/zinc/84/02/03/594840203.db2.gz XBNXTXKRLRRULU-UHFFFAOYSA-N 1 0 339.395 1.635 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000841071974 594847634 /nfs/dbraw/zinc/84/76/34/594847634.db2.gz KQDZNFWLDLDBQX-CXAGYDPISA-N 1 0 342.443 1.683 20 10 EDCDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729165 594944657 /nfs/dbraw/zinc/94/46/57/594944657.db2.gz CRFUMRQCUVWHFY-FUHWJXTLSA-N 1 0 346.475 1.840 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000841740456 594945792 /nfs/dbraw/zinc/94/57/92/594945792.db2.gz HVTDIOQPKHNYER-HLLBOEOZSA-N 1 0 346.475 1.963 20 10 EDCDRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841740953 594946090 /nfs/dbraw/zinc/94/60/90/594946090.db2.gz LHKOKTWQNHZTKH-ZBFHGGJFSA-N 1 0 332.448 1.635 20 10 EDCDRO C[C@@H](NC(=O)NC1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000841741249 594946185 /nfs/dbraw/zinc/94/61/85/594946185.db2.gz MLWIPNUQXPVEAZ-CQSZACIVSA-N 1 0 332.448 1.635 20 10 EDCDRO CCC[NH2+]CCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000841960856 594990087 /nfs/dbraw/zinc/99/00/87/594990087.db2.gz HPCABVTZRVSNPJ-UHFFFAOYSA-N 1 0 338.427 1.666 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842152303 595024302 /nfs/dbraw/zinc/02/43/02/595024302.db2.gz GMACDYNWEKSOBX-UHFFFAOYSA-N 1 0 346.475 1.406 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842202228 595036368 /nfs/dbraw/zinc/03/63/68/595036368.db2.gz GBMFXHWDDVCFKI-HZSPNIEDSA-N 1 0 332.448 1.126 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC[NH2+]CC2)cc1 ZINC000842206322 595038618 /nfs/dbraw/zinc/03/86/18/595038618.db2.gz DAEAGLDZNLPCGQ-UHFFFAOYSA-N 1 0 332.448 1.017 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000842208163 595039374 /nfs/dbraw/zinc/03/93/74/595039374.db2.gz SFJWLNAYOOKLIS-HNNXBMFYSA-N 1 0 332.448 1.017 20 10 EDCDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215986 595041687 /nfs/dbraw/zinc/04/16/87/595041687.db2.gz ZKDHFAAAOBTOSV-GOEBONIOSA-N 1 0 344.459 1.099 20 10 EDCDRO CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298474 595065827 /nfs/dbraw/zinc/06/58/27/595065827.db2.gz NGBYDVQKSKNHNA-IAGOWNOFSA-N 1 0 346.475 1.660 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@H](C)[NH3+] ZINC000843489072 595127427 /nfs/dbraw/zinc/12/74/27/595127427.db2.gz CQSWEOLWJATOEJ-JTQLQIEISA-N 1 0 328.796 1.675 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000846173009 595164827 /nfs/dbraw/zinc/16/48/27/595164827.db2.gz PGRMRBMMYLFQQM-RYQLBKOJSA-N 1 0 346.475 1.739 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1O ZINC000846175473 595165368 /nfs/dbraw/zinc/16/53/68/595165368.db2.gz ZYMGBQIXWUEHHC-LLVKDONJSA-N 1 0 333.392 1.222 20 10 EDCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000834590128 595169862 /nfs/dbraw/zinc/16/98/62/595169862.db2.gz RBDWXPVKYHIRRR-IAGOWNOFSA-N 1 0 331.460 1.376 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cncc(F)c2)cc1 ZINC000842785507 595198241 /nfs/dbraw/zinc/19/82/41/595198241.db2.gz SLFUSFLDAXLVDX-HNNXBMFYSA-N 1 0 338.408 1.265 20 10 EDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1O ZINC000834871819 595236510 /nfs/dbraw/zinc/23/65/10/595236510.db2.gz SZFZZEFKJKUAPN-YGRLFVJLSA-N 1 0 333.837 1.554 20 10 EDCDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O ZINC000846474716 595244431 /nfs/dbraw/zinc/24/44/31/595244431.db2.gz ASBNCLGKJPQCHL-GFCCVEGCSA-N 1 0 339.823 1.072 20 10 EDCDRO Cc1c(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C ZINC000844162648 595288009 /nfs/dbraw/zinc/28/80/09/595288009.db2.gz KTNIJPJENWBRFT-KRWDZBQOSA-N 1 0 329.448 1.543 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)COC2CC[NH2+]CC2)cc1 ZINC000846697486 595303316 /nfs/dbraw/zinc/30/33/16/595303316.db2.gz QNWZZMHBAXNXIU-UHFFFAOYSA-N 1 0 335.448 1.358 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000844220446 595305518 /nfs/dbraw/zinc/30/55/18/595305518.db2.gz XAVWWILGOBARIM-CRAIPNDOSA-N 1 0 346.475 1.013 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000844220240 595305726 /nfs/dbraw/zinc/30/57/26/595305726.db2.gz BSDUZUNFXVHUBS-UHFFFAOYSA-N 1 0 346.475 1.028 20 10 EDCDRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000848612894 595417861 /nfs/dbraw/zinc/41/78/61/595417861.db2.gz AQNBLUPFMXLTDY-UHFFFAOYSA-N 1 0 346.475 1.260 20 10 EDCDRO CCc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1O ZINC000848910907 595466434 /nfs/dbraw/zinc/46/64/34/595466434.db2.gz OGAPHPHKLCPSAO-UHFFFAOYSA-N 1 0 345.487 1.941 20 10 EDCDRO C[C@H]1CN(C(=[NH2+])NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000849095846 595480818 /nfs/dbraw/zinc/48/08/18/595480818.db2.gz PRCZNEWBWMHQIQ-AWEZNQCLSA-N 1 0 334.489 1.985 20 10 EDCDRO CN1CCC[NH+]=C1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000849111112 595483801 /nfs/dbraw/zinc/48/38/01/595483801.db2.gz HJCZLZKYMDMPJG-HNNXBMFYSA-N 1 0 329.448 1.169 20 10 EDCDRO C[NH+](C)C1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000854905689 595526928 /nfs/dbraw/zinc/52/69/28/595526928.db2.gz BICNNBKKJSNQSL-UHFFFAOYSA-N 1 0 339.386 1.512 20 10 EDCDRO C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000852760348 595531519 /nfs/dbraw/zinc/53/15/19/595531519.db2.gz ZGCKQTUTEJQHFG-QAPCUYQASA-N 1 0 332.492 1.770 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000852762365 595532504 /nfs/dbraw/zinc/53/25/04/595532504.db2.gz KYLMETLGOSQBNH-CQSZACIVSA-N 1 0 346.397 1.532 20 10 EDCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000852860443 595581737 /nfs/dbraw/zinc/58/17/37/595581737.db2.gz RBXSVEFDKZGRGV-JURCDPSOSA-N 1 0 335.423 1.793 20 10 EDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)CC1 ZINC000858135948 595709660 /nfs/dbraw/zinc/70/96/60/595709660.db2.gz IHLVOVLLGMXRFF-UHFFFAOYSA-N 1 0 349.431 1.745 20 10 EDCDRO COc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1O ZINC000858306965 595759968 /nfs/dbraw/zinc/75/99/68/595759968.db2.gz XFGIGRIKXROMRR-QGZVFWFLSA-N 1 0 343.427 1.786 20 10 EDCDRO COc1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850332893 595811091 /nfs/dbraw/zinc/81/10/91/595811091.db2.gz YJRPMUAPDXYGQZ-CQSZACIVSA-N 1 0 334.416 1.935 20 10 EDCDRO COC(=O)/C=C/c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000858562575 595830044 /nfs/dbraw/zinc/83/00/44/595830044.db2.gz NOBCCLQOPLJAAS-YGBQLFGPSA-N 1 0 331.372 1.777 20 10 EDCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000853736660 595867049 /nfs/dbraw/zinc/86/70/49/595867049.db2.gz JOJOPOJJQSLWAG-OAHLLOKOSA-N 1 0 349.431 1.453 20 10 EDCDRO [NH3+]C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000851665469 595875343 /nfs/dbraw/zinc/87/53/43/595875343.db2.gz VJMGIGNYZMROJV-KRWDZBQOSA-N 1 0 332.448 1.184 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000851676342 595880607 /nfs/dbraw/zinc/88/06/07/595880607.db2.gz ILSUGQPSACAHOK-FVRSWCFKSA-N 1 0 330.432 1.325 20 10 EDCDRO Cn1ncnc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000853802118 595884260 /nfs/dbraw/zinc/88/42/60/595884260.db2.gz RVAALTOWEQAMAW-CYBMUJFWSA-N 1 0 349.822 1.569 20 10 EDCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)CC3(O)CCC3)CC2)cc1 ZINC000859086797 595971814 /nfs/dbraw/zinc/97/18/14/595971814.db2.gz OKEXAQXTCXAVBK-QGZVFWFLSA-N 1 0 334.460 1.873 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000854216933 596005780 /nfs/dbraw/zinc/00/57/80/596005780.db2.gz HLXXEIZFYGLBNT-IPELMVKDSA-N 1 0 331.460 1.631 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccnn3)cc2F)CC1 ZINC000859261460 596021773 /nfs/dbraw/zinc/02/17/73/596021773.db2.gz NXWLZGIWYZGRAO-UHFFFAOYSA-N 1 0 343.406 1.688 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861564044 596030547 /nfs/dbraw/zinc/03/05/47/596030547.db2.gz DWIBPRNUYMMLQV-QGZVFWFLSA-N 1 0 344.459 1.607 20 10 EDCDRO C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861571212 596032217 /nfs/dbraw/zinc/03/22/17/596032217.db2.gz XTFFYLLGWUSGRP-UHFFFAOYSA-N 1 0 326.416 1.269 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CC[NH+](C)C)C2)cc1 ZINC000852188086 596077823 /nfs/dbraw/zinc/07/78/23/596077823.db2.gz WGBHZUGRPUYOHC-LSDHHAIUSA-N 1 0 334.464 1.913 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@H]2CCC2(F)F)cc1 ZINC000866756965 596325148 /nfs/dbraw/zinc/32/51/48/596325148.db2.gz FAZVLEQJDTWKCE-TZMCWYRMSA-N 1 0 347.431 1.717 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000862550639 596344244 /nfs/dbraw/zinc/34/42/44/596344244.db2.gz GGHNNDVOTQYKFX-CQSZACIVSA-N 1 0 343.468 1.653 20 10 EDCDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868509159 596865987 /nfs/dbraw/zinc/86/59/87/596865987.db2.gz BFDJSRUACKSTRD-HUUCEWRRSA-N 1 0 334.464 1.778 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H](O)C3)cc2F)CC1 ZINC000874439609 597079834 /nfs/dbraw/zinc/07/98/34/597079834.db2.gz DSEIXVCTUAYIPA-GASCZTMLSA-N 1 0 335.423 1.355 20 10 EDCDRO COCCC[N@H+](Cc1c(C)cccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876546916 597234748 /nfs/dbraw/zinc/23/47/48/597234748.db2.gz AANJIWAZXNPNNY-AWEZNQCLSA-N 1 0 327.446 1.726 20 10 EDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876584522 597250992 /nfs/dbraw/zinc/25/09/92/597250992.db2.gz XWFHQZZXSPJGHQ-GOSISDBHSA-N 1 0 331.460 1.748 20 10 EDCDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCOCC2)cc1 ZINC000876727030 597308417 /nfs/dbraw/zinc/30/84/17/597308417.db2.gz ULLXQHHSJYWYKJ-CDVVCGDMSA-N 1 0 329.444 1.695 20 10 EDCDRO [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000876729058 597309944 /nfs/dbraw/zinc/30/99/44/597309944.db2.gz CVNWUEYUEVHXBM-QGZVFWFLSA-N 1 0 329.444 1.559 20 10 EDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000876732452 597311445 /nfs/dbraw/zinc/31/14/45/597311445.db2.gz WNTWJYVOQBUKPW-DZGCQCFKSA-N 1 0 332.448 1.003 20 10 EDCDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876731755 597311542 /nfs/dbraw/zinc/31/15/42/597311542.db2.gz SWEJPKNYERPQCJ-WMLDXEAASA-N 1 0 349.450 1.776 20 10 EDCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000876742844 597317154 /nfs/dbraw/zinc/31/71/54/597317154.db2.gz XIXQEYJWZIIELX-FNHZYXHNSA-N 1 0 347.459 1.467 20 10 EDCDRO COC[C@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC[NH2+]1 ZINC000876959870 597397595 /nfs/dbraw/zinc/39/75/95/597397595.db2.gz QGYWFNMJZQJUML-KXBFYZLASA-N 1 0 347.459 1.549 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)c(OC)c1 ZINC000877227238 597467771 /nfs/dbraw/zinc/46/77/71/597467771.db2.gz GKOFGPHMPFXVEG-DNVCBOLYSA-N 1 0 345.443 1.352 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)c(OC)c1 ZINC000877227880 597467810 /nfs/dbraw/zinc/46/78/10/597467810.db2.gz PGZBFVVJZDIZPD-SFHVURJKSA-N 1 0 333.432 1.495 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CC[NH2+]C3CC3)CC2)c(OC)c1 ZINC000877227441 597467907 /nfs/dbraw/zinc/46/79/07/597467907.db2.gz IKILNEXHZJSSSD-UHFFFAOYSA-N 1 0 333.432 1.495 20 10 EDCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877591934 597539627 /nfs/dbraw/zinc/53/96/27/597539627.db2.gz BLFNHUDNKMLDAH-IAGOWNOFSA-N 1 0 347.503 1.535 20 10 EDCDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000879648875 597673916 /nfs/dbraw/zinc/67/39/16/597673916.db2.gz FMLRGOQNAXTKON-ZIAGYGMSSA-N 1 0 334.416 1.845 20 10 EDCDRO C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000883446432 597750210 /nfs/dbraw/zinc/75/02/10/597750210.db2.gz DMMQEHKBJUHSRK-RVKKMQEKSA-N 1 0 332.492 1.817 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnc(Cl)cn3)cc2)CC1 ZINC000881850946 597753873 /nfs/dbraw/zinc/75/38/73/597753873.db2.gz LMADAUFLNBIMIV-UHFFFAOYSA-N 1 0 345.834 1.812 20 10 EDCDRO COc1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881850693 597754010 /nfs/dbraw/zinc/75/40/10/597754010.db2.gz CJCKIAKOCDPWGI-UHFFFAOYSA-N 1 0 340.427 1.772 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC3(O)CCCC3)cc2)CC1 ZINC000881851562 597754633 /nfs/dbraw/zinc/75/46/33/597754633.db2.gz WXQZCPFWBHKMOW-UHFFFAOYSA-N 1 0 331.460 1.750 20 10 EDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000883782542 597899127 /nfs/dbraw/zinc/89/91/27/597899127.db2.gz GTKYGPRQCVHXQN-QGZVFWFLSA-N 1 0 346.475 1.541 20 10 EDCDRO O=C1NC(=S)NC(=O)C1=CNNc1ccc(C(F)(F)F)c[nH+]1 ZINC000029009646 597924144 /nfs/dbraw/zinc/92/41/44/597924144.db2.gz SEMCTKXREYSHFN-UHFFFAOYSA-N 1 0 331.279 1.272 20 10 EDCDRO CC[C@H]([NH3+])c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083943 598069752 /nfs/dbraw/zinc/06/97/52/598069752.db2.gz OAGVFWJHQYIMGO-HNNXBMFYSA-N 1 0 330.436 1.413 20 10 EDCDRO C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+]1CCO ZINC000994495353 696935323 /nfs/dbraw/zinc/93/53/23/696935323.db2.gz NZMGGPOWAJFCIF-FZMZJTMJSA-N 1 0 333.392 1.424 20 10 EDCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCO1 ZINC000918906554 697222613 /nfs/dbraw/zinc/22/26/13/697222613.db2.gz PGRKCYJKDCAPCF-CRAIPNDOSA-N 1 0 331.460 1.870 20 10 EDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC[NH+]2CCCCC2)c1 ZINC000920636857 697457132 /nfs/dbraw/zinc/45/71/32/697457132.db2.gz OHNFLXGMAMARQZ-UHFFFAOYSA-N 1 0 342.417 1.406 20 10 EDCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3COC(=O)N3)C2)cc1C ZINC000998707650 706138808 /nfs/dbraw/zinc/13/88/08/706138808.db2.gz GHCHPJLIQSKLQR-NRXISQOPSA-N 1 0 347.415 1.191 20 10 EDCDRO C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810063 708111918 /nfs/dbraw/zinc/11/19/18/708111918.db2.gz QAQZVYJGDRXIAL-BPNCWPANSA-N 1 0 331.376 1.129 20 10 EDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000089634282 237005091 /nfs/dbraw/zinc/00/50/91/237005091.db2.gz ONJZDYUIYBWQJU-CABCVRRESA-N 1 0 340.489 1.997 20 10 EDCDRO C[NH+]1CCC(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000266899906 249350293 /nfs/dbraw/zinc/35/02/93/249350293.db2.gz PFRYKDRSDVFLBO-UHFFFAOYSA-N 1 0 345.487 1.853 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419703674 447360097 /nfs/dbraw/zinc/36/00/97/447360097.db2.gz DQUSBKCVCFPPQZ-CQSZACIVSA-N 1 0 342.443 1.219 20 10 EDCDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4O)C[C@@H]3C2)no1 ZINC000378500336 447435516 /nfs/dbraw/zinc/43/55/16/447435516.db2.gz UEJBXXBXCOSUDY-GASCZTMLSA-N 1 0 328.416 1.901 20 10 EDCDRO C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)N1CCOCC1 ZINC000104774460 441207056 /nfs/dbraw/zinc/20/70/56/441207056.db2.gz OOIYSFJMPJVWFY-HUUCEWRRSA-N 1 0 334.464 1.661 20 10 EDCDRO CCOCc1cc(C[NH2+]CCCNS(C)(=O)=O)ccc1OC ZINC000051187434 441403271 /nfs/dbraw/zinc/40/32/71/441403271.db2.gz BCVSIHQOAOQUSB-UHFFFAOYSA-N 1 0 330.450 1.261 20 10 EDCDRO Oc1ccccc1C[N@H+](C[C@H](O)Cn1cccn1)C[C@H]1CCCO1 ZINC000171922966 442391231 /nfs/dbraw/zinc/39/12/31/442391231.db2.gz VGWVBEDTTOYNKY-DLBZAZTESA-N 1 0 331.416 1.631 20 10 EDCDRO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179488170 442464919 /nfs/dbraw/zinc/46/49/19/442464919.db2.gz QNYJYNLJUFWPMF-GOSISDBHSA-N 1 0 329.444 1.766 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC3(CC3)C1)cc2=O ZINC000186959604 442635855 /nfs/dbraw/zinc/63/58/55/442635855.db2.gz IBLAWYPZJUHPAC-UHFFFAOYSA-N 1 0 330.388 1.988 20 10 EDCDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268865821 443131367 /nfs/dbraw/zinc/13/13/67/443131367.db2.gz GDOBHWFVVCZGFW-SCLBCKFNSA-N 1 0 348.422 1.780 20 10 EDCDRO CCC[C@H]([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000272467204 443328619 /nfs/dbraw/zinc/32/86/19/443328619.db2.gz PPJVAIOEJBLJLW-KRWDZBQOSA-N 1 0 334.464 1.061 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nnc[nH]3)cc2F)CC1 ZINC000269558347 443347914 /nfs/dbraw/zinc/34/79/14/443347914.db2.gz QDBQNGCFWCMAEC-UHFFFAOYSA-N 1 0 332.383 1.016 20 10 EDCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000271066189 443489802 /nfs/dbraw/zinc/48/98/02/443489802.db2.gz CIYURZOFGCERGM-ZDUSSCGKSA-N 1 0 325.405 1.894 20 10 EDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000271731861 443511160 /nfs/dbraw/zinc/51/11/60/443511160.db2.gz SJGDPQFBXMWNNL-LBPRGKRZSA-N 1 0 344.452 1.310 20 10 EDCDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000273082873 443534512 /nfs/dbraw/zinc/53/45/12/443534512.db2.gz MRBSYIZFFCMBJD-MRXNPFEDSA-N 1 0 331.460 1.871 20 10 EDCDRO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000274689803 443609992 /nfs/dbraw/zinc/60/99/92/443609992.db2.gz ZXYWDOQXNMFYAN-SFHVURJKSA-N 1 0 336.432 1.269 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292255331 443786855 /nfs/dbraw/zinc/78/68/55/443786855.db2.gz YBIQNBOVTSBIDM-FQEVSTJZSA-N 1 0 344.503 1.739 20 10 EDCDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CCC(=O)N1C ZINC000284905094 443792943 /nfs/dbraw/zinc/79/29/43/443792943.db2.gz SDZBYTYFRFKBJS-CXAGYDPISA-N 1 0 332.379 1.717 20 10 EDCDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000284637195 443782114 /nfs/dbraw/zinc/78/21/14/443782114.db2.gz UBVBWDZQTCQLSG-RYUDHWBXSA-N 1 0 326.349 1.545 20 10 EDCDRO CS(=O)(=O)[C@@H]1CCCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000277689719 444028047 /nfs/dbraw/zinc/02/80/47/444028047.db2.gz UXMADECAGWGVRB-GFCCVEGCSA-N 1 0 327.402 1.520 20 10 EDCDRO COc1cccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1O ZINC000285643697 444058303 /nfs/dbraw/zinc/05/83/03/444058303.db2.gz ZLQQPRGPFCRDGS-ZDUSSCGKSA-N 1 0 334.338 1.754 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000294152595 444104340 /nfs/dbraw/zinc/10/43/40/444104340.db2.gz RHNNATBCRRCDQM-SJLPKXTDSA-N 1 0 331.460 1.857 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1F ZINC000289649350 444186556 /nfs/dbraw/zinc/18/65/56/444186556.db2.gz MRMYCPRHLVWLHR-SCLBCKFNSA-N 1 0 348.422 1.844 20 10 EDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C[NH3+])OC ZINC000290073606 444238547 /nfs/dbraw/zinc/23/85/47/444238547.db2.gz VOZMJCMCALFHJU-LBPRGKRZSA-N 1 0 331.210 1.477 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCCC[NH2+]1 ZINC000325431480 444365852 /nfs/dbraw/zinc/36/58/52/444365852.db2.gz RKGCXKMSNUZULO-INIZCTEOSA-N 1 0 335.423 1.811 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000297975118 444373956 /nfs/dbraw/zinc/37/39/56/444373956.db2.gz HWMNKBNDGWXURZ-INIZCTEOSA-N 1 0 347.459 1.683 20 10 EDCDRO Cn1nnnc1N1CCC([NH2+]Cc2c(O)ccc3ccccc32)CC1 ZINC000363491549 445828341 /nfs/dbraw/zinc/82/83/41/445828341.db2.gz XLZUMVOCBJVEDR-UHFFFAOYSA-N 1 0 338.415 1.828 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364556951 445931903 /nfs/dbraw/zinc/93/19/03/445931903.db2.gz AZRXCQXSQCSMMY-KDOFPFPSSA-N 1 0 333.407 1.278 20 10 EDCDRO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000362009887 446148369 /nfs/dbraw/zinc/14/83/69/446148369.db2.gz LPJLEDTUQFDCEE-HUUCEWRRSA-N 1 0 334.416 1.542 20 10 EDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000367699902 446576724 /nfs/dbraw/zinc/57/67/24/446576724.db2.gz ATGCMNSXUUQIKS-CYBMUJFWSA-N 1 0 340.445 1.447 20 10 EDCDRO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000375408075 446780251 /nfs/dbraw/zinc/78/02/51/446780251.db2.gz AJKBQGLKRRUCGD-DEYYWGMASA-N 1 0 335.400 1.873 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCN([C@H]3CCCCNC3=O)CC2)c1 ZINC000368723021 447066678 /nfs/dbraw/zinc/06/66/78/447066678.db2.gz AMOSUTUYMOIFGM-PBHICJAKSA-N 1 0 347.459 1.748 20 10 EDCDRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000368787935 447107735 /nfs/dbraw/zinc/10/77/35/447107735.db2.gz GLYWDRYUJIWHJB-CYBMUJFWSA-N 1 0 331.372 1.477 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(O)c1 ZINC000527956545 448398890 /nfs/dbraw/zinc/39/88/90/448398890.db2.gz PYNDAXCJJSGAOS-DNVCBOLYSA-N 1 0 334.460 1.967 20 10 EDCDRO COC(=O)CCNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298724790 523090848 /nfs/dbraw/zinc/09/08/48/523090848.db2.gz PMAHZGYHWLERIF-UHFFFAOYSA-N 1 0 335.448 1.642 20 10 EDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174374693 528147926 /nfs/dbraw/zinc/14/79/26/528147926.db2.gz GZPOHCHTOBESHJ-HNNXBMFYSA-N 1 0 334.376 1.770 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CCOC3)CC2)cc1 ZINC000761059736 580045821 /nfs/dbraw/zinc/04/58/21/580045821.db2.gz QQISHDPWDDEQBB-UHFFFAOYSA-N 1 0 331.460 1.871 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H](C)[C@H]3C)CC2)cc1 ZINC000754052181 579894934 /nfs/dbraw/zinc/89/49/34/579894934.db2.gz XMBYASDSPZRZIY-SCTDSRPQSA-N 1 0 347.503 1.908 20 10 EDCDRO O=C(C[NH2+]C1(C2CC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000754356911 579901778 /nfs/dbraw/zinc/90/17/78/579901778.db2.gz APNPRFLFOUJODV-UHFFFAOYSA-N 1 0 347.434 1.811 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@H]3C)CC2)cc1 ZINC000755167657 579921821 /nfs/dbraw/zinc/92/18/21/579921821.db2.gz DUOZUFVNFUVINT-KXBFYZLASA-N 1 0 347.459 1.501 20 10 EDCDRO CCNC(=O)NC(=O)[C@H](C)[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756334811 579948328 /nfs/dbraw/zinc/94/83/28/579948328.db2.gz CMFQAXGSUHNKHO-ZFWWWQNUSA-N 1 0 349.431 1.607 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]CCOCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756734799 579956230 /nfs/dbraw/zinc/95/62/30/579956230.db2.gz ZTRLVKSLABZELB-PWSUYJOCSA-N 1 0 331.409 1.730 20 10 EDCDRO CCCN(CC[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000763237243 580096039 /nfs/dbraw/zinc/09/60/39/580096039.db2.gz NGVRGLJFMJATIX-UHFFFAOYSA-N 1 0 343.449 1.178 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCOC1 ZINC000765245436 580138343 /nfs/dbraw/zinc/13/83/43/580138343.db2.gz PJBPVMGPYQGRHB-USXIJHARSA-N 1 0 331.460 1.903 20 10 EDCDRO C[C@@H](O)CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000765533942 580145148 /nfs/dbraw/zinc/14/51/48/580145148.db2.gz AMTUSBGHZSKISX-OAHLLOKOSA-N 1 0 346.475 1.399 20 10 EDCDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1)C1CC1 ZINC000768439021 580212730 /nfs/dbraw/zinc/21/27/30/580212730.db2.gz FGBKDXVRPWHZOX-INIZCTEOSA-N 1 0 332.400 1.309 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCCO3)CC1)[C@@H](O)CO2 ZINC000768463014 580213869 /nfs/dbraw/zinc/21/38/69/580213869.db2.gz DZNKDKIRJJBEID-QAPCUYQASA-N 1 0 349.427 1.978 20 10 EDCDRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775834928 580402162 /nfs/dbraw/zinc/40/21/62/580402162.db2.gz WBNYEIIKCPZREQ-CVEARBPZSA-N 1 0 332.492 1.956 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC[C@H]2OCCOC)c1 ZINC000776812808 580429446 /nfs/dbraw/zinc/42/94/46/580429446.db2.gz NFJMRHLIWJMOAR-DOTOQJQBSA-N 1 0 325.405 1.701 20 10 EDCDRO COC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000781417302 580548984 /nfs/dbraw/zinc/54/89/84/580548984.db2.gz XVGONVPUHZLLMZ-NSHDSACASA-N 1 0 334.210 1.914 20 10 EDCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1O ZINC000783535328 580601060 /nfs/dbraw/zinc/60/10/60/580601060.db2.gz LVQURFXMJJBAGF-HIFRSBDPSA-N 1 0 328.416 1.968 20 10 EDCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c(O)c1 ZINC000788828638 580730676 /nfs/dbraw/zinc/73/06/76/580730676.db2.gz VIYUVDLHYZRBIF-ZDUSSCGKSA-N 1 0 327.446 1.599 20 10 EDCDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000792978450 580832787 /nfs/dbraw/zinc/83/27/87/580832787.db2.gz UNEJFHSSVCSVGD-WMLDXEAASA-N 1 0 338.473 1.436 20 10 EDCDRO Nc1ccc(CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000892038675 590765677 /nfs/dbraw/zinc/76/56/77/590765677.db2.gz GZVJSJDQONDBIL-MRXNPFEDSA-N 1 0 332.448 1.269 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C2)cc1 ZINC000892194522 590858528 /nfs/dbraw/zinc/85/85/28/590858528.db2.gz XXKAWKMGXRFKOJ-AWEZNQCLSA-N 1 0 334.464 1.948 20 10 EDCDRO COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000891247130 591016265 /nfs/dbraw/zinc/01/62/65/591016265.db2.gz FKNVPDRVJHAXIF-AWEZNQCLSA-N 1 0 332.404 1.782 20 10 EDCDRO COC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOCC1 ZINC000891247095 591016294 /nfs/dbraw/zinc/01/62/94/591016294.db2.gz HIIFTLSUGPYHKD-KRWDZBQOSA-N 1 0 349.475 1.667 20 10 EDCDRO Cc1c(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C ZINC000891247067 591016592 /nfs/dbraw/zinc/01/65/92/591016592.db2.gz HCBWTEMVGBUPGH-GOSISDBHSA-N 1 0 343.475 1.756 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCC(=O)N2)[NH+](C)C)cc1 ZINC000891249210 591018532 /nfs/dbraw/zinc/01/85/32/591018532.db2.gz PHMJSQQWKSKHKX-WBVHZDCISA-N 1 0 346.475 1.530 20 10 EDCDRO CC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)OC ZINC000891250044 591018829 /nfs/dbraw/zinc/01/88/29/591018829.db2.gz YLUSLQNFJPOFPS-CVEARBPZSA-N 1 0 335.448 1.671 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC000892857200 591205438 /nfs/dbraw/zinc/20/54/38/591205438.db2.gz TXPOLIVJTCIZCH-RDJZCZTQSA-N 1 0 334.464 1.834 20 10 EDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896457139 591472922 /nfs/dbraw/zinc/47/29/22/591472922.db2.gz ABVOTEDLUIZFNJ-QZTJIDSGSA-N 1 0 347.507 1.749 20 10 EDCDRO CN(C)c1ccc([C@H](CNc2cncc(OCCO)n2)[NH+](C)C)cc1 ZINC000897523205 591523753 /nfs/dbraw/zinc/52/37/53/591523753.db2.gz RNHKPUGPXPJWBQ-INIZCTEOSA-N 1 0 345.447 1.629 20 10 EDCDRO COC(=O)/C=C\c1ccc(N2CC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895008895 591525897 /nfs/dbraw/zinc/52/58/97/591525897.db2.gz HPBYRKUASMDNLN-WVRJYTFGSA-N 1 0 349.387 1.284 20 10 EDCDRO CNC(=O)C[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895224134 591664766 /nfs/dbraw/zinc/66/47/66/591664766.db2.gz DIIVDUUETRXUHB-CZUORRHYSA-N 1 0 349.479 1.179 20 10 EDCDRO COc1cc(Cl)cc(CN2CCN(C)CC[N@H+](C)CC2)c1O ZINC000897856832 591680005 /nfs/dbraw/zinc/68/00/05/591680005.db2.gz RJJMTYKNMXKIDU-UHFFFAOYSA-N 1 0 327.856 1.733 20 10 EDCDRO CC[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102200 591682447 /nfs/dbraw/zinc/68/24/47/591682447.db2.gz OAUOXBSCGBWANY-AEFFLSMTSA-N 1 0 336.480 1.816 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NC2(CO)CCC2)[NH+](C)C)cc1 ZINC000899103632 591683474 /nfs/dbraw/zinc/68/34/74/591683474.db2.gz NQVDCYIYTCGHPZ-INIZCTEOSA-N 1 0 334.464 1.570 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](O)C2(C)C)[NH+](C)C)cc1 ZINC000899104201 591684157 /nfs/dbraw/zinc/68/41/57/591684157.db2.gz QTCVIWBGOOQHSZ-GVDBMIGSSA-N 1 0 348.491 1.814 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2O)[NH+](C)C)cc1 ZINC000899098413 591688508 /nfs/dbraw/zinc/68/85/08/591688508.db2.gz NNFAELNLROCAKB-KZNAEPCWSA-N 1 0 348.491 1.910 20 10 EDCDRO COc1cc(Br)cc(C[NH2+][C@@]2(C)CCNC2=O)c1O ZINC000897872354 591701710 /nfs/dbraw/zinc/70/17/10/591701710.db2.gz SKBVKFZHNUHGIQ-ZDUSSCGKSA-N 1 0 329.194 1.532 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1O ZINC000895328933 591715575 /nfs/dbraw/zinc/71/55/75/591715575.db2.gz HVVBBSGIEQTTCE-TZMCWYRMSA-N 1 0 330.222 1.781 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccn(C)n3)CC2)cc1 ZINC000840716858 591783395 /nfs/dbraw/zinc/78/33/95/591783395.db2.gz NKNBLWBFNWQUJK-INIZCTEOSA-N 1 0 343.475 1.902 20 10 EDCDRO O=C1NCCC2(CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)O1 ZINC000902509516 592004337 /nfs/dbraw/zinc/00/43/37/592004337.db2.gz JMORGEJYUOPTSN-AWEZNQCLSA-N 1 0 334.372 1.283 20 10 EDCDRO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc2c(cc1O)CCCC2 ZINC000903283096 592148433 /nfs/dbraw/zinc/14/84/33/592148433.db2.gz WRBGKWLFINWOPK-KUHUBIRLSA-N 1 0 334.460 1.615 20 10 EDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1O ZINC000903400152 592167249 /nfs/dbraw/zinc/16/72/49/592167249.db2.gz RTSZRXXFNRVYQB-RYUDHWBXSA-N 1 0 330.388 1.826 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903905497 592372874 /nfs/dbraw/zinc/37/28/74/592372874.db2.gz HOLUMITWAKBVQB-OAHLLOKOSA-N 1 0 342.447 1.668 20 10 EDCDRO CC1CCN(c2ccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905103559 592406644 /nfs/dbraw/zinc/40/66/44/592406644.db2.gz YFBQDTIYJFZDKH-UXHICEINSA-N 1 0 348.487 1.915 20 10 EDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)N2CCCC2)[NH+](C)C)cc1 ZINC000908457269 592507369 /nfs/dbraw/zinc/50/73/69/592507369.db2.gz ATOQRYISJRWUIR-MRXNPFEDSA-N 1 0 340.493 1.286 20 10 EDCDRO C[C@@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)COC(=O)N1 ZINC000905708038 592617962 /nfs/dbraw/zinc/61/79/62/592617962.db2.gz MPJWLMNYXUDCSE-SJCJKPOMSA-N 1 0 334.372 1.831 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911492493 592930055 /nfs/dbraw/zinc/93/00/55/592930055.db2.gz DYCUISHVHGKJML-ZBFHGGJFSA-N 1 0 347.459 1.765 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000817919188 593648649 /nfs/dbraw/zinc/64/86/49/593648649.db2.gz QPNRWWNZDJMHPC-UHFFFAOYSA-N 1 0 334.464 1.154 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000817920222 593648691 /nfs/dbraw/zinc/64/86/91/593648691.db2.gz FHFHEBPVNBDYOT-INIZCTEOSA-N 1 0 344.459 1.195 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000817949652 593651249 /nfs/dbraw/zinc/65/12/49/593651249.db2.gz LKZYOVGRUAWVGE-GOEBONIOSA-N 1 0 345.443 1.341 20 10 EDCDRO COC[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC[NH2+]C1 ZINC000818270021 593689175 /nfs/dbraw/zinc/68/91/75/593689175.db2.gz WNISJYMDUKIUOX-DNVCBOLYSA-N 1 0 347.459 1.264 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000818655254 593710434 /nfs/dbraw/zinc/71/04/34/593710434.db2.gz JRPRAQCQLYUNPW-LSDHHAIUSA-N 1 0 332.448 1.512 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)cc1 ZINC000818656035 593710611 /nfs/dbraw/zinc/71/06/11/593710611.db2.gz VMDMBPLIAABPIW-VBQJREDUSA-N 1 0 332.448 1.653 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)C2)cc1 ZINC000818658723 593710754 /nfs/dbraw/zinc/71/07/54/593710754.db2.gz ZOTWYYZUTNHTTF-DAYGRLMNSA-N 1 0 346.475 1.900 20 10 EDCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968249 593731195 /nfs/dbraw/zinc/73/11/95/593731195.db2.gz OZOLADUBZNEXNI-GOEBONIOSA-N 1 0 337.489 1.202 20 10 EDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000818972045 593731377 /nfs/dbraw/zinc/73/13/77/593731377.db2.gz CAVMVQBWWYCBBU-SFHVURJKSA-N 1 0 331.391 1.881 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3CC3(C)C)CC2)cc1 ZINC000819367634 593752152 /nfs/dbraw/zinc/75/21/52/593752152.db2.gz AZTVSAOKFKTWSN-WMZOPIPTSA-N 1 0 333.476 1.566 20 10 EDCDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000820425641 593817987 /nfs/dbraw/zinc/81/79/87/593817987.db2.gz ZRWMOQVEQWAFGH-HNNXBMFYSA-N 1 0 349.450 1.745 20 10 EDCDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000821337048 594021486 /nfs/dbraw/zinc/02/14/86/594021486.db2.gz RXSCYJVLCLAEES-KRWDZBQOSA-N 1 0 332.492 1.737 20 10 EDCDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000823185046 594166157 /nfs/dbraw/zinc/16/61/57/594166157.db2.gz MUZOZNYBYZSBSY-GOSISDBHSA-N 1 0 332.492 1.641 20 10 EDCDRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)[C@H]1CCOC1 ZINC000825752647 594238475 /nfs/dbraw/zinc/23/84/75/594238475.db2.gz GJWUMQGUSNKOAB-NWDGAFQWSA-N 1 0 330.222 1.889 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](O)C3CCC3)cc2F)CC1 ZINC000825756361 594239260 /nfs/dbraw/zinc/23/92/60/594239260.db2.gz QCRKBKWNYYXWCG-SFHVURJKSA-N 1 0 349.450 1.745 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000829764481 594258192 /nfs/dbraw/zinc/25/81/92/594258192.db2.gz MKYQEATZVNLMON-CQSZACIVSA-N 1 0 327.432 1.791 20 10 EDCDRO COc1ccc(O)c([C@H](C)NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000828666529 594475319 /nfs/dbraw/zinc/47/53/19/594475319.db2.gz FSWJDKCAHVPOLA-QWRGUYRKSA-N 1 0 330.388 1.692 20 10 EDCDRO COC1CCN(c2ccc(C[N@@H+]3CCN4CCOC[C@H]4C3)cc2)CC1 ZINC000828860792 594519666 /nfs/dbraw/zinc/51/96/66/594519666.db2.gz HJQZWQAJYWZFCH-LJQANCHMSA-N 1 0 345.487 1.818 20 10 EDCDRO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000826707418 594561279 /nfs/dbraw/zinc/56/12/79/594561279.db2.gz UFHOPKZMQLSBSV-KRWDZBQOSA-N 1 0 346.475 1.312 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CC[C@@H](O)C(F)(F)C3)cc2)CC1 ZINC000826957863 594610638 /nfs/dbraw/zinc/61/06/38/594610638.db2.gz JLCRCZBGHNISRK-MRXNPFEDSA-N 1 0 325.403 1.640 20 10 EDCDRO Cc1cc(O)c(CN(CC[NH+](C)C)CC(=O)N(C)C)c(Cl)c1 ZINC000827158031 594649048 /nfs/dbraw/zinc/64/90/48/594649048.db2.gz MEEPVUYHGYMOPG-UHFFFAOYSA-N 1 0 327.856 1.806 20 10 EDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CC[NH2+]CC3)cc2)C1 ZINC000827469033 594675041 /nfs/dbraw/zinc/67/50/41/594675041.db2.gz JXKNPRUYZAQGOB-INIZCTEOSA-N 1 0 344.459 1.004 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1)cc2=O ZINC000831533162 594681390 /nfs/dbraw/zinc/68/13/90/594681390.db2.gz CURVPVGBUPOSSQ-SMDDNHRTSA-N 1 0 348.403 1.468 20 10 EDCDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000831670752 594691447 /nfs/dbraw/zinc/69/14/47/594691447.db2.gz QLESWMRZNMSACS-SJORKVTESA-N 1 0 347.459 1.690 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000832266744 594739032 /nfs/dbraw/zinc/73/90/32/594739032.db2.gz IGGNGPFGGTZTLR-BBRMVZONSA-N 1 0 327.432 1.397 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCOC2CCOCC2)cc1 ZINC000832267578 594739041 /nfs/dbraw/zinc/73/90/41/594739041.db2.gz WHUBQKGRSLOXIO-QGZVFWFLSA-N 1 0 335.448 1.454 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCOCC(F)(F)F)cc1 ZINC000832278455 594739809 /nfs/dbraw/zinc/73/98/09/594739809.db2.gz CIPOJXCETDPOLR-CYBMUJFWSA-N 1 0 333.354 1.838 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(N(C)C)ccn2)cc1 ZINC000832281658 594740050 /nfs/dbraw/zinc/74/00/50/594740050.db2.gz VJHXXIOTQAFUCO-INIZCTEOSA-N 1 0 327.432 1.643 20 10 EDCDRO COc1ccc(OCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832293181 594740819 /nfs/dbraw/zinc/74/08/19/594740819.db2.gz QYOWAKAQRNNVNI-SFHVURJKSA-N 1 0 343.427 1.956 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000832300037 594741114 /nfs/dbraw/zinc/74/11/14/594741114.db2.gz LKXYQURSEGNYDD-GDBMZVCRSA-N 1 0 346.475 1.516 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000840910616 594826874 /nfs/dbraw/zinc/82/68/74/594826874.db2.gz TZJYRACKOWCVNW-INIZCTEOSA-N 1 0 344.503 1.846 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000840919267 594827938 /nfs/dbraw/zinc/82/79/38/594827938.db2.gz AGLSJBKFSIUWQC-UHFFFAOYSA-N 1 0 339.505 1.917 20 10 EDCDRO COCC(COC)[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000840955409 594832828 /nfs/dbraw/zinc/83/28/28/594832828.db2.gz USQGTYXIYMRDJL-UHFFFAOYSA-N 1 0 339.455 1.671 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000840976425 594834409 /nfs/dbraw/zinc/83/44/09/594834409.db2.gz FKKGOCMMSWHFLK-UHFFFAOYSA-N 1 0 330.436 1.321 20 10 EDCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841006919 594838168 /nfs/dbraw/zinc/83/81/68/594838168.db2.gz IUUNIRZKOYOBLG-ZIAGYGMSSA-N 1 0 332.448 1.692 20 10 EDCDRO [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841706784 594940871 /nfs/dbraw/zinc/94/08/71/594940871.db2.gz KGEGJHALBAAEKK-OAHLLOKOSA-N 1 0 334.489 1.730 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000841718754 594942609 /nfs/dbraw/zinc/94/26/09/594942609.db2.gz AVUWENIZJHMLIY-KRWDZBQOSA-N 1 0 333.480 1.317 20 10 EDCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000841719051 594942982 /nfs/dbraw/zinc/94/29/82/594942982.db2.gz ZIAQWQKTGBHRCE-UHFFFAOYSA-N 1 0 338.427 1.196 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000841929066 594983704 /nfs/dbraw/zinc/98/37/04/594983704.db2.gz RIPINUQFKVFRLV-UHFFFAOYSA-N 1 0 332.448 1.669 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000841936191 594985553 /nfs/dbraw/zinc/98/55/53/594985553.db2.gz FZBROUJGFLWTEL-MRXNPFEDSA-N 1 0 332.448 1.417 20 10 EDCDRO COC[C@]1(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000841993202 594997318 /nfs/dbraw/zinc/99/73/18/594997318.db2.gz ICVUGYNFMWCIQG-SJKOYZFVSA-N 1 0 337.420 1.530 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842011812 595002405 /nfs/dbraw/zinc/00/24/05/595002405.db2.gz WWDKJQHZFNZEAP-DLBZAZTESA-N 1 0 346.475 1.792 20 10 EDCDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000842091495 595015999 /nfs/dbraw/zinc/01/59/99/595015999.db2.gz DKWKAFUDBWDMQH-MNOVXSKESA-N 1 0 342.490 1.128 20 10 EDCDRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000842138694 595022438 /nfs/dbraw/zinc/02/24/38/595022438.db2.gz LYLBKAXEZWCTNW-HNNXBMFYSA-N 1 0 346.475 1.164 20 10 EDCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842203686 595037683 /nfs/dbraw/zinc/03/76/83/595037683.db2.gz WETWELRQAZNSGR-RHSMWYFYSA-N 1 0 348.491 1.762 20 10 EDCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842212823 595041072 /nfs/dbraw/zinc/04/10/72/595041072.db2.gz CJIFPXNHYXYCQL-UHFFFAOYSA-N 1 0 346.475 1.265 20 10 EDCDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215990 595042084 /nfs/dbraw/zinc/04/20/84/595042084.db2.gz ZKDHFAAAOBTOSV-HOCLYGCPSA-N 1 0 344.459 1.099 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000842233849 595047318 /nfs/dbraw/zinc/04/73/18/595047318.db2.gz YRBMTACVUORURP-CQSZACIVSA-N 1 0 333.432 1.247 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000843265324 595058246 /nfs/dbraw/zinc/05/82/46/595058246.db2.gz SPGHQRIQRWXDSL-CABCVRRESA-N 1 0 348.491 1.732 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000842266912 595060139 /nfs/dbraw/zinc/06/01/39/595060139.db2.gz VEQBCIKUODTTDI-INIZCTEOSA-N 1 0 346.475 1.359 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000843299532 595066820 /nfs/dbraw/zinc/06/68/20/595066820.db2.gz XJVZYFJGJPVCJZ-GDBMZVCRSA-N 1 0 327.432 1.712 20 10 EDCDRO O[C@]1(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCOC1 ZINC000846108936 595146087 /nfs/dbraw/zinc/14/60/87/595146087.db2.gz GTXDAHFBBMKFLO-SFHVURJKSA-N 1 0 338.423 1.684 20 10 EDCDRO C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785667 595198442 /nfs/dbraw/zinc/19/84/42/595198442.db2.gz PJTLKUDJMIHXLA-IUODEOHRSA-N 1 0 326.466 1.071 20 10 EDCDRO CC[NH+]1CCN(CCC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846474709 595244880 /nfs/dbraw/zinc/24/48/80/595244880.db2.gz ALZMNCXRFZONSK-UHFFFAOYSA-N 1 0 325.840 1.689 20 10 EDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835053561 595253716 /nfs/dbraw/zinc/25/37/16/595253716.db2.gz DHYSEDGFEGUPRQ-IDTUSYRASA-N 1 0 325.478 1.683 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000844166567 595288848 /nfs/dbraw/zinc/28/88/48/595288848.db2.gz DWJSJPUWEZNCBE-SFHVURJKSA-N 1 0 348.491 1.591 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844167166 595289234 /nfs/dbraw/zinc/28/92/34/595289234.db2.gz STPMTHQECGYIMK-SFHVURJKSA-N 1 0 347.459 1.250 20 10 EDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000844173700 595291542 /nfs/dbraw/zinc/29/15/42/595291542.db2.gz RDEYIBUVKGCGEJ-BEFAXECRSA-N 1 0 345.487 1.900 20 10 EDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843121256 595291828 /nfs/dbraw/zinc/29/18/28/595291828.db2.gz ADTDSRXFPFSEAT-GJZGRUSLSA-N 1 0 325.403 1.794 20 10 EDCDRO C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000844175034 595292345 /nfs/dbraw/zinc/29/23/45/595292345.db2.gz CKSQOJFPQAOFAB-MAUKXSAKSA-N 1 0 347.459 1.469 20 10 EDCDRO COC[C@@]1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CC[NH2+]C1 ZINC000846696747 595303408 /nfs/dbraw/zinc/30/34/08/595303408.db2.gz HHXTYRSHPMQSMY-GOSISDBHSA-N 1 0 335.448 1.216 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000844218125 595305159 /nfs/dbraw/zinc/30/51/59/595305159.db2.gz SGFCAZSFCSNLBL-KRWDZBQOSA-N 1 0 346.475 1.157 20 10 EDCDRO C[NH2+][C@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844219913 595305738 /nfs/dbraw/zinc/30/57/38/595305738.db2.gz OQYOJDIXJKXCRL-INIZCTEOSA-N 1 0 346.475 1.028 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848430256 595378211 /nfs/dbraw/zinc/37/82/11/595378211.db2.gz ABZSJNULVMZSHV-PKOBYXMFSA-N 1 0 331.460 1.980 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847501096 595435671 /nfs/dbraw/zinc/43/56/71/595435671.db2.gz UBLKUJUBUOXSEC-UHFFFAOYSA-N 1 0 329.448 1.749 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000848910940 595466368 /nfs/dbraw/zinc/46/63/68/595466368.db2.gz OOBMEKPXAOAKJF-OAHLLOKOSA-N 1 0 326.462 1.858 20 10 EDCDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000848918791 595467586 /nfs/dbraw/zinc/46/75/86/595467586.db2.gz MFAUXJSRZNHQEJ-INIZCTEOSA-N 1 0 332.400 1.858 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000852762364 595532383 /nfs/dbraw/zinc/53/23/83/595532383.db2.gz KYLMETLGOSQBNH-AWEZNQCLSA-N 1 0 346.397 1.532 20 10 EDCDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000852860167 595582104 /nfs/dbraw/zinc/58/21/04/595582104.db2.gz LYVSXIMHTYOAFU-KRWDZBQOSA-N 1 0 349.450 1.791 20 10 EDCDRO Nc1ccc(CC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000852902561 595606783 /nfs/dbraw/zinc/60/67/83/595606783.db2.gz ICKKIICMNJBYDC-LJQANCHMSA-N 1 0 339.439 1.694 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000115662053 595630254 /nfs/dbraw/zinc/63/02/54/595630254.db2.gz XJRWEQQTOAPJIR-UHFFFAOYSA-N 1 0 348.491 1.973 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1C ZINC000858243894 595741258 /nfs/dbraw/zinc/74/12/58/595741258.db2.gz QBFOZHFROYYFFR-HNNXBMFYSA-N 1 0 338.415 1.815 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000858244789 595742273 /nfs/dbraw/zinc/74/22/73/595742273.db2.gz HSYRAPFFZDXKQB-HNNXBMFYSA-N 1 0 337.431 1.559 20 10 EDCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000850360401 595817790 /nfs/dbraw/zinc/81/77/90/595817790.db2.gz DUEWSXHHANQULA-AEFFLSMTSA-N 1 0 347.436 1.961 20 10 EDCDRO CC[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000858572256 595832456 /nfs/dbraw/zinc/83/24/56/595832456.db2.gz RGBXYQSVCMYZBY-CQSZACIVSA-N 1 0 327.450 1.232 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3CC[NH+](C)CC3)C2)cc1 ZINC000853684561 595855055 /nfs/dbraw/zinc/85/50/55/595855055.db2.gz VYRYUCRCKRWOTQ-INIZCTEOSA-N 1 0 346.475 1.915 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000851661520 595873082 /nfs/dbraw/zinc/87/30/82/595873082.db2.gz LUSDCVHZAIAXQB-MRXNPFEDSA-N 1 0 346.475 1.447 20 10 EDCDRO C[NH+]1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000856211563 595926723 /nfs/dbraw/zinc/92/67/23/595926723.db2.gz UZIZVFYSZJECAT-UHFFFAOYSA-N 1 0 331.460 1.606 20 10 EDCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254115 595935831 /nfs/dbraw/zinc/93/58/31/595935831.db2.gz RPYBEVRPSIGSIK-NSRYLSIASA-N 1 0 332.400 1.169 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)C2)cc1 ZINC000854296837 596024769 /nfs/dbraw/zinc/02/47/69/596024769.db2.gz HBGDZVFKMZQCFP-AWEZNQCLSA-N 1 0 334.464 1.913 20 10 EDCDRO C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000861564661 596031186 /nfs/dbraw/zinc/03/11/86/596031186.db2.gz MHPZSSLKPXMWQN-HOCLYGCPSA-N 1 0 332.448 1.463 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000861651706 596057589 /nfs/dbraw/zinc/05/75/89/596057589.db2.gz AQPKAKLVVPZTMV-ZWKOTPCHSA-N 1 0 346.475 1.587 20 10 EDCDRO C[N@H+](CC(=O)NCc1ccc2cccnc2c1O)[C@H]1CCSC1 ZINC000862026993 596186111 /nfs/dbraw/zinc/18/61/11/596186111.db2.gz GKVPSTFQXYCXBQ-AWEZNQCLSA-N 1 0 331.441 1.994 20 10 EDCDRO C[C@@H]1C[C@H]([NH2+]C[C@]23COC(=O)N2CCOC3)c2c1c(F)ccc2O ZINC000866520977 596239677 /nfs/dbraw/zinc/23/96/77/596239677.db2.gz JDZBXRQHAIEYRS-MOCULFSLSA-N 1 0 336.363 1.890 20 10 EDCDRO CN(C)c1cc(F)c(CN2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000862238141 596284021 /nfs/dbraw/zinc/28/40/21/596284021.db2.gz NIGHXFOPPUFBDG-UHFFFAOYSA-N 1 0 327.419 1.919 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717089 596308061 /nfs/dbraw/zinc/30/80/61/596308061.db2.gz VNEGXBZWKSUDEN-IEBWSBKVSA-N 1 0 344.503 1.785 20 10 EDCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000862475704 596334570 /nfs/dbraw/zinc/33/45/70/596334570.db2.gz UQOWFSOXWRHYQU-AWEZNQCLSA-N 1 0 344.205 1.919 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H](O)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873061083 597176353 /nfs/dbraw/zinc/17/63/53/597176353.db2.gz PWLYNBZPHFOLDR-KRWDZBQOSA-N 1 0 341.415 1.497 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H]2COCCN2C)cc1Cn1cccn1 ZINC000873143371 597210262 /nfs/dbraw/zinc/21/02/62/597210262.db2.gz JSXJNAPFXPIKBF-QGZVFWFLSA-N 1 0 330.432 1.360 20 10 EDCDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876729657 597310010 /nfs/dbraw/zinc/31/00/10/597310010.db2.gz TUMKSXJFPVYZTP-QZTJIDSGSA-N 1 0 345.487 1.885 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@]3(C)C[NH2+]CCO3)CC2)cc1 ZINC000876732860 597312139 /nfs/dbraw/zinc/31/21/39/597312139.db2.gz HWRHIASLLUOAFF-SFHVURJKSA-N 1 0 333.432 1.112 20 10 EDCDRO COC[C@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CCCC[NH2+]1 ZINC000876740435 597315740 /nfs/dbraw/zinc/31/57/40/597315740.db2.gz NEOBCNSPIHEGKQ-IBGZPJMESA-N 1 0 331.460 1.844 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876790078 597341465 /nfs/dbraw/zinc/34/14/65/597341465.db2.gz RVODZSAMWOZKLG-CQSZACIVSA-N 1 0 339.386 1.409 20 10 EDCDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c(O)c1 ZINC000876970305 597402147 /nfs/dbraw/zinc/40/21/47/597402147.db2.gz OJDOAOZVVNNSKP-AWEZNQCLSA-N 1 0 331.368 1.959 20 10 EDCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1F ZINC000876989326 597405781 /nfs/dbraw/zinc/40/57/81/597405781.db2.gz SKFVBZTXOUQORG-UHFFFAOYSA-N 1 0 337.420 1.829 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+]CCOC[C@@H]3CCCO3)cc2)CC1 ZINC000877045491 597420770 /nfs/dbraw/zinc/42/07/70/597420770.db2.gz XFOCZAPEMDWMFD-IBGZPJMESA-N 1 0 334.460 1.933 20 10 EDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877119525 597437254 /nfs/dbraw/zinc/43/72/54/597437254.db2.gz HCZWNHCOVDMCTO-MSOLQXFVSA-N 1 0 331.460 1.652 20 10 EDCDRO COc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881849697 597753145 /nfs/dbraw/zinc/75/31/45/597753145.db2.gz UAJFEURVEKQAQR-UHFFFAOYSA-N 1 0 340.427 1.772 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)COc3cccnc3)cc2)CC1 ZINC000881852221 597754625 /nfs/dbraw/zinc/75/46/25/597754625.db2.gz ZHTVALCVWKYVMX-UHFFFAOYSA-N 1 0 340.427 1.529 20 10 EDCDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1O ZINC000155194423 697403361 /nfs/dbraw/zinc/40/33/61/697403361.db2.gz KNPXFKKUIUYMBA-INIZCTEOSA-N 1 0 341.411 1.848 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc1C ZINC000939747300 699912954 /nfs/dbraw/zinc/91/29/54/699912954.db2.gz KICKZKBDJPEORJ-PBHICJAKSA-N 1 0 342.443 1.987 20 10 EDCDRO C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000997390718 703657882 /nfs/dbraw/zinc/65/78/82/703657882.db2.gz HBQONWAMJJQCDR-NSHDSACASA-N 1 0 333.392 1.424 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]CC1(O)CCC3(CC1)OCCO3)OCO2 ZINC000922622489 704149366 /nfs/dbraw/zinc/14/93/66/704149366.db2.gz BRIMCQTVMAUKFT-UHFFFAOYSA-N 1 0 337.372 1.259 20 10 EDCDRO Cc1ccc(O)c(C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)c1 ZINC000922769191 704320325 /nfs/dbraw/zinc/32/03/25/704320325.db2.gz SHJNKIDWDMJEML-UHFFFAOYSA-N 1 0 341.411 1.223 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3n[nH]nc3C)C2)cc1C ZINC000999857839 707443717 /nfs/dbraw/zinc/44/37/17/707443717.db2.gz PKAZNZZSIXKXJR-OAHLLOKOSA-N 1 0 343.431 1.825 20 10 EDCDRO NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921690485 707720288 /nfs/dbraw/zinc/72/02/88/707720288.db2.gz NIQOTORJPYPOEQ-QGZVFWFLSA-N 1 0 331.460 1.689 20 10 EDCDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000090796984 237006624 /nfs/dbraw/zinc/00/66/24/237006624.db2.gz UYCPSUJSPGEJPK-KBPBESRZSA-N 1 0 325.478 1.685 20 10 EDCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093320867 237018819 /nfs/dbraw/zinc/01/88/19/237018819.db2.gz OTTQNRYJIXMPJN-UHFFFAOYSA-N 1 0 339.505 1.999 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1[C@H](C)CCC[C@H]1CO)cc2=O ZINC000270177369 249388934 /nfs/dbraw/zinc/38/89/34/249388934.db2.gz BCQNWQZDORMAPE-YPMHNXCESA-N 1 0 348.403 1.347 20 10 EDCDRO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000271233414 249435013 /nfs/dbraw/zinc/43/50/13/249435013.db2.gz BVCKXLWQLNDKRI-MRXNPFEDSA-N 1 0 331.460 1.911 20 10 EDCDRO CCC[C@](C)([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000272493369 249466205 /nfs/dbraw/zinc/46/62/05/249466205.db2.gz UJAFJXKIXDJMBD-IBGZPJMESA-N 1 0 348.491 1.451 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000285521363 249632826 /nfs/dbraw/zinc/63/28/26/249632826.db2.gz ADKOGVSGKPBRFM-CQSZACIVSA-N 1 0 335.448 1.587 20 10 EDCDRO CN(C)c1ccc(C2=CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)cc1 ZINC000374788393 250272887 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O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]([NH+]4CCCC4)C3)cc2N1 ZINC000301623503 444182345 /nfs/dbraw/zinc/18/23/45/444182345.db2.gz ORXFBNBTHDXGNM-NSHDSACASA-N 1 0 332.360 1.600 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000362797845 445554525 /nfs/dbraw/zinc/55/45/25/445554525.db2.gz QKSDZQHYTYQTRA-SFHVURJKSA-N 1 0 347.415 1.696 20 10 EDCDRO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cc(OC)ccc2O)C1 ZINC000364624479 445938401 /nfs/dbraw/zinc/93/84/01/445938401.db2.gz SPJOBOCFJPLHKB-DGCLKSJQSA-N 1 0 328.434 1.475 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000369889213 446165235 /nfs/dbraw/zinc/16/52/35/446165235.db2.gz QUEIWMYEZMPEMG-UHFFFAOYSA-N 1 0 344.415 1.253 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H](CO)C1)cc2=O ZINC000374053915 446349353 /nfs/dbraw/zinc/34/93/53/446349353.db2.gz ZNQKKCRLZNXSPW-GFCCVEGCSA-N 1 0 348.403 1.206 20 10 EDCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)[C@@H](C)C1 ZINC000376990480 446844942 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CNC(=O)C1([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000749321955 579721642 /nfs/dbraw/zinc/72/16/42/579721642.db2.gz SKWNSFNSHBSIIZ-UHFFFAOYSA-N 1 0 346.475 1.359 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC)[C@@H]1CCCO1)cc2=O ZINC000754515352 579905064 /nfs/dbraw/zinc/90/50/64/579905064.db2.gz MGNTZVLXXXHXIQ-KBPBESRZSA-N 1 0 348.403 1.659 20 10 EDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754726856 579910195 /nfs/dbraw/zinc/91/01/95/579910195.db2.gz XCGQHSKDUYIZMQ-CYBMUJFWSA-N 1 0 328.434 1.223 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3ccco3)CC2)cc1 ZINC000758178664 579976241 /nfs/dbraw/zinc/97/62/41/579976241.db2.gz NNIHFCLAEQRDTC-KRWDZBQOSA-N 1 0 345.443 1.561 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)CC(C)(C)OC)CC2)cc1 ZINC000758815156 579992309 /nfs/dbraw/zinc/99/23/09/579992309.db2.gz QBIWJYDCQRJDEE-UHFFFAOYSA-N 1 0 349.475 1.701 20 10 EDCDRO C[N@H+](CCN1CCCS1(=O)=O)Cc1cc2c(cc1O)CCCC2 ZINC000768465286 580214139 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COc1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(O)cc1C ZINC000795670369 580933503 /nfs/dbraw/zinc/93/35/03/580933503.db2.gz ITEBKIKZPQSHDY-UHFFFAOYSA-N 1 0 342.461 1.470 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCCn2cncn2)[NH+](C)C)cc1 ZINC000891245793 591015267 /nfs/dbraw/zinc/01/52/67/591015267.db2.gz JIYNQKPVUOFLNK-KRWDZBQOSA-N 1 0 344.463 1.543 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2cnn(C)c2)[NH+](C)C)cc1 ZINC000891251169 591019257 /nfs/dbraw/zinc/01/92/57/591019257.db2.gz AHSABDXCDPGNSE-GOSISDBHSA-N 1 0 343.475 1.838 20 10 EDCDRO O=C(NCc1cccc(Cl)c1O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000892817213 591191816 /nfs/dbraw/zinc/19/18/16/591191816.db2.gz BOFZKZULGUGMED-STQMWFEESA-N 1 0 339.823 1.708 20 10 EDCDRO CCN(C)C(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894290884 591267932 /nfs/dbraw/zinc/26/79/32/591267932.db2.gz WHWJYVUUJXQYCC-INIZCTEOSA-N 1 0 349.479 1.133 20 10 EDCDRO COC(=O)c1c(C[NH2+]CCN2CCNC2=O)c2cc(F)ccc2n1C ZINC000895812479 591278639 /nfs/dbraw/zinc/27/86/39/591278639.db2.gz RAEDFNWLXGAVOS-UHFFFAOYSA-N 1 0 348.378 1.219 20 10 EDCDRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H]1CCCOC1 ZINC000895854950 591288186 /nfs/dbraw/zinc/28/81/86/591288186.db2.gz OGIWWSYJWKDWIY-GXTWGEPZSA-N 1 0 325.405 1.941 20 10 EDCDRO CO[C@@]1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCS(=O)(=O)C1 ZINC000896684693 591574236 /nfs/dbraw/zinc/57/42/36/591574236.db2.gz XROGMFUQQXMPFW-CQSZACIVSA-N 1 0 333.837 1.647 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CCO)C2CC2)[NH+](C)C)cc1 ZINC000899103328 591683376 /nfs/dbraw/zinc/68/33/76/591683376.db2.gz ZDIUXIMSALLKMK-ZWKOTPCHSA-N 1 0 348.491 1.816 20 10 EDCDRO C[C@@H](O)CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103865 591683381 /nfs/dbraw/zinc/68/33/81/591683381.db2.gz OHUAVHDWACFRDL-PBHICJAKSA-N 1 0 336.480 1.768 20 10 EDCDRO C[C@H](O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899104621 591684404 /nfs/dbraw/zinc/68/44/04/591684404.db2.gz RQJKWHWKRAUEKB-WMLDXEAASA-N 1 0 336.480 1.816 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1O ZINC000897039666 591718385 /nfs/dbraw/zinc/71/83/85/591718385.db2.gz BJYJPYAUWPMBBP-AWEZNQCLSA-N 1 0 334.416 1.254 20 10 EDCDRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)nc[nH]1 ZINC000898150437 591803773 /nfs/dbraw/zinc/80/37/73/591803773.db2.gz WXTBRVIAVUAMIR-HNNXBMFYSA-N 1 0 326.400 1.876 20 10 EDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC000895575591 591805547 /nfs/dbraw/zinc/80/55/47/591805547.db2.gz IJCRRBFSEZHRQN-HDICACEKSA-N 1 0 343.471 1.558 20 10 EDCDRO CCOc1cccc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1O ZINC000898159332 591807843 /nfs/dbraw/zinc/80/78/43/591807843.db2.gz VERFJDGRMDXKEW-ZDUSSCGKSA-N 1 0 330.388 1.655 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c1O ZINC000898329059 591855498 /nfs/dbraw/zinc/85/54/98/591855498.db2.gz PMFKQTOFNREKFZ-UHFFFAOYSA-N 1 0 339.779 1.496 20 10 EDCDRO CN(C)c1ccc([C@@H](CN2C(=O)N3CC4CC3(C4)C2=O)[NH+](C)C)cc1 ZINC000900185400 591932411 /nfs/dbraw/zinc/93/24/11/591932411.db2.gz MKGGNIHACACFHG-ZHTDJMBKSA-N 1 0 342.443 1.782 20 10 EDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2c[nH]cn2)[NH+](C)C)cc1 ZINC000908458439 592507812 /nfs/dbraw/zinc/50/78/12/592507812.db2.gz VFBNWOSHOHKDPG-CQSZACIVSA-N 1 0 337.449 1.057 20 10 EDCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000905481571 592538302 /nfs/dbraw/zinc/53/83/02/592538302.db2.gz OFDOMKTZXDFNRK-CQSZACIVSA-N 1 0 345.365 1.401 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000911632356 592969981 /nfs/dbraw/zinc/96/99/81/592969981.db2.gz FBVRLKWFTKSYEY-AEFFLSMTSA-N 1 0 331.460 1.999 20 10 EDCDRO Cc1nc2n(n1)C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000911667391 592974121 /nfs/dbraw/zinc/97/41/21/592974121.db2.gz QKDGJLMWXJBXFQ-GOEBONIOSA-N 1 0 342.447 1.031 20 10 EDCDRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807139222 593147482 /nfs/dbraw/zinc/14/74/82/593147482.db2.gz AALNIKIOIYHNNQ-OWCLPIDISA-N 1 0 348.491 1.910 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000807675531 593189936 /nfs/dbraw/zinc/18/99/36/593189936.db2.gz AVJCRXOXVAOYOV-OAHLLOKOSA-N 1 0 346.475 1.484 20 10 EDCDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000810044915 593376984 /nfs/dbraw/zinc/37/69/84/593376984.db2.gz VARTVSMNXKYNFS-UHFFFAOYSA-N 1 0 339.505 1.830 20 10 EDCDRO COC(=O)c1cn(CC[NH2+]Cc2ccc3ccccc3c2O)nn1 ZINC000816604160 593534502 /nfs/dbraw/zinc/53/45/02/593534502.db2.gz ZKFMSNZVNMZWMF-UHFFFAOYSA-N 1 0 326.356 1.713 20 10 EDCDRO CCOC(=O)[C@@H](F)C1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000816635183 593536466 /nfs/dbraw/zinc/53/64/66/593536466.db2.gz GGIINWFBRBXKLP-SFHVURJKSA-N 1 0 349.450 1.771 20 10 EDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815070060 593613109 /nfs/dbraw/zinc/61/31/09/593613109.db2.gz OPYJKIYBEXPDRB-OAHLLOKOSA-N 1 0 325.478 1.575 20 10 EDCDRO COC[C@]1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC[NH2+]C1 ZINC000818270020 593689176 /nfs/dbraw/zinc/68/91/76/593689176.db2.gz WNISJYMDUKIUOX-BEFAXECRSA-N 1 0 347.459 1.264 20 10 EDCDRO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818658675 593710821 /nfs/dbraw/zinc/71/08/21/593710821.db2.gz XYRIKAOVZBSKAD-NVXWUHKLSA-N 1 0 346.475 1.915 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@H](O)CSC)CC2)cc1 ZINC000818982234 593732250 /nfs/dbraw/zinc/73/22/50/593732250.db2.gz ITFKMLRIYPIAAW-INIZCTEOSA-N 1 0 339.505 1.131 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000819165520 593742194 /nfs/dbraw/zinc/74/21/94/593742194.db2.gz WOOFOWWCXXECBX-CYBMUJFWSA-N 1 0 329.400 1.641 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000819309165 593750016 /nfs/dbraw/zinc/75/00/16/593750016.db2.gz LWBYPAYAMXNYKF-IEBWSBKVSA-N 1 0 347.503 1.956 20 10 EDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)[N@H+]1CCO ZINC000824925959 594098352 /nfs/dbraw/zinc/09/83/52/594098352.db2.gz JAYVKHWKJNNUFE-CALCHBBNSA-N 1 0 333.476 1.410 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000825155932 594137969 /nfs/dbraw/zinc/13/79/69/594137969.db2.gz LZUYRSWNJBBDOT-FXAWDEMLSA-N 1 0 345.487 1.974 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)c3cn(C)c(=O)[nH]3)CC2)cc1 ZINC000825425630 594183349 /nfs/dbraw/zinc/18/33/49/594183349.db2.gz FJHLVLYRRNAOMB-UHFFFAOYSA-N 1 0 330.388 1.533 20 10 EDCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000825531472 594197996 /nfs/dbraw/zinc/19/79/96/594197996.db2.gz WYZQUKYLHZISLP-CQSZACIVSA-N 1 0 344.205 1.967 20 10 EDCDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c(F)ccc(O)c1O ZINC000825849935 594261657 /nfs/dbraw/zinc/26/16/57/594261657.db2.gz KIPDHEIWGSOQBK-GFCCVEGCSA-N 1 0 338.379 1.610 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000825973823 594294784 /nfs/dbraw/zinc/29/47/84/594294784.db2.gz RKMARKVBDVBNLX-KRWDZBQOSA-N 1 0 327.432 1.804 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1F ZINC000827901039 594300477 /nfs/dbraw/zinc/30/04/77/594300477.db2.gz IYGRDRJIHMOZSI-CYBMUJFWSA-N 1 0 346.410 1.338 20 10 EDCDRO CC[C@H](O)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000828259749 594376688 /nfs/dbraw/zinc/37/66/88/594376688.db2.gz SLKAHHSQASCMLV-IBGZPJMESA-N 1 0 345.487 1.996 20 10 EDCDRO O=C(CCOC1C[NH2+]C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003503 594546786 /nfs/dbraw/zinc/54/67/86/594546786.db2.gz OSXLQZOLFYIJTL-OAHLLOKOSA-N 1 0 334.416 1.278 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000831193399 594578760 /nfs/dbraw/zinc/57/87/60/594578760.db2.gz KCZHKOGVNHJIKK-KRWDZBQOSA-N 1 0 346.475 1.915 20 10 EDCDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CC(=O)CS1 ZINC000829272703 594590726 /nfs/dbraw/zinc/59/07/26/594590726.db2.gz ZDLNTHBCEXRRAS-KRWDZBQOSA-N 1 0 332.425 1.821 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000831650542 594689981 /nfs/dbraw/zinc/68/99/81/594689981.db2.gz UTQSJBAWZKCVMC-ICSRJNTNSA-N 1 0 345.487 1.756 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1COCC1(C)C)cc2=O ZINC000832170803 594732041 /nfs/dbraw/zinc/73/20/41/594732041.db2.gz VGASBZNZGYTDEM-GFCCVEGCSA-N 1 0 334.376 1.126 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000832172503 594732257 /nfs/dbraw/zinc/73/22/57/594732257.db2.gz ILEUBEQOBGLZTI-UHFFFAOYSA-N 1 0 332.448 1.099 20 10 EDCDRO COc1ccc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nc1 ZINC000832284820 594740409 /nfs/dbraw/zinc/74/04/09/594740409.db2.gz MUTQACCEYZDLOI-QGZVFWFLSA-N 1 0 328.416 1.515 20 10 EDCDRO COCC(COC)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000840954920 594832078 /nfs/dbraw/zinc/83/20/78/594832078.db2.gz NHEXZURMZNKJBA-UHFFFAOYSA-N 1 0 328.840 1.825 20 10 EDCDRO COC(=O)[C@@H](CC1CC1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840957689 594832812 /nfs/dbraw/zinc/83/28/12/594832812.db2.gz MEUZKWQDCQDJSS-GOSISDBHSA-N 1 0 331.460 1.870 20 10 EDCDRO COC(=O)[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@H+](C)C1 ZINC000840958655 594832919 /nfs/dbraw/zinc/83/29/19/594832919.db2.gz QZJQBFMDZDLWGJ-KEGWNNHHSA-N 1 0 331.460 1.802 20 10 EDCDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841007537 594838131 /nfs/dbraw/zinc/83/81/31/594838131.db2.gz FIJWQAVJOYDMLK-UHFFFAOYSA-N 1 0 332.448 1.836 20 10 EDCDRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)CC1 ZINC000841073900 594847999 /nfs/dbraw/zinc/84/79/99/594847999.db2.gz AEGVUDFOHRTPKW-AWEZNQCLSA-N 1 0 330.432 1.398 20 10 EDCDRO C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000841729560 594944624 /nfs/dbraw/zinc/94/46/24/594944624.db2.gz HELXHSONWMPSFM-RDJZCZTQSA-N 1 0 346.475 1.650 20 10 EDCDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000841947408 594987647 /nfs/dbraw/zinc/98/76/47/594987647.db2.gz OQBBINHUZMXMIB-JKSUJKDBSA-N 1 0 333.432 1.820 20 10 EDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC1C[NH2+]C1 ZINC000841964409 594990908 /nfs/dbraw/zinc/99/09/08/594990908.db2.gz FUVDQMYWYDDWMW-UHFFFAOYSA-N 1 0 342.237 1.906 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000842003657 594999832 /nfs/dbraw/zinc/99/98/32/594999832.db2.gz ODLLYNHBTWCSGO-RNCFNFMXSA-N 1 0 329.347 1.758 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000842037161 595006821 /nfs/dbraw/zinc/00/68/21/595006821.db2.gz WHBHBEYRMCSGHT-UHFFFAOYSA-N 1 0 346.475 1.537 20 10 EDCDRO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC[C@H]1[NH3+] ZINC000842154789 595025152 /nfs/dbraw/zinc/02/51/52/595025152.db2.gz WXXLZRCIAWCCST-RHSMWYFYSA-N 1 0 346.475 1.263 20 10 EDCDRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000842181867 595030123 /nfs/dbraw/zinc/03/01/23/595030123.db2.gz CIRKVGMUGMIJRP-PMPSAXMXSA-N 1 0 348.491 1.910 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000842206130 595038355 /nfs/dbraw/zinc/03/83/55/595038355.db2.gz BEAFDPMRRGWHRC-HNNXBMFYSA-N 1 0 332.448 1.017 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000842208401 595039413 /nfs/dbraw/zinc/03/94/13/595039413.db2.gz TXPAQIWBHTXNNB-HZPDHXFCSA-N 1 0 346.475 1.393 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC2CC[NH2+]CC2)cc1 ZINC000842223953 595043973 /nfs/dbraw/zinc/04/39/73/595043973.db2.gz RZYBBTNMKVZQAJ-UHFFFAOYSA-N 1 0 346.475 1.359 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NCC[NH2+]C2CC2)C2CC2)cc1 ZINC000842231735 595046509 /nfs/dbraw/zinc/04/65/09/595046509.db2.gz CBQGSFAKLVOBCY-UHFFFAOYSA-N 1 0 344.459 1.112 20 10 EDCDRO Cc1nccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000843298944 595066618 /nfs/dbraw/zinc/06/66/18/595066618.db2.gz RNUZIKGBFMVCRK-KRWDZBQOSA-N 1 0 327.432 1.600 20 10 EDCDRO CC[C@H](C)[C@@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)C(=O)OC ZINC000843350393 595082671 /nfs/dbraw/zinc/08/26/71/595082671.db2.gz OEVJQUJPWVTUFN-SCLBCKFNSA-N 1 0 347.459 1.602 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1O ZINC000846147131 595157153 /nfs/dbraw/zinc/15/71/53/595157153.db2.gz TYPYPMUQHYSXBA-CYBMUJFWSA-N 1 0 335.448 1.604 20 10 EDCDRO 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/nfs/dbraw/zinc/77/78/16/443777816.db2.gz LWZUSAQXDNZUOO-MLGOLLRUSA-N 1 0 330.388 1.244 20 10 EDCDRO Cc1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)ccc1N(C)C ZINC000292884337 443868982 /nfs/dbraw/zinc/86/89/82/443868982.db2.gz UMWXUNSFKYUUJZ-HNNXBMFYSA-N 1 0 325.478 1.562 20 10 EDCDRO C[NH+](C)CCn1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1=O ZINC000296649554 444244925 /nfs/dbraw/zinc/24/49/25/444244925.db2.gz XFPHKPBVXWCHGJ-UHFFFAOYSA-N 1 0 335.335 1.213 20 10 EDCDRO Cn1nncc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000363321755 445766238 /nfs/dbraw/zinc/76/62/38/445766238.db2.gz VMYGEWWXHFDDIH-CQSZACIVSA-N 1 0 335.839 1.928 20 10 EDCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2Cn2cncn2)ccc1[N+](=O)[O-] ZINC000364758205 445952128 /nfs/dbraw/zinc/95/21/28/445952128.db2.gz JKWQLNDCPYIMLZ-GFCCVEGCSA-N 1 0 333.348 1.565 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000371402877 446833488 /nfs/dbraw/zinc/83/34/88/446833488.db2.gz DQONTYPFLQGPGL-GOSISDBHSA-N 1 0 331.460 1.966 20 10 EDCDRO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000377558167 447203460 /nfs/dbraw/zinc/20/34/60/447203460.db2.gz FXFWVMDIVDNTFC-CYBMUJFWSA-N 1 0 346.387 1.567 20 10 EDCDRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000422372185 447510542 /nfs/dbraw/zinc/51/05/42/447510542.db2.gz ATDBQMNENIYJFL-AWEZNQCLSA-N 1 0 342.443 1.313 20 10 EDCDRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(F)ccc1O ZINC000527954923 448396567 /nfs/dbraw/zinc/39/65/67/448396567.db2.gz NABOOSJHOHGGOK-UGSOOPFHSA-N 1 0 338.423 1.798 20 10 EDCDRO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298727609 523500168 /nfs/dbraw/zinc/50/01/68/523500168.db2.gz NOUBBBQIACVOIQ-AWEZNQCLSA-N 1 0 335.448 1.452 20 10 EDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C(=O)N1c1cnn(C)c1 ZINC000742391488 579450670 /nfs/dbraw/zinc/45/06/70/579450670.db2.gz JXDDDVLMDUYWNG-BLLLJJGKSA-N 1 0 345.422 1.909 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000742393533 579450758 /nfs/dbraw/zinc/45/07/58/579450758.db2.gz YIULWFJFABYVQA-BLLLJJGKSA-N 1 0 344.415 1.808 20 10 EDCDRO Cn1cc(CN2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cn1 ZINC000729988224 578606139 /nfs/dbraw/zinc/60/61/39/578606139.db2.gz FFPKNGYLVSAVIX-UHFFFAOYSA-N 1 0 337.427 1.992 20 10 EDCDRO COC(=O)CNC(=O)CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732205076 578697415 /nfs/dbraw/zinc/69/74/15/578697415.db2.gz ZXSHUTVEQOPJEM-UHFFFAOYSA-N 1 0 334.416 1.816 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)CC3CC3)CC2)cc1 ZINC000754009156 579893810 /nfs/dbraw/zinc/89/38/10/579893810.db2.gz YQAQFLSPUCVSBV-SFHVURJKSA-N 1 0 333.476 1.520 20 10 EDCDRO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCOC2)ccc1N1CCCCC1 ZINC000757979056 579973927 /nfs/dbraw/zinc/97/39/27/579973927.db2.gz TXWQJUZNRMOESS-KRWDZBQOSA-N 1 0 335.404 1.826 20 10 EDCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)ccc1O ZINC000762786606 580083137 /nfs/dbraw/zinc/08/31/37/580083137.db2.gz JWVKZIYZGRYIQB-QMTHXVAHSA-N 1 0 329.238 1.872 20 10 EDCDRO O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1)N1CCCC1 ZINC000768447383 580213281 /nfs/dbraw/zinc/21/32/81/580213281.db2.gz OQUFLGWLKKJRHV-SUMWQHHRSA-N 1 0 346.427 1.652 20 10 EDCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258991 580387059 /nfs/dbraw/zinc/38/70/59/580387059.db2.gz DIGXRNOSKZGZFG-CQSZACIVSA-N 1 0 341.477 1.113 20 10 EDCDRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775369100 580389403 /nfs/dbraw/zinc/38/94/03/580389403.db2.gz JEJNFJOXTCXOEO-LBPRGKRZSA-N 1 0 337.420 1.036 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)c1 ZINC000775373516 580389499 /nfs/dbraw/zinc/38/94/99/580389499.db2.gz SXJMDCIFYZVYMP-GUTXKFCHSA-N 1 0 325.405 1.608 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000776497094 580418590 /nfs/dbraw/zinc/41/85/90/580418590.db2.gz CJLKVNKMGXROIP-NVXWUHKLSA-N 1 0 339.457 1.830 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)C1 ZINC000783650658 580603541 /nfs/dbraw/zinc/60/35/41/580603541.db2.gz LJPLQIIZDIOODH-DLBZAZTESA-N 1 0 331.460 1.905 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000785428800 580643874 /nfs/dbraw/zinc/64/38/74/580643874.db2.gz RYNRWADVGAMDGM-KRWDZBQOSA-N 1 0 344.459 1.066 20 10 EDCDRO NS(=O)(=O)[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000785980005 580657148 /nfs/dbraw/zinc/65/71/48/580657148.db2.gz VAZVJHJNZWRUQI-SNVBAGLBSA-N 1 0 349.250 1.408 20 10 EDCDRO COC(=O)[C@H](CC(F)F)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789581374 580749902 /nfs/dbraw/zinc/74/99/02/580749902.db2.gz NNMLOUFDSWYVQX-HNNXBMFYSA-N 1 0 341.402 1.725 20 10 EDCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000793279346 580840611 /nfs/dbraw/zinc/84/06/11/580840611.db2.gz FVYLTXRCEDINSS-UHFFFAOYSA-N 1 0 342.436 1.329 20 10 EDCDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000794832632 580906624 /nfs/dbraw/zinc/90/66/24/580906624.db2.gz APMVIMFRMJDZFS-OLZOCXBDSA-N 1 0 328.840 1.835 20 10 EDCDRO O=C(NCCF)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000798098983 580987276 /nfs/dbraw/zinc/98/72/76/580987276.db2.gz HGKBYPFXYMLRIR-UHFFFAOYSA-N 1 0 334.439 1.987 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1F ZINC000800890480 581060970 /nfs/dbraw/zinc/06/09/70/581060970.db2.gz JMPCIJXHASQKQI-UHFFFAOYSA-N 1 0 343.468 1.842 20 10 EDCDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)[C@@H]2C1 ZINC000893135976 590675934 /nfs/dbraw/zinc/67/59/34/590675934.db2.gz RIXRXPREJFJNOA-SJLPKXTDSA-N 1 0 326.444 1.908 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[NH+](C)C)cc1 ZINC000891245773 591014993 /nfs/dbraw/zinc/01/49/93/591014993.db2.gz IZLOWUIFWKEIKN-JFIYKMOQSA-N 1 0 341.459 1.998 20 10 EDCDRO Cc1c(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C ZINC000891247069 591016548 /nfs/dbraw/zinc/01/65/48/591016548.db2.gz HCBWTEMVGBUPGH-SFHVURJKSA-N 1 0 343.475 1.756 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C=O)c[nH]2)[NH+](C)C)cc1 ZINC000891248398 591017121 /nfs/dbraw/zinc/01/71/21/591017121.db2.gz MCPOAAWWLIHCJF-QGZVFWFLSA-N 1 0 328.416 1.926 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn(CCF)c2)[NH+](C)C)cc1 ZINC000891248844 591018908 /nfs/dbraw/zinc/01/89/08/591018908.db2.gz NOMQOPVGTDFTMJ-QGZVFWFLSA-N 1 0 347.438 1.951 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN2C=O)[NH+](C)C)cc1 ZINC000891250255 591019826 /nfs/dbraw/zinc/01/98/26/591019826.db2.gz VVGZJQQUUYRZKK-IAGOWNOFSA-N 1 0 332.448 1.092 20 10 EDCDRO COc1cc(C)cc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1O ZINC000894084995 591184119 /nfs/dbraw/zinc/18/41/19/591184119.db2.gz RWISTGURSHOJEN-MRXNPFEDSA-N 1 0 347.459 1.448 20 10 EDCDRO COC(=O)c1c(C[NH2+][C@H]2CC(=O)N(C)C2)c2cc(F)ccc2n1C ZINC000894210679 591232202 /nfs/dbraw/zinc/23/22/02/591232202.db2.gz FUIFMASQKGVWTQ-NSHDSACASA-N 1 0 333.363 1.424 20 10 EDCDRO CC[S@](=O)CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894260195 591253315 /nfs/dbraw/zinc/25/33/15/591253315.db2.gz LMHDXFKMJVKWAN-QHCPKHFHSA-N 1 0 340.420 1.962 20 10 EDCDRO CC1(C)[C@@H](NCc2c(O)cccc2Br)CS1(=O)=O ZINC000895986600 591318639 /nfs/dbraw/zinc/31/86/39/591318639.db2.gz ZVZOBXCFGHRDHK-NSHDSACASA-N 1 0 334.235 1.820 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cn(C)cn2)[NH+](C)C)cc1 ZINC000898612158 591439108 /nfs/dbraw/zinc/43/91/08/591439108.db2.gz GXHWZXNPOXBMIC-KRWDZBQOSA-N 1 0 344.463 1.588 20 10 EDCDRO COC[C@@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101270 591681949 /nfs/dbraw/zinc/68/19/49/591681949.db2.gz GWXHADNELFYLLE-IRXDYDNUSA-N 1 0 334.464 1.786 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000899101638 591682567 /nfs/dbraw/zinc/68/25/67/591682567.db2.gz KEMRPNZAGAMHED-PKOBYXMFSA-N 1 0 348.491 1.816 20 10 EDCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(CO)CC1 ZINC000899098447 591688456 /nfs/dbraw/zinc/68/84/56/591688456.db2.gz OMXVXJWVNQSANX-RHSMWYFYSA-N 1 0 348.491 1.816 20 10 EDCDRO CC(C)[C@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100594 591690114 /nfs/dbraw/zinc/69/01/14/591690114.db2.gz AWXSDMJTNLYHLE-DLBZAZTESA-N 1 0 336.480 1.671 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895328932 591715682 /nfs/dbraw/zinc/71/56/82/591715682.db2.gz HVVBBSGIEQTTCE-OCCSQVGLSA-N 1 0 330.222 1.781 20 10 EDCDRO COC(=O)c1c(C[NH2+]C[C@@H]2COCCN2C)c2cc(F)ccc2n1C ZINC000895401898 591743800 /nfs/dbraw/zinc/74/38/00/591743800.db2.gz DHKCXWWSCYBLEY-CYBMUJFWSA-N 1 0 349.406 1.524 20 10 EDCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 ZINC000902583353 592019505 /nfs/dbraw/zinc/01/95/05/592019505.db2.gz CEPJPNJYOIIXES-LRDDRELGSA-N 1 0 345.399 1.964 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1OC ZINC000902645013 592036997 /nfs/dbraw/zinc/03/69/97/592036997.db2.gz RXMUMWYTMXVINI-CABCVRRESA-N 1 0 336.432 1.440 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@@H]3OC)CC2)cc1 ZINC000903081292 592116387 /nfs/dbraw/zinc/11/63/87/592116387.db2.gz KXEZGFUSGNFYHM-OALUTQOASA-N 1 0 333.476 1.974 20 10 EDCDRO C[C@@H]([NH2+]CCCc1nnnn1C)c1ccc(Br)cc1O ZINC000903348519 592157001 /nfs/dbraw/zinc/15/70/01/592157001.db2.gz FIYPDOXHYYDGGB-SECBINFHSA-N 1 0 340.225 1.962 20 10 EDCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903715700 592292515 /nfs/dbraw/zinc/29/25/15/592292515.db2.gz LMSHBXLWSRTMEF-GDBMZVCRSA-N 1 0 346.475 1.154 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000903968787 592402959 /nfs/dbraw/zinc/40/29/59/592402959.db2.gz ODHIIVIHXPKJHC-QGZVFWFLSA-N 1 0 339.505 1.399 20 10 EDCDRO C[NH2+]CCN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC000911159550 592942710 /nfs/dbraw/zinc/94/27/10/592942710.db2.gz RIRQREFLFDBCCT-UHFFFAOYSA-N 1 0 344.459 1.135 20 10 EDCDRO COc1ncc(/C=C/C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000911665226 592973544 /nfs/dbraw/zinc/97/35/44/592973544.db2.gz BIDFGUNNZSOTBT-VCIFKONDSA-N 1 0 341.415 1.381 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)ccc21 ZINC000838031475 593079235 /nfs/dbraw/zinc/07/92/35/593079235.db2.gz IURJMPXQVGGSQP-AEFFLSMTSA-N 1 0 328.460 1.915 20 10 EDCDRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000838559710 593187511 /nfs/dbraw/zinc/18/75/11/593187511.db2.gz OXDQYXHBEGDXBX-WBVHZDCISA-N 1 0 348.491 1.960 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](C(F)F)C3)cc2)CC1 ZINC000802653776 593268633 /nfs/dbraw/zinc/26/86/33/593268633.db2.gz SLYOBCWGFFJDBD-INIZCTEOSA-N 1 0 325.403 1.904 20 10 EDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c1O ZINC000808716522 593282565 /nfs/dbraw/zinc/28/25/65/593282565.db2.gz PEVXAHRNEPHFOT-LLVKDONJSA-N 1 0 349.884 1.837 20 10 EDCDRO OC[C@@]1([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)CCCO1 ZINC000816667053 593538391 /nfs/dbraw/zinc/53/83/91/593538391.db2.gz BBGATKICBQLSKS-VQTJNVASSA-N 1 0 346.471 1.933 20 10 EDCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000813854662 593558267 /nfs/dbraw/zinc/55/82/67/593558267.db2.gz CVXADYIKIIOZEN-KRWDZBQOSA-N 1 0 349.450 1.934 20 10 EDCDRO CCC[N@H+](CC(N)=O)Cc1cc(Br)cc(OC)c1O ZINC000814177821 593577737 /nfs/dbraw/zinc/57/77/37/593577737.db2.gz QBDNZBYKJXSVPZ-UHFFFAOYSA-N 1 0 331.210 1.861 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](CO)C[C@H](C)C1)cc2=O ZINC000817278166 593587807 /nfs/dbraw/zinc/58/78/07/593587807.db2.gz TYNMZTFEAPQJGH-NWDGAFQWSA-N 1 0 348.403 1.062 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000817919611 593648754 /nfs/dbraw/zinc/64/87/54/593648754.db2.gz VRMUILZYJHVEEG-LJQANCHMSA-N 1 0 346.475 1.298 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934899 593650335 /nfs/dbraw/zinc/65/03/35/593650335.db2.gz LALDZUKANKGLKY-MLGOLLRUSA-N 1 0 325.403 1.889 20 10 EDCDRO CCn1nc(C)c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000818220948 593684913 /nfs/dbraw/zinc/68/49/13/593684913.db2.gz LARBPCBPKLGEAQ-UHFFFAOYSA-N 1 0 328.464 1.648 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O ZINC000818362247 593694631 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Cc1cc(O)c(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000825379289 594175934 /nfs/dbraw/zinc/17/59/34/594175934.db2.gz MPPOCRUWWWKOJE-NSHDSACASA-N 1 0 332.853 1.725 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000828144836 594350762 /nfs/dbraw/zinc/35/07/62/594350762.db2.gz KLTOJQAYGLQLBH-HNNXBMFYSA-N 1 0 333.432 1.389 20 10 EDCDRO C[NH+](C)C1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000828155737 594352875 /nfs/dbraw/zinc/35/28/75/594352875.db2.gz AIYVZRGUIFATOR-UHFFFAOYSA-N 1 0 331.460 1.606 20 10 EDCDRO Oc1ccc(F)cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826511420 594510960 /nfs/dbraw/zinc/51/09/60/594510960.db2.gz OVGLKSCPLCXXBL-UHFFFAOYSA-N 1 0 329.335 1.880 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000831114500 594559728 /nfs/dbraw/zinc/55/97/28/594559728.db2.gz WEYDVXAJSFJVNX-KBXCAEBGSA-N 1 0 332.448 1.573 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC(C)=NO3)cc2F)CC1 ZINC000826719661 594563520 /nfs/dbraw/zinc/56/35/20/594563520.db2.gz SLGKDISHOOIDKG-KRWDZBQOSA-N 1 0 348.422 1.749 20 10 EDCDRO CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832274512 594739639 /nfs/dbraw/zinc/73/96/39/594739639.db2.gz UPXZBMSGUJKDPB-HZPDHXFCSA-N 1 0 332.448 1.270 20 10 EDCDRO CNc1snc(C)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278874 594739744 /nfs/dbraw/zinc/73/97/44/594739744.db2.gz FLEPFRBIHQDXMG-CYBMUJFWSA-N 1 0 333.461 1.989 20 10 EDCDRO Cc1csc(=O)n1CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292948 594740700 /nfs/dbraw/zinc/74/07/00/594740700.db2.gz NWDCGXRWGWNOLF-OAHLLOKOSA-N 1 0 348.472 1.491 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@H]1OCC)cc2=O ZINC000832573883 594760549 /nfs/dbraw/zinc/76/05/49/594760549.db2.gz AQEFMKOLHODRJP-ZIAGYGMSSA-N 1 0 348.403 1.659 20 10 EDCDRO C[C@@H]1C[C@@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2c1c(F)ccc2O ZINC000840896455 594824511 /nfs/dbraw/zinc/82/45/11/594824511.db2.gz JFJSODLLAYSVHP-ZYHUDNBSSA-N 1 0 347.394 1.840 20 10 EDCDRO C[NH2+]Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000841003653 594837787 /nfs/dbraw/zinc/83/77/87/594837787.db2.gz YYLJWFHQDBCFMH-UHFFFAOYSA-N 1 0 340.427 1.727 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000841013726 594839348 /nfs/dbraw/zinc/83/93/48/594839348.db2.gz URIDITCNQSZGIQ-UHFFFAOYSA-N 1 0 340.427 1.808 20 10 EDCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000841044385 594843559 /nfs/dbraw/zinc/84/35/59/594843559.db2.gz DPSTYNHNYXZPMC-UHFFFAOYSA-N 1 0 328.254 1.458 20 10 EDCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841739973 594945762 /nfs/dbraw/zinc/94/57/62/594945762.db2.gz CUIYTEZNUCYYOI-RLFYNMQTSA-N 1 0 346.475 1.881 20 10 EDCDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000841741635 594946069 /nfs/dbraw/zinc/94/60/69/594946069.db2.gz OSAZSWGQENFKSV-GOEBONIOSA-N 1 0 332.448 1.635 20 10 EDCDRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841740949 594946222 /nfs/dbraw/zinc/94/62/22/594946222.db2.gz LHKOKTWQNHZTKH-GOEBONIOSA-N 1 0 332.448 1.635 20 10 EDCDRO C[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000841742648 594946582 /nfs/dbraw/zinc/94/65/82/594946582.db2.gz YXGUEUILHKVNCL-HNNXBMFYSA-N 1 0 344.459 1.803 20 10 EDCDRO [NH3+]C[C@H]1CN(C(=O)NCCCSc2nccs2)CCCO1 ZINC000841857922 594966419 /nfs/dbraw/zinc/96/64/19/594966419.db2.gz RJMZQOWSAAOHLL-NSHDSACASA-N 1 0 330.479 1.385 20 10 EDCDRO [NH3+]C[C@H](NC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000841948722 594987877 /nfs/dbraw/zinc/98/78/77/594987877.db2.gz WZXQXCIJCGLDJY-NSHDSACASA-N 1 0 328.210 1.691 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000841985983 594995891 /nfs/dbraw/zinc/99/58/91/594995891.db2.gz COOZSMBTNAOBCZ-QAPCUYQASA-N 1 0 346.475 1.915 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C)CCC[NH3+])CC2)cc1F ZINC000842000654 594998910 /nfs/dbraw/zinc/99/89/10/594998910.db2.gz ZAXURWHNVGRCKL-CYBMUJFWSA-N 1 0 338.427 1.793 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000842151818 595024012 /nfs/dbraw/zinc/02/40/12/595024012.db2.gz CXIBCDFZRUIGQT-ZBFHGGJFSA-N 1 0 346.475 1.263 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842202728 595036820 /nfs/dbraw/zinc/03/68/20/595036820.db2.gz KXCYVDNYXRBVGH-IPYPFGDCSA-N 1 0 332.448 1.126 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000842206038 595038016 /nfs/dbraw/zinc/03/80/16/595038016.db2.gz AADWQPDFIQGSIL-IBGZPJMESA-N 1 0 346.475 1.346 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCC[NH2+]C)cc1 ZINC000842206279 595038083 /nfs/dbraw/zinc/03/80/83/595038083.db2.gz CCWWFDRMCHBEGP-UHFFFAOYSA-N 1 0 334.464 1.217 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000842206039 595038269 /nfs/dbraw/zinc/03/82/69/595038269.db2.gz AADWQPDFIQGSIL-LJQANCHMSA-N 1 0 346.475 1.346 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCCCCCC[NH3+])cc1 ZINC000843261718 595056573 /nfs/dbraw/zinc/05/65/73/595056573.db2.gz GDFIYPYBZREFTR-UHFFFAOYSA-N 1 0 334.464 1.346 20 10 EDCDRO C[C@H]1CCn2ncc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)c2C1 ZINC000843296576 595065481 /nfs/dbraw/zinc/06/54/81/595065481.db2.gz BEXHVAQWCUOOJM-GUYCJALGSA-N 1 0 341.459 1.961 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCn2ccccc2=O)cc1 ZINC000843298412 595066053 /nfs/dbraw/zinc/06/60/53/595066053.db2.gz OEJKZKFQMGPGQP-QGZVFWFLSA-N 1 0 342.443 1.511 20 10 EDCDRO C[C@H](c1nc(N)nc(N(C)C)n1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350934 595083761 /nfs/dbraw/zinc/08/37/61/595083761.db2.gz XWNWEKWXGIPVCA-LLVKDONJSA-N 1 0 327.436 1.492 20 10 EDCDRO C[C@@H]1CCCN(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000842783911 595196651 /nfs/dbraw/zinc/19/66/51/595196651.db2.gz FJXYQZQWSHPHMK-CJNGLKHVSA-N 1 0 340.493 1.319 20 10 EDCDRO C[C@@H]1C[C@H](S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000842785494 595197810 /nfs/dbraw/zinc/19/78/10/595197810.db2.gz NXFKSOULLOYZHS-WQVCFCJDSA-N 1 0 341.477 1.239 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cs2)cc1 ZINC000834862457 595233668 /nfs/dbraw/zinc/23/36/68/595233668.db2.gz UDWUBMGRGJPBNE-DOMZBBRYSA-N 1 0 328.441 1.750 20 10 EDCDRO CN(C)c1ccc(CN2CCN(C)C[C@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000843121711 595291879 /nfs/dbraw/zinc/29/18/79/595291879.db2.gz IDKBNPLSCAYQPZ-CQSZACIVSA-N 1 0 330.398 1.846 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)CO[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000844180092 595293971 /nfs/dbraw/zinc/29/39/71/595293971.db2.gz BHPPLTRLPIRSLJ-GOSISDBHSA-N 1 0 347.459 1.549 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000852762812 595532431 /nfs/dbraw/zinc/53/24/31/595532431.db2.gz XGUSBXKJYLJGHR-CYBMUJFWSA-N 1 0 332.370 1.190 20 10 EDCDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000852860667 595582088 /nfs/dbraw/zinc/58/20/88/595582088.db2.gz UIKMWWVFBCJSKW-HZPDHXFCSA-N 1 0 335.473 1.220 20 10 EDCDRO CC[NH+]1CCN(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000855232065 595637618 /nfs/dbraw/zinc/63/76/18/595637618.db2.gz QGWGSDMQWFQJPO-INIZCTEOSA-N 1 0 346.475 1.028 20 10 EDCDRO C[N@H+](C[C@@H](O)CNCc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000853122353 595672071 /nfs/dbraw/zinc/67/20/71/595672071.db2.gz OQBWHAABRUZZIT-IBGZPJMESA-N 1 0 333.476 1.192 20 10 EDCDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000853245157 595718816 /nfs/dbraw/zinc/71/88/16/595718816.db2.gz ULVYQSXLEHCMJL-INIZCTEOSA-N 1 0 349.523 1.824 20 10 EDCDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Br)ccc1O ZINC000858547650 595824981 /nfs/dbraw/zinc/82/49/81/595824981.db2.gz ICEXEZMLTBJDAR-CMPLNLGQSA-N 1 0 329.238 1.872 20 10 EDCDRO CCOC1CC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000850506131 595846195 /nfs/dbraw/zinc/84/61/95/595846195.db2.gz GJCQCSHPRGCXQH-UHFFFAOYSA-N 1 0 338.473 1.579 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000851668798 595877460 /nfs/dbraw/zinc/87/74/60/595877460.db2.gz UQQATFBRUMUGCZ-KKUMJFAQSA-N 1 0 332.448 1.714 20 10 EDCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1[NH3+] ZINC000851679584 595882126 /nfs/dbraw/zinc/88/21/26/595882126.db2.gz DIABQAVQHFZTNY-KBXCAEBGSA-N 1 0 346.475 1.526 20 10 EDCDRO [NH3+]C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000851680443 595882330 /nfs/dbraw/zinc/88/23/30/595882330.db2.gz JILHHDZLVVJMEH-UHFFFAOYSA-N 1 0 332.448 1.280 20 10 EDCDRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851682752 595882862 /nfs/dbraw/zinc/88/28/62/595882862.db2.gz WZWGIQVGYBTHLN-HNNXBMFYSA-N 1 0 332.448 1.151 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)C2)cc1 ZINC000861690786 596069742 /nfs/dbraw/zinc/06/97/42/596069742.db2.gz TTZKMUAFJFECNA-KKUMJFAQSA-N 1 0 332.448 1.714 20 10 EDCDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000854570625 596123235 /nfs/dbraw/zinc/12/32/35/596123235.db2.gz RHGZICHFLQZWAX-KQIUPUNMSA-N 1 0 346.427 1.823 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)cc2=O ZINC000859827997 596203999 /nfs/dbraw/zinc/20/39/99/596203999.db2.gz VMKPJVUPPFZVBN-OZWUEAAUSA-N 1 0 348.403 1.513 20 10 EDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000862482360 596334674 /nfs/dbraw/zinc/33/46/74/596334674.db2.gz SIFUJKKEYYYPJJ-ZDUSSCGKSA-N 1 0 340.387 1.207 20 10 EDCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2COCCN2C)c1O ZINC000862508527 596338890 /nfs/dbraw/zinc/33/88/90/596338890.db2.gz SWZVIKAOQCYHQB-ZDUSSCGKSA-N 1 0 329.238 1.883 20 10 EDCDRO Cc1ccn(C[C@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000870933668 596411120 /nfs/dbraw/zinc/41/11/20/596411120.db2.gz STNRFNUZPZIRKT-GUYCJALGSA-N 1 0 329.448 1.710 20 10 EDCDRO [NH3+]Cc1cc(=O)[nH]c(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000863649215 596644596 /nfs/dbraw/zinc/64/45/96/596644596.db2.gz WTFWHKXJWFCRMQ-UHFFFAOYSA-N 1 0 327.432 1.921 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)CS(N)(=O)=O)cc1 ZINC000865814377 596693774 /nfs/dbraw/zinc/69/37/74/596693774.db2.gz SOEGHYACQDTJAE-AATRIKPKSA-N 1 0 325.478 1.670 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000866441331 596887575 /nfs/dbraw/zinc/88/75/75/596887575.db2.gz ZOGIVOFJEZYMQL-FYLLDIAZSA-N 1 0 338.379 1.735 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1Cn1cccn1 ZINC000873134077 597207244 /nfs/dbraw/zinc/20/72/44/597207244.db2.gz NJBDBKCJZQRGOD-HNNXBMFYSA-N 1 0 342.399 1.177 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@]3(C[NH3+])CCCOC3)CC2)cc1 ZINC000876732736 597311586 /nfs/dbraw/zinc/31/15/86/597311586.db2.gz DZOHRNIOXWJXIZ-LJQANCHMSA-N 1 0 347.459 1.489 20 10 EDCDRO C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000876742851 597317586 /nfs/dbraw/zinc/31/75/86/597317586.db2.gz XLCZRILRGQPNOV-JLJPHGGASA-N 1 0 335.423 1.648 20 10 EDCDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876811056 597349160 /nfs/dbraw/zinc/34/91/60/597349160.db2.gz GNMBEGBNVSWUKW-UHFFFAOYSA-N 1 0 334.416 1.592 20 10 EDCDRO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000126249632 597395186 /nfs/dbraw/zinc/39/51/86/597395186.db2.gz CWXYQEDLTIGGAL-KRWDZBQOSA-N 1 0 346.475 1.217 20 10 EDCDRO CC[C@@](C)(C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)OC ZINC000877031226 597417396 /nfs/dbraw/zinc/41/73/96/597417396.db2.gz RXZCVUJHCPBDJY-KRWDZBQOSA-N 1 0 340.489 1.826 20 10 EDCDRO CCc1nncn1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877066274 597425069 /nfs/dbraw/zinc/42/50/69/597425069.db2.gz IGNVMPVKCBJWLU-UHFFFAOYSA-N 1 0 329.448 1.591 20 10 EDCDRO NC(=O)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877150586 597444074 /nfs/dbraw/zinc/44/40/74/597444074.db2.gz WZPMERGYGUIGKS-UHFFFAOYSA-N 1 0 331.460 1.783 20 10 EDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227500 597467759 /nfs/dbraw/zinc/46/77/59/597467759.db2.gz LDEDXZGVTGZOGH-DYVFJYSZSA-N 1 0 335.448 1.726 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)c(OC)c1 ZINC000877227970 597468412 /nfs/dbraw/zinc/46/84/12/597468412.db2.gz SCXRHZQGJFGVAT-CQSZACIVSA-N 1 0 331.416 1.400 20 10 EDCDRO O=C1NCC2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)O1 ZINC000877461028 597518992 /nfs/dbraw/zinc/51/89/92/597518992.db2.gz WPAZFTAJIWWVMO-UHFFFAOYSA-N 1 0 345.443 1.722 20 10 EDCDRO COCCN(CC[NH+](C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877526141 597530811 /nfs/dbraw/zinc/53/08/11/597530811.db2.gz QEKUOEOXIKGFTN-UHFFFAOYSA-N 1 0 335.492 1.658 20 10 EDCDRO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCOC1 ZINC000877588876 597539387 /nfs/dbraw/zinc/53/93/87/597539387.db2.gz AZYOESOBSQKWPB-LPHOPBHVSA-N 1 0 334.460 1.525 20 10 EDCDRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000877620035 597542066 /nfs/dbraw/zinc/54/20/66/597542066.db2.gz CHPDRHMHBPACRU-LBPRGKRZSA-N 1 0 331.372 1.838 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000877679253 597547195 /nfs/dbraw/zinc/54/71/95/597547195.db2.gz MFMOETYCJHBUAJ-IUCAKERBSA-N 1 0 344.795 1.210 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)OC)=NO3)C2)c(O)c1 ZINC000877715598 597550335 /nfs/dbraw/zinc/55/03/35/597550335.db2.gz YWMPWKNTZSZRFV-QGZVFWFLSA-N 1 0 334.372 1.685 20 10 EDCDRO Cc1n[nH]cc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883138509 597664269 /nfs/dbraw/zinc/66/42/69/597664269.db2.gz GPWNCXRCJVOCMZ-UHFFFAOYSA-N 1 0 342.447 1.469 20 10 EDCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000879647396 597674036 /nfs/dbraw/zinc/67/40/36/597674036.db2.gz BPMBYEPJLITKPY-UPJWGTAASA-N 1 0 340.445 1.077 20 10 EDCDRO COC[C@H](C)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883431925 597744153 /nfs/dbraw/zinc/74/41/53/597744153.db2.gz GPHIAWKFMWCQSM-OAHLLOKOSA-N 1 0 334.464 1.520 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN[C@H]3C[C@@H]([NH3+])C3(C)C)CC2)cc1 ZINC000883442488 597748559 /nfs/dbraw/zinc/74/85/59/597748559.db2.gz MDBBOKVJFRJEQS-SJORKVTESA-N 1 0 346.475 1.059 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(C4CC4)n[nH]3)cc2)CC1 ZINC000881850103 597753809 /nfs/dbraw/zinc/75/38/09/597753809.db2.gz NSCJQJGKLKDITO-UHFFFAOYSA-N 1 0 339.443 1.969 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C(=O)C4CC4)CC3)cc2)CC1 ZINC000881853520 597755777 /nfs/dbraw/zinc/75/57/77/597755777.db2.gz YZHKMJKUEXLHLH-UHFFFAOYSA-N 1 0 341.455 1.814 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880132926 597851057 /nfs/dbraw/zinc/85/10/57/597851057.db2.gz RCXLMWQNCRXBTL-MOPGFXCFSA-N 1 0 344.503 1.880 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCOC3(C)C)cc2)CC1 ZINC000883720290 597875168 /nfs/dbraw/zinc/87/51/68/597875168.db2.gz JVBXFHKGOSAVML-KRWDZBQOSA-N 1 0 346.475 1.805 20 10 EDCDRO C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)O1 ZINC000883737787 597881725 /nfs/dbraw/zinc/88/17/25/597881725.db2.gz JPMWCDOQBJGBOW-MAUKXSAKSA-N 1 0 346.475 1.805 20 10 EDCDRO CC(C)[C@H]([NH3+])c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881093727 598074121 /nfs/dbraw/zinc/07/41/21/598074121.db2.gz GUJIKCVHCIQRFV-KRWDZBQOSA-N 1 0 330.436 1.316 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)c3ccccn3)cc2)CC1 ZINC000918852532 697216931 /nfs/dbraw/zinc/21/69/31/697216931.db2.gz QMAWLUYBERTJLN-GOSISDBHSA-N 1 0 340.427 1.183 20 10 EDCDRO C[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920921879 697491313 /nfs/dbraw/zinc/49/13/13/697491313.db2.gz YCMXQEXUYOCZJD-INIZCTEOSA-N 1 0 346.475 1.931 20 10 EDCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cnn(C)n3)CC2)cc1C ZINC000997090640 703328401 /nfs/dbraw/zinc/32/84/01/703328401.db2.gz ZYASIKQWPRTAEF-UHFFFAOYSA-N 1 0 343.431 1.527 20 10 EDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922592127 704103454 /nfs/dbraw/zinc/10/34/54/704103454.db2.gz CLAQQRKYDZCIIH-GOSISDBHSA-N 1 0 347.503 1.848 20 10 EDCDRO C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945226678 705328469 /nfs/dbraw/zinc/32/84/69/705328469.db2.gz XDOYHNHOGJFWIV-IUODEOHRSA-N 1 0 347.419 1.672 20 10 EDCDRO Cc1cccc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000372813028 250226433 /nfs/dbraw/zinc/22/64/33/250226433.db2.gz SGBRZCCRCOGWKT-MRXNPFEDSA-N 1 0 338.473 1.442 20 10 EDCDRO CN(c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376235115 250286408 /nfs/dbraw/zinc/28/64/08/250286408.db2.gz OBZDKIRNBKIXPC-FOSCPWQOSA-N 1 0 346.387 1.987 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000285148980 285100405 /nfs/dbraw/zinc/10/04/05/285100405.db2.gz ZACLUJSGJURRJC-UHFFFAOYSA-N 1 0 346.475 1.312 20 10 EDCDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000081528000 441283255 /nfs/dbraw/zinc/28/32/55/441283255.db2.gz OYYOUVLCTOGHCR-CQSZACIVSA-N 1 0 334.464 1.025 20 10 EDCDRO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000052686758 441469530 /nfs/dbraw/zinc/46/95/30/441469530.db2.gz KCEUUGCBFOYCAC-UHFFFAOYSA-N 1 0 331.460 1.968 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CCSC[C@@H]3C)CC2)cc1 ZINC000172590545 442497194 /nfs/dbraw/zinc/49/71/94/442497194.db2.gz ZWRDTMUXTHLDGB-HNNXBMFYSA-N 1 0 349.500 1.781 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCCOCC2)cc1F ZINC000187078257 442651414 /nfs/dbraw/zinc/65/14/14/442651414.db2.gz CZLFGISUYAWOGD-UHFFFAOYSA-N 1 0 338.427 1.413 20 10 EDCDRO C[C@H]1C[NH+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000180616447 442634877 /nfs/dbraw/zinc/63/48/77/442634877.db2.gz MQRMIFIJTKWMJN-MPCGPATOSA-N 1 0 334.416 1.727 20 10 EDCDRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000187316473 442669087 /nfs/dbraw/zinc/66/90/87/442669087.db2.gz OGRIURDEYGNQHW-UHFFFAOYSA-N 1 0 332.448 1.176 20 10 EDCDRO COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000188789520 442814427 /nfs/dbraw/zinc/81/44/27/442814427.db2.gz MVVVMANSIZUQLN-SJORKVTESA-N 1 0 334.416 1.022 20 10 EDCDRO COc1cc(N2CC[NH+](CCn3cccn3)CC2)cc(OC)c1OC ZINC000183696324 442953375 /nfs/dbraw/zinc/95/33/75/442953375.db2.gz GWCDFJWKEBIEAW-UHFFFAOYSA-N 1 0 346.431 1.731 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+](C)CCOC ZINC000263727196 443236979 /nfs/dbraw/zinc/23/69/79/443236979.db2.gz FFFNENGIZWSWAQ-UHFFFAOYSA-N 1 0 336.480 1.862 20 10 EDCDRO CCOC(=O)CCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000266716188 443217779 /nfs/dbraw/zinc/21/77/79/443217779.db2.gz GJOTWKAIFJVVIY-UHFFFAOYSA-N 1 0 329.780 1.974 20 10 EDCDRO CCS(=O)(=O)NCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000264562156 443326868 /nfs/dbraw/zinc/32/68/68/443326868.db2.gz PNPNNXIPRQVXRP-UHFFFAOYSA-N 1 0 327.494 1.902 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1OC ZINC000278567203 443364113 /nfs/dbraw/zinc/36/41/13/443364113.db2.gz BNCGALIVXJLWHF-CQSZACIVSA-N 1 0 346.431 1.902 20 10 EDCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000271066826 443489542 /nfs/dbraw/zinc/48/95/42/443489542.db2.gz JNAAUPDFTOZJOD-CYBMUJFWSA-N 1 0 328.434 1.305 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C12CCC[NH+]1CCC2 ZINC000278808428 443447698 /nfs/dbraw/zinc/44/76/98/443447698.db2.gz HXOIRVVVEHNOER-UHFFFAOYSA-N 1 0 329.444 1.768 20 10 EDCDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)c1 ZINC000271286444 443499094 /nfs/dbraw/zinc/49/90/94/443499094.db2.gz PDEHNSLXXQVKRW-UHFFFAOYSA-N 1 0 343.383 1.772 20 10 EDCDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000275517065 443630099 /nfs/dbraw/zinc/63/00/99/443630099.db2.gz KUSHPNSWYSEJKL-SUMWQHHRSA-N 1 0 331.372 1.864 20 10 EDCDRO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)n1 ZINC000275671950 443636142 /nfs/dbraw/zinc/63/61/42/443636142.db2.gz VPFHQTGVMOIIFF-AWEZNQCLSA-N 1 0 344.415 1.794 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274613153 443608524 /nfs/dbraw/zinc/60/85/24/443608524.db2.gz KOJSKBWHZUCORN-LSDHHAIUSA-N 1 0 349.475 1.855 20 10 EDCDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000275732365 443640329 /nfs/dbraw/zinc/64/03/29/443640329.db2.gz ZYLLFTWYVRMTRD-QAPCUYQASA-N 1 0 326.400 1.465 20 10 EDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275830975 443644426 /nfs/dbraw/zinc/64/44/26/443644426.db2.gz VIRJFYRHLSLKDZ-HNNXBMFYSA-N 1 0 327.432 1.779 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]C3CCC(O)CC3)CC2)cc1 ZINC000286126386 443651276 /nfs/dbraw/zinc/65/12/76/443651276.db2.gz OHBJLABWHJPBEW-UHFFFAOYSA-N 1 0 333.476 1.710 20 10 EDCDRO CC[C@H](C)[N@H+](CCO)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000286728420 443722612 /nfs/dbraw/zinc/72/26/12/443722612.db2.gz BLCYHDWHUJCXNA-INIZCTEOSA-N 1 0 349.475 1.437 20 10 EDCDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283840062 443737994 /nfs/dbraw/zinc/73/79/94/443737994.db2.gz CJRSPERTHXACTB-OAHLLOKOSA-N 1 0 346.475 1.217 20 10 EDCDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000277436450 443986896 /nfs/dbraw/zinc/98/68/96/443986896.db2.gz CYMVQVOKXQUWII-TWZSPHTKSA-N 1 0 329.444 1.745 20 10 EDCDRO Cc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)ccc1N(C)C ZINC000293667124 444083118 /nfs/dbraw/zinc/08/31/18/444083118.db2.gz ZDWZGDYQCKZRDY-UHFFFAOYSA-N 1 0 325.478 1.528 20 10 EDCDRO CC[N@H+](C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301637097 444183347 /nfs/dbraw/zinc/18/33/47/444183347.db2.gz XABBPZOQVJWHPC-NSHDSACASA-N 1 0 334.376 1.704 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000290079580 444239153 /nfs/dbraw/zinc/23/91/53/444239153.db2.gz WAAYCCNPYKIMNC-WBVHZDCISA-N 1 0 349.450 1.791 20 10 EDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000290079739 444239238 /nfs/dbraw/zinc/23/92/38/444239238.db2.gz IUBSUBCOGHPBBU-GDBMZVCRSA-N 1 0 335.423 1.871 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670837 445942641 /nfs/dbraw/zinc/94/26/41/445942641.db2.gz FCZPZNBTZAURQO-CQSZACIVSA-N 1 0 329.404 1.537 20 10 EDCDRO CN(C)c1ccc(C[N@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)cc1 ZINC000369510234 446126888 /nfs/dbraw/zinc/12/68/88/446126888.db2.gz PBLXUPRLYURCEJ-KRWDZBQOSA-N 1 0 340.475 1.831 20 10 EDCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000362035327 446169697 /nfs/dbraw/zinc/16/96/97/446169697.db2.gz ZTPKWLWJHBEHRL-ZDUSSCGKSA-N 1 0 334.807 1.983 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000371088673 446621279 /nfs/dbraw/zinc/62/12/79/446621279.db2.gz OLOBONLVNQDORB-KSSFIOAISA-N 1 0 330.432 1.563 20 10 EDCDRO COc1ccc(N2CCC([N@H+](C)CCN3CCNC3=O)CC2)cc1 ZINC000377555146 447200265 /nfs/dbraw/zinc/20/02/65/447200265.db2.gz RKEMYUHMGKIEMZ-UHFFFAOYSA-N 1 0 332.448 1.621 20 10 EDCDRO COC(=O)CCNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298731013 523090460 /nfs/dbraw/zinc/09/04/60/523090460.db2.gz SFIZIBLQWCNXLQ-UHFFFAOYSA-N 1 0 333.432 1.396 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cocn3)cc2F)CC1 ZINC000106702402 529153221 /nfs/dbraw/zinc/15/32/21/529153221.db2.gz YVJVFFPQJCQBOJ-UHFFFAOYSA-N 1 0 332.379 1.886 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cc1 ZINC000237263966 536671619 /nfs/dbraw/zinc/67/16/19/536671619.db2.gz QSYQDVJIISHXCF-OAHLLOKOSA-N 1 0 349.500 1.829 20 10 EDCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(O)c1 ZINC000742390472 579450488 /nfs/dbraw/zinc/45/04/88/579450488.db2.gz ICOBLOZXRQFYOK-LRDDRELGSA-N 1 0 344.415 1.808 20 10 EDCDRO O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)N1CCCC1 ZINC000732192448 578696779 /nfs/dbraw/zinc/69/67/79/578696779.db2.gz YVNZXCLNSAHRBZ-ZDUSSCGKSA-N 1 0 332.400 1.955 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)C[C@H]1CCOC1)cc2=O ZINC000734152139 578799169 /nfs/dbraw/zinc/79/91/69/578799169.db2.gz PSILCKHGQPFLTE-GFCCVEGCSA-N 1 0 348.403 1.470 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]C2(CO)CCOCC2)c1O ZINC000734845316 578839866 /nfs/dbraw/zinc/83/98/66/578839866.db2.gz NVAXHWFNVZWWQU-UHFFFAOYSA-N 1 0 346.221 1.794 20 10 EDCDRO COc1cccc(O)c1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000746743429 579608797 /nfs/dbraw/zinc/60/87/97/579608797.db2.gz XHQZQHAHOYBRON-UHFFFAOYSA-N 1 0 342.442 1.530 20 10 EDCDRO Oc1ccccc1CN(C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000749296214 579720834 /nfs/dbraw/zinc/72/08/34/579720834.db2.gz GQOIPCZSSZZEEP-ZWKOTPCHSA-N 1 0 334.460 1.830 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](OC)C3)CC2)cc1 ZINC000752088998 579837679 /nfs/dbraw/zinc/83/76/79/579837679.db2.gz QQWDSESPTBXBAQ-QGZVFWFLSA-N 1 0 333.432 1.065 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC3(C)C)CC2)cc1 ZINC000754066923 579895363 /nfs/dbraw/zinc/89/53/63/579895363.db2.gz NBLDDAWLXRTPRN-KRWDZBQOSA-N 1 0 333.476 1.662 20 10 EDCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000768193719 580208624 /nfs/dbraw/zinc/20/86/24/580208624.db2.gz JWPXMVXFUMRQKA-UHFFFAOYSA-N 1 0 334.416 1.472 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c(O)c1 ZINC000769428796 580236867 /nfs/dbraw/zinc/23/68/67/580236867.db2.gz UGVRBRJCRWUVLY-CQSZACIVSA-N 1 0 328.434 1.305 20 10 EDCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000775260363 580386998 /nfs/dbraw/zinc/38/69/98/580386998.db2.gz OXLKJVKSNUJVOJ-HNNXBMFYSA-N 1 0 340.489 1.999 20 10 EDCDRO COc1cc(O)c(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1OC ZINC000775637572 580395883 /nfs/dbraw/zinc/39/58/83/580395883.db2.gz SDRZEBIFDYPSCL-UHFFFAOYSA-N 1 0 334.416 1.900 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775832304 580402150 /nfs/dbraw/zinc/40/21/50/580402150.db2.gz YLEHTYYQZJODFK-CYBMUJFWSA-N 1 0 334.464 1.434 20 10 EDCDRO CCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2OCCOC)c(O)c1 ZINC000776812608 580429424 /nfs/dbraw/zinc/42/94/24/580429424.db2.gz LULVMYVJKXHMOL-DOTOQJQBSA-N 1 0 325.405 1.701 20 10 EDCDRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC000799743157 581035823 /nfs/dbraw/zinc/03/58/23/581035823.db2.gz XSJQANFXUOMTNY-FNORWQNLSA-N 1 0 333.432 1.253 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000800310279 581050328 /nfs/dbraw/zinc/05/03/28/581050328.db2.gz VRGRFYKYLOTKMQ-DOMZBBRYSA-N 1 0 342.461 1.598 20 10 EDCDRO COc1cccc(CNS(=O)(=O)CCC[NH+]2CCCC2)c1O ZINC000866840497 590627039 /nfs/dbraw/zinc/62/70/39/590627039.db2.gz HDJBLXVRAKTAGT-UHFFFAOYSA-N 1 0 328.434 1.306 20 10 EDCDRO CN1CC[NH+](C2CCN(C(=O)NCCc3ccc(N)cc3)CC2)CC1 ZINC000892038244 590764058 /nfs/dbraw/zinc/76/40/58/590764058.db2.gz BRHFOLQOQRODSG-UHFFFAOYSA-N 1 0 345.491 1.233 20 10 EDCDRO CC1(C)OC[C@H](C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)O1 ZINC000893328145 590782360 /nfs/dbraw/zinc/78/23/60/590782360.db2.gz JPHCOYJRFSOTAM-WBVHZDCISA-N 1 0 347.459 1.629 20 10 EDCDRO CNC(=O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892233619 590878462 /nfs/dbraw/zinc/87/84/62/590878462.db2.gz HBXJLUKTQQWMPC-MRXNPFEDSA-N 1 0 349.479 1.181 20 10 EDCDRO COCc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891247180 591016394 /nfs/dbraw/zinc/01/63/94/591016394.db2.gz GRROQDGVUHTUJO-AWEZNQCLSA-N 1 0 347.419 1.315 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000891248109 591017885 /nfs/dbraw/zinc/01/78/85/591017885.db2.gz VUMYPJHPVZVQGU-MAUKXSAKSA-N 1 0 332.492 1.813 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CC2OCCCO2)[NH+](C)C)cc1 ZINC000891248825 591019048 /nfs/dbraw/zinc/01/90/48/591019048.db2.gz OGOLFRYABWXRHF-INIZCTEOSA-N 1 0 335.448 1.625 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCN2CCOCC2)[NH+](C)C)cc1 ZINC000891254543 591021629 /nfs/dbraw/zinc/02/16/29/591021629.db2.gz ZHWLKWDCRCYYKV-SFHVURJKSA-N 1 0 348.491 1.194 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCN2CCOC2=O)[NH+](C)C)cc1 ZINC000891255990 591021861 /nfs/dbraw/zinc/02/18/61/591021861.db2.gz USLHHBKGIOCSBQ-INIZCTEOSA-N 1 0 348.447 1.314 20 10 EDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(O)c1OC ZINC000891746296 591207647 /nfs/dbraw/zinc/20/76/47/591207647.db2.gz SJNVWJLNEWEGMA-CYBMUJFWSA-N 1 0 335.404 1.399 20 10 EDCDRO COc1cccc(CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)c1O ZINC000896117976 591349725 /nfs/dbraw/zinc/34/97/25/591349725.db2.gz VFDSGOOERVHMSL-CQSZACIVSA-N 1 0 330.388 1.821 20 10 EDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894581045 591352158 /nfs/dbraw/zinc/35/21/58/591352158.db2.gz IJJFDCYTQFGXNP-HOCLYGCPSA-N 1 0 339.432 1.555 20 10 EDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1OC ZINC000894780271 591416378 /nfs/dbraw/zinc/41/63/78/591416378.db2.gz CQBNCZCIHKSUHP-CYBMUJFWSA-N 1 0 337.420 1.645 20 10 EDCDRO CO[C@@H]1CC[C@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896444121 591468441 /nfs/dbraw/zinc/46/84/41/591468441.db2.gz FZQKVODKUFXHIU-QZTJIDSGSA-N 1 0 346.475 1.757 20 10 EDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894918524 591474628 /nfs/dbraw/zinc/47/46/28/591474628.db2.gz WMBXPVWYNLAZIJ-SNVBAGLBSA-N 1 0 335.379 1.718 20 10 EDCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000895034012 591530231 /nfs/dbraw/zinc/53/02/31/591530231.db2.gz OKJIRVYMPJWFRL-LLVKDONJSA-N 1 0 347.390 1.672 20 10 EDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1O ZINC000897609459 591585221 /nfs/dbraw/zinc/58/52/21/591585221.db2.gz HISLBWVALRPHLO-YPMHNXCESA-N 1 0 328.434 1.147 20 10 EDCDRO COc1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)c(O)c1OC ZINC000895153742 591622029 /nfs/dbraw/zinc/62/20/29/591622029.db2.gz LNYNSSWDQXOBGI-UHFFFAOYSA-N 1 0 332.404 1.913 20 10 EDCDRO C[C@H](CCO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098012 591687246 /nfs/dbraw/zinc/68/72/46/591687246.db2.gz KLBATPGSPNEEIJ-RHSMWYFYSA-N 1 0 336.480 1.768 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+](C)C)cc1 ZINC000899100616 591690120 /nfs/dbraw/zinc/69/01/20/591690120.db2.gz AYXMWDVYGOZTAJ-HKUYNNGSSA-N 1 0 348.491 1.912 20 10 EDCDRO C/C=C\[C@@H](O)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000900014280 591867256 /nfs/dbraw/zinc/86/72/56/591867256.db2.gz HWVBXWUCMCIDBJ-LKIHTYOGSA-N 1 0 347.459 1.261 20 10 EDCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000898350914 591883538 /nfs/dbraw/zinc/88/35/38/591883538.db2.gz NCYHBYOOGRQCKY-NVXWUHKLSA-N 1 0 335.448 1.600 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000900260315 591963659 /nfs/dbraw/zinc/96/36/59/591963659.db2.gz BXAPLSRJZCEONY-IBGZPJMESA-N 1 0 333.476 1.996 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903865991 592341577 /nfs/dbraw/zinc/34/15/77/592341577.db2.gz GCTHVDXFUBFFBK-IBGZPJMESA-N 1 0 330.476 1.539 20 10 EDCDRO COc1cc(O)c(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1OC ZINC000903975329 592398658 /nfs/dbraw/zinc/39/86/58/592398658.db2.gz ZXNXBWGCJYNKSO-AWEZNQCLSA-N 1 0 336.432 1.658 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911380003 593012137 /nfs/dbraw/zinc/01/21/37/593012137.db2.gz KMDAGICIYXWYGU-HIFRSBDPSA-N 1 0 333.432 1.103 20 10 EDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC12COC2 ZINC000840099614 593179259 /nfs/dbraw/zinc/17/92/59/593179259.db2.gz RZSHLCFRWATFOE-MRXNPFEDSA-N 1 0 342.395 1.952 20 10 EDCDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(N(C)C)cc1 ZINC000838558959 593187467 /nfs/dbraw/zinc/18/74/67/593187467.db2.gz IXLWTSQYUCKKBC-QAPCUYQASA-N 1 0 348.491 1.960 20 10 EDCDRO CO[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839191352 593272921 /nfs/dbraw/zinc/27/29/21/593272921.db2.gz OGHOUDWGOKQYFQ-IRXDYDNUSA-N 1 0 331.460 1.916 20 10 EDCDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)NC(=O)NC1=O ZINC000809705742 593356369 /nfs/dbraw/zinc/35/63/69/593356369.db2.gz YQQKRUWITPQKNP-LRDDRELGSA-N 1 0 337.807 1.998 20 10 EDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC000814173900 593577484 /nfs/dbraw/zinc/57/74/84/593577484.db2.gz RXUGWVHLICXEPX-HALDLXJZSA-N 1 0 334.391 1.513 20 10 EDCDRO Cc1nocc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000815126086 593616775 /nfs/dbraw/zinc/61/67/75/593616775.db2.gz GINVLBORICRBCE-UHFFFAOYSA-N 1 0 335.429 1.508 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000817761528 593629026 /nfs/dbraw/zinc/62/90/26/593629026.db2.gz MFFHTFRIKKEPCL-KRWDZBQOSA-N 1 0 346.475 1.264 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000817922139 593649087 /nfs/dbraw/zinc/64/90/87/593649087.db2.gz RKSUBHXMMNDTTH-RHSMWYFYSA-N 1 0 346.475 1.297 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000817974104 593652889 /nfs/dbraw/zinc/65/28/89/593652889.db2.gz IWRZCZJECBHCDM-OAHLLOKOSA-N 1 0 347.459 1.718 20 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/nfs/dbraw/zinc/17/54/61/594175461.db2.gz USVDAVWHUXMYCS-JKSUJKDBSA-N 1 0 346.475 1.915 20 10 EDCDRO CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823518838 594213204 /nfs/dbraw/zinc/21/32/04/594213204.db2.gz CPALVWCIFHWDNI-UHFFFAOYSA-N 1 0 346.475 1.351 20 10 EDCDRO Cc1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000828491778 594435599 /nfs/dbraw/zinc/43/55/99/594435599.db2.gz AZWXDCXBTGCABO-INIZCTEOSA-N 1 0 337.489 1.848 20 10 EDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000831104425 594557623 /nfs/dbraw/zinc/55/76/23/594557623.db2.gz VHIOHMSPQKDBTF-STQMWFEESA-N 1 0 338.427 1.587 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)CCCC[NH3+])CC2)cc1 ZINC000829505631 594628029 /nfs/dbraw/zinc/62/80/29/594628029.db2.gz OOFSWBDZWTXLSM-UHFFFAOYSA-N 1 0 334.464 1.062 20 10 EDCDRO CNC(=O)c1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832272657 594739465 /nfs/dbraw/zinc/73/94/65/594739465.db2.gz IDSBENVNFIDQRS-QGZVFWFLSA-N 1 0 340.427 1.542 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn3c(n2)CCCC3)cc1 ZINC000832284054 594740228 /nfs/dbraw/zinc/74/02/28/594740228.db2.gz HDUXQAJOHYPRCN-OAHLLOKOSA-N 1 0 327.432 1.715 20 10 EDCDRO CC(=O)Nc1nc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000832299845 594741207 /nfs/dbraw/zinc/74/12/07/594741207.db2.gz KFAHOTRHNSOYRM-CYBMUJFWSA-N 1 0 347.444 1.597 20 10 EDCDRO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cc(Br)ccc1O ZINC000840805749 594817329 /nfs/dbraw/zinc/81/73/29/594817329.db2.gz TXVFLIQHUFWNPU-MWLCHTKSSA-N 1 0 341.209 1.458 20 10 EDCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840915148 594827208 /nfs/dbraw/zinc/82/72/08/594827208.db2.gz LCIWZELTHPXFFP-INIZCTEOSA-N 1 0 325.478 1.575 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000840947509 594831404 /nfs/dbraw/zinc/83/14/04/594831404.db2.gz XBWGVQKRVGWHMP-QGZVFWFLSA-N 1 0 339.505 1.965 20 10 EDCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841006916 594838000 /nfs/dbraw/zinc/83/80/00/594838000.db2.gz IUUNIRZKOYOBLG-OKILXGFUSA-N 1 0 332.448 1.692 20 10 EDCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841021213 594840880 /nfs/dbraw/zinc/84/08/80/594840880.db2.gz DUBDDQYFLMNYGN-MGPQQGTHSA-N 1 0 332.448 1.690 20 10 EDCDRO COc1ccc(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c(O)c1 ZINC000841321605 594884547 /nfs/dbraw/zinc/88/45/47/594884547.db2.gz KCQOHUPCLYZLJZ-ZDUSSCGKSA-N 1 0 342.399 1.934 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000841718227 594942536 /nfs/dbraw/zinc/94/25/36/594942536.db2.gz PTQRNRSJWHPZKL-QGZVFWFLSA-N 1 0 334.464 1.711 20 10 EDCDRO C[C@H](NC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000841739790 594945696 /nfs/dbraw/zinc/94/56/96/594945696.db2.gz CDOJEADOAIDSLO-HOTGVXAUSA-N 1 0 346.475 1.965 20 10 EDCDRO C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000841741779 594946182 /nfs/dbraw/zinc/94/61/82/594946182.db2.gz QPZPQZDGCJDAQS-LSDHHAIUSA-N 1 0 332.448 1.588 20 10 EDCDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841740857 594946233 /nfs/dbraw/zinc/94/62/33/594946233.db2.gz KQGOKBRNSFQLAO-YOEHRIQHSA-N 1 0 334.464 1.867 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000841779002 594950411 /nfs/dbraw/zinc/95/04/11/594950411.db2.gz KEAPNPKBLAQKRG-CQSZACIVSA-N 1 0 332.448 1.654 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)NC[C@H]3C[NH2+]CCCO3)cs2)cc1 ZINC000841854969 594966138 /nfs/dbraw/zinc/96/61/38/594966138.db2.gz CYVBHVMUQDVBLX-CQSZACIVSA-N 1 0 346.456 1.424 20 10 EDCDRO COc1cccc(CNC(=O)NCc2ccc(CC[NH3+])cc2)c1O ZINC000841925707 594982801 /nfs/dbraw/zinc/98/28/01/594982801.db2.gz BROARBWFBNAMPM-UHFFFAOYSA-N 1 0 329.400 1.901 20 10 EDCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841987121 594995845 /nfs/dbraw/zinc/99/58/45/594995845.db2.gz GGGRBHDOJPRLFK-MAUKXSAKSA-N 1 0 346.475 1.663 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000841999969 594998552 /nfs/dbraw/zinc/99/85/52/594998552.db2.gz QWHFEHRFOPUUKH-FVQHAEBGSA-N 1 0 330.432 1.135 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)CCC[NH3+])CC2)cc1F ZINC000842000655 594998682 /nfs/dbraw/zinc/99/86/82/594998682.db2.gz ZAXURWHNVGRCKL-ZDUSSCGKSA-N 1 0 338.427 1.793 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842206353 595039069 /nfs/dbraw/zinc/03/90/69/595039069.db2.gz DQANHEFCVCAPCC-JKSUJKDBSA-N 1 0 346.475 1.535 20 10 EDCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842216156 595041982 /nfs/dbraw/zinc/04/19/82/595041982.db2.gz ZTUDMNVNENNWDP-HNNXBMFYSA-N 1 0 346.475 1.250 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000842233796 595047072 /nfs/dbraw/zinc/04/70/72/595047072.db2.gz WZHVAGOXVDRDOS-OAHLLOKOSA-N 1 0 346.475 1.217 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000842266039 595060564 /nfs/dbraw/zinc/06/05/64/595060564.db2.gz QNJQYGUMAWBMIG-ZFWWWQNUSA-N 1 0 333.432 1.388 20 10 EDCDRO CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296669 595065331 /nfs/dbraw/zinc/06/53/31/595065331.db2.gz CZSXOFOCKOWJQA-SJORKVTESA-N 1 0 346.475 1.516 20 10 EDCDRO C[NH+](C)CCN1CCN(Cc2ccc3ccccc3c2O)CC1=O ZINC000846014014 595122403 /nfs/dbraw/zinc/12/24/03/595122403.db2.gz PANLRBHNHSJTSL-UHFFFAOYSA-N 1 0 327.428 1.751 20 10 EDCDRO CCC[NH2+][C@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000843489236 595127891 /nfs/dbraw/zinc/12/78/91/595127891.db2.gz JMYCRZJYRYAVOV-LLVKDONJSA-N 1 0 342.823 1.935 20 10 EDCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846140281 595155202 /nfs/dbraw/zinc/15/52/02/595155202.db2.gz MFVHYEBZMYFUCR-LBPRGKRZSA-N 1 0 330.450 1.723 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCCC3(C[NH3+])CC3)C2)cc1 ZINC000846180674 595166559 /nfs/dbraw/zinc/16/65/59/595166559.db2.gz WOICVZYPGVWRCU-HNNXBMFYSA-N 1 0 346.475 1.950 20 10 EDCDRO CCO[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000846226576 595179490 /nfs/dbraw/zinc/17/94/90/595179490.db2.gz PQUYCYZRMRZDMH-SJLPKXTDSA-N 1 0 348.491 1.007 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000867409908 595197939 /nfs/dbraw/zinc/19/79/39/595197939.db2.gz RJQALJGUHILFSI-OAHLLOKOSA-N 1 0 341.521 1.863 20 10 EDCDRO CN(C)c1ccc(/C=C\CN(C)CCN2CCCS2(=O)=O)cc1 ZINC000835028781 595247602 /nfs/dbraw/zinc/24/76/02/595247602.db2.gz KULNJSAUQDLQCG-XQRVVYSFSA-N 1 0 337.489 1.733 20 10 EDCDRO CON1CCC([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000835076071 595257985 /nfs/dbraw/zinc/25/79/85/595257985.db2.gz IYVQIRYXKRYCNS-UHFFFAOYSA-N 1 0 332.492 1.896 20 10 EDCDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174354 595291806 /nfs/dbraw/zinc/29/18/06/595291806.db2.gz XMVCCSHPGRJAKM-QGZVFWFLSA-N 1 0 331.460 1.510 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844218894 595305382 /nfs/dbraw/zinc/30/53/82/595305382.db2.gz DUAGRFHTKDYSGM-NVXWUHKLSA-N 1 0 332.492 1.770 20 10 EDCDRO CNS(=O)(=O)CCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400365 595337671 /nfs/dbraw/zinc/33/76/71/595337671.db2.gz AVXBJJYHJJUKIG-UHFFFAOYSA-N 1 0 329.466 1.003 20 10 EDCDRO [O-]c1c(Br)cccc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926042 595468650 /nfs/dbraw/zinc/46/86/50/595468650.db2.gz JXTYDGVYRKCUAL-NWDGAFQWSA-N 1 0 327.222 1.406 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000852762813 595532533 /nfs/dbraw/zinc/53/25/33/595532533.db2.gz XGUSBXKJYLJGHR-ZDUSSCGKSA-N 1 0 332.370 1.190 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1 ZINC000852775406 595538493 /nfs/dbraw/zinc/53/84/93/595538493.db2.gz SZSYMNZQLSXZFN-AWEZNQCLSA-N 1 0 327.432 1.825 20 10 EDCDRO Cc1ccncc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000850586900 595539153 /nfs/dbraw/zinc/53/91/53/595539153.db2.gz JZMUNCMBCYCXLM-OAHLLOKOSA-N 1 0 334.445 1.434 20 10 EDCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000850135933 595749980 /nfs/dbraw/zinc/74/99/80/595749980.db2.gz SKPOQPYPISMCBB-NVXWUHKLSA-N 1 0 338.473 1.579 20 10 EDCDRO CN1c2ccccc2C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1=O ZINC000850352824 595815879 /nfs/dbraw/zinc/81/58/79/595815879.db2.gz JGRNTBGITWKEQA-CYBMUJFWSA-N 1 0 326.352 1.798 20 10 EDCDRO OCCO[C@]1(C[NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000850358609 595818264 /nfs/dbraw/zinc/81/82/64/595818264.db2.gz SKNZUMZYVRGNQR-AWEZNQCLSA-N 1 0 346.221 1.412 20 10 EDCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000850360403 595818303 /nfs/dbraw/zinc/81/83/03/595818303.db2.gz DUEWSXHHANQULA-SJLPKXTDSA-N 1 0 347.436 1.961 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000851664416 595874684 /nfs/dbraw/zinc/87/46/84/595874684.db2.gz ZDUGFKHKDYZZLJ-GRDNDAEWSA-N 1 0 332.448 1.571 20 10 EDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+](C)C ZINC000856211561 595926859 /nfs/dbraw/zinc/92/68/59/595926859.db2.gz USASPCSLSPEUGE-SFHVURJKSA-N 1 0 333.476 1.850 20 10 EDCDRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000859230353 596011477 /nfs/dbraw/zinc/01/14/77/596011477.db2.gz VEAFOFDRBKJDHP-CRAIPNDOSA-N 1 0 334.460 1.840 20 10 EDCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(OC)ccc3O)C2)n1 ZINC000856595053 596027442 /nfs/dbraw/zinc/02/74/42/596027442.db2.gz NAWBJUDOGOJIHZ-SFHVURJKSA-N 1 0 347.415 1.916 20 10 EDCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000861564104 596030733 /nfs/dbraw/zinc/03/07/33/596030733.db2.gz FRVJHKYARLYNJE-GOSISDBHSA-N 1 0 346.475 1.663 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)C2)cc1 ZINC000861648616 596057199 /nfs/dbraw/zinc/05/71/99/596057199.db2.gz YJVMINXFGNXPKM-OAGGEKHMSA-N 1 0 346.475 1.961 20 10 EDCDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852187114 596077225 /nfs/dbraw/zinc/07/72/25/596077225.db2.gz NFQMYMARQUNVKR-OAHLLOKOSA-N 1 0 348.491 1.787 20 10 EDCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1 ZINC000861717206 596078613 /nfs/dbraw/zinc/07/86/13/596078613.db2.gz CUQJQGMZJUOCKS-KRWDZBQOSA-N 1 0 343.427 1.559 20 10 EDCDRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000857061155 596150268 /nfs/dbraw/zinc/15/02/68/596150268.db2.gz KUXNSSUXISVFMR-SFHVURJKSA-N 1 0 345.399 1.800 20 10 EDCDRO CC(C)C1(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000866756998 596324666 /nfs/dbraw/zinc/32/46/66/596324666.db2.gz GKICQUPKOZBHJR-OAHLLOKOSA-N 1 0 325.478 1.860 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)CS(N)(=O)=O)cc1F ZINC000865814682 596694924 /nfs/dbraw/zinc/69/49/24/596694924.db2.gz YNVSZVLWDGWKMM-UHFFFAOYSA-N 1 0 335.420 1.435 20 10 EDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000863968188 596736435 /nfs/dbraw/zinc/73/64/35/596736435.db2.gz FKRFWXHPMFURPI-VQTJNVASSA-N 1 0 348.487 1.867 20 10 EDCDRO CN(C)c1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1F ZINC000124133297 596960654 /nfs/dbraw/zinc/96/06/54/596960654.db2.gz MYXNDJDDGNULSU-UHFFFAOYSA-N 1 0 325.428 1.018 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H](O)C2CCOCC2)cc1Cn1cccn1 ZINC000873055033 597173528 /nfs/dbraw/zinc/17/35/28/597173528.db2.gz BNPJCICTBIZAIN-SFHVURJKSA-N 1 0 345.443 1.817 20 10 EDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1Cn1cccn1 ZINC000873116796 597201068 /nfs/dbraw/zinc/20/10/68/597201068.db2.gz NAUFDIYYOVPTQJ-RDTXWAMCSA-N 1 0 331.416 1.570 20 10 EDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1=O ZINC000873131859 597206441 /nfs/dbraw/zinc/20/64/41/597206441.db2.gz XTYZLDXCDNECCJ-INIZCTEOSA-N 1 0 328.416 1.650 20 10 EDCDRO CCOCC[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876563571 597241902 /nfs/dbraw/zinc/24/19/02/597241902.db2.gz AWGNNNGXWQPDPB-UHFFFAOYSA-N 1 0 347.503 1.802 20 10 EDCDRO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876687290 597288241 /nfs/dbraw/zinc/28/82/41/597288241.db2.gz NDYCQXNEIRNVAA-MRXNPFEDSA-N 1 0 349.475 1.359 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@H](OC)C[NH2+]3)CC2)cc1 ZINC000876708446 597296933 /nfs/dbraw/zinc/29/69/33/597296933.db2.gz 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597553045 /nfs/dbraw/zinc/55/30/45/597553045.db2.gz DWKLAYKYBVLJNJ-MJGOQNOKSA-N 1 0 329.396 1.899 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCCC3)CC2)cc1 ZINC000877911796 597563622 /nfs/dbraw/zinc/56/36/22/597563622.db2.gz DMINXMWZAGIKEI-QGZVFWFLSA-N 1 0 334.460 1.873 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000883033425 597625829 /nfs/dbraw/zinc/62/58/29/597625829.db2.gz RKNDPILYYDWXKD-QGZVFWFLSA-N 1 0 332.448 1.417 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCOC3)cc2)CC1 ZINC000883168203 597674569 /nfs/dbraw/zinc/67/45/69/597674569.db2.gz RRUDOGCNVSGTKT-QGZVFWFLSA-N 1 0 346.475 1.664 20 10 EDCDRO Cc1cc(=O)[nH]c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881853156 597754974 /nfs/dbraw/zinc/75/49/74/597754974.db2.gz LOEFRIHWJHHVGI-UHFFFAOYSA-N 1 0 340.427 1.777 20 10 EDCDRO CC(=O)NCC(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852874 597755443 /nfs/dbraw/zinc/75/54/43/597755443.db2.gz DQSHWGRZIQDGIF-UHFFFAOYSA-N 1 0 346.475 1.217 20 10 EDCDRO 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CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000853474486 595762012 /nfs/dbraw/zinc/76/20/12/595762012.db2.gz JJEDALPGLLVLLU-SFHVURJKSA-N 1 0 346.475 1.759 20 10 EDCDRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858469671 595804019 /nfs/dbraw/zinc/80/40/19/595804019.db2.gz XXALTDHPLAGWHO-VHSSKADRSA-N 1 0 338.423 1.853 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000851656769 595870292 /nfs/dbraw/zinc/87/02/92/595870292.db2.gz OUKROROHLQDCGE-UHFFFAOYSA-N 1 0 344.459 1.715 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000851662909 595873597 /nfs/dbraw/zinc/87/35/97/595873597.db2.gz NMNGIKZKYJKLAK-KXBFYZLASA-N 1 0 346.475 1.963 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CCC[NH2+]1 ZINC000851664657 595874713 /nfs/dbraw/zinc/87/47/13/595874713.db2.gz IFJWMSVXTPGSDK-OAHLLOKOSA-N 1 0 332.448 1.199 20 10 EDCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000851692230 595887347 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COc1ccc(N2CC[C@H](NC(=O)/C=C/[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000876959261 597396508 /nfs/dbraw/zinc/39/65/08/597396508.db2.gz HWPZWGSZWMLLPD-VVXZVVLWSA-N 1 0 329.444 1.946 20 10 EDCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1(O)CCOCC1 ZINC000877459958 597519088 /nfs/dbraw/zinc/51/90/88/597519088.db2.gz PFKCOAGPBARDPJ-UHFFFAOYSA-N 1 0 334.460 1.621 20 10 EDCDRO COC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)O1 ZINC000877463668 597519418 /nfs/dbraw/zinc/51/94/18/597519418.db2.gz IQYACKRKVVJGBV-KXBFYZLASA-N 1 0 334.460 1.883 20 10 EDCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000877489346 597524201 /nfs/dbraw/zinc/52/42/01/597524201.db2.gz MXTOIIDLRUKPOE-OALUTQOASA-N 1 0 334.460 1.931 20 10 EDCDRO C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)[N@H+]1CCO ZINC000877568513 597537411 /nfs/dbraw/zinc/53/74/11/597537411.db2.gz PXBLHTUBZSLNNV-CALCHBBNSA-N 1 0 347.503 1.535 20 10 EDCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]2CCCCN12 ZINC000877579218 597537949 /nfs/dbraw/zinc/53/79/49/597537949.db2.gz OSTDTPYCYQHRAB-HKUYNNGSSA-N 1 0 343.471 1.891 20 10 EDCDRO COc1ccc(N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)cc1 ZINC000877620717 597542077 /nfs/dbraw/zinc/54/20/77/597542077.db2.gz MCHHHJPWBWRBME-HNNXBMFYSA-N 1 0 338.473 1.688 20 10 EDCDRO C[C@]12C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000877669243 597546385 /nfs/dbraw/zinc/54/63/85/597546385.db2.gz ZSRJAAFXRTWNAS-KDURUIRLSA-N 1 0 343.427 1.008 20 10 EDCDRO C[C@@]12C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000877669244 597546457 /nfs/dbraw/zinc/54/64/57/597546457.db2.gz ZSRJAAFXRTWNAS-OALUTQOASA-N 1 0 343.427 1.008 20 10 EDCDRO COc1cccc(O)c1C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000877680518 597547210 /nfs/dbraw/zinc/54/72/10/597547210.db2.gz ZDHFOBFJJQXCHB-UHFFFAOYSA-N 1 0 326.396 1.987 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)[C@H]4CCCN4C3=O)cc2)CC1 ZINC000877875667 597561613 /nfs/dbraw/zinc/56/16/13/597561613.db2.gz XWKARSAAMWCBEV-MRXNPFEDSA-N 1 0 328.416 1.365 20 10 EDCDRO CCOCCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883045714 597630087 /nfs/dbraw/zinc/63/00/87/597630087.db2.gz KBJAZKTUNNBQNO-UHFFFAOYSA-N 1 0 334.464 1.664 20 10 EDCDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000879651653 597674617 /nfs/dbraw/zinc/67/46/17/597674617.db2.gz FMLRGOQNAXTKON-UONOGXRCSA-N 1 0 334.416 1.845 20 10 EDCDRO COCC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883273707 597697647 /nfs/dbraw/zinc/69/76/47/597697647.db2.gz RASKFCNGEAHSFN-HNNXBMFYSA-N 1 0 334.464 1.663 20 10 EDCDRO COCc1cc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000883283576 597699661 /nfs/dbraw/zinc/69/96/61/597699661.db2.gz KPHCJFMWLWYDOH-UHFFFAOYSA-N 1 0 330.432 1.863 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1O ZINC000883371086 597725745 /nfs/dbraw/zinc/72/57/45/597725745.db2.gz YOSDZKRCIRXOQA-IAGOWNOFSA-N 1 0 333.476 1.839 20 10 EDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000883697909 597866267 /nfs/dbraw/zinc/86/62/67/597866267.db2.gz SBRIORUMYWGLFH-WBVHZDCISA-N 1 0 346.475 1.915 20 10 EDCDRO CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883738760 597882362 /nfs/dbraw/zinc/88/23/62/597882362.db2.gz HLDVHIZHYBQHRO-MAEOIBBWSA-N 1 0 346.475 1.805 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](CF)C3)CC2)cc1 ZINC000880289713 597892642 /nfs/dbraw/zinc/89/26/42/597892642.db2.gz PETTZHHXGDOUIE-HNNXBMFYSA-N 1 0 335.423 1.635 20 10 EDCDRO C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884011227 597967952 /nfs/dbraw/zinc/96/79/52/597967952.db2.gz XNZGJOKGVDVZMZ-NJAPINKUSA-N 1 0 341.459 1.958 20 10 EDCDRO C[C@@H]1C(=O)CCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000924006683 696047583 /nfs/dbraw/zinc/04/75/83/696047583.db2.gz KNPXLPQZSTWQFY-OAHLLOKOSA-N 1 0 344.459 1.701 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cn[nH]n3)CC2(C)C)cc1C ZINC000995989620 702364290 /nfs/dbraw/zinc/36/42/90/702364290.db2.gz QUAQJDHCQGAUEJ-MRXNPFEDSA-N 1 0 343.431 1.762 20 10 EDCDRO CO[C@]1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCS(=O)(=O)C1 ZINC000922617684 704152243 /nfs/dbraw/zinc/15/22/43/704152243.db2.gz UPVLHIAMYSNZPW-BDUNBXCCSA-N 1 0 338.473 1.559 20 10 EDCDRO CCOCc1cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)ccc1OC ZINC000922637401 704166705 /nfs/dbraw/zinc/16/67/05/704166705.db2.gz CATXLVOWJZFUJQ-UHFFFAOYSA-N 1 0 344.477 1.649 20 10 EDCDRO CN(C)c1ccc(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000702368375 709503690 /nfs/dbraw/zinc/50/36/90/709503690.db2.gz APKYYBMSIVFTRT-LJQANCHMSA-N 1 0 340.471 1.828 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000090017882 237009560 /nfs/dbraw/zinc/00/95/60/237009560.db2.gz VNKAKZUNONTCJP-CXAGYDPISA-N 1 0 327.432 1.942 20 10 EDCDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000377836589 250293777 /nfs/dbraw/zinc/29/37/77/250293777.db2.gz CKHBMGUSMHAMRT-UWWQBHOKSA-N 1 0 329.444 1.622 20 10 EDCDRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000187949871 533485635 /nfs/dbraw/zinc/48/56/35/533485635.db2.gz COGWPBNCJJANRZ-ZWKOTPCHSA-N 1 0 331.460 1.916 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419701794 447359657 /nfs/dbraw/zinc/35/96/57/447359657.db2.gz AYKJVGDFPSDMDU-CHWSQXEVSA-N 1 0 342.443 1.312 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000378437503 447427156 /nfs/dbraw/zinc/42/71/56/447427156.db2.gz GQACAVGLAIHKHL-CRAIPNDOSA-N 1 0 349.475 1.238 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1OC ZINC000160294502 441871143 /nfs/dbraw/zinc/87/11/43/441871143.db2.gz OBSHHUCQHDTDMV-CQSZACIVSA-N 1 0 336.432 1.564 20 10 EDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1 ZINC000069065303 441885521 /nfs/dbraw/zinc/88/55/21/441885521.db2.gz DBOMUMFCRQDKDD-UHFFFAOYSA-N 1 0 347.484 1.962 20 10 EDCDRO CN(C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161830499 442037243 /nfs/dbraw/zinc/03/72/43/442037243.db2.gz MJLAKMHLJKSLJS-CYBMUJFWSA-N 1 0 347.868 1.406 20 10 EDCDRO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3ccccc3O)C2)cc1 ZINC000154586709 442346670 /nfs/dbraw/zinc/34/66/70/442346670.db2.gz KYGTXOLDVPEIAB-UHFFFAOYSA-N 1 0 348.424 1.564 20 10 EDCDRO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179902817 442517451 /nfs/dbraw/zinc/51/74/51/442517451.db2.gz VWIGAAFOVXLPSU-UHFFFAOYSA-N 1 0 342.378 1.530 20 10 EDCDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181297334 442689115 /nfs/dbraw/zinc/68/91/15/442689115.db2.gz GOXXDBGBZHPBAO-ZDUSSCGKSA-N 1 0 335.423 1.839 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000183637552 442948499 /nfs/dbraw/zinc/94/84/99/442948499.db2.gz JQGALQHAENWJHF-GOSISDBHSA-N 1 0 327.428 1.692 20 10 EDCDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(O)c1O ZINC000189911222 443028111 /nfs/dbraw/zinc/02/81/11/443028111.db2.gz IZSWWIPDZRJOLX-GJZGRUSLSA-N 1 0 334.416 1.596 20 10 EDCDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000184921206 443098605 /nfs/dbraw/zinc/09/86/05/443098605.db2.gz YSRIKYOKIKQMMT-GFCCVEGCSA-N 1 0 326.462 1.861 20 10 EDCDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000237810398 443183552 /nfs/dbraw/zinc/18/35/52/443183552.db2.gz SLTWRYMUIXFXIE-IBGZPJMESA-N 1 0 339.439 1.709 20 10 EDCDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000237879076 443185752 /nfs/dbraw/zinc/18/57/52/443185752.db2.gz NQIQPAGCTXSHAM-ZGRWHYIRSA-N 1 0 329.444 1.734 20 10 EDCDRO COc1cccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)c1O ZINC000263729265 443237054 /nfs/dbraw/zinc/23/70/54/443237054.db2.gz XUSPPUWZDIRMSL-UHFFFAOYSA-N 1 0 346.383 1.563 20 10 EDCDRO CNC(=O)C[C@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000263861568 443240712 /nfs/dbraw/zinc/24/07/12/443240712.db2.gz VJJIYCYZEFNDFX-INIZCTEOSA-N 1 0 348.491 1.322 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@H]1CCCO1)cc2=O ZINC000263910741 443242570 /nfs/dbraw/zinc/24/25/70/443242570.db2.gz LYXNXQJDMWLPHS-GFCCVEGCSA-N 1 0 334.376 1.222 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2F)C[C@@H](C)O1 ZINC000269265722 443258181 /nfs/dbraw/zinc/25/81/81/443258181.db2.gz ZAHOBTYQBDBJBE-IOASZLSFSA-N 1 0 335.423 1.808 20 10 EDCDRO CCC[C@@H]([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000272467207 443328705 /nfs/dbraw/zinc/32/87/05/443328705.db2.gz PPJVAIOEJBLJLW-QGZVFWFLSA-N 1 0 334.464 1.061 20 10 EDCDRO CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000267111632 443345027 /nfs/dbraw/zinc/34/50/27/443345027.db2.gz YSDZTQMPWWTHAH-UHFFFAOYSA-N 1 0 338.427 1.365 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269368940 443295499 /nfs/dbraw/zinc/29/54/99/443295499.db2.gz WCJXIFLWBRNKJR-FUHWJXTLSA-N 1 0 347.459 1.911 20 10 EDCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269786300 443440454 /nfs/dbraw/zinc/44/04/54/443440454.db2.gz HXGBEYLDNIHPSN-QAPCUYQASA-N 1 0 333.476 1.946 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264888480 443468233 /nfs/dbraw/zinc/46/82/33/443468233.db2.gz JJGAGVSHJCBYJV-AHKGRUIUSA-N 1 0 329.444 1.747 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1O ZINC000278882998 443471612 /nfs/dbraw/zinc/47/16/12/443471612.db2.gz CUIIPLXJOPFALO-ZIAGYGMSSA-N 1 0 328.416 1.806 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000279345606 443561002 /nfs/dbraw/zinc/56/10/02/443561002.db2.gz FQQFXUBNAJIWEU-AWEZNQCLSA-N 1 0 340.445 1.401 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1C ZINC000273542090 443579112 /nfs/dbraw/zinc/57/91/12/443579112.db2.gz YLDILGQWASDIOG-UONOGXRCSA-N 1 0 326.462 1.941 20 10 EDCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273973326 443589184 /nfs/dbraw/zinc/58/91/84/443589184.db2.gz HSEXYMOIGIYNMA-GJZGRUSLSA-N 1 0 349.475 1.888 20 10 EDCDRO Nc1cc[nH+]cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000275650651 443635685 /nfs/dbraw/zinc/63/56/85/443635685.db2.gz LLPWYGUVXMUYLP-UHFFFAOYSA-N 1 0 344.390 1.694 20 10 EDCDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000275012759 443618101 /nfs/dbraw/zinc/61/81/01/443618101.db2.gz NRZPQUVPKXEZEU-VIFPVBQESA-N 1 0 346.305 1.621 20 10 EDCDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283529951 443654520 /nfs/dbraw/zinc/65/45/20/443654520.db2.gz PEPPSISPNIWPSX-MRXNPFEDSA-N 1 0 346.475 1.217 20 10 EDCDRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)nn1 ZINC000284335690 443773248 /nfs/dbraw/zinc/77/32/48/443773248.db2.gz LCMSVRKAODCJGK-LBPRGKRZSA-N 1 0 344.415 2.000 20 10 EDCDRO CO[C@H]1C[C@@H](CN(C)CC(=O)NCc2ccc(N(C)C)cc2)[N@H+](C)C1 ZINC000285013894 443821876 /nfs/dbraw/zinc/82/18/76/443821876.db2.gz ZSZTYQYOBZHLGF-ROUUACIJSA-N 1 0 348.491 1.020 20 10 EDCDRO CCNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293684741 444084323 /nfs/dbraw/zinc/08/43/23/444084323.db2.gz RSAGQLPKKIZPRW-JTQLQIEISA-N 1 0 336.816 1.698 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)[C@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000295268646 444174184 /nfs/dbraw/zinc/17/41/84/444174184.db2.gz VLKAFOXMPFYQGM-HNNXBMFYSA-N 1 0 346.475 1.074 20 10 EDCDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)NC(=O)NC1=O ZINC000289629026 444183047 /nfs/dbraw/zinc/18/30/47/444183047.db2.gz LXJOXGGJVJUNOV-DIFFPNOSSA-N 1 0 347.371 1.074 20 10 EDCDRO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+](C2CC2)C1 ZINC000296720645 444249596 /nfs/dbraw/zinc/24/95/96/444249596.db2.gz NAKMVVHHQBCHSG-MRXNPFEDSA-N 1 0 344.503 1.785 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c(O)c1 ZINC000359955039 445503065 /nfs/dbraw/zinc/50/30/65/445503065.db2.gz AQALRGFXVWHXPA-DLBZAZTESA-N 1 0 333.476 1.758 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000363857542 445879656 /nfs/dbraw/zinc/87/96/56/445879656.db2.gz QKJPBGYELLMNCO-PZROIBLQSA-N 1 0 347.415 1.772 20 10 EDCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000364820536 445957275 /nfs/dbraw/zinc/95/72/75/445957275.db2.gz JYAPIFDKRZANMJ-OAHLLOKOSA-N 1 0 338.473 1.642 20 10 EDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367059836 446494667 /nfs/dbraw/zinc/49/46/67/446494667.db2.gz LHLQTHSBCUSFNY-QGZVFWFLSA-N 1 0 329.444 1.277 20 10 EDCDRO COC[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000367591480 446565344 /nfs/dbraw/zinc/56/53/44/446565344.db2.gz ZQMKBBRXGDZESR-AWEZNQCLSA-N 1 0 343.374 1.347 20 10 EDCDRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)CCO2 ZINC000375043271 446537791 /nfs/dbraw/zinc/53/77/91/446537791.db2.gz VPVYDDBXMJOJQL-UKRRQHHQSA-N 1 0 345.848 1.872 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000371239811 446709040 /nfs/dbraw/zinc/70/90/40/446709040.db2.gz QWIYUUJQOGKFLR-GOSISDBHSA-N 1 0 330.476 1.539 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC3CCC1CC3)cc2=O ZINC000371392835 446829456 /nfs/dbraw/zinc/82/94/56/446829456.db2.gz LGLAKUPFEYEHAY-UHFFFAOYSA-N 1 0 330.388 1.986 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1C1CC1)cc2=O ZINC000377542220 447193602 /nfs/dbraw/zinc/19/36/02/447193602.db2.gz FODITWQYFZSQFF-AWEZNQCLSA-N 1 0 330.388 1.986 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](c1cncn1C)N(C)C ZINC000576467769 448062866 /nfs/dbraw/zinc/06/28/66/448062866.db2.gz CJCQIMAJXWTMCX-KRWDZBQOSA-N 1 0 343.431 1.514 20 10 EDCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298622602 525821325 /nfs/dbraw/zinc/82/13/25/525821325.db2.gz VBNQZLSVJQETJJ-QAPCUYQASA-N 1 0 333.476 1.994 20 10 EDCDRO CC[NH+](CC)[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000173845660 528289239 /nfs/dbraw/zinc/28/92/39/528289239.db2.gz QXAPNAZPIAWVGO-SFHVURJKSA-N 1 0 332.492 1.785 20 10 EDCDRO COc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000759879412 580017755 /nfs/dbraw/zinc/01/77/55/580017755.db2.gz VEUYPRYBTGOWRN-AWEZNQCLSA-N 1 0 336.432 1.871 20 10 EDCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000760047551 580022103 /nfs/dbraw/zinc/02/21/03/580022103.db2.gz PIUXVDJONDBIHO-ZYHUDNBSSA-N 1 0 345.440 1.502 20 10 EDCDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000729522970 578580687 /nfs/dbraw/zinc/58/06/87/578580687.db2.gz BEEJDXLUTDDICO-AWEZNQCLSA-N 1 0 335.423 1.355 20 10 EDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CN1CCCC1=O ZINC000732408649 578710506 /nfs/dbraw/zinc/71/05/06/578710506.db2.gz WCFPVJWAZTZDQT-GOSISDBHSA-N 1 0 333.476 1.946 20 10 EDCDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000760547746 580033374 /nfs/dbraw/zinc/03/33/74/580033374.db2.gz AZPDRHXNCTXZDR-AWEZNQCLSA-N 1 0 326.400 1.976 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCO1 ZINC000753664915 579884548 /nfs/dbraw/zinc/88/45/48/579884548.db2.gz RANVMUKBMBTQPX-YOEHRIQHSA-N 1 0 338.473 1.579 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)CC(C)C)CC2)cc1 ZINC000754016003 579893931 /nfs/dbraw/zinc/89/39/31/579893931.db2.gz ZKUHKXLGXWFXDC-GOSISDBHSA-N 1 0 335.492 1.766 20 10 EDCDRO C[C@H]([NH2+]CCn1nc2ccccn2c1=O)c1ccc(N(C)C)cc1 ZINC000765399119 580141074 /nfs/dbraw/zinc/14/10/74/580141074.db2.gz AVUGHFZAHLVXRZ-AWEZNQCLSA-N 1 0 325.416 1.913 20 10 EDCDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)n1 ZINC000768438987 580212685 /nfs/dbraw/zinc/21/26/85/580212685.db2.gz CSDHEPPJUPAYNX-XHDPSFHLSA-N 1 0 331.372 1.889 20 10 EDCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768445833 580213088 /nfs/dbraw/zinc/21/30/88/580213088.db2.gz IMQARHWQLVRKQR-INIZCTEOSA-N 1 0 338.473 1.785 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000774483352 580363215 /nfs/dbraw/zinc/36/32/15/580363215.db2.gz KAHOBMURCDPDAM-KGLIPLIRSA-N 1 0 346.475 1.529 20 10 EDCDRO COCCCS(=O)(=O)NCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775376077 580389624 /nfs/dbraw/zinc/38/96/24/580389624.db2.gz RVXVJBLVHYEHTP-LBPRGKRZSA-N 1 0 346.449 1.007 20 10 EDCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000779516948 580487674 /nfs/dbraw/zinc/48/76/74/580487674.db2.gz KXGRSVDWNMXWKU-LEXSJLIMSA-N 1 0 346.427 1.871 20 10 EDCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000780480889 580524185 /nfs/dbraw/zinc/52/41/85/580524185.db2.gz RVQLNUJEROZFST-LRDDRELGSA-N 1 0 336.432 1.095 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000785439156 580644760 /nfs/dbraw/zinc/64/47/60/580644760.db2.gz MCTCLKRHRXJRFF-AWEZNQCLSA-N 1 0 348.491 1.461 20 10 EDCDRO CC[C@@]1([NH2+]CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOC1 ZINC000792417647 580819588 /nfs/dbraw/zinc/81/95/88/580819588.db2.gz HTPYIODRLVYAKQ-LJQANCHMSA-N 1 0 347.459 1.503 20 10 EDCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cncn1 ZINC000891247195 591016284 /nfs/dbraw/zinc/01/62/84/591016284.db2.gz GWUDUONCDHHNCM-CJNGLKHVSA-N 1 0 330.436 1.324 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2cncn2C)[NH+](C)C)cc1 ZINC000891247108 591016499 /nfs/dbraw/zinc/01/64/99/591016499.db2.gz FCWHVFPRQHOQNX-GOSISDBHSA-N 1 0 343.475 1.838 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCN2CCOC2=O)[NH+](C)C)cc1 ZINC000891255991 591021534 /nfs/dbraw/zinc/02/15/34/591021534.db2.gz USLHHBKGIOCSBQ-MRXNPFEDSA-N 1 0 348.447 1.314 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C)c(=O)c2)[NH+](C)C)cc1 ZINC000891256235 591022542 /nfs/dbraw/zinc/02/25/42/591022542.db2.gz VYTOOQUWRWSLPA-QGZVFWFLSA-N 1 0 342.443 1.484 20 10 EDCDRO COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c(O)c1OC ZINC000891693953 591187766 /nfs/dbraw/zinc/18/77/66/591187766.db2.gz JPHPZOKLZQJDPJ-UHFFFAOYSA-N 1 0 332.404 1.918 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000894277356 591262060 /nfs/dbraw/zinc/26/20/60/591262060.db2.gz UCKARPMEKCXEOF-CQSZACIVSA-N 1 0 330.388 1.338 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000894859418 591447771 /nfs/dbraw/zinc/44/77/71/591447771.db2.gz IHODLSUDJHQLDV-OAHLLOKOSA-N 1 0 332.404 1.630 20 10 EDCDRO C[C@@H]1COC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896642158 591560751 /nfs/dbraw/zinc/56/07/51/591560751.db2.gz WRSSHPCEQQCTSZ-XOKHGSTOSA-N 1 0 334.464 1.689 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(CN3CCNC3=O)CC2)cc1OC ZINC000897583040 591566382 /nfs/dbraw/zinc/56/63/82/591566382.db2.gz LTHRZZLBNVGKHJ-UHFFFAOYSA-N 1 0 349.431 1.647 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC23CC(O)C3)[NH+](C)C)cc1 ZINC000899095441 591677223 /nfs/dbraw/zinc/67/72/23/591677223.db2.gz KSSZRQGTULVOBC-ISXWCOSWSA-N 1 0 346.475 1.568 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@]3(O)C[C@H]3C2)[NH+](C)C)cc1 ZINC000899097682 591678365 /nfs/dbraw/zinc/67/83/65/591678365.db2.gz DZQSQVXNZTYILF-VDZJLULYSA-N 1 0 346.475 1.522 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCCCO)[NH+](C)C)cc1 ZINC000899101894 591681906 /nfs/dbraw/zinc/68/19/06/591681906.db2.gz JBGUHGMNQSRMKJ-QGZVFWFLSA-N 1 0 336.480 1.817 20 10 EDCDRO CC(C)[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(N)=O ZINC000899104180 591684201 /nfs/dbraw/zinc/68/42/01/591684201.db2.gz QJGMOXBEWVKLPR-HZPDHXFCSA-N 1 0 349.479 1.164 20 10 EDCDRO C[C@H](CCO)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098011 591687150 /nfs/dbraw/zinc/68/71/50/591687150.db2.gz KLBATPGSPNEEIJ-PBHICJAKSA-N 1 0 336.480 1.768 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1 ZINC000897041363 591722313 /nfs/dbraw/zinc/72/23/13/591722313.db2.gz LNXZTMDGINBWEH-AWEZNQCLSA-N 1 0 334.416 1.254 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1F ZINC000898155559 591805579 /nfs/dbraw/zinc/80/55/79/591805579.db2.gz PFFILZFNFFFLDM-ZDUSSCGKSA-N 1 0 331.395 1.756 20 10 EDCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000898352417 591884824 /nfs/dbraw/zinc/88/48/24/591884824.db2.gz ZPXJHVPEDLETAX-GOVFWEMJSA-N 1 0 347.459 1.805 20 10 EDCDRO COC[C@@H]1C[NH2+]CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000900450292 592020909 /nfs/dbraw/zinc/02/09/09/592020909.db2.gz LTRRCOIWWQVVIN-AGLBCWCQSA-N 1 0 335.360 1.206 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(O)c1C ZINC000903228317 592143516 /nfs/dbraw/zinc/14/35/16/592143516.db2.gz YLGNRVNICKJFBJ-LBPRGKRZSA-N 1 0 348.490 1.717 20 10 EDCDRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000903805508 592328205 /nfs/dbraw/zinc/32/82/05/592328205.db2.gz IDANRLKIXHZZDR-UHFFFAOYSA-N 1 0 334.464 1.167 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)cc1F ZINC000905105556 592408474 /nfs/dbraw/zinc/40/84/74/592408474.db2.gz LSPQQLOLGBAXIR-YJBOKZPZSA-N 1 0 340.439 1.664 20 10 EDCDRO Nc1ccc(CCNC(=O)COc2ccc(CCC[NH3+])cc2)cc1 ZINC000911783263 593004603 /nfs/dbraw/zinc/00/46/03/593004603.db2.gz SOODFKQARRTXQD-UHFFFAOYSA-N 1 0 327.428 1.898 20 10 EDCDRO COCCn1nnc2c1CCN(Cc1cc3c(cc1O)CCC3)C2 ZINC000840084229 593148397 /nfs/dbraw/zinc/14/83/97/593148397.db2.gz RRGKJAXZOOFNDU-UHFFFAOYSA-N 1 0 328.416 1.677 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000806043282 593182675 /nfs/dbraw/zinc/18/26/75/593182675.db2.gz ZMGDLSUQZAGPIW-OFQRWUPVSA-N 1 0 346.475 1.529 20 10 EDCDRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807672984 593189052 /nfs/dbraw/zinc/18/90/52/593189052.db2.gz LARKWDOIBNAZIM-OAHLLOKOSA-N 1 0 348.491 1.778 20 10 EDCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)C[NH+](C)C)c2C)cc1 ZINC000808174504 593234196 /nfs/dbraw/zinc/23/41/96/593234196.db2.gz SYWYJYCXPXBOEG-HNNXBMFYSA-N 1 0 345.443 1.755 20 10 EDCDRO OCC(CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838967174 593244434 /nfs/dbraw/zinc/24/44/34/593244434.db2.gz QLLRXKHIMNGMTJ-UHFFFAOYSA-N 1 0 343.265 1.882 20 10 EDCDRO CON1CCC([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000839129318 593267548 /nfs/dbraw/zinc/26/75/48/593267548.db2.gz JZRWCRPYRZJRBX-UHFFFAOYSA-N 1 0 348.491 1.669 20 10 EDCDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806541255 593457134 /nfs/dbraw/zinc/45/71/34/593457134.db2.gz IEFGMHQDGKWFRC-GJZGRUSLSA-N 1 0 334.464 1.834 20 10 EDCDRO CN(C)C(=O)CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816482789 593526489 /nfs/dbraw/zinc/52/64/89/593526489.db2.gz TWCWWYFFSKBQTP-UHFFFAOYSA-N 1 0 327.428 1.751 20 10 EDCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H](O)CN1CCOCC1 ZINC000816514307 593528864 /nfs/dbraw/zinc/52/88/64/593528864.db2.gz STTBNTSHWFVEGR-KRWDZBQOSA-N 1 0 330.428 1.670 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]C2COCCOC2)c1O ZINC000813789749 593555314 /nfs/dbraw/zinc/55/53/14/593555314.db2.gz YOSAXMJGSDWMLM-UHFFFAOYSA-N 1 0 332.194 1.668 20 10 EDCDRO Cc1nocc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000815117176 593616191 /nfs/dbraw/zinc/61/61/91/593616191.db2.gz MXQJTVJPWBRWTI-HNNXBMFYSA-N 1 0 328.416 1.975 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000817928841 593649611 /nfs/dbraw/zinc/64/96/11/593649611.db2.gz CCEBVTIRTFEFQE-INIZCTEOSA-N 1 0 346.475 1.297 20 10 EDCDRO COc1ccc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c(O)c1 ZINC000818000215 593655335 /nfs/dbraw/zinc/65/53/35/593655335.db2.gz KUWWPJBLXRLDRC-IBGZPJMESA-N 1 0 326.396 1.948 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000818656492 593710695 /nfs/dbraw/zinc/71/06/95/593710695.db2.gz VXERPNDSUHKXRZ-CVEARBPZSA-N 1 0 346.475 1.963 20 10 EDCDRO COC[C@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819001736 593733358 /nfs/dbraw/zinc/73/33/58/593733358.db2.gz DAEYIHNSVMMHTK-CQSZACIVSA-N 1 0 330.375 1.854 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000819376888 593752524 /nfs/dbraw/zinc/75/25/24/593752524.db2.gz JVMFHTKWXCZDNM-APWZRJJASA-N 1 0 335.492 1.275 20 10 EDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)C[N@H+](CC)C1CC1 ZINC000819696708 593764003 /nfs/dbraw/zinc/76/40/03/593764003.db2.gz ASYWNMXCMFBELA-UHFFFAOYSA-N 1 0 334.416 1.768 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1Cl ZINC000824777236 594072951 /nfs/dbraw/zinc/07/29/51/594072951.db2.gz MCRRIEZVYDZRAS-LLVKDONJSA-N 1 0 332.853 1.855 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000831114503 594559519 /nfs/dbraw/zinc/55/95/19/594559519.db2.gz WEYDVXAJSFJVNX-KDOFPFPSSA-N 1 0 332.448 1.573 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831171671 594574251 /nfs/dbraw/zinc/57/42/51/594574251.db2.gz FJHXAAYSVAINGF-QGZVFWFLSA-N 1 0 344.459 1.465 20 10 EDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000831202119 594580336 /nfs/dbraw/zinc/58/03/36/594580336.db2.gz AWZBUSGINUWWEU-LSDHHAIUSA-N 1 0 334.464 1.790 20 10 EDCDRO COc1cc(Cl)cc(CN(CC[NH+](C)C)CC(=O)N(C)C)c1O ZINC000827159204 594649379 /nfs/dbraw/zinc/64/93/79/594649379.db2.gz ZNVRLLFTVUNXJO-UHFFFAOYSA-N 1 0 343.855 1.506 20 10 EDCDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469498 594675157 /nfs/dbraw/zinc/67/51/57/594675157.db2.gz ZLIJEOVMNGOGGD-HOCLYGCPSA-N 1 0 344.459 1.003 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000831749090 594699136 /nfs/dbraw/zinc/69/91/36/594699136.db2.gz XXFQIFMBWNVWBP-PBHICJAKSA-N 1 0 333.432 1.016 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)CC1 ZINC000832172500 594732254 /nfs/dbraw/zinc/73/22/54/594732254.db2.gz IKZJBZZGXBDGCY-UHFFFAOYSA-N 1 0 344.459 1.243 20 10 EDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)[NH2+]C3CC3)cc2)CC1 ZINC000832173210 594732380 /nfs/dbraw/zinc/73/23/80/594732380.db2.gz NXQWPHBPQWWTHC-CQSZACIVSA-N 1 0 344.459 1.112 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(C)n(C)n3)CC2)cc1 ZINC000840885283 594823566 /nfs/dbraw/zinc/82/35/66/594823566.db2.gz BEFRIHPUOAWLML-UHFFFAOYSA-N 1 0 343.475 1.649 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000840942887 594830656 /nfs/dbraw/zinc/83/06/56/594830656.db2.gz LBQIMUWAALUSTA-WBVHZDCISA-N 1 0 339.505 1.869 20 10 EDCDRO COc1cc(Br)cc(CN2CCCO[C@H](C[NH3+])C2)c1O ZINC000841101554 594851314 /nfs/dbraw/zinc/85/13/14/594851314.db2.gz YINNAVNLRJLWSW-GFCCVEGCSA-N 1 0 345.237 1.713 20 10 EDCDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729322 594944584 /nfs/dbraw/zinc/94/45/84/594944584.db2.gz DKAKLUYGROAJQG-ZBFHGGJFSA-N 1 0 332.448 1.402 20 10 EDCDRO O=C(NCc1cccc(Br)c1O)NC1CC[NH2+]CC1 ZINC000841916423 594981193 /nfs/dbraw/zinc/98/11/93/594981193.db2.gz ZUCJVXBVVBFXDU-UHFFFAOYSA-N 1 0 328.210 1.706 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000841945119 594987365 /nfs/dbraw/zinc/98/73/65/594987365.db2.gz XAUOICQWSBPBRI-CYBMUJFWSA-N 1 0 336.411 1.418 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000842151813 595023952 /nfs/dbraw/zinc/02/39/52/595023952.db2.gz CXIBCDFZRUIGQT-GOEBONIOSA-N 1 0 346.475 1.263 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842203128 595036832 /nfs/dbraw/zinc/03/68/32/595036832.db2.gz PCXLIDZPFWTXQK-CYBMUJFWSA-N 1 0 334.464 1.373 20 10 EDCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842202731 595037175 /nfs/dbraw/zinc/03/71/75/595037175.db2.gz KXCYVDNYXRBVGH-YDHLFZDLSA-N 1 0 332.448 1.126 20 10 EDCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842210429 595040819 /nfs/dbraw/zinc/04/08/19/595040819.db2.gz AGXPBWOQJSTOQE-GOEBONIOSA-N 1 0 344.459 1.099 20 10 EDCDRO Nc1ccc(CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000842241949 595051901 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CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000835029777 595248203 /nfs/dbraw/zinc/24/82/03/595248203.db2.gz SFHWNXRZRJZJNZ-OICCZTGUSA-N 1 0 337.489 1.766 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccnc2N(C)C)cc1 ZINC000844162977 595287932 /nfs/dbraw/zinc/28/79/32/595287932.db2.gz QFJBZDIXUWBVGV-MRXNPFEDSA-N 1 0 327.432 1.643 20 10 EDCDRO CCS(=O)(=O)NCCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400977 595337438 /nfs/dbraw/zinc/33/74/38/595337438.db2.gz JBJAKQTZAGSGBP-UHFFFAOYSA-N 1 0 343.493 1.393 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848630412 595419428 /nfs/dbraw/zinc/41/94/28/595419428.db2.gz SXUNYSHTRUPBPN-WOVMCDHWSA-N 1 0 346.475 1.167 20 10 EDCDRO C[NH+](C)CCn1ccc(C(=O)NCCCSc2nccs2)n1 ZINC000847487345 595432056 /nfs/dbraw/zinc/43/20/56/595432056.db2.gz CHZXIIZFDBULNL-UHFFFAOYSA-N 1 0 339.490 1.813 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848934464 595470210 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O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCN1C1CCC1 ZINC000858343286 595769619 /nfs/dbraw/zinc/76/96/19/595769619.db2.gz WRLLFDMOVFVVEJ-QGZVFWFLSA-N 1 0 347.434 1.905 20 10 EDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)CC1 ZINC000850356533 595816669 /nfs/dbraw/zinc/81/66/69/595816669.db2.gz UCMXAEYWBGXTBA-INIZCTEOSA-N 1 0 338.473 1.438 20 10 EDCDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Br)ccc1O ZINC000858547653 595824857 /nfs/dbraw/zinc/82/48/57/595824857.db2.gz ICEXEZMLTBJDAR-ZYHUDNBSSA-N 1 0 329.238 1.872 20 10 EDCDRO CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851629867 595861219 /nfs/dbraw/zinc/86/12/19/595861219.db2.gz CHKZJERTCUOTMJ-YOEHRIQHSA-N 1 0 335.448 1.453 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000851664507 595874694 /nfs/dbraw/zinc/87/46/94/595874694.db2.gz CQSNEOLSVKFOGD-HUUCEWRRSA-N 1 0 332.448 1.573 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000851668795 595877319 /nfs/dbraw/zinc/87/73/19/595877319.db2.gz UQQATFBRUMUGCZ-KFWWJZLASA-N 1 0 332.448 1.714 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[NH2+]CC1 ZINC000851679534 595882356 /nfs/dbraw/zinc/88/23/56/595882356.db2.gz CIPYYDWJTPNOQD-UHFFFAOYSA-N 1 0 332.448 1.153 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000851686491 595884854 /nfs/dbraw/zinc/88/48/54/595884854.db2.gz OYFJBMSQBYPZER-UHFFFAOYSA-N 1 0 344.459 1.017 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1F ZINC000851806781 595929962 /nfs/dbraw/zinc/92/99/62/595929962.db2.gz WTSBNHONJQXFMX-INIZCTEOSA-N 1 0 339.455 1.657 20 10 EDCDRO COC(=O)CCN1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1=O ZINC000851899877 595968624 /nfs/dbraw/zinc/96/86/24/595968624.db2.gz JKICXJFBPPLXQW-FZMZJTMJSA-N 1 0 336.388 1.215 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000861573182 596032890 /nfs/dbraw/zinc/03/28/90/596032890.db2.gz CYCOPVQHXAMJAN-QGZVFWFLSA-N 1 0 346.475 1.711 20 10 EDCDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1CO ZINC000856790700 596083571 /nfs/dbraw/zinc/08/35/71/596083571.db2.gz JXQVDENYAJWJBB-NVXWUHKLSA-N 1 0 333.476 1.661 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854642375 596145646 /nfs/dbraw/zinc/14/56/46/596145646.db2.gz LEOLDMROUBRLNM-JFOCPDPESA-N 1 0 332.400 1.433 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984542 596170441 /nfs/dbraw/zinc/17/04/41/596170441.db2.gz GWWRSNVLMSQXJX-HWKANZROSA-N 1 0 346.427 1.824 20 10 EDCDRO CC[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(N(C)C)cc1 ZINC000866552732 596247707 /nfs/dbraw/zinc/24/77/07/596247707.db2.gz BNTGYPSEIOTJBK-IEBWSBKVSA-N 1 0 347.459 1.421 20 10 EDCDRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)c(O)c1O ZINC000870666964 596315733 /nfs/dbraw/zinc/31/57/33/596315733.db2.gz OWDRTDGJARWXSN-UHFFFAOYSA-N 1 0 342.399 1.805 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000862754314 596404735 /nfs/dbraw/zinc/40/47/35/596404735.db2.gz XLABVOUEJIPQFT-IRXDYDNUSA-N 1 0 342.443 1.786 20 10 EDCDRO Cc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(N)=O ZINC000865296340 596530929 /nfs/dbraw/zinc/53/09/29/596530929.db2.gz WVKBPBDNTGOSPB-UHFFFAOYSA-N 1 0 339.443 1.853 20 10 EDCDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000865818518 596696125 /nfs/dbraw/zinc/69/61/25/596696125.db2.gz AXRBTMIBVNFQCG-UHFFFAOYSA-N 1 0 347.484 1.993 20 10 EDCDRO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1O ZINC000868309416 596782433 /nfs/dbraw/zinc/78/24/33/596782433.db2.gz IEYIKWVRUAHRTQ-LBPRGKRZSA-N 1 0 339.395 1.854 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868367714 596806113 /nfs/dbraw/zinc/80/61/13/596806113.db2.gz VHRZMLWYDMHHPA-GASCZTMLSA-N 1 0 331.416 1.094 20 10 EDCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000866457324 596889509 /nfs/dbraw/zinc/88/95/09/596889509.db2.gz MIURZMJXJIMGND-LBPRGKRZSA-N 1 0 326.462 1.861 20 10 EDCDRO C[NH+](C)CCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000866484806 596892273 /nfs/dbraw/zinc/89/22/73/596892273.db2.gz DZDXOLPEUYBZHO-UHFFFAOYSA-N 1 0 325.478 1.658 20 10 EDCDRO O=C1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCCCCN1 ZINC000872667553 597022569 /nfs/dbraw/zinc/02/25/69/597022569.db2.gz JTPQFAYSDDLFBQ-MRXNPFEDSA-N 1 0 334.416 1.700 20 10 EDCDRO COc1ccc(C[NH2+]CCN2CCO[C@H](C)C2)cc1Cn1cccn1 ZINC000873044343 597169809 /nfs/dbraw/zinc/16/98/09/597169809.db2.gz KONYZHHIQSKONA-MRXNPFEDSA-N 1 0 344.459 1.750 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1Cn1cccn1 ZINC000873054611 597173533 /nfs/dbraw/zinc/17/35/33/597173533.db2.gz QSUDEXKFEOPQHC-MRXNPFEDSA-N 1 0 349.456 1.607 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1Cn1cccn1 ZINC000873072162 597180881 /nfs/dbraw/zinc/18/08/81/597180881.db2.gz UXVGYJYYLVILFC-INIZCTEOSA-N 1 0 328.416 1.650 20 10 EDCDRO Cc1ccc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c(O)c1 ZINC000876552048 597237278 /nfs/dbraw/zinc/23/72/78/597237278.db2.gz HWZOGGYKEZBPJY-UHFFFAOYSA-N 1 0 331.460 1.831 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000875057307 597264269 /nfs/dbraw/zinc/26/42/69/597264269.db2.gz SBAWLPADSXMEBK-UHFFFAOYSA-N 1 0 334.464 1.526 20 10 EDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000876707793 597296201 /nfs/dbraw/zinc/29/62/01/597296201.db2.gz AKDJMPHWEGGSJW-UIXCXIJASA-N 1 0 329.444 1.756 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC1C[NH2+]C1 ZINC000876880452 597368115 /nfs/dbraw/zinc/36/81/15/597368115.db2.gz UYRDOKAYIVOATL-UHFFFAOYSA-N 1 0 340.807 1.547 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)/C=C\[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000876959260 597396691 /nfs/dbraw/zinc/39/66/91/597396691.db2.gz HWPZWGSZWMLLPD-LFWKBAGKSA-N 1 0 329.444 1.946 20 10 EDCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)c(O)c1 ZINC000877012115 597411152 /nfs/dbraw/zinc/41/11/52/597411152.db2.gz OCAZUFSLEARWHJ-UHFFFAOYSA-N 1 0 330.475 1.169 20 10 EDCDRO OC1CCN(c2ccc(C[N@@H+]3CCCC4(C3)OCCO4)cc2)CC1 ZINC000877170922 597450955 /nfs/dbraw/zinc/45/09/55/597450955.db2.gz XUPQLYKKZVJCHH-UHFFFAOYSA-N 1 0 332.444 1.987 20 10 EDCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000877493734 597524828 /nfs/dbraw/zinc/52/48/28/597524828.db2.gz CZAQTOQKDLLMTC-IRXDYDNUSA-N 1 0 334.460 1.382 20 10 EDCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)cc1 ZINC000877620718 597542135 /nfs/dbraw/zinc/54/21/35/597542135.db2.gz MCHHHJPWBWRBME-OAHLLOKOSA-N 1 0 338.473 1.688 20 10 EDCDRO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877624372 597542312 /nfs/dbraw/zinc/54/23/12/597542312.db2.gz OJPWGIRIKBFKSP-IBGZPJMESA-N 1 0 334.460 1.621 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000877680641 597547266 /nfs/dbraw/zinc/54/72/66/597547266.db2.gz YGKDKGCARDKHSW-RYUDHWBXSA-N 1 0 330.384 1.701 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c1 ZINC000877794625 597558250 /nfs/dbraw/zinc/55/82/50/597558250.db2.gz XKLRWWNKKXRDAJ-ZIAGYGMSSA-N 1 0 325.430 1.657 20 10 EDCDRO CCn1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000878040603 597571468 /nfs/dbraw/zinc/57/14/68/597571468.db2.gz JSMGQCACSKDZDC-UHFFFAOYSA-N 1 0 342.447 1.977 20 10 EDCDRO CC[NH+](CC)CC[C@@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000883161179 597672820 /nfs/dbraw/zinc/67/28/20/597672820.db2.gz LFBANQJCCCPRGM-SFHVURJKSA-N 1 0 335.492 1.706 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)C(C)(C)C)cc2)CC1 ZINC000881849682 597753133 /nfs/dbraw/zinc/75/31/33/597753133.db2.gz SQVUXSZXKKKRMR-UHFFFAOYSA-N 1 0 346.475 1.217 20 10 EDCDRO Cc1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(N)n1 ZINC000881850640 597753905 /nfs/dbraw/zinc/75/39/05/597753905.db2.gz AKDUMBXLUFSPLZ-UHFFFAOYSA-N 1 0 340.431 1.049 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(C)C2(C[NH3+])CCCCC2)cc1 ZINC000883454143 597754038 /nfs/dbraw/zinc/75/40/38/597754038.db2.gz QLEJMWGTFPXYTP-UHFFFAOYSA-N 1 0 332.492 1.962 20 10 EDCDRO CCCNC(=O)CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851500 597754360 /nfs/dbraw/zinc/75/43/60/597754360.db2.gz LICQBKXZCUPJMF-UHFFFAOYSA-N 1 0 346.475 1.361 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3coc(C(N)=O)c3)cc2)CC1 ZINC000881852732 597755104 /nfs/dbraw/zinc/75/51/04/597755104.db2.gz ZBQHJYQWMCFRFB-UHFFFAOYSA-N 1 0 342.399 1.060 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCCOC3)cc2)CC1 ZINC000881854160 597756563 /nfs/dbraw/zinc/75/65/63/597756563.db2.gz VFSXFXSRSIGFCG-KRWDZBQOSA-N 1 0 331.460 1.871 20 10 EDCDRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083858 598069502 /nfs/dbraw/zinc/06/95/02/598069502.db2.gz KNAHGACLEQPIFG-GOSISDBHSA-N 1 0 344.463 1.659 20 10 EDCDRO Cn1ncc2c1ncnc2NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880161 598093797 /nfs/dbraw/zinc/09/37/97/598093797.db2.gz DVYITQFPYHLQPE-UHFFFAOYSA-N 1 0 337.431 1.727 20 10 EDCDRO COc1ccc(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c(O)c1 ZINC000915165061 695754510 /nfs/dbraw/zinc/75/45/10/695754510.db2.gz RFVSWKNDABYJAJ-INIZCTEOSA-N 1 0 340.445 1.306 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2C)cc1C ZINC000939400501 699549611 /nfs/dbraw/zinc/54/96/11/699549611.db2.gz OMYHVMFXIHMLNS-GOEBONIOSA-N 1 0 342.443 1.906 20 10 EDCDRO C[NH+](C)[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000108807045 237101327 /nfs/dbraw/zinc/10/13/27/237101327.db2.gz YNCUJGQUUOLIGV-KRZKXXONSA-N 1 0 329.444 1.699 20 10 EDCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000272313832 249461679 /nfs/dbraw/zinc/46/16/79/249461679.db2.gz SEFMDFHJKRUJOG-KTDSNECNSA-N 1 0 329.444 1.732 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC(S(=O)(=O)NC)CC2)c1O ZINC000372399268 250220061 /nfs/dbraw/zinc/22/00/61/250220061.db2.gz GFJNOUHJYNHAOE-UHFFFAOYSA-N 1 0 328.434 1.305 20 10 EDCDRO CCC[NH+]1CCC(N2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000370499590 250206990 /nfs/dbraw/zinc/20/69/90/250206990.db2.gz MZSKPQPNCOXHNZ-UHFFFAOYSA-N 1 0 347.459 1.730 20 10 EDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)nn1 ZINC000375178167 250279283 /nfs/dbraw/zinc/27/92/83/250279283.db2.gz STCJIJNVAGAOOA-CYBMUJFWSA-N 1 0 346.387 1.616 20 10 EDCDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419705119 447361953 /nfs/dbraw/zinc/36/19/53/447361953.db2.gz IEBXSKWCYHCNKI-UHFFFAOYSA-N 1 0 330.432 1.171 20 10 EDCDRO Cc1cccc(C[N@H+]2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1O ZINC000378436739 447427779 /nfs/dbraw/zinc/42/77/79/447427779.db2.gz DBNDUSKVAANUHR-WMZOPIPTSA-N 1 0 333.476 1.537 20 10 EDCDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccccc4O)C[C@H]3C2)no1 ZINC000378500339 447435997 /nfs/dbraw/zinc/43/59/97/447435997.db2.gz UEJBXXBXCOSUDY-GJZGRUSLSA-N 1 0 328.416 1.901 20 10 EDCDRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386712 441222037 /nfs/dbraw/zinc/22/20/37/441222037.db2.gz NLQSCVYQIFYRCX-CQSZACIVSA-N 1 0 332.448 1.953 20 10 EDCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000122206782 441839052 /nfs/dbraw/zinc/83/90/52/441839052.db2.gz XXYWVYMLAAZXTL-HNNXBMFYSA-N 1 0 334.416 1.400 20 10 EDCDRO CCC1(CO)CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000128202226 442251791 /nfs/dbraw/zinc/25/17/91/442251791.db2.gz YNECWKHHMDCDJE-UHFFFAOYSA-N 1 0 333.476 1.853 20 10 EDCDRO C[N@@H+]1CCC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC[C@@H]21 ZINC000133487249 442420568 /nfs/dbraw/zinc/42/05/68/442420568.db2.gz ZDMKJCLVFSTZCQ-AAEUAGOBSA-N 1 0 346.387 1.846 20 10 EDCDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000186077887 442458181 /nfs/dbraw/zinc/45/81/81/442458181.db2.gz YIQRHRYJOZSCNL-CYBMUJFWSA-N 1 0 341.473 1.983 20 10 EDCDRO COc1cc(O)c(CN2CCN(CC[NH+]3CCCC3)CC2)cc1OC ZINC000179598956 442479845 /nfs/dbraw/zinc/47/98/45/442479845.db2.gz BETLLGYGLABSIE-UHFFFAOYSA-N 1 0 349.475 1.623 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000178957105 442538678 /nfs/dbraw/zinc/53/86/78/442538678.db2.gz URBIRLZVOUXEFC-ZVVFDCPKSA-N 1 0 329.444 1.652 20 10 EDCDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3cc(F)ccc3O)CC2)cn1 ZINC000180025521 442530496 /nfs/dbraw/zinc/53/04/96/442530496.db2.gz PNWBFBNLJXBSQR-UHFFFAOYSA-N 1 0 346.406 1.907 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2=O)c1 ZINC000182466144 442771094 /nfs/dbraw/zinc/77/10/94/442771094.db2.gz JZQVQWRVKISSOE-BLLLJJGKSA-N 1 0 344.415 1.981 20 10 EDCDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]12 ZINC000185140831 443146294 /nfs/dbraw/zinc/14/62/94/443146294.db2.gz PLOPMPNXOXYWJD-JWVQFLFDSA-N 1 0 341.455 1.732 20 10 EDCDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000268776846 443105090 /nfs/dbraw/zinc/10/50/90/443105090.db2.gz WDNCMHWFYFWBJH-LSDHHAIUSA-N 1 0 338.473 1.609 20 10 EDCDRO CCOc1cccc(C[NH2+]CCCN(CC)S(C)(=O)=O)c1O ZINC000236882742 443151256 /nfs/dbraw/zinc/15/12/56/443151256.db2.gz NPYROTQPJYTJLW-UHFFFAOYSA-N 1 0 330.450 1.552 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(O)(CC)CC1)cc2=O ZINC000266723652 443219218 /nfs/dbraw/zinc/21/92/18/443219218.db2.gz ILFVFCSQGOXZGH-UHFFFAOYSA-N 1 0 348.403 1.349 20 10 EDCDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000269395643 443302795 /nfs/dbraw/zinc/30/27/95/443302795.db2.gz BXBVWYASNLQYQR-LLVKDONJSA-N 1 0 332.853 1.807 20 10 EDCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000271063557 443487871 /nfs/dbraw/zinc/48/78/71/443487871.db2.gz IEOSVMHDBUKTJB-UHFFFAOYSA-N 1 0 344.459 1.561 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C)(CO)CC1)cc2=O ZINC000273833039 443586792 /nfs/dbraw/zinc/58/67/92/443586792.db2.gz HQYZTEOHCVCLKT-UHFFFAOYSA-N 1 0 348.403 1.206 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1[C@H](C)CC(O)C[C@H]1C)cc2=O ZINC000276420064 443701087 /nfs/dbraw/zinc/70/10/87/443701087.db2.gz IJXWGKJTJLZEOG-GHMZBOCLSA-N 1 0 348.403 1.345 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1OC ZINC000284284021 443771752 /nfs/dbraw/zinc/77/17/52/443771752.db2.gz ATHTUWDNLDYQLJ-MLGOLLRUSA-N 1 0 327.421 1.657 20 10 EDCDRO CN(C)c1ccc(C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C2CC2)cc1 ZINC000298737519 443854316 /nfs/dbraw/zinc/85/43/16/443854316.db2.gz VQBWAXIZXOIRAM-UHFFFAOYSA-N 1 0 342.443 1.315 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000285611464 444048237 /nfs/dbraw/zinc/04/82/37/444048237.db2.gz XJDACWWLCONHQW-UHFFFAOYSA-N 1 0 333.388 1.401 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3conc3C)CC2)cc1 ZINC000293462373 444024770 /nfs/dbraw/zinc/02/47/70/444024770.db2.gz DFKRUOWYKABXJO-UHFFFAOYSA-N 1 0 330.432 1.903 20 10 EDCDRO CC(C)[C@H](CNC(=O)NCc1ccccc1O)[NH+]1CCN(C)CC1 ZINC000299478424 444057748 /nfs/dbraw/zinc/05/77/48/444057748.db2.gz GIFXGMPWLHOOHU-INIZCTEOSA-N 1 0 334.464 1.463 20 10 EDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000299491705 444061453 /nfs/dbraw/zinc/06/14/53/444061453.db2.gz GBZCIGGAXPUHQW-SFHVURJKSA-N 1 0 331.460 1.606 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCOC3(C)C)CC2)cc1 ZINC000293692170 444084411 /nfs/dbraw/zinc/08/44/11/444084411.db2.gz KXWSGQZCTXXXMW-GOSISDBHSA-N 1 0 333.476 1.974 20 10 EDCDRO COc1c(O)c(CN(CCS(C)(=O)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000278173500 444110985 /nfs/dbraw/zinc/11/09/85/444110985.db2.gz FZOKJUDPXBJVRM-UHFFFAOYSA-N 1 0 346.405 1.564 20 10 EDCDRO CCn1cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cn1 ZINC000296137579 444207137 /nfs/dbraw/zinc/20/71/37/444207137.db2.gz RUBVKCSQXREXST-CQSZACIVSA-N 1 0 329.448 1.936 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000297756817 444329472 /nfs/dbraw/zinc/32/94/72/444329472.db2.gz HJAIZFQDLLEZKN-KRWDZBQOSA-N 1 0 346.475 1.264 20 10 EDCDRO COc1cccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000369856511 446161535 /nfs/dbraw/zinc/16/15/35/446161535.db2.gz CGMJCBJKOIEXCY-KBPBESRZSA-N 1 0 335.404 1.063 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000370015697 446174671 /nfs/dbraw/zinc/17/46/71/446174671.db2.gz ATOZSXPCHMPWNM-JZLODUJNSA-N 1 0 329.444 1.795 20 10 EDCDRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc(F)ccc3O)CC(=O)N2C)cn1 ZINC000370616450 446358899 /nfs/dbraw/zinc/35/88/99/446358899.db2.gz AOLDVTKHDUTZAT-YVEFUNNKSA-N 1 0 332.379 1.574 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)c1 ZINC000371332693 446783395 /nfs/dbraw/zinc/78/33/95/446783395.db2.gz AVVGDGWOAQTAEZ-UHFFFAOYSA-N 1 0 330.388 1.609 20 10 EDCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)C[NH+](C)C)ccc21 ZINC000673520391 487045068 /nfs/dbraw/zinc/04/50/68/487045068.db2.gz DXLCRDMXWBFDRJ-INIZCTEOSA-N 1 0 347.459 1.557 20 10 EDCDRO C[C@@H](CO)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC1CCC1 ZINC000298512924 524788187 /nfs/dbraw/zinc/78/81/87/524788187.db2.gz KRWHJYHFJSURER-HNNXBMFYSA-N 1 0 333.476 1.852 20 10 EDCDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000103461772 528084161 /nfs/dbraw/zinc/08/41/61/528084161.db2.gz KWLZMAUUONWLNZ-UHFFFAOYSA-N 1 0 333.476 1.995 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000741752701 579427188 /nfs/dbraw/zinc/42/71/88/579427188.db2.gz FZOCWACBTLGILE-UHFFFAOYSA-N 1 0 325.478 1.610 20 10 EDCDRO COC(=O)CN(C)C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000741807301 579429483 /nfs/dbraw/zinc/42/94/83/579429483.db2.gz YMTGSUKNRBRPTE-UHFFFAOYSA-N 1 0 347.459 1.739 20 10 EDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000745750643 579561248 /nfs/dbraw/zinc/56/12/48/579561248.db2.gz UIARCLLEAOEIMM-NVXWUHKLSA-N 1 0 346.475 1.805 20 10 EDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000745750645 579561273 /nfs/dbraw/zinc/56/12/73/579561273.db2.gz UIARCLLEAOEIMM-WBVHZDCISA-N 1 0 346.475 1.805 20 10 EDCDRO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000747579256 579649646 /nfs/dbraw/zinc/64/96/46/579649646.db2.gz BXOXCSNDDZAZBO-OAHLLOKOSA-N 1 0 334.464 1.787 20 10 EDCDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000748482158 579689518 /nfs/dbraw/zinc/68/95/18/579689518.db2.gz QQZKWSXXHDVPOR-UHFFFAOYSA-N 1 0 327.384 1.709 20 10 EDCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1OC ZINC000753568787 579882920 /nfs/dbraw/zinc/88/29/20/579882920.db2.gz SVBWFMSRCXRQPE-LBPRGKRZSA-N 1 0 329.418 1.466 20 10 EDCDRO CC[N@H+](C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)CC1CC1 ZINC000754044584 579894600 /nfs/dbraw/zinc/89/46/00/579894600.db2.gz ZPOXBIVCNUTQEN-LJQANCHMSA-N 1 0 347.503 1.910 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)c1O ZINC000754726617 579910204 /nfs/dbraw/zinc/91/02/04/579910204.db2.gz LVQVYGPYTLQFHE-UHFFFAOYSA-N 1 0 330.432 1.761 20 10 EDCDRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000762792020 580083444 /nfs/dbraw/zinc/08/34/44/580083444.db2.gz ZELRSMLPTYKGAK-AWEZNQCLSA-N 1 0 329.238 1.619 20 10 EDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000765796075 580151533 /nfs/dbraw/zinc/15/15/33/580151533.db2.gz MMBMMZJGTXIFBO-GOEBONIOSA-N 1 0 335.423 1.667 20 10 EDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000766143477 580160216 /nfs/dbraw/zinc/16/02/16/580160216.db2.gz DMTWXXSDVCELQN-AWEZNQCLSA-N 1 0 340.489 1.733 20 10 EDCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000768445169 580213059 /nfs/dbraw/zinc/21/30/59/580213059.db2.gz GAURYVZLUMRCES-NSHDSACASA-N 1 0 329.418 1.276 20 10 EDCDRO COc1cccc(O)c1C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000769126227 580229308 /nfs/dbraw/zinc/22/93/08/580229308.db2.gz VVVICXNQVWZTEM-UHFFFAOYSA-N 1 0 328.434 1.257 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000774483887 580363295 /nfs/dbraw/zinc/36/32/95/580363295.db2.gz MJPKAVVEJOHREN-YCPHGPKFSA-N 1 0 346.475 1.516 20 10 EDCDRO C[C@H]1CS(=O)(=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775702567 580397768 /nfs/dbraw/zinc/39/77/68/580397768.db2.gz SRCMJGVERVIWAB-HNNXBMFYSA-N 1 0 337.489 1.057 20 10 EDCDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000780480895 580524198 /nfs/dbraw/zinc/52/41/98/580524198.db2.gz RVQLNUJEROZFST-WBMJQRKESA-N 1 0 336.432 1.095 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000791567308 580795642 /nfs/dbraw/zinc/79/56/42/580795642.db2.gz JJPWVWLWELRDGQ-JZXOWHBKSA-N 1 0 333.476 1.661 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000793939577 580861227 /nfs/dbraw/zinc/86/12/27/580861227.db2.gz WXWPJNGBHDGOFT-ZDUSSCGKSA-N 1 0 332.448 1.140 20 10 EDCDRO CCCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1ccccc1O ZINC000801599203 581081174 /nfs/dbraw/zinc/08/11/74/581081174.db2.gz FGYLHKZMRVYHNS-AWEZNQCLSA-N 1 0 335.448 1.587 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000892038682 590765615 /nfs/dbraw/zinc/76/56/15/590765615.db2.gz HGACOLWHEKASLE-UHFFFAOYSA-N 1 0 331.445 1.494 20 10 EDCDRO CCn1cc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1 ZINC000893330462 590783614 /nfs/dbraw/zinc/78/36/14/590783614.db2.gz YJCDJYDCMMZGBN-HNNXBMFYSA-N 1 0 342.447 1.290 20 10 EDCDRO COc1ccc(CN2CC[NH+](CCOC(C)C)CC2)c(O)c1OC ZINC000892095587 590797297 /nfs/dbraw/zinc/79/72/97/590797297.db2.gz UZLODXSNBQPCBG-UHFFFAOYSA-N 1 0 338.448 1.952 20 10 EDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893557929 590959094 /nfs/dbraw/zinc/95/90/94/590959094.db2.gz IUQOATKWBISYPD-INIZCTEOSA-N 1 0 327.377 1.467 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C=O)n(C)c2)[NH+](C)C)cc1 ZINC000891243947 591014107 /nfs/dbraw/zinc/01/41/07/591014107.db2.gz WWRLRTSPNXHAPO-GOSISDBHSA-N 1 0 342.443 1.936 20 10 EDCDRO Cc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(N)n1 ZINC000891246827 591015656 /nfs/dbraw/zinc/01/56/56/591015656.db2.gz PYKNPXOTCHWYRA-INIZCTEOSA-N 1 0 342.447 1.466 20 10 EDCDRO CCn1nncc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246965 591016657 /nfs/dbraw/zinc/01/66/57/591016657.db2.gz FWCKHSMPQBUWPB-HNNXBMFYSA-N 1 0 330.436 1.397 20 10 EDCDRO Cc1ccnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891248346 591017169 /nfs/dbraw/zinc/01/71/69/591017169.db2.gz KWFSYIWTFWJNFI-MRXNPFEDSA-N 1 0 327.432 1.884 20 10 EDCDRO CCN1CCOC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249344 591017707 /nfs/dbraw/zinc/01/77/07/591017707.db2.gz REYHDLPDGKKYRF-ROUUACIJSA-N 1 0 348.491 1.192 20 10 EDCDRO CC[C@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCNC1=O ZINC000891248205 591017715 /nfs/dbraw/zinc/01/77/15/591017715.db2.gz WWYDTEZOUKRLET-LPHOPBHVSA-N 1 0 346.475 1.388 20 10 EDCDRO CSCC[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249370 591017820 /nfs/dbraw/zinc/01/78/20/591017820.db2.gz RSVOWVLENPXPAJ-HZPDHXFCSA-N 1 0 339.505 1.586 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CN2CCCC2=O)[NH+](C)C)cc1 ZINC000891256551 591022560 /nfs/dbraw/zinc/02/25/60/591022560.db2.gz ZOQZRQYOHCQJFT-MRXNPFEDSA-N 1 0 332.448 1.094 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(=O)n(C)c2)[NH+](C)C)cc1 ZINC000891255778 591022917 /nfs/dbraw/zinc/02/29/17/591022917.db2.gz RWMFHQUMMNQPJP-QGZVFWFLSA-N 1 0 342.443 1.484 20 10 EDCDRO C[C@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000894286653 591266916 /nfs/dbraw/zinc/26/69/16/591266916.db2.gz PNINMKDXBQWTCC-INIZCTEOSA-N 1 0 347.507 1.702 20 10 EDCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000895815194 591279650 /nfs/dbraw/zinc/27/96/50/591279650.db2.gz XVHYEYYICXTNTH-GOSISDBHSA-N 1 0 331.460 1.903 20 10 EDCDRO CN(C)c1ccc([C@H](C[NH2+]C2CC(S(C)(=O)=O)C2)N(C)C)cc1 ZINC000898448770 591352976 /nfs/dbraw/zinc/35/29/76/591352976.db2.gz WXRKBYCGHVYECM-PREGVCBESA-N 1 0 339.505 1.521 20 10 EDCDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1c(F)ccc(O)c1O ZINC000898634927 591450276 /nfs/dbraw/zinc/45/02/76/591450276.db2.gz PEEAHQAJRLVTKP-UHFFFAOYSA-N 1 0 338.379 1.610 20 10 EDCDRO CO[C@H]1CC[C@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896444119 591468430 /nfs/dbraw/zinc/46/84/30/591468430.db2.gz FZQKVODKUFXHIU-MSOLQXFVSA-N 1 0 346.475 1.757 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCC[C@H](O)C2CC2)[NH+](C)C)cc1 ZINC000899095432 591677452 /nfs/dbraw/zinc/67/74/52/591677452.db2.gz KJVMUZHQRDGHMZ-ROUUACIJSA-N 1 0 348.491 1.816 20 10 EDCDRO C[C@@H]1[C@H](O)CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097732 591678233 /nfs/dbraw/zinc/67/82/33/591678233.db2.gz GBKAYPAWMQIGRJ-ZTFGCOKTSA-N 1 0 348.491 1.910 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1O ZINC000897045498 591720444 /nfs/dbraw/zinc/72/04/44/591720444.db2.gz HQAVBKCAQZDBIN-CQSZACIVSA-N 1 0 334.416 1.172 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1 ZINC000898275483 591849699 /nfs/dbraw/zinc/84/96/99/591849699.db2.gz UQTZAULGQLOPKJ-KRWDZBQOSA-N 1 0 347.459 1.311 20 10 EDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000898349247 591881922 /nfs/dbraw/zinc/88/19/22/591881922.db2.gz XYCOXKSIFOVSLK-KBPBESRZSA-N 1 0 338.404 1.248 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911396615 592911933 /nfs/dbraw/zinc/91/19/33/592911933.db2.gz XLVJKBJCRCKKSL-HUUCEWRRSA-N 1 0 347.459 1.493 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911123794 592929417 /nfs/dbraw/zinc/92/94/17/592929417.db2.gz KBLLEKVJIPPNTB-HNAYVOBHSA-N 1 0 344.459 1.017 20 10 EDCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1)C(N)=O ZINC000840109461 593190545 /nfs/dbraw/zinc/19/05/45/593190545.db2.gz OVECOOZPBYXKRL-WBMJQRKESA-N 1 0 348.443 1.932 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1C ZINC000839165849 593269803 /nfs/dbraw/zinc/26/98/03/593269803.db2.gz RSVQBWMLSZPGME-UHFFFAOYSA-N 1 0 334.460 1.980 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000839195436 593275348 /nfs/dbraw/zinc/27/53/48/593275348.db2.gz JFRIGEPTRHXGBJ-SECBINFHSA-N 1 0 343.221 1.779 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000839547170 593338201 /nfs/dbraw/zinc/33/82/01/593338201.db2.gz DNDHZKONXWBRGS-SFHVURJKSA-N 1 0 333.476 1.900 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1 ZINC000839609305 593356616 /nfs/dbraw/zinc/35/66/16/593356616.db2.gz JFIMRKGCZKTMCZ-GOSISDBHSA-N 1 0 333.476 1.756 20 10 EDCDRO C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000817930900 593649669 /nfs/dbraw/zinc/64/96/69/593649669.db2.gz PJLATKNCNRXNHE-UHFFFAOYSA-N 1 0 348.491 1.558 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000817975186 593653158 /nfs/dbraw/zinc/65/31/58/593653158.db2.gz RMLPRCZEVJDEMA-IYBDPMFKSA-N 1 0 345.443 1.199 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000818655840 593710583 /nfs/dbraw/zinc/71/05/83/593710583.db2.gz NWOVPLAAHKGHKL-CVEARBPZSA-N 1 0 346.475 1.963 20 10 EDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)Cn1cccn1 ZINC000818964029 593730710 /nfs/dbraw/zinc/73/07/10/593730710.db2.gz IIRWKVUFQOKGEC-QGZVFWFLSA-N 1 0 332.473 1.587 20 10 EDCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968157 593730995 /nfs/dbraw/zinc/73/09/95/593730995.db2.gz MBXGWJPEBPMLCJ-SJLPKXTDSA-N 1 0 349.475 1.265 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCCCF)CC2)cc1 ZINC000819325457 593750819 /nfs/dbraw/zinc/75/08/19/593750819.db2.gz DFAYKIKNXXQBRV-KRWDZBQOSA-N 1 0 339.455 1.517 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC[C@@H](C)F)CC2)cc1 ZINC000819334152 593750966 /nfs/dbraw/zinc/75/09/66/593750966.db2.gz VTSMQSMBDDFUFQ-WBVHZDCISA-N 1 0 339.455 1.516 20 10 EDCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccccc2O)CC1 ZINC000824608727 594046926 /nfs/dbraw/zinc/04/69/26/594046926.db2.gz ODFNKRYPPSMZRV-JOCHJYFZSA-N 1 0 325.430 1.668 20 10 EDCDRO C[N@H+](CCN1CCOCC1)Cc1ccc(Br)cc1O ZINC000824693332 594057533 /nfs/dbraw/zinc/05/75/33/594057533.db2.gz FKWJHBMASAGKBX-UHFFFAOYSA-N 1 0 329.238 1.919 20 10 EDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000825531470 594197960 /nfs/dbraw/zinc/19/79/60/594197960.db2.gz WYZQUKYLHZISLP-AWEZNQCLSA-N 1 0 344.205 1.967 20 10 EDCDRO O=S1(=O)CC(CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825650904 594210858 /nfs/dbraw/zinc/21/08/58/594210858.db2.gz AQOUTUXUXJGAGK-UHFFFAOYSA-N 1 0 334.235 1.679 20 10 EDCDRO COC[C@@]1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC[NH2+]C1 ZINC000827726174 594265929 /nfs/dbraw/zinc/26/59/29/594265929.db2.gz UAWUFDHNIWRKND-DNVCBOLYSA-N 1 0 347.459 1.327 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)cc1F ZINC000828031933 594326381 /nfs/dbraw/zinc/32/63/81/594326381.db2.gz RFOVMTBMUNRHKR-AWEZNQCLSA-N 1 0 335.423 1.873 20 10 EDCDRO COCCNC(=O)C1([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000826122039 594337517 /nfs/dbraw/zinc/33/75/17/594337517.db2.gz XFUOLZWWGOMTDS-UHFFFAOYSA-N 1 0 343.221 1.540 20 10 EDCDRO O=C(CCOC1C[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003501 594546706 /nfs/dbraw/zinc/54/67/06/594546706.db2.gz OSXLQZOLFYIJTL-HNNXBMFYSA-N 1 0 334.416 1.278 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000831114505 594559764 /nfs/dbraw/zinc/55/97/64/594559764.db2.gz WEYDVXAJSFJVNX-KSSFIOAISA-N 1 0 332.448 1.573 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C[NH2+]CC3CC3)cc2)C1 ZINC000827469250 594674979 /nfs/dbraw/zinc/67/49/79/594674979.db2.gz RJKFTZVLKJYPQI-MRXNPFEDSA-N 1 0 344.459 1.004 20 10 EDCDRO C[C@H]([NH3+])CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469503 594675179 /nfs/dbraw/zinc/67/51/79/594675179.db2.gz ZQYLSENHRMIWKT-ZFWWWQNUSA-N 1 0 332.448 1.132 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnn3c2CCCC3)cc1 ZINC000832267403 594739046 /nfs/dbraw/zinc/73/90/46/594739046.db2.gz RPCNDFQLSQZNTF-INIZCTEOSA-N 1 0 327.432 1.715 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CCC(=O)N2CCN(C)CC2)c(Cl)c1 ZINC000840888576 594823599 /nfs/dbraw/zinc/82/35/99/594823599.db2.gz AZJGSKHLPZSZQF-UHFFFAOYSA-N 1 0 325.840 1.608 20 10 EDCDRO CCOc1cccc(C[NH+]2CCN(C(COC)COC)CC2)c1O ZINC000840954542 594832193 /nfs/dbraw/zinc/83/21/93/594832193.db2.gz KLXCLDDJALHPFW-UHFFFAOYSA-N 1 0 338.448 1.570 20 10 EDCDRO COc1cc(O)c(C[N@H+](C)C(C)(C)CN2CCOCC2)cc1OC ZINC000840978699 594834844 /nfs/dbraw/zinc/83/48/44/594834844.db2.gz VBSVTLFIOWDILH-UHFFFAOYSA-N 1 0 338.448 1.952 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000841652853 594931465 /nfs/dbraw/zinc/93/14/65/594931465.db2.gz GNCGGDLRJYIPCO-INIZCTEOSA-N 1 0 346.475 1.650 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000836222714 594940046 /nfs/dbraw/zinc/94/00/46/594940046.db2.gz FQDWKFOSPWLGNU-QGZVFWFLSA-N 1 0 334.464 1.399 20 10 EDCDRO [NH3+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707373 594940851 /nfs/dbraw/zinc/94/08/51/594940851.db2.gz SJXFRTGQTJESQN-OAHLLOKOSA-N 1 0 334.489 1.873 20 10 EDCDRO C[NH2+]CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000841718427 594942679 /nfs/dbraw/zinc/94/26/79/594942679.db2.gz RLSRYZLUYRKHNG-CHWSQXEVSA-N 1 0 338.427 1.458 20 10 EDCDRO CN(CC[NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843083 594962926 /nfs/dbraw/zinc/96/29/26/594962926.db2.gz CGQSSHNRNKTKFI-GFCCVEGCSA-N 1 0 342.390 1.857 20 10 EDCDRO CC[NH2+]CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915390 594980808 /nfs/dbraw/zinc/98/08/08/594980808.db2.gz PCLJRMNELDEDRA-UHFFFAOYSA-N 1 0 342.390 1.210 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000841916237 594981260 /nfs/dbraw/zinc/98/12/60/594981260.db2.gz QHEPUWLTZBAUBJ-UHFFFAOYSA-N 1 0 332.448 1.669 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000841975427 594993489 /nfs/dbraw/zinc/99/34/89/594993489.db2.gz FVTPQRDIXIHKBQ-CRAIPNDOSA-N 1 0 346.475 1.915 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000841984742 594995427 /nfs/dbraw/zinc/99/54/27/594995427.db2.gz HBBYFDRZUBGAQQ-SECBINFHSA-N 1 0 330.226 1.952 20 10 EDCDRO O=C(NCc1ccccc1O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841991353 594997016 /nfs/dbraw/zinc/99/70/16/594997016.db2.gz BGGYRJFBOQOKEW-CYBMUJFWSA-N 1 0 346.353 1.028 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000842036934 595006770 /nfs/dbraw/zinc/00/67/70/595006770.db2.gz SUASNFGJPCNEOD-ZBFHGGJFSA-N 1 0 332.448 1.003 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000842208164 595039209 /nfs/dbraw/zinc/03/92/09/595039209.db2.gz SFJWLNAYOOKLIS-OAHLLOKOSA-N 1 0 332.448 1.017 20 10 EDCDRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842213234 595041096 /nfs/dbraw/zinc/04/10/96/595041096.db2.gz CTSQWFXXYOLEIF-CQSZACIVSA-N 1 0 332.448 1.003 20 10 EDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000842212675 595041121 /nfs/dbraw/zinc/04/11/21/595041121.db2.gz ILLPPJJALZBIMV-INIZCTEOSA-N 1 0 344.459 1.019 20 10 EDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842250042 595055286 /nfs/dbraw/zinc/05/52/86/595055286.db2.gz RSZQJEVNAIQIME-HNNXBMFYSA-N 1 0 334.464 1.201 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000842266557 595060163 /nfs/dbraw/zinc/06/01/63/595060163.db2.gz CGMDJYPOHADMHT-UHFFFAOYSA-N 1 0 346.475 1.489 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000842272012 595062417 /nfs/dbraw/zinc/06/24/17/595062417.db2.gz OUBNJESGLJYAEY-OAHLLOKOSA-N 1 0 348.491 1.605 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000843417550 595105750 /nfs/dbraw/zinc/10/57/50/595105750.db2.gz HWKHPSLWQFCPIG-AWEZNQCLSA-N 1 0 349.408 1.725 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(F)CC3)CC2)cc1 ZINC000843519670 595139793 /nfs/dbraw/zinc/13/97/93/595139793.db2.gz BJTPXUKXWAZDKP-UHFFFAOYSA-N 1 0 335.423 1.826 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000846173864 595164847 /nfs/dbraw/zinc/16/48/47/595164847.db2.gz UQDFRYSBYQGHGA-YOEHRIQHSA-N 1 0 334.464 1.771 20 10 EDCDRO CO[C@H](CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000842785000 595197488 /nfs/dbraw/zinc/19/74/88/595197488.db2.gz JWRXGEUHGJQUDJ-JKSUJKDBSA-N 1 0 341.477 1.097 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)cc1F ZINC000848413721 595375154 /nfs/dbraw/zinc/37/51/54/595375154.db2.gz CNMTZLUONVUOCR-DNVCBOLYSA-N 1 0 347.434 1.873 20 10 EDCDRO [NH3+]C[C@@H](NC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000848598350 595414870 /nfs/dbraw/zinc/41/48/70/595414870.db2.gz YNZKBWBAMJWXSQ-SSDOTTSWSA-N 1 0 328.385 1.814 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000852775321 595537576 /nfs/dbraw/zinc/53/75/76/595537576.db2.gz RAMNIBFOLNBRTE-UHFFFAOYSA-N 1 0 328.420 1.199 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c(C3CC3)cnn2C)cc1 ZINC000852792346 595544964 /nfs/dbraw/zinc/54/49/64/595544964.db2.gz WBYFQKBFXIQUCM-INIZCTEOSA-N 1 0 327.432 1.793 20 10 EDCDRO O=C(NCCCSc1nccs1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852805793 595550453 /nfs/dbraw/zinc/55/04/53/595550453.db2.gz MMPIZTZTZQVPEP-SNVBAGLBSA-N 1 0 337.474 1.855 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000852857540 595579142 /nfs/dbraw/zinc/57/91/42/595579142.db2.gz WTKZTLZUTYNZDU-KRWDZBQOSA-N 1 0 331.460 1.870 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000852869010 595588391 /nfs/dbraw/zinc/58/83/91/595588391.db2.gz SSWCPPPRHURGDE-AZUAARDMSA-N 1 0 343.471 1.654 20 10 EDCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2COCCN2C)c1O ZINC000858275851 595749759 /nfs/dbraw/zinc/74/97/59/595749759.db2.gz GCKKGVLTVOYNKE-LBPRGKRZSA-N 1 0 345.237 1.584 20 10 EDCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000858490200 595808947 /nfs/dbraw/zinc/80/89/47/595808947.db2.gz VNGHISWVJGCGGA-KBPBESRZSA-N 1 0 336.399 1.686 20 10 EDCDRO COC[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)OC ZINC000850345606 595814231 /nfs/dbraw/zinc/81/42/31/595814231.db2.gz FYCFPPJTVXXJHP-OAHLLOKOSA-N 1 0 326.412 1.803 20 10 EDCDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853593186 595820355 /nfs/dbraw/zinc/82/03/55/595820355.db2.gz KKYJIGUNOYECRU-LRDDRELGSA-N 1 0 332.400 1.262 20 10 EDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000850424675 595831906 /nfs/dbraw/zinc/83/19/06/595831906.db2.gz GOZGEZIBSLWNMU-ZBFHGGJFSA-N 1 0 342.447 1.158 20 10 EDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000851664169 595874322 /nfs/dbraw/zinc/87/43/22/595874322.db2.gz SRHKZXOKXPAYKQ-GDBMZVCRSA-N 1 0 346.475 1.587 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C[NH3+])CC(C)C)C2)cc1 ZINC000851664579 595874789 /nfs/dbraw/zinc/87/47/89/595874789.db2.gz FWLLBEJFAFLAQL-LSDHHAIUSA-N 1 0 334.464 1.947 20 10 EDCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000851690696 595886543 /nfs/dbraw/zinc/88/65/43/595886543.db2.gz ANYGFRNUXPPCCA-CQSZACIVSA-N 1 0 334.464 1.214 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](O)(C(N)=O)c2ccccc2)c1 ZINC000851903677 595969291 /nfs/dbraw/zinc/96/92/91/595969291.db2.gz YUQGJJGIIAVABD-KZULUSFZSA-N 1 0 330.384 1.425 20 10 EDCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000852003747 596003836 /nfs/dbraw/zinc/00/38/36/596003836.db2.gz AUTFMBIXEGOAQJ-KRWDZBQOSA-N 1 0 346.475 1.807 20 10 EDCDRO CCC[N@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)Cc1ccccc1O ZINC000856726943 596062100 /nfs/dbraw/zinc/06/21/00/596062100.db2.gz HCXVBPKILWMYPT-UHFFFAOYSA-N 1 0 328.376 1.118 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000861690803 596070115 /nfs/dbraw/zinc/07/01/15/596070115.db2.gz ULSIZVQTMIGXEO-CABCVRRESA-N 1 0 334.464 1.913 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861803841 596108157 /nfs/dbraw/zinc/10/81/57/596108157.db2.gz GKAGCVSNTIMKLM-HIFRSBDPSA-N 1 0 333.432 1.388 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3CSC3)CC2)cc1 ZINC000864617196 596285042 /nfs/dbraw/zinc/28/50/42/596285042.db2.gz OGYBOTMAZSQEQO-UHFFFAOYSA-N 1 0 349.500 1.687 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866716827 596307926 /nfs/dbraw/zinc/30/79/26/596307926.db2.gz RXQOFEDVXSFORH-AEFFLSMTSA-N 1 0 330.476 1.443 20 10 EDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000862535980 596341864 /nfs/dbraw/zinc/34/18/64/596341864.db2.gz BKFSKJIZHVZXFV-SFHVURJKSA-N 1 0 343.427 1.786 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3noc(C)n3)cc2F)CC1 ZINC000123472470 596455255 /nfs/dbraw/zinc/45/52/55/596455255.db2.gz ZGUDRZLTHKNTLG-UHFFFAOYSA-N 1 0 347.394 1.589 20 10 EDCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](CC(N)=O)C3)c2c1 ZINC000863325001 596551307 /nfs/dbraw/zinc/55/13/07/596551307.db2.gz PRHIDWDEMYVPMQ-CQSZACIVSA-N 1 0 330.384 1.630 20 10 EDCDRO C[C@H](NCC1([NH3+])CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863540083 596612969 /nfs/dbraw/zinc/61/29/69/596612969.db2.gz ADOVRNLAWZQZFP-AWEZNQCLSA-N 1 0 337.439 1.821 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000868401009 596822205 /nfs/dbraw/zinc/82/22/05/596822205.db2.gz NRQSXONUDBLUJS-ZBFHGGJFSA-N 1 0 346.475 1.439 20 10 EDCDRO COc1cnn(C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000876501782 597223107 /nfs/dbraw/zinc/22/31/07/597223107.db2.gz QYAGCRUGPIQVIT-MRXNPFEDSA-N 1 0 346.431 1.083 20 10 EDCDRO C[C@@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)C[NH2+]CCO1 ZINC000876730545 597310786 /nfs/dbraw/zinc/31/07/86/597310786.db2.gz JWVOQBWNZSJZGD-KRWDZBQOSA-N 1 0 335.473 1.235 20 10 EDCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000877146180 597442627 /nfs/dbraw/zinc/44/26/27/597442627.db2.gz PPDAPUASNHDBGT-SJLPKXTDSA-N 1 0 331.460 1.903 20 10 EDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)nn1 ZINC000877363768 597501905 /nfs/dbraw/zinc/50/19/05/597501905.db2.gz HPPDHIXGIRZEIY-CQSZACIVSA-N 1 0 330.388 1.916 20 10 EDCDRO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877543725 597533069 /nfs/dbraw/zinc/53/30/69/597533069.db2.gz FWOKJUYWKUGIPK-GOSISDBHSA-N 1 0 334.460 1.885 20 10 EDCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]2CCCCN12 ZINC000877579219 597537910 /nfs/dbraw/zinc/53/79/10/597537910.db2.gz OSTDTPYCYQHRAB-IEBWSBKVSA-N 1 0 343.471 1.891 20 10 EDCDRO COC(=O)N(C)CC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877631150 597542958 /nfs/dbraw/zinc/54/29/58/597542958.db2.gz GIYVIZSQOYSZCT-UHFFFAOYSA-N 1 0 335.448 1.778 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c1 ZINC000877794622 597558274 /nfs/dbraw/zinc/55/82/74/597558274.db2.gz XKLRWWNKKXRDAJ-KBPBESRZSA-N 1 0 325.430 1.657 20 10 EDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCc2ncnn21 ZINC000877923612 597564266 /nfs/dbraw/zinc/56/42/66/597564266.db2.gz SGGUPNYHJOXSGO-KRWDZBQOSA-N 1 0 327.432 1.734 20 10 EDCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CCc2ncnn21 ZINC000878728669 597691629 /nfs/dbraw/zinc/69/16/29/597691629.db2.gz RFIAKLQOQFYJSG-AWEZNQCLSA-N 1 0 330.388 1.536 20 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COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000186892666 707307821 /nfs/dbraw/zinc/30/78/21/707307821.db2.gz WUQJWOYLVBPXDA-YJBOKZPZSA-N 1 0 347.459 1.047 20 10 EDCDRO COc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000373399080 250238177 /nfs/dbraw/zinc/23/81/77/250238177.db2.gz JOWUXEIFADMZNG-DZGCQCFKSA-N 1 0 335.404 1.063 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419704553 447360227 /nfs/dbraw/zinc/36/02/27/447360227.db2.gz GSDLZYJFMJJTPB-GXTWGEPZSA-N 1 0 342.443 1.360 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419704373 447360771 /nfs/dbraw/zinc/36/07/71/447360771.db2.gz GGWSJCNWRZRZBM-CQSZACIVSA-N 1 0 342.443 1.361 20 10 EDCDRO CCC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000068973600 441875803 /nfs/dbraw/zinc/87/58/03/441875803.db2.gz HMIWRKWBVFZJCF-UHFFFAOYSA-N 1 0 348.443 1.970 20 10 EDCDRO COc1cncc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000093477283 441888896 /nfs/dbraw/zinc/88/88/96/441888896.db2.gz RTRCQIXCZBUTCN-UHFFFAOYSA-N 1 0 327.432 1.873 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](CCO)C(C)C)CC2)cc1 ZINC000078687190 441963082 /nfs/dbraw/zinc/96/30/82/441963082.db2.gz FXOSPLYEHZMHFQ-UHFFFAOYSA-N 1 0 335.448 1.047 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000125359432 442014608 /nfs/dbraw/zinc/01/46/08/442014608.db2.gz CMULZMDZBQXIJK-AWEZNQCLSA-N 1 0 335.473 1.915 20 10 EDCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000164824527 442204006 /nfs/dbraw/zinc/20/40/06/442204006.db2.gz FWNUKISVGGZYGV-LBPRGKRZSA-N 1 0 330.425 1.358 20 10 EDCDRO CCC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccccc1O ZINC000154156937 442324292 /nfs/dbraw/zinc/32/42/92/442324292.db2.gz OHOXDVMACUHRFG-UHFFFAOYSA-N 1 0 332.404 1.611 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000172037864 442402589 /nfs/dbraw/zinc/40/25/89/442402589.db2.gz JHXGFEBDONKHJY-MCPYQZEQSA-N 1 0 331.460 1.462 20 10 EDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179135553 442580583 /nfs/dbraw/zinc/58/05/83/442580583.db2.gz GDNLPMNNXVPWOX-KRWDZBQOSA-N 1 0 347.459 1.739 20 10 EDCDRO CN1CCCc2cc(CNC(=O)NCC3(O)CC[NH+](C)CC3)ccc21 ZINC000265938230 442976223 /nfs/dbraw/zinc/97/62/23/442976223.db2.gz KPJYWBJOUNBLEV-UHFFFAOYSA-N 1 0 346.475 1.325 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264700866 443381078 /nfs/dbraw/zinc/38/10/78/443381078.db2.gz ALIRYDYYZPPFLD-INIZCTEOSA-N 1 0 334.464 1.560 20 10 EDCDRO COc1c([O-])c(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278524445 443352861 /nfs/dbraw/zinc/35/28/61/443352861.db2.gz SUCUGCSUJPGVGM-UHFFFAOYSA-N 1 0 338.408 1.036 20 10 EDCDRO C[C@@H]1C[N@H+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)CCCO1 ZINC000278664464 443395124 /nfs/dbraw/zinc/39/51/24/443395124.db2.gz TUTABUXOLVYHQR-HZRUHFOJSA-N 1 0 334.416 1.728 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)C[C@@H](O)C(C)C)CC2)cc1 ZINC000269688584 443396722 /nfs/dbraw/zinc/39/67/22/443396722.db2.gz NDNONRGJTDSZLC-GOSISDBHSA-N 1 0 349.475 1.340 20 10 EDCDRO COc1c(O)c(C[NH2+]CC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278946031 443474489 /nfs/dbraw/zinc/47/44/89/443474489.db2.gz YRMKXFHALCMVEO-UHFFFAOYSA-N 1 0 337.254 1.077 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(C)COC3)cc2F)CC1 ZINC000272909763 443486626 /nfs/dbraw/zinc/48/66/26/443486626.db2.gz NTUJGMFJSJVPQR-UHFFFAOYSA-N 1 0 335.423 1.620 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCOCC3)[C@H]1O)OCO2 ZINC000282843846 443448556 /nfs/dbraw/zinc/44/85/56/443448556.db2.gz OZDUOVJQHWXDRV-SJCJKPOMSA-N 1 0 335.400 1.778 20 10 EDCDRO COCC(C)(C)[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000292392887 443793387 /nfs/dbraw/zinc/79/33/87/443793387.db2.gz SNCMBWZXENLVMO-UHFFFAOYSA-N 1 0 349.475 1.701 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000283996351 443760428 /nfs/dbraw/zinc/76/04/28/443760428.db2.gz JRQJMBIXXSVGRO-KRWDZBQOSA-N 1 0 346.475 1.312 20 10 EDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000285437178 443983683 /nfs/dbraw/zinc/98/36/83/443983683.db2.gz YXBDRLLNOPBMCM-KGLIPLIRSA-N 1 0 326.462 1.941 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1F ZINC000293553839 444052815 /nfs/dbraw/zinc/05/28/15/444052815.db2.gz FFIUUSZWANJXIP-HNNXBMFYSA-N 1 0 333.411 1.813 20 10 EDCDRO CCOCC[C@H](O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000277590710 444011567 /nfs/dbraw/zinc/01/15/67/444011567.db2.gz DFTJPUNMFLRQMK-HNNXBMFYSA-N 1 0 326.412 1.744 20 10 EDCDRO COCCOC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000294746286 444140242 /nfs/dbraw/zinc/14/02/42/444140242.db2.gz HSUBAHVWTANIJE-UHFFFAOYSA-N 1 0 339.388 1.423 20 10 EDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000289511053 444162114 /nfs/dbraw/zinc/16/21/14/444162114.db2.gz GTOPOFWPSHRTGT-HIFRSBDPSA-N 1 0 326.462 1.898 20 10 EDCDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000295009975 444163474 /nfs/dbraw/zinc/16/34/74/444163474.db2.gz JJEQZBNZPDAGPY-KRWDZBQOSA-N 1 0 339.388 1.421 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](O)[C@@H]3C)CC2)cc1 ZINC000296326560 444220860 /nfs/dbraw/zinc/22/08/60/444220860.db2.gz QMADNGQZSHVHIC-YJBOKZPZSA-N 1 0 347.459 1.189 20 10 EDCDRO COC1CCN(c2ccc(CN3CC[NH+](C[C@H](C)O)CC3)cc2)CC1 ZINC000295818639 444193199 /nfs/dbraw/zinc/19/31/99/444193199.db2.gz UYNUPBBSSQGNHL-KRWDZBQOSA-N 1 0 347.503 1.800 20 10 EDCDRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CC(=O)N2C)cnn1C ZINC000328645365 444412316 /nfs/dbraw/zinc/41/23/16/444412316.db2.gz ZPNCAYNKBHWILR-APWZRJJASA-N 1 0 340.427 1.725 20 10 EDCDRO c1ncn(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000359976474 445511389 /nfs/dbraw/zinc/51/13/89/445511389.db2.gz HPSPNLBKPRCDOA-SFHVURJKSA-N 1 0 327.432 1.779 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1F ZINC000364215861 445901142 /nfs/dbraw/zinc/90/11/42/445901142.db2.gz RDRAALURZYNLDQ-KSSFIOAISA-N 1 0 333.407 1.483 20 10 EDCDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000366158307 446048838 /nfs/dbraw/zinc/04/88/38/446048838.db2.gz OBFRHESUBKPTMV-CQSZACIVSA-N 1 0 333.432 1.197 20 10 EDCDRO COc1cccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000369856513 446161314 /nfs/dbraw/zinc/16/13/14/446161314.db2.gz CGMJCBJKOIEXCY-KGLIPLIRSA-N 1 0 335.404 1.063 20 10 EDCDRO O=C1CCCN1CC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000369771302 446154316 /nfs/dbraw/zinc/15/43/16/446154316.db2.gz VCHIORSJKAFRJU-UHFFFAOYSA-N 1 0 332.400 1.955 20 10 EDCDRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N(C)C)cc1 ZINC000366475928 446229882 /nfs/dbraw/zinc/22/98/82/446229882.db2.gz NPLAXCGEQVNMSE-KBPBESRZSA-N 1 0 341.459 1.961 20 10 EDCDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)c(O)c1 ZINC000366549191 446257672 /nfs/dbraw/zinc/25/76/72/446257672.db2.gz VNHCTSLSCHUTRN-MRXNPFEDSA-N 1 0 334.416 1.660 20 10 EDCDRO Cc1ccc(O)c(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000367954231 446615240 /nfs/dbraw/zinc/61/52/40/446615240.db2.gz AMSLZAKGIHGSBM-UHFFFAOYSA-N 1 0 327.450 1.015 20 10 EDCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)[C@H](C)C1 ZINC000376990481 446845172 /nfs/dbraw/zinc/84/51/72/446845172.db2.gz AUAXVQPQULDOPG-HUUCEWRRSA-N 1 0 346.475 1.275 20 10 EDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)nn1 ZINC000372039524 446985293 /nfs/dbraw/zinc/98/52/93/446985293.db2.gz TYUZRASVBZFZMV-MRXNPFEDSA-N 1 0 343.431 1.968 20 10 EDCDRO CC[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000108781542 527812283 /nfs/dbraw/zinc/81/22/83/527812283.db2.gz ZHNZPHURDNWIOD-KRZKXXONSA-N 1 0 343.471 1.994 20 10 EDCDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(C)ccc2O)C1 ZINC000092964739 527829823 /nfs/dbraw/zinc/82/98/23/527829823.db2.gz LVKXUXSLZRBCFY-OAHLLOKOSA-N 1 0 348.443 1.934 20 10 EDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000730280449 578639022 /nfs/dbraw/zinc/63/90/22/578639022.db2.gz ULLRQCDGWYDTPI-MRXNPFEDSA-N 1 0 346.475 1.346 20 10 EDCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000732241548 578699916 /nfs/dbraw/zinc/69/99/16/578699916.db2.gz MEGDONDZSPRZDF-SFHVURJKSA-N 1 0 345.491 1.332 20 10 EDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=CC(=O)CS1 ZINC000732283069 578702565 /nfs/dbraw/zinc/70/25/65/578702565.db2.gz WHZREEIRHLFDEZ-LBPRGKRZSA-N 1 0 325.434 1.126 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000748561938 579692874 /nfs/dbraw/zinc/69/28/74/579692874.db2.gz UVQNONYWTHYMPR-NVXWUHKLSA-N 1 0 344.459 1.099 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CN(C)C[C@@H]3C)CC2)cc1 ZINC000756103296 579943569 /nfs/dbraw/zinc/94/35/69/579943569.db2.gz BHRDLRHOYWPAPT-PXNSSMCTSA-N 1 0 346.519 1.747 20 10 EDCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768446558 580213219 /nfs/dbraw/zinc/21/32/19/580213219.db2.gz YUMAPXAHGULKSX-BLLLJJGKSA-N 1 0 334.416 1.556 20 10 EDCDRO COC(=O)CCC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768462705 580213788 /nfs/dbraw/zinc/21/37/88/580213788.db2.gz CBVDRGWUJJNARF-INIZCTEOSA-N 1 0 335.400 1.983 20 10 EDCDRO CNC(=O)CCOC1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000768462567 580213821 /nfs/dbraw/zinc/21/38/21/580213821.db2.gz AHJHCZHUHPFNJR-UHFFFAOYSA-N 1 0 336.432 1.826 20 10 EDCDRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000772959735 580324226 /nfs/dbraw/zinc/32/42/26/580324226.db2.gz CVQYVZRRBHIKJJ-AWEZNQCLSA-N 1 0 325.478 1.829 20 10 EDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773315275 580333788 /nfs/dbraw/zinc/33/37/88/580333788.db2.gz PIPVCVFGQDUFSW-GOEBONIOSA-N 1 0 334.464 1.834 20 10 EDCDRO CCN(C)c1ccc(C[N@H+](C)CCN2CCCS2(=O)=O)cc1 ZINC000773753310 580345409 /nfs/dbraw/zinc/34/54/09/580345409.db2.gz GACJQZCUBNURJI-UHFFFAOYSA-N 1 0 325.478 1.610 20 10 EDCDRO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774436199 580362097 /nfs/dbraw/zinc/36/20/97/580362097.db2.gz NRRMOFJMMAQINX-AWEZNQCLSA-N 1 0 334.464 1.388 20 10 EDCDRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000775256011 580386952 /nfs/dbraw/zinc/38/69/52/580386952.db2.gz SVTQTNLPXCVHCS-CQSZACIVSA-N 1 0 346.431 1.116 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000775372462 580389491 /nfs/dbraw/zinc/38/94/91/580389491.db2.gz BQSKRRLCZBYRRB-YNEHKIRRSA-N 1 0 349.431 1.164 20 10 EDCDRO CN(CC(=O)N1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644871 580396028 /nfs/dbraw/zinc/39/60/28/580396028.db2.gz SQKKPCZHONHQHB-UHFFFAOYSA-N 1 0 330.476 1.493 20 10 EDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000776485984 580418356 /nfs/dbraw/zinc/41/83/56/580418356.db2.gz BYFIMFWOHRKGCA-IAGOWNOFSA-N 1 0 335.448 1.152 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](O)C(C)(C)C1)cc2=O ZINC000782577360 580578226 /nfs/dbraw/zinc/57/82/26/580578226.db2.gz BARLKVHESJSPBL-CYBMUJFWSA-N 1 0 348.403 1.204 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCOC3)CC1)[C@@H](O)CO2 ZINC000784001989 580611500 /nfs/dbraw/zinc/61/15/00/580611500.db2.gz RRNNLCNXDRBBLJ-UGSOOPFHSA-N 1 0 349.427 1.836 20 10 EDCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000788534652 580723920 /nfs/dbraw/zinc/72/39/20/580723920.db2.gz HRJBWNNAVVSARQ-AEFFLSMTSA-N 1 0 338.423 1.946 20 10 EDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000792950068 580831704 /nfs/dbraw/zinc/83/17/04/580831704.db2.gz GRVOEQGOCNPKEZ-CQSZACIVSA-N 1 0 337.420 1.311 20 10 EDCDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc(C)cc(C)c1O ZINC000799145213 581018825 /nfs/dbraw/zinc/01/88/25/581018825.db2.gz NPIXAYFPSKLWJC-UHFFFAOYSA-N 1 0 349.475 1.231 20 10 EDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)c(OC)c1 ZINC000892307049 590928346 /nfs/dbraw/zinc/92/83/46/590928346.db2.gz RNSLBDCVWGQGTH-DZGCQCFKSA-N 1 0 348.447 1.286 20 10 EDCDRO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891242422 591013345 /nfs/dbraw/zinc/01/33/45/591013345.db2.gz GHBYRRSTYUPUCZ-JQFCIGGWSA-N 1 0 335.448 1.275 20 10 EDCDRO CC[C@H](NC(C)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245775 591014689 /nfs/dbraw/zinc/01/46/89/591014689.db2.gz IZPPCGRPJFGXRM-DLBZAZTESA-N 1 0 334.464 1.386 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\Cn2cncn2)[NH+](C)C)cc1 ZINC000891245955 591015752 /nfs/dbraw/zinc/01/57/52/591015752.db2.gz KPOBXKFBBXGIOH-OSJSJHBBSA-N 1 0 342.447 1.319 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2ccncn2)[NH+](C)C)cc1 ZINC000891247439 591016766 /nfs/dbraw/zinc/01/67/66/591016766.db2.gz HIVVVDYHNZTOFN-SFHVURJKSA-N 1 0 341.459 1.894 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2cnn(C)n2)[NH+](C)C)cc1 ZINC000891249546 591017959 /nfs/dbraw/zinc/01/79/59/591017959.db2.gz RMWQDGCBGVBNNN-KRWDZBQOSA-N 1 0 344.463 1.233 20 10 EDCDRO COc1cncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891250052 591018833 /nfs/dbraw/zinc/01/88/33/591018833.db2.gz YMQXTDAMEDNVPR-INIZCTEOSA-N 1 0 343.431 1.584 20 10 EDCDRO COc1ccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(O)c1OC ZINC000893877354 591126532 /nfs/dbraw/zinc/12/65/32/591126532.db2.gz HHSMYWQCVARQQZ-CYBMUJFWSA-N 1 0 338.448 1.686 20 10 EDCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1 ZINC000895827331 591278364 /nfs/dbraw/zinc/27/83/64/591278364.db2.gz NRSABTREWAFFOH-UHFFFAOYSA-N 1 0 336.476 1.869 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2cn(C)cn2)[NH+](C)C)cc1 ZINC000898612159 591438906 /nfs/dbraw/zinc/43/89/06/591438906.db2.gz GXHWZXNPOXBMIC-QGZVFWFLSA-N 1 0 344.463 1.588 20 10 EDCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)O ZINC000896444164 591468096 /nfs/dbraw/zinc/46/80/96/591468096.db2.gz GUKGUKBAZADSNK-AWEZNQCLSA-N 1 0 334.464 1.397 20 10 EDCDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C1N=NC(=O)N1C ZINC000895176827 591642197 /nfs/dbraw/zinc/64/21/97/591642197.db2.gz PCCBLXLVFGIEQQ-ZDUSSCGKSA-N 1 0 330.436 1.123 20 10 EDCDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897764752 591648631 /nfs/dbraw/zinc/64/86/31/591648631.db2.gz OTCUMLMIKFUNKN-NSHDSACASA-N 1 0 336.413 1.499 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)N2CCCC2)c1O ZINC000897830836 591687840 /nfs/dbraw/zinc/68/78/40/591687840.db2.gz QLPPFEWVWCAZAO-UHFFFAOYSA-N 1 0 348.852 1.569 20 10 EDCDRO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895400584 591745086 /nfs/dbraw/zinc/74/50/86/591745086.db2.gz TWVWKQCQNWTYEJ-UHFFFAOYSA-N 1 0 331.460 1.748 20 10 EDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473124 591816010 /nfs/dbraw/zinc/81/60/10/591816010.db2.gz MHIREJYPCCCAAX-UHFFFAOYSA-N 1 0 346.475 1.346 20 10 EDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473775 591816729 /nfs/dbraw/zinc/81/67/29/591816729.db2.gz XWRQWDPBRNLQCB-KRWDZBQOSA-N 1 0 344.459 1.099 20 10 EDCDRO CC1(C)CC[N@H+](CCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000900157898 591920393 /nfs/dbraw/zinc/92/03/93/591920393.db2.gz NXHROLIOHFPXHL-UHFFFAOYSA-N 1 0 331.416 1.888 20 10 EDCDRO O=C1NCCN1CC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000902585793 592020195 /nfs/dbraw/zinc/02/01/95/592020195.db2.gz HCOZQWQJQKRBOQ-MRXNPFEDSA-N 1 0 347.415 1.055 20 10 EDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1 ZINC000903228409 592144026 /nfs/dbraw/zinc/14/40/26/592144026.db2.gz ZJAMSAHCRAFRKP-NSHDSACASA-N 1 0 334.463 1.409 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C2(O)CCOCC2)cc1F ZINC000905104058 592408188 /nfs/dbraw/zinc/40/81/88/592408188.db2.gz DFFHYRAZSWIJHH-KRWDZBQOSA-N 1 0 340.439 1.664 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911518750 592940301 /nfs/dbraw/zinc/94/03/01/592940301.db2.gz BBHAIOBZEQPELI-INIZCTEOSA-N 1 0 346.475 1.215 20 10 EDCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000795689522 593190487 /nfs/dbraw/zinc/19/04/87/593190487.db2.gz HWZQLLXIBMLKKS-SUYBPPKGSA-N 1 0 334.416 1.113 20 10 EDCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000808216593 593241267 /nfs/dbraw/zinc/24/12/67/593241267.db2.gz BTRCEBOWFZAYGA-GUYCJALGSA-N 1 0 334.416 1.556 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000808424550 593258255 /nfs/dbraw/zinc/25/82/55/593258255.db2.gz LBDROMOMMLCDMY-OAHLLOKOSA-N 1 0 340.493 1.113 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000839618517 593351575 /nfs/dbraw/zinc/35/15/75/593351575.db2.gz LAYRIBFNKNGLCS-QGZVFWFLSA-N 1 0 331.460 1.748 20 10 EDCDRO COCCOCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809789824 593358753 /nfs/dbraw/zinc/35/87/53/593358753.db2.gz IKGVEFBIBOWYKM-UHFFFAOYSA-N 1 0 326.412 1.757 20 10 EDCDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000810044710 593377025 /nfs/dbraw/zinc/37/70/25/593377025.db2.gz MGAIAUODBUCNKK-UHFFFAOYSA-N 1 0 331.457 1.653 20 10 EDCDRO COc1ccc(N2CCN(CCN[C@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892594 593645919 /nfs/dbraw/zinc/64/59/19/593645919.db2.gz BFZKJFYYKPOLTJ-YLJYHZDGSA-N 1 0 346.519 1.937 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817945718 593651051 /nfs/dbraw/zinc/65/10/51/593651051.db2.gz KHPXEHVDJJUHOX-SECBINFHSA-N 1 0 332.231 1.781 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[NH2+]C3CC3)C2)cc1 ZINC000818654983 593710508 /nfs/dbraw/zinc/71/05/08/593710508.db2.gz GWICLQVKEYUEQM-CQSZACIVSA-N 1 0 332.448 1.573 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)C2)cc1 ZINC000818656616 593710674 /nfs/dbraw/zinc/71/06/74/593710674.db2.gz ZMLUFRDEESWWCP-OWCLPIDISA-N 1 0 346.475 1.913 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC3CC[NH2+]CC3)C2)cc1 ZINC000818656525 593710683 /nfs/dbraw/zinc/71/06/83/593710683.db2.gz WLJTUSHJHVMQOG-INIZCTEOSA-N 1 0 346.475 1.820 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000818985393 593732438 /nfs/dbraw/zinc/73/24/38/593732438.db2.gz SPPFSYNIGHESCZ-ZDUSSCGKSA-N 1 0 337.355 1.147 20 10 EDCDRO CS(=O)(=O)CC[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002404 593733288 /nfs/dbraw/zinc/73/32/88/593733288.db2.gz LDFBKLHUKTTXCX-UHFFFAOYSA-N 1 0 348.415 1.891 20 10 EDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823794196 593860624 /nfs/dbraw/zinc/86/06/24/593860624.db2.gz NCZRLBZNIFOLQW-CQSZACIVSA-N 1 0 334.416 1.626 20 10 EDCDRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824608479 594046818 /nfs/dbraw/zinc/04/68/18/594046818.db2.gz GSYSWXHHKMSPAT-QGZVFWFLSA-N 1 0 338.473 1.316 20 10 EDCDRO CN(C)c1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1C ZINC000822443692 594050004 /nfs/dbraw/zinc/05/00/04/594050004.db2.gz ZVWCYCXICZXGAZ-UHFFFAOYSA-N 1 0 343.475 1.955 20 10 EDCDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000822455347 594051157 /nfs/dbraw/zinc/05/11/57/594051157.db2.gz DLJXVVAMABXUOC-CVEARBPZSA-N 1 0 340.514 1.905 20 10 EDCDRO CN1C(=O)NCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000822529742 594063020 /nfs/dbraw/zinc/06/30/20/594063020.db2.gz IJTFAVGSCXKGAE-UHFFFAOYSA-N 1 0 344.459 1.513 20 10 EDCDRO C[C@@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+](C)C ZINC000823518828 594213209 /nfs/dbraw/zinc/21/32/09/594213209.db2.gz CEEHZTPSDJKSJE-HNNXBMFYSA-N 1 0 348.491 1.787 20 10 EDCDRO C[C@H]1C[N@H+](CCCNC(=O)c2c(F)ccc(O)c2O)CCCO1 ZINC000830488467 594405260 /nfs/dbraw/zinc/40/52/60/594405260.db2.gz UWHDNCSECNXLEL-NSHDSACASA-N 1 0 326.368 1.468 20 10 EDCDRO O=C(C[C@H]1C[NH2+]CCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003790 594546999 /nfs/dbraw/zinc/54/69/99/594546999.db2.gz REEXFFIXAMGDDJ-CVEARBPZSA-N 1 0 334.416 1.278 20 10 EDCDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000826995319 594619366 /nfs/dbraw/zinc/61/93/66/594619366.db2.gz UEAATGRKTNAPTF-HNNXBMFYSA-N 1 0 349.406 1.689 20 10 EDCDRO [NH3+]Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)co1 ZINC000827369913 594665761 /nfs/dbraw/zinc/66/57/61/594665761.db2.gz RVQNWSYBERGIAB-UHFFFAOYSA-N 1 0 347.390 1.769 20 10 EDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827468929 594674995 /nfs/dbraw/zinc/67/49/95/594674995.db2.gz HEAKMDQJULROBH-LXZKKBNFSA-N 1 0 346.475 1.378 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(=O)NC3CC3)CCC2)cc1 ZINC000832274126 594739604 /nfs/dbraw/zinc/73/96/04/594739604.db2.gz SNYXMVVKNPXEBH-MRXNPFEDSA-N 1 0 344.459 1.318 20 10 EDCDRO C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293599 594740810 /nfs/dbraw/zinc/74/08/10/594740810.db2.gz YLTOIKFFOYQINK-DOMZBBRYSA-N 1 0 334.464 1.419 20 10 EDCDRO Cc1cc(N(C)C)ccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000840913610 594826665 /nfs/dbraw/zinc/82/66/65/594826665.db2.gz IRAXFTMEXYEGBV-UHFFFAOYSA-N 1 0 344.503 1.801 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000840936951 594830441 /nfs/dbraw/zinc/83/04/41/594830441.db2.gz OMMJPHNGRVNAAD-AWEZNQCLSA-N 1 0 325.478 1.432 20 10 EDCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(N)cc2)o1 ZINC000841100024 594850906 /nfs/dbraw/zinc/85/09/06/594850906.db2.gz CPFNJCFGOCAHKF-UHFFFAOYSA-N 1 0 344.415 1.699 20 10 EDCDRO CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000841729416 594944635 /nfs/dbraw/zinc/94/46/35/594944635.db2.gz FXMLRHUHWAJGPZ-UHFFFAOYSA-N 1 0 332.448 1.417 20 10 EDCDRO C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841740020 594945774 /nfs/dbraw/zinc/94/57/74/594945774.db2.gz DEGPMLKOHVLGCS-OWCLPIDISA-N 1 0 346.475 1.976 20 10 EDCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753517 594947834 /nfs/dbraw/zinc/94/78/34/594947834.db2.gz UZCAUSRPQULKNW-SNVBAGLBSA-N 1 0 335.857 1.529 20 10 EDCDRO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCC[NH2+]C1 ZINC000841923505 594982581 /nfs/dbraw/zinc/98/25/81/594982581.db2.gz JDHLEWZHSYULAN-SNVBAGLBSA-N 1 0 342.237 1.954 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1cccc(Br)c1O ZINC000841986660 594995934 /nfs/dbraw/zinc/99/59/34/594995934.db2.gz UUVHDUXSYDPZIK-SECBINFHSA-N 1 0 330.226 1.952 20 10 EDCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150016 595023569 /nfs/dbraw/zinc/02/35/69/595023569.db2.gz LEVVSCDSVSTBGQ-MRXNPFEDSA-N 1 0 346.475 1.175 20 10 EDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842202953 595036970 /nfs/dbraw/zinc/03/69/70/595036970.db2.gz NBXSTZKJPFUMNL-BBRMVZONSA-N 1 0 332.448 1.140 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842203171 595037062 /nfs/dbraw/zinc/03/70/62/595037062.db2.gz QAFKVQIFFNAOEK-YDHLFZDLSA-N 1 0 332.448 1.173 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000842206231 595038096 /nfs/dbraw/zinc/03/80/96/595038096.db2.gz BSDVFJXRXCLLDE-MRXNPFEDSA-N 1 0 334.464 1.249 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000842206436 595038823 /nfs/dbraw/zinc/03/88/23/595038823.db2.gz GKKRTHPNXMRIHL-YOEHRIQHSA-N 1 0 346.475 1.263 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000842206367 595038945 /nfs/dbraw/zinc/03/89/45/595038945.db2.gz DXIMFQVNWYZTAA-MRXNPFEDSA-N 1 0 346.475 1.407 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000842208509 595039499 /nfs/dbraw/zinc/03/94/99/595039499.db2.gz VVKFLFDCISNBMH-INIZCTEOSA-N 1 0 346.475 1.265 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000842265119 595059924 /nfs/dbraw/zinc/05/99/24/595059924.db2.gz GZXCZDFHCCEPQE-MRXNPFEDSA-N 1 0 347.459 1.779 20 10 EDCDRO CC(=O)NCCCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297443 595066283 /nfs/dbraw/zinc/06/62/83/595066283.db2.gz JGJLIFXKIZNXTR-KRWDZBQOSA-N 1 0 334.464 1.565 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CCO1 ZINC000834317469 595092632 /nfs/dbraw/zinc/09/26/32/595092632.db2.gz VVLFZCUUQWZYQH-ABAIWWIYSA-N 1 0 346.456 1.504 20 10 EDCDRO CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1O ZINC000843384826 595095572 /nfs/dbraw/zinc/09/55/72/595095572.db2.gz BJEMGZVRNCGGKD-HNNXBMFYSA-N 1 0 337.851 1.728 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843489118 595127391 /nfs/dbraw/zinc/12/73/91/595127391.db2.gz FOXGVWRCTOYKIU-WVSHTKLVSA-N 1 0 326.780 1.285 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[NH2+]C(C)C ZINC000843489399 595127828 /nfs/dbraw/zinc/12/78/28/595127828.db2.gz MQMDSMUGIWJCTJ-UHFFFAOYSA-N 1 0 342.823 1.935 20 10 EDCDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000842586769 595133641 /nfs/dbraw/zinc/13/36/41/595133641.db2.gz PNOLBKCPMIANSK-LLVKDONJSA-N 1 0 340.405 1.860 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000846161435 595162153 /nfs/dbraw/zinc/16/21/53/595162153.db2.gz ZCBSWIUBHAEGMN-IUUKEHGRSA-N 1 0 347.415 1.772 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cscn2)cc1 ZINC000842785009 595197510 /nfs/dbraw/zinc/19/75/10/595197510.db2.gz KAOSXUKEJSFGEZ-LBPRGKRZSA-N 1 0 326.447 1.187 20 10 EDCDRO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000844174203 595291868 /nfs/dbraw/zinc/29/18/68/595291868.db2.gz PRUWLMQYOHCDJG-SFHVURJKSA-N 1 0 331.460 1.639 20 10 EDCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)cc(OC)c1O ZINC000843123810 595292741 /nfs/dbraw/zinc/29/27/41/595292741.db2.gz PXANRETWOYBLGL-LBPRGKRZSA-N 1 0 328.796 1.391 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000846672304 595297694 /nfs/dbraw/zinc/29/76/94/595297694.db2.gz GHWJISBYKGJPEM-PXNSSMCTSA-N 1 0 343.471 1.775 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844217053 595304744 /nfs/dbraw/zinc/30/47/44/595304744.db2.gz AIHNSMIUDADSNE-QAPCUYQASA-N 1 0 332.492 1.913 20 10 EDCDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844227565 595310323 /nfs/dbraw/zinc/31/03/23/595310323.db2.gz ZLPHPKXIDNILPX-ZRGWGRIASA-N 1 0 332.492 1.687 20 10 EDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845004660 595425689 /nfs/dbraw/zinc/42/56/89/595425689.db2.gz RZPHUMLEVVIDTE-CYBMUJFWSA-N 1 0 327.812 1.566 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)c1 ZINC000847588775 595453244 /nfs/dbraw/zinc/45/32/44/595453244.db2.gz BDWRAKQEIBGOEL-GFCCVEGCSA-N 1 0 332.404 1.650 20 10 EDCDRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cc(Cl)ccc1O ZINC000845220263 595463830 /nfs/dbraw/zinc/46/38/30/595463830.db2.gz UPEOBEOSOHMFLG-UHFFFAOYSA-N 1 0 327.812 1.567 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=[NH2+])N3CCCCC3)CC2)cc1 ZINC000849067614 595477491 /nfs/dbraw/zinc/47/74/91/595477491.db2.gz PIMZXCYKHNHTJO-UHFFFAOYSA-N 1 0 345.491 1.827 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=S)NCCC[NH+](C)C)C2)cc1 ZINC000849270856 595498933 /nfs/dbraw/zinc/49/89/33/595498933.db2.gz RBKGRQIXWZHCNQ-AWEZNQCLSA-N 1 0 336.505 1.690 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2cc(C3CC3)cn2)cc1 ZINC000852792697 595545049 /nfs/dbraw/zinc/54/50/49/595545049.db2.gz ZUBPGJHBHSCHAJ-QGZVFWFLSA-N 1 0 327.432 1.643 20 10 EDCDRO C[C@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000852863302 595584021 /nfs/dbraw/zinc/58/40/21/595584021.db2.gz SYRPWXPBUWHBRL-JQFCIGGWSA-N 1 0 333.432 1.064 20 10 EDCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)[NH3+] ZINC000852868507 595588486 /nfs/dbraw/zinc/58/84/86/595588486.db2.gz HPGDKTFQIQLFQD-KDOFPFPSSA-N 1 0 333.476 1.883 20 10 EDCDRO CN(CCC[NH3+])C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000852915257 595612870 /nfs/dbraw/zinc/61/28/70/595612870.db2.gz CHCWLIRVDQZXIQ-UHFFFAOYSA-N 1 0 345.399 1.321 20 10 EDCDRO C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccccc1O ZINC000109773504 595735495 /nfs/dbraw/zinc/73/54/95/595735495.db2.gz ONLMVNIMQBXUJM-OAHLLOKOSA-N 1 0 342.395 1.780 20 10 EDCDRO COc1cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c(O)c(C(C)(C)C)c1 ZINC000850279014 595795835 /nfs/dbraw/zinc/79/58/35/595795835.db2.gz MTNQXWYNQUCELA-LBPRGKRZSA-N 1 0 335.404 1.418 20 10 EDCDRO COc1cc(C[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c(C(C)(C)C)c1 ZINC000850323804 595807490 /nfs/dbraw/zinc/80/74/90/595807490.db2.gz GGVDPUXTUXDXPY-CYBMUJFWSA-N 1 0 334.420 1.441 20 10 EDCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000850360402 595817963 /nfs/dbraw/zinc/81/79/63/595817963.db2.gz DUEWSXHHANQULA-FUHWJXTLSA-N 1 0 347.436 1.961 20 10 EDCDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851667128 595876570 /nfs/dbraw/zinc/87/65/70/595876570.db2.gz NCMMOBKHWVSFAY-JKSUJKDBSA-N 1 0 346.475 1.574 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC000851671676 595878641 /nfs/dbraw/zinc/87/86/41/595878641.db2.gz SHZDYNZOGXNYMM-UHFFFAOYSA-N 1 0 346.475 1.936 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](C[NH+](C)C)C3)C2)cc1 ZINC000854298633 596025942 /nfs/dbraw/zinc/02/59/42/596025942.db2.gz HGIZYOFETQPRTG-HZPDHXFCSA-N 1 0 346.475 1.867 20 10 EDCDRO CN1CCCc2cc(CNC(=O)NCC3([NH3+])CCOCC3)ccc21 ZINC000861567750 596031877 /nfs/dbraw/zinc/03/18/77/596031877.db2.gz KJCSPKHMZRLUKB-UHFFFAOYSA-N 1 0 332.448 1.376 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000861658809 596058328 /nfs/dbraw/zinc/05/83/28/596058328.db2.gz OBVICVMZKDRMRW-RHSMWYFYSA-N 1 0 344.459 1.858 20 10 EDCDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000854570627 596123252 /nfs/dbraw/zinc/12/32/52/596123252.db2.gz RHGZICHFLQZWAX-MFBWXBCUSA-N 1 0 346.427 1.823 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717090 596308432 /nfs/dbraw/zinc/30/84/32/596308432.db2.gz VNEGXBZWKSUDEN-MJGOQNOKSA-N 1 0 344.503 1.785 20 10 EDCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862475460 596334627 /nfs/dbraw/zinc/33/46/27/596334627.db2.gz LKQLXBYUMRHGAS-OAHLLOKOSA-N 1 0 340.332 1.073 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000862552353 596345208 /nfs/dbraw/zinc/34/52/08/596345208.db2.gz WXFYIYFGQMPTLS-LBPRGKRZSA-N 1 0 328.434 1.162 20 10 EDCDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000863341890 596557164 /nfs/dbraw/zinc/55/71/64/596557164.db2.gz WHXWCBXXOFUGCC-ZDUSSCGKSA-N 1 0 342.461 1.470 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1F ZINC000864054483 596746021 /nfs/dbraw/zinc/74/60/21/596746021.db2.gz SLIGWFXFMOJCGJ-MRXNPFEDSA-N 1 0 341.358 1.342 20 10 EDCDRO Cc1cc(C[N@@H+]2CCNC(=O)CC23CCOCC3)ccc1N(C)C ZINC000872283513 596866511 /nfs/dbraw/zinc/86/65/11/596866511.db2.gz DNXJNGYCZNBSPX-UHFFFAOYSA-N 1 0 331.460 1.932 20 10 EDCDRO COc1ccc(C[NH2+]CCN2CCOC[C@@H]2C)cc1Cn1cccn1 ZINC000873042124 597168680 /nfs/dbraw/zinc/16/86/80/597168680.db2.gz MLXSAUXBQHLTOQ-INIZCTEOSA-N 1 0 344.459 1.750 20 10 EDCDRO CCc1nncn1CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873064797 597177799 /nfs/dbraw/zinc/17/77/99/597177799.db2.gz ITRRPVKGUOUESP-UHFFFAOYSA-N 1 0 340.431 1.884 20 10 EDCDRO NC(=O)C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000876570536 597245059 /nfs/dbraw/zinc/24/50/59/597245059.db2.gz FSMPAIZXWBLSDJ-UHFFFAOYSA-N 1 0 331.460 1.878 20 10 EDCDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)CCN12 ZINC000876654738 597276831 /nfs/dbraw/zinc/27/68/31/597276831.db2.gz NQCYPNCRSFXOAO-KRWDZBQOSA-N 1 0 329.444 1.454 20 10 EDCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000876732018 597311124 /nfs/dbraw/zinc/31/11/24/597311124.db2.gz VYOSVKGPTWJYQH-CJNGLKHVSA-N 1 0 335.423 1.652 20 10 EDCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CN(C)CCO1 ZINC000877100492 597433561 /nfs/dbraw/zinc/43/35/61/597433561.db2.gz UBCWZRUEMKRVQL-HNAYVOBHSA-N 1 0 333.476 1.456 20 10 EDCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000877473006 597521865 /nfs/dbraw/zinc/52/18/65/597521865.db2.gz CYDJTFPKDOVUKK-UHFFFAOYSA-N 1 0 335.425 1.756 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CCCO3)cc2)CC1 ZINC000883096704 597647757 /nfs/dbraw/zinc/64/77/57/597647757.db2.gz OXFKRIYAHNYNIC-GOSISDBHSA-N 1 0 346.475 1.807 20 10 EDCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCN(CCN3CCOCC3)C1)CC2 ZINC000883371520 597725693 /nfs/dbraw/zinc/72/56/93/597725693.db2.gz NWLPJLJFGWWMGZ-ROUUACIJSA-N 1 0 345.487 1.766 20 10 EDCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCN(CCN3CCOCC3)C1)CC2 ZINC000883371521 597726331 /nfs/dbraw/zinc/72/63/31/597726331.db2.gz NWLPJLJFGWWMGZ-ZWKOTPCHSA-N 1 0 345.487 1.766 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CN3CCSC3=O)cc2)CC1 ZINC000881849125 597753149 /nfs/dbraw/zinc/75/31/49/597753149.db2.gz JNFDIQJULVPOQT-UHFFFAOYSA-N 1 0 348.472 1.223 20 10 EDCDRO COCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000881853861 597756156 /nfs/dbraw/zinc/75/61/56/597756156.db2.gz MNLQKVMWRKJDDG-UHFFFAOYSA-N 1 0 331.460 1.871 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880135502 597851519 /nfs/dbraw/zinc/85/15/19/597851519.db2.gz WJMKIZKRAIYAEI-MSOLQXFVSA-N 1 0 330.476 1.537 20 10 EDCDRO CCOCC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463441 597924224 /nfs/dbraw/zinc/92/42/24/597924224.db2.gz WQEKEZMIODLOFQ-OAHLLOKOSA-N 1 0 338.448 1.613 20 10 EDCDRO COCC[C@@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000884305560 598059873 /nfs/dbraw/zinc/05/98/73/598059873.db2.gz ZOWRWSXCPFHNNF-ZWKOTPCHSA-N 1 0 349.475 1.624 20 10 EDCDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000130487299 598104093 /nfs/dbraw/zinc/10/40/93/598104093.db2.gz YLKFCNCGDRPILE-KRWDZBQOSA-N 1 0 331.460 1.511 20 10 EDCDRO Cc1cc(Cn2cc(CCN3CC[NH2+]CC3)nn2)ccc1N(C)C ZINC000881378623 598136394 /nfs/dbraw/zinc/13/63/94/598136394.db2.gz QVPHXKLTOXNIQL-UHFFFAOYSA-N 1 0 328.464 1.149 20 10 EDCDRO COc1ccc(-n2nnnc2C[NH2+]CC2CCN(C(C)=O)CC2)cc1 ZINC000997454956 703678157 /nfs/dbraw/zinc/67/81/57/703678157.db2.gz FEWCKFPNMHXKRF-UHFFFAOYSA-N 1 0 344.419 1.019 20 10 EDCDRO CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000922851367 704438253 /nfs/dbraw/zinc/43/82/53/704438253.db2.gz VCPDCSODFLINKV-AGUYFDCRSA-N 1 0 325.430 1.989 20 10 EDCDRO C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945225821 705325646 /nfs/dbraw/zinc/32/56/46/705325646.db2.gz VHVMRJNXFOGGCU-BXUZGUMPSA-N 1 0 333.392 1.282 20 10 EDCDRO COc1ccc(-n2nnnc2C[NH2+][C@H]2CC[C@H](NC(C)=O)CC2)cc1 ZINC001034574468 710261352 /nfs/dbraw/zinc/26/13/52/710261352.db2.gz DWRZPWSBOHMFPZ-HDJSIYSDSA-N 1 0 344.419 1.208 20 10 EDCDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922401419 711480527 /nfs/dbraw/zinc/48/05/27/711480527.db2.gz LAVWSAAOLPQJCA-MLGOLLRUSA-N 1 0 331.372 1.957 20 10 EDCDRO CN1CCc2cc(CNC(=O)NC[C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000372446066 250219762 /nfs/dbraw/zinc/21/97/62/250219762.db2.gz JRPIHPUMUXHNHO-KRWDZBQOSA-N 1 0 346.475 1.325 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000368905056 250201929 /nfs/dbraw/zinc/20/19/29/250201929.db2.gz MTDHVEQNXFHKSS-MJGOQNOKSA-N 1 0 331.460 1.868 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCC(=O)OC[C@H](C)O)CC2)cc1 ZINC000370467144 250207303 /nfs/dbraw/zinc/20/73/03/250207303.db2.gz ADVIGEHOBJNMHD-HNNXBMFYSA-N 1 0 336.432 1.521 20 10 EDCDRO COC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000376123810 250284924 /nfs/dbraw/zinc/28/49/24/250284924.db2.gz WIHURWVXOKGLKA-SMDDNHRTSA-N 1 0 343.374 1.347 20 10 EDCDRO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000177418475 533140975 /nfs/dbraw/zinc/14/09/75/533140975.db2.gz VIYFJCIUDHWURC-IBGZPJMESA-N 1 0 347.459 1.596 20 10 EDCDRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269009920 290045829 /nfs/dbraw/zinc/04/58/29/290045829.db2.gz NFXFWTNGVPBGOY-ZFWWWQNUSA-N 1 0 325.478 1.827 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000377978467 447393434 /nfs/dbraw/zinc/39/34/34/447393434.db2.gz PDCXLBOZFNBIGE-FZKQIMNGSA-N 1 0 347.415 1.601 20 10 EDCDRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378351624 447420172 /nfs/dbraw/zinc/42/01/72/447420172.db2.gz WYXVGLZZGFVXQD-PMACEKPBSA-N 1 0 345.487 1.554 20 10 EDCDRO CC(=O)NCC1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000052848830 441480603 /nfs/dbraw/zinc/48/06/03/441480603.db2.gz QCRLAEJQAFNMKB-UHFFFAOYSA-N 1 0 346.475 1.217 20 10 EDCDRO CC[NH+](CC)Cc1ccc(CNC=C2C(=O)NC(=S)NC2=O)cc1 ZINC000052536828 441458346 /nfs/dbraw/zinc/45/83/46/441458346.db2.gz RJGHXFUCGDCWEG-UHFFFAOYSA-N 1 0 346.456 1.033 20 10 EDCDRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000091896509 441751529 /nfs/dbraw/zinc/75/15/29/441751529.db2.gz QDPCDZLWEKAWTM-INIZCTEOSA-N 1 0 325.478 1.655 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)cc1OC ZINC000160154440 441862512 /nfs/dbraw/zinc/86/25/12/441862512.db2.gz WBLNEDLEBBTYNS-UHFFFAOYSA-N 1 0 334.416 1.996 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159893759 441844814 /nfs/dbraw/zinc/84/48/14/441844814.db2.gz LBTDGOAJDQBOES-ULJNDFNZSA-N 1 0 341.455 1.889 20 10 EDCDRO CC[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[NH2+]C1 ZINC000119617686 441943689 /nfs/dbraw/zinc/94/36/89/441943689.db2.gz QHNYZOCJHRBNLN-IBGZPJMESA-N 1 0 349.450 1.793 20 10 EDCDRO C[NH2+]CC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000165993430 442212716 /nfs/dbraw/zinc/21/27/16/442212716.db2.gz BUFZKEQKJLCHIV-UHFFFAOYSA-N 1 0 331.338 1.890 20 10 EDCDRO NS(=O)(=O)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000171934358 442391914 /nfs/dbraw/zinc/39/19/14/442391914.db2.gz DYEKMASNUNZYKE-CQSZACIVSA-N 1 0 328.434 1.052 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(C)=O)cc2F)CC1 ZINC000171624732 442363930 /nfs/dbraw/zinc/36/39/30/442363930.db2.gz DQLFLBLAWCBLKM-UHFFFAOYSA-N 1 0 335.423 1.953 20 10 EDCDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000186166411 442476265 /nfs/dbraw/zinc/47/62/65/442476265.db2.gz QYUJISZVVPMQKE-QWRGUYRKSA-N 1 0 332.853 1.978 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000186168547 442476339 /nfs/dbraw/zinc/47/63/39/442476339.db2.gz OAGPZFKJVKKFNA-VXGBXAGGSA-N 1 0 328.434 1.475 20 10 EDCDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000180032563 442531674 /nfs/dbraw/zinc/53/16/74/442531674.db2.gz SPPUKQSRAKBWOB-UHFFFAOYSA-N 1 0 335.448 1.387 20 10 EDCDRO COc1ccc(O)c(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000180617191 442634928 /nfs/dbraw/zinc/63/49/28/442634928.db2.gz RWRFVTDTXHSCSK-INIZCTEOSA-N 1 0 333.432 1.139 20 10 EDCDRO COc1cc(N2CC[NH+](CCCCCO)CC2)cc(OC)c1OC ZINC000183697103 442953337 /nfs/dbraw/zinc/95/33/37/442953337.db2.gz IIXWHTVIBUXCPQ-UHFFFAOYSA-N 1 0 338.448 1.997 20 10 EDCDRO O=C(NCc1ccccc1O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264298111 443258441 /nfs/dbraw/zinc/25/84/41/443258441.db2.gz NGTQXRGWRMLIHZ-UHFFFAOYSA-N 1 0 333.432 1.836 20 10 EDCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000278687055 443403010 /nfs/dbraw/zinc/40/30/10/443403010.db2.gz OWDBMTGYZOFELF-CABCVRRESA-N 1 0 334.464 1.349 20 10 EDCDRO CCOc1cccc(C[N@@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)c1O ZINC000278812741 443449360 /nfs/dbraw/zinc/44/93/60/443449360.db2.gz YSMCUKXYZDQSNE-GDBMZVCRSA-N 1 0 339.432 1.637 20 10 EDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275830977 443644199 /nfs/dbraw/zinc/64/41/99/443644199.db2.gz VIRJFYRHLSLKDZ-OAHLLOKOSA-N 1 0 327.432 1.779 20 10 EDCDRO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288114648 443775425 /nfs/dbraw/zinc/77/54/25/443775425.db2.gz IXVBWJJQMKFFOQ-UHFFFAOYSA-N 1 0 348.491 1.559 20 10 EDCDRO NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000284479126 443777028 /nfs/dbraw/zinc/77/70/28/443777028.db2.gz GJFYJOXXDBQFGL-SUMWQHHRSA-N 1 0 348.399 1.223 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000298635309 443824213 /nfs/dbraw/zinc/82/42/13/443824213.db2.gz KHKFWVMMKMNTFC-HOCLYGCPSA-N 1 0 347.459 1.539 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000288640639 443942567 /nfs/dbraw/zinc/94/25/67/443942567.db2.gz QGPJZLJLMUUJDP-CYBMUJFWSA-N 1 0 334.416 1.854 20 10 EDCDRO C[C@@H]1C[C@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000299215089 443985122 /nfs/dbraw/zinc/98/51/22/443985122.db2.gz HVJUDELAWKRSHL-CRAIPNDOSA-N 1 0 332.492 1.783 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000289543854 444168985 /nfs/dbraw/zinc/16/89/85/444168985.db2.gz XAJQCAZSFMMYGV-UHFFFAOYSA-N 1 0 333.388 1.307 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000296369150 444224355 /nfs/dbraw/zinc/22/43/55/444224355.db2.gz SMKSDZFHRXXUMR-JQHSSLGASA-N 1 0 331.460 1.772 20 10 EDCDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298040044 444394847 /nfs/dbraw/zinc/39/48/47/444394847.db2.gz CTLLSBMDGMUFOU-HKUYNNGSSA-N 1 0 344.503 1.927 20 10 EDCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000360093692 445562521 /nfs/dbraw/zinc/56/25/21/445562521.db2.gz VBLNLVYTNGDUFR-CYBMUJFWSA-N 1 0 330.388 1.420 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1F ZINC000360093061 445562734 /nfs/dbraw/zinc/56/27/34/445562734.db2.gz OLUOSIDNZUXXHA-AWEZNQCLSA-N 1 0 331.395 1.520 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000527450996 448228681 /nfs/dbraw/zinc/22/86/81/448228681.db2.gz DEHWANJWWVYLPU-AWEZNQCLSA-N 1 0 330.432 1.617 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)C1 ZINC000742368057 579450208 /nfs/dbraw/zinc/45/02/08/579450208.db2.gz RCHRVGIJSBLBII-OAHLLOKOSA-N 1 0 343.427 1.763 20 10 EDCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759584784 580009738 /nfs/dbraw/zinc/00/97/38/580009738.db2.gz ZUIAFGJJDGRLHD-LBPRGKRZSA-N 1 0 344.506 1.645 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@]3(C)CO)CC2)cc1 ZINC000759899887 580018471 /nfs/dbraw/zinc/01/84/71/580018471.db2.gz FKZGTQXTXKBWCG-IBGZPJMESA-N 1 0 347.459 1.191 20 10 EDCDRO CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1cc(Cl)ccc1O ZINC000760045629 580021998 /nfs/dbraw/zinc/02/19/98/580021998.db2.gz HLFKFYDDUPNANA-ZDUSSCGKSA-N 1 0 349.884 1.919 20 10 EDCDRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000732281265 578702477 /nfs/dbraw/zinc/70/24/77/578702477.db2.gz VZPQPMZEEOTNNB-CYBMUJFWSA-N 1 0 325.478 1.942 20 10 EDCDRO COc1cc(Cl)cc(CN2CC[NH+](C(C)(C)CO)CC2)c1O ZINC000761203505 580051377 /nfs/dbraw/zinc/05/13/77/580051377.db2.gz VAJGOJSUGQRXHW-UHFFFAOYSA-N 1 0 328.840 1.943 20 10 EDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000748561950 579692892 /nfs/dbraw/zinc/69/28/92/579692892.db2.gz UVQNONYWTHYMPR-WBVHZDCISA-N 1 0 344.459 1.099 20 10 EDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c1 ZINC000756634946 579954012 /nfs/dbraw/zinc/95/40/12/579954012.db2.gz OXVAYJHZCAQYGH-GFCCVEGCSA-N 1 0 339.417 1.459 20 10 EDCDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000762557262 580077386 /nfs/dbraw/zinc/07/73/86/580077386.db2.gz XSBHDFUGPCFGFH-GOSISDBHSA-N 1 0 348.447 1.741 20 10 EDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Br)cc1O ZINC000762787445 580083231 /nfs/dbraw/zinc/08/32/31/580083231.db2.gz MNRMFESAJOQIBC-YGRLFVJLSA-N 1 0 329.238 1.872 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(O)c1 ZINC000768235239 580209494 /nfs/dbraw/zinc/20/94/94/580209494.db2.gz YQQLCLYFACEIJI-MRXNPFEDSA-N 1 0 348.443 1.862 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccccn3)CC1)[C@H](O)CO2 ZINC000768437802 580212727 /nfs/dbraw/zinc/21/27/27/580212727.db2.gz HZLVKTKDOLNMGX-MRXNPFEDSA-N 1 0 327.384 1.535 20 10 EDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCCOC1 ZINC000770704311 580268610 /nfs/dbraw/zinc/26/86/10/580268610.db2.gz DWVDGICJFJCJFV-KRWDZBQOSA-N 1 0 339.363 1.936 20 10 EDCDRO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000774438519 580362241 /nfs/dbraw/zinc/36/22/41/580362241.db2.gz SMANSZIDINZQSX-UHFFFAOYSA-N 1 0 334.464 1.135 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000775370991 580389415 /nfs/dbraw/zinc/38/94/15/580389415.db2.gz ZGAFSTIILGAFMO-CHWSQXEVSA-N 1 0 349.431 1.131 20 10 EDCDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000775829504 580402157 /nfs/dbraw/zinc/40/21/57/580402157.db2.gz ZKTLDMFCUVCITJ-BLLLJJGKSA-N 1 0 333.392 1.569 20 10 EDCDRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000775834140 580402243 /nfs/dbraw/zinc/40/22/43/580402243.db2.gz PWZBTIALCFEUPA-CYBMUJFWSA-N 1 0 331.420 1.410 20 10 EDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000776485844 580418407 /nfs/dbraw/zinc/41/84/07/580418407.db2.gz ATYWRLDJBVSVPS-ZWKOTPCHSA-N 1 0 349.475 1.495 20 10 EDCDRO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1O ZINC000780935997 580538032 /nfs/dbraw/zinc/53/80/32/580538032.db2.gz XUPYTVPWJBPBSI-UHFFFAOYSA-N 1 0 349.431 1.079 20 10 EDCDRO CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783740775 580605034 /nfs/dbraw/zinc/60/50/34/580605034.db2.gz MOMXGTOQCKZFFR-FQEVSTJZSA-N 1 0 344.503 1.929 20 10 EDCDRO CC1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)OCCO1 ZINC000784039692 580612437 /nfs/dbraw/zinc/61/24/37/580612437.db2.gz ZEDOGXJPZGUUIK-XJKSGUPXSA-N 1 0 335.400 1.793 20 10 EDCDRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000791565103 580795569 /nfs/dbraw/zinc/79/55/69/580795569.db2.gz FBVHSHZMDGFXEB-ZIAGYGMSSA-N 1 0 335.423 1.761 20 10 EDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000794832636 580906592 /nfs/dbraw/zinc/90/65/92/580906592.db2.gz APMVIMFRMJDZFS-STQMWFEESA-N 1 0 328.840 1.835 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@]2(CCCOC2)O1 ZINC000794897547 580907551 /nfs/dbraw/zinc/90/75/51/580907551.db2.gz DFFIDLRZGTUTJJ-PUECVXPYSA-N 1 0 335.400 1.588 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CCC[C@@H]3C)CC2)cc1 ZINC000800392747 581052170 /nfs/dbraw/zinc/05/21/70/581052170.db2.gz YTYAQHMVSURSNR-HQRMLTQVSA-N 1 0 347.503 1.956 20 10 EDCDRO CC(=O)NCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891939807 590697397 /nfs/dbraw/zinc/69/73/97/590697397.db2.gz GODNLXIPNPGZSS-QGZVFWFLSA-N 1 0 349.479 1.181 20 10 EDCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000893329477 590783017 /nfs/dbraw/zinc/78/30/17/590783017.db2.gz READQDLJISBEML-RDJZCZTQSA-N 1 0 349.475 1.529 20 10 EDCDRO CCn1nncc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246968 591016425 /nfs/dbraw/zinc/01/64/25/591016425.db2.gz FWCKHSMPQBUWPB-OAHLLOKOSA-N 1 0 330.436 1.397 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)c2cccn2C)[NH+](C)C)cc1 ZINC000891247342 591016741 /nfs/dbraw/zinc/01/67/41/591016741.db2.gz IQGXXNLBOFVNBH-QGZVFWFLSA-N 1 0 342.443 1.693 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3n(n2)CCC3)[NH+](C)C)cc1 ZINC000891248447 591017357 /nfs/dbraw/zinc/01/73/57/591017357.db2.gz MTSRVQNNQDDEJI-GOSISDBHSA-N 1 0 341.459 1.928 20 10 EDCDRO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000891248115 591017924 /nfs/dbraw/zinc/01/79/24/591017924.db2.gz VVHAVOFQMHRCGF-ZTFGCOKTSA-N 1 0 332.492 1.812 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[NH+](C)C)cc1 ZINC000891254941 591021718 /nfs/dbraw/zinc/02/17/18/591021718.db2.gz KPAOEBCYTFQXIM-MRXNPFEDSA-N 1 0 343.431 1.212 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2ccccc2=O)[NH+](C)C)cc1 ZINC000891256528 591022148 /nfs/dbraw/zinc/02/21/48/591022148.db2.gz YZPJSNOHIRYFDE-QGZVFWFLSA-N 1 0 342.443 1.333 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000840974605 591060310 /nfs/dbraw/zinc/06/03/10/591060310.db2.gz COSKFJJOVFFTRH-WCQYABFASA-N 1 0 330.222 1.638 20 10 EDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1OC ZINC000892622053 591099958 /nfs/dbraw/zinc/09/99/58/591099958.db2.gz NKSHJPTZGLCJNG-CGTJXYLNSA-N 1 0 338.423 1.944 20 10 EDCDRO CN(C)c1ccc([C@H](CNc2cncc3ncnn32)[NH+](C)C)cc1 ZINC000897525460 591529013 /nfs/dbraw/zinc/52/90/13/591529013.db2.gz OFQSFELJRJJMAI-HNNXBMFYSA-N 1 0 325.420 1.905 20 10 EDCDRO COCc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(=O)[nH]1 ZINC000895144314 591616892 /nfs/dbraw/zinc/61/68/92/591616892.db2.gz IKOSXXYAXYCKHL-UHFFFAOYSA-N 1 0 343.431 1.693 20 10 EDCDRO COC(=O)c1c(C[NH2+]C[C@@](C)(CO)OC)c2cc(F)ccc2n1C ZINC000895183144 591646846 /nfs/dbraw/zinc/64/68/46/591646846.db2.gz IQDUFCUKPFOLCY-KRWDZBQOSA-N 1 0 338.379 1.591 20 10 EDCDRO O=C1CCCN1C1CN(Cc2c(O)cccc2Br)C1 ZINC000897785058 591667702 /nfs/dbraw/zinc/66/77/02/591667702.db2.gz RVNVANIEOSCZFK-UHFFFAOYSA-N 1 0 325.206 1.961 20 10 EDCDRO CN(C)c1cc(F)c(CN2CCN(C)CC[N@H+](C)CC2)cc1F ZINC000897858274 591680525 /nfs/dbraw/zinc/68/05/25/591680525.db2.gz DWWWTBBYABMBGR-UHFFFAOYSA-N 1 0 326.435 1.710 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCC(F)(F)CO)[NH+](C)C)cc1 ZINC000899103392 591683811 /nfs/dbraw/zinc/68/38/11/591683811.db2.gz LJUSDZFQJLNKEO-AWEZNQCLSA-N 1 0 344.406 1.282 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2(O)CCC2)[NH+](C)C)cc1 ZINC000899100884 591689909 /nfs/dbraw/zinc/68/99/09/591689909.db2.gz CJJCDHBOAXLPMY-QGZVFWFLSA-N 1 0 348.491 1.912 20 10 EDCDRO CN(C)c1ccc(CN2C[C@H](O)C[C@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000895367298 591730521 /nfs/dbraw/zinc/73/05/21/591730521.db2.gz AVEBADCZDZEXEB-YPMHNXCESA-N 1 0 331.338 1.192 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895526893 591788947 /nfs/dbraw/zinc/78/89/47/591788947.db2.gz TXPBBSSNTMQUJR-SFHVURJKSA-N 1 0 331.460 1.822 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc2)CC1 ZINC000901900966 591862690 /nfs/dbraw/zinc/86/26/90/591862690.db2.gz SPKCFIKTXCMQPV-RBUKOAKNSA-N 1 0 343.471 1.981 20 10 EDCDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@]3(CCOC3)C2=O)[NH+](C)C)cc1 ZINC000900185559 591932716 /nfs/dbraw/zinc/93/27/16/591932716.db2.gz ORAYLBQEDCWTHX-YJBOKZPZSA-N 1 0 346.431 1.066 20 10 EDCDRO COCC[C@@H]1C[NH2+]CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000900441542 592019626 /nfs/dbraw/zinc/01/96/26/592019626.db2.gz VEOUABPFUXCGEN-YVARQFDVSA-N 1 0 349.387 1.596 20 10 EDCDRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cc(F)ccc1O ZINC000903225021 592136758 /nfs/dbraw/zinc/13/67/58/592136758.db2.gz DGNMAUQSLQRAHQ-SECBINFHSA-N 1 0 338.426 1.239 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903857516 592348084 /nfs/dbraw/zinc/34/80/84/592348084.db2.gz VETWMJGVHVMOCW-APWZRJJASA-N 1 0 330.476 1.524 20 10 EDCDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000906432143 592816293 /nfs/dbraw/zinc/81/62/93/592816293.db2.gz AKAAAGLRZLOPLB-UHFFFAOYSA-N 1 0 344.503 1.787 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC000911565206 592949311 /nfs/dbraw/zinc/94/93/11/592949311.db2.gz YXOCONHTNRKQNL-INIZCTEOSA-N 1 0 346.475 1.359 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCN3C(=O)N[C@H](C)C3=O)CC2)cc1 ZINC000838799885 593213390 /nfs/dbraw/zinc/21/33/90/593213390.db2.gz ZBGJKIDIEVXHRK-CQSZACIVSA-N 1 0 346.431 1.148 20 10 EDCDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](C[NH+]4CCCC4)C3)cc2N1 ZINC000814852884 593605000 /nfs/dbraw/zinc/60/50/00/593605000.db2.gz SQYCNUZKCGENAQ-GFCCVEGCSA-N 1 0 346.387 1.848 20 10 EDCDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817587165 593614684 /nfs/dbraw/zinc/61/46/84/593614684.db2.gz VMDWXFCQQVWOBX-CYBMUJFWSA-N 1 0 335.423 1.969 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(N(C)C)cc1 ZINC000817910658 593647886 /nfs/dbraw/zinc/64/78/86/593647886.db2.gz XQLLVUWFNHWDCU-CQSZACIVSA-N 1 0 344.459 1.284 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945501 593651008 /nfs/dbraw/zinc/65/10/08/593651008.db2.gz FDGJOCZBFQYCDU-SNVBAGLBSA-N 1 0 331.338 1.493 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000817975301 593653122 /nfs/dbraw/zinc/65/31/22/593653122.db2.gz SWXNPOFKABCYDR-HNNXBMFYSA-N 1 0 347.459 1.589 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000818654637 593710471 /nfs/dbraw/zinc/71/04/71/593710471.db2.gz DFQQHONXMVFGMJ-HOTGVXAUSA-N 1 0 346.475 1.820 20 10 EDCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966377 593730924 /nfs/dbraw/zinc/73/09/24/593730924.db2.gz JTVQTXMGATWBJS-UMVBOHGHSA-N 1 0 326.412 1.536 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC3(C)CC3)CC2)cc1 ZINC000819129466 593740363 /nfs/dbraw/zinc/74/03/63/593740363.db2.gz JMHZJUFAXVHBIF-KRWDZBQOSA-N 1 0 333.476 1.568 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000819167484 593742318 /nfs/dbraw/zinc/74/23/18/593742318.db2.gz BMFISRGHMLHINQ-OAHLLOKOSA-N 1 0 329.400 1.641 20 10 EDCDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825785038 594246083 /nfs/dbraw/zinc/24/60/83/594246083.db2.gz TZGWFMZBLHCNFO-UHFFFAOYSA-N 1 0 349.250 1.325 20 10 EDCDRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827321611 594660994 /nfs/dbraw/zinc/66/09/94/594660994.db2.gz ZSUONHGYJPTVIY-CYBMUJFWSA-N 1 0 329.416 1.839 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000827340532 594662698 /nfs/dbraw/zinc/66/26/98/594662698.db2.gz FLIVFAQTJITZRS-UHFFFAOYSA-N 1 0 344.463 1.793 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000831749093 594699033 /nfs/dbraw/zinc/69/90/33/594699033.db2.gz XXFQIFMBWNVWBP-YOEHRIQHSA-N 1 0 333.432 1.016 20 10 EDCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000832073222 594724065 /nfs/dbraw/zinc/72/40/65/594724065.db2.gz XQTLCVXTSVFGPG-SJORKVTESA-N 1 0 347.459 1.690 20 10 EDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c(O)c1 ZINC000840897332 594825018 /nfs/dbraw/zinc/82/50/18/594825018.db2.gz ROQNUBNAISTHND-ZDUSSCGKSA-N 1 0 331.420 1.830 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000840950289 594831591 /nfs/dbraw/zinc/83/15/91/594831591.db2.gz MCKDKNWSQPRIED-MRXNPFEDSA-N 1 0 325.478 1.527 20 10 EDCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000840958597 594832625 /nfs/dbraw/zinc/83/26/25/594832625.db2.gz QOHGYRVKECUQEM-QGZVFWFLSA-N 1 0 347.459 1.060 20 10 EDCDRO [NH3+]C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000841706431 594940863 /nfs/dbraw/zinc/94/08/63/594940863.db2.gz GFPRHLDWLYOIQH-INIZCTEOSA-N 1 0 334.489 1.776 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@H]1CCC[NH2+]1 ZINC000841711434 594941720 /nfs/dbraw/zinc/94/17/20/594941720.db2.gz CAUNQPWJIOPEAK-CQSZACIVSA-N 1 0 336.411 1.214 20 10 EDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCC[NH2+]C1 ZINC000841713272 594942189 /nfs/dbraw/zinc/94/21/89/594942189.db2.gz XDSGUHZPJFAGSP-AWEZNQCLSA-N 1 0 336.411 1.214 20 10 EDCDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000841729079 594944473 /nfs/dbraw/zinc/94/44/73/594944473.db2.gz AZELYAWPQPVGMF-DOTOQJQBSA-N 1 0 346.475 1.792 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000841779382 594951226 /nfs/dbraw/zinc/95/12/26/594951226.db2.gz RFXQSOQHEZAHGR-KRWDZBQOSA-N 1 0 332.448 1.701 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000836471826 594966475 /nfs/dbraw/zinc/96/64/75/594966475.db2.gz BDBCTZZJKWOPCO-CYBMUJFWSA-N 1 0 337.420 1.483 20 10 EDCDRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000842037120 595006761 /nfs/dbraw/zinc/00/67/61/595006761.db2.gz VOEHXYBRHQUSRD-UHFFFAOYSA-N 1 0 346.475 1.217 20 10 EDCDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000842072898 595013502 /nfs/dbraw/zinc/01/35/02/595013502.db2.gz PVLBCHFZUHWHRW-HNNXBMFYSA-N 1 0 348.491 1.176 20 10 EDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCCC[C@H]3C[NH3+])ccc21 ZINC000842150432 595023926 /nfs/dbraw/zinc/02/39/26/595023926.db2.gz SEDFUTIEMUWKTJ-INIZCTEOSA-N 1 0 344.459 1.025 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000842154427 595024735 /nfs/dbraw/zinc/02/47/35/595024735.db2.gz TUZDJEVGDSOZAM-UHFFFAOYSA-N 1 0 332.448 1.017 20 10 EDCDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170118 595028392 /nfs/dbraw/zinc/02/83/92/595028392.db2.gz CDUNZXFXSOTEFW-CVEARBPZSA-N 1 0 342.443 1.065 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N(C)C1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000842203082 595037209 /nfs/dbraw/zinc/03/72/09/595037209.db2.gz OJYFLKUVSHWLKB-BZOOQXSSSA-N 1 0 346.475 1.658 20 10 EDCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203695 595037492 /nfs/dbraw/zinc/03/74/92/595037492.db2.gz WHAMVDBBMWLFNG-UONOGXRCSA-N 1 0 332.448 1.046 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000842229736 595045450 /nfs/dbraw/zinc/04/54/50/595045450.db2.gz MSAPTYCVLZWLOH-HOTGVXAUSA-N 1 0 347.459 1.907 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000842252531 595055701 /nfs/dbraw/zinc/05/57/01/595055701.db2.gz BXFNHXYYSRSIIV-CQSZACIVSA-N 1 0 334.464 1.345 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000842258799 595058035 /nfs/dbraw/zinc/05/80/35/595058035.db2.gz LPWWUKNZLNMWBD-NVXWUHKLSA-N 1 0 346.475 1.345 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842274287 595062955 /nfs/dbraw/zinc/06/29/55/595062955.db2.gz KISJVICSBMVBMC-JKSUJKDBSA-N 1 0 346.475 1.345 20 10 EDCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843429428 595108322 /nfs/dbraw/zinc/10/83/22/595108322.db2.gz VNGAXGLKUBJMED-MOEXGYKKSA-N 1 0 330.476 1.818 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000843489222 595127286 /nfs/dbraw/zinc/12/72/86/595127286.db2.gz JEPJOTBRQTVVBB-GXFFZTMASA-N 1 0 340.807 1.545 20 10 EDCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000842640580 595153620 /nfs/dbraw/zinc/15/36/20/595153620.db2.gz AGZGHMRYDGLBDT-CQSZACIVSA-N 1 0 346.305 1.621 20 10 EDCDRO CCN1C(=O)[C@H]2C[N@H+](C/C=C\c3ccc(N(C)C)cc3)CCN2C1=O ZINC000835027974 595247738 /nfs/dbraw/zinc/24/77/38/595247738.db2.gz FRMOZULLIRHHTM-KEGWNNHHSA-N 1 0 342.443 1.734 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000835053495 595254072 /nfs/dbraw/zinc/25/40/72/595254072.db2.gz NKYLHMMYQRXZSL-ONEGZZNKSA-N 1 0 342.443 1.876 20 10 EDCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1O ZINC000843065899 595279234 /nfs/dbraw/zinc/27/92/34/595279234.db2.gz RBNASCJFOIMNSU-OAHLLOKOSA-N 1 0 337.851 1.750 20 10 EDCDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844222509 595307036 /nfs/dbraw/zinc/30/70/36/595307036.db2.gz DSFMLWAQEPQRIB-GOSISDBHSA-N 1 0 332.492 1.785 20 10 EDCDRO C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225988 595309816 /nfs/dbraw/zinc/30/98/16/595309816.db2.gz KGZUWCNJHRNPJF-DOTOQJQBSA-N 1 0 332.492 1.628 20 10 EDCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1O ZINC000848553450 595405258 /nfs/dbraw/zinc/40/52/58/595405258.db2.gz SVHGCFGBLCPKIZ-IUCAKERBSA-N 1 0 343.221 1.950 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1F ZINC000847557632 595446885 /nfs/dbraw/zinc/44/68/85/595446885.db2.gz UJESHIFFMUAAET-AWEZNQCLSA-N 1 0 335.423 1.825 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=[NH2+])NCCC(C)C)CC2)cc1 ZINC000849066673 595477515 /nfs/dbraw/zinc/47/75/15/595477515.db2.gz MJPSKXKBXUWBAY-UHFFFAOYSA-N 1 0 347.507 1.977 20 10 EDCDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868731 595588584 /nfs/dbraw/zinc/58/85/84/595588584.db2.gz LMZMBUNZUOQICI-SFHVURJKSA-N 1 0 347.459 1.033 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]CCC(=O)N2CCOCC2)cc1F ZINC000858102870 595700702 /nfs/dbraw/zinc/70/07/02/595700702.db2.gz GDJPRKDSZZDLKD-UHFFFAOYSA-N 1 0 327.375 1.369 20 10 EDCDRO CC[C@H]1C[C@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850091156 595735741 /nfs/dbraw/zinc/73/57/41/595735741.db2.gz ZEVHKMBXZLJJLJ-WMZOPIPTSA-N 1 0 333.476 1.974 20 10 EDCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000850360404 595818016 /nfs/dbraw/zinc/81/80/16/595818016.db2.gz DUEWSXHHANQULA-WMZOPIPTSA-N 1 0 347.436 1.961 20 10 EDCDRO COc1cccc(O)c1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850363849 595819047 /nfs/dbraw/zinc/81/90/47/595819047.db2.gz KUSAGRLFZGSGCS-UHFFFAOYSA-N 1 0 327.324 1.468 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000851661444 595873192 /nfs/dbraw/zinc/87/31/92/595873192.db2.gz JTXQCNKNUDFFIR-OAGGEKHMSA-N 1 0 346.475 1.961 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000851665776 595875280 /nfs/dbraw/zinc/87/52/80/595875280.db2.gz CSOIGYVGKYCJOT-XVTSOASTSA-N 1 0 344.459 1.654 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC3=CC[NH2+]CC3)C2)cc1 ZINC000851666531 595876202 /nfs/dbraw/zinc/87/62/02/595876202.db2.gz HQDHBEDYDLEDTK-MRXNPFEDSA-N 1 0 344.459 1.883 20 10 EDCDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851669215 595878252 /nfs/dbraw/zinc/87/82/52/595878252.db2.gz YEBDYOLEOKTNLA-HNNXBMFYSA-N 1 0 348.491 1.964 20 10 EDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1[NH3+] ZINC000851679588 595882128 /nfs/dbraw/zinc/88/21/28/595882128.db2.gz DIABQAVQHFZTNY-RDTXWAMCSA-N 1 0 346.475 1.526 20 10 EDCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851680957 595882982 /nfs/dbraw/zinc/88/29/82/595882982.db2.gz LTOACVJXLWUBDV-GDBMZVCRSA-N 1 0 346.475 1.526 20 10 EDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851682832 595883493 /nfs/dbraw/zinc/88/34/93/595883493.db2.gz XWMKKMABPCCPED-KRWDZBQOSA-N 1 0 346.475 1.541 20 10 EDCDRO CCOC(=O)C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000859190409 595999365 /nfs/dbraw/zinc/99/93/65/595999365.db2.gz JXULWYOIPXFTBA-CVEARBPZSA-N 1 0 337.416 1.687 20 10 EDCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc(OC)c3O)C2)n1 ZINC000856593233 596026888 /nfs/dbraw/zinc/02/68/88/596026888.db2.gz QMGQJDZLRKRZJN-SFHVURJKSA-N 1 0 347.415 1.916 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000852186401 596076664 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Nc1ncc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(N)n1 ZINC000876943619 597391880 /nfs/dbraw/zinc/39/18/80/597391880.db2.gz SSRVKKJKQZGKNO-UHFFFAOYSA-N 1 0 330.461 1.484 20 10 EDCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876950181 597393777 /nfs/dbraw/zinc/39/37/77/597393777.db2.gz HLVPQVNFSNFRBN-OAHLLOKOSA-N 1 0 331.460 1.748 20 10 EDCDRO COC[C@]1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCCC[NH2+]1 ZINC000876949241 597393792 /nfs/dbraw/zinc/39/37/92/597393792.db2.gz PMKZSOZKPJBFKQ-IBGZPJMESA-N 1 0 349.475 1.749 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)C2)cc1 ZINC000876959351 597397632 /nfs/dbraw/zinc/39/76/32/597397632.db2.gz JXHREXXYLGXLQR-YJLNNSPDSA-N 1 0 329.444 1.922 20 10 EDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876975094 597402801 /nfs/dbraw/zinc/40/28/01/597402801.db2.gz BZWTXMGZFVFRCX-CUKLOCQMSA-N 1 0 343.471 1.676 20 10 EDCDRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877023261 597414643 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COc1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881851681 597754501 /nfs/dbraw/zinc/75/45/01/597754501.db2.gz OMLDTJPICCDZPD-UHFFFAOYSA-N 1 0 341.415 1.167 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@](C)(O)C3CC3)cc2)CC1 ZINC000881852252 597754553 /nfs/dbraw/zinc/75/45/53/597754553.db2.gz JIDTZOAQWJDMBQ-LJQANCHMSA-N 1 0 331.460 1.606 20 10 EDCDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)n1 ZINC000881852542 597755373 /nfs/dbraw/zinc/75/53/73/597755373.db2.gz VCXDEWAFHHGNFM-UHFFFAOYSA-N 1 0 339.443 1.775 20 10 EDCDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCN1c1cc[nH+]cc1 ZINC000883615914 597830392 /nfs/dbraw/zinc/83/03/92/597830392.db2.gz VKODPGFBPQOFSF-ZDUSSCGKSA-N 1 0 339.399 1.340 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880132929 597850769 /nfs/dbraw/zinc/85/07/69/597850769.db2.gz RCXLMWQNCRXBTL-RTBURBONSA-N 1 0 344.503 1.880 20 10 EDCDRO COCC[C@H](C)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883743580 597883939 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C[C@@H](CNC(=O)NCc1c(O)cccc1F)C[NH+]1CCN(C)CC1 ZINC000920451773 697432366 /nfs/dbraw/zinc/43/23/66/697432366.db2.gz PPSXSEGLLJLJII-ZDUSSCGKSA-N 1 0 338.427 1.214 20 10 EDCDRO CO[C@@H](C)C[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032219073 704621197 /nfs/dbraw/zinc/62/11/97/704621197.db2.gz LZAVIESMLNTBEO-NSHDSACASA-N 1 0 333.392 1.546 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1C ZINC000999956357 707616810 /nfs/dbraw/zinc/61/68/10/707616810.db2.gz MXPRXVUISUXSCQ-IMBTUZDBSA-N 1 0 344.455 1.977 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cnnn2C)cc1C ZINC001034925830 711390588 /nfs/dbraw/zinc/39/05/88/711390588.db2.gz RHXAZJIBHVKXLN-OAHLLOKOSA-N 1 0 343.431 1.527 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000093013929 529780302 /nfs/dbraw/zinc/78/03/02/529780302.db2.gz UNXFMRLVOYINCR-SFHVURJKSA-N 1 0 331.460 1.966 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000108864917 529780613 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COc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000093014701 533476708 /nfs/dbraw/zinc/47/67/08/533476708.db2.gz SMUJXGGZYCOKMP-HNNXBMFYSA-N 1 0 334.416 1.614 20 10 EDCDRO COc1cc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1OC ZINC000284434971 295027177 /nfs/dbraw/zinc/02/71/77/295027177.db2.gz DLJPTBCHYPYKFK-ZIAGYGMSSA-N 1 0 337.376 1.521 20 10 EDCDRO COc1ccc(N2CCC([N@H+](C)CCC(=O)NC(N)=O)CC2)cc1 ZINC000072801205 441261076 /nfs/dbraw/zinc/26/10/76/441261076.db2.gz NFZWQLITXVQAPI-UHFFFAOYSA-N 1 0 334.420 1.181 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1F ZINC000084814908 441423308 /nfs/dbraw/zinc/42/33/08/441423308.db2.gz FBKVGFARPCFPSK-UHFFFAOYSA-N 1 0 335.423 1.825 20 10 EDCDRO CSCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000163884417 442184815 /nfs/dbraw/zinc/18/48/15/442184815.db2.gz KJVHPMVLMXBCGR-INIZCTEOSA-N 1 0 337.489 1.562 20 10 EDCDRO O=C(CC1CC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000165417429 442209334 /nfs/dbraw/zinc/20/93/34/442209334.db2.gz 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O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC000272093632 443525313 /nfs/dbraw/zinc/52/53/13/443525313.db2.gz UBHUFYKQZQDTOA-RDJZCZTQSA-N 1 0 337.441 1.447 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000279352733 443563404 /nfs/dbraw/zinc/56/34/04/443563404.db2.gz GHRIYXYCVYBOLS-CQSZACIVSA-N 1 0 340.445 1.401 20 10 EDCDRO CCCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(O)c1 ZINC000273780704 443585941 /nfs/dbraw/zinc/58/59/41/443585941.db2.gz SMKAMZNTNOCUPW-UHFFFAOYSA-N 1 0 333.388 1.355 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275644683 443635353 /nfs/dbraw/zinc/63/53/53/443635353.db2.gz KGXWKWPAYDSAFZ-CQSZACIVSA-N 1 0 343.431 1.479 20 10 EDCDRO O=S1(=O)CC[C@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000280027548 443658856 /nfs/dbraw/zinc/65/88/56/443658856.db2.gz NBOZURQXMZRURF-GDBMZVCRSA-N 1 0 339.457 1.808 20 10 EDCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298603833 443814161 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EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccn(C)c2=O)[NH+](C)C)cc1 ZINC000891252447 591020249 /nfs/dbraw/zinc/02/02/49/591020249.db2.gz LTEWQWFFRNGLNY-QGZVFWFLSA-N 1 0 342.443 1.484 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC000891253383 591021075 /nfs/dbraw/zinc/02/10/75/591021075.db2.gz RZIUFRQACGBUTR-QGZVFWFLSA-N 1 0 329.448 1.448 20 10 EDCDRO Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C ZINC000891256289 591022601 /nfs/dbraw/zinc/02/26/01/591022601.db2.gz XCOAHWYAZHKNLW-QGZVFWFLSA-N 1 0 329.448 1.827 20 10 EDCDRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000891370000 591064684 /nfs/dbraw/zinc/06/46/84/591064684.db2.gz UNSIFDLGZSYHDX-GASCZTMLSA-N 1 0 334.489 1.776 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCN(c3nc(N)ns3)CC2)c1O ZINC000894088992 591189493 /nfs/dbraw/zinc/18/94/93/591189493.db2.gz NQVCAICOKBFWOV-UHFFFAOYSA-N 1 0 335.433 1.465 20 10 EDCDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H]1CCCOC1 ZINC000896063710 591334423 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C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000841715870 594942491 /nfs/dbraw/zinc/94/24/91/594942491.db2.gz FHMCWYNUEGTCAM-CABCVRRESA-N 1 0 334.464 1.349 20 10 EDCDRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841740947 594946102 /nfs/dbraw/zinc/94/61/02/594946102.db2.gz LHKOKTWQNHZTKH-GDBMZVCRSA-N 1 0 332.448 1.635 20 10 EDCDRO CC[NH2+]CCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742626 594946603 /nfs/dbraw/zinc/94/66/03/594946603.db2.gz YOLDEWRNDOMMMN-HNNXBMFYSA-N 1 0 334.464 1.883 20 10 EDCDRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCCO1 ZINC000841832771 594959581 /nfs/dbraw/zinc/95/95/81/594959581.db2.gz SJVOXILDQOSMBE-QGZVFWFLSA-N 1 0 330.432 1.322 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NCC3=CC[NH2+]CC3)CC2)cc1F ZINC000841971930 594992672 /nfs/dbraw/zinc/99/26/72/594992672.db2.gz PLPNESWWKASHTQ-UHFFFAOYSA-N 1 0 348.422 1.586 20 10 EDCDRO O=C(NC[C@@H]1C[NH2+]CCO1)N(Cc1ccco1)Cc1ccccc1O ZINC000842011956 595002427 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COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000843384206 595095916 /nfs/dbraw/zinc/09/59/16/595095916.db2.gz MADIJYHUJXCSNY-AWEZNQCLSA-N 1 0 340.807 1.585 20 10 EDCDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843429427 595108861 /nfs/dbraw/zinc/10/88/61/595108861.db2.gz VNGAXGLKUBJMED-FYCOFBDGSA-N 1 0 330.476 1.818 20 10 EDCDRO O=C(CO[C@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843486587 595126640 /nfs/dbraw/zinc/12/66/40/595126640.db2.gz UWZATOGOLUTALK-IRXDYDNUSA-N 1 0 348.443 1.668 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CO[C@H](C)C3)CC2)cc1 ZINC000842659921 595162341 /nfs/dbraw/zinc/16/23/41/595162341.db2.gz FGEYQHYQXLMKET-SJORKVTESA-N 1 0 333.476 1.974 20 10 EDCDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000834889263 595237001 /nfs/dbraw/zinc/23/70/01/595237001.db2.gz HDKGVVUSVXASGW-DZGCQCFKSA-N 1 0 335.423 1.934 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834907557 595238120 /nfs/dbraw/zinc/23/81/20/595238120.db2.gz WPPXSURTNQTFPT-VHDGCEQUSA-N 1 0 335.423 1.967 20 10 EDCDRO CCN(CC)c1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000843046893 595273173 /nfs/dbraw/zinc/27/31/73/595273173.db2.gz HUSBUDIIDONWOM-UHFFFAOYSA-N 1 0 336.455 1.536 20 10 EDCDRO COc1c(O)c(CN2CC[NH2+]C[C@@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000843120495 595292057 /nfs/dbraw/zinc/29/20/57/595292057.db2.gz NOZITDJOFSGAIL-OAHLLOKOSA-N 1 0 344.371 1.851 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000844225789 595309664 /nfs/dbraw/zinc/30/96/64/595309664.db2.gz UZVSXFXDUCLFAT-MOPGFXCFSA-N 1 0 344.503 1.975 20 10 EDCDRO CCc1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000848917419 595467240 /nfs/dbraw/zinc/46/72/40/595467240.db2.gz SUELVLLAGSVYQE-UHFFFAOYSA-N 1 0 334.460 1.926 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=S)NC3CC[NH+](C)CC3)C2)cc1 ZINC000849270318 595499196 /nfs/dbraw/zinc/49/91/96/595499196.db2.gz BKNZBUZTYQJEBU-HNNXBMFYSA-N 1 0 348.516 1.832 20 10 EDCDRO Cc1cc(CS(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000850586756 595538941 /nfs/dbraw/zinc/53/89/41/595538941.db2.gz FKHVKJNSSZMODE-HNNXBMFYSA-N 1 0 338.433 1.168 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(C3CC3)cnn2C)cc1 ZINC000852792434 595544985 /nfs/dbraw/zinc/54/49/85/595544985.db2.gz WBYFQKBFXIQUCM-MRXNPFEDSA-N 1 0 327.432 1.793 20 10 EDCDRO Nc1ccc(CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852795809 595547170 /nfs/dbraw/zinc/54/71/70/595547170.db2.gz LJGWHPLCPMWLII-OAHLLOKOSA-N 1 0 328.420 1.147 20 10 EDCDRO CC(=O)C(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000860425285 595681409 /nfs/dbraw/zinc/68/14/09/595681409.db2.gz CSRFBVZPIVQUHS-INIZCTEOSA-N 1 0 329.396 1.990 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCCC[NH2+]C(C)C)C2)cc1 ZINC000851662092 595873903 /nfs/dbraw/zinc/87/39/03/595873903.db2.gz URACKWSKBHTQAL-HNNXBMFYSA-N 1 0 334.464 1.961 20 10 EDCDRO CO[C@]1(CO)CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000852411039 596150414 /nfs/dbraw/zinc/15/04/14/596150414.db2.gz HIQWWNDDOBFOSG-LJQANCHMSA-N 1 0 349.475 1.184 20 10 EDCDRO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1CCO ZINC000852456850 596170549 /nfs/dbraw/zinc/17/05/49/596170549.db2.gz LXKFJDMBNFZDGC-YJBOKZPZSA-N 1 0 333.476 1.852 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)cc2=O ZINC000859827995 596203844 /nfs/dbraw/zinc/20/38/44/596203844.db2.gz VMKPJVUPPFZVBN-DDIVZENXSA-N 1 0 348.403 1.513 20 10 EDCDRO COc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC000852640014 596216645 /nfs/dbraw/zinc/21/66/45/596216645.db2.gz YRMNOSDERBHJEP-OAHLLOKOSA-N 1 0 349.431 1.453 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717091 596308229 /nfs/dbraw/zinc/30/82/29/596308229.db2.gz VNEGXBZWKSUDEN-PKOBYXMFSA-N 1 0 344.503 1.785 20 10 EDCDRO COCCN(CC1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000869762307 596620847 /nfs/dbraw/zinc/62/08/47/596620847.db2.gz NCOIJENFAYDJTD-XQRVVYSFSA-N 1 0 348.443 1.928 20 10 EDCDRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000863751325 596673380 /nfs/dbraw/zinc/67/33/80/596673380.db2.gz GVTKRUXQUVRGOZ-UHFFFAOYSA-N 1 0 334.464 1.297 20 10 EDCDRO C[C@@H](NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1O ZINC000868310717 596783409 /nfs/dbraw/zinc/78/34/09/596783409.db2.gz WAYUTKLHUIJABX-GFCCVEGCSA-N 1 0 339.395 1.854 20 10 EDCDRO COCC[NH+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000123000456 596791509 /nfs/dbraw/zinc/79/15/09/596791509.db2.gz KYDZUOBNMBAYNI-UHFFFAOYSA-N 1 0 337.439 1.426 20 10 EDCDRO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000872200088 596832488 /nfs/dbraw/zinc/83/24/88/596832488.db2.gz SXLWZWPAJZKZDF-OALUTQOASA-N 1 0 334.460 1.525 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc1Cl ZINC000872261372 596858964 /nfs/dbraw/zinc/85/89/64/596858964.db2.gz NVBFDHYKUMVNBQ-HNNXBMFYSA-N 1 0 326.780 1.665 20 10 EDCDRO O=C1OC[C@@]2(C[NH2+]Cc3ccc4ccccc4c3O)COCCN12 ZINC000872261134 596859138 /nfs/dbraw/zinc/85/91/38/596859138.db2.gz JKULCVPVZQUNBE-GOSISDBHSA-N 1 0 328.368 1.856 20 10 EDCDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2c(C)cccc2O)C1 ZINC000876677739 597285219 /nfs/dbraw/zinc/28/52/19/597285219.db2.gz CLGAGPIOJXQKBC-OAHLLOKOSA-N 1 0 348.443 1.934 20 10 EDCDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876729659 597309645 /nfs/dbraw/zinc/30/96/45/597309645.db2.gz TUMKSXJFPVYZTP-ZWKOTPCHSA-N 1 0 345.487 1.885 20 10 EDCDRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876873025 597363907 /nfs/dbraw/zinc/36/39/07/597363907.db2.gz UHOMYAOFSVDJMD-UKPHBRMFSA-N 1 0 336.407 1.847 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+]CCc3nnc4n3CCC4)cc2)CC1 ZINC000876921485 597385878 /nfs/dbraw/zinc/38/58/78/597385878.db2.gz DXNZYVNUEPJBPM-UHFFFAOYSA-N 1 0 341.459 1.518 20 10 EDCDRO CC[C@](C)(C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)OC ZINC000877031227 597417514 /nfs/dbraw/zinc/41/75/14/597417514.db2.gz RXZCVUJHCPBDJY-QGZVFWFLSA-N 1 0 340.489 1.826 20 10 EDCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C(N)=O)C1 ZINC000877436335 597514926 /nfs/dbraw/zinc/51/49/26/597514926.db2.gz FMYRTLPUVQAVAH-KSSFIOAISA-N 1 0 331.460 1.734 20 10 EDCDRO CO[C@@]1(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCOC1 ZINC000877582268 597538410 /nfs/dbraw/zinc/53/84/10/597538410.db2.gz OYGNMLSDQICVMC-QGZVFWFLSA-N 1 0 342.386 1.697 20 10 EDCDRO COc1cc(Cl)cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1O ZINC000877668603 597546345 /nfs/dbraw/zinc/54/63/45/597546345.db2.gz SAOXRVQXNDJKFK-HOTGVXAUSA-N 1 0 338.791 1.539 20 10 EDCDRO CC(C)[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000879601983 597653561 /nfs/dbraw/zinc/65/35/61/597653561.db2.gz ZWYQIFADTRMRLU-GOSISDBHSA-N 1 0 332.492 1.641 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3ncc[nH]3)cc2)CC1 ZINC000881853760 597755733 /nfs/dbraw/zinc/75/57/33/597755733.db2.gz JTOYJVJADAXRRV-UHFFFAOYSA-N 1 0 327.432 1.411 20 10 EDCDRO COC(=O)CCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853628 597755864 /nfs/dbraw/zinc/75/58/64/597755864.db2.gz CVZVVDSTNXNBCP-UHFFFAOYSA-N 1 0 347.459 1.788 20 10 EDCDRO C[C@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883650577 597847281 /nfs/dbraw/zinc/84/72/81/597847281.db2.gz KZNXMBGWUAGTTP-MAUKXSAKSA-N 1 0 346.475 1.663 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COCc2ccccn2)cc1 ZINC000884010974 597967817 /nfs/dbraw/zinc/96/78/17/597967817.db2.gz PRUYVUOFHNUCTC-KRWDZBQOSA-N 1 0 328.416 1.480 20 10 EDCDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400221 695388489 /nfs/dbraw/zinc/38/84/89/695388489.db2.gz FQNCTCWCHCBFMK-PBHICJAKSA-N 1 0 332.448 1.588 20 10 EDCDRO CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]Cc1ccccc1O ZINC000922765357 704323465 /nfs/dbraw/zinc/32/34/65/704323465.db2.gz YVJATXQPPFPHAE-UHFFFAOYSA-N 1 0 341.411 1.257 20 10 EDCDRO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000702847703 709918968 /nfs/dbraw/zinc/91/89/68/709918968.db2.gz VFTBTKDPOJBKNN-HOTGVXAUSA-N 1 0 348.443 1.939 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000106380089 237091055 /nfs/dbraw/zinc/09/10/55/237091055.db2.gz YKCBLNRKAAAVSF-LJQANCHMSA-N 1 0 331.460 1.476 20 10 EDCDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000176982107 237365196 /nfs/dbraw/zinc/36/51/96/237365196.db2.gz VOZSITGNLDEXBI-LLVKDONJSA-N 1 0 330.425 1.996 20 10 EDCDRO C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218834 /nfs/dbraw/zinc/21/88/34/250218834.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 1 0 346.519 1.589 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCN(C3(C(N)=O)CCCC3)CC2)c1 ZINC000372589728 250222853 /nfs/dbraw/zinc/22/28/53/250222853.db2.gz DJRPKWGGZUWFPW-CQSZACIVSA-N 1 0 347.459 1.878 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1 ZINC000370374677 250205757 /nfs/dbraw/zinc/20/57/57/250205757.db2.gz OFKDPQIETOXJJH-LLVKDONJSA-N 1 0 332.408 1.244 20 10 EDCDRO CCCn1nc2c(cc1=O)C[N@@H+](Cc1cc(OC)ccc1O)CC2 ZINC000375012580 250277044 /nfs/dbraw/zinc/27/70/44/250277044.db2.gz LXEYNENYVPYIRC-UHFFFAOYSA-N 1 0 329.400 1.926 20 10 EDCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C[C@H]1C ZINC000372445221 278398181 /nfs/dbraw/zinc/39/81/81/278398181.db2.gz FEYOEZXYVBRLPP-HUUCEWRRSA-N 1 0 346.475 1.275 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)cc1F ZINC000178867925 442507834 /nfs/dbraw/zinc/50/78/34/442507834.db2.gz NUAWHWDSCKUEHF-INIZCTEOSA-N 1 0 325.359 1.185 20 10 EDCDRO Cc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(O)c1O ZINC000179536468 442472784 /nfs/dbraw/zinc/47/27/84/442472784.db2.gz UBBJAZVRPCRICB-UHFFFAOYSA-N 1 0 336.432 1.979 20 10 EDCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180136545 442546635 /nfs/dbraw/zinc/54/66/35/442546635.db2.gz XSDIYYNKDUWFJJ-UHFFFAOYSA-N 1 0 330.425 1.777 20 10 EDCDRO COc1cc(O)c(CN2CC[NH+](CCOC(C)C)CC2)cc1OC ZINC000180375366 442589502 /nfs/dbraw/zinc/58/95/02/442589502.db2.gz AGMBAPZAPRZQTJ-UHFFFAOYSA-N 1 0 338.448 1.952 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)O)cc2F)CC1 ZINC000192444255 442647140 /nfs/dbraw/zinc/64/71/40/442647140.db2.gz PDHFNIGZLNCRAL-ZDUSSCGKSA-N 1 0 338.427 1.148 20 10 EDCDRO CN1CCC([NH+]2CCC(NC(=O)c3cccc(O)c3O)CC2)CC1 ZINC000192993992 442704069 /nfs/dbraw/zinc/70/40/69/442704069.db2.gz MDNBUDGHAFMINS-UHFFFAOYSA-N 1 0 333.432 1.386 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)O)C3)CC2)cc1 ZINC000183162428 442891984 /nfs/dbraw/zinc/89/19/84/442891984.db2.gz BNRQRNUKIGCKCM-JKSUJKDBSA-N 1 0 347.459 1.047 20 10 EDCDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(O)c1O ZINC000189920423 443029390 /nfs/dbraw/zinc/02/93/90/443029390.db2.gz ZAVWOMPKCJWTRV-HNNXBMFYSA-N 1 0 342.395 1.594 20 10 EDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000186063472 443305099 /nfs/dbraw/zinc/30/50/99/443305099.db2.gz MFJYQTFVUSEQGZ-HZPDHXFCSA-N 1 0 347.459 1.284 20 10 EDCDRO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278468449 443340975 /nfs/dbraw/zinc/34/09/75/443340975.db2.gz GQKHLMDYCCUFDT-ZDUSSCGKSA-N 1 0 341.408 1.755 20 10 EDCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000278687066 443403230 /nfs/dbraw/zinc/40/32/30/443403230.db2.gz OWDBMTGYZOFELF-HUUCEWRRSA-N 1 0 334.464 1.349 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCCCO)cc2=O ZINC000278819371 443452069 /nfs/dbraw/zinc/45/20/69/443452069.db2.gz HJWOSNSHGPPWGP-UHFFFAOYSA-N 1 0 336.392 1.206 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000267681230 443539337 /nfs/dbraw/zinc/53/93/37/443539337.db2.gz QQWDSESPTBXBAQ-KRWDZBQOSA-N 1 0 333.432 1.065 20 10 EDCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000279407832 443579585 /nfs/dbraw/zinc/57/95/85/443579585.db2.gz LQXXNCOHLHFOMS-HNNXBMFYSA-N 1 0 339.779 1.228 20 10 EDCDRO COc1cccc(C[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)c1O ZINC000275574654 443631712 /nfs/dbraw/zinc/63/17/12/443631712.db2.gz OPDCTSZLKIMARI-CQSZACIVSA-N 1 0 344.415 1.253 20 10 EDCDRO O=C(c1c(F)ccc(O)c1O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000276519512 443732072 /nfs/dbraw/zinc/73/20/72/443732072.db2.gz GGPZZIAZDKIBEP-UHFFFAOYSA-N 1 0 338.379 1.421 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000298626629 443821385 /nfs/dbraw/zinc/82/13/85/443821385.db2.gz JLTUBTQUMHDOTO-HNNXBMFYSA-N 1 0 333.432 1.293 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000298635312 443824349 /nfs/dbraw/zinc/82/43/49/443824349.db2.gz KHKFWVMMKMNTFC-ZBFHGGJFSA-N 1 0 347.459 1.539 20 10 EDCDRO Cc1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)ccc1N(C)C ZINC000293681840 444084002 /nfs/dbraw/zinc/08/40/02/444084002.db2.gz VQWZXPKWZPITIV-UHFFFAOYSA-N 1 0 339.505 1.822 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289268539 444092351 /nfs/dbraw/zinc/09/23/51/444092351.db2.gz GCMZEYPWYGXIJY-YVEFUNNKSA-N 1 0 333.388 1.353 20 10 EDCDRO OCC1([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C2CC2)CCOCC1 ZINC000293959480 444097910 /nfs/dbraw/zinc/09/79/10/444097910.db2.gz JIQSJQQGDQSVKU-KRWDZBQOSA-N 1 0 335.400 1.778 20 10 EDCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295170296 444167863 /nfs/dbraw/zinc/16/78/63/444167863.db2.gz UENCQKQZPRFVBL-ZDUSSCGKSA-N 1 0 328.384 1.849 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](O)[C@H]3C)CC2)cc1 ZINC000296326556 444220669 /nfs/dbraw/zinc/22/06/69/444220669.db2.gz QMADNGQZSHVHIC-QAPCUYQASA-N 1 0 347.459 1.189 20 10 EDCDRO COC(=O)[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1(C)C ZINC000364764355 445952090 /nfs/dbraw/zinc/95/20/90/445952090.db2.gz MBHDHNGXRHHHNZ-MRXNPFEDSA-N 1 0 347.459 1.500 20 10 EDCDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)c1ccc[nH]1 ZINC000365103858 446026938 /nfs/dbraw/zinc/02/69/38/446026938.db2.gz DLKCAKLFJAVBOS-UHFFFAOYSA-N 1 0 343.383 1.843 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000376621964 446610343 /nfs/dbraw/zinc/61/03/43/446610343.db2.gz WNVOFRBKYPYEIL-UHFFFAOYSA-N 1 0 340.445 1.401 20 10 EDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368145561 446667959 /nfs/dbraw/zinc/66/79/59/446667959.db2.gz GZMGWNBLXKOAQT-PXPSOEEZSA-N 1 0 341.455 1.795 20 10 EDCDRO COC(=O)CN1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000368625047 446988304 /nfs/dbraw/zinc/98/83/04/446988304.db2.gz OMXYJPODPDHSHM-UHFFFAOYSA-N 1 0 342.823 1.735 20 10 EDCDRO COCC[N@H+](C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471809729 447814336 /nfs/dbraw/zinc/81/43/36/447814336.db2.gz MLWFLRKIZDQCMO-UHFFFAOYSA-N 1 0 332.448 1.864 20 10 EDCDRO CCCOc1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(O)c1 ZINC000093756609 528664855 /nfs/dbraw/zinc/66/48/55/528664855.db2.gz FJWXDRUNQNSPAZ-UHFFFAOYSA-N 1 0 329.400 1.833 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](CCO)C3)CC2)cc1 ZINC000741800662 579429297 /nfs/dbraw/zinc/42/92/97/579429297.db2.gz ZNASSXMZVRBCCU-INIZCTEOSA-N 1 0 347.459 1.048 20 10 EDCDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000726243083 578337557 /nfs/dbraw/zinc/33/75/57/578337557.db2.gz FPYMJKOOLQFECP-QAPCUYQASA-N 1 0 346.475 1.978 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000728593231 578549260 /nfs/dbraw/zinc/54/92/60/578549260.db2.gz BVHRREYZFFTMGE-MSOLQXFVSA-N 1 0 346.475 1.493 20 10 EDCDRO Cn1ccnc1CN1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000729986320 578606125 /nfs/dbraw/zinc/60/61/25/578606125.db2.gz WHLOKRULYRZVBU-UHFFFAOYSA-N 1 0 326.444 1.932 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@H](C)O)C(C)C)cc2=O ZINC000730419225 578647818 /nfs/dbraw/zinc/64/78/18/578647818.db2.gz GSSDKYOPGUTTNM-NSHDSACASA-N 1 0 336.392 1.203 20 10 EDCDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000731544343 578675900 /nfs/dbraw/zinc/67/59/00/578675900.db2.gz KJVJQGZNEDUZON-UHFFFAOYSA-N 1 0 348.447 1.134 20 10 EDCDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C1=CC(=O)CS1 ZINC000732280472 578702448 /nfs/dbraw/zinc/70/24/48/578702448.db2.gz CGLVMBHMODCZKI-UHFFFAOYSA-N 1 0 328.434 1.799 20 10 EDCDRO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000761096799 580048012 /nfs/dbraw/zinc/04/80/12/580048012.db2.gz RCABTVMDHNEIHF-WMLDXEAASA-N 1 0 333.407 1.373 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]CCCN(C)S(C)(=O)=O)c1O ZINC000761198868 580051154 /nfs/dbraw/zinc/05/11/54/580051154.db2.gz WLUDSYAJRPMPOU-UHFFFAOYSA-N 1 0 336.841 1.425 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1F ZINC000747622175 579651129 /nfs/dbraw/zinc/65/11/29/579651129.db2.gz MCTOBOONXNCTKQ-MRXNPFEDSA-N 1 0 335.423 1.761 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)CC(F)F)CC2)cc1 ZINC000754027452 579894252 /nfs/dbraw/zinc/89/42/52/579894252.db2.gz LEDLRMYQIALXHX-HNNXBMFYSA-N 1 0 343.418 1.375 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000756686631 579954891 /nfs/dbraw/zinc/95/48/91/579954891.db2.gz JHVSFAFBPKUFJF-LBPRGKRZSA-N 1 0 328.434 1.477 20 10 EDCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762721417 580081456 /nfs/dbraw/zinc/08/14/56/580081456.db2.gz LJVRAGKSKYQPCO-IBGZPJMESA-N 1 0 327.428 1.891 20 10 EDCDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000775260367 580387016 /nfs/dbraw/zinc/38/70/16/580387016.db2.gz OXLKJVKSNUJVOJ-OAHLLOKOSA-N 1 0 340.489 1.999 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCN4C(=O)OCC[C@@H]4C3)cc2)CC1 ZINC000775743952 580399351 /nfs/dbraw/zinc/39/93/51/580399351.db2.gz HVHIERLZHBCUMR-GOSISDBHSA-N 1 0 344.459 1.465 20 10 EDCDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000792978448 580832784 /nfs/dbraw/zinc/83/27/84/580832784.db2.gz UNEJFHSSVCSVGD-PBHICJAKSA-N 1 0 338.473 1.436 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](OC)C[C@H]1C)cc2=O ZINC000799344231 581025968 /nfs/dbraw/zinc/02/59/68/581025968.db2.gz TYUJNVZHIIYCKR-YPMHNXCESA-N 1 0 348.403 1.611 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(CO)on2)[NH+](C)C)cc1 ZINC000891246227 591015535 /nfs/dbraw/zinc/01/55/35/591015535.db2.gz AVPAKSVKOYHTAU-INIZCTEOSA-N 1 0 332.404 1.266 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2ccnn2C)[NH+](C)C)cc1 ZINC000891249463 591017810 /nfs/dbraw/zinc/01/78/10/591017810.db2.gz STSQXTIYMZVEEX-SFHVURJKSA-N 1 0 343.475 1.838 20 10 EDCDRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000892567414 591075647 /nfs/dbraw/zinc/07/56/47/591075647.db2.gz RQAYWXMVOJOFSI-JLIMDTESSA-N 1 0 328.210 1.691 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000891488909 591091000 /nfs/dbraw/zinc/09/10/00/591091000.db2.gz NKCURVRVZTWHIU-IYBDPMFKSA-N 1 0 344.459 1.810 20 10 EDCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000895702567 591254228 /nfs/dbraw/zinc/25/42/28/591254228.db2.gz QQNQVRSBLPRPBV-SFHVURJKSA-N 1 0 337.416 1.808 20 10 EDCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c1O ZINC000895798022 591275681 /nfs/dbraw/zinc/27/56/81/591275681.db2.gz WKBUDGFSZRYXJK-SKDRFNHKSA-N 1 0 348.262 1.986 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC34CC(O)C4)cc2)CC1 ZINC000896445710 591469058 /nfs/dbraw/zinc/46/90/58/591469058.db2.gz XQIRCFOORFBJJO-HFCFLWKCSA-N 1 0 344.459 1.151 20 10 EDCDRO COC(=O)c1c(CN2CCC[C@@H]2C(N)=O)c2cc(F)ccc2n1C ZINC000894907421 591469170 /nfs/dbraw/zinc/46/91/70/591469170.db2.gz SBAMFCOLKZWRRJ-CQSZACIVSA-N 1 0 333.363 1.554 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CC[C@@H](O)C2)[NH+](C)C)cc1 ZINC000899103619 591683509 /nfs/dbraw/zinc/68/35/09/591683509.db2.gz NKQOMYAMCLORTA-OLMNPRSZSA-N 1 0 348.491 1.816 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c(O)c1OC ZINC000898050414 591755381 /nfs/dbraw/zinc/75/53/81/591755381.db2.gz UXQYGZAHJQVGSB-GOSISDBHSA-N 1 0 347.415 1.938 20 10 EDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000895583753 591809985 /nfs/dbraw/zinc/80/99/85/591809985.db2.gz ZIJUBOSLOUCMMW-CYBMUJFWSA-N 1 0 326.462 1.850 20 10 EDCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000898359188 591889577 /nfs/dbraw/zinc/88/95/77/591889577.db2.gz MUITUBSBKAJWNM-ZWNOBZJWSA-N 1 0 328.796 1.584 20 10 EDCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000900254346 591962028 /nfs/dbraw/zinc/96/20/28/591962028.db2.gz GSNMYCWTUKNJDU-SJLPKXTDSA-N 1 0 349.500 1.311 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000900626753 592075837 /nfs/dbraw/zinc/07/58/37/592075837.db2.gz NNKJJTYQMHIHAH-ICSRJNTNSA-N 1 0 345.487 1.994 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1F ZINC000900637634 592078544 /nfs/dbraw/zinc/07/85/44/592078544.db2.gz QSXWADOXAXEVNS-KDOFPFPSSA-N 1 0 337.439 1.743 20 10 EDCDRO CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000903363391 592159141 /nfs/dbraw/zinc/15/91/41/592159141.db2.gz NTMPYPYDCUGYJV-HOCLYGCPSA-N 1 0 327.446 1.945 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c1 ZINC000903364973 592159711 /nfs/dbraw/zinc/15/97/11/592159711.db2.gz GCGXISXBEKBXQS-ABAIWWIYSA-N 1 0 329.418 1.255 20 10 EDCDRO COc1cc(Br)cc(CN2CCC[C@@]([NH3+])(CO)C2)c1O ZINC000904403017 592250814 /nfs/dbraw/zinc/25/08/14/592250814.db2.gz ZAYVFCIKNBGGFZ-AWEZNQCLSA-N 1 0 345.237 1.449 20 10 EDCDRO COc1ccc(N2CCN(C[C@H]([NH3+])CC(F)F)CC2)c(OC)c1 ZINC000903937198 592387253 /nfs/dbraw/zinc/38/72/53/592387253.db2.gz DVBHOILTORKAJU-GFCCVEGCSA-N 1 0 329.391 1.808 20 10 EDCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)C[C@]2(O)CCOC2)C2CC2)cc1 ZINC000905916229 592680977 /nfs/dbraw/zinc/68/09/77/592680977.db2.gz VGAHWMGFVXNKJR-RBUKOAKNSA-N 1 0 334.460 1.619 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000911558717 592945524 /nfs/dbraw/zinc/94/55/24/592945524.db2.gz YAFGJDOZHRVVNK-WKILWMFISA-N 1 0 346.475 1.345 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537955 592947149 /nfs/dbraw/zinc/94/71/49/592947149.db2.gz MYZUATHQIWJBRP-ARFHVFGLSA-N 1 0 345.443 1.530 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000911231360 592970870 /nfs/dbraw/zinc/97/08/70/592970870.db2.gz ZXDDMZRIZCHFJN-USXIJHARSA-N 1 0 344.459 1.158 20 10 EDCDRO CCCCS(=O)(=O)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666259 592973603 /nfs/dbraw/zinc/97/36/03/592973603.db2.gz HVEXUJOYKBNTOC-HNNXBMFYSA-N 1 0 341.477 1.084 20 10 EDCDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146875 593264206 /nfs/dbraw/zinc/26/42/06/593264206.db2.gz YPEPNWDWLUPAES-MLGOLLRUSA-N 1 0 325.403 1.841 20 10 EDCDRO COCCNC(=O)C1([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000839193545 593273550 /nfs/dbraw/zinc/27/35/50/593273550.db2.gz RDLJEQDNYXHBDI-UHFFFAOYSA-N 1 0 328.796 1.439 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000806170124 593431411 /nfs/dbraw/zinc/43/14/11/593431411.db2.gz ONICNCADOAWJHG-UONOGXRCSA-N 1 0 341.477 1.622 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3(C)C)CC2)cc1 ZINC000812864278 593511184 /nfs/dbraw/zinc/51/11/84/593511184.db2.gz CWVSWLHFSWSDBV-KRWDZBQOSA-N 1 0 347.459 1.189 20 10 EDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000815156945 593618483 /nfs/dbraw/zinc/61/84/83/593618483.db2.gz VMPQDHRWRAQZJO-QGZVFWFLSA-N 1 0 342.439 1.910 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CCC([NH3+])CC2)C2CC2)cc1 ZINC000817926630 593649353 /nfs/dbraw/zinc/64/93/53/593649353.db2.gz PXFHECDYXWSASV-UHFFFAOYSA-N 1 0 344.459 1.193 20 10 EDCDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000817934625 593650314 /nfs/dbraw/zinc/65/03/14/593650314.db2.gz LKSDTFDHZNCNRA-JCGIZDLHSA-N 1 0 333.476 1.875 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H]3C[C@@H]3C)CC2)cc1 ZINC000818956465 593730412 /nfs/dbraw/zinc/73/04/12/593730412.db2.gz LZKIBKYMQACUPY-LZLYRXPVSA-N 1 0 333.476 1.424 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819078756 593737614 /nfs/dbraw/zinc/73/76/14/593737614.db2.gz YZXSYRIEEGRDQK-INIZCTEOSA-N 1 0 333.392 1.316 20 10 EDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824708761 594059897 /nfs/dbraw/zinc/05/98/97/594059897.db2.gz JBFRUNWSNFXZRF-YJBOKZPZSA-N 1 0 338.423 1.803 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000825144550 594135894 /nfs/dbraw/zinc/13/58/94/594135894.db2.gz OMCPHBCIAJZESF-GFCCVEGCSA-N 1 0 332.853 1.868 20 10 EDCDRO [NH3+]C1CCC(OCC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000827567805 594234838 /nfs/dbraw/zinc/23/48/38/594234838.db2.gz XTUQVEMFFNYCQB-UHFFFAOYSA-N 1 0 347.459 1.426 20 10 EDCDRO C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000827726199 594265795 /nfs/dbraw/zinc/26/57/95/594265795.db2.gz VDTOHHSZSDJSEE-FNHZYXHNSA-N 1 0 329.444 1.700 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C=O)cn3)cc2)CC1 ZINC000829296979 594594299 /nfs/dbraw/zinc/59/42/99/594594299.db2.gz TVYIBZZAOWEAEK-UHFFFAOYSA-N 1 0 338.411 1.576 20 10 EDCDRO COC1CCN(c2ccc(C[NH2+][C@H]3C(=O)NCC[C@@H]3C)cc2)CC1 ZINC000829463312 594618774 /nfs/dbraw/zinc/61/87/74/594618774.db2.gz JSBJYBUMSRQJOZ-KBXCAEBGSA-N 1 0 331.460 1.916 20 10 EDCDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827369634 594665698 /nfs/dbraw/zinc/66/56/98/594665698.db2.gz GZZPRXFVRRRPSZ-INIZCTEOSA-N 1 0 335.423 1.401 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827369581 594665739 /nfs/dbraw/zinc/66/57/39/594665739.db2.gz DOYUGXBPTRPODK-WFASDCNBSA-N 1 0 335.423 1.401 20 10 EDCDRO CC(C)([NH3+])CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827468732 594674950 /nfs/dbraw/zinc/67/49/50/594674950.db2.gz CYKYHNSEGXXINL-AWEZNQCLSA-N 1 0 332.448 1.132 20 10 EDCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469284 594675147 /nfs/dbraw/zinc/67/51/47/594675147.db2.gz TUBJVWDYHGOGPP-KXBFYZLASA-N 1 0 346.475 1.522 20 10 EDCDRO C[C@H](OC[C@H]1CCCCO1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281624 594740055 /nfs/dbraw/zinc/74/00/55/594740055.db2.gz VCICZQFSVNVAOG-QGTPRVQTSA-N 1 0 349.475 1.843 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000832284337 594740182 /nfs/dbraw/zinc/74/01/82/594740182.db2.gz IXVNQBFZPUDEAD-OAHLLOKOSA-N 1 0 327.384 1.911 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000832781361 594776278 /nfs/dbraw/zinc/77/62/78/594776278.db2.gz BJOIICOUQQXDNE-INIZCTEOSA-N 1 0 333.476 1.805 20 10 EDCDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000840916353 594827367 /nfs/dbraw/zinc/82/73/67/594827367.db2.gz IZTJQQMICUWMPY-UHFFFAOYSA-N 1 0 332.492 1.657 20 10 EDCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)nn1 ZINC000840939763 594830268 /nfs/dbraw/zinc/83/02/68/594830268.db2.gz PXLOEGPPTUIYTM-INIZCTEOSA-N 1 0 343.431 1.886 20 10 EDCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069986 594847307 /nfs/dbraw/zinc/84/73/07/594847307.db2.gz HUIZMTAAMABQJD-GFCCVEGCSA-N 1 0 337.773 1.971 20 10 EDCDRO C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841742093 594946216 /nfs/dbraw/zinc/94/62/16/594946216.db2.gz UASLKCSKJJRBDB-JKSUJKDBSA-N 1 0 346.475 1.883 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000841778738 594950759 /nfs/dbraw/zinc/95/07/59/594950759.db2.gz FJKBDULPLHTKCK-KRWDZBQOSA-N 1 0 334.464 1.947 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000841828350 594958925 /nfs/dbraw/zinc/95/89/25/594958925.db2.gz SPUIGGUWIDEPLS-UHFFFAOYSA-N 1 0 333.480 1.156 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841928431 594983765 /nfs/dbraw/zinc/98/37/65/594983765.db2.gz UOBFEKMSJKOZAB-QGZVFWFLSA-N 1 0 346.475 1.664 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000841976625 594993826 /nfs/dbraw/zinc/99/38/26/594993826.db2.gz MYDTUSRWAKQKAU-BXKDBHETSA-N 1 0 342.237 1.952 20 10 EDCDRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000842070648 595013033 /nfs/dbraw/zinc/01/30/33/595013033.db2.gz PMCGYRCAIZQCRK-OAHLLOKOSA-N 1 0 348.491 1.224 20 10 EDCDRO CN(c1ccc(CNC(=O)C(=O)NCC[NH3+])cc1)C1CCCCC1 ZINC000842150493 595023880 /nfs/dbraw/zinc/02/38/80/595023880.db2.gz SUDNCXXLNNIQNX-UHFFFAOYSA-N 1 0 332.448 1.147 20 10 EDCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000842166836 595027823 /nfs/dbraw/zinc/02/78/23/595027823.db2.gz UEJLWXSTLBHWKT-MRXNPFEDSA-N 1 0 333.432 1.315 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000842181468 595030534 /nfs/dbraw/zinc/03/05/34/595030534.db2.gz YGRVRCXWTWYBGS-HOTGVXAUSA-N 1 0 348.491 1.658 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000842208156 595039314 /nfs/dbraw/zinc/03/93/14/595039314.db2.gz SCSRVZAYSQJZQS-GASCZTMLSA-N 1 0 346.475 1.358 20 10 EDCDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842213312 595041440 /nfs/dbraw/zinc/04/14/40/595041440.db2.gz GDFIUWWNQILYOU-OAHLLOKOSA-N 1 0 346.475 1.393 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000843259454 595055495 /nfs/dbraw/zinc/05/54/95/595055495.db2.gz OOMHSOWEGXNNNX-KGLIPLIRSA-N 1 0 334.464 1.391 20 10 EDCDRO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349913 595083016 /nfs/dbraw/zinc/08/30/16/595083016.db2.gz MJHXGGRTWGSLCO-CYBMUJFWSA-N 1 0 344.459 1.010 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000843488434 595127363 /nfs/dbraw/zinc/12/73/63/595127363.db2.gz ZRPUDWMXWOOVAC-QGZVFWFLSA-N 1 0 346.475 1.359 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CCC[NH2+]1 ZINC000843489625 595127852 /nfs/dbraw/zinc/12/78/52/595127852.db2.gz QPLGHOIYWNNEDT-CYBMUJFWSA-N 1 0 340.807 1.689 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000846171117 595164294 /nfs/dbraw/zinc/16/42/94/595164294.db2.gz RUVYZDBGVIAGKW-HNNXBMFYSA-N 1 0 334.464 1.772 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000835037632 595251043 /nfs/dbraw/zinc/25/10/43/595251043.db2.gz RRKYRZGHVHAOAH-DQOPKJQZSA-N 1 0 337.489 1.779 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000835037634 595251106 /nfs/dbraw/zinc/25/11/06/595251106.db2.gz RRKYRZGHVHAOAH-MQDFFIGUSA-N 1 0 337.489 1.779 20 10 EDCDRO COc1cc(Br)cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843058110 595276486 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346.475 1.439 20 10 EDCDRO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000872215913 596839217 /nfs/dbraw/zinc/83/92/17/596839217.db2.gz LFPOZTRTJJWWEX-PMACEKPBSA-N 1 0 348.487 1.649 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@](C)(O)C3)CC2)cc1 ZINC000124162753 597000779 /nfs/dbraw/zinc/00/07/79/597000779.db2.gz UCKZNZCWRWROCF-LJQANCHMSA-N 1 0 347.459 1.191 20 10 EDCDRO O=C1CC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCN1 ZINC000873130550 597206675 /nfs/dbraw/zinc/20/66/75/597206675.db2.gz HPOWINHDFIPPGF-ZDUSSCGKSA-N 1 0 339.386 1.560 20 10 EDCDRO COc1cc(C)cnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507124 597224294 /nfs/dbraw/zinc/22/42/94/597224294.db2.gz WBQHLQJIHWFEAB-HNNXBMFYSA-N 1 0 328.416 1.894 20 10 EDCDRO COCCC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876549239 597235729 /nfs/dbraw/zinc/23/57/29/597235729.db2.gz LTCPLKRGZUQOJQ-OAHLLOKOSA-N 1 0 327.446 1.726 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873290902 597249230 /nfs/dbraw/zinc/24/92/30/597249230.db2.gz BRGZFEIVIIESOP-DZGCQCFKSA-N 1 0 348.443 1.988 20 10 EDCDRO CC(=O)NCC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876636233 597270109 /nfs/dbraw/zinc/27/01/09/597270109.db2.gz TXXNKFIZBAQXRQ-UHFFFAOYSA-N 1 0 345.487 1.996 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876733098 597312003 /nfs/dbraw/zinc/31/20/03/597312003.db2.gz OASNUJXEQPSGPN-WMLDXEAASA-N 1 0 335.423 1.682 20 10 EDCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876977635 597403468 /nfs/dbraw/zinc/40/34/68/597403468.db2.gz ZZECREXFXIHCOQ-MJGOQNOKSA-N 1 0 347.459 1.031 20 10 EDCDRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000877028847 597415898 /nfs/dbraw/zinc/41/58/98/597415898.db2.gz GFJPFNCRSVDFPK-UHFFFAOYSA-N 1 0 330.432 1.797 20 10 EDCDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877094322 597430961 /nfs/dbraw/zinc/43/09/61/597430961.db2.gz ZVCNOTUCIRESOF-UHFFFAOYSA-N 1 0 340.427 1.431 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000883134825 597662698 /nfs/dbraw/zinc/66/26/98/597662698.db2.gz KJQZWBGROAWROR-BGYRXZFFSA-N 1 0 345.487 1.601 20 10 EDCDRO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)O1 ZINC000881854495 597756427 /nfs/dbraw/zinc/75/64/27/597756427.db2.gz DLJUSGCIHVXWKA-RVKKMQEKSA-N 1 0 331.460 1.868 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000879417859 597912170 /nfs/dbraw/zinc/91/21/70/597912170.db2.gz BCJVTXQXQCOWSB-QYZOEREBSA-N 1 0 345.487 1.994 20 10 EDCDRO COc1ccc(N2CC[NH+](CCC(=O)NC(C)C)CC2)c(OC)c1 ZINC000879463845 597924269 /nfs/dbraw/zinc/92/42/69/597924269.db2.gz SCXYOCLKJOFXAI-UHFFFAOYSA-N 1 0 335.448 1.741 20 10 EDCDRO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1 ZINC000879485792 597932368 /nfs/dbraw/zinc/93/23/68/597932368.db2.gz FXKKTYDDYOVHGF-SFHVURJKSA-N 1 0 331.416 1.955 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cccnc3)cc2)CC1 ZINC000882663353 598016022 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COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)cc1C ZINC000998745589 706179954 /nfs/dbraw/zinc/17/99/54/706179954.db2.gz MUDRRDRMGWDQIX-JKSUJKDBSA-N 1 0 345.443 1.363 20 10 EDCDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(OC)c2O)cn1 ZINC000922528124 711646419 /nfs/dbraw/zinc/64/64/19/711646419.db2.gz BTBULOXBMUNLHS-PBHICJAKSA-N 1 0 344.415 1.727 20 10 EDCDRO Cc1ccc(O)c(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000264990935 249341602 /nfs/dbraw/zinc/34/16/02/249341602.db2.gz XENXNTVNEJEQBY-AWEZNQCLSA-N 1 0 329.322 1.974 20 10 EDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000269140929 249378374 /nfs/dbraw/zinc/37/83/74/249378374.db2.gz WCSIIVBCLHKKJP-CJNGLKHVSA-N 1 0 330.432 1.540 20 10 EDCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284000114 249586988 /nfs/dbraw/zinc/58/69/88/249586988.db2.gz JWACEQCSFCZYFC-OAHLLOKOSA-N 1 0 346.475 1.359 20 10 EDCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000288885770 249711560 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20 10 EDCDRO c1cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc2c1OCC2 ZINC000378155331 250297520 /nfs/dbraw/zinc/29/75/20/250297520.db2.gz YSUWKJUPBMHRDS-LJQANCHMSA-N 1 0 332.444 1.593 20 10 EDCDRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000105206716 441241669 /nfs/dbraw/zinc/24/16/69/441241669.db2.gz NAIPLFLNJGOSQD-UHFFFAOYSA-N 1 0 348.491 1.789 20 10 EDCDRO CNC(=O)NC(=O)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052467020 441452102 /nfs/dbraw/zinc/45/21/02/441452102.db2.gz DQFDPRUKGGOMKH-UHFFFAOYSA-N 1 0 334.420 1.053 20 10 EDCDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(N2CCOCC2)cc1 ZINC000176198492 442189185 /nfs/dbraw/zinc/18/91/85/442189185.db2.gz VBKBICCCFBSJQX-UHFFFAOYSA-N 1 0 345.403 1.760 20 10 EDCDRO O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000128247283 442254960 /nfs/dbraw/zinc/25/49/60/442254960.db2.gz DEBHCQSHYBIDQM-AWEZNQCLSA-N 1 0 344.367 1.995 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@H]3CCC[C@@H]3C1)cc2=O ZINC000153198350 442267422 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Nc1ccc(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000237898356 443187076 /nfs/dbraw/zinc/18/70/76/443187076.db2.gz ZEFJRZTYMZSZPY-UHFFFAOYSA-N 1 0 331.460 1.963 20 10 EDCDRO CC[NH+](CC)CCN(CCOC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272447743 443321991 /nfs/dbraw/zinc/32/19/91/443321991.db2.gz NFTJMMJNKQARIU-VQHVLOKHSA-N 1 0 336.432 1.928 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000271758073 443512766 /nfs/dbraw/zinc/51/27/66/443512766.db2.gz AYHATQIXYJDNPU-LLVKDONJSA-N 1 0 328.210 1.706 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1C ZINC000273542093 443578770 /nfs/dbraw/zinc/57/87/70/443578770.db2.gz YLDILGQWASDIOG-ZIAGYGMSSA-N 1 0 326.462 1.941 20 10 EDCDRO C[C@@H]1OCC[C@@]12CN(CC(=O)NCc1ccc(N(C)C)cc1)CCO2 ZINC000280530773 443735565 /nfs/dbraw/zinc/73/55/65/443735565.db2.gz SLECBPYXFIBGQK-HNAYVOBHSA-N 1 0 347.459 1.249 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(O)c1 ZINC000527956549 320530310 /nfs/dbraw/zinc/53/03/10/320530310.db2.gz 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/nfs/dbraw/zinc/66/90/41/521669041.db2.gz XBVWDFULPSEWMQ-UHFFFAOYSA-N 1 0 342.417 1.025 20 10 EDCDRO C[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000035839772 523772744 /nfs/dbraw/zinc/77/27/44/523772744.db2.gz XTLZMEPVIBHNJT-UHFFFAOYSA-N 1 0 332.448 1.417 20 10 EDCDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1=CC(=O)CS1 ZINC000732283067 578702640 /nfs/dbraw/zinc/70/26/40/578702640.db2.gz WHZREEIRHLFDEZ-GFCCVEGCSA-N 1 0 325.434 1.126 20 10 EDCDRO COc1ccc(O)c(CNC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000733906729 578788021 /nfs/dbraw/zinc/78/80/21/578788021.db2.gz QEOSJKPPLURQLG-UHFFFAOYSA-N 1 0 325.478 1.953 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3C[C@H](C)[C@H](C)C3)CC2)cc1 ZINC000754048511 579894804 /nfs/dbraw/zinc/89/48/04/579894804.db2.gz GDCHFDVNUMHVLI-ZIFCJYIRSA-N 1 0 347.503 1.766 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000755839273 579936358 /nfs/dbraw/zinc/93/63/58/579936358.db2.gz PFVXEABQQSCULQ-GOSISDBHSA-N 1 0 346.475 1.805 20 10 EDCDRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756684545 579954873 /nfs/dbraw/zinc/95/48/73/579954873.db2.gz YNFNECGVUORIGB-JQWIXIFHSA-N 1 0 330.425 1.997 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000756776576 579956954 /nfs/dbraw/zinc/95/69/54/579956954.db2.gz QGJGLLXVDKJCIX-NSHDSACASA-N 1 0 341.429 1.654 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000756836605 579957925 /nfs/dbraw/zinc/95/79/25/579957925.db2.gz CEFJAXYUOIMGTL-MKBNYLNASA-N 1 0 344.415 1.979 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3nc(C)nc3C)CC2)cc1 ZINC000758222215 579977280 /nfs/dbraw/zinc/97/72/80/579977280.db2.gz IDOZXLWTOBFKJE-QGZVFWFLSA-N 1 0 345.447 1.087 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnco3)cc2F)CC1 ZINC000759016436 579996821 /nfs/dbraw/zinc/99/68/21/579996821.db2.gz ZVDAGLHPDCFPBX-UHFFFAOYSA-N 1 0 332.379 1.886 20 10 EDCDRO NC(=O)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981058 580064795 /nfs/dbraw/zinc/06/47/95/580064795.db2.gz MFHQEPXGNWCXAZ-LBPRGKRZSA-N 1 0 325.796 1.002 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CN(C)CCO3)CC2)cc1 ZINC000773070107 580326333 /nfs/dbraw/zinc/32/63/33/580326333.db2.gz FUONQDWDCKOKJL-BEFAXECRSA-N 1 0 333.476 1.973 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)c1 ZINC000775377514 580389618 /nfs/dbraw/zinc/38/96/18/580389618.db2.gz GPQPQIUUJQUMTG-LRDDRELGSA-N 1 0 334.416 1.689 20 10 EDCDRO COC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775833921 580402180 /nfs/dbraw/zinc/40/21/80/580402180.db2.gz HNSPRCWCILEMFA-CQSZACIVSA-N 1 0 347.459 1.815 20 10 EDCDRO CC[C@H]1CC[N@@H+]1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000795651450 580932838 /nfs/dbraw/zinc/93/28/38/580932838.db2.gz YTJQJMIHBCIFJU-WMZOPIPTSA-N 1 0 333.476 1.662 20 10 EDCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000799348609 581026206 /nfs/dbraw/zinc/02/62/06/581026206.db2.gz IQWJAZPAPXPHJB-JOCHJYFZSA-N 1 0 326.437 1.663 20 10 EDCDRO Cc1nccnc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000799573442 581031790 /nfs/dbraw/zinc/03/17/90/581031790.db2.gz MVQPAPHJHPTRSO-INIZCTEOSA-N 1 0 342.399 1.239 20 10 EDCDRO CC(=O)NCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891939806 590697408 /nfs/dbraw/zinc/69/74/08/590697408.db2.gz GODNLXIPNPGZSS-KRWDZBQOSA-N 1 0 349.479 1.181 20 10 EDCDRO COc1ccc(CN(C)CC(C)(C)S(C)(=O)=O)c(O)c1OC ZINC000892146999 590821372 /nfs/dbraw/zinc/82/13/72/590821372.db2.gz QZSADDUZMUEVSR-UHFFFAOYSA-N 1 0 331.434 1.664 20 10 EDCDRO C=CC(=O)N(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246628 591016419 /nfs/dbraw/zinc/01/64/19/591016419.db2.gz CPBBBYAXTHXFOF-MRXNPFEDSA-N 1 0 332.448 1.116 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)[NH+](C)C)cc1 ZINC000891256675 591022427 /nfs/dbraw/zinc/02/24/27/591022427.db2.gz ZQRRNZPPIBBEGL-RDJZCZTQSA-N 1 0 346.475 1.340 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N3C4CCC3(C[NH3+])CC4)C2)cc1 ZINC000892456323 591033506 /nfs/dbraw/zinc/03/35/06/591033506.db2.gz KJVSEDLWLVIXOE-ASFAAARLSA-N 1 0 344.459 1.939 20 10 EDCDRO [NH3+][C@H]1C[C@@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000892564534 591074255 /nfs/dbraw/zinc/07/42/55/591074255.db2.gz IRZCVJWNDQIVFB-IMJJTQAJSA-N 1 0 333.432 1.820 20 10 EDCDRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000892571128 591077523 /nfs/dbraw/zinc/07/75/23/591077523.db2.gz VMKQHCPEYXOEQK-CZMCAQCFSA-N 1 0 328.210 1.691 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1F ZINC000895826987 591278358 /nfs/dbraw/zinc/27/83/58/591278358.db2.gz GYKWUWXYQWWLDZ-UHFFFAOYSA-N 1 0 326.412 1.228 20 10 EDCDRO CC(=O)OC[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894842705 591438917 /nfs/dbraw/zinc/43/89/17/591438917.db2.gz BCZJXEMXHWOQPG-NSHDSACASA-N 1 0 328.359 1.843 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC34CC(O)C4)cc2)CC1 ZINC000896445714 591469187 /nfs/dbraw/zinc/46/91/87/591469187.db2.gz XQIRCFOORFBJJO-TVRKMHQQSA-N 1 0 344.459 1.151 20 10 EDCDRO Cc1ccc(C[NH+]2CCN(c3nc(N)nc(C4CC4)n3)CC2)c(O)c1 ZINC000897573402 591562172 /nfs/dbraw/zinc/56/21/72/591562172.db2.gz HOTVWUGSELUADU-UHFFFAOYSA-N 1 0 340.431 1.667 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897830508 591687873 /nfs/dbraw/zinc/68/78/73/591687873.db2.gz YYIYPBSIMXJFAG-UHFFFAOYSA-N 1 0 325.478 1.576 20 10 EDCDRO O=C1N(CC[NH2+]Cc2cc3c(cc2O)OCO3)C[C@@H]2CCCCN12 ZINC000895345125 591722931 /nfs/dbraw/zinc/72/29/31/591722931.db2.gz XTBQLQASWQYQIG-ZDUSSCGKSA-N 1 0 333.388 1.501 20 10 EDCDRO CCOCc1cc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)ccc1OC ZINC000898333560 591875403 /nfs/dbraw/zinc/87/54/03/591875403.db2.gz VTHYHGIMCWVBNW-UHFFFAOYSA-N 1 0 347.415 1.674 20 10 EDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2c(O)cccc2Cl)[C@@H](CO)C1 ZINC000898359187 591889726 /nfs/dbraw/zinc/88/97/26/591889726.db2.gz MUITUBSBKAJWNM-MFKMUULPSA-N 1 0 328.796 1.584 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[C@@H](C3)[C@H]4C(=O)[O-])cc2)CC1 ZINC000902554133 592011987 /nfs/dbraw/zinc/01/19/87/592011987.db2.gz PGNHSLGTPGEPFC-KSZLIROESA-N 1 0 329.444 1.591 20 10 EDCDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000903098126 592120383 /nfs/dbraw/zinc/12/03/83/592120383.db2.gz YIDVBMYXKOAMHB-IAGOWNOFSA-N 1 0 338.473 1.579 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(O)c1 ZINC000903227476 592141576 /nfs/dbraw/zinc/14/15/76/592141576.db2.gz RSCXXZQTOIECER-LLVKDONJSA-N 1 0 334.463 1.409 20 10 EDCDRO CO[C@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCS(=O)(=O)C1 ZINC000903363053 592159149 /nfs/dbraw/zinc/15/91/49/592159149.db2.gz LTXKYHQXGNPZHM-BBRMVZONSA-N 1 0 327.446 1.863 20 10 EDCDRO CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCS(=O)(=O)C1 ZINC000903367129 592160694 /nfs/dbraw/zinc/16/06/94/592160694.db2.gz XSXFKDXUOUXJEK-PKWAYOAASA-N 1 0 343.420 1.873 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](CC(=O)[O-])C3)cc2)CC1 ZINC000901501351 592376507 /nfs/dbraw/zinc/37/65/07/592376507.db2.gz GLKSEHSBZPCOQE-QGZVFWFLSA-N 1 0 333.432 1.114 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527783 592934379 /nfs/dbraw/zinc/93/43/79/592934379.db2.gz LNWVMFKPSBRHRA-HNNXBMFYSA-N 1 0 333.432 1.245 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC000911225533 592969004 /nfs/dbraw/zinc/96/90/04/592969004.db2.gz GXPCMWOXZAYLRK-KUHUBIRLSA-N 1 0 344.459 1.284 20 10 EDCDRO C[NH2+]CCN(C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000911225483 592969102 /nfs/dbraw/zinc/96/91/02/592969102.db2.gz FTDMCZGKVCLHJL-CQSZACIVSA-N 1 0 334.464 1.386 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000806038955 593182460 /nfs/dbraw/zinc/18/24/60/593182460.db2.gz JSPBVIGVUNJGDV-GDBMZVCRSA-N 1 0 346.475 1.276 20 10 EDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807678397 593190126 /nfs/dbraw/zinc/19/01/26/593190126.db2.gz WUCGWACVHWESMR-WMLDXEAASA-N 1 0 346.475 1.530 20 10 EDCDRO COc1cc(N2CC[NH+](C[C@@H](O)C3CC3)CC2)cc(OC)c1OC ZINC000838932012 593241237 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COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000818956467 593730252 /nfs/dbraw/zinc/73/02/52/593730252.db2.gz LZKIBKYMQACUPY-XYJFISCASA-N 1 0 333.476 1.424 20 10 EDCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000822503674 594058844 /nfs/dbraw/zinc/05/88/44/594058844.db2.gz KSBBCFKXDOYAAN-GFCCVEGCSA-N 1 0 333.348 1.738 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824905900 594094731 /nfs/dbraw/zinc/09/47/31/594094731.db2.gz HUVGTHAGAFNYKO-LBPRGKRZSA-N 1 0 332.853 1.868 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1Cl ZINC000825291281 594162064 /nfs/dbraw/zinc/16/20/64/594162064.db2.gz HZBMOEMBVNNJLO-CQSZACIVSA-N 1 0 334.807 1.983 20 10 EDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359567 594400299 /nfs/dbraw/zinc/40/02/99/594400299.db2.gz YIAIDPUYVAAYPS-UONOGXRCSA-N 1 0 325.359 1.720 20 10 EDCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC[NH2+]1 ZINC000830664699 594451303 /nfs/dbraw/zinc/45/13/03/594451303.db2.gz MACSFFSHSJZIQF-SMDDNHRTSA-N 1 0 325.359 1.735 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(n4cccn4)CC3)cc2)CC1 ZINC000829296198 594593999 /nfs/dbraw/zinc/59/39/99/594593999.db2.gz FCCWGOLCCGEGOE-UHFFFAOYSA-N 1 0 339.443 1.440 20 10 EDCDRO COc1ccc(O)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832279561 594740001 /nfs/dbraw/zinc/74/00/01/594740001.db2.gz JYIOAZPDFKKXKO-MRXNPFEDSA-N 1 0 329.400 1.897 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCc3cnn(C)c3C2)cc1 ZINC000832284368 594740153 /nfs/dbraw/zinc/74/01/53/594740153.db2.gz JSGWZHBZVRAZTN-RHSMWYFYSA-N 1 0 341.459 1.407 20 10 EDCDRO COC(=O)c1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccn1 ZINC000832284328 594740169 /nfs/dbraw/zinc/74/01/69/594740169.db2.gz INDIRCACZVEXCB-HNNXBMFYSA-N 1 0 342.399 1.364 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNS(=O)(=O)c1cccnc1 ZINC000840937319 594830534 /nfs/dbraw/zinc/83/05/34/594830534.db2.gz RJLSCNUPLCUJJM-UHFFFAOYSA-N 1 0 348.472 1.524 20 10 EDCDRO COC(=O)[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@H+](C)C1 ZINC000840958663 594832957 /nfs/dbraw/zinc/83/29/57/594832957.db2.gz QZJQBFMDZDLWGJ-RTRPANQVSA-N 1 0 331.460 1.802 20 10 EDCDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841299697 594882528 /nfs/dbraw/zinc/88/25/28/594882528.db2.gz IDTIZHBQYHZWFO-UHFFFAOYSA-N 1 0 333.436 1.287 20 10 EDCDRO Nc1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000841300193 594882775 /nfs/dbraw/zinc/88/27/75/594882775.db2.gz MIHQOFKEXZZSML-UHFFFAOYSA-N 1 0 331.420 1.041 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000841709920 594941248 /nfs/dbraw/zinc/94/12/48/594941248.db2.gz PMIAPMDJSQQLSD-RHSMWYFYSA-N 1 0 332.448 1.544 20 10 EDCDRO C[C@@H](NC(=O)NCC[NH2+]C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000841740032 594945713 /nfs/dbraw/zinc/94/57/13/594945713.db2.gz DOOJSJPFNGBBDE-CQSZACIVSA-N 1 0 332.448 1.635 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000841779827 594950991 /nfs/dbraw/zinc/95/09/91/594950991.db2.gz ZQJLYMYYFYHMNG-GASCZTMLSA-N 1 0 344.459 1.525 20 10 EDCDRO COc1ccc(O)c(CNC(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000836700323 594989730 /nfs/dbraw/zinc/98/97/30/594989730.db2.gz OQPBGTPGFCWURV-UHFFFAOYSA-N 1 0 333.392 1.481 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C(C)(C)C[NH+](C)C ZINC000842191345 595033975 /nfs/dbraw/zinc/03/39/75/595033975.db2.gz MGNBVPRNGOPCSW-CYBMUJFWSA-N 1 0 334.464 1.020 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000842202476 595037155 /nfs/dbraw/zinc/03/71/55/595037155.db2.gz HUUJKDSRUZIQKR-CYBMUJFWSA-N 1 0 332.448 1.270 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842203733 595037554 /nfs/dbraw/zinc/03/75/54/595037554.db2.gz WYWGMVXOADMJFP-UGSOOPFHSA-N 1 0 332.448 1.127 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203852 595037796 /nfs/dbraw/zinc/03/77/96/595037796.db2.gz XWXFYMNZJDYOIV-HUUCEWRRSA-N 1 0 346.475 1.436 20 10 EDCDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842214942 595041993 /nfs/dbraw/zinc/04/19/93/595041993.db2.gz UNGXDUKCOJULSN-IBGZPJMESA-N 1 0 344.459 1.100 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000842256891 595057371 /nfs/dbraw/zinc/05/73/71/595057371.db2.gz NGLCPYDIAISSSV-KRWDZBQOSA-N 1 0 346.475 1.345 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000842267276 595061066 /nfs/dbraw/zinc/06/10/66/595061066.db2.gz WZVAPSOTRJJBKO-ZBFHGGJFSA-N 1 0 347.459 1.635 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842274303 595063232 /nfs/dbraw/zinc/06/32/32/595063232.db2.gz LKRRLGJVTTZALM-GDBMZVCRSA-N 1 0 347.459 1.765 20 10 EDCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000843434042 595109965 /nfs/dbraw/zinc/10/99/65/595109965.db2.gz QGEHHKLRZNVREA-PWSUYJOCSA-N 1 0 329.780 1.410 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000846173005 595164724 /nfs/dbraw/zinc/16/47/24/595164724.db2.gz PGRMRBMMYLFQQM-CGTJXYLNSA-N 1 0 346.475 1.739 20 10 EDCDRO Cc1cnc(N)c(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842783723 595196732 /nfs/dbraw/zinc/19/67/32/595196732.db2.gz BWNSTJWZSRRKHD-AWEZNQCLSA-N 1 0 349.460 1.017 20 10 EDCDRO C[NH2+][C@@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844219914 595305509 /nfs/dbraw/zinc/30/55/09/595305509.db2.gz OQYOJDIXJKXCRL-MRXNPFEDSA-N 1 0 346.475 1.028 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000844226003 595309801 /nfs/dbraw/zinc/30/98/01/595309801.db2.gz YOMDWFJDWUFHNK-CALCHBBNSA-N 1 0 330.476 1.537 20 10 EDCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000106505907 595311871 /nfs/dbraw/zinc/31/18/71/595311871.db2.gz DHMIWWBTAIXFNV-HNNXBMFYSA-N 1 0 333.480 1.188 20 10 EDCDRO COC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848548987 595404476 /nfs/dbraw/zinc/40/44/76/595404476.db2.gz NBFSUVMPKFCWMP-PSASIEDQSA-N 1 0 334.210 1.821 20 10 EDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848548853 595404780 /nfs/dbraw/zinc/40/47/80/595404780.db2.gz GQELSLUPAIDYJA-WCBMZHEXSA-N 1 0 334.210 1.821 20 10 EDCDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868606 595588397 /nfs/dbraw/zinc/58/83/97/595588397.db2.gz KJGOIOYZGHXVFI-INIZCTEOSA-N 1 0 331.460 1.654 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852917931 595614204 /nfs/dbraw/zinc/61/42/04/595614204.db2.gz UTUCXHSHOMOUFU-UHFFFAOYSA-N 1 0 344.459 1.051 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1F ZINC000858188489 595724089 /nfs/dbraw/zinc/72/40/89/595724089.db2.gz UNVSHQOPEUNKPF-INIZCTEOSA-N 1 0 330.375 1.288 20 10 EDCDRO O=C1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000850388738 595824882 /nfs/dbraw/zinc/82/48/82/595824882.db2.gz KSLBTUYAEUXXPA-AWEZNQCLSA-N 1 0 332.404 1.953 20 10 EDCDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406636 595828984 /nfs/dbraw/zinc/82/89/84/595828984.db2.gz NWYGEGMWTPGZJB-DOPJRALCSA-N 1 0 332.444 1.935 20 10 EDCDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851664198 595874692 /nfs/dbraw/zinc/87/46/92/595874692.db2.gz UDKRWHVPBYKZPX-HOTGVXAUSA-N 1 0 346.475 1.717 20 10 EDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851666328 595875912 /nfs/dbraw/zinc/87/59/12/595875912.db2.gz GNDKYFAWEZMFDT-KBPBESRZSA-N 1 0 334.464 1.573 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCN3C(=O)CN(C)C3=O)CC2)cc1 ZINC000851733400 595901455 /nfs/dbraw/zinc/90/14/55/595901455.db2.gz UKKFMIBGLOQLFE-UHFFFAOYSA-N 1 0 346.431 1.101 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1F ZINC000861767283 596095281 /nfs/dbraw/zinc/09/52/81/596095281.db2.gz PACRLFFJMFTJTG-GFCCVEGCSA-N 1 0 338.427 1.094 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857102612 596158439 /nfs/dbraw/zinc/15/84/39/596158439.db2.gz FQXCXCQOJVIGNN-BEFAXECRSA-N 1 0 344.459 1.017 20 10 EDCDRO CC[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(N(C)C)cc1 ZINC000866552736 596247678 /nfs/dbraw/zinc/24/76/78/596247678.db2.gz BNTGYPSEIOTJBK-PKOBYXMFSA-N 1 0 347.459 1.421 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccn(C3CC3)c2=O)cc1 ZINC000870932744 596410728 /nfs/dbraw/zinc/41/07/28/596410728.db2.gz IWAKGXVKTVPVSG-KRWDZBQOSA-N 1 0 340.427 1.679 20 10 EDCDRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000865658455 596641677 /nfs/dbraw/zinc/64/16/77/596641677.db2.gz OQCSKGZNWHBFKV-KRWDZBQOSA-N 1 0 333.476 1.458 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1Cn1cccn1 ZINC000873069112 597178862 /nfs/dbraw/zinc/17/88/62/597178862.db2.gz GYRQOSHBUPSACO-INIZCTEOSA-N 1 0 340.427 1.793 20 10 EDCDRO COc1ccc(C[NH2+]CCN2CCCC2=O)cc1Cn1cccn1 ZINC000873133876 597207540 /nfs/dbraw/zinc/20/75/40/597207540.db2.gz VCWKFEXXLLSTHL-UHFFFAOYSA-N 1 0 328.416 1.652 20 10 EDCDRO CCN(C1CC[NH+](Cc2c(C)cccc2O)CC1)S(C)(=O)=O ZINC000876723301 597306293 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Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000877046160 597420728 /nfs/dbraw/zinc/42/07/28/597420728.db2.gz JLDWLMHWUHXAFA-CQSZACIVSA-N 1 0 342.461 1.279 20 10 EDCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877360580 597501250 /nfs/dbraw/zinc/50/12/50/597501250.db2.gz NATJXSPJWHQTOA-UHFFFAOYSA-N 1 0 340.489 1.561 20 10 EDCDRO CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1CCO ZINC000877459019 597519163 /nfs/dbraw/zinc/51/91/63/597519163.db2.gz DXUFRGPUHARYID-UHFFFAOYSA-N 1 0 347.503 1.536 20 10 EDCDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877471899 597521192 /nfs/dbraw/zinc/52/11/92/597521192.db2.gz DPBYQBGESPBZIH-SFHVURJKSA-N 1 0 343.471 1.844 20 10 EDCDRO CC(C)[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000877874462 597561431 /nfs/dbraw/zinc/56/14/31/597561431.db2.gz MBXNDRPHWWXJDY-MRXNPFEDSA-N 1 0 330.432 1.515 20 10 EDCDRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000879651236 597674755 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EDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2nc[nH]c2C1 ZINC000823296666 594181780 /nfs/dbraw/zinc/18/17/80/594181780.db2.gz ZJSWPQXZYCKZQG-OAHLLOKOSA-N 1 0 340.427 1.668 20 10 EDCDRO C[C@@H]1C[N@H+](CCCNC(=O)c2c(F)ccc(O)c2O)CCCO1 ZINC000830488466 594405398 /nfs/dbraw/zinc/40/53/98/594405398.db2.gz UWHDNCSECNXLEL-LLVKDONJSA-N 1 0 326.368 1.468 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000826706099 594560412 /nfs/dbraw/zinc/56/04/12/594560412.db2.gz FYZCXUAEEPCJCP-HNNXBMFYSA-N 1 0 346.475 1.358 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000831198021 594579718 /nfs/dbraw/zinc/57/97/18/594579718.db2.gz YOJJHXHUSIGUQX-RBSFLKMASA-N 1 0 334.464 1.947 20 10 EDCDRO COc1c(O)c(C[N@H+](CCOCCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000827203347 594652453 /nfs/dbraw/zinc/65/24/53/594652453.db2.gz BQRBBNKTGYAANP-UHFFFAOYSA-N 1 0 340.376 1.672 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000831650550 594689916 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C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000841709918 594941266 /nfs/dbraw/zinc/94/12/66/594941266.db2.gz PMIAPMDJSQQLSD-PBHICJAKSA-N 1 0 332.448 1.544 20 10 EDCDRO COC[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCC[NH2+]1 ZINC000841709779 594941267 /nfs/dbraw/zinc/94/12/67/594941267.db2.gz MMCSEDHAEGXPOV-IBGZPJMESA-N 1 0 346.475 1.855 20 10 EDCDRO [NH3+][C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841713254 594941699 /nfs/dbraw/zinc/94/16/99/594941699.db2.gz WQGHNJJTZIAJOD-OAHLLOKOSA-N 1 0 336.411 1.199 20 10 EDCDRO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCOCC2)cc1 ZINC000841729151 594944435 /nfs/dbraw/zinc/94/44/35/594944435.db2.gz CKDLRCXNMNCHTB-MRXNPFEDSA-N 1 0 346.475 1.712 20 10 EDCDRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742282 594946212 /nfs/dbraw/zinc/94/62/12/594946212.db2.gz VLGBSSPDQYBKJP-MAUKXSAKSA-N 1 0 346.475 1.978 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000841779201 594951062 /nfs/dbraw/zinc/95/10/62/594951062.db2.gz NLWJAKVJXBDCLC-HNNXBMFYSA-N 1 0 332.448 1.715 20 10 EDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@@H]21 ZINC000836319587 594951097 /nfs/dbraw/zinc/95/10/97/594951097.db2.gz CQKHKEMXWPGSHE-AEFFLSMTSA-N 1 0 326.444 1.908 20 10 EDCDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000841831747 594959160 /nfs/dbraw/zinc/95/91/60/594959160.db2.gz DLHLEPRFQCFRRJ-RHSMWYFYSA-N 1 0 330.432 1.320 20 10 EDCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957410 594989278 /nfs/dbraw/zinc/98/92/78/594989278.db2.gz AZBXLUMKLRPMHR-AWEZNQCLSA-N 1 0 334.464 1.298 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842012550 595002582 /nfs/dbraw/zinc/00/25/82/595002582.db2.gz YEMLJAQFCPEGSM-QGZVFWFLSA-N 1 0 334.464 1.661 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000842036631 595006666 /nfs/dbraw/zinc/00/66/66/595006666.db2.gz PRSNJLVUKODQKO-KRWDZBQOSA-N 1 0 346.475 1.393 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000842154135 595024786 /nfs/dbraw/zinc/02/47/86/595024786.db2.gz RQIUDGBYSRQUHT-UHFFFAOYSA-N 1 0 346.475 1.183 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)cc1 ZINC000842166184 595027414 /nfs/dbraw/zinc/02/74/14/595027414.db2.gz JIBSBDCFEANNNH-MRXNPFEDSA-N 1 0 333.432 1.396 20 10 EDCDRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000842203115 595036806 /nfs/dbraw/zinc/03/68/06/595036806.db2.gz OXVATUJOAQWPBJ-CQSZACIVSA-N 1 0 346.475 1.388 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000842203092 595037185 /nfs/dbraw/zinc/03/71/85/595037185.db2.gz OMKPBVYROWBFQC-UMVBOHGHSA-N 1 0 332.448 1.187 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000842207181 595038608 /nfs/dbraw/zinc/03/86/08/595038608.db2.gz MOLIUONSZCJDJG-GDBMZVCRSA-N 1 0 346.475 1.345 20 10 EDCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000842225051 595044457 /nfs/dbraw/zinc/04/44/57/595044457.db2.gz GPPNNSOOVOMBGZ-NVXWUHKLSA-N 1 0 326.412 1.274 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000842258800 595057626 /nfs/dbraw/zinc/05/76/26/595057626.db2.gz LPWWUKNZLNMWBD-RDJZCZTQSA-N 1 0 346.475 1.345 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000842264184 595059410 /nfs/dbraw/zinc/05/94/10/595059410.db2.gz DVMCLMVONQTRSA-IBGZPJMESA-N 1 0 347.459 1.637 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC(C)(C)[NH3+] ZINC000843489042 595127169 /nfs/dbraw/zinc/12/71/69/595127169.db2.gz BYQKSBOMIJDKCM-UHFFFAOYSA-N 1 0 328.796 1.675 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000846147108 595156635 /nfs/dbraw/zinc/15/66/35/595156635.db2.gz TUINKLRVJNANAX-GDBMZVCRSA-N 1 0 349.475 1.994 20 10 EDCDRO C[C@H]1CCCN(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000842783910 595196750 /nfs/dbraw/zinc/19/67/50/595196750.db2.gz FJXYQZQWSHPHMK-BBRMVZONSA-N 1 0 340.493 1.319 20 10 EDCDRO Cc1cc(CS(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)on1 ZINC000842784872 595197647 /nfs/dbraw/zinc/19/76/47/595197647.db2.gz MRRVVWZTTZCBTN-OAHLLOKOSA-N 1 0 338.433 1.168 20 10 EDCDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000842784136 595197658 /nfs/dbraw/zinc/19/76/58/595197658.db2.gz GWEVOWSIZINRPX-MRXNPFEDSA-N 1 0 334.445 1.434 20 10 EDCDRO COc1c(O)c(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)ccc1[N+](=O)[O-] ZINC000835073573 595257456 /nfs/dbraw/zinc/25/74/56/595257456.db2.gz NJYNENGIHDVSJI-VXGBXAGGSA-N 1 0 335.360 1.552 20 10 EDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c(Cl)c1 ZINC000843065374 595278647 /nfs/dbraw/zinc/27/86/47/595278647.db2.gz LJCNHNDMVDQORG-ZDUSSCGKSA-N 1 0 337.851 1.750 20 10 EDCDRO CO[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(F)(F)F ZINC000846664223 595295592 /nfs/dbraw/zinc/29/55/92/595295592.db2.gz XLGSGHSTYJDBPK-CHWSQXEVSA-N 1 0 333.354 1.836 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000844220760 595306104 /nfs/dbraw/zinc/30/61/04/595306104.db2.gz ANHLXGCZNFJRQC-GOSISDBHSA-N 1 0 330.476 1.537 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+][C@@H](C)[C@H]3C)CC2)cc1 ZINC000844222692 595307382 /nfs/dbraw/zinc/30/73/82/595307382.db2.gz KNSIHRLIIWTJBU-JKSUJKDBSA-N 1 0 346.475 1.026 20 10 EDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844223904 595308014 /nfs/dbraw/zinc/30/80/14/595308014.db2.gz KHMKSXGZHWEGHZ-RDJZCZTQSA-N 1 0 336.455 1.343 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000844224894 595308362 /nfs/dbraw/zinc/30/83/62/595308362.db2.gz KKTFDZVSLQYUNF-HXUWFJFHSA-N 1 0 344.503 1.787 20 10 EDCDRO C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225989 595309710 /nfs/dbraw/zinc/30/97/10/595309710.db2.gz KGZUWCNJHRNPJF-NVXWUHKLSA-N 1 0 332.492 1.628 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000844398719 595336613 /nfs/dbraw/zinc/33/66/13/595336613.db2.gz AGBRVBVNXAIESK-QAPCUYQASA-N 1 0 349.475 1.747 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848407114 595374525 /nfs/dbraw/zinc/37/45/25/595374525.db2.gz MHNRHSWVUCZQCO-ICSRJNTNSA-N 1 0 343.471 1.871 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCC(Cn3cnnc3)CC1)[C@H](O)CO2 ZINC000844734987 595385940 /nfs/dbraw/zinc/38/59/40/595385940.db2.gz AGDOOJJOOLQIPA-MRXNPFEDSA-N 1 0 330.388 1.322 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNCc3nnn(C(C)(C)C)n3)cc2)CC1 ZINC000848564593 595405995 /nfs/dbraw/zinc/40/59/95/595405995.db2.gz PADFFAFNUPRPDO-UHFFFAOYSA-N 1 0 343.479 1.470 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000848898386 595464921 /nfs/dbraw/zinc/46/49/21/595464921.db2.gz UUPZUYSMHRIAOA-KBXCAEBGSA-N 1 0 331.416 1.765 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000848910249 595466256 /nfs/dbraw/zinc/46/62/56/595466256.db2.gz GVDPMNDKYCTALA-KDOFPFPSSA-N 1 0 331.416 1.907 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=[NH2+])NC3CCC3)CC2)cc1 ZINC000849111660 595483871 /nfs/dbraw/zinc/48/38/71/595483871.db2.gz YZOCQNLFEMFLNZ-UHFFFAOYSA-N 1 0 331.464 1.484 20 10 EDCDRO COC(=O)CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849319857 595505642 /nfs/dbraw/zinc/50/56/42/595505642.db2.gz HEURQKSDYYFPMZ-YOEHRIQHSA-N 1 0 347.459 1.957 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC4CC3(C)C4)CC2)cc1 ZINC000852786963 595542788 /nfs/dbraw/zinc/54/27/88/595542788.db2.gz QPONPBSJDPDKOF-KGXSXCIVSA-N 1 0 345.487 1.662 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)n2cc(N)cn2)cc1 ZINC000852792311 595544655 /nfs/dbraw/zinc/54/46/55/595544655.db2.gz VKLIUYFMSAMUKL-OAHLLOKOSA-N 1 0 330.436 1.083 20 10 EDCDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000852860168 595582263 /nfs/dbraw/zinc/58/22/63/595582263.db2.gz LYVSXIMHTYOAFU-QGZVFWFLSA-N 1 0 349.450 1.791 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1F ZINC000858154606 595714876 /nfs/dbraw/zinc/71/48/76/595714876.db2.gz MLWBQVRMPCCIRY-OAHLLOKOSA-N 1 0 341.402 1.791 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1 ZINC000858228104 595736536 /nfs/dbraw/zinc/73/65/36/595736536.db2.gz YTCRHWDOGILLLS-CJISVDGZSA-N 1 0 330.476 1.695 20 10 EDCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000858292525 595754474 /nfs/dbraw/zinc/75/44/74/595754474.db2.gz KDPMGEMFEVYZQJ-UHFFFAOYSA-N 1 0 325.384 1.051 20 10 EDCDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858599286 595838307 /nfs/dbraw/zinc/83/83/07/595838307.db2.gz MHNCHTNADZURCA-ZBFHGGJFSA-N 1 0 337.439 1.380 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000851639120 595864366 /nfs/dbraw/zinc/86/43/66/595864366.db2.gz BHYFMKBPNIJLTB-SWLSCSKDSA-N 1 0 339.386 1.635 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000851664419 595874842 /nfs/dbraw/zinc/87/48/42/595874842.db2.gz ZDUGFKHKDYZZLJ-ZQIUZPCESA-N 1 0 332.448 1.571 20 10 EDCDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851681854 595882969 /nfs/dbraw/zinc/88/29/69/595882969.db2.gz RDEMRQROSGQWFH-MRXNPFEDSA-N 1 0 346.475 1.541 20 10 EDCDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000851682404 595883015 /nfs/dbraw/zinc/88/30/15/595883015.db2.gz WJUJICFRJIFMJW-GJZGRUSLSA-N 1 0 346.475 1.540 20 10 EDCDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(O)c1O ZINC000854332998 596039062 /nfs/dbraw/zinc/03/90/62/596039062.db2.gz LGPOHWUYMLYLSM-AWEZNQCLSA-N 1 0 334.416 1.733 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000861670624 596062033 /nfs/dbraw/zinc/06/20/33/596062033.db2.gz HTQKHVJRPKWQMO-XOKHGSTOSA-N 1 0 332.448 1.714 20 10 EDCDRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1O ZINC000866520607 596238739 /nfs/dbraw/zinc/23/87/39/596238739.db2.gz HADXDZJTTNBHTI-BONVTDFDSA-N 1 0 326.780 1.917 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866722980 596310548 /nfs/dbraw/zinc/31/05/48/596310548.db2.gz BFRJRRFFYMPLQS-MSOLQXFVSA-N 1 0 330.476 1.537 20 10 EDCDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000869295346 596476890 /nfs/dbraw/zinc/47/68/90/596476890.db2.gz SHDYDHQSIIYDPY-RBUKOAKNSA-N 1 0 345.487 1.994 20 10 EDCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865706547 596655810 /nfs/dbraw/zinc/65/58/10/596655810.db2.gz BUSVCKQGTRHMNT-UHFFFAOYSA-N 1 0 325.478 1.706 20 10 EDCDRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000872209846 596836961 /nfs/dbraw/zinc/83/69/61/596836961.db2.gz XSPNXRUVJBEDNG-CYBMUJFWSA-N 1 0 344.402 1.413 20 10 EDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873099645 597193706 /nfs/dbraw/zinc/19/37/06/597193706.db2.gz PPZLSJZDPUSZIE-DLBZAZTESA-N 1 0 342.443 1.944 20 10 EDCDRO COc1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1Cn1cccn1 ZINC000873107703 597197397 /nfs/dbraw/zinc/19/73/97/597197397.db2.gz PUHMEMYNRWVING-SFHVURJKSA-N 1 0 330.432 1.096 20 10 EDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1Cn1cccn1 ZINC000873116793 597200951 /nfs/dbraw/zinc/20/09/51/597200951.db2.gz NAUFDIYYOVPTQJ-KBXCAEBGSA-N 1 0 331.416 1.570 20 10 EDCDRO COc1ccc(C[NH2+][C@H](C)C(=O)N(C)OC)cc1Cn1cccn1 ZINC000873146444 597211446 /nfs/dbraw/zinc/21/14/46/597211446.db2.gz SNTSWWYNHSXZSP-CYBMUJFWSA-N 1 0 332.404 1.438 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@]2(COC)C[NH2+]CCO2)cc1 ZINC000876728318 597308892 /nfs/dbraw/zinc/30/88/92/597308892.db2.gz JCQHLTWZYSWBQH-GOSISDBHSA-N 1 0 335.448 1.154 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000875390427 597410422 /nfs/dbraw/zinc/41/04/22/597410422.db2.gz FBIDWVQJCBNUFP-AEFFLSMTSA-N 1 0 347.459 1.878 20 10 EDCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877089582 597429635 /nfs/dbraw/zinc/42/96/35/597429635.db2.gz OIOMOXBMELXXJT-INIZCTEOSA-N 1 0 331.460 1.748 20 10 EDCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000877138646 597440778 /nfs/dbraw/zinc/44/07/78/597440778.db2.gz AAOHBHYNFHIDJA-ZBFHGGJFSA-N 1 0 325.430 1.527 20 10 EDCDRO C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)c1ccccc1O ZINC000877256074 597480947 /nfs/dbraw/zinc/48/09/47/597480947.db2.gz MQMWULLPRCSGBX-CHWSQXEVSA-N 1 0 329.404 1.789 20 10 EDCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC000877563947 597536449 /nfs/dbraw/zinc/53/64/49/597536449.db2.gz RPYJGZJDYNQNET-KRWDZBQOSA-N 1 0 326.387 1.850 20 10 EDCDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1 ZINC000877667105 597546199 /nfs/dbraw/zinc/54/61/99/597546199.db2.gz DDCZXVGIWBSNTH-WOQGQJNTSA-N 1 0 327.428 1.750 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000877794166 597558108 /nfs/dbraw/zinc/55/81/08/597558108.db2.gz UDFJIXQUYWBSBO-KBPBESRZSA-N 1 0 325.430 1.657 20 10 EDCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000130892269 597637931 /nfs/dbraw/zinc/63/79/31/597637931.db2.gz XCAYKXSTGMDBLI-XMHCIUCPSA-N 1 0 328.453 1.861 20 10 EDCDRO COC(=O)c1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)n(C)c1C ZINC000883345272 597720278 /nfs/dbraw/zinc/72/02/78/597720278.db2.gz XUPIAMYHOPABOA-UHFFFAOYSA-N 1 0 332.356 1.844 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cncc(F)c3)cc2)CC1 ZINC000881850735 597753703 /nfs/dbraw/zinc/75/37/03/597753703.db2.gz DWXXPEBORPXSBX-UHFFFAOYSA-N 1 0 328.391 1.903 20 10 EDCDRO COC(=O)C[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852872 597755268 /nfs/dbraw/zinc/75/52/68/597755268.db2.gz DMCYKJRBWJRTHN-OAHLLOKOSA-N 1 0 347.459 1.644 20 10 EDCDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000881852693 597755494 /nfs/dbraw/zinc/75/54/94/597755494.db2.gz YQJAFOGCGZRYCG-NVXWUHKLSA-N 1 0 331.460 1.870 20 10 EDCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@]3(C)CO)cc2)CC1 ZINC000878981387 597774040 /nfs/dbraw/zinc/77/40/40/597774040.db2.gz KKSPKMCCSBEMGQ-IEBWSBKVSA-N 1 0 334.460 1.619 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](OC)CC[C@@H]1C)cc2=O ZINC000879323252 597886339 /nfs/dbraw/zinc/88/63/39/597886339.db2.gz XVHDCMONVSXZMY-AAEUAGOBSA-N 1 0 348.403 1.611 20 10 EDCDRO CCN(C)c1ccc(Cn2cc(CN3CC[NH+](C)CC3)nn2)cc1 ZINC000881316561 598124536 /nfs/dbraw/zinc/12/45/36/598124536.db2.gz VWMGSBGFGFJWQG-UHFFFAOYSA-N 1 0 328.464 1.530 20 10 EDCDRO COCCC[N@H+](C)CCNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000152529252 695257213 /nfs/dbraw/zinc/25/72/13/695257213.db2.gz JWBXPRPCISPSFV-UHFFFAOYSA-N 1 0 344.415 1.949 20 10 EDCDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 ZINC000917397581 697009538 /nfs/dbraw/zinc/00/95/38/697009538.db2.gz VKAGBTWPOPSOMS-KRWDZBQOSA-N 1 0 339.443 1.777 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)NC2CN(CC[C@H]3CCCO3)C2)cc1 ZINC001031464396 697144133 /nfs/dbraw/zinc/14/41/33/697144133.db2.gz QLNBAAOWYDGYDM-OAHLLOKOSA-N 1 0 345.403 1.832 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3csc(CO)n3)cc2)CC1 ZINC000918847037 697215962 /nfs/dbraw/zinc/21/59/62/697215962.db2.gz WXTIMEXARSZNLG-UHFFFAOYSA-N 1 0 346.456 1.317 20 10 EDCDRO CCO[C@H](CNC(=O)NCc1ccc(N(C)C)cc1C)C[NH+](C)C ZINC000919081263 697238953 /nfs/dbraw/zinc/23/89/53/697238953.db2.gz JCPLTXIIDZDWGB-QGZVFWFLSA-N 1 0 336.480 1.827 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)cc1C ZINC000939211469 699360017 /nfs/dbraw/zinc/36/00/17/699360017.db2.gz SDJUHDUNWXWQCT-RHSMWYFYSA-N 1 0 342.443 1.906 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000186166637 703718137 /nfs/dbraw/zinc/71/81/37/703718137.db2.gz STOTURKZUWFQGO-RYUDHWBXSA-N 1 0 328.434 1.333 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3cnnn3C)C2)cc1C ZINC000999076315 706496413 /nfs/dbraw/zinc/49/64/13/706496413.db2.gz YRWMGOAGCDCFIY-OAHLLOKOSA-N 1 0 343.431 1.527 20 10 EDCDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCN1C1CCOCC1 ZINC000921812340 708080163 /nfs/dbraw/zinc/08/01/63/708080163.db2.gz SBOMHJKAOVODIA-KRWDZBQOSA-N 1 0 330.428 1.881 20 10 EDCDRO C[C@@H](O)C[NH+]1CCC(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001002158396 708672699 /nfs/dbraw/zinc/67/26/99/708672699.db2.gz CHDORJFHYVFGJL-GFCCVEGCSA-N 1 0 347.419 1.672 20 10 EDCDRO 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CC[NH+]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264657237 443363953 /nfs/dbraw/zinc/36/39/53/443363953.db2.gz SCZJGABGNQIGOP-VMPITWQZSA-N 1 0 329.444 1.701 20 10 EDCDRO COc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)c1O ZINC000267181381 443369905 /nfs/dbraw/zinc/36/99/05/443369905.db2.gz MWMYHNAWLCXKCV-MRXNPFEDSA-N 1 0 339.461 1.637 20 10 EDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000278736393 443419096 /nfs/dbraw/zinc/41/90/96/443419096.db2.gz QZFWGDYHGPXOQD-HOTGVXAUSA-N 1 0 340.439 1.738 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000282845438 443449667 /nfs/dbraw/zinc/44/96/67/443449667.db2.gz WTQAZVDTYVTAMH-SFHVURJKSA-N 1 0 347.459 1.236 20 10 EDCDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCc1ccccc1O ZINC000275425042 443627491 /nfs/dbraw/zinc/62/74/91/443627491.db2.gz ASYBMTLQWXKXCE-UHFFFAOYSA-N 1 0 341.411 1.751 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1F ZINC000279864092 443633054 /nfs/dbraw/zinc/63/30/54/443633054.db2.gz CBYROKBSDBCZTG-KBPBESRZSA-N 1 0 335.423 1.871 20 10 EDCDRO C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nncn1C ZINC000274123971 443596553 /nfs/dbraw/zinc/59/65/53/443596553.db2.gz XNIDLKLWIKVIIU-CYBMUJFWSA-N 1 0 330.436 1.190 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+](CC)CCO)cc1 ZINC000274708584 443610322 /nfs/dbraw/zinc/61/03/22/443610322.db2.gz ZVFDGZJSBWRKQN-UHFFFAOYSA-N 1 0 336.480 1.646 20 10 EDCDRO COCCOCCOCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000276271863 443678895 /nfs/dbraw/zinc/67/88/95/443678895.db2.gz QJANKFIZDPYHMA-UHFFFAOYSA-N 1 0 343.395 1.845 20 10 EDCDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000280443608 443714123 /nfs/dbraw/zinc/71/41/23/443714123.db2.gz CSNLUPUIJNQBMV-NSHDSACASA-N 1 0 345.365 1.694 20 10 EDCDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(F)ccc(O)c2O)C[C@H](C)O1 ZINC000276574524 443752131 /nfs/dbraw/zinc/75/21/31/443752131.db2.gz LKRASISSXQXLIV-PHIMTYICSA-N 1 0 326.368 1.466 20 10 EDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285402522 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CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000733298589 578758446 /nfs/dbraw/zinc/75/84/46/578758446.db2.gz WXEXVUJPPLUILW-CYBMUJFWSA-N 1 0 335.429 1.454 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000748561933 579692929 /nfs/dbraw/zinc/69/29/29/579692929.db2.gz UVQNONYWTHYMPR-DOTOQJQBSA-N 1 0 344.459 1.099 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC=CCC3)CC2)cc1 ZINC000754260625 579899741 /nfs/dbraw/zinc/89/97/41/579899741.db2.gz CDYPFQUBHYYPLI-GOSISDBHSA-N 1 0 331.460 1.440 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000754358976 579901785 /nfs/dbraw/zinc/90/17/85/579901785.db2.gz QCGVICBJUCVESK-GOSISDBHSA-N 1 0 345.487 1.710 20 10 EDCDRO CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756407641 579949588 /nfs/dbraw/zinc/94/95/88/579949588.db2.gz DTSKCAOQOGVDQD-HNNXBMFYSA-N 1 0 349.475 1.857 20 10 EDCDRO C[C@H]([NH2+]CCc1nnnn1C)c1cc(Br)ccc1O ZINC000756676932 579954692 /nfs/dbraw/zinc/95/46/92/579954692.db2.gz NIGXZEPHRFWPHJ-QMMMGPOBSA-N 1 0 326.198 1.572 20 10 EDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000768235243 580209506 /nfs/dbraw/zinc/20/95/06/580209506.db2.gz YUYPVCQMJQMQDB-AWEZNQCLSA-N 1 0 334.416 1.472 20 10 EDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000768235244 580209523 /nfs/dbraw/zinc/20/95/23/580209523.db2.gz YUYPVCQMJQMQDB-CQSZACIVSA-N 1 0 334.416 1.472 20 10 EDCDRO CCN(CC)C(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768441165 580212853 /nfs/dbraw/zinc/21/28/53/580212853.db2.gz WVIFUSHFARMVCL-KRWDZBQOSA-N 1 0 348.443 1.898 20 10 EDCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768444871 580212888 /nfs/dbraw/zinc/21/28/88/580212888.db2.gz DABYVJXVGPOKFL-XJKSGUPXSA-N 1 0 332.400 1.405 20 10 EDCDRO CCOC(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768443290 580213029 /nfs/dbraw/zinc/21/30/29/580213029.db2.gz DUIZBGAKGCWORH-HNNXBMFYSA-N 1 0 336.388 1.482 20 10 EDCDRO COc1cc(CN2CC[NH+](CCC(=O)N(C)C)CC2)c(O)cc1C ZINC000768461394 580213739 /nfs/dbraw/zinc/21/37/39/580213739.db2.gz CDCXKWJDYCBAPF-UHFFFAOYSA-N 1 0 335.448 1.305 20 10 EDCDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465507 580214142 /nfs/dbraw/zinc/21/41/42/580214142.db2.gz IEVHYYBGLRYQAS-RDTXWAMCSA-N 1 0 332.444 1.982 20 10 EDCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000769464431 580237672 /nfs/dbraw/zinc/23/76/72/580237672.db2.gz XFUKCMJTVAIWOO-NSHDSACASA-N 1 0 343.221 1.826 20 10 EDCDRO CCOc1ccc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)c(O)c1 ZINC000769512440 580238815 /nfs/dbraw/zinc/23/88/15/580238815.db2.gz DURZETNSRRBQIO-UHFFFAOYSA-N 1 0 329.400 1.926 20 10 EDCDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775261314 580387105 /nfs/dbraw/zinc/38/71/05/580387105.db2.gz UXVSNTJYBWAWLB-HOTGVXAUSA-N 1 0 347.459 1.421 20 10 EDCDRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835192 580402195 /nfs/dbraw/zinc/40/21/95/580402195.db2.gz FZUWQXJICFQTHV-AWEZNQCLSA-N 1 0 328.478 1.855 20 10 EDCDRO CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000778401763 580464310 /nfs/dbraw/zinc/46/43/10/580464310.db2.gz YRQFGIOKLUACPN-IBGZPJMESA-N 1 0 347.459 1.191 20 10 EDCDRO CCOCCOC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779432180 580485528 /nfs/dbraw/zinc/48/55/28/580485528.db2.gz MXFOAYRCWSEFLS-UHFFFAOYSA-N 1 0 333.476 1.676 20 10 EDCDRO O=C1NC(=O)N2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@H]12 ZINC000779433121 580485574 /nfs/dbraw/zinc/48/55/74/580485574.db2.gz QJDOAJJSZZZDSY-MRXNPFEDSA-N 1 0 337.379 1.795 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000779505162 580487325 /nfs/dbraw/zinc/48/73/25/580487325.db2.gz GIRQLTBQEZORCI-YERXGYGTSA-N 1 0 346.427 1.824 20 10 EDCDRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788910578 580732314 /nfs/dbraw/zinc/73/23/14/580732314.db2.gz MEAYVFAETQMUMI-UHFFFAOYSA-N 1 0 346.475 1.313 20 10 EDCDRO Cc1ccncc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000792977777 580832803 /nfs/dbraw/zinc/83/28/03/580832803.db2.gz NWRCBTUXXWDROU-UHFFFAOYSA-N 1 0 345.468 1.915 20 10 EDCDRO COc1ccc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)c(O)c1 ZINC000793388631 580843238 /nfs/dbraw/zinc/84/32/38/580843238.db2.gz QLIWPEDCWWVARL-UHFFFAOYSA-N 1 0 346.431 1.569 20 10 EDCDRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000795660049 580933241 /nfs/dbraw/zinc/93/32/41/580933241.db2.gz YBZKUIOOQMZLJQ-INIZCTEOSA-N 1 0 338.473 1.737 20 10 EDCDRO CN(C(=O)c1ccoc1CC(N)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000796362039 580952046 /nfs/dbraw/zinc/95/20/46/580952046.db2.gz JABQTKDUEQNJHR-UHFFFAOYSA-N 1 0 345.399 1.524 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cc[nH]n2)[NH+](C)C)cc1 ZINC000892064002 590779782 /nfs/dbraw/zinc/77/97/82/590779782.db2.gz SUCKVQCALJOFLW-INIZCTEOSA-N 1 0 330.436 1.578 20 10 EDCDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891241656 591013035 /nfs/dbraw/zinc/01/30/35/591013035.db2.gz BZSPHRPEQMLBOC-ARFHVFGLSA-N 1 0 333.432 1.281 20 10 EDCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC000891251075 591019268 /nfs/dbraw/zinc/01/92/68/591019268.db2.gz DAAGLVCYOLTUGO-QGZVFWFLSA-N 1 0 327.432 1.884 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000840954495 591026936 /nfs/dbraw/zinc/02/69/36/591026936.db2.gz KDARATBZYNTRTF-UHFFFAOYSA-N 1 0 340.445 1.401 20 10 EDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000840974606 591060285 /nfs/dbraw/zinc/06/02/85/591060285.db2.gz COSKFJJOVFFTRH-YPMHNXCESA-N 1 0 330.222 1.638 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC000895651091 591237936 /nfs/dbraw/zinc/23/79/36/591237936.db2.gz SXXPYSMLBJMQJS-JKSUJKDBSA-N 1 0 346.475 1.915 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000895779967 591274042 /nfs/dbraw/zinc/27/40/42/591274042.db2.gz XKBPZDANBDOFBK-GOSISDBHSA-N 1 0 331.460 1.870 20 10 EDCDRO COC(=O)c1c(C[NH2+]C[C@@]2(O)CCOC2)c2cc(F)ccc2n1C ZINC000894359783 591289334 /nfs/dbraw/zinc/28/93/34/591289334.db2.gz RJAZJYTWGSIELE-KRWDZBQOSA-N 1 0 336.363 1.345 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000896314609 591421741 /nfs/dbraw/zinc/42/17/41/591421741.db2.gz KNYJVUAMVOVKDP-UHFFFAOYSA-N 1 0 347.506 1.208 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3N=NC(=O)N3C)CC2)cc1 ZINC000895175581 591641238 /nfs/dbraw/zinc/64/12/38/591641238.db2.gz KIYQMYYVFSABLY-GFCCVEGCSA-N 1 0 331.420 1.849 20 10 EDCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1N=NC(=O)N1C ZINC000895179738 591643973 /nfs/dbraw/zinc/64/39/73/591643973.db2.gz JFKADISFEMHMHT-ZETCQYMHSA-N 1 0 327.182 1.840 20 10 EDCDRO C[NH+](C)CCOCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788017437 591648277 /nfs/dbraw/zinc/64/82/77/591648277.db2.gz KLZBQOIPNBLHEI-UHFFFAOYSA-N 1 0 334.464 1.664 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](C)(O)C2)[NH+](C)C)cc1 ZINC000899101380 591681885 /nfs/dbraw/zinc/68/18/85/591681885.db2.gz HLFKKDYHPCWQLN-AEFFLSMTSA-N 1 0 334.464 1.522 20 10 EDCDRO COC[C@@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101268 591681961 /nfs/dbraw/zinc/68/19/61/591681961.db2.gz GWXHADNELFYLLE-DLBZAZTESA-N 1 0 334.464 1.786 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@]2(C)CO)[NH+](C)C)cc1 ZINC000899103566 591683513 /nfs/dbraw/zinc/68/35/13/591683513.db2.gz MWUVTNIOMXITKJ-IEBWSBKVSA-N 1 0 348.491 1.912 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@](C)(CO)C2CC2)[NH+](C)C)cc1 ZINC000899103042 591683623 /nfs/dbraw/zinc/68/36/23/591683623.db2.gz VOTUELVYHXEJCS-IEBWSBKVSA-N 1 0 348.491 1.816 20 10 EDCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000898084241 591783095 /nfs/dbraw/zinc/78/30/95/591783095.db2.gz IPYJTYLSSAWUQG-LLVKDONJSA-N 1 0 334.397 1.204 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)[C@@H](O)CO2 ZINC000902606153 592023959 /nfs/dbraw/zinc/02/39/59/592023959.db2.gz MVVAOEARPRDOGJ-JDFRZJQESA-N 1 0 335.400 1.445 20 10 EDCDRO C[C@H]([NH2+]CCCc1nnnn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903346028 592156772 /nfs/dbraw/zinc/15/67/72/592156772.db2.gz ZQEDFQSZIBHDTC-ZDUSSCGKSA-N 1 0 348.426 1.469 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903857522 592348521 /nfs/dbraw/zinc/34/85/21/592348521.db2.gz VETWMJGVHVMOCW-VQIMIIECSA-N 1 0 330.476 1.524 20 10 EDCDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)COC(=O)N1 ZINC000905708037 592617976 /nfs/dbraw/zinc/61/79/76/592617976.db2.gz MPJWLMNYXUDCSE-PXAZEXFGSA-N 1 0 334.372 1.831 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000911226148 592969448 /nfs/dbraw/zinc/96/94/48/592969448.db2.gz OKFAOLWTRWAASA-SWLSCSKDSA-N 1 0 332.448 1.044 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC000911277028 592974531 /nfs/dbraw/zinc/97/45/31/592974531.db2.gz RIVWMPKVLIRRLS-HNNXBMFYSA-N 1 0 329.444 1.734 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@](C)(O)C(F)(F)F)cc1 ZINC000911667722 592974664 /nfs/dbraw/zinc/97/46/64/592974664.db2.gz RDDAMTINJPHZMG-JSGCOSHPSA-N 1 0 333.354 1.572 20 10 EDCDRO O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1)N1CCCC1 ZINC000808207051 593239301 /nfs/dbraw/zinc/23/93/01/593239301.db2.gz MNYXHCSGKXDRRK-WBMJQRKESA-N 1 0 332.400 1.262 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](C(F)F)C3)cc2)CC1 ZINC000802653777 593268546 /nfs/dbraw/zinc/26/85/46/593268546.db2.gz SLYOBCWGFFJDBD-MRXNPFEDSA-N 1 0 325.403 1.904 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000839502758 593311750 /nfs/dbraw/zinc/31/17/50/593311750.db2.gz KVGTVTXRGBKORQ-SJLPKXTDSA-N 1 0 331.460 1.870 20 10 EDCDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000810211093 593388587 /nfs/dbraw/zinc/38/85/87/593388587.db2.gz MEFITDHDWZBPSW-OAHLLOKOSA-N 1 0 333.411 1.822 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CC(C4CC4)C3)CC2)cc1 ZINC000812312753 593495768 /nfs/dbraw/zinc/49/57/68/593495768.db2.gz FTUMBKXAFMPYIU-LJQANCHMSA-N 1 0 345.487 1.520 20 10 EDCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000817283246 593588715 /nfs/dbraw/zinc/58/87/15/593588715.db2.gz QXIGLARCINWRNZ-MRXNPFEDSA-N 1 0 331.460 1.870 20 10 EDCDRO CCN(C)c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000815116479 593616271 /nfs/dbraw/zinc/61/62/71/593616271.db2.gz PDNCXXKNPBFWSE-UHFFFAOYSA-N 1 0 339.505 1.904 20 10 EDCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817888636 593645339 /nfs/dbraw/zinc/64/53/39/593645339.db2.gz NWQDIOAHCBSASC-GOEBONIOSA-N 1 0 337.439 1.519 20 10 EDCDRO COc1ccc(N2CCN(CCN[C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817892591 593645970 /nfs/dbraw/zinc/64/59/70/593645970.db2.gz BFZKJFYYKPOLTJ-PXNSSMCTSA-N 1 0 346.519 1.937 20 10 EDCDRO CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000817919668 593648623 /nfs/dbraw/zinc/64/86/23/593648623.db2.gz XSQLSWCKYNBFBU-QGZVFWFLSA-N 1 0 346.475 1.167 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC(C)(C)CC[NH3+])C2)cc1 ZINC000818655732 593710558 /nfs/dbraw/zinc/71/05/58/593710558.db2.gz PQHSHJCUYHYNOW-CQSZACIVSA-N 1 0 334.464 1.948 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000818656771 593710643 /nfs/dbraw/zinc/71/06/43/593710643.db2.gz YJOSRRIREBBTKX-ARFHVFGLSA-N 1 0 346.475 1.961 20 10 EDCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)S(C)(=O)=O ZINC000818964144 593730837 /nfs/dbraw/zinc/73/08/37/593730837.db2.gz MGOWCMFZHHKDMN-ZDUSSCGKSA-N 1 0 328.503 1.763 20 10 EDCDRO CC1CC[NH+](CCN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819165340 593742128 /nfs/dbraw/zinc/74/21/28/593742128.db2.gz UTVNYJOBQAJDEK-UHFFFAOYSA-N 1 0 331.416 1.888 20 10 EDCDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000823185047 594166265 /nfs/dbraw/zinc/16/62/65/594166265.db2.gz MUZOZNYBYZSBSY-SFHVURJKSA-N 1 0 332.492 1.641 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ncc[nH]3)cc2F)CC1 ZINC000826719618 594563632 /nfs/dbraw/zinc/56/36/32/594563632.db2.gz QKTSAQZGAIKVHI-UHFFFAOYSA-N 1 0 331.395 1.621 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827468873 594674994 /nfs/dbraw/zinc/67/49/94/594674994.db2.gz GARIYKAFTXZXQL-LXZKKBNFSA-N 1 0 344.459 1.003 20 10 EDCDRO COC(=O)N(C)CCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274770 594739564 /nfs/dbraw/zinc/73/95/64/594739564.db2.gz XXVBBVWSGYDSOB-HNNXBMFYSA-N 1 0 336.436 1.347 20 10 EDCDRO C[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(N(C)C)cc1 ZINC000840895958 594824624 /nfs/dbraw/zinc/82/46/24/594824624.db2.gz BWXISGINHJEFCU-CYBMUJFWSA-N 1 0 330.436 1.574 20 10 EDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c(O)c1 ZINC000840897331 594824856 /nfs/dbraw/zinc/82/48/56/594824856.db2.gz ROQNUBNAISTHND-CYBMUJFWSA-N 1 0 331.420 1.830 20 10 EDCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000840974813 594834215 /nfs/dbraw/zinc/83/42/15/594834215.db2.gz HPJGHVVKBUDZQA-CRAIPNDOSA-N 1 0 349.431 1.760 20 10 EDCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841018984 594840368 /nfs/dbraw/zinc/84/03/68/594840368.db2.gz BSZRNAQFGMAHSJ-ZDUSSCGKSA-N 1 0 332.448 1.834 20 10 EDCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069988 594847204 /nfs/dbraw/zinc/84/72/04/594847204.db2.gz HUIZMTAAMABQJD-LBPRGKRZSA-N 1 0 337.773 1.971 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000841655559 594931408 /nfs/dbraw/zinc/93/14/08/594931408.db2.gz SENDPRWQBMRAII-UHFFFAOYSA-N 1 0 334.464 1.792 20 10 EDCDRO [NH3+]CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000841710808 594941744 /nfs/dbraw/zinc/94/17/44/594941744.db2.gz XVIWQJPCIZZYTK-UHFFFAOYSA-N 1 0 346.353 1.300 20 10 EDCDRO CCC[NH2+]CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841712405 594941760 /nfs/dbraw/zinc/94/17/60/594941760.db2.gz PCUHGLLZADNUKZ-UHFFFAOYSA-N 1 0 338.427 1.461 20 10 EDCDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000841740524 594945758 /nfs/dbraw/zinc/94/57/58/594945758.db2.gz JXEQPBUUNIKFHH-GDBMZVCRSA-N 1 0 332.448 1.717 20 10 EDCDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841743905 594946946 /nfs/dbraw/zinc/94/69/46/594946946.db2.gz DDVWDLBELWDTOU-GFCCVEGCSA-N 1 0 325.840 1.860 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000841778929 594950533 /nfs/dbraw/zinc/95/05/33/594950533.db2.gz HYJMREDKAQSSPV-CQSZACIVSA-N 1 0 332.448 1.797 20 10 EDCDRO O=C(NCc1cc(Br)ccc1O)NCC1=CC[NH2+]CC1 ZINC000841973122 594993035 /nfs/dbraw/zinc/99/30/35/594993035.db2.gz MNBJNWMSERVSDZ-UHFFFAOYSA-N 1 0 340.221 1.874 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000842006135 595000338 /nfs/dbraw/zinc/00/03/38/595000338.db2.gz VNHPPXOCDGOJCC-AWEZNQCLSA-N 1 0 326.391 1.891 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000842152683 595024265 /nfs/dbraw/zinc/02/42/65/595024265.db2.gz HSHRHGDDVLYRSZ-CQSZACIVSA-N 1 0 346.475 1.263 20 10 EDCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170491 595028382 /nfs/dbraw/zinc/02/83/82/595028382.db2.gz HBWJTPCSEJZOAT-INIZCTEOSA-N 1 0 344.459 1.313 20 10 EDCDRO COCCCC[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000842173739 595028850 /nfs/dbraw/zinc/02/88/50/595028850.db2.gz STONEZZXDFJPEL-UHFFFAOYSA-N 1 0 349.475 1.702 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842202541 595037240 /nfs/dbraw/zinc/03/72/40/595037240.db2.gz IYHUKJBHMKJGPZ-MCIONIFRSA-N 1 0 332.448 1.139 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000842207188 595038842 /nfs/dbraw/zinc/03/88/42/595038842.db2.gz MPVVEAKDIPEOLH-YOEHRIQHSA-N 1 0 346.475 1.345 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842214947 595041646 /nfs/dbraw/zinc/04/16/46/595041646.db2.gz UPZWVLCUFCVBHM-CQSZACIVSA-N 1 0 332.448 1.017 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000843261267 595056487 /nfs/dbraw/zinc/05/64/87/595056487.db2.gz JTKVKIKQPATMBZ-KFWWJZLASA-N 1 0 348.491 1.350 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000843261269 595056522 /nfs/dbraw/zinc/05/65/22/595056522.db2.gz JTKVKIKQPATMBZ-ZNMIVQPWSA-N 1 0 348.491 1.350 20 10 EDCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CN1C1CC1 ZINC000846075309 595136818 /nfs/dbraw/zinc/13/68/18/595136818.db2.gz OMSXCIWANGKVSX-OAHLLOKOSA-N 1 0 347.434 1.763 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846156218 595160482 /nfs/dbraw/zinc/16/04/82/595160482.db2.gz CQHDOEFUZKUEBZ-NWDGAFQWSA-N 1 0 328.434 1.333 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000842784733 595197316 /nfs/dbraw/zinc/19/73/16/595197316.db2.gz LILXBPWZIKUAJG-HOTGVXAUSA-N 1 0 341.477 1.241 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000846329925 595208098 /nfs/dbraw/zinc/20/80/98/595208098.db2.gz HFBDXYQJEGYXDN-UHFFFAOYSA-N 1 0 346.475 1.183 20 10 EDCDRO [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843121082 595291774 /nfs/dbraw/zinc/29/17/74/595291774.db2.gz FEZLSIHVLKPBOJ-CYBMUJFWSA-N 1 0 340.265 1.634 20 10 EDCDRO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000843121488 595291929 /nfs/dbraw/zinc/29/19/29/595291929.db2.gz HXWXUFYMZDABMV-CYBMUJFWSA-N 1 0 340.811 1.433 20 10 EDCDRO Cc1cc(Br)c(O)c(CN2CCN(C)C[C@H]2C[NH3+])c1 ZINC000843122312 595292612 /nfs/dbraw/zinc/29/26/12/595292612.db2.gz QMEPWFFXXPHBFL-GFCCVEGCSA-N 1 0 328.254 1.538 20 10 EDCDRO CC[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000844223031 595307182 /nfs/dbraw/zinc/30/71/82/595307182.db2.gz PIHSOJZDHLWFPR-FUHWJXTLSA-N 1 0 332.492 1.770 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000844225591 595308903 /nfs/dbraw/zinc/30/89/03/595308903.db2.gz RUJAHORYQBRTKS-WMZOPIPTSA-N 1 0 330.476 1.395 20 10 EDCDRO O=C1CN(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCN1 ZINC000848559352 595405658 /nfs/dbraw/zinc/40/56/58/595405658.db2.gz YNGSAMONTZWEFK-UHFFFAOYSA-N 1 0 330.476 1.588 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000844905522 595411058 /nfs/dbraw/zinc/41/10/58/595411058.db2.gz CXKTZVGLYKLKLV-HNNXBMFYSA-N 1 0 334.464 1.867 20 10 EDCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000848897448 595464243 /nfs/dbraw/zinc/46/42/43/595464243.db2.gz IZGKCQDUVAZUSS-WBMJQRKESA-N 1 0 328.416 1.972 20 10 EDCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)c1O ZINC000848898903 595464718 /nfs/dbraw/zinc/46/47/18/595464718.db2.gz ZZQMLTQKMVRUKI-OAHLLOKOSA-N 1 0 328.416 1.892 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](N3CCOCC3)CC1)OCO2 ZINC000848929941 595468828 /nfs/dbraw/zinc/46/88/28/595468828.db2.gz LQRFBWADIOGTNG-OAHLLOKOSA-N 1 0 334.416 1.808 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccc(N)c2)cc1 ZINC000850586650 595538374 /nfs/dbraw/zinc/53/83/74/595538374.db2.gz BCTZLNUUIGOPIS-MRXNPFEDSA-N 1 0 334.445 1.313 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1C ZINC000858243897 595741363 /nfs/dbraw/zinc/74/13/63/595741363.db2.gz QBFOZHFROYYFFR-OAHLLOKOSA-N 1 0 338.415 1.815 20 10 EDCDRO Cc1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc[nH+]1 ZINC000853790326 595882008 /nfs/dbraw/zinc/88/20/08/595882008.db2.gz FBAXTIMMEXIPFO-UHFFFAOYSA-N 1 0 331.441 1.659 20 10 EDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000852003750 596003995 /nfs/dbraw/zinc/00/39/95/596003995.db2.gz AUTFMBIXEGOAQJ-QGZVFWFLSA-N 1 0 346.475 1.807 20 10 EDCDRO C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000852011868 596008112 /nfs/dbraw/zinc/00/81/12/596008112.db2.gz BLMDHMPJABNOOY-OAHLLOKOSA-N 1 0 346.475 1.787 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000861699296 596072139 /nfs/dbraw/zinc/07/21/39/596072139.db2.gz PZFHQPJILCBXHK-NUEKZKHPSA-N 1 0 333.432 1.833 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1C[C@@H](O)C13CCC3)cc2=O ZINC000852584962 596205990 /nfs/dbraw/zinc/20/59/90/596205990.db2.gz VMHMULZEADIWFO-QWHCGFSZSA-N 1 0 346.387 1.005 20 10 EDCDRO CN(C)c1cc(F)c(CN2CC[C@H](CS(C)(=O)=O)C2)cc1F ZINC000862372787 596313893 /nfs/dbraw/zinc/31/38/93/596313893.db2.gz AMAZXTUUDOALFB-NSHDSACASA-N 1 0 332.416 1.897 20 10 EDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)c1O ZINC000862550379 596344763 /nfs/dbraw/zinc/34/47/63/596344763.db2.gz DUEMOQRDJAWJQD-ZDUSSCGKSA-N 1 0 326.462 1.716 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1Cn1cccn1 ZINC000873009443 597158584 /nfs/dbraw/zinc/15/85/84/597158584.db2.gz LPAXXMHAUQDPFS-HNNXBMFYSA-N 1 0 335.429 1.217 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNCc3ccon3)CC2)cc1 ZINC000873009935 597159203 /nfs/dbraw/zinc/15/92/03/597159203.db2.gz XFXWVPPPOAMPPJ-UHFFFAOYSA-N 1 0 330.432 1.985 20 10 EDCDRO COc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873119909 597202190 /nfs/dbraw/zinc/20/21/90/597202190.db2.gz RLVAAJOGPNPJCH-AEFFLSMTSA-N 1 0 345.443 1.675 20 10 EDCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876569262 597244697 /nfs/dbraw/zinc/24/46/97/597244697.db2.gz DRCZUCPGQQLTEO-UHFFFAOYSA-N 1 0 326.462 1.994 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@]3(C)C[C@H](OC)C[NH2+]3)CC2)cc1 ZINC000876732858 597312203 /nfs/dbraw/zinc/31/22/03/597312203.db2.gz HVKNIIBWMCSCEM-PKOBYXMFSA-N 1 0 347.459 1.501 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000876781718 597338995 /nfs/dbraw/zinc/33/89/95/597338995.db2.gz MQAZBRQNLCZPSS-MLGOLLRUSA-N 1 0 339.386 1.431 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@]3(C)C[C@@H](OC)C[NH2+]3)C2)cc1 ZINC000876930875 597388853 /nfs/dbraw/zinc/38/88/53/597388853.db2.gz FUEILBWRFAOIGY-BJZITVGISA-N 1 0 347.459 1.405 20 10 EDCDRO COC[C@@]1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCCC[NH2+]1 ZINC000876949242 597394091 /nfs/dbraw/zinc/39/40/91/597394091.db2.gz PMKZSOZKPJBFKQ-LJQANCHMSA-N 1 0 349.475 1.749 20 10 EDCDRO CN(CC1CCS(=O)(=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000877343466 597496555 /nfs/dbraw/zinc/49/65/55/597496555.db2.gz YMNXOAVQJWDUMI-UHFFFAOYSA-N 1 0 340.489 1.888 20 10 EDCDRO OCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCOCC1 ZINC000877459764 597518923 /nfs/dbraw/zinc/51/89/23/597518923.db2.gz KNSIBLNHQIHFCR-UHFFFAOYSA-N 1 0 334.460 1.621 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)cc1F ZINC000878180371 597584702 /nfs/dbraw/zinc/58/47/02/597584702.db2.gz AGVHXMOQQZXUIY-CQSZACIVSA-N 1 0 331.395 1.735 20 10 EDCDRO CC(=O)N[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000881849919 597753691 /nfs/dbraw/zinc/75/36/91/597753691.db2.gz XDPNGFQMVHPQSS-SFHVURJKSA-N 1 0 346.475 1.215 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCOC4)cc2)CC1 ZINC000881852517 597755236 /nfs/dbraw/zinc/75/52/36/597755236.db2.gz UDZSILSTIKTAAQ-PKOBYXMFSA-N 1 0 329.444 1.481 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnn4c3CCC4)cc2)CC1 ZINC000881853321 597755743 /nfs/dbraw/zinc/75/57/43/597755743.db2.gz QZLAGCIIVLLOTG-UHFFFAOYSA-N 1 0 339.443 1.511 20 10 EDCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1O ZINC000880069255 597830229 /nfs/dbraw/zinc/83/02/29/597830229.db2.gz BFINUYIILLFMHZ-LSDHHAIUSA-N 1 0 338.835 1.889 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC=CO3)cc2)CC1 ZINC000883634878 597839913 /nfs/dbraw/zinc/83/99/13/597839913.db2.gz FYYNZEWQNGMFQL-SFHVURJKSA-N 1 0 344.459 1.930 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(F)CC3)CC2)cc1 ZINC000880243061 597880476 /nfs/dbraw/zinc/88/04/76/597880476.db2.gz ROHMMOVTNFVTTG-UHFFFAOYSA-N 1 0 335.423 1.778 20 10 EDCDRO C[NH+](C)Cc1ccnc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000880597947 597977060 /nfs/dbraw/zinc/97/70/60/597977060.db2.gz IDEIORWEYWSMAU-UHFFFAOYSA-N 1 0 330.388 1.919 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccoc3)cc2)CC1 ZINC000882662946 598016058 /nfs/dbraw/zinc/01/60/58/598016058.db2.gz PDJZWONOTWAZJG-UHFFFAOYSA-N 1 0 335.429 1.510 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000882880158 598093698 /nfs/dbraw/zinc/09/36/98/598093698.db2.gz DTJSNTJJZKTHGA-UHFFFAOYSA-N 1 0 328.376 1.749 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@](C)(O)C3CCC3)cc2)CC1 ZINC000918846180 697215858 /nfs/dbraw/zinc/21/58/58/697215858.db2.gz QBSWRXCILICHQY-LJQANCHMSA-N 1 0 331.460 1.606 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3nc[nH]n3)CC2(C)C)cc1C ZINC000996425647 702780621 /nfs/dbraw/zinc/78/06/21/702780621.db2.gz DDKGCRUJUDNNNH-HNNXBMFYSA-N 1 0 343.431 1.762 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)cc1C ZINC000999893293 707487074 /nfs/dbraw/zinc/48/70/74/707487074.db2.gz HZRWDLADKWXSAH-HZPDHXFCSA-N 1 0 345.443 1.220 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246938861 249313130 /nfs/dbraw/zinc/31/31/30/249313130.db2.gz WUILHRLIJXVPAF-FUHWJXTLSA-N 1 0 331.460 1.870 20 10 EDCDRO CN(C)c1ccc(C2=CC[N@H+](CCCN3C(=O)CNC3=O)C2)cc1 ZINC000361110465 250170439 /nfs/dbraw/zinc/17/04/39/250170439.db2.gz VVYIBQRGCHTCRQ-UHFFFAOYSA-N 1 0 328.416 1.394 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000373492523 250240514 /nfs/dbraw/zinc/24/05/14/250240514.db2.gz FDWYXMUCAZJMHD-APWZRJJASA-N 1 0 332.444 1.903 20 10 EDCDRO COc1ccc(O)c(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000375021956 250277695 /nfs/dbraw/zinc/27/76/95/250277695.db2.gz QDVMKNVJYWUOEO-KRWDZBQOSA-N 1 0 333.388 1.211 20 10 EDCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283658629 300216278 /nfs/dbraw/zinc/21/62/78/300216278.db2.gz YCPDEDZYVGQEQQ-YOEHRIQHSA-N 1 0 346.475 1.167 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419701290 447359173 /nfs/dbraw/zinc/35/91/73/447359173.db2.gz ANSMKHWATJMPIF-CQSZACIVSA-N 1 0 342.443 1.219 20 10 EDCDRO O=C(NCC[NH+]1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000054786782 441597246 /nfs/dbraw/zinc/59/72/46/441597246.db2.gz FFURXSSHBLCZGD-UHFFFAOYSA-N 1 0 346.475 1.808 20 10 EDCDRO COc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000092071834 441772277 /nfs/dbraw/zinc/77/22/77/441772277.db2.gz YUWFMAVVCLWIFR-CYBMUJFWSA-N 1 0 326.418 1.057 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092218102 441781007 /nfs/dbraw/zinc/78/10/07/441781007.db2.gz ITYZSQZCMUKRTA-HXUWFJFHSA-N 1 0 345.487 1.820 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164220269 442192759 /nfs/dbraw/zinc/19/27/59/442192759.db2.gz WEASJEAEJFYXLY-UONOGXRCSA-N 1 0 333.411 1.993 20 10 EDCDRO Cc1cccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1O ZINC000182251767 442750063 /nfs/dbraw/zinc/75/00/63/442750063.db2.gz AGUIGYNXIUTUQW-OAHLLOKOSA-N 1 0 342.461 1.279 20 10 EDCDRO COCc1noc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000188802540 442817434 /nfs/dbraw/zinc/81/74/34/442817434.db2.gz HEFKVPZEKLIIJN-UHFFFAOYSA-N 1 0 332.404 1.548 20 10 EDCDRO CN1CCC(CNC(=O)Cc2ccc(N)cc2)([NH+]2CCCCC2)CC1 ZINC000262627493 443204618 /nfs/dbraw/zinc/20/46/18/443204618.db2.gz CGBAJMGCWQFZEM-UHFFFAOYSA-N 1 0 344.503 1.878 20 10 EDCDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191254559 443267206 /nfs/dbraw/zinc/26/72/06/443267206.db2.gz YYLJYGJHCXPRLM-GJZGRUSLSA-N 1 0 333.476 1.945 20 10 EDCDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000272440085 443317580 /nfs/dbraw/zinc/31/75/80/443317580.db2.gz MLXIOJPOQLXDCN-MQDFFIGUSA-N 1 0 345.443 1.349 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000270345208 443466785 /nfs/dbraw/zinc/46/67/85/443466785.db2.gz QIJVUSSYDYQLKS-AWEZNQCLSA-N 1 0 335.423 1.873 20 10 EDCDRO Cc1cc(Cl)cc(CN2CCN(C(C)(C)C(N)=O)CC2)c1O ZINC000271897921 443517479 /nfs/dbraw/zinc/51/74/79/443517479.db2.gz YQLYBFWTPFNJHO-UHFFFAOYSA-N 1 0 325.840 1.736 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCC(S(=O)(=O)NC)CC2)c1 ZINC000271177815 443495058 /nfs/dbraw/zinc/49/50/58/443495058.db2.gz LAMAJLWTUYIMCV-UHFFFAOYSA-N 1 0 328.434 1.305 20 10 EDCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273973327 443588888 /nfs/dbraw/zinc/58/88/88/443588888.db2.gz HSEXYMOIGIYNMA-HUUCEWRRSA-N 1 0 349.475 1.888 20 10 EDCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000277112513 443916633 /nfs/dbraw/zinc/91/66/33/443916633.db2.gz MSBWVGLFKCVIOP-CYBMUJFWSA-N 1 0 328.482 1.236 20 10 EDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000289511067 444162381 /nfs/dbraw/zinc/16/23/81/444162381.db2.gz GTOPOFWPSHRTGT-UKRRQHHQSA-N 1 0 326.462 1.898 20 10 EDCDRO CC(=O)c1cc(Cl)cc(CN2CCC(O)(C(N)=O)CC2)c1O ZINC000295329248 444178678 /nfs/dbraw/zinc/17/86/78/444178678.db2.gz MFFROSRNDXIJLQ-UHFFFAOYSA-N 1 0 326.780 1.060 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)cc1 ZINC000297639262 444312015 /nfs/dbraw/zinc/31/20/15/444312015.db2.gz MPHTYEMRIKTAFL-UHFFFAOYSA-N 1 0 342.447 1.467 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NCc3nccn3C)CC2)cc1 ZINC000363089102 445672959 /nfs/dbraw/zinc/67/29/59/445672959.db2.gz XXJKUGFETADPBW-UHFFFAOYSA-N 1 0 343.431 1.851 20 10 EDCDRO CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1O ZINC000363704631 445870565 /nfs/dbraw/zinc/87/05/65/445870565.db2.gz HQYASNGZPPHQRZ-SJLPKXTDSA-N 1 0 333.476 1.839 20 10 EDCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376206581 446380554 /nfs/dbraw/zinc/38/05/54/446380554.db2.gz ZUHWYTSRNDZAKO-VXGBXAGGSA-N 1 0 346.387 1.989 20 10 EDCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000372035056 446983107 /nfs/dbraw/zinc/98/31/07/446983107.db2.gz ANVFRTMIPXXYDA-ZDUSSCGKSA-N 1 0 334.351 1.747 20 10 EDCDRO COc1ccc2c(c1)CCN2C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592516095 448874582 /nfs/dbraw/zinc/87/45/82/448874582.db2.gz GGHBIRRHJQJTIM-CYBMUJFWSA-N 1 0 326.400 1.931 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000273570604 491239971 /nfs/dbraw/zinc/23/99/71/491239971.db2.gz KMNMIDOSYSGVOP-HNNXBMFYSA-N 1 0 349.475 1.857 20 10 EDCDRO CCN(C1CC[NH+](Cc2cccc(OC)c2O)CC1)S(C)(=O)=O ZINC000093320749 527875813 /nfs/dbraw/zinc/87/58/13/527875813.db2.gz RIGFCPNXTJFHKR-UHFFFAOYSA-N 1 0 342.461 1.647 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC000743852777 579492359 /nfs/dbraw/zinc/49/23/59/579492359.db2.gz GRSHLVNIKWXXPG-UHFFFAOYSA-N 1 0 331.460 1.966 20 10 EDCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000760047548 580022099 /nfs/dbraw/zinc/02/20/99/580022099.db2.gz PIUXVDJONDBIHO-PWSUYJOCSA-N 1 0 345.440 1.502 20 10 EDCDRO Cc1nnc(CN2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)n1C ZINC000739855729 579260409 /nfs/dbraw/zinc/26/04/09/579260409.db2.gz UHZXSSSZVUOEAJ-UHFFFAOYSA-N 1 0 341.459 1.636 20 10 EDCDRO CCNC(=O)C[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000747074828 579626538 /nfs/dbraw/zinc/62/65/38/579626538.db2.gz WDIHWUHTMQHTPA-UHFFFAOYSA-N 1 0 330.384 1.900 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000754720132 579910028 /nfs/dbraw/zinc/91/00/28/579910028.db2.gz KROJJIOBXXAKDH-UHFFFAOYSA-N 1 0 342.461 1.565 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000754740514 579910575 /nfs/dbraw/zinc/91/05/75/579910575.db2.gz UNLPQFAFYHFYLO-ZDUSSCGKSA-N 1 0 328.434 1.223 20 10 EDCDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756411386 579949685 /nfs/dbraw/zinc/94/96/85/579949685.db2.gz OYYRSIHBSKXMSU-LSDHHAIUSA-N 1 0 349.475 1.855 20 10 EDCDRO COC[C@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000765403133 580141195 /nfs/dbraw/zinc/14/11/95/580141195.db2.gz RPMNSYJCFGTLBW-IBGZPJMESA-N 1 0 333.476 1.832 20 10 EDCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768446446 580213247 /nfs/dbraw/zinc/21/32/47/580213247.db2.gz KJDLNGIQRSLWRT-PBHICJAKSA-N 1 0 346.427 1.795 20 10 EDCDRO Oc1cc2c(cc1CN1CC[NH+](C3CCOCC3)CC1)[C@H](O)CO2 ZINC000768463495 580213862 /nfs/dbraw/zinc/21/38/62/580213862.db2.gz KAVCNTUDSMBANN-QGZVFWFLSA-N 1 0 334.416 1.115 20 10 EDCDRO CCOc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(O)c1 ZINC000769532748 580239395 /nfs/dbraw/zinc/23/93/95/580239395.db2.gz MJSGIILRFWCMDK-KRWDZBQOSA-N 1 0 347.459 1.529 20 10 EDCDRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000772959738 580324196 /nfs/dbraw/zinc/32/41/96/580324196.db2.gz CVQYVZRRBHIKJJ-CQSZACIVSA-N 1 0 325.478 1.829 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000774857338 580375856 /nfs/dbraw/zinc/37/58/56/580375856.db2.gz ZUHMYJGTWZINDZ-CYBMUJFWSA-N 1 0 332.448 1.140 20 10 EDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000776701411 580426716 /nfs/dbraw/zinc/42/67/16/580426716.db2.gz QYCQSDIRYXBNGK-CYBMUJFWSA-N 1 0 341.411 1.868 20 10 EDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000776701412 580426732 /nfs/dbraw/zinc/42/67/32/580426732.db2.gz QYCQSDIRYXBNGK-ZDUSSCGKSA-N 1 0 341.411 1.868 20 10 EDCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000776811895 580429463 /nfs/dbraw/zinc/42/94/63/580429463.db2.gz CNNFQJDTIZVPTG-RDJZCZTQSA-N 1 0 326.412 1.802 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)C1 ZINC000783650659 580603554 /nfs/dbraw/zinc/60/35/54/580603554.db2.gz LJPLQIIZDIOODH-IAGOWNOFSA-N 1 0 331.460 1.905 20 10 EDCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C[C@@H](C)O2 ZINC000790395076 580768408 /nfs/dbraw/zinc/76/84/08/580768408.db2.gz BHACKXFHDHAONU-CWRJPMGBSA-N 1 0 335.400 1.586 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000794926598 580908350 /nfs/dbraw/zinc/90/83/50/580908350.db2.gz CNEOEYDLLRBDHT-AEFFLSMTSA-N 1 0 330.476 1.347 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NCC(C)(C)[NH3+])CC2)c(OC)c1 ZINC000892033311 590762193 /nfs/dbraw/zinc/76/21/93/590762193.db2.gz DCAZQJFEQBZHCI-UHFFFAOYSA-N 1 0 336.436 1.273 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/[C@@H]3CCOC3)cc2)CC1 ZINC000893607806 591005443 /nfs/dbraw/zinc/00/54/43/591005443.db2.gz LOLWNYXKOWROGC-BBOMDTFKSA-N 1 0 329.444 1.647 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[NH+](C)C)cc1 ZINC000891242405 591013213 /nfs/dbraw/zinc/01/32/13/591013213.db2.gz GBANEDCPQRDXGK-LHIBYTEYSA-N 1 0 343.471 1.895 20 10 EDCDRO COCc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891247181 591016787 /nfs/dbraw/zinc/01/67/87/591016787.db2.gz GRROQDGVUHTUJO-CQSZACIVSA-N 1 0 347.419 1.315 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C=O)c[nH]2)[NH+](C)C)cc1 ZINC000891248397 591017614 /nfs/dbraw/zinc/01/76/14/591017614.db2.gz MCPOAAWWLIHCJF-KRWDZBQOSA-N 1 0 328.416 1.926 20 10 EDCDRO CC[C@]1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCNC1=O ZINC000891248204 591018211 /nfs/dbraw/zinc/01/82/11/591018211.db2.gz WWYDTEZOUKRLET-APWZRJJASA-N 1 0 346.475 1.388 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cnccn2)[NH+](C)C)cc1 ZINC000891255956 591021904 /nfs/dbraw/zinc/02/19/04/591021904.db2.gz UBTJJTIPHHTBFL-HKMNZKMDSA-N 1 0 339.443 1.975 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000892562987 591073343 /nfs/dbraw/zinc/07/33/43/591073343.db2.gz PSOIHUYMMMUPHH-GASCZTMLSA-N 1 0 332.448 1.654 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895769114 591268789 /nfs/dbraw/zinc/26/87/89/591268789.db2.gz MUKAACUQCRNYPS-REMYHPOOSA-N 1 0 329.444 1.651 20 10 EDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000894325376 591279290 /nfs/dbraw/zinc/27/92/90/591279290.db2.gz SEPBYHOJSMXOPX-HNNXBMFYSA-N 1 0 334.416 1.579 20 10 EDCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000895815196 591279718 /nfs/dbraw/zinc/27/97/18/591279718.db2.gz XVHYEYYICXTNTH-SFHVURJKSA-N 1 0 331.460 1.903 20 10 EDCDRO C[C@H](O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899102140 591682372 /nfs/dbraw/zinc/68/23/72/591682372.db2.gz KHJGUXRAMJUWTI-QILLFSRXSA-N 1 0 348.491 1.768 20 10 EDCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000899104551 591684176 /nfs/dbraw/zinc/68/41/76/591684176.db2.gz RKCIVIGGDGWWAW-PBHICJAKSA-N 1 0 334.464 1.786 20 10 EDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1F ZINC000898155557 591805690 /nfs/dbraw/zinc/80/56/90/591805690.db2.gz PFFILZFNFFFLDM-CYBMUJFWSA-N 1 0 331.395 1.756 20 10 EDCDRO COC[C@@]1(C)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900184406 591932523 /nfs/dbraw/zinc/93/25/23/591932523.db2.gz BSWLPCUTUVVTOQ-MAUKXSAKSA-N 1 0 348.447 1.312 20 10 EDCDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000900405592 592009794 /nfs/dbraw/zinc/00/97/94/592009794.db2.gz YVINMWUJKNUTON-MJGOQNOKSA-N 1 0 331.460 1.748 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3cn(C)nn3)cc2F)CC1 ZINC000902797108 592064788 /nfs/dbraw/zinc/06/47/88/592064788.db2.gz YVHLIVOXDIVKTA-AWEZNQCLSA-N 1 0 346.454 1.947 20 10 EDCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCS(=O)(=O)C1 ZINC000903364779 592159644 /nfs/dbraw/zinc/15/96/44/592159644.db2.gz BSLVCEIWHMDIDE-CJNGLKHVSA-N 1 0 327.446 1.863 20 10 EDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)cc1F ZINC000905105550 592408144 /nfs/dbraw/zinc/40/81/44/592408144.db2.gz LSPQQLOLGBAXIR-CRAIPNDOSA-N 1 0 340.439 1.664 20 10 EDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccoc2)[NH+](C)C)cc1 ZINC000908460451 592501136 /nfs/dbraw/zinc/50/11/36/592501136.db2.gz UDPFTJGTMWETOH-INIZCTEOSA-N 1 0 337.445 1.927 20 10 EDCDRO C[C@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)COC(=O)N1 ZINC000905708039 592618620 /nfs/dbraw/zinc/61/86/20/592618620.db2.gz MPJWLMNYXUDCSE-SJKOYZFVSA-N 1 0 334.372 1.831 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]([NH3+])Cc1cc[nH]n1 ZINC000911633368 592970755 /nfs/dbraw/zinc/97/07/55/592970755.db2.gz RFXSHGCEGTZVRX-GOSISDBHSA-N 1 0 341.459 1.928 20 10 EDCDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000814871916 593605684 /nfs/dbraw/zinc/60/56/84/593605684.db2.gz ORZPIESVNKCKKD-NSHDSACASA-N 1 0 338.364 1.692 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000815163883 593618910 /nfs/dbraw/zinc/61/89/10/593618910.db2.gz RWTGYYKLLOINNH-RYRKJORJSA-N 1 0 333.476 1.518 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000817950020 593651395 /nfs/dbraw/zinc/65/13/95/593651395.db2.gz QBZIILBDQNNVKJ-GDBMZVCRSA-N 1 0 347.459 1.717 20 10 EDCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817993561 593654499 /nfs/dbraw/zinc/65/44/99/593654499.db2.gz KPHUSNQIFNWCTM-HNNXBMFYSA-N 1 0 346.475 1.441 20 10 EDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000818341809 593693961 /nfs/dbraw/zinc/69/39/61/593693961.db2.gz GUYDTMLOEXIFKN-HUUCEWRRSA-N 1 0 338.473 1.688 20 10 EDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966564 593730898 /nfs/dbraw/zinc/73/08/98/593730898.db2.gz LFMXLMXTPJSHTH-IIAWOOMASA-N 1 0 340.439 1.926 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CC[C@@H]3C)CC2)cc1 ZINC000819311868 593750120 /nfs/dbraw/zinc/75/01/20/593750120.db2.gz PPOCYWUYMLSBIM-KVSKMBFKSA-N 1 0 333.476 1.566 20 10 EDCDRO O=C1CC[C@@H]([NH+]2CCN(Cc3cc(Cl)ccc3O)CC2)CCN1 ZINC000825148146 594136698 /nfs/dbraw/zinc/13/66/98/594136698.db2.gz QWZKHQXOUUIOCB-OAHLLOKOSA-N 1 0 337.851 1.832 20 10 EDCDRO CC[C@@H](O)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000823161151 594162567 /nfs/dbraw/zinc/16/25/67/594162567.db2.gz AMICNDRJIGGQQZ-OAHLLOKOSA-N 1 0 337.439 1.745 20 10 EDCDRO COC1CCN(c2ccc(C[N@H+](C)CC(C)(CO)CO)cc2)CC1 ZINC000828091646 594339411 /nfs/dbraw/zinc/33/94/11/594339411.db2.gz TXDYYQSSKKXIGX-UHFFFAOYSA-N 1 0 336.476 1.725 20 10 EDCDRO COC(=O)CC[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000828353233 594398817 /nfs/dbraw/zinc/39/88/17/594398817.db2.gz LEKCDDRXSCNHHA-MRXNPFEDSA-N 1 0 349.431 1.061 20 10 EDCDRO O=C(NCCCSc1nccs1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000829527619 594632665 /nfs/dbraw/zinc/63/26/65/594632665.db2.gz BACFQCFWHHKZHB-SNVBAGLBSA-N 1 0 337.474 1.855 20 10 EDCDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000827365416 594665131 /nfs/dbraw/zinc/66/51/31/594665131.db2.gz RSDZUUXHGNNDHL-QGZVFWFLSA-N 1 0 335.423 1.530 20 10 EDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827468930 594675089 /nfs/dbraw/zinc/67/50/89/594675089.db2.gz HEAKMDQJULROBH-QRTARXTBSA-N 1 0 346.475 1.378 20 10 EDCDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469501 594675196 /nfs/dbraw/zinc/67/51/96/594675196.db2.gz ZQYLSENHRMIWKT-HIFRSBDPSA-N 1 0 332.448 1.132 20 10 EDCDRO CC(C)CC(=O)NCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272978 594739459 /nfs/dbraw/zinc/73/94/59/594739459.db2.gz KVMBISNSKVRRAB-MRXNPFEDSA-N 1 0 334.464 1.421 20 10 EDCDRO COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832274825 594739585 /nfs/dbraw/zinc/73/95/85/594739585.db2.gz ZFNRFAPJPMLULL-ZMSDIMECSA-N 1 0 347.459 1.848 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CNC(=O)C2CCCCC2)cc1 ZINC000832293433 594740725 /nfs/dbraw/zinc/74/07/25/594740725.db2.gz WSMGAUOLRSZSSO-KRWDZBQOSA-N 1 0 346.475 1.565 20 10 EDCDRO COC[C@]1(CO)CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000832395973 594747288 /nfs/dbraw/zinc/74/72/88/594747288.db2.gz XQKQZMWYGITVEK-LJQANCHMSA-N 1 0 349.475 1.042 20 10 EDCDRO C[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(N(C)C)cc1 ZINC000840895959 594824571 /nfs/dbraw/zinc/82/45/71/594824571.db2.gz BWXISGINHJEFCU-ZDUSSCGKSA-N 1 0 330.436 1.574 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841707495 594940934 /nfs/dbraw/zinc/94/09/34/594940934.db2.gz UVNLBJPFRCDMQZ-ZSHCYNCHSA-N 1 0 332.473 1.257 20 10 EDCDRO C[C@@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000841739808 594945733 /nfs/dbraw/zinc/94/57/33/594945733.db2.gz CNOVSCNVLFRVFL-BEFAXECRSA-N 1 0 346.475 1.965 20 10 EDCDRO C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000841741756 594946226 /nfs/dbraw/zinc/94/62/26/594946226.db2.gz QMOXGPWHSVBUES-KYJSFNMBSA-N 1 0 344.459 1.588 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000841778747 594950444 /nfs/dbraw/zinc/95/04/44/594950444.db2.gz FXGPCJNYAGPAFE-CQSZACIVSA-N 1 0 334.464 1.961 20 10 EDCDRO C[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844350 594962884 /nfs/dbraw/zinc/96/28/84/594962884.db2.gz XXMSBVGJGYKPER-NEPJUHHUSA-N 1 0 342.390 1.903 20 10 EDCDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915655 594981203 /nfs/dbraw/zinc/98/12/03/594981203.db2.gz SPNPKSPMVQSAOG-QWRGUYRKSA-N 1 0 342.390 1.336 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000841964936 594990995 /nfs/dbraw/zinc/99/09/95/594990995.db2.gz CFVQKTUNCAGVJD-KRWDZBQOSA-N 1 0 332.448 1.402 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000842071024 595013121 /nfs/dbraw/zinc/01/31/21/595013121.db2.gz WATYFQJVZYSKDY-RHSMWYFYSA-N 1 0 348.491 1.208 20 10 EDCDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000842091494 595015982 /nfs/dbraw/zinc/01/59/82/595015982.db2.gz DKWKAFUDBWDMQH-GHMZBOCLSA-N 1 0 342.490 1.128 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842201777 595036517 /nfs/dbraw/zinc/03/65/17/595036517.db2.gz BZKYJOXPRKIRJU-DVOMOZLQSA-N 1 0 332.448 1.044 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000842202753 595037247 /nfs/dbraw/zinc/03/72/47/595037247.db2.gz LDFMDYNPIYRRMT-AUUYWEPGSA-N 1 0 344.459 1.142 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000842206736 595038827 /nfs/dbraw/zinc/03/88/27/595038827.db2.gz KDJSSLBOFOSRLI-MRXNPFEDSA-N 1 0 346.475 1.346 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000842207184 595039040 /nfs/dbraw/zinc/03/90/40/595039040.db2.gz MOLIUONSZCJDJG-ZBFHGGJFSA-N 1 0 346.475 1.345 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000842215310 595041732 /nfs/dbraw/zinc/04/17/32/595041732.db2.gz RHSOMFPCVCWEMV-INIZCTEOSA-N 1 0 344.459 1.017 20 10 EDCDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842224810 595044538 /nfs/dbraw/zinc/04/45/38/595044538.db2.gz CQGCXMCOBVCEDL-HNNXBMFYSA-N 1 0 345.443 1.532 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842227296 595044957 /nfs/dbraw/zinc/04/49/57/595044957.db2.gz ODQMCELFUORQEX-OAHLLOKOSA-N 1 0 333.432 1.389 20 10 EDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000843263900 595057553 /nfs/dbraw/zinc/05/75/53/595057553.db2.gz MOGSHHMGZMWLMI-ZIAGYGMSSA-N 1 0 346.475 1.486 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000842264912 595059910 /nfs/dbraw/zinc/05/99/10/595059910.db2.gz FMMJPORTWZGIDJ-GOEBONIOSA-N 1 0 347.459 1.635 20 10 EDCDRO Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000843297381 595066276 /nfs/dbraw/zinc/06/62/76/595066276.db2.gz IVXUEVKQOXXSKT-KRWDZBQOSA-N 1 0 340.427 1.816 20 10 EDCDRO Cc1cc(C(=O)CN(CC[NH3+])CCO)c(C)n1-c1ccc(C)cc1 ZINC000843367392 595089750 /nfs/dbraw/zinc/08/97/50/595089750.db2.gz GHELAMYOILTWHX-UHFFFAOYSA-N 1 0 329.444 1.838 20 10 EDCDRO COc1cc(O)c(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1OC ZINC000843428664 595108511 /nfs/dbraw/zinc/10/85/11/595108511.db2.gz LOZTUALTKIUAHD-QGZVFWFLSA-N 1 0 325.405 1.677 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CO[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843485452 595125890 /nfs/dbraw/zinc/12/58/90/595125890.db2.gz LNGQQYSNYLBKHM-KRWDZBQOSA-N 1 0 333.432 1.112 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1O ZINC000846142832 595155680 /nfs/dbraw/zinc/15/56/80/595155680.db2.gz WLKCBBDZTKCHPD-LBPRGKRZSA-N 1 0 342.461 1.723 20 10 EDCDRO O=S(=O)(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834541583 595158434 /nfs/dbraw/zinc/15/84/34/595158434.db2.gz ZREXXSIDAOWEKQ-OAHLLOKOSA-N 1 0 332.425 1.948 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000846174356 595164797 /nfs/dbraw/zinc/16/47/97/595164797.db2.gz WWYWTJYYOQYNNN-OAHLLOKOSA-N 1 0 334.464 1.915 20 10 EDCDRO C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784098 595197655 /nfs/dbraw/zinc/19/76/55/595197655.db2.gz GMAWUZJVTKZWQX-CZUORRHYSA-N 1 0 340.493 1.461 20 10 EDCDRO C[C@@H]1C[C@@H](S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000842785492 595198199 /nfs/dbraw/zinc/19/81/99/595198199.db2.gz NXFKSOULLOYZHS-UHOFOFEASA-N 1 0 341.477 1.239 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000846348655 595213915 /nfs/dbraw/zinc/21/39/15/595213915.db2.gz KTYHMFLBUDXWJM-UHFFFAOYSA-N 1 0 346.475 1.298 20 10 EDCDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000834889269 595237300 /nfs/dbraw/zinc/23/73/00/595237300.db2.gz HDKGVVUSVXASGW-UKRRQHHQSA-N 1 0 335.423 1.934 20 10 EDCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000835026408 595247457 /nfs/dbraw/zinc/24/74/57/595247457.db2.gz TUBCSVWIBGUFHW-PXPVJAHISA-N 1 0 333.476 1.391 20 10 EDCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C(=O)[O-] ZINC000843041612 595271626 /nfs/dbraw/zinc/27/16/26/595271626.db2.gz UICQBYSTYSKPTL-YJBOKZPZSA-N 1 0 331.460 1.981 20 10 EDCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000843065377 595278529 /nfs/dbraw/zinc/27/85/29/595278529.db2.gz LLBPUYCYXYCDOA-IBGZPJMESA-N 1 0 344.503 1.929 20 10 EDCDRO Cc1cc(Br)cc(CN2CCN(C)C[C@H]2C[NH3+])c1O ZINC000843122229 595292478 /nfs/dbraw/zinc/29/24/78/595292478.db2.gz PKAAHWDSPKFIEQ-CYBMUJFWSA-N 1 0 328.254 1.538 20 10 EDCDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000847296235 595389486 /nfs/dbraw/zinc/38/94/86/595389486.db2.gz YVHBQRJAGJEUHZ-MAEOIBBWSA-N 1 0 346.475 1.663 20 10 EDCDRO CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792014 595544796 /nfs/dbraw/zinc/54/47/96/595544796.db2.gz OXEMRKCKDLVFJR-QZTJIDSGSA-N 1 0 348.491 1.810 20 10 EDCDRO Nc1ccc(Cc2nc(C(=O)N3CC4CC3(C[NH3+])C4)cs2)cc1 ZINC000852858727 595580156 /nfs/dbraw/zinc/58/01/56/595580156.db2.gz GQHGCNCOYOEGMK-UHFFFAOYSA-N 1 0 328.441 1.879 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000852868294 595587531 /nfs/dbraw/zinc/58/75/31/595587531.db2.gz CWHVYYVZJBOLOI-RTBURBONSA-N 1 0 343.471 1.795 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000852916378 595613417 /nfs/dbraw/zinc/61/34/17/595613417.db2.gz HDMMJKDRWMIROY-UHFFFAOYSA-N 1 0 343.471 1.939 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000850754204 595622776 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COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000851663776 595874245 /nfs/dbraw/zinc/87/42/45/595874245.db2.gz IPFAHHOTUMGCSN-LSDHHAIUSA-N 1 0 332.448 1.715 20 10 EDCDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc(O)c1O ZINC000856410911 595981181 /nfs/dbraw/zinc/98/11/81/595981181.db2.gz PNFBRUYHQBCWNB-CYBMUJFWSA-N 1 0 334.416 1.813 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000861640360 596054115 /nfs/dbraw/zinc/05/41/15/596054115.db2.gz KIURWDDTDGPDGU-GXTWGEPZSA-N 1 0 344.381 1.980 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000852187135 596077444 /nfs/dbraw/zinc/07/74/44/596077444.db2.gz LFAUZIFXYKOCLA-GOEBONIOSA-N 1 0 332.448 1.667 20 10 EDCDRO O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000857224061 596190355 /nfs/dbraw/zinc/19/03/55/596190355.db2.gz ZOCHSSWCEILQJZ-GFCCVEGCSA-N 1 0 338.379 1.564 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H]3COC[C@]3(C)C1)cc2=O ZINC000852534405 596192263 /nfs/dbraw/zinc/19/22/63/596192263.db2.gz LVKSRASHFJAXJA-GTNSWQLSSA-N 1 0 346.387 1.080 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000862463946 596333511 /nfs/dbraw/zinc/33/35/11/596333511.db2.gz PEYJJHUMRMYWSD-LJQANCHMSA-N 1 0 334.460 1.660 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(=O)[nH]c3)CC2)cc1 ZINC000865433262 596573054 /nfs/dbraw/zinc/57/30/54/596573054.db2.gz LAYCMDKNTKFKQP-UHFFFAOYSA-N 1 0 342.443 1.708 20 10 EDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000863968186 596736693 /nfs/dbraw/zinc/73/66/93/596736693.db2.gz FKRFWXHPMFURPI-PMACEKPBSA-N 1 0 348.487 1.867 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000868420404 596831148 /nfs/dbraw/zinc/83/11/48/596831148.db2.gz VXOYSRZGAXOIAP-SJORKVTESA-N 1 0 344.459 1.064 20 10 EDCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)CC3(O)CCOCC3)ccc21 ZINC000872198932 596831501 /nfs/dbraw/zinc/83/15/01/596831501.db2.gz CXAFGSIMRJEFDU-QGZVFWFLSA-N 1 0 334.460 1.451 20 10 EDCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000866457323 596889697 /nfs/dbraw/zinc/88/96/97/596889697.db2.gz MIURZMJXJIMGND-GFCCVEGCSA-N 1 0 326.462 1.861 20 10 EDCDRO COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000874043677 596906152 /nfs/dbraw/zinc/90/61/52/596906152.db2.gz WLQPIMDQNVYDHX-LJQANCHMSA-N 1 0 347.459 1.362 20 10 EDCDRO O=C1CC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCN1 ZINC000873130549 597206631 /nfs/dbraw/zinc/20/66/31/597206631.db2.gz HPOWINHDFIPPGF-CYBMUJFWSA-N 1 0 339.386 1.560 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC=CC3)CC2)cc1 ZINC000875020106 597247121 /nfs/dbraw/zinc/24/71/21/597247121.db2.gz HKSTXFIJUJRYMP-UHFFFAOYSA-N 1 0 344.459 1.789 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CC2)cc1 ZINC000876733255 597312326 /nfs/dbraw/zinc/31/23/26/597312326.db2.gz SVYQSNVFNKKYEO-GJZGRUSLSA-N 1 0 339.386 1.574 20 10 EDCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000876742843 597317372 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EDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877608564 597541327 /nfs/dbraw/zinc/54/13/27/597541327.db2.gz UGVXWBYPMXHRBR-YJBOKZPZSA-N 1 0 348.443 1.004 20 10 EDCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000877621637 597542226 /nfs/dbraw/zinc/54/22/26/597542226.db2.gz YUVSXIJFCOSDRQ-LPHOPBHVSA-N 1 0 334.460 1.789 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877764747 597553535 /nfs/dbraw/zinc/55/35/35/597553535.db2.gz NUNKOYAHSFZRKG-PHIMTYICSA-N 1 0 346.221 1.196 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CC1 ZINC000877875775 597561558 /nfs/dbraw/zinc/56/15/58/597561558.db2.gz ZVABMZRGKUXCPB-LJQANCHMSA-N 1 0 342.443 1.659 20 10 EDCDRO CCOC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000879651777 597674507 /nfs/dbraw/zinc/67/45/07/597674507.db2.gz KMEWDXZQCJVNHN-ZDUSSCGKSA-N 1 0 349.431 1.780 20 10 EDCDRO CNC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879651390 597674723 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CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880132928 597850366 /nfs/dbraw/zinc/85/03/66/597850366.db2.gz RCXLMWQNCRXBTL-RBUKOAKNSA-N 1 0 344.503 1.880 20 10 EDCDRO CCn1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC000882880092 598093964 /nfs/dbraw/zinc/09/39/64/598093964.db2.gz BHHXGLNFJMYZDM-UHFFFAOYSA-N 1 0 327.432 1.627 20 10 EDCDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCO)CC2)ccc1N1CCCCC1 ZINC000915223772 695765927 /nfs/dbraw/zinc/76/59/27/695765927.db2.gz GPFOVLDQSNHOFW-UHFFFAOYSA-N 1 0 348.447 1.695 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000325487625 703502592 /nfs/dbraw/zinc/50/25/92/703502592.db2.gz ZCAAZVIIRGYRSN-UHFFFAOYSA-N 1 0 332.492 1.785 20 10 EDCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC(=O)N3)C2)cc1C ZINC000999720360 707259648 /nfs/dbraw/zinc/25/96/48/707259648.db2.gz KISFKNFFMLOGBW-GPANFISMSA-N 1 0 345.443 1.361 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)cc1C ZINC000999893296 707487334 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CCC[N@@H+]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000114462821 441659401 /nfs/dbraw/zinc/65/94/01/441659401.db2.gz IOZWXOXAGRAAGN-UHFFFAOYSA-N 1 0 332.492 1.787 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152386758 442206026 /nfs/dbraw/zinc/20/60/26/442206026.db2.gz WOYVQFUFLCMTPM-GOSISDBHSA-N 1 0 346.519 1.985 20 10 EDCDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000165416653 442209613 /nfs/dbraw/zinc/20/96/13/442209613.db2.gz XKYRCDSFBOFKER-CABCVRRESA-N 1 0 349.450 1.921 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OC ZINC000186595137 442568980 /nfs/dbraw/zinc/56/89/80/442568980.db2.gz AMZVFKCMAPKLTB-AWEZNQCLSA-N 1 0 337.464 1.525 20 10 EDCDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(O)c1O ZINC000189911201 443027938 /nfs/dbraw/zinc/02/79/38/443027938.db2.gz IZSWWIPDZRJOLX-CABCVRRESA-N 1 0 334.416 1.596 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cnccn3)CC2)cc1 ZINC000268853193 443127220 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[NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCNCc4ccccc43)c21 ZINC000592468034 448850455 /nfs/dbraw/zinc/85/04/55/448850455.db2.gz PLCFHFHQHIKZKS-CYBMUJFWSA-N 1 0 325.416 1.469 20 10 EDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2COC2)C1 ZINC000634258442 451254250 /nfs/dbraw/zinc/25/42/50/451254250.db2.gz MDVDXUUXUOWFGQ-UHFFFAOYSA-N 1 0 327.428 1.923 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000296140119 490998000 /nfs/dbraw/zinc/99/80/00/490998000.db2.gz RWBCSWIIUWQVRV-KRWDZBQOSA-N 1 0 333.476 1.852 20 10 EDCDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000299345811 524623605 /nfs/dbraw/zinc/62/36/05/524623605.db2.gz PARRXLCKAKZIQR-DNVCBOLYSA-N 1 0 333.476 1.852 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3csnn3)cc2F)CC1 ZINC000106829848 529153249 /nfs/dbraw/zinc/15/32/49/529153249.db2.gz ZZWNSJLQOKYCOJ-UHFFFAOYSA-N 1 0 349.435 1.749 20 10 EDCDRO C[C@@]1(c2ccc(C[NH2+]Cc3ccccc3O)cc2)NC(=O)NC1=O ZINC000726189584 578336106 /nfs/dbraw/zinc/33/61/06/578336106.db2.gz DKQBBALJRBQAOZ-SFHVURJKSA-N 1 0 325.368 1.737 20 10 EDCDRO COc1ccc(N2CCC(NC(=S)NCC[NH+](C)C)CC2)cc1 ZINC000726493386 578346441 /nfs/dbraw/zinc/34/64/41/578346441.db2.gz LDJLZQWUECBTPQ-UHFFFAOYSA-N 1 0 336.505 1.690 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1 ZINC000729928899 578603897 /nfs/dbraw/zinc/60/38/97/578603897.db2.gz OSJPCJUHEGSIME-GOSISDBHSA-N 1 0 341.459 1.730 20 10 EDCDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000760547747 580033342 /nfs/dbraw/zinc/03/33/42/580033342.db2.gz AZPDRHXNCTXZDR-CQSZACIVSA-N 1 0 326.400 1.976 20 10 EDCDRO CCn1cnnc1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000735926345 578941593 /nfs/dbraw/zinc/94/15/93/578941593.db2.gz MRZYIOHPAUQTRY-UHFFFAOYSA-N 1 0 333.411 1.606 20 10 EDCDRO Cc1cc(O)c(C[NH+]2CCN(c3nccn(C)c3=O)CC2)cc1C ZINC000744441882 579510949 /nfs/dbraw/zinc/51/09/49/579510949.db2.gz YSLVHHAYRHCOOM-UHFFFAOYSA-N 1 0 328.416 1.425 20 10 EDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000754728199 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C[C@H](O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899102137 591682625 /nfs/dbraw/zinc/68/26/25/591682625.db2.gz KHJGUXRAMJUWTI-LESCRADOSA-N 1 0 348.491 1.768 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2(CO)CCC2)[NH+](C)C)cc1 ZINC000899103633 591683255 /nfs/dbraw/zinc/68/32/55/591683255.db2.gz NQVDCYIYTCGHPZ-MRXNPFEDSA-N 1 0 334.464 1.570 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@]2(C)CO)[NH+](C)C)cc1 ZINC000899103562 591683685 /nfs/dbraw/zinc/68/36/85/591683685.db2.gz MWUVTNIOMXITKJ-HKUYNNGSSA-N 1 0 348.491 1.912 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](O)C2(C)C)[NH+](C)C)cc1 ZINC000899103943 591684459 /nfs/dbraw/zinc/68/44/59/591684459.db2.gz PRODCDRWBOSURM-DLBZAZTESA-N 1 0 348.491 1.910 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)cc2)CC1 ZINC000899211753 591733547 /nfs/dbraw/zinc/73/35/47/591733547.db2.gz NKHHJMQEHSXEJB-IAGOWNOFSA-N 1 0 339.443 1.581 20 10 EDCDRO C[NH+]1CCN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899991478 591860699 /nfs/dbraw/zinc/86/06/99/591860699.db2.gz OIBCVMWJGZGZAC-UHFFFAOYSA-N 1 0 349.456 1.680 20 10 EDCDRO COCC[C@@H]1C[NH2+]CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000900441538 592019860 /nfs/dbraw/zinc/01/98/60/592019860.db2.gz VEOUABPFUXCGEN-KXQLTZBTSA-N 1 0 349.387 1.596 20 10 EDCDRO COC[C@H]1C[NH2+]CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000900450294 592021155 /nfs/dbraw/zinc/02/11/55/592021155.db2.gz LTRRCOIWWQVVIN-DIECRNLCSA-N 1 0 335.360 1.206 20 10 EDCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)cc2)CC1 ZINC000903075635 592115861 /nfs/dbraw/zinc/11/58/61/592115861.db2.gz AUCBLSOBJGVSEP-WOJBJXKFSA-N 1 0 346.471 1.933 20 10 EDCDRO c1cc(N2CCOCC2)ccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974252 592397904 /nfs/dbraw/zinc/39/79/04/592397904.db2.gz NGGCSKCPFHMHCF-SFHVURJKSA-N 1 0 345.487 1.772 20 10 EDCDRO O=C(NCc1ccc(O)cc1O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000910946717 592905504 /nfs/dbraw/zinc/90/55/04/592905504.db2.gz RYVWJYLYMCZGKP-AWEZNQCLSA-N 1 0 336.457 1.932 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000911556351 592944973 /nfs/dbraw/zinc/94/49/73/592944973.db2.gz JKNICIZWUQDWPC-SHTZXODSSA-N 1 0 344.459 1.097 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000911227020 592969312 /nfs/dbraw/zinc/96/93/12/592969312.db2.gz RPQLELLFZNAQQM-JLJPHGGASA-N 1 0 344.459 1.140 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[NH2+]CCN1C ZINC000911632409 592970137 /nfs/dbraw/zinc/97/01/37/592970137.db2.gz HBJGUINTRPIPPV-GOSISDBHSA-N 1 0 330.476 1.539 20 10 EDCDRO C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000807675530 593189885 /nfs/dbraw/zinc/18/98/85/593189885.db2.gz AVJCRXOXVAOYOV-HNNXBMFYSA-N 1 0 346.475 1.484 20 10 EDCDRO CCC[N@H+](CC)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807776584 593198973 /nfs/dbraw/zinc/19/89/73/593198973.db2.gz DUBQAPRAFSLKHG-UHFFFAOYSA-N 1 0 348.491 1.525 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1O ZINC000802654969 593268560 /nfs/dbraw/zinc/26/85/60/593268560.db2.gz QGLWPMLVVLMWJY-UHFFFAOYSA-N 1 0 334.825 1.224 20 10 EDCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(CO)C2)c1O ZINC000839160999 593273908 /nfs/dbraw/zinc/27/39/08/593273908.db2.gz YJZFTMYVASNCAH-CQSZACIVSA-N 1 0 346.221 1.483 20 10 EDCDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000803204852 593309110 /nfs/dbraw/zinc/30/91/10/593309110.db2.gz YMZDNKAJHVEKQQ-KBPBESRZSA-N 1 0 334.464 1.386 20 10 EDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888266 593645235 /nfs/dbraw/zinc/64/52/35/593645235.db2.gz CHNBPEFIWAZDTI-HFTRVMKXSA-N 1 0 330.476 1.476 20 10 EDCDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000817903240 593647249 /nfs/dbraw/zinc/64/72/49/593647249.db2.gz LCBMEYBFYNPMTO-MSOLQXFVSA-N 1 0 347.459 1.547 20 10 EDCDRO O=C(C(=O)N1CC[NH2+]CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000817916130 593648055 /nfs/dbraw/zinc/64/80/55/593648055.db2.gz VKFHDRXEFUNVJL-UHFFFAOYSA-N 1 0 345.443 1.485 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000817930905 593649695 /nfs/dbraw/zinc/64/96/95/593649695.db2.gz PLODYJIBDHLSRK-HNNXBMFYSA-N 1 0 332.448 1.049 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000817950005 593651355 /nfs/dbraw/zinc/65/13/55/593651355.db2.gz PSWJRJKYQMRJKW-KBPBESRZSA-N 1 0 333.432 1.340 20 10 EDCDRO COCCN1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000818220621 593685074 /nfs/dbraw/zinc/68/50/74/593685074.db2.gz HQZMNAQWPCEADP-IAGOWNOFSA-N 1 0 333.476 1.832 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000818655923 593710570 /nfs/dbraw/zinc/71/05/70/593710570.db2.gz QBIMRYDTEUIHJL-IIDMSEBBSA-N 1 0 346.475 1.819 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000840481634 593830977 /nfs/dbraw/zinc/83/09/77/593830977.db2.gz KVASDRVZVADVIF-HNAYVOBHSA-N 1 0 348.491 1.358 20 10 EDCDRO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccccc2O)CC1 ZINC000824608728 594047002 /nfs/dbraw/zinc/04/70/02/594047002.db2.gz ODFNKRYPPSMZRV-QFIPXVFZSA-N 1 0 325.430 1.668 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000825727702 594232358 /nfs/dbraw/zinc/23/23/58/594232358.db2.gz IGTSQVVTHFJVJT-RBUKOAKNSA-N 1 0 343.471 1.980 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CC(=O)OC)cc1F ZINC000829039186 594554835 /nfs/dbraw/zinc/55/48/35/594554835.db2.gz WGXKJACUDGAIHO-ZDUSSCGKSA-N 1 0 325.384 1.179 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3COCC3(C)C)CC2)cc1 ZINC000832165522 594731557 /nfs/dbraw/zinc/73/15/57/594731557.db2.gz ZGILFMFCSDCTIA-QGZVFWFLSA-N 1 0 347.459 1.358 20 10 EDCDRO Cc1nn2cccnc2c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282462 594740048 /nfs/dbraw/zinc/74/00/48/594740048.db2.gz ZQJJBYHUNJPCNQ-HNNXBMFYSA-N 1 0 338.415 1.534 20 10 EDCDRO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(N2CCCCC2)cc1 ZINC000840807581 594817252 /nfs/dbraw/zinc/81/72/52/594817252.db2.gz SHIFQZMGIMZRNJ-YJBOKZPZSA-N 1 0 329.448 1.980 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000840948087 594831344 /nfs/dbraw/zinc/83/13/44/594831344.db2.gz MEEGMBZKGHHKDV-UHFFFAOYSA-N 1 0 339.505 1.822 20 10 EDCDRO C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000841741271 594946165 /nfs/dbraw/zinc/94/61/65/594946165.db2.gz MXILIOIENQAGHP-HNNXBMFYSA-N 1 0 346.475 1.978 20 10 EDCDRO C[C@H](NC(=O)N1CCC(C[NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000841742646 594946676 /nfs/dbraw/zinc/94/66/76/594946676.db2.gz YVOSQXQWQIBGCF-HNNXBMFYSA-N 1 0 346.475 1.965 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000841778433 594950574 /nfs/dbraw/zinc/95/05/74/594950574.db2.gz BBFPUXMKPDHCQH-KSSFIOAISA-N 1 0 346.475 1.961 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000841823449 594958396 /nfs/dbraw/zinc/95/83/96/594958396.db2.gz BCJLGOKICYGKIW-GOSISDBHSA-N 1 0 345.491 1.250 20 10 EDCDRO O=C(N[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841943325 594986692 /nfs/dbraw/zinc/98/66/92/594986692.db2.gz KJUHXLHZULGCHN-HZPDHXFCSA-N 1 0 333.432 1.835 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000842069925 595012989 /nfs/dbraw/zinc/01/29/89/595012989.db2.gz HQFFUBDORLZGPH-CQSZACIVSA-N 1 0 346.475 1.106 20 10 EDCDRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000842150105 595023666 /nfs/dbraw/zinc/02/36/66/595023666.db2.gz MTWJTHKLQIILCW-CQSZACIVSA-N 1 0 346.475 1.535 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000842203091 595036826 /nfs/dbraw/zinc/03/68/26/595036826.db2.gz OMKPBVYROWBFQC-NFAWXSAZSA-N 1 0 332.448 1.187 20 10 EDCDRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000842203844 595037458 /nfs/dbraw/zinc/03/74/58/595037458.db2.gz XUSCDLOOEVZAMO-JJRVBVJISA-N 1 0 346.475 1.516 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000842208120 595039242 /nfs/dbraw/zinc/03/92/42/595039242.db2.gz RJFXZLYTXBONRE-MRXNPFEDSA-N 1 0 346.475 1.265 20 10 EDCDRO Nc1ccc(CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000842213113 595041425 /nfs/dbraw/zinc/04/14/25/595041425.db2.gz HHXZBLFDKHMDET-QGZVFWFLSA-N 1 0 344.459 1.061 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000842227068 595044908 /nfs/dbraw/zinc/04/49/08/595044908.db2.gz XNCZOFPCNUHECI-QGZVFWFLSA-N 1 0 346.475 1.345 20 10 EDCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842242295 595051642 /nfs/dbraw/zinc/05/16/42/595051642.db2.gz PTTWJHWVPMJEMN-MRXNPFEDSA-N 1 0 346.475 1.022 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NCC(C)(C)[NH3+])C2CC2)cc1 ZINC000842256431 595057436 /nfs/dbraw/zinc/05/74/36/595057436.db2.gz CXFAGXCBLSNSTO-UHFFFAOYSA-N 1 0 332.448 1.097 20 10 EDCDRO C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000842259733 595057840 /nfs/dbraw/zinc/05/78/40/595057840.db2.gz PHEJYIOULNXFAC-AWEZNQCLSA-N 1 0 332.448 1.099 20 10 EDCDRO CC[C@@H](C)[C@@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)C(=O)OC ZINC000843350392 595082755 /nfs/dbraw/zinc/08/27/55/595082755.db2.gz OEVJQUJPWVTUFN-FZKQIMNGSA-N 1 0 347.459 1.602 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000834383516 595107211 /nfs/dbraw/zinc/10/72/11/595107211.db2.gz UJXIZSOZTHGFFL-UYAOXDASSA-N 1 0 345.487 1.662 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3(OC)CC[NH2+]CC3)C2)cc1 ZINC000843505318 595135193 /nfs/dbraw/zinc/13/51/93/595135193.db2.gz JNQUOQCEAZJAMA-HNNXBMFYSA-N 1 0 347.459 1.406 20 10 EDCDRO CCO[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C[NH3+] ZINC000846145153 595156534 /nfs/dbraw/zinc/15/65/34/595156534.db2.gz OXSSGKCCUZHRNN-SJLPKXTDSA-N 1 0 346.475 1.574 20 10 EDCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)CC2 ZINC000846153814 595159295 /nfs/dbraw/zinc/15/92/95/595159295.db2.gz KYPZBIFFMGCKOM-NWDGAFQWSA-N 1 0 332.404 1.804 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CO[C@@H](C)C3)CC2)cc1 ZINC000842659916 595162575 /nfs/dbraw/zinc/16/25/75/595162575.db2.gz FGEYQHYQXLMKET-IRXDYDNUSA-N 1 0 333.476 1.974 20 10 EDCDRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000842673338 595166445 /nfs/dbraw/zinc/16/64/45/595166445.db2.gz JPHFPWGDYFFAMS-UHFFFAOYSA-N 1 0 336.388 1.698 20 10 EDCDRO CC[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000837706990 595173670 /nfs/dbraw/zinc/17/36/70/595173670.db2.gz ITNNQCXOJZWJOK-OAHLLOKOSA-N 1 0 341.402 1.758 20 10 EDCDRO C[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000846226969 595179647 /nfs/dbraw/zinc/17/96/47/595179647.db2.gz WZAABOQYPIIOKX-CRAIPNDOSA-N 1 0 332.492 1.818 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2cnc3ccccc32)cc1 ZINC000844162463 595287871 /nfs/dbraw/zinc/28/78/71/595287871.db2.gz DAAMVRXSEZFCPD-MRXNPFEDSA-N 1 0 337.427 1.919 20 10 EDCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@H]2c2nccn2C)c1O ZINC000843121660 595291690 /nfs/dbraw/zinc/29/16/90/595291690.db2.gz GIBXVIYXCQJSBD-ZDUSSCGKSA-N 1 0 336.823 1.934 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000844224874 595308501 /nfs/dbraw/zinc/30/85/01/595308501.db2.gz KCUSQLDPYKYTPB-LJQANCHMSA-N 1 0 330.476 1.444 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCc3nccn3C2)cc1 ZINC000848393301 595372687 /nfs/dbraw/zinc/37/26/87/595372687.db2.gz YAJXVXBESSYTJL-HOCLYGCPSA-N 1 0 327.432 1.328 20 10 EDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC000848566759 595406257 /nfs/dbraw/zinc/40/62/57/595406257.db2.gz HWNPWTNHDQQLSV-LLVKDONJSA-N 1 0 337.221 1.930 20 10 EDCDRO CCc1cccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000848898392 595464899 /nfs/dbraw/zinc/46/48/99/595464899.db2.gz UUPZUYSMHRIAOA-RDTXWAMCSA-N 1 0 331.416 1.765 20 10 EDCDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000849562764 595570117 /nfs/dbraw/zinc/57/01/17/595570117.db2.gz HAGGHNOAXPGMOO-LSDHHAIUSA-N 1 0 344.415 1.183 20 10 EDCDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852860613 595581841 /nfs/dbraw/zinc/58/18/41/595581841.db2.gz SWLURZYRLQAZIS-INIZCTEOSA-N 1 0 335.423 1.667 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000852868291 595587517 /nfs/dbraw/zinc/58/75/17/595587517.db2.gz CWHVYYVZJBOLOI-MOPGFXCFSA-N 1 0 343.471 1.795 20 10 EDCDRO [NH3+]Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)co1 ZINC000852868757 595588620 /nfs/dbraw/zinc/58/86/20/595588620.db2.gz MJJXKPSWPLDYID-UHFFFAOYSA-N 1 0 329.400 1.629 20 10 EDCDRO [NH3+]C[C@@H]1CC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)=NO1 ZINC000852882502 595596641 /nfs/dbraw/zinc/59/66/41/595596641.db2.gz JBEUDFKPJZBIRA-KGLIPLIRSA-N 1 0 333.388 1.003 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000852916735 595613398 /nfs/dbraw/zinc/61/33/98/595613398.db2.gz DSRKUDYFSXFSED-UHFFFAOYSA-N 1 0 334.464 1.298 20 10 EDCDRO CCN(CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F)S(C)(=O)=O ZINC000858104534 595700481 /nfs/dbraw/zinc/70/04/81/595700481.db2.gz ODBRMGQBYGMHOZ-UHFFFAOYSA-N 1 0 349.447 1.792 20 10 EDCDRO C[C@H]1COCCN1CC[NH2+]Cc1c(O)cccc1Br ZINC000858125364 595705997 /nfs/dbraw/zinc/70/59/97/595705997.db2.gz BIAWGAAZFYDZAM-NSHDSACASA-N 1 0 329.238 1.965 20 10 EDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCN2CCCO)cc1F ZINC000858170461 595719490 /nfs/dbraw/zinc/71/94/90/595719490.db2.gz KUNRVVMFZWPVTK-AWEZNQCLSA-N 1 0 327.419 1.967 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858426149 595791494 /nfs/dbraw/zinc/79/14/94/595791494.db2.gz OHVYXZWFMVLOBN-UHFFFAOYSA-N 1 0 334.464 1.526 20 10 EDCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000850342908 595813411 /nfs/dbraw/zinc/81/34/11/595813411.db2.gz OKPKVEFUAMXDOB-CRAIPNDOSA-N 1 0 338.423 1.803 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C2)cc1 ZINC000851641508 595865673 /nfs/dbraw/zinc/86/56/73/595865673.db2.gz NZLNUDBKSBFIPG-YOEHRIQHSA-N 1 0 335.448 1.390 20 10 EDCDRO CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CC[NH2+]CC1 ZINC000851682974 595883569 /nfs/dbraw/zinc/88/35/69/595883569.db2.gz YVMRDXSFYWSGKZ-UHFFFAOYSA-N 1 0 346.475 1.541 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C 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20 10 EDCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862475459 596334191 /nfs/dbraw/zinc/33/41/91/596334191.db2.gz LKQLXBYUMRHGAS-HNNXBMFYSA-N 1 0 340.332 1.073 20 10 EDCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000862475705 596334854 /nfs/dbraw/zinc/33/48/54/596334854.db2.gz UQOWFSOXWRHYQU-CQSZACIVSA-N 1 0 344.205 1.919 20 10 EDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000862536603 596342222 /nfs/dbraw/zinc/34/22/22/596342222.db2.gz QCCVDBBWNDXJFB-QGZVFWFLSA-N 1 0 331.391 1.917 20 10 EDCDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1Cc2cccc(O)c2C1 ZINC000875747427 596971594 /nfs/dbraw/zinc/97/15/94/596971594.db2.gz JOFAAQSTMICEPH-OAHLLOKOSA-N 1 0 331.416 1.671 20 10 EDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873112633 597200417 /nfs/dbraw/zinc/20/04/17/597200417.db2.gz FYSPORBBZLPMMQ-CQSZACIVSA-N 1 0 330.432 1.896 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000876750666 597321253 /nfs/dbraw/zinc/32/12/53/597321253.db2.gz XURNONKIIWFFMD-DYVFJYSZSA-N 1 0 335.423 1.728 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)cc1F ZINC000876780131 597337669 /nfs/dbraw/zinc/33/76/69/597337669.db2.gz DOKHEXKPJPAOLL-XJKSGUPXSA-N 1 0 335.423 1.856 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)c(OC)c1 ZINC000877227935 597468273 /nfs/dbraw/zinc/46/82/73/597468273.db2.gz QVVGCOKXGGKECY-GDBMZVCRSA-N 1 0 347.459 1.741 20 10 EDCDRO Cc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(O)c1 ZINC000877514115 597529137 /nfs/dbraw/zinc/52/91/37/597529137.db2.gz GMVGJQNOYVKUKJ-AWEZNQCLSA-N 1 0 326.462 1.804 20 10 EDCDRO Cc1noc(C2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000877580333 597538381 /nfs/dbraw/zinc/53/83/81/597538381.db2.gz RBVPGJILIJFWJY-UHFFFAOYSA-N 1 0 328.416 1.939 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCc4nnnn4CC3)cc2)CC1 ZINC000877596675 597540289 /nfs/dbraw/zinc/54/02/89/597540289.db2.gz PUCZGNMIBHSNBU-OAHLLOKOSA-N 1 0 342.447 1.129 20 10 EDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000877679862 597547162 /nfs/dbraw/zinc/54/71/62/597547162.db2.gz QYPHUQZFJSWWAJ-UWVGGRQHSA-N 1 0 328.796 1.510 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCN(CCc3cnccn3)CC2)cc1 ZINC000877704071 597548890 /nfs/dbraw/zinc/54/88/90/597548890.db2.gz ZBLZJQGUAANHSG-UHFFFAOYSA-N 1 0 325.460 1.903 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCOCC2)c1 ZINC000878360177 597597700 /nfs/dbraw/zinc/59/77/00/597597700.db2.gz IKALTDGEHZYFGC-STQMWFEESA-N 1 0 325.405 1.344 20 10 EDCDRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000879648418 597674161 /nfs/dbraw/zinc/67/41/61/597674161.db2.gz ODBXAISTVVJDKJ-ZIAGYGMSSA-N 1 0 349.431 1.732 20 10 EDCDRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000879653895 597675740 /nfs/dbraw/zinc/67/57/40/597675740.db2.gz XHVNRKTVFZQECN-ZDUSSCGKSA-N 1 0 334.416 1.845 20 10 EDCDRO CC(C)n1ncnc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283552 597699764 /nfs/dbraw/zinc/69/97/64/597699764.db2.gz JMIAOOSXQFTEJL-UHFFFAOYSA-N 1 0 328.464 1.901 20 10 EDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371824 597726372 /nfs/dbraw/zinc/72/63/72/597726372.db2.gz BBUADZUHQZJXBR-MRXNPFEDSA-N 1 0 349.475 1.287 20 10 EDCDRO C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000883446430 597750460 /nfs/dbraw/zinc/75/04/60/597750460.db2.gz DMMQEHKBJUHSRK-IIDMSEBBSA-N 1 0 332.492 1.817 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCOC4)cc2)CC1 ZINC000881852515 597755412 /nfs/dbraw/zinc/75/54/12/597755412.db2.gz UDZSILSTIKTAAQ-IEBWSBKVSA-N 1 0 329.444 1.481 20 10 EDCDRO COC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000883545292 597796510 /nfs/dbraw/zinc/79/65/10/597796510.db2.gz PJUQATKAMLGRDT-SFHVURJKSA-N 1 0 346.475 1.663 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ncccn3)cc2)CC1 ZINC000883778714 597897633 /nfs/dbraw/zinc/89/76/33/597897633.db2.gz HDTIOYYSOREMON-UHFFFAOYSA-N 1 0 340.431 1.228 20 10 EDCDRO CO[C@@H](C[NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000884305357 598060060 /nfs/dbraw/zinc/06/00/60/598060060.db2.gz UOPWYLNXABPDJF-SJORKVTESA-N 1 0 335.448 1.234 20 10 EDCDRO COCC[C@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000884305559 598060279 /nfs/dbraw/zinc/06/02/79/598060279.db2.gz ZOWRWSXCPFHNNF-ROUUACIJSA-N 1 0 349.475 1.624 20 10 EDCDRO COC(=O)c1cncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880247 598093830 /nfs/dbraw/zinc/09/38/30/598093830.db2.gz JGVBGYVENQATLT-UHFFFAOYSA-N 1 0 341.415 1.627 20 10 EDCDRO Cc1cc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)ccc1N1CCCCC1 ZINC000881379210 598136557 /nfs/dbraw/zinc/13/65/57/598136557.db2.gz LWPRNAYNYZUZFW-GOSISDBHSA-N 1 0 343.475 1.877 20 10 EDCDRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000193069306 695579388 /nfs/dbraw/zinc/57/93/88/695579388.db2.gz VDHRGJYGTIKFQA-UHFFFAOYSA-N 1 0 334.464 1.400 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1CC[NH2+]CC1 ZINC000325093879 701767702 /nfs/dbraw/zinc/76/77/02/701767702.db2.gz QIWNUARWJZWLFQ-UHFFFAOYSA-N 1 0 330.476 1.541 20 10 EDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000185777506 705130406 /nfs/dbraw/zinc/13/04/06/705130406.db2.gz PWUYSXBEODVPSM-INIZCTEOSA-N 1 0 333.432 1.844 20 10 EDCDRO C[C@H](O)C[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000999906778 707549080 /nfs/dbraw/zinc/54/90/80/707549080.db2.gz OPWXBUNRIIGQTK-FNBIGBAISA-N 1 0 333.392 1.422 20 10 EDCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C(N)=O)cc1C ZINC001004927268 707670448 /nfs/dbraw/zinc/67/04/48/707670448.db2.gz NVNOKEOEQOHLMP-UKRRQHHQSA-N 1 0 333.432 1.348 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)cc1 ZINC001034544004 710218065 /nfs/dbraw/zinc/21/80/65/710218065.db2.gz LITOGACPJVMONZ-HNNXBMFYSA-N 1 0 347.419 1.816 20 10 EDCDRO C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001034800202 711138671 /nfs/dbraw/zinc/13/86/71/711138671.db2.gz ADIXMFUSLBOKFG-MRVWCRGKSA-N 1 0 347.419 1.860 20 10 EDCDRO COc1cccc(C[N@@H+]2CCCN(CC(=O)NC(C)C)CC2)c1O ZINC000372392276 250219394 /nfs/dbraw/zinc/21/93/94/250219394.db2.gz UPRZSQGOWXHVEB-UHFFFAOYSA-N 1 0 335.448 1.433 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C2CC2)cc1 ZINC000372611158 250222276 /nfs/dbraw/zinc/22/22/76/250222276.db2.gz OUQFQGZFDDILEC-UHFFFAOYSA-N 1 0 339.443 1.926 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000374039001 250250308 /nfs/dbraw/zinc/25/03/08/250250308.db2.gz PEYRGOGAOYAAAM-QGZVFWFLSA-N 1 0 333.476 1.805 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000373218812 295004281 /nfs/dbraw/zinc/00/42/81/295004281.db2.gz VDRKTGHWDIKESV-OCCSQVGLSA-N 1 0 334.416 1.900 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419701796 447359739 /nfs/dbraw/zinc/35/97/39/447359739.db2.gz AYKJVGDFPSDMDU-OLZOCXBDSA-N 1 0 342.443 1.312 20 10 EDCDRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000527753992 305857203 /nfs/dbraw/zinc/85/72/03/305857203.db2.gz NBTKMFZDDPGVPN-KRWDZBQOSA-N 1 0 340.851 1.751 20 10 EDCDRO COc1ccc(N2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1F ZINC000378446130 447428387 /nfs/dbraw/zinc/42/83/87/447428387.db2.gz XGHJOIQMLCFRFE-CALCHBBNSA-N 1 0 349.450 1.820 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CC(=O)NCC(F)(F)F)CC2)cc1 ZINC000160567136 441897778 /nfs/dbraw/zinc/89/77/78/441897778.db2.gz NLHHOZYCXATKEF-UHFFFAOYSA-N 1 0 345.365 1.932 20 10 EDCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000154144027 442323588 /nfs/dbraw/zinc/32/35/88/442323588.db2.gz RHDRPWPRPSRMOM-ZDUSSCGKSA-N 1 0 326.462 1.687 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179283941 442612448 /nfs/dbraw/zinc/61/24/48/442612448.db2.gz RGPAXKUKHXGQCK-UHFFFAOYSA-N 1 0 334.464 1.560 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(O)c3O)cn2)CC1 ZINC000186839952 442619615 /nfs/dbraw/zinc/61/96/15/442619615.db2.gz IFRYSIAXTKHHCK-UHFFFAOYSA-N 1 0 342.399 1.175 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1F ZINC000188760092 442805947 /nfs/dbraw/zinc/80/59/47/442805947.db2.gz KACXFSGLGXXIJX-UHFFFAOYSA-N 1 0 345.422 1.971 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000182391055 442762713 /nfs/dbraw/zinc/76/27/13/442762713.db2.gz VFRCJTOCMQFQBF-IAQYHMDHSA-N 1 0 330.388 1.590 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](CO)C(C)(C)C)CC2)cc1 ZINC000265442729 442774804 /nfs/dbraw/zinc/77/48/04/442774804.db2.gz QMXPXKDGFCVAFI-KRWDZBQOSA-N 1 0 349.475 1.340 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(O)CCC3)CC2)cc1 ZINC000184607692 443048465 /nfs/dbraw/zinc/04/84/65/443048465.db2.gz IERRLSAOXHLWPL-UHFFFAOYSA-N 1 0 347.459 1.239 20 10 EDCDRO CCOC1CC(C[NH2+]Cc2ccc3c(c2)CCO3)(N2CCOCC2)C1 ZINC000195461025 443020813 /nfs/dbraw/zinc/02/08/13/443020813.db2.gz ZSOXZFPSCVKADA-UHFFFAOYSA-N 1 0 346.471 1.981 20 10 EDCDRO C=Cn1cc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000278914090 443474438 /nfs/dbraw/zinc/47/44/38/443474438.db2.gz SWDKXCMVTYJMFU-UHFFFAOYSA-N 1 0 341.459 1.904 20 10 EDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccccc2O)CC1=O ZINC000265067384 443522629 /nfs/dbraw/zinc/52/26/29/443522629.db2.gz NAPLXVLMTDDBSY-CVEARBPZSA-N 1 0 345.443 1.341 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)[C@@H]1CCOC1)cc2=O ZINC000274022455 443591885 /nfs/dbraw/zinc/59/18/85/443591885.db2.gz MWGODEGVCWZSPS-WDEREUQCSA-N 1 0 334.376 1.126 20 10 EDCDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283443119 443635215 /nfs/dbraw/zinc/63/52/15/443635215.db2.gz JZBYWKMZSUMNFD-KRWDZBQOSA-N 1 0 346.475 1.312 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]Cc1cccc(N3CCOCC3)n1)OCO2 ZINC000274778614 443611979 /nfs/dbraw/zinc/61/19/79/443611979.db2.gz KAPMBHQRHWDALY-UHFFFAOYSA-N 1 0 343.383 1.642 20 10 EDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000272423554 443620843 /nfs/dbraw/zinc/62/08/43/443620843.db2.gz HZQVSSNETCITMO-YJBOKZPZSA-N 1 0 348.491 1.307 20 10 EDCDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283535147 443656115 /nfs/dbraw/zinc/65/61/15/443656115.db2.gz POHKPWQASCSZKP-YOEHRIQHSA-N 1 0 344.459 1.064 20 10 EDCDRO C[C@H]1OCC[C@]12CN(CC(=O)NCc1ccc(N(C)C)cc1)CCO2 ZINC000280530770 443735047 /nfs/dbraw/zinc/73/50/47/443735047.db2.gz SLECBPYXFIBGQK-BEFAXECRSA-N 1 0 347.459 1.249 20 10 EDCDRO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccccc2O)CC(C)(C)O1 ZINC000284459969 443775947 /nfs/dbraw/zinc/77/59/47/443775947.db2.gz DTRAPGYJKCESIH-OAHLLOKOSA-N 1 0 336.432 1.476 20 10 EDCDRO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000292132108 443778005 /nfs/dbraw/zinc/77/80/05/443778005.db2.gz RNNPJEOWLNPTQY-OAHLLOKOSA-N 1 0 349.450 1.935 20 10 EDCDRO COc1cc(Cl)cc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000292739649 443831540 /nfs/dbraw/zinc/83/15/40/443831540.db2.gz HFHYMIJBVVWZNP-SNVBAGLBSA-N 1 0 333.837 1.921 20 10 EDCDRO COc1cc(Cl)cc(CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1O ZINC000292771967 443839723 /nfs/dbraw/zinc/83/97/23/443839723.db2.gz KNTHKFMDWNPRMR-BXUZGUMPSA-N 1 0 328.840 1.941 20 10 EDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000281205979 443847571 /nfs/dbraw/zinc/84/75/71/443847571.db2.gz SIGQFIVBKGQADB-STQMWFEESA-N 1 0 328.416 1.909 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(C)CCC[NH+]2CCCC2)cc1 ZINC000281466922 443919881 /nfs/dbraw/zinc/91/98/81/443919881.db2.gz VQJOPPGLPBLZQB-UHFFFAOYSA-N 1 0 332.492 1.787 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN(C)C2(C(N)=O)CCCC2)cc1 ZINC000299507914 444066088 /nfs/dbraw/zinc/06/60/88/444066088.db2.gz CBLRURCFBLAQQO-UHFFFAOYSA-N 1 0 332.448 1.099 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)c1O ZINC000289445723 444146342 /nfs/dbraw/zinc/14/63/42/444146342.db2.gz MMQOGWUDKVDBNB-UHFFFAOYSA-N 1 0 342.461 1.695 20 10 EDCDRO NC(=O)c1c[nH+]ccc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000302210321 444209183 /nfs/dbraw/zinc/20/91/83/444209183.db2.gz GJECXFMVFDKMNT-UHFFFAOYSA-N 1 0 330.363 1.768 20 10 EDCDRO CCS(=O)(=O)NC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000289571389 444173877 /nfs/dbraw/zinc/17/38/77/444173877.db2.gz ZQZBTRWHJYQRES-UHFFFAOYSA-N 1 0 328.434 1.305 20 10 EDCDRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1O ZINC000289956067 444224298 /nfs/dbraw/zinc/22/42/98/444224298.db2.gz YCXPQPWZKRGUIZ-UHFFFAOYSA-N 1 0 331.460 1.687 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](O)(c3nc(C4CC4)no3)C2)c1 ZINC000290367935 444272794 /nfs/dbraw/zinc/27/27/94/444272794.db2.gz HFRNONGOQOXYKM-QGZVFWFLSA-N 1 0 331.372 1.755 20 10 EDCDRO C[NH+](C)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000365226599 446088076 /nfs/dbraw/zinc/08/80/76/446088076.db2.gz DVOLYBWQXSHQNI-LLVKDONJSA-N 1 0 334.376 1.846 20 10 EDCDRO C[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366320441 446148364 /nfs/dbraw/zinc/14/83/64/446148364.db2.gz DOSPJUSJOZLLLD-QWRGUYRKSA-N 1 0 331.338 1.875 20 10 EDCDRO O=C1CO[C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2N1 ZINC000366765723 446340238 /nfs/dbraw/zinc/34/02/38/446340238.db2.gz FFDCZKPDYLQATK-ROUUACIJSA-N 1 0 329.444 1.766 20 10 EDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cc1OC ZINC000367228772 446525233 /nfs/dbraw/zinc/52/52/33/446525233.db2.gz LNGDYLHYNYYDTO-CQSZACIVSA-N 1 0 334.416 1.900 20 10 EDCDRO C[NH+](C)CCN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000376494236 446533987 /nfs/dbraw/zinc/53/39/87/446533987.db2.gz ZPLBKRBEFDAPIG-FNORWQNLSA-N 1 0 333.432 1.207 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)C3(C[NH3+])CCOCC3)CC2)cc1 ZINC000375343274 446737220 /nfs/dbraw/zinc/73/72/20/446737220.db2.gz VRTUAYBMIFYJSY-UHFFFAOYSA-N 1 0 347.459 1.489 20 10 EDCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000529663438 448918746 /nfs/dbraw/zinc/91/87/46/448918746.db2.gz AIHIWUSWWMTMMT-UHFFFAOYSA-N 1 0 333.432 1.179 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649347667 452030780 /nfs/dbraw/zinc/03/07/80/452030780.db2.gz OBJIHFXPEAAIKN-GFCCVEGCSA-N 1 0 325.359 1.723 20 10 EDCDRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000725803701 578282730 /nfs/dbraw/zinc/28/27/30/578282730.db2.gz OBHCUNLTQLLMOU-INIZCTEOSA-N 1 0 331.460 1.823 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cc1 ZINC000729929742 578602663 /nfs/dbraw/zinc/60/26/63/578602663.db2.gz PKYKGCCINOXHEM-MOPGFXCFSA-N 1 0 344.503 1.927 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000734527064 578821312 /nfs/dbraw/zinc/82/13/12/578821312.db2.gz LSVXBAMLDZIISN-QZTJIDSGSA-N 1 0 346.475 1.723 20 10 EDCDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2c(O)cccc2Cl)C1=O ZINC000748098864 579669603 /nfs/dbraw/zinc/66/96/03/579669603.db2.gz QFOSSFPGRDCUDA-QFYYESIMSA-N 1 0 337.807 1.856 20 10 EDCDRO COC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000754385717 579902446 /nfs/dbraw/zinc/90/24/46/579902446.db2.gz RULVXDZFEJGFBU-GOSISDBHSA-N 1 0 349.475 1.604 20 10 EDCDRO COC(=O)C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754516620 579905133 /nfs/dbraw/zinc/90/51/33/579905133.db2.gz MVTBFGMSKOTQPR-KRWDZBQOSA-N 1 0 347.459 1.642 20 10 EDCDRO CN1CC[NH+](CC2(C)CCN(C(=O)C3=CC(=O)CS3)CC2)CC1 ZINC000758707385 579989858 /nfs/dbraw/zinc/98/98/58/579989858.db2.gz MHWWAEANLWUWRR-UHFFFAOYSA-N 1 0 337.489 1.943 20 10 EDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000764384268 580118766 /nfs/dbraw/zinc/11/87/66/580118766.db2.gz WZCAGMFXHDGYET-UKRRQHHQSA-N 1 0 335.423 1.619 20 10 EDCDRO CCOCc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)ccc1OC ZINC000765266945 580138700 /nfs/dbraw/zinc/13/87/00/580138700.db2.gz MHFZNOQCCLCUSX-OAHLLOKOSA-N 1 0 327.446 1.899 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(N(C)C)cc1 ZINC000773295696 580332754 /nfs/dbraw/zinc/33/27/54/580332754.db2.gz JJBCFMTTZJDFMP-WMLDXEAASA-N 1 0 333.480 1.359 20 10 EDCDRO CCN(C)c1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000773747860 580345294 /nfs/dbraw/zinc/34/52/94/580345294.db2.gz KGVKUEIARAEZOW-UHFFFAOYSA-N 1 0 344.503 1.883 20 10 EDCDRO COc1c(O)c(CN2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000774875141 580376178 /nfs/dbraw/zinc/37/61/78/580376178.db2.gz IRBUKAOAKDCTNV-UHFFFAOYSA-N 1 0 339.392 1.198 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000775258849 580387014 /nfs/dbraw/zinc/38/70/14/580387014.db2.gz KXRDTMWROMKHQI-OAHLLOKOSA-N 1 0 340.427 1.629 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3nccn3C)CC2)cc1 ZINC000775382409 580389798 /nfs/dbraw/zinc/38/97/98/580389798.db2.gz NYPPCUDVEUXHDY-INIZCTEOSA-N 1 0 343.475 1.902 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000782530849 580577004 /nfs/dbraw/zinc/57/70/04/580577004.db2.gz YRRJQFVDJHJOTH-SFHVURJKSA-N 1 0 349.475 1.088 20 10 EDCDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000792183600 580812723 /nfs/dbraw/zinc/81/27/23/580812723.db2.gz ACQZLVMKVVGRMB-MRXNPFEDSA-N 1 0 347.434 1.859 20 10 EDCDRO O=C(CO)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000793592419 580848364 /nfs/dbraw/zinc/84/83/64/580848364.db2.gz LXWFABWYYIMPFX-UHFFFAOYSA-N 1 0 326.396 1.696 20 10 EDCDRO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C)cc1O ZINC000794802558 580906237 /nfs/dbraw/zinc/90/62/37/580906237.db2.gz OHWZSAARIOWLRL-CQSZACIVSA-N 1 0 327.446 1.681 20 10 EDCDRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000795660051 580933230 /nfs/dbraw/zinc/93/32/30/580933230.db2.gz YBZKUIOOQMZLJQ-MRXNPFEDSA-N 1 0 338.473 1.737 20 10 EDCDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000796512350 580955421 /nfs/dbraw/zinc/95/54/21/580955421.db2.gz XYZDYTHSCQQFNZ-LLVKDONJSA-N 1 0 332.853 1.949 20 10 EDCDRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cc(F)ccc2O)cn1 ZINC000893549986 590954111 /nfs/dbraw/zinc/95/41/11/590954111.db2.gz GUYBQZWLPDHYKU-UHFFFAOYSA-N 1 0 335.383 1.018 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCn2cncn2)[NH+](C)C)cc1 ZINC000891245794 591014977 /nfs/dbraw/zinc/01/49/77/591014977.db2.gz JIYNQKPVUOFLNK-QGZVFWFLSA-N 1 0 344.463 1.543 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CCOC3)[NH+](C)C)cc1 ZINC000891246785 591016001 /nfs/dbraw/zinc/01/60/01/591016001.db2.gz DLIHGSNEOIXDLF-ZIFCJYIRSA-N 1 0 331.460 1.898 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH]cn2)[NH+](C)C)cc1 ZINC000891248357 591017407 /nfs/dbraw/zinc/01/74/07/591017407.db2.gz LBJYZGZNMXPVQV-QGZVFWFLSA-N 1 0 329.448 1.827 20 10 EDCDRO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000891248113 591018029 /nfs/dbraw/zinc/01/80/29/591018029.db2.gz VVHAVOFQMHRCGF-OLMNPRSZSA-N 1 0 332.492 1.812 20 10 EDCDRO CC[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)OC ZINC000891250045 591018810 /nfs/dbraw/zinc/01/88/10/591018810.db2.gz YLUSLQNFJPOFPS-HOTGVXAUSA-N 1 0 335.448 1.671 20 10 EDCDRO COC(=O)C[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252727 591020584 /nfs/dbraw/zinc/02/05/84/591020584.db2.gz NELWXJLQTVBOOP-CJNGLKHVSA-N 1 0 335.448 1.671 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c(O)c1OC ZINC000892980574 591245855 /nfs/dbraw/zinc/24/58/55/591245855.db2.gz FMLIYUXCXXFXRB-ZDUSSCGKSA-N 1 0 346.387 1.038 20 10 EDCDRO O=C(NCCCSc1nccs1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841857190 591290071 /nfs/dbraw/zinc/29/00/71/591290071.db2.gz NRWOJBXNFMJSRX-VIFPVBQESA-N 1 0 336.433 1.922 20 10 EDCDRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)O1 ZINC000896382913 591444920 /nfs/dbraw/zinc/44/49/20/591444920.db2.gz RFAAZLONOQNKBP-KCXAZCMYSA-N 1 0 348.447 1.359 20 10 EDCDRO CN(C)c1ccc(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000895211935 591658847 /nfs/dbraw/zinc/65/88/47/591658847.db2.gz QLEPVZPBZBRWQW-UHFFFAOYSA-N 1 0 335.448 1.824 20 10 EDCDRO CC(C)[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101825 591682642 /nfs/dbraw/zinc/68/26/42/591682642.db2.gz MPBVDJXLNHLXRM-IAGOWNOFSA-N 1 0 336.480 1.671 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2(CO)CC2)[NH+](C)C)cc1 ZINC000899102599 591682688 /nfs/dbraw/zinc/68/26/88/591682688.db2.gz REHNUCFGJMNWJT-MRXNPFEDSA-N 1 0 334.464 1.427 20 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592025260 /nfs/dbraw/zinc/02/52/60/592025260.db2.gz QFGOWOVJULEPET-GRDNDAEWSA-N 1 0 335.400 1.588 20 10 EDCDRO CN(C)c1ccc(Cn2cc(CNC3CC[NH+](C)CC3)nn2)cc1 ZINC000900535189 592049760 /nfs/dbraw/zinc/04/97/60/592049760.db2.gz PGISDKJXNVDIHU-UHFFFAOYSA-N 1 0 328.464 1.576 20 10 EDCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCS(=O)(=O)C1 ZINC000903362307 592158553 /nfs/dbraw/zinc/15/85/53/592158553.db2.gz DFWGUEPGWKESOR-IINYFYTJSA-N 1 0 333.837 1.900 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903797397 592326316 /nfs/dbraw/zinc/32/63/16/592326316.db2.gz HFYPWQJADIBBBP-LPHOPBHVSA-N 1 0 330.476 1.572 20 10 EDCDRO C/C=C/[C@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000901288642 592326568 /nfs/dbraw/zinc/32/65/68/592326568.db2.gz YOKZUAYWHKFVNT-PHXNAMCJSA-N 1 0 343.471 1.772 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905291578 592485984 /nfs/dbraw/zinc/48/59/84/592485984.db2.gz NIODLFVEQDJPCA-CRAIPNDOSA-N 1 0 336.476 1.484 20 10 EDCDRO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905480858 592538462 /nfs/dbraw/zinc/53/84/62/592538462.db2.gz JXRJNZAAWTVRFQ-QGZVFWFLSA-N 1 0 333.476 1.885 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000911226612 592969367 /nfs/dbraw/zinc/96/93/67/592969367.db2.gz RLPUWQYEGVXVOI-NFAWXSAZSA-N 1 0 332.448 1.173 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000911632358 592970002 /nfs/dbraw/zinc/97/00/02/592970002.db2.gz FBVRLKWFTKSYEY-SJLPKXTDSA-N 1 0 331.460 1.999 20 10 EDCDRO COc1ncc(/C=C\C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000911665225 592973600 /nfs/dbraw/zinc/97/36/00/592973600.db2.gz BIDFGUNNZSOTBT-VCELZJIISA-N 1 0 341.415 1.381 20 10 EDCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000808216594 593241217 /nfs/dbraw/zinc/24/12/17/593241217.db2.gz BTRCEBOWFZAYGA-SUMWQHHRSA-N 1 0 334.416 1.556 20 10 EDCDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839191355 593273106 /nfs/dbraw/zinc/27/31/06/593273106.db2.gz OGHOUDWGOKQYFQ-SJORKVTESA-N 1 0 331.460 1.916 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)cc2=O ZINC000839195851 593275188 /nfs/dbraw/zinc/27/51/88/593275188.db2.gz IFTCWLMGAXOILM-OSMZGAPFSA-N 1 0 330.388 1.890 20 10 EDCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839600372 593347632 /nfs/dbraw/zinc/34/76/32/593347632.db2.gz BCUIUQGZPRTFOU-OUEOUJKYSA-N 1 0 343.471 1.724 20 10 EDCDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000810050038 593377359 /nfs/dbraw/zinc/37/73/59/593377359.db2.gz KYNGQZBGFVFYQJ-UHFFFAOYSA-N 1 0 327.494 1.822 20 10 EDCDRO COCC[C@@H](COC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000810173956 593387119 /nfs/dbraw/zinc/38/71/19/593387119.db2.gz LPYPCCWWQYTBSR-HNNXBMFYSA-N 1 0 326.412 1.803 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CCS(=O)(=O)N(C)C)CC2)cc1 ZINC000810264562 593390881 /nfs/dbraw/zinc/39/08/81/593390881.db2.gz VWQWCCLWGIFWTO-UHFFFAOYSA-N 1 0 341.477 1.145 20 10 EDCDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000818360721 593694516 /nfs/dbraw/zinc/69/45/16/593694516.db2.gz BRWHZSARQNIGLG-WFASDCNBSA-N 1 0 349.406 1.460 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H]3C[C@H]3C)CC2)cc1 ZINC000818956466 593730349 /nfs/dbraw/zinc/73/03/49/593730349.db2.gz LZKIBKYMQACUPY-SOLBZPMBSA-N 1 0 333.476 1.424 20 10 EDCDRO COCCCOc1ccccc1NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000819422221 593753966 /nfs/dbraw/zinc/75/39/66/593753966.db2.gz SPGFUVNPZWLCQW-INIZCTEOSA-N 1 0 337.464 1.122 20 10 EDCDRO C[C@H]1CN(CC[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000825246939 594154990 /nfs/dbraw/zinc/15/49/90/594154990.db2.gz LPZROBCAINSPRS-NSHDSACASA-N 1 0 329.238 1.965 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000829764840 594258519 /nfs/dbraw/zinc/25/85/19/594258519.db2.gz YVJYBKJYIHSWON-UHFFFAOYSA-N 1 0 330.436 1.321 20 10 EDCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CCN(C)C3=O)cc2)CC1 ZINC000827866927 594293681 /nfs/dbraw/zinc/29/36/81/594293681.db2.gz RIQRLCAHIZPCPS-GOSISDBHSA-N 1 0 331.460 1.964 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)c3ccnc(C[NH3+])c3)CC2)cc1 ZINC000828353493 594398808 /nfs/dbraw/zinc/39/88/08/594398808.db2.gz QMNPRQVZQBMZKI-UHFFFAOYSA-N 1 0 340.427 1.948 20 10 EDCDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000828932227 594532712 /nfs/dbraw/zinc/53/27/12/594532712.db2.gz NVEWZYLGOGEYNB-GOSISDBHSA-N 1 0 330.476 1.440 20 10 EDCDRO COC(=O)/C=C/c1ccc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000828988269 594543833 /nfs/dbraw/zinc/54/38/33/594543833.db2.gz VAQJVHLCVIQLNB-KUVDPZLZSA-N 1 0 331.372 1.921 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@@]2(COC)CC[NH2+]C2)cc1F ZINC000829038396 594554915 /nfs/dbraw/zinc/55/49/15/594554915.db2.gz GGRMRBXHINHSAO-SFHVURJKSA-N 1 0 337.439 1.914 20 10 EDCDRO [NH3+]CCCCn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)nn1 ZINC000827008729 594622446 /nfs/dbraw/zinc/62/24/46/594622446.db2.gz VVPVCPLQTXLMOR-UHFFFAOYSA-N 1 0 342.447 1.547 20 10 EDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832173197 594732186 /nfs/dbraw/zinc/73/21/86/594732186.db2.gz NSWXFTRNZWYCNW-KSSFIOAISA-N 1 0 346.475 1.345 20 10 EDCDRO CCC(=O)N1CCC[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832272957 594739545 /nfs/dbraw/zinc/73/95/45/594739545.db2.gz KKIVXSPBTCAIJY-NVXWUHKLSA-N 1 0 346.475 1.517 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCc3ccccc32)cc1 ZINC000832274071 594739596 /nfs/dbraw/zinc/73/95/96/594739596.db2.gz RPVSUCJHPGFXNY-GOSISDBHSA-N 1 0 338.455 1.931 20 10 EDCDRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841739678 594945664 /nfs/dbraw/zinc/94/56/64/594945664.db2.gz AXVQBIOIRFNPOL-JYJNAYRXSA-N 1 0 346.475 1.963 20 10 EDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc21 ZINC000841760680 594948247 /nfs/dbraw/zinc/94/82/47/594948247.db2.gz XVXFHRXZZGYTEB-IRXDYDNUSA-N 1 0 328.460 1.962 20 10 EDCDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccc(N)cc3)C2)CC1 ZINC000841819964 594958207 /nfs/dbraw/zinc/95/82/07/594958207.db2.gz HEIMBOYUANOSBO-QGZVFWFLSA-N 1 0 345.491 1.279 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1F ZINC000841943253 594986376 /nfs/dbraw/zinc/98/63/76/594986376.db2.gz IFJYJIHZUWPRHJ-HNNXBMFYSA-N 1 0 338.427 1.649 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000841985980 594995911 /nfs/dbraw/zinc/99/59/11/594995911.db2.gz COOZSMBTNAOBCZ-MAUKXSAKSA-N 1 0 346.475 1.915 20 10 EDCDRO COC[C@]1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841995571 594997612 /nfs/dbraw/zinc/99/76/12/594997612.db2.gz SLZGWROUGTVNEG-GOSISDBHSA-N 1 0 334.464 1.663 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000842035715 595006229 /nfs/dbraw/zinc/00/62/29/595006229.db2.gz HWVHEWUUUYYAOF-UHFFFAOYSA-N 1 0 332.448 1.147 20 10 EDCDRO C[C@@H](CCNC(=O)C(=O)NCCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000842209112 595039849 /nfs/dbraw/zinc/03/98/49/595039849.db2.gz APENUDDWTXLKPK-HNNXBMFYSA-N 1 0 346.475 1.308 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000842226080 595044759 /nfs/dbraw/zinc/04/47/59/595044759.db2.gz FQDJPLQYIRBPBF-HNNXBMFYSA-N 1 0 333.432 1.374 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000842248071 595053802 /nfs/dbraw/zinc/05/38/02/595053802.db2.gz IPUGGLXPXJEPPC-CQSZACIVSA-N 1 0 334.464 1.201 20 10 EDCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842254313 595056566 /nfs/dbraw/zinc/05/65/66/595056566.db2.gz UBLZNSBTFVVNEA-ZDUSSCGKSA-N 1 0 345.399 1.368 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Nc3ncccn3)C1)[C@@H](O)CO2 ZINC000842617775 595144083 /nfs/dbraw/zinc/14/40/83/595144083.db2.gz WGUZXSRCLNTAKN-DOMZBBRYSA-N 1 0 328.372 1.294 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CC(C)(C)O[C@@H]4COC[C@H]43)cc2)CC1 ZINC000846119151 595147700 /nfs/dbraw/zinc/14/77/00/595147700.db2.gz XXPRLCKIPXVYNE-RTBURBONSA-N 1 0 345.487 1.817 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846156217 595160635 /nfs/dbraw/zinc/16/06/35/595160635.db2.gz CQHDOEFUZKUEBZ-NEPJUHHUSA-N 1 0 328.434 1.333 20 10 EDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846162123 595162238 /nfs/dbraw/zinc/16/22/38/595162238.db2.gz BCRNUMYXIIGNEG-DUVNUKRYSA-N 1 0 325.405 1.872 20 10 EDCDRO C[C@@H]1CCCN1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785664 595198429 /nfs/dbraw/zinc/19/84/29/595198429.db2.gz PJTLKUDJMIHXLA-DOMZBBRYSA-N 1 0 326.466 1.071 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000835037774 595250996 /nfs/dbraw/zinc/25/09/96/595250996.db2.gz MREHBVDCGKCWBA-PXPSOEEZSA-N 1 0 344.503 1.943 20 10 EDCDRO Cn1cc(N2CC[C@@H](N3CCCc4cc(C[NH3+])ccc43)C2=O)cn1 ZINC000844219241 595305389 /nfs/dbraw/zinc/30/53/89/595305389.db2.gz KABYMFZOIPQQSY-QGZVFWFLSA-N 1 0 325.416 1.437 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)cc1 ZINC000844223778 595308137 /nfs/dbraw/zinc/30/81/37/595308137.db2.gz CAUQXWXWXJWUOU-CVEARBPZSA-N 1 0 346.475 1.026 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000844225181 595309347 /nfs/dbraw/zinc/30/93/47/595309347.db2.gz ZYHFPUMBSXLKIP-OAHLLOKOSA-N 1 0 340.418 1.250 20 10 EDCDRO COC(=O)[C@]12C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]1CCCC2 ZINC000848491554 595394965 /nfs/dbraw/zinc/39/49/65/595394965.db2.gz WBXGRYOCURYZRB-ACWOFJMJSA-N 1 0 347.411 1.983 20 10 EDCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1O ZINC000848553446 595404936 /nfs/dbraw/zinc/40/49/36/595404936.db2.gz SVHGCFGBLCPKIZ-BDAKNGLRSA-N 1 0 343.221 1.950 20 10 EDCDRO C[C@@H]1CN(C(=[NH2+])NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000849095953 595481477 /nfs/dbraw/zinc/48/14/77/595481477.db2.gz UJUYRVNCALHBAA-CYBMUJFWSA-N 1 0 336.411 1.407 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C=C3CC[NH2+]CC3)C2)cc1 ZINC000852894431 595602700 /nfs/dbraw/zinc/60/27/00/595602700.db2.gz WBSBVTJBAHJXDX-INIZCTEOSA-N 1 0 329.444 1.948 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000852900826 595605189 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COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000851660869 595873074 /nfs/dbraw/zinc/87/30/74/595873074.db2.gz BCDLPVSFRLLDJE-CABCVRRESA-N 1 0 332.448 1.573 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000851660976 595873155 /nfs/dbraw/zinc/87/31/55/595873155.db2.gz CBCDNFMNYYRWKV-HUUCEWRRSA-N 1 0 332.448 1.715 20 10 EDCDRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663545 595874338 /nfs/dbraw/zinc/87/43/38/595874338.db2.gz BTDMVOYAMKHYQY-MRXNPFEDSA-N 1 0 346.475 1.447 20 10 EDCDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851687033 595885443 /nfs/dbraw/zinc/88/54/43/595885443.db2.gz YDSHQUBZJFPUQN-XJKSGUPXSA-N 1 0 334.464 1.419 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3CC=CCC3)C2)cc1 ZINC000854298278 596026186 /nfs/dbraw/zinc/02/61/86/596026186.db2.gz ZLTOKHHMIAVZNS-INIZCTEOSA-N 1 0 344.459 1.835 20 10 EDCDRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000857061154 596150501 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O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000364908989 445967781 /nfs/dbraw/zinc/96/77/81/445967781.db2.gz CZKNPJHIWMHZBD-GFCCVEGCSA-N 1 0 325.359 1.592 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCC([C@H](O)c3ncc[nH]3)CC1)OCO2 ZINC000369139801 445949688 /nfs/dbraw/zinc/94/96/88/445949688.db2.gz LGJZJFHOPPWYHF-INIZCTEOSA-N 1 0 331.372 1.790 20 10 EDCDRO CC(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129961636 526723329 /nfs/dbraw/zinc/72/33/29/526723329.db2.gz VYLWTZDUKZFAAT-AWEZNQCLSA-N 1 0 339.823 1.262 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000742393535 579450761 /nfs/dbraw/zinc/45/07/61/579450761.db2.gz YIULWFJFABYVQA-LRDDRELGSA-N 1 0 344.415 1.808 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ncccn3)cc2F)CC1 ZINC000743338654 579476402 /nfs/dbraw/zinc/47/64/02/579476402.db2.gz DBZGUVXJAQGJSB-UHFFFAOYSA-N 1 0 343.406 1.688 20 10 EDCDRO OCCN1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000729931040 578603189 /nfs/dbraw/zinc/60/31/89/578603189.db2.gz YSTQHXVPHHRCQG-UHFFFAOYSA-N 1 0 329.238 1.701 20 10 EDCDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000753587705 579883224 /nfs/dbraw/zinc/88/32/24/579883224.db2.gz UJZOLZJKQWATNU-UHFFFAOYSA-N 1 0 331.416 1.598 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1F ZINC000754180175 579897926 /nfs/dbraw/zinc/89/79/26/579897926.db2.gz RQGBYKPIOADUPA-INIZCTEOSA-N 1 0 337.439 1.413 20 10 EDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnn(C)c1 ZINC000765250923 580138385 /nfs/dbraw/zinc/13/83/85/580138385.db2.gz DSEWLUAJZIYSBZ-GDBMZVCRSA-N 1 0 341.459 1.973 20 10 EDCDRO COc1ccc(N2CCC([NH2+]CCN3CCOC[C@H]3C)CC2)cc1 ZINC000765733106 580150122 /nfs/dbraw/zinc/15/01/22/580150122.db2.gz NLFBUNQEJNJWEN-MRXNPFEDSA-N 1 0 333.476 1.974 20 10 EDCDRO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(O)c1 ZINC000768194406 580208652 /nfs/dbraw/zinc/20/86/52/580208652.db2.gz XMOWVCDGQCDARF-UHFFFAOYSA-N 1 0 348.443 1.862 20 10 EDCDRO COc1cc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(O)cc1C ZINC000768445288 580213049 /nfs/dbraw/zinc/21/30/49/580213049.db2.gz HEFRYQWNQPKGOT-KRWDZBQOSA-N 1 0 333.476 1.921 20 10 EDCDRO O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1)N1CCCC1 ZINC000768447380 580213255 /nfs/dbraw/zinc/21/32/55/580213255.db2.gz OQUFLGWLKKJRHV-GUYCJALGSA-N 1 0 346.427 1.652 20 10 EDCDRO O=C([C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1)N1CCCC1 ZINC000768447377 580213304 /nfs/dbraw/zinc/21/33/04/580213304.db2.gz OQUFLGWLKKJRHV-DYVFJYSZSA-N 1 0 346.427 1.652 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC(OCCC(=O)NC)CC2)c1O ZINC000770287219 580257291 /nfs/dbraw/zinc/25/72/91/580257291.db2.gz WHPRPWPNOSSLSD-UHFFFAOYSA-N 1 0 336.432 1.908 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000775370995 580389441 /nfs/dbraw/zinc/38/94/41/580389441.db2.gz ZGAFSTIILGAFMO-STQMWFEESA-N 1 0 349.431 1.131 20 10 EDCDRO C[NH+]1CCN(c2ccc(CN3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000775694104 580397369 /nfs/dbraw/zinc/39/73/69/580397369.db2.gz FWVGXZOAYDWVSK-UHFFFAOYSA-N 1 0 337.489 1.059 20 10 EDCDRO CCOc1ccc(O)c(C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)c1 ZINC000779190066 580480785 /nfs/dbraw/zinc/48/07/85/580480785.db2.gz AIPFARSAYIOHQH-UHFFFAOYSA-N 1 0 336.432 1.860 20 10 EDCDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000788534658 580723870 /nfs/dbraw/zinc/72/38/70/580723870.db2.gz HRJBWNNAVVSARQ-WMZOPIPTSA-N 1 0 338.423 1.946 20 10 EDCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000788622408 580726110 /nfs/dbraw/zinc/72/61/10/580726110.db2.gz BTMOOLPQJKJCAL-IYOUNJFTSA-N 1 0 338.423 1.853 20 10 EDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C(=O)[O-])CCSC3)cc2)CC1 ZINC000789898087 580756408 /nfs/dbraw/zinc/75/64/08/580756408.db2.gz UBBVNFCEPOBYCG-KRWDZBQOSA-N 1 0 335.473 1.488 20 10 EDCDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793564615 580847862 /nfs/dbraw/zinc/84/78/62/580847862.db2.gz AZFVEPQCJIBRJI-INIZCTEOSA-N 1 0 338.473 1.737 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@]2(CCCOC2)O1 ZINC000794897545 580907509 /nfs/dbraw/zinc/90/75/09/580907509.db2.gz DFFIDLRZGTUTJJ-NJAPINKUSA-N 1 0 335.400 1.588 20 10 EDCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000795654621 580932968 /nfs/dbraw/zinc/93/29/68/580932968.db2.gz UQYFIJJKFNGYFQ-HNNXBMFYSA-N 1 0 326.462 1.865 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2cncn2C)[NH+](C)C)cc1 ZINC000891247109 591016306 /nfs/dbraw/zinc/01/63/06/591016306.db2.gz FCWHVFPRQHOQNX-SFHVURJKSA-N 1 0 343.475 1.838 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)c2cccnc2)[NH+](C)C)cc1 ZINC000891247855 591017573 /nfs/dbraw/zinc/01/75/73/591017573.db2.gz KWGDLNBSEUHGTI-ROUUACIJSA-N 1 0 342.443 1.600 20 10 EDCDRO CCN1CCO[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891250556 591018623 /nfs/dbraw/zinc/01/86/23/591018623.db2.gz AUAIHWPGWUBJHS-ROUUACIJSA-N 1 0 348.491 1.192 20 10 EDCDRO CCC(=O)N[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255000 591021805 /nfs/dbraw/zinc/02/18/05/591021805.db2.gz MDRHGDBQTQPAGJ-CZUORRHYSA-N 1 0 334.464 1.386 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)[NH+](C)C)cc1 ZINC000891256894 591022123 /nfs/dbraw/zinc/02/21/23/591022123.db2.gz BJWLXGKXULJYFI-INIZCTEOSA-N 1 0 328.416 1.886 20 10 EDCDRO C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000891439667 591073970 /nfs/dbraw/zinc/07/39/70/591073970.db2.gz APUALMLBVWPWCH-IIAWOOMASA-N 1 0 332.448 1.621 20 10 EDCDRO COC(=O)c1c(CN2CC[NH+](CCO)CC2)c2cc(F)ccc2n1C ZINC000893864343 591120113 /nfs/dbraw/zinc/12/01/13/591120113.db2.gz LEYSKRGPZDIUQI-UHFFFAOYSA-N 1 0 349.406 1.214 20 10 EDCDRO CCn1cc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000892706993 591141167 /nfs/dbraw/zinc/14/11/67/591141167.db2.gz ZYPQPZIZIJSLKR-UHFFFAOYSA-N 1 0 344.463 1.218 20 10 EDCDRO CC(C)NC(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891614899 591149259 /nfs/dbraw/zinc/14/92/59/591149259.db2.gz QNXXVZDDHSANTM-INIZCTEOSA-N 1 0 349.479 1.179 20 10 EDCDRO COC(=O)c1c(C[NH2+]CCCNC(C)=O)c2cc(F)ccc2n1C ZINC000894164070 591213677 /nfs/dbraw/zinc/21/36/77/591213677.db2.gz BBUJNYZYXABBFP-UHFFFAOYSA-N 1 0 335.379 1.720 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2cocn2)[NH+](C)C)cc1 ZINC000892893182 591217134 /nfs/dbraw/zinc/21/71/34/591217134.db2.gz UMEZUJKKKGPEGO-MRXNPFEDSA-N 1 0 331.420 1.843 20 10 EDCDRO COc1cc(C)cc(C[NH2+]CC2(OCCO)CCOCC2)c1O ZINC000894674076 591386509 /nfs/dbraw/zinc/38/65/09/591386509.db2.gz SQFAMYKQWJOPHL-UHFFFAOYSA-N 1 0 325.405 1.357 20 10 EDCDRO CC[C@@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C(=O)NC ZINC000894945977 591484204 /nfs/dbraw/zinc/48/42/04/591484204.db2.gz CFMARKRDPMFUHR-CYBMUJFWSA-N 1 0 335.379 1.718 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNc3nc(N)nc(C4CC4)n3)cc2)CC1 ZINC000895145216 591616934 /nfs/dbraw/zinc/61/69/34/591616934.db2.gz SNOAPJUBNCPVNA-UHFFFAOYSA-N 1 0 339.447 1.695 20 10 EDCDRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F ZINC000895229445 591665097 /nfs/dbraw/zinc/66/50/97/591665097.db2.gz VQHKMJIGLLHXEQ-CQDKDKBSSA-N 1 0 340.370 1.918 20 10 EDCDRO CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H](C)O ZINC000899097916 591676016 /nfs/dbraw/zinc/67/60/16/591676016.db2.gz IUOFKJZXGOYBRW-JQFCIGGWSA-N 1 0 336.480 1.814 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CCO)C2CC2)[NH+](C)C)cc1 ZINC000899103326 591683798 /nfs/dbraw/zinc/68/37/98/591683798.db2.gz ZDIUXIMSALLKMK-QZTJIDSGSA-N 1 0 348.491 1.816 20 10 EDCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nc[nH]n1 ZINC000899104708 591684191 /nfs/dbraw/zinc/68/41/91/591684191.db2.gz SKOILARNPBSUKA-DOMZBBRYSA-N 1 0 345.451 1.534 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)N2CCCC2)c(Cl)c1 ZINC000897828616 591686035 /nfs/dbraw/zinc/68/60/35/591686035.db2.gz ZMDQPWVFEXNAON-UHFFFAOYSA-N 1 0 332.853 1.869 20 10 EDCDRO C[C@@H]1C[C@@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100564 591689802 /nfs/dbraw/zinc/68/98/02/591689802.db2.gz ANRJQURVFKEXDY-XYPHTWIQSA-N 1 0 334.464 1.520 20 10 EDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897984316 591749485 /nfs/dbraw/zinc/74/94/85/591749485.db2.gz VJVQEBDZLFCHKC-KXBFYZLASA-N 1 0 345.487 1.829 20 10 EDCDRO COc1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)c(O)c1OC ZINC000895473930 591770808 /nfs/dbraw/zinc/77/08/08/591770808.db2.gz RBLDZRGMYZNMPS-OAHLLOKOSA-N 1 0 338.448 1.952 20 10 EDCDRO COC(=O)[C@@]1(C[NH2+]Cc2cc(C)c(C)cc2O)C[C@@H]1S(C)(=O)=O ZINC000895508192 591779921 /nfs/dbraw/zinc/77/99/21/591779921.db2.gz BPJSEMRRAPLLST-GOEBONIOSA-N 1 0 341.429 1.075 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1OC ZINC000898154746 591805721 /nfs/dbraw/zinc/80/57/21/591805721.db2.gz HZLRPVSTARSUHZ-LBPRGKRZSA-N 1 0 346.387 1.274 20 10 EDCDRO C[NH+](C)CCn1nccc1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000900249602 591958709 /nfs/dbraw/zinc/95/87/09/591958709.db2.gz KDKYFWRYXOKMNO-UHFFFAOYSA-N 1 0 343.387 1.119 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1)[C@H](O)CO2 ZINC000902606149 592023810 /nfs/dbraw/zinc/02/38/10/592023810.db2.gz MVVAOEARPRDOGJ-HACGYAERSA-N 1 0 335.400 1.445 20 10 EDCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCS(=O)(=O)C1 ZINC000903369618 592161696 /nfs/dbraw/zinc/16/16/96/592161696.db2.gz YTWKCGDDTPHGSG-BBRMVZONSA-N 1 0 326.462 1.607 20 10 EDCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)C2(O)CCCC2)N(C)C)cc1 ZINC000905707017 592618281 /nfs/dbraw/zinc/61/82/81/592618281.db2.gz XHQYLFIIODJNTP-ROUUACIJSA-N 1 0 335.492 1.611 20 10 EDCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 ZINC000905716793 592622116 /nfs/dbraw/zinc/62/21/16/592622116.db2.gz WXMSAOYJIGCDHT-PXAZEXFGSA-N 1 0 329.400 1.931 20 10 EDCDRO CN(C)c1ccc([C@H](CNC2CC[NH+](CC(=O)[O-])CC2)[NH+](C)C)cc1 ZINC000905810930 592647560 /nfs/dbraw/zinc/64/75/60/592647560.db2.gz PLRVKXYRMXXKDT-SFHVURJKSA-N 1 0 348.491 1.494 20 10 EDCDRO [NH3+]C1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000911504056 592933157 /nfs/dbraw/zinc/93/31/57/592933157.db2.gz UGOSSDOFXNFTOR-UHFFFAOYSA-N 1 0 345.443 1.661 20 10 EDCDRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289771 593161327 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/nfs/dbraw/zinc/33/45/53/596334553.db2.gz SIFUJKKEYYYPJJ-CYBMUJFWSA-N 1 0 340.387 1.207 20 10 EDCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000863751556 596673518 /nfs/dbraw/zinc/67/35/18/596673518.db2.gz JTRAPKCZSJXNRV-ZDUSSCGKSA-N 1 0 332.448 1.049 20 10 EDCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863772569 596682437 /nfs/dbraw/zinc/68/24/37/596682437.db2.gz XRXGNLMGPPWKAC-QGZVFWFLSA-N 1 0 346.475 1.167 20 10 EDCDRO CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2OC)CC1)[NH+](C)C ZINC000870165512 596783191 /nfs/dbraw/zinc/78/31/91/596783191.db2.gz YKJXXQYBRPRGOC-HNNXBMFYSA-N 1 0 335.448 1.693 20 10 EDCDRO C[N@@H+]1CC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC[C@H]21 ZINC000866205416 596827050 /nfs/dbraw/zinc/82/70/50/596827050.db2.gz LODBYCNPMYKYQV-CMPLNLGQSA-N 1 0 332.360 1.456 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CC34CCC4)CC2)cc1 ZINC000872250273 596853389 /nfs/dbraw/zinc/85/33/89/596853389.db2.gz HIEMFVQXVVOSBI-IEBWSBKVSA-N 1 0 345.487 1.710 20 10 EDCDRO COc1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1Cn1cccn1 ZINC000873115587 597201099 /nfs/dbraw/zinc/20/10/99/597201099.db2.gz QIRIDWVBVCKCDG-SFHVURJKSA-N 1 0 331.416 1.571 20 10 EDCDRO CO[C@@]1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCOC1 ZINC000876965845 597400011 /nfs/dbraw/zinc/40/00/11/597400011.db2.gz MBGQJFVLNOOIFY-LJQANCHMSA-N 1 0 334.460 1.790 20 10 EDCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c(O)c1 ZINC000876984131 597405320 /nfs/dbraw/zinc/40/53/20/597405320.db2.gz AZCOXHZUASNVSY-UHFFFAOYSA-N 1 0 334.441 1.910 20 10 EDCDRO COc1ccc(N2CCN(C(=O)c3c[nH+]ccc3N)CC2)c(OC)c1 ZINC000877228185 597468399 /nfs/dbraw/zinc/46/83/99/597468399.db2.gz WEOIUTXEPRZWED-UHFFFAOYSA-N 1 0 342.399 1.474 20 10 EDCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCc4nnnn4CC3)cc2)CC1 ZINC000877596672 597540256 /nfs/dbraw/zinc/54/02/56/597540256.db2.gz PUCZGNMIBHSNBU-HNNXBMFYSA-N 1 0 342.447 1.129 20 10 EDCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000877723289 597551216 /nfs/dbraw/zinc/55/12/16/597551216.db2.gz XLSUQGBYYANZSM-ZWNOBZJWSA-N 1 0 344.205 1.822 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cnsn3)cc2)CC1 ZINC000879547719 597628475 /nfs/dbraw/zinc/62/84/75/597628475.db2.gz DNBRXZBWLXCRHS-UHFFFAOYSA-N 1 0 332.433 1.612 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc[n+]([O-])cc3)cc2)CC1 ZINC000881849748 597753310 /nfs/dbraw/zinc/75/33/10/597753310.db2.gz VRPNEJQWDGRGRR-UHFFFAOYSA-N 1 0 326.400 1.002 20 10 EDCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)n1cccn1 ZINC000881850354 597753918 /nfs/dbraw/zinc/75/39/18/597753918.db2.gz RZZKVLPQLZCNEL-OAHLLOKOSA-N 1 0 327.432 1.512 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(N)=O)o3)cc2)CC1 ZINC000881852415 597755072 /nfs/dbraw/zinc/75/50/72/597755072.db2.gz OZRQWONPQYAEOG-UHFFFAOYSA-N 1 0 342.399 1.060 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](CF)C3)CC2)cc1 ZINC000880289714 597892695 /nfs/dbraw/zinc/89/26/95/597892695.db2.gz PETTZHHXGDOUIE-OAHLLOKOSA-N 1 0 335.423 1.635 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000918872032 697219044 /nfs/dbraw/zinc/21/90/44/697219044.db2.gz PKIJNYIAHOSXID-UHFFFAOYSA-N 1 0 343.387 1.605 20 10 EDCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC000996439871 702769221 /nfs/dbraw/zinc/76/92/21/702769221.db2.gz HAJAOAMZYCHMJV-HZPDHXFCSA-N 1 0 347.415 1.749 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)C(N)=O)C2)cc1C ZINC000999423538 706929261 /nfs/dbraw/zinc/92/92/61/706929261.db2.gz OCQYYGXBSNNLBQ-OAHLLOKOSA-N 1 0 347.459 1.596 20 10 EDCDRO O=c1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc[nH]1 ZINC000921739089 707933487 /nfs/dbraw/zinc/93/34/87/707933487.db2.gz XDOREVFYMLJSGB-UHFFFAOYSA-N 1 0 347.440 1.312 20 10 EDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000106380090 237089736 /nfs/dbraw/zinc/08/97/36/237089736.db2.gz YKCBLNRKAAAVSF-IBGZPJMESA-N 1 0 331.460 1.476 20 10 EDCDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(O)c1O ZINC000370357715 250206122 /nfs/dbraw/zinc/20/61/22/250206122.db2.gz CHEHGBXCMUGCLD-GDBMZVCRSA-N 1 0 347.459 1.504 20 10 EDCDRO COc1cccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1O ZINC000093821265 533480095 /nfs/dbraw/zinc/48/00/95/533480095.db2.gz WPZWQILTGZTZEN-HNNXBMFYSA-N 1 0 333.432 1.139 20 10 EDCDRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cc(Cl)ccc1O ZINC000527752013 305856973 /nfs/dbraw/zinc/85/69/73/305856973.db2.gz FJQPLOGZYATXLG-QGZVFWFLSA-N 1 0 340.851 1.751 20 10 EDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419715012 447368400 /nfs/dbraw/zinc/36/84/00/447368400.db2.gz YOBMBKBSKLRJDL-AWEZNQCLSA-N 1 0 342.443 1.361 20 10 EDCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090885800 441645619 /nfs/dbraw/zinc/64/56/19/441645619.db2.gz UFACAIJCMUZFOT-CXAGYDPISA-N 1 0 348.422 1.780 20 10 EDCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)CN3CCOCC3)CC2)cc1 ZINC000091509149 441709261 /nfs/dbraw/zinc/70/92/61/441709261.db2.gz WBEVZHQPLCWZHF-KRWDZBQOSA-N 1 0 333.476 1.928 20 10 EDCDRO COc1cc(O)c(C[NH+]2CCC(Cn3ccnn3)CC2)cc1OC ZINC000160479921 441887506 /nfs/dbraw/zinc/88/75/06/441887506.db2.gz NAHAHQNQWKLZCJ-UHFFFAOYSA-N 1 0 332.404 1.913 20 10 EDCDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1=O ZINC000191622753 442477530 /nfs/dbraw/zinc/47/75/30/442477530.db2.gz RFXDARXLBQLCQG-OAHLLOKOSA-N 1 0 344.415 1.902 20 10 EDCDRO CCN(C1CC[NH+](Cc2cc(OC)ccc2O)CC1)S(C)(=O)=O ZINC000180186279 442555558 /nfs/dbraw/zinc/55/55/58/442555558.db2.gz BJPZZARGWJTPNR-UHFFFAOYSA-N 1 0 342.461 1.647 20 10 EDCDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000186963331 442637438 /nfs/dbraw/zinc/63/74/38/442637438.db2.gz ZSNSEENLKHMOIX-UHFFFAOYSA-N 1 0 330.384 1.968 20 10 EDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000237931477 443189497 /nfs/dbraw/zinc/18/94/97/443189497.db2.gz RXMHNTYSPGXTDI-UHFFFAOYSA-N 1 0 343.349 1.650 20 10 EDCDRO COCCC[N@H+](C)CCNC(=O)NCc1cccc(OC)c1O ZINC000266781532 443239704 /nfs/dbraw/zinc/23/97/04/443239704.db2.gz LIANNPSTPIQSEZ-UHFFFAOYSA-N 1 0 325.409 1.168 20 10 EDCDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000270308074 443466108 /nfs/dbraw/zinc/46/61/08/443466108.db2.gz DROLCMDJTKDTRH-AWEZNQCLSA-N 1 0 335.423 1.668 20 10 EDCDRO CNS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000271718491 443511350 /nfs/dbraw/zinc/51/13/50/443511350.db2.gz JBHWNKDHPFDFFS-UHFFFAOYSA-N 1 0 332.853 1.868 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273601742 443582637 /nfs/dbraw/zinc/58/26/37/443582637.db2.gz SBIHIKNBDDNJPS-LSDHHAIUSA-N 1 0 349.475 1.713 20 10 EDCDRO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000267695106 443544065 /nfs/dbraw/zinc/54/40/65/443544065.db2.gz SRMQDLNLDXEQIJ-GASCZTMLSA-N 1 0 349.450 1.866 20 10 EDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc(Br)c1O ZINC000288116215 443776154 /nfs/dbraw/zinc/77/61/54/443776154.db2.gz VXQOLXCIZGMNKZ-VIFPVBQESA-N 1 0 330.226 1.904 20 10 EDCDRO COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCOCC1 ZINC000292833732 443855526 /nfs/dbraw/zinc/85/55/26/443855526.db2.gz ROLUNIZLJVGULG-UHFFFAOYSA-N 1 0 325.405 1.942 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000289095718 444052553 /nfs/dbraw/zinc/05/25/53/444052553.db2.gz BUNYSASVXXXASZ-ZDUSSCGKSA-N 1 0 328.434 1.257 20 10 EDCDRO COc1cc(O)c(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1OC ZINC000277654606 444018514 /nfs/dbraw/zinc/01/85/14/444018514.db2.gz ZIVLKTJENNSKAG-CQSZACIVSA-N 1 0 338.448 2.000 20 10 EDCDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000278153543 444108488 /nfs/dbraw/zinc/10/84/88/444108488.db2.gz CMEXVLKAZPNFSL-LBPRGKRZSA-N 1 0 339.392 1.462 20 10 EDCDRO COc1cccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000289328816 444108859 /nfs/dbraw/zinc/10/88/59/444108859.db2.gz GNHCTALBULOMPE-UHFFFAOYSA-N 1 0 328.434 1.162 20 10 EDCDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278305213 444134254 /nfs/dbraw/zinc/13/42/54/444134254.db2.gz WIPXXWSMVGWQJN-ZDUSSCGKSA-N 1 0 339.392 1.198 20 10 EDCDRO CN(CC[N@H+](C)Cc1ccccc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000294955364 444161765 /nfs/dbraw/zinc/16/17/65/444161765.db2.gz DKXGNTNRCZESBO-UHFFFAOYSA-N 1 0 349.456 1.608 20 10 EDCDRO CN1CCc2cc(CNC(=O)NCC[N@@H+]3CCCOCC3)ccc21 ZINC000364736710 445949471 /nfs/dbraw/zinc/94/94/71/445949471.db2.gz QCHIWUQIWRBHLM-UHFFFAOYSA-N 1 0 332.448 1.200 20 10 EDCDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000359498448 446259917 /nfs/dbraw/zinc/25/99/17/446259917.db2.gz DIZYMBFCSBDICI-UHFFFAOYSA-N 1 0 330.413 1.916 20 10 EDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1N1CCOCC1 ZINC000367479943 446552273 /nfs/dbraw/zinc/55/22/73/446552273.db2.gz ZVQZNPVTDZBEEB-HIFRSBDPSA-N 1 0 334.416 1.664 20 10 EDCDRO CNC(=O)CN1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000376830464 446742010 /nfs/dbraw/zinc/74/20/10/446742010.db2.gz CRVOULIZVSABMN-UHFFFAOYSA-N 1 0 325.840 1.608 20 10 EDCDRO CCCOc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c(O)c1 ZINC000369043912 447283763 /nfs/dbraw/zinc/28/37/63/447283763.db2.gz CCQGFCQZGYJWKC-UHFFFAOYSA-N 1 0 328.434 1.434 20 10 EDCDRO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(O)c1O ZINC000529910374 449001496 /nfs/dbraw/zinc/00/14/96/449001496.db2.gz CVEMYODJDWYVGD-UHFFFAOYSA-N 1 0 334.416 1.733 20 10 EDCDRO [NH3+]Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000165185949 491018257 /nfs/dbraw/zinc/01/82/57/491018257.db2.gz JHYPPERJYMDHQI-UHFFFAOYSA-N 1 0 325.412 1.912 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[NH+](CC)CC1 ZINC000742249569 579445418 /nfs/dbraw/zinc/44/54/18/579445418.db2.gz WLZCCBQZPONXJN-UHFFFAOYSA-N 1 0 332.492 1.739 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000759705469 580012554 /nfs/dbraw/zinc/01/25/54/580012554.db2.gz QYOLROQXFFVBQY-INIZCTEOSA-N 1 0 339.439 1.831 20 10 EDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000736663788 579009790 /nfs/dbraw/zinc/00/97/90/579009790.db2.gz AHHMXVCWVCMMGZ-CHWSQXEVSA-N 1 0 337.420 1.482 20 10 EDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000748098418 579669506 /nfs/dbraw/zinc/66/95/06/579669506.db2.gz CFNZOYHIVAWCSB-GTNSWQLSSA-N 1 0 333.388 1.211 20 10 EDCDRO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000753545846 579882575 /nfs/dbraw/zinc/88/25/75/579882575.db2.gz WLLCZRAOCWCXPA-CALCHBBNSA-N 1 0 329.396 1.899 20 10 EDCDRO CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756410844 579949641 /nfs/dbraw/zinc/94/96/41/579949641.db2.gz KLKOWACIRVEQDO-KGLIPLIRSA-N 1 0 336.436 1.977 20 10 EDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000757920377 579973076 /nfs/dbraw/zinc/97/30/76/579973076.db2.gz RBYBWWQEHFTBIY-INIZCTEOSA-N 1 0 327.377 1.467 20 10 EDCDRO CCc1nccn1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758221638 579977225 /nfs/dbraw/zinc/97/72/25/579977225.db2.gz HJUVVDYVLYQAGQ-KRWDZBQOSA-N 1 0 344.459 1.637 20 10 EDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000759173892 580000203 /nfs/dbraw/zinc/00/02/03/580000203.db2.gz QOGIFPREAXNGSC-FUHWJXTLSA-N 1 0 338.423 1.946 20 10 EDCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)nc1 ZINC000761970915 580064498 /nfs/dbraw/zinc/06/44/98/580064498.db2.gz UIWPRMWVQTWQPQ-UHFFFAOYSA-N 1 0 345.468 1.915 20 10 EDCDRO O=C1CCCCN1C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768462475 580213786 /nfs/dbraw/zinc/21/37/86/580213786.db2.gz LUYCXCMAZPVLGP-KRWDZBQOSA-N 1 0 346.427 1.795 20 10 EDCDRO COC(=O)CCC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768462706 580213828 /nfs/dbraw/zinc/21/38/28/580213828.db2.gz CBVDRGWUJJNARF-MRXNPFEDSA-N 1 0 335.400 1.983 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCCN2CCCC2=O)c1 ZINC000775369121 580389366 /nfs/dbraw/zinc/38/93/66/580389366.db2.gz JYNOJJHFFHIIEA-ZDUSSCGKSA-N 1 0 349.431 1.180 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000775369860 580389424 /nfs/dbraw/zinc/38/94/24/580389424.db2.gz ALETUAPFHYKROT-OLZOCXBDSA-N 1 0 325.405 1.608 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COC[C@H]2CCCO2)c1 ZINC000775373519 580389539 /nfs/dbraw/zinc/38/95/39/580389539.db2.gz SXJMDCIFYZVYMP-KCQAQPDRSA-N 1 0 325.405 1.608 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COC[C@H]2CCCO2)c1 ZINC000775373518 580389547 /nfs/dbraw/zinc/38/95/47/580389547.db2.gz SXJMDCIFYZVYMP-GZBFAFLISA-N 1 0 325.405 1.608 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC(=O)NC2CCCC2)c1 ZINC000775373224 580389560 /nfs/dbraw/zinc/38/95/60/580389560.db2.gz PPBOXFDHPAUKOB-LLVKDONJSA-N 1 0 335.404 1.820 20 10 EDCDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCOC1 ZINC000787334389 580693322 /nfs/dbraw/zinc/69/33/22/580693322.db2.gz LBPGRUCZOKRCAS-GFCCVEGCSA-N 1 0 326.349 1.546 20 10 EDCDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nnnn1C1CC1 ZINC000791008171 580782855 /nfs/dbraw/zinc/78/28/55/580782855.db2.gz CZAJIKPTEKPCJD-AWEZNQCLSA-N 1 0 341.463 1.611 20 10 EDCDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000791199856 580786142 /nfs/dbraw/zinc/78/61/42/580786142.db2.gz WVMQTIOSIYPWNK-LLVKDONJSA-N 1 0 326.368 1.324 20 10 EDCDRO COc1ccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)c(O)c1 ZINC000792952062 580831798 /nfs/dbraw/zinc/83/17/98/580831798.db2.gz DYCCZHDNSPCVED-UHFFFAOYSA-N 1 0 337.420 1.311 20 10 EDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000800309924 581050275 /nfs/dbraw/zinc/05/02/75/581050275.db2.gz QAQDKOGBFQIKRZ-AAEUAGOBSA-N 1 0 328.434 1.208 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[S@@](C)=O)[NH+](C)C)cc1 ZINC000893209569 590711367 /nfs/dbraw/zinc/71/13/67/590711367.db2.gz VGALIRPSYBKZAC-IQMFZBJNSA-N 1 0 340.493 1.033 20 10 EDCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)N(C)C ZINC000891990036 590730654 /nfs/dbraw/zinc/73/06/54/590730654.db2.gz MCCLKNMZLZPSIF-XJKSGUPXSA-N 1 0 349.479 1.131 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]([NH3+])C[C@H]3C)C2)cc1 ZINC000892192539 590858465 /nfs/dbraw/zinc/85/84/65/590858465.db2.gz FCYQNZMJNMSCQB-RBSFLKMASA-N 1 0 332.448 1.653 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cn(C)cn2)[NH+](C)C)cc1 ZINC000891241252 591012843 /nfs/dbraw/zinc/01/28/43/591012843.db2.gz AAERWKWAIRCUFX-MZEUMTGBSA-N 1 0 341.459 1.918 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)cc[nH]2)[NH+](C)C)cc1 ZINC000891243890 591014319 /nfs/dbraw/zinc/01/43/19/591014319.db2.gz UXJGAUZQPYMPML-QGZVFWFLSA-N 1 0 328.416 1.474 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)o2)[NH+](C)C)cc1 ZINC000891250659 591018886 /nfs/dbraw/zinc/01/88/86/591018886.db2.gz BNUUXIUNPZEFTC-CQSZACIVSA-N 1 0 344.415 1.477 20 10 EDCDRO COc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)c(O)c1OC ZINC000891407836 591068487 /nfs/dbraw/zinc/06/84/87/591068487.db2.gz UJMOLMQITUOUOX-UHFFFAOYSA-N 1 0 335.404 1.399 20 10 EDCDRO CNS(=O)(=O)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000894019720 591168312 /nfs/dbraw/zinc/16/83/12/591168312.db2.gz BHTVBHZZJSKLNS-UHFFFAOYSA-N 1 0 328.434 1.223 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892783187 591174038 /nfs/dbraw/zinc/17/40/38/591174038.db2.gz INULDVMTJTWKIZ-HNNXBMFYSA-N 1 0 333.432 1.692 20 10 EDCDRO COc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c(O)c1OC ZINC000894294611 591269439 /nfs/dbraw/zinc/26/94/39/591269439.db2.gz MLYAJISZUOAWPR-JSGCOSHPSA-N 1 0 327.421 1.657 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000894317201 591276033 /nfs/dbraw/zinc/27/60/33/591276033.db2.gz KQQNEEZIMFUUKU-ACJLOTCBSA-N 1 0 347.415 1.519 20 10 EDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450086 591353385 /nfs/dbraw/zinc/35/33/85/591353385.db2.gz MZFUJPHVVSPVDF-PBHICJAKSA-N 1 0 341.521 1.768 20 10 EDCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1O ZINC000896313405 591420907 /nfs/dbraw/zinc/42/09/07/591420907.db2.gz ACGUPUQGKXLGMN-UHFFFAOYSA-N 1 0 334.463 1.102 20 10 EDCDRO C/C=C\C[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899104997 591684373 /nfs/dbraw/zinc/68/43/73/591684373.db2.gz UWDITUZPKDPPQV-ANBQXBGZSA-N 1 0 348.491 1.982 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)C2CCC2)[NH+](C)C)cc1 ZINC000899098502 591688216 /nfs/dbraw/zinc/68/82/16/591688216.db2.gz OZYDTDIQRPBPBH-ZWKOTPCHSA-N 1 0 348.491 1.816 20 10 EDCDRO C[C@H](O)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899099090 591688972 /nfs/dbraw/zinc/68/89/72/591688972.db2.gz VIKOXDZSNGAFEY-KBXCAEBGSA-N 1 0 348.491 1.910 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc1 ZINC000897047733 591721497 /nfs/dbraw/zinc/72/14/97/591721497.db2.gz XPWLMPDRVRKDST-JXCVUKRWSA-N 1 0 343.471 1.729 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898152550 591804188 /nfs/dbraw/zinc/80/41/88/591804188.db2.gz KMHSTTBFMLEPCP-VXGBXAGGSA-N 1 0 330.388 1.826 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C(=O)[O-])O1 ZINC000901910908 591866949 /nfs/dbraw/zinc/86/69/49/591866949.db2.gz SHMBJVWMNFDEAC-RHSMWYFYSA-N 1 0 333.432 1.112 20 10 EDCDRO CCN(C)c1ccc(Cn2cc(CNC3CC[NH+](C)CC3)nn2)cc1 ZINC000900550099 592045856 /nfs/dbraw/zinc/04/58/56/592045856.db2.gz NKKFLMSJEXUZIZ-UHFFFAOYSA-N 1 0 342.491 1.966 20 10 EDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)OC3COC3)cc2F)CC1 ZINC000902853695 592076232 /nfs/dbraw/zinc/07/62/32/592076232.db2.gz LZEYOHDTXHVMAZ-UHFFFAOYSA-N 1 0 337.395 1.593 20 10 EDCDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000901133377 592251263 /nfs/dbraw/zinc/25/12/63/592251263.db2.gz XDEADCYGPLOIIH-UHFFFAOYSA-N 1 0 335.448 1.520 20 10 EDCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C3(O)CCCC3)CC2)cc1 ZINC000905085510 592391245 /nfs/dbraw/zinc/39/12/45/592391245.db2.gz WQRQISFPTFONCJ-GOSISDBHSA-N 1 0 334.460 1.920 20 10 EDCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)F ZINC000905060605 592396498 /nfs/dbraw/zinc/39/64/98/592396498.db2.gz WBFZCGKIBYLLSM-DYVFJYSZSA-N 1 0 341.402 1.494 20 10 EDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccn2)[NH+](C)C)cc1 ZINC000908460244 592501110 /nfs/dbraw/zinc/50/11/10/592501110.db2.gz QFLUAOXPZPCWAK-INIZCTEOSA-N 1 0 348.472 1.729 20 10 EDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CCCF)[NH+](C)C)cc1 ZINC000908457831 592507406 /nfs/dbraw/zinc/50/74/06/592507406.db2.gz MFLZRUJCJROLKM-HNNXBMFYSA-N 1 0 331.457 1.634 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC2CC[NH+](CC(=O)[O-])CC2)[NH+](C)C)cc1 ZINC000905810929 592647759 /nfs/dbraw/zinc/64/77/59/592647759.db2.gz PLRVKXYRMXXKDT-GOSISDBHSA-N 1 0 348.491 1.494 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000910994069 592908225 /nfs/dbraw/zinc/90/82/25/592908225.db2.gz USXWJFIMLIFZOI-HNAYVOBHSA-N 1 0 344.459 1.099 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911633350 592970866 /nfs/dbraw/zinc/97/08/66/592970866.db2.gz QPBKYDUNXXUDQC-HKUYNNGSSA-N 1 0 331.460 1.748 20 10 EDCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000808446185 593258973 /nfs/dbraw/zinc/25/89/73/593258973.db2.gz JABFKIFPVBGSAI-QEJZJMRPSA-N 1 0 332.400 1.858 20 10 EDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146087 593264450 /nfs/dbraw/zinc/26/44/50/593264450.db2.gz WIPFKAKLJSOWIV-LLVKDONJSA-N 1 0 348.415 1.324 20 10 EDCDRO CC(C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@H]1CCC(=O)N1 ZINC000839669458 593366493 /nfs/dbraw/zinc/36/64/93/593366493.db2.gz OXTRYVCPTFELSV-MRXNPFEDSA-N 1 0 346.475 1.358 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000817761529 593628859 /nfs/dbraw/zinc/62/88/59/593628859.db2.gz MFFHTFRIKKEPCL-QGZVFWFLSA-N 1 0 346.475 1.264 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000817950023 593651359 /nfs/dbraw/zinc/65/13/59/593651359.db2.gz QBZIILBDQNNVKJ-ZBFHGGJFSA-N 1 0 347.459 1.717 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000817975067 593652949 /nfs/dbraw/zinc/65/29/49/593652949.db2.gz QJCNXQJVNXAEJW-GASCZTMLSA-N 1 0 347.459 1.730 20 10 EDCDRO O=C(COC1CC[NH2+]CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000817993302 593654484 /nfs/dbraw/zinc/65/44/84/593654484.db2.gz FALIFQOLPGWTIS-QGZVFWFLSA-N 1 0 348.443 1.668 20 10 EDCDRO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000818655324 593710489 /nfs/dbraw/zinc/71/04/89/593710489.db2.gz LEXXGQQMQBNSIA-HZPDHXFCSA-N 1 0 346.475 1.915 20 10 EDCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968251 593731037 /nfs/dbraw/zinc/73/10/37/593731037.db2.gz OZOLADUBZNEXNI-ZBFHGGJFSA-N 1 0 337.489 1.202 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=S)NCC[NH+](C)C)C2)cc1 ZINC000819019532 593734111 /nfs/dbraw/zinc/73/41/11/593734111.db2.gz AVVOYGRWRFFMBL-AWEZNQCLSA-N 1 0 336.505 1.547 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC[C@H](C)F)CC2)cc1 ZINC000819334150 593750977 /nfs/dbraw/zinc/75/09/77/593750977.db2.gz VTSMQSMBDDFUFQ-RDJZCZTQSA-N 1 0 339.455 1.516 20 10 EDCDRO C[NH+](C)C1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000822938028 594125536 /nfs/dbraw/zinc/12/55/36/594125536.db2.gz OVPLPNNMCWKVBK-OAHLLOKOSA-N 1 0 344.459 1.099 20 10 EDCDRO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(N2CCOCC2)cc1 ZINC000827725387 594265840 /nfs/dbraw/zinc/26/58/40/594265840.db2.gz GWMUSOPFVNSLKT-PBHICJAKSA-N 1 0 333.432 1.079 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000828353318 594398646 /nfs/dbraw/zinc/39/86/46/594398646.db2.gz MMIKMSSUUVYQPP-KRWDZBQOSA-N 1 0 333.432 1.159 20 10 EDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCNC(=O)CC1 ZINC000827337301 594662220 /nfs/dbraw/zinc/66/22/20/594662220.db2.gz UPOJHYNKMDXAPR-KRWDZBQOSA-N 1 0 331.460 1.871 20 10 EDCDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469496 594675168 /nfs/dbraw/zinc/67/51/68/594675168.db2.gz ZLIJEOVMNGOGGD-GDBMZVCRSA-N 1 0 344.459 1.003 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c(cn2)OCCO3)cc1 ZINC000832267319 594739014 /nfs/dbraw/zinc/73/90/14/594739014.db2.gz QKZQCPGXLUWPDX-AWEZNQCLSA-N 1 0 342.399 1.349 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc3cncn32)cc1 ZINC000832272489 594739506 /nfs/dbraw/zinc/73/95/06/594739506.db2.gz GFFLSLHLNQSZRG-ZDUSSCGKSA-N 1 0 329.429 1.892 20 10 EDCDRO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cc(Br)ccc1O ZINC000840805745 594817327 /nfs/dbraw/zinc/81/73/27/594817327.db2.gz TXVFLIQHUFWNPU-KOLCDFICSA-N 1 0 341.209 1.458 20 10 EDCDRO C[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(Cl)ccc1O ZINC000840898670 594824968 /nfs/dbraw/zinc/82/49/68/594824968.db2.gz ZTDNDTACYUJSOT-SNVBAGLBSA-N 1 0 337.811 1.867 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(Cl)c1 ZINC000840908416 594826433 /nfs/dbraw/zinc/82/64/33/594826433.db2.gz WWQGNKPHXRFXKS-LLVKDONJSA-N 1 0 332.853 1.868 20 10 EDCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840941266 594830516 /nfs/dbraw/zinc/83/05/16/594830516.db2.gz VDTUMEDMXPYIDY-VQIMIIECSA-N 1 0 336.476 1.907 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NCC(=O)OC)c1 ZINC000841892778 594975274 /nfs/dbraw/zinc/97/52/74/594975274.db2.gz VYNHTECKNORZIA-AWEZNQCLSA-N 1 0 336.388 1.045 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000842152256 595023943 /nfs/dbraw/zinc/02/39/43/595023943.db2.gz FNVVSPHVWPTPLD-HNNXBMFYSA-N 1 0 334.464 1.167 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000842153732 595024767 /nfs/dbraw/zinc/02/47/67/595024767.db2.gz PQSXFNSLUVMMOX-INIZCTEOSA-N 1 0 332.448 1.017 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000842203090 595037035 /nfs/dbraw/zinc/03/70/35/595037035.db2.gz OMKPBVYROWBFQC-IPYPFGDCSA-N 1 0 332.448 1.187 20 10 EDCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203688 595037464 /nfs/dbraw/zinc/03/74/64/595037464.db2.gz WETWELRQAZNSGR-YOEHRIQHSA-N 1 0 348.491 1.762 20 10 EDCDRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203692 595037739 /nfs/dbraw/zinc/03/77/39/595037739.db2.gz WHAMVDBBMWLFNG-KBPBESRZSA-N 1 0 332.448 1.046 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000842207186 595038868 /nfs/dbraw/zinc/03/88/68/595038868.db2.gz MPVVEAKDIPEOLH-RHSMWYFYSA-N 1 0 346.475 1.345 20 10 EDCDRO C[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000842223844 595043937 /nfs/dbraw/zinc/04/39/37/595043937.db2.gz FWBUNOYXRIFIRS-UHFFFAOYSA-N 1 0 346.475 1.361 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000842227224 595044892 /nfs/dbraw/zinc/04/48/92/595044892.db2.gz SSMGFFHACZTEEQ-UHFFFAOYSA-N 1 0 347.459 1.909 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842230200 595046081 /nfs/dbraw/zinc/04/60/81/595046081.db2.gz WDZCVVIMUGPUFW-MRXNPFEDSA-N 1 0 347.459 1.779 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000842262611 595058711 /nfs/dbraw/zinc/05/87/11/595058711.db2.gz HMTXBYWDZDTIJD-UHFFFAOYSA-N 1 0 335.448 1.765 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000842264915 595059814 /nfs/dbraw/zinc/05/98/14/595059814.db2.gz FMMJPORTWZGIDJ-ZBFHGGJFSA-N 1 0 347.459 1.635 20 10 EDCDRO CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1C[NH2+]C1 ZINC000843385158 595095722 /nfs/dbraw/zinc/09/57/22/595095722.db2.gz BBAYLSTZEFHSDA-UHFFFAOYSA-N 1 0 349.390 1.304 20 10 EDCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)C[NH3+] ZINC000843484701 595126082 /nfs/dbraw/zinc/12/60/82/595126082.db2.gz LEAGBQCQKRABCO-CQSZACIVSA-N 1 0 341.411 1.557 20 10 EDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[NH2+]CC1CC1 ZINC000843489949 595127865 /nfs/dbraw/zinc/12/78/65/595127865.db2.gz UGANODURRBWAGC-UHFFFAOYSA-N 1 0 340.807 1.547 20 10 EDCDRO [NH3+]CC1(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000846137651 595154479 /nfs/dbraw/zinc/15/44/79/595154479.db2.gz DXBPGVZOAOXEAV-UHFFFAOYSA-N 1 0 332.448 1.451 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000846186915 595167878 /nfs/dbraw/zinc/16/78/78/595167878.db2.gz HLTMVPVBQKAKEE-IUODEOHRSA-N 1 0 338.473 1.956 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2ccccc2)cc1 ZINC000842784817 595197670 /nfs/dbraw/zinc/19/76/70/595197670.db2.gz AZFFBENTMIZFNF-KRWDZBQOSA-N 1 0 333.457 1.872 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000846441628 595233125 /nfs/dbraw/zinc/23/31/25/595233125.db2.gz BEOPRAAQMRBFEA-INIZCTEOSA-N 1 0 349.475 1.558 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000835026168 595246524 /nfs/dbraw/zinc/24/65/24/595246524.db2.gz RDTSMNQAIVMYRP-PLNGDYQASA-N 1 0 337.489 1.779 20 10 EDCDRO CN(C)C(=O)CC[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835028616 595247490 /nfs/dbraw/zinc/24/74/90/595247490.db2.gz NFZUDWSHWMIJIZ-WAYWQWQTSA-N 1 0 344.503 1.862 20 10 EDCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000835029778 595248464 /nfs/dbraw/zinc/24/84/64/595248464.db2.gz SFHWNXRZRJZJNZ-WMHVBEDNSA-N 1 0 337.489 1.766 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]CCOCCS(C)(=O)=O)cc1 ZINC000835038457 595251838 /nfs/dbraw/zinc/25/18/38/595251838.db2.gz AQAMYUZONKLJGP-SNAWJCMRSA-N 1 0 326.462 1.417 20 10 EDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C(=O)[O-] ZINC000843041606 595271531 /nfs/dbraw/zinc/27/15/31/595271531.db2.gz UICQBYSTYSKPTL-CRAIPNDOSA-N 1 0 331.460 1.981 20 10 EDCDRO Cn1cc(N2CCC[C@@H](N3CCCc4cc(C[NH3+])ccc43)C2=O)cn1 ZINC000844218527 595305041 /nfs/dbraw/zinc/30/50/41/595305041.db2.gz BSHWJCAPVBGIKR-GOSISDBHSA-N 1 0 339.443 1.827 20 10 EDCDRO O=C(NCCCC[NH+]1CCOCC1)NCc1cc(Cl)ccc1O ZINC000844880632 595407052 /nfs/dbraw/zinc/40/70/52/595407052.db2.gz ANXLSPGYNWSHCJ-UHFFFAOYSA-N 1 0 341.839 1.957 20 10 EDCDRO COCC[N@H+](C)CCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844888929 595408359 /nfs/dbraw/zinc/40/83/59/595408359.db2.gz ZUASPXBNBJUTGP-UHFFFAOYSA-N 1 0 329.828 1.813 20 10 EDCDRO CCc1cccc(C[NH+]2CCN(CC(=O)N[C@@H](C)CC)CC2)c1O ZINC000848882043 595462543 /nfs/dbraw/zinc/46/25/43/595462543.db2.gz XJUJSPWUWNEUEI-HNNXBMFYSA-N 1 0 333.476 1.987 20 10 EDCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000852866995 595586724 /nfs/dbraw/zinc/58/67/24/595586724.db2.gz OYBMVRSBEIRDLS-MSOLQXFVSA-N 1 0 331.460 1.903 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)CO[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000852900653 595605000 /nfs/dbraw/zinc/60/50/00/595605000.db2.gz OOSYFYWKSCUUKH-RHSMWYFYSA-N 1 0 333.432 1.159 20 10 EDCDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(O)c1O ZINC000855402008 595694387 /nfs/dbraw/zinc/69/43/87/595694387.db2.gz COSBYBDKHRPFKJ-HNNXBMFYSA-N 1 0 342.395 1.594 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850363569 595819053 /nfs/dbraw/zinc/81/90/53/595819053.db2.gz AEMBOKYRCHCQKI-UHFFFAOYSA-N 1 0 341.351 1.858 20 10 EDCDRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000858540748 595822156 /nfs/dbraw/zinc/82/21/56/595822156.db2.gz ABUFYERMEFHXQN-JTQLQIEISA-N 1 0 328.796 1.766 20 10 EDCDRO COC[C@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC[NH2+]C1 ZINC000851639114 595864244 /nfs/dbraw/zinc/86/42/44/595864244.db2.gz BHGLVOSQVPLCOL-KSSFIOAISA-N 1 0 333.432 1.016 20 10 EDCDRO C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1ccc(N2CCOCC2)cc1 ZINC000851654542 595869600 /nfs/dbraw/zinc/86/96/00/595869600.db2.gz DRJJLDPBADTLRJ-TZGCNFNXSA-N 1 0 344.459 1.717 20 10 EDCDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000851690236 595886685 /nfs/dbraw/zinc/88/66/85/595886685.db2.gz CFJDEBFNJVDKHW-MRXNPFEDSA-N 1 0 334.464 1.201 20 10 EDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CC1(O)CCC1 ZINC000859060255 595965725 /nfs/dbraw/zinc/96/57/25/595965725.db2.gz PPPKMFQBXFJILL-SFHVURJKSA-N 1 0 334.460 1.621 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000852186761 596076689 /nfs/dbraw/zinc/07/66/89/596076689.db2.gz HZEYBYGOOIJLJS-GJZGRUSLSA-N 1 0 332.448 1.667 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H]3COC[C@@H]3C1)cc2=O ZINC000852669495 596224637 /nfs/dbraw/zinc/22/46/37/596224637.db2.gz STIIXLBRZREIIC-NEPJUHHUSA-N 1 0 346.387 1.080 20 10 EDCDRO COCCN(Cc1c(O)cccc1Br)[C@H](C)C(N)=O ZINC000862239770 596284844 /nfs/dbraw/zinc/28/48/44/596284844.db2.gz DEJKQIZHVMNXDU-SECBINFHSA-N 1 0 331.210 1.477 20 10 EDCDRO Nc1ccc(OCc2cn(CCC[NH+]3CCSCC3)nn2)cc1 ZINC000864627963 596289424 /nfs/dbraw/zinc/28/94/24/596289424.db2.gz WNFAXNDGPDQZKW-UHFFFAOYSA-N 1 0 333.461 1.878 20 10 EDCDRO COCCOCCN(CCO)Cc1c(O)cccc1Br ZINC000862468308 596333936 /nfs/dbraw/zinc/33/39/36/596333936.db2.gz GSNIMZBCCHOHHN-UHFFFAOYSA-N 1 0 348.237 1.612 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c1 ZINC000862758444 596405613 /nfs/dbraw/zinc/40/56/13/596405613.db2.gz ZKDHYXYCEMLZJK-UHFFFAOYSA-N 1 0 340.427 1.777 20 10 EDCDRO COc1cnc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000870932934 596410674 /nfs/dbraw/zinc/41/06/74/596410674.db2.gz LYMDHDCBFPFZEU-OAHLLOKOSA-N 1 0 332.379 1.725 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(OC)c1 ZINC000870163784 596782357 /nfs/dbraw/zinc/78/23/57/596782357.db2.gz GFPQGIZJWBFXSJ-CQSZACIVSA-N 1 0 333.432 1.304 20 10 EDCDRO C[N@@H+]1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC[C@@H]21 ZINC000866205418 596827100 /nfs/dbraw/zinc/82/71/00/596827100.db2.gz LODBYCNPMYKYQV-PWSUYJOCSA-N 1 0 332.360 1.456 20 10 EDCDRO O=C1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCN1 ZINC000873021598 597162716 /nfs/dbraw/zinc/16/27/16/597162716.db2.gz NDMPVHKLMHKTRX-CQSZACIVSA-N 1 0 335.423 1.545 20 10 EDCDRO COCCn1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000876506610 597224422 /nfs/dbraw/zinc/22/44/22/597224422.db2.gz MJUMOKZNCMYNLO-KRWDZBQOSA-N 1 0 345.447 1.334 20 10 EDCDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876596473 597255621 /nfs/dbraw/zinc/25/56/21/597255621.db2.gz RCGQUAYGZDDSLX-LJQANCHMSA-N 1 0 343.471 1.891 20 10 EDCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000876732271 597311134 /nfs/dbraw/zinc/31/11/34/597311134.db2.gz YSWHAOYSLJUJMN-SJLPKXTDSA-N 1 0 349.500 1.623 20 10 EDCDRO [NH3+]C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000876731863 597311362 /nfs/dbraw/zinc/31/13/62/597311362.db2.gz VHHBXXVIBVKVPZ-ZIAGYGMSSA-N 1 0 341.427 1.696 20 10 EDCDRO C[N@@H+]1CCn2nc(NCc3ccc(N4CCC(O)CC4)cc3)cc2C1 ZINC000883199911 597683344 /nfs/dbraw/zinc/68/33/44/597683344.db2.gz TYBGUNWETJTOMV-UHFFFAOYSA-N 1 0 341.459 1.902 20 10 EDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)C[C@](C)(O)C2CC2)cc1 ZINC000878805987 597718066 /nfs/dbraw/zinc/71/80/66/597718066.db2.gz VVHCKTPOCUSDMZ-HKUYNNGSSA-N 1 0 336.476 1.975 20 10 EDCDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000883379133 597728598 /nfs/dbraw/zinc/72/85/98/597728598.db2.gz OQJCHKFPMJSXPN-HDJSIYSDSA-N 1 0 342.436 1.328 20 10 EDCDRO Cc1c(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cnn1C ZINC000881853284 597755797 /nfs/dbraw/zinc/75/57/97/597755797.db2.gz PMYWFVHDKIVZDE-UHFFFAOYSA-N 1 0 341.459 1.339 20 10 EDCDRO CO[C@](C)(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000881853297 597755937 /nfs/dbraw/zinc/75/59/37/597755937.db2.gz QERMDFFTPHSKHE-IBGZPJMESA-N 1 0 331.460 1.870 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)cc2)CC1 ZINC000881853354 597756146 /nfs/dbraw/zinc/75/61/46/597756146.db2.gz SOVLJVOBVAXHJP-JQHSSLGASA-N 1 0 341.455 1.670 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)cc2)CC1 ZINC000881853353 597756183 /nfs/dbraw/zinc/75/61/83/597756183.db2.gz SOVLJVOBVAXHJP-CGTJXYLNSA-N 1 0 341.455 1.670 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnn(CCF)c3)cc2)CC1 ZINC000881853370 597756203 /nfs/dbraw/zinc/75/62/03/597756203.db2.gz UADYIYLUEUKWGT-UHFFFAOYSA-N 1 0 345.422 1.534 20 10 EDCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000883461102 597757180 /nfs/dbraw/zinc/75/71/80/597757180.db2.gz NSDZSGNBUHPQRZ-RDJZCZTQSA-N 1 0 346.475 1.663 20 10 EDCDRO Cc1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccn1 ZINC000879071940 597809927 /nfs/dbraw/zinc/80/99/27/597809927.db2.gz YPEICNIINRNSJL-UHFFFAOYSA-N 1 0 339.443 1.885 20 10 EDCDRO Cc1nocc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883799504 597906731 /nfs/dbraw/zinc/90/67/31/597906731.db2.gz HXXMJUOCJHLJKU-UHFFFAOYSA-N 1 0 343.431 1.734 20 10 EDCDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000880430586 597931597 /nfs/dbraw/zinc/93/15/97/597931597.db2.gz NWUXTWXWWPCRBF-DLBZAZTESA-N 1 0 335.448 1.105 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCc3nncn3CC2)cc1 ZINC000884011324 597967799 /nfs/dbraw/zinc/96/77/99/597967799.db2.gz ZQEAKHNPURKGCL-GOEBONIOSA-N 1 0 342.447 1.113 20 10 EDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])CCOC ZINC000884168785 598013158 /nfs/dbraw/zinc/01/31/58/598013158.db2.gz NPPKBZYLBIKXMX-LBPRGKRZSA-N 1 0 345.237 1.867 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC(C)(C)C)cc2)CC1 ZINC000882664341 598016039 /nfs/dbraw/zinc/01/60/39/598016039.db2.gz UUHVOSNSNPXYGQ-UHFFFAOYSA-N 1 0 339.505 1.904 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)Cn2cc(CC[NH+](C)C)nn2)cc1 ZINC000881084637 598070167 /nfs/dbraw/zinc/07/01/67/598070167.db2.gz XRWGNULLNJXXHF-UHFFFAOYSA-N 1 0 344.463 1.107 20 10 EDCDRO COC(=O)c1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000882879759 598093716 /nfs/dbraw/zinc/09/37/16/598093716.db2.gz LEUYRTOWVLCMAB-UHFFFAOYSA-N 1 0 341.415 1.627 20 10 EDCDRO COCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC000882880153 598093924 /nfs/dbraw/zinc/09/39/24/598093924.db2.gz DMXIAIZCCFOBHF-UHFFFAOYSA-N 1 0 327.432 1.987 20 10 EDCDRO CC[NH+]1CCN(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000915217396 695764883 /nfs/dbraw/zinc/76/48/83/695764883.db2.gz RWIUCKPJADCXRN-UHFFFAOYSA-N 1 0 344.503 1.881 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cn[nH]n3)CC2(C)C)cc1C ZINC000995989617 702364309 /nfs/dbraw/zinc/36/43/09/702364309.db2.gz QUAQJDHCQGAUEJ-INIZCTEOSA-N 1 0 343.431 1.762 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@@H]1CCC[C@@H]1O)cc2=O ZINC000270064663 249382378 /nfs/dbraw/zinc/38/23/78/249382378.db2.gz HGJZRWASWJOBHI-FZMZJTMJSA-N 1 0 348.403 1.204 20 10 EDCDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C1 ZINC000374804731 250272871 /nfs/dbraw/zinc/27/28/71/250272871.db2.gz DBSGVDMPSAXXLB-BIENSFFJSA-N 1 0 345.443 1.349 20 10 EDCDRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(O)c1O ZINC000179508593 442469363 /nfs/dbraw/zinc/46/93/63/442469363.db2.gz GIGDXOBYMMEKLC-CYBMUJFWSA-N 1 0 334.416 1.637 20 10 EDCDRO CCN1CC[NH+](CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180776937 442658746 /nfs/dbraw/zinc/65/87/46/442658746.db2.gz DKLRMPVTZNOUDM-SOFGYWHQSA-N 1 0 347.459 1.645 20 10 EDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265954151 442982909 /nfs/dbraw/zinc/98/29/09/442982909.db2.gz VESRENYUFSZWOQ-QGZVFWFLSA-N 1 0 344.459 1.583 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000237121844 443159183 /nfs/dbraw/zinc/15/91/83/443159183.db2.gz NTRQAGLLIAJSNT-UHFFFAOYSA-N 1 0 328.420 1.199 20 10 EDCDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000269264625 443258206 /nfs/dbraw/zinc/25/82/06/443258206.db2.gz YMNDMNZTVGATDV-KBPBESRZSA-N 1 0 335.423 1.530 20 10 EDCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000273788260 443585791 /nfs/dbraw/zinc/58/57/91/443585791.db2.gz UVWOCXSCGPXGHX-UHFFFAOYSA-N 1 0 339.779 1.228 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH+](C3CCC3)CC2)cc1 ZINC000265165303 443556031 /nfs/dbraw/zinc/55/60/31/443556031.db2.gz WZXRDNLWTCGOIL-UHFFFAOYSA-N 1 0 330.476 1.539 20 10 EDCDRO COc1ccc(O)c(CNc2cccc(CN3CCNC(=O)C3)c2)c1 ZINC000291122251 443750408 /nfs/dbraw/zinc/75/04/08/443750408.db2.gz UZYSRLIKCNPJRM-UHFFFAOYSA-N 1 0 341.411 1.945 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000284429945 443775115 /nfs/dbraw/zinc/77/51/15/443775115.db2.gz VUJKVLAQPUIBSK-DLBZAZTESA-N 1 0 344.459 1.112 20 10 EDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285045344 443834930 /nfs/dbraw/zinc/83/49/30/443834930.db2.gz NLRTZRRXFXLNBA-UHFFFAOYSA-N 1 0 346.475 1.312 20 10 EDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292871223 443865029 /nfs/dbraw/zinc/86/50/29/443865029.db2.gz WMYFVAKWBGMNIT-CYBMUJFWSA-N 1 0 328.434 1.257 20 10 EDCDRO COC1CCN(c2ccc(CN3CC[NH+](C[C@@H](C)O)CC3)cc2)CC1 ZINC000295818640 444193278 /nfs/dbraw/zinc/19/32/78/444193278.db2.gz UYNUPBBSSQGNHL-QGZVFWFLSA-N 1 0 347.503 1.800 20 10 EDCDRO COCCN(Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000290430108 444279763 /nfs/dbraw/zinc/27/97/63/444279763.db2.gz LFXVICRZPHICNZ-AWEZNQCLSA-N 1 0 344.452 1.527 20 10 EDCDRO O=C(c1cnccn1)N1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000360660013 445720075 /nfs/dbraw/zinc/72/00/75/445720075.db2.gz ANVMZQGVWQDMNR-UHFFFAOYSA-N 1 0 330.363 1.716 20 10 EDCDRO Cc1cccc(C[N@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1O ZINC000369512589 446127034 /nfs/dbraw/zinc/12/70/34/446127034.db2.gz XHWZOGDHVKMFQD-HNNXBMFYSA-N 1 0 327.432 1.779 20 10 EDCDRO C[N@@H+]1CC[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@H]21 ZINC000375047230 446540590 /nfs/dbraw/zinc/54/05/90/446540590.db2.gz CIJCHHPFIJJLSK-IINYFYTJSA-N 1 0 332.360 1.456 20 10 EDCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)nn1 ZINC000372034805 446982895 /nfs/dbraw/zinc/98/28/95/446982895.db2.gz YGLSOBPQPGCCNQ-AWEZNQCLSA-N 1 0 330.388 1.916 20 10 EDCDRO NS(=O)(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000369045550 447285210 /nfs/dbraw/zinc/28/52/10/447285210.db2.gz JMANJTBMUZJZSP-UHFFFAOYSA-N 1 0 349.250 1.408 20 10 EDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1C ZINC000527751510 448351033 /nfs/dbraw/zinc/35/10/33/448351033.db2.gz COUXRVBILCMCNM-IBGZPJMESA-N 1 0 334.460 1.714 20 10 EDCDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2O)C1 ZINC000174854102 527830704 /nfs/dbraw/zinc/83/07/04/527830704.db2.gz KRVWJYIBLBZKCF-OAHLLOKOSA-N 1 0 334.416 1.626 20 10 EDCDRO CN(C)c1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000728593232 578549282 /nfs/dbraw/zinc/54/92/82/578549282.db2.gz BVHRREYZFFTMGE-QZTJIDSGSA-N 1 0 346.475 1.493 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000741753763 578767735 /nfs/dbraw/zinc/76/77/35/578767735.db2.gz AJNTVVPHUOREPS-HNNXBMFYSA-N 1 0 325.478 1.656 20 10 EDCDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000749923679 579744120 /nfs/dbraw/zinc/74/41/20/579744120.db2.gz XKCGVFMAPAOEFD-QGZVFWFLSA-N 1 0 326.412 1.539 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3C[C@@H](C)[C@H](C)C3)CC2)cc1 ZINC000754048477 579894771 /nfs/dbraw/zinc/89/47/71/579894771.db2.gz GDCHFDVNUMHVLI-LMMKCTJWSA-N 1 0 347.503 1.766 20 10 EDCDRO CC[C@H]1CC[N@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000754051894 579894939 /nfs/dbraw/zinc/89/49/39/579894939.db2.gz RWJURUAHVNCZLC-PKOBYXMFSA-N 1 0 347.503 1.910 20 10 EDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000754052177 579894966 /nfs/dbraw/zinc/89/49/66/579894966.db2.gz XMBYASDSPZRZIY-LMMKCTJWSA-N 1 0 347.503 1.908 20 10 EDCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756547992 579952130 /nfs/dbraw/zinc/95/21/30/579952130.db2.gz IMXFLAZYPDXVKL-NEPJUHHUSA-N 1 0 341.402 1.908 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000763010432 580089598 /nfs/dbraw/zinc/08/95/98/580089598.db2.gz CMJRYTXQBGUGAH-SFHVURJKSA-N 1 0 334.464 1.399 20 10 EDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nn2cnnc2)C1 ZINC000768178404 580208332 /nfs/dbraw/zinc/20/83/32/580208332.db2.gz RJONAWVDCXSLLN-UHFFFAOYSA-N 1 0 338.415 1.770 20 10 EDCDRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cc(F)ccc1O ZINC000768536364 580215638 /nfs/dbraw/zinc/21/56/38/580215638.db2.gz VWGFEHKGEMGSRG-UHFFFAOYSA-N 1 0 328.384 1.850 20 10 EDCDRO CCOc1ccc(C[N@H+](C)CCN2CCCS2(=O)=O)c(O)c1 ZINC000769559766 580240059 /nfs/dbraw/zinc/24/00/59/580240059.db2.gz YDFOEIHZUQKOAH-UHFFFAOYSA-N 1 0 328.434 1.258 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](C)[C@H](C)[C@H]1C)cc2=O ZINC000771457787 580287214 /nfs/dbraw/zinc/28/72/14/580287214.db2.gz CNAWMLIOQXMFBN-VXGBXAGGSA-N 1 0 347.419 1.136 20 10 EDCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773823069 580347082 /nfs/dbraw/zinc/34/70/82/580347082.db2.gz USXDMCJJXARIOS-INIZCTEOSA-N 1 0 325.478 1.656 20 10 EDCDRO COCC[C@]1([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000773956414 580350211 /nfs/dbraw/zinc/35/02/11/580350211.db2.gz WKIDRIXMWUPIPB-IBGZPJMESA-N 1 0 349.475 1.496 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775371935 580389472 /nfs/dbraw/zinc/38/94/72/580389472.db2.gz VTRTYKKULYNRGX-MRVPVSSYSA-N 1 0 349.309 1.440 20 10 EDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000776867699 580430246 /nfs/dbraw/zinc/43/02/46/580430246.db2.gz DZPUZZNFJFGSMZ-SRCQZFHVSA-N 1 0 325.405 1.872 20 10 EDCDRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000779543618 580488663 /nfs/dbraw/zinc/48/86/63/580488663.db2.gz HSFRLZQASVZNRC-LJQANCHMSA-N 1 0 344.459 1.922 20 10 EDCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000789521903 580748535 /nfs/dbraw/zinc/74/85/35/580748535.db2.gz UVDJHVKCFOPFSF-CZUORRHYSA-N 1 0 334.416 1.699 20 10 EDCDRO COC/C=C/C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000791299983 580788865 /nfs/dbraw/zinc/78/88/65/580788865.db2.gz GKLLTLZNMMLRHU-HWKANZROSA-N 1 0 347.459 1.526 20 10 EDCDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793564616 580847910 /nfs/dbraw/zinc/84/79/10/580847910.db2.gz AZFVEPQCJIBRJI-MRXNPFEDSA-N 1 0 338.473 1.737 20 10 EDCDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000796514052 580955437 /nfs/dbraw/zinc/95/54/37/580955437.db2.gz UUTBZYADRSKSFY-LBPRGKRZSA-N 1 0 342.417 1.025 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C=O)cn2)[NH+](C)C)cc1 ZINC000891241383 591012808 /nfs/dbraw/zinc/01/28/08/591012808.db2.gz AFOOOYNTUFJQNN-GOSISDBHSA-N 1 0 340.427 1.993 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cncnc2)[NH+](C)C)cc1 ZINC000891247480 591017623 /nfs/dbraw/zinc/01/76/23/591017623.db2.gz HQFKKSFXDMRGGQ-KRWDZBQOSA-N 1 0 327.432 1.504 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc[n+]([O-])cc2)[NH+](C)C)cc1 ZINC000891257116 591022479 /nfs/dbraw/zinc/02/24/79/591022479.db2.gz CPENLPCNKGTFEX-QGZVFWFLSA-N 1 0 328.416 1.419 20 10 EDCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccccc2)c(O)c1OC ZINC000892703733 591138791 /nfs/dbraw/zinc/13/87/91/591138791.db2.gz NWHLAHULWFANJR-UHFFFAOYSA-N 1 0 330.384 1.929 20 10 EDCDRO COC(=O)/C=C/c1ccc(N2CC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895008893 591526122 /nfs/dbraw/zinc/52/61/22/591526122.db2.gz HPBYRKUASMDNLN-QQOXCAACSA-N 1 0 349.387 1.284 20 10 EDCDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101803 591682572 /nfs/dbraw/zinc/68/25/72/591682572.db2.gz MNSLFANLTONRDB-SJORKVTESA-N 1 0 336.480 1.816 20 10 EDCDRO C[C@@H](O)CCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103866 591683692 /nfs/dbraw/zinc/68/36/92/591683692.db2.gz OHUAVHDWACFRDL-RHSMWYFYSA-N 1 0 336.480 1.768 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000899103354 591683807 /nfs/dbraw/zinc/68/38/07/591683807.db2.gz ZXYRGVDRVQPOFS-DLBZAZTESA-N 1 0 334.464 1.786 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898152547 591804471 /nfs/dbraw/zinc/80/44/71/591804471.db2.gz KMHSTTBFMLEPCP-NEPJUHHUSA-N 1 0 330.388 1.826 20 10 EDCDRO C[NH+](C)CCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900007416 591865206 /nfs/dbraw/zinc/86/52/06/591865206.db2.gz NBQLJPMRTQPCNZ-UHFFFAOYSA-N 1 0 349.456 1.632 20 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593182421 /nfs/dbraw/zinc/18/24/21/593182421.db2.gz SRFZXCWCFPLHSZ-ZBFHGGJFSA-N 1 0 347.459 1.730 20 10 EDCDRO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000807671628 593189192 /nfs/dbraw/zinc/18/91/92/593189192.db2.gz RALMOWAJOMVCLR-OAHLLOKOSA-N 1 0 348.491 1.776 20 10 EDCDRO COCCCNC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839540529 593337452 /nfs/dbraw/zinc/33/74/52/593337452.db2.gz AUWAJZLEPIHOLL-OAHLLOKOSA-N 1 0 335.448 1.327 20 10 EDCDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000814908396 593606832 /nfs/dbraw/zinc/60/68/32/593606832.db2.gz ALUCUKSCIYPFNY-QGZVFWFLSA-N 1 0 346.387 1.848 20 10 EDCDRO Cn1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000815126588 593616805 /nfs/dbraw/zinc/61/68/05/593616805.db2.gz OHBCMZBNUDMRLT-AWEZNQCLSA-N 1 0 335.839 1.928 20 10 EDCDRO C[NH2+]CCN(C)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000817916380 593648178 /nfs/dbraw/zinc/64/81/78/593648178.db2.gz XNUGMPHCBQLIDL-UHFFFAOYSA-N 1 0 347.459 1.731 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000817989355 593654014 /nfs/dbraw/zinc/65/40/14/593654014.db2.gz ICHFGAAXYLESAN-OAHLLOKOSA-N 1 0 346.475 1.312 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817995832 593654879 /nfs/dbraw/zinc/65/48/79/593654879.db2.gz BBEBPPJCMRZIQQ-UHFFFAOYSA-N 1 0 344.459 1.066 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)c3ccnc(C[NH3+])c3)C2)cc1 ZINC000818613110 593707971 /nfs/dbraw/zinc/70/79/71/593707971.db2.gz FNBYVIUJSHGAEK-CQSZACIVSA-N 1 0 340.427 1.805 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000818655029 593710466 /nfs/dbraw/zinc/71/04/66/593710466.db2.gz HRPOQBSFBFQKBL-CABCVRRESA-N 1 0 332.448 1.525 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000818655599 593710584 /nfs/dbraw/zinc/71/05/84/593710584.db2.gz MEBRSWBCRVFBSJ-GJZGRUSLSA-N 1 0 332.448 1.573 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000818982386 593732220 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O=C(c1c(F)ccc(O)c1O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000825432979 594184087 /nfs/dbraw/zinc/18/40/87/594184087.db2.gz VTAKWQHBCMQBQA-GFCCVEGCSA-N 1 0 338.379 1.564 20 10 EDCDRO COc1ccc(N2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)cc1 ZINC000825727335 594232468 /nfs/dbraw/zinc/23/24/68/594232468.db2.gz CPIMGHKKWLAZAB-UHFFFAOYSA-N 1 0 347.459 1.630 20 10 EDCDRO CC(C)NC(=O)NCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000828147487 594351485 /nfs/dbraw/zinc/35/14/85/594351485.db2.gz CVRVZIWUPXJJBF-HNNXBMFYSA-N 1 0 334.464 1.881 20 10 EDCDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000830707483 594461027 /nfs/dbraw/zinc/46/10/27/594461027.db2.gz FTKZBKLNVGIWQB-SJLPKXTDSA-N 1 0 333.476 1.804 20 10 EDCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000830991431 594533365 /nfs/dbraw/zinc/53/33/65/594533365.db2.gz WMYMEONMYQRXBH-CVEARBPZSA-N 1 0 333.432 1.300 20 10 EDCDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]2N1 ZINC000827141570 594646875 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/nfs/dbraw/zinc/85/60/05/594856005.db2.gz VNIMYESOKDSCQC-UHFFFAOYSA-N 1 0 332.448 1.932 20 10 EDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC1CC[NH2+]CC1 ZINC000841706826 594940853 /nfs/dbraw/zinc/94/08/53/594940853.db2.gz LLLVZJYQFQGGSW-UHFFFAOYSA-N 1 0 334.489 1.791 20 10 EDCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000841709970 594941250 /nfs/dbraw/zinc/94/12/50/594941250.db2.gz QRSHQXSJFYSNEL-QGZVFWFLSA-N 1 0 332.448 1.465 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000841718349 594942735 /nfs/dbraw/zinc/94/27/35/594942735.db2.gz RXNUISUAINVMEL-KRWDZBQOSA-N 1 0 334.464 1.792 20 10 EDCDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000841718436 594942752 /nfs/dbraw/zinc/94/27/52/594942752.db2.gz RNZVSAXJZPWMEB-RWMBFGLXSA-N 1 0 338.427 1.586 20 10 EDCDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000841741650 594946177 /nfs/dbraw/zinc/94/61/77/594946177.db2.gz OWRVTQCEIAHXSA-HZPDHXFCSA-N 1 0 346.475 1.883 20 10 EDCDRO CN1CCCc2cc(CNC(=O)NCCCN3CC[NH2+]CC3)ccc21 ZINC000841760686 594948272 /nfs/dbraw/zinc/94/82/72/594948272.db2.gz XZGLPGJVVFJVPO-UHFFFAOYSA-N 1 0 345.491 1.164 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000841778712 594950724 /nfs/dbraw/zinc/95/07/24/594950724.db2.gz DOCXMJQTIHKTSC-UHFFFAOYSA-N 1 0 332.448 1.715 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000841920267 594981976 /nfs/dbraw/zinc/98/19/76/594981976.db2.gz SRWVTVRHNYLMDZ-UHFFFAOYSA-N 1 0 348.491 1.999 20 10 EDCDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCc3ccc(N)cc3)CC2)C1 ZINC000841954112 594988957 /nfs/dbraw/zinc/98/89/57/594988957.db2.gz HYZWUINGUYCIRX-GOSISDBHSA-N 1 0 345.491 1.233 20 10 EDCDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000841989598 594996660 /nfs/dbraw/zinc/99/66/60/594996660.db2.gz ZVRPVVUPEQZNFP-SKDRFNHKSA-N 1 0 342.237 1.952 20 10 EDCDRO COC[C@@]1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCC[NH2+]1 ZINC000841997079 594998022 /nfs/dbraw/zinc/99/80/22/594998022.db2.gz MULGPCREYMFVMA-IBGZPJMESA-N 1 0 347.459 1.839 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000842152682 595024398 /nfs/dbraw/zinc/02/43/98/595024398.db2.gz HSHRHGDDVLYRSZ-AWEZNQCLSA-N 1 0 346.475 1.263 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842153557 595024605 /nfs/dbraw/zinc/02/46/05/595024605.db2.gz MZEBHCGCNRDCBB-CJNGLKHVSA-N 1 0 346.475 1.121 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000842181471 595030155 /nfs/dbraw/zinc/03/01/55/595030155.db2.gz YGRVRCXWTWYBGS-JKSUJKDBSA-N 1 0 348.491 1.658 20 10 EDCDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000842203085 595036854 /nfs/dbraw/zinc/03/68/54/595036854.db2.gz OLLHYVCNUVBRQP-KGLIPLIRSA-N 1 0 346.475 1.516 20 10 EDCDRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000842203114 595037201 /nfs/dbraw/zinc/03/72/01/595037201.db2.gz OXVATUJOAQWPBJ-AWEZNQCLSA-N 1 0 346.475 1.388 20 10 EDCDRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842236372 595048450 /nfs/dbraw/zinc/04/84/50/595048450.db2.gz OBFCGXZUMNXFRM-UHFFFAOYSA-N 1 0 346.475 1.118 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000842264672 595059880 /nfs/dbraw/zinc/05/98/80/595059880.db2.gz BKNBZRFKBXXPLT-UKRRQHHQSA-N 1 0 333.432 1.245 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000842266633 595060247 /nfs/dbraw/zinc/06/02/47/595060247.db2.gz WIJPHUDQVKHSIP-UKRRQHHQSA-N 1 0 333.432 1.245 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC(=O)NC2CCCC2)cc1 ZINC000843296615 595065579 /nfs/dbraw/zinc/06/55/79/595065579.db2.gz BLPVLMHZZWCLRJ-KRWDZBQOSA-N 1 0 346.475 1.708 20 10 EDCDRO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349663 595082703 /nfs/dbraw/zinc/08/27/03/595082703.db2.gz HXHIDHFLCGBDEA-GFCCVEGCSA-N 1 0 332.448 1.911 20 10 EDCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nnnn1CC1CCOCC1 ZINC000843349984 595083170 /nfs/dbraw/zinc/08/31/70/595083170.db2.gz HBNMHBKJFGQEPQ-UHFFFAOYSA-N 1 0 342.447 1.511 20 10 EDCDRO Nc1ccc(CCNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000846173011 595164851 /nfs/dbraw/zinc/16/48/51/595164851.db2.gz PGRMRBMMYLFQQM-SZMVWBNQSA-N 1 0 346.475 1.739 20 10 EDCDRO CC[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000834872187 595236116 /nfs/dbraw/zinc/23/61/16/595236116.db2.gz XBZIVYSCZUUQLM-TZMCWYRMSA-N 1 0 333.837 1.636 20 10 EDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000835041670 595252414 /nfs/dbraw/zinc/25/24/14/595252414.db2.gz ZFGHNRBMJCNIIT-XDXAGZTOSA-N 1 0 339.443 1.894 20 10 EDCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000843063368 595277952 /nfs/dbraw/zinc/27/79/52/595277952.db2.gz ABDHNHMPXMQJDY-UABKOXTMSA-N 1 0 342.487 1.662 20 10 EDCDRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000844171806 595290945 /nfs/dbraw/zinc/29/09/45/595290945.db2.gz XTBQBOSSDLIUFS-QGZVFWFLSA-N 1 0 331.460 1.918 20 10 EDCDRO COc1cccc(O)c1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000843118391 595291296 /nfs/dbraw/zinc/29/12/96/595291296.db2.gz HYNRFOSBSCSQRE-UHFFFAOYSA-N 1 0 343.431 1.475 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000844225792 595309659 /nfs/dbraw/zinc/30/96/59/595309659.db2.gz UZVSXFXDUCLFAT-RTBURBONSA-N 1 0 344.503 1.975 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848407118 595374530 /nfs/dbraw/zinc/37/45/30/595374530.db2.gz MHNRHSWVUCZQCO-QUCCMNQESA-N 1 0 343.471 1.871 20 10 EDCDRO COc1ccc(N2CCC(N3C(=O)N[C@@H](CCF)C3=O)CC2)cc1 ZINC000844714510 595381317 /nfs/dbraw/zinc/38/13/17/595381317.db2.gz OVPZRIQTGLAZOH-HNNXBMFYSA-N 1 0 335.379 1.944 20 10 EDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848548993 595404694 /nfs/dbraw/zinc/40/46/94/595404694.db2.gz NBFSUVMPKFCWMP-WPRPVWTQSA-N 1 0 334.210 1.821 20 10 EDCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)c1O ZINC000848895315 595464402 /nfs/dbraw/zinc/46/44/02/595464402.db2.gz MCLGCXIDGWFACX-UHFFFAOYSA-N 1 0 326.462 1.764 20 10 EDCDRO COc1ccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000849112405 595483886 /nfs/dbraw/zinc/48/38/86/595483886.db2.gz MOILJNQZAVMTLS-UHFFFAOYSA-N 1 0 338.408 1.539 20 10 EDCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](Cc3ccccc3)C(N)=O)C2)cc1 ZINC000849321715 595506121 /nfs/dbraw/zinc/50/61/21/595506121.db2.gz KTWRRMHEGJLMSP-APWZRJJASA-N 1 0 339.439 1.960 20 10 EDCDRO CC12CC(C1)C[N@@H+]2CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852785221 595541511 /nfs/dbraw/zinc/54/15/11/595541511.db2.gz CNSDGZSHWAVNNL-UHFFFAOYSA-N 1 0 347.434 1.763 20 10 EDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852789402 595543439 /nfs/dbraw/zinc/54/34/39/595543439.db2.gz DLVSLBOVUDDICB-QZTJIDSGSA-N 1 0 331.460 1.999 20 10 EDCDRO COCc1cncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852791591 595544908 /nfs/dbraw/zinc/54/49/08/595544908.db2.gz KAKMCIAWVXICOO-QGZVFWFLSA-N 1 0 328.416 1.724 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852862219 595582695 /nfs/dbraw/zinc/58/26/95/595582695.db2.gz WTAIPLCQIHYHNZ-IRXDYDNUSA-N 1 0 333.432 1.098 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000852918028 595614162 /nfs/dbraw/zinc/61/41/62/595614162.db2.gz SHGXQXFMZSRUHT-UHFFFAOYSA-N 1 0 335.448 1.717 20 10 EDCDRO Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853336251 595738422 /nfs/dbraw/zinc/73/84/22/595738422.db2.gz TVELMJSDJKSICS-AWEZNQCLSA-N 1 0 330.432 1.446 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000858277346 595750543 /nfs/dbraw/zinc/75/05/43/595750543.db2.gz FXRJEZFBHPQUHK-HNNXBMFYSA-N 1 0 334.464 1.383 20 10 EDCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000850135936 595750801 /nfs/dbraw/zinc/75/08/01/595750801.db2.gz SKPOQPYPISMCBB-RDJZCZTQSA-N 1 0 338.473 1.579 20 10 EDCDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858599285 595838353 /nfs/dbraw/zinc/83/83/53/595838353.db2.gz MHNCHTNADZURCA-HOCLYGCPSA-N 1 0 337.439 1.380 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000851660974 595873023 /nfs/dbraw/zinc/87/30/23/595873023.db2.gz CBCDNFMNYYRWKV-GJZGRUSLSA-N 1 0 332.448 1.715 20 10 EDCDRO C[NH+](C)CCC[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000856430166 595988760 /nfs/dbraw/zinc/98/87/60/595988760.db2.gz SGSMEIHYIJNCHV-VFADXPBXSA-N 1 0 334.416 1.680 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)cc1F ZINC000859161274 595992273 /nfs/dbraw/zinc/99/22/73/595992273.db2.gz MHYNHPUMAJXWKA-HNNXBMFYSA-N 1 0 338.423 1.622 20 10 EDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)C2)cc1 ZINC000861648615 596057126 /nfs/dbraw/zinc/05/71/26/596057126.db2.gz YJVMINXFGNXPKM-BZUAXINKSA-N 1 0 346.475 1.961 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861765899 596094571 /nfs/dbraw/zinc/09/45/71/596094571.db2.gz ANDHXZYXNIOAAJ-VBNZEHGJSA-N 1 0 332.448 1.187 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857086506 596154564 /nfs/dbraw/zinc/15/45/64/596154564.db2.gz LERJRQZUSSMEON-LPHOPBHVSA-N 1 0 330.476 1.524 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000857102702 596158447 /nfs/dbraw/zinc/15/84/47/596158447.db2.gz KRLSLSXJHGGMKB-ZUEVXXBESA-N 1 0 344.459 1.270 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000852633649 596214365 /nfs/dbraw/zinc/21/43/65/596214365.db2.gz CBBBTONLDCKCNB-HOTGVXAUSA-N 1 0 329.444 1.686 20 10 EDCDRO Cc1cc(O)c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1Cl ZINC000862464644 596333759 /nfs/dbraw/zinc/33/37/59/596333759.db2.gz FDYJVTUHIVZINL-AWEZNQCLSA-N 1 0 325.840 1.783 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000863562244 596619952 /nfs/dbraw/zinc/61/99/52/596619952.db2.gz HZGFVJSARDJJCY-KDURUIRLSA-N 1 0 330.476 1.300 20 10 EDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000863941802 596722499 /nfs/dbraw/zinc/72/24/99/596722499.db2.gz MHVMKSUWWHJTJZ-IBGZPJMESA-N 1 0 344.503 1.880 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228535 596736075 /nfs/dbraw/zinc/73/60/75/596736075.db2.gz IECRDUAJUPLUHN-JKSUJKDBSA-N 1 0 339.395 1.804 20 10 EDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1Cn1cccn1 ZINC000873072163 597180769 /nfs/dbraw/zinc/18/07/69/597180769.db2.gz UXVGYJYYLVILFC-MRXNPFEDSA-N 1 0 328.416 1.650 20 10 EDCDRO CCON(CC)C(=O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873142471 597209844 /nfs/dbraw/zinc/20/98/44/597209844.db2.gz SIIRRGGHPSWIHK-UHFFFAOYSA-N 1 0 346.431 1.830 20 10 EDCDRO COc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000873149758 597213040 /nfs/dbraw/zinc/21/30/40/597213040.db2.gz WCGALPUVRGVQFE-QGZVFWFLSA-N 1 0 330.432 1.096 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ccc(C(F)F)n2)cc1 ZINC000876507122 597224319 /nfs/dbraw/zinc/22/43/19/597224319.db2.gz VZGLDBKSQCPZCZ-CYBMUJFWSA-N 1 0 337.374 1.703 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cncc3ncn(C)c32)cc1 ZINC000876507057 597224769 /nfs/dbraw/zinc/22/47/69/597224769.db2.gz USCVBZRYIKNTJN-OAHLLOKOSA-N 1 0 338.415 1.464 20 10 EDCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000876732269 597311099 /nfs/dbraw/zinc/31/10/99/597311099.db2.gz YSWHAOYSLJUJMN-FUHWJXTLSA-N 1 0 349.500 1.623 20 10 EDCDRO CN1CCCc2cc(CNC(=O)C3([S@@](C)=O)CC[NH2+]CC3)ccc21 ZINC000876739046 597315959 /nfs/dbraw/zinc/31/59/59/597315959.db2.gz DDHJIJYRNAKIOA-XMMPIXPASA-N 1 0 349.500 1.186 20 10 EDCDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000876743697 597318340 /nfs/dbraw/zinc/31/83/40/597318340.db2.gz KTXHBWRHVXHRBZ-UHFFFAOYSA-N 1 0 343.471 1.750 20 10 EDCDRO COc1ccc(N2CCC(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876750669 597321442 /nfs/dbraw/zinc/32/14/42/597321442.db2.gz XURNONKIIWFFMD-GUYCJALGSA-N 1 0 335.423 1.728 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)c2c(C[NH3+])cnn2C)cc1 ZINC000876949481 597394064 /nfs/dbraw/zinc/39/40/64/597394064.db2.gz RYSJGIIDBUSEPX-UHFFFAOYSA-N 1 0 331.420 1.096 20 10 EDCDRO Cc1cc(C(=O)NC[C@@H]2COCC[NH2+]2)c(C)n1-c1ccc(F)cc1 ZINC000877041629 597420156 /nfs/dbraw/zinc/42/01/56/597420156.db2.gz HZATZZFKUYZBSE-OAHLLOKOSA-N 1 0 331.391 1.951 20 10 EDCDRO CC[C@@H]1COCCN1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883203674 597684339 /nfs/dbraw/zinc/68/43/39/597684339.db2.gz JDLBOOGEIZODFA-GOSISDBHSA-N 1 0 347.503 1.848 20 10 EDCDRO C[C@H]([NH2+]CCN(C)CCOCCO)c1cc2c(cc1O)CCCC2 ZINC000883350971 597722457 /nfs/dbraw/zinc/72/24/57/597722457.db2.gz USMQPZJFLCFTNF-HNNXBMFYSA-N 1 0 336.476 1.862 20 10 EDCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000131768762 597739864 /nfs/dbraw/zinc/73/98/64/597739864.db2.gz CWAFBSSXPXWCOV-NSHDSACASA-N 1 0 334.235 1.822 20 10 EDCDRO CC[C@H](CCO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883445635 597749765 /nfs/dbraw/zinc/74/97/65/597749765.db2.gz HABAHHVHIMKAGX-MRXNPFEDSA-N 1 0 334.464 1.399 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC34CCOCC4)cc2)CC1 ZINC000881850959 597753662 /nfs/dbraw/zinc/75/36/62/597753662.db2.gz MDODVNIMMQWREC-SFHVURJKSA-N 1 0 343.471 1.871 20 10 EDCDRO COCCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881850804 597753750 /nfs/dbraw/zinc/75/37/50/597753750.db2.gz GNBBULFRNNMOGZ-UHFFFAOYSA-N 1 0 331.460 1.871 20 10 EDCDRO Cn1nccc1CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852105 597754523 /nfs/dbraw/zinc/75/45/23/597754523.db2.gz HPXUKDNELSUEON-UHFFFAOYSA-N 1 0 341.459 1.421 20 10 EDCDRO CCC(=O)C1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881853107 597755258 /nfs/dbraw/zinc/75/52/58/597755258.db2.gz JJAFCHMBPZOGHV-UHFFFAOYSA-N 1 0 329.444 1.814 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCCOC3)cc2)CC1 ZINC000881854161 597756452 /nfs/dbraw/zinc/75/64/52/597756452.db2.gz VFSXFXSRSIGFCG-QGZVFWFLSA-N 1 0 331.460 1.871 20 10 EDCDRO Cc1cncn1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855019 597757455 /nfs/dbraw/zinc/75/74/55/597757455.db2.gz OFACRLUJTXSEIJ-UHFFFAOYSA-N 1 0 327.432 1.260 20 10 EDCDRO COc1ccc(N2CC[NH+](CCC(=O)N(C)OC)CC2)c(OC)c1 ZINC000879461336 597923363 /nfs/dbraw/zinc/92/33/63/597923363.db2.gz ASLXYHFLDXTVIE-UHFFFAOYSA-N 1 0 337.420 1.236 20 10 EDCDRO Cc1cnc2c(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cnn2c1 ZINC000884011096 597967916 /nfs/dbraw/zinc/96/79/16/597967916.db2.gz TXLMMXQYJMNPPG-INIZCTEOSA-N 1 0 338.415 1.534 20 10 EDCDRO CCCN(C)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664634 598015811 /nfs/dbraw/zinc/01/58/11/598015811.db2.gz YZGJUZKXGIGRMR-UHFFFAOYSA-N 1 0 340.493 1.115 20 10 EDCDRO COc1ccc(N2CCN(C(=O)COC3CC[NH2+]CC3)CC2)cc1 ZINC000324883167 700340646 /nfs/dbraw/zinc/34/06/46/700340646.db2.gz DVVNUCFTVCDNHW-UHFFFAOYSA-N 1 0 333.432 1.112 20 10 EDCDRO C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004243419 704077008 /nfs/dbraw/zinc/07/70/08/704077008.db2.gz RLNBWSHUIPYLCS-LLVKDONJSA-N 1 0 333.392 1.424 20 10 EDCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cn(C)nn3)C2)cc1C ZINC000998721785 706153062 /nfs/dbraw/zinc/15/30/62/706153062.db2.gz MBLKKPVXEIZNKW-UHFFFAOYSA-N 1 0 343.431 1.525 20 10 EDCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C(N)=O)cc1C ZINC001004927267 707670539 /nfs/dbraw/zinc/67/05/39/707670539.db2.gz NVNOKEOEQOHLMP-HIFRSBDPSA-N 1 0 333.432 1.348 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2cccn2)cc1C ZINC001034859652 711252043 /nfs/dbraw/zinc/25/20/43/711252043.db2.gz JXWIEFNQTCBEQQ-QGZVFWFLSA-N 1 0 342.443 1.981 20 10 EDCDRO COc1cccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000091963938 237013378 /nfs/dbraw/zinc/01/33/78/237013378.db2.gz JUNJSQVEJUGVQF-UHFFFAOYSA-N 1 0 328.434 1.257 20 10 EDCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1C ZINC000135462025 237249304 /nfs/dbraw/zinc/24/93/04/237249304.db2.gz LGWSTMIOTLUDMB-OAHLLOKOSA-N 1 0 326.462 1.911 20 10 EDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2F)C[C@@H](C)O1 ZINC000269231694 249378235 /nfs/dbraw/zinc/37/82/35/249378235.db2.gz CXJWUTNNPIQLSL-NFAWXSAZSA-N 1 0 335.423 1.665 20 10 EDCDRO C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc(Cl)ccc1O ZINC000370375652 250205979 /nfs/dbraw/zinc/20/59/79/250205979.db2.gz WOEDVFWSJDIZMP-SNVBAGLBSA-N 1 0 336.827 1.889 20 10 EDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1O ZINC000377716278 250291504 /nfs/dbraw/zinc/29/15/04/250291504.db2.gz BNUWMOWCTSRYHS-CPUCHLNUSA-N 1 0 334.416 1.707 20 10 EDCDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000378206156 250298369 /nfs/dbraw/zinc/29/83/69/250298369.db2.gz PDTIGDSWYNFDJK-OLMNPRSZSA-N 1 0 331.460 1.817 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000285377525 276802473 /nfs/dbraw/zinc/80/24/73/276802473.db2.gz COEDNBPBKTUROD-RDJZCZTQSA-N 1 0 339.505 1.950 20 10 EDCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1O ZINC000092074453 441771527 /nfs/dbraw/zinc/77/15/27/441771527.db2.gz YXHUIWLHNOBGBM-UHFFFAOYSA-N 1 0 344.415 1.529 20 10 EDCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159446253 441813269 /nfs/dbraw/zinc/81/32/69/441813269.db2.gz PLHGXTRNCFWBAM-OAHLLOKOSA-N 1 0 326.462 1.994 20 10 EDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCO[C@H]3C)CC2)cc1 ZINC000119920878 441976371 /nfs/dbraw/zinc/97/63/71/441976371.db2.gz KOMRNMJZQBTMLL-QFBILLFUSA-N 1 0 333.476 1.974 20 10 EDCDRO CC(=O)c1cc(F)cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1O ZINC000079498211 442055618 /nfs/dbraw/zinc/05/56/18/442055618.db2.gz KGNOJMLWOFUBQQ-AWEZNQCLSA-N 1 0 336.407 1.888 20 10 EDCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488802 442209074 /nfs/dbraw/zinc/20/90/74/442209074.db2.gz MTHLNPDGZNQVMR-JTQLQIEISA-N 1 0 331.338 1.505 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cc1 ZINC000165752219 442210746 /nfs/dbraw/zinc/21/07/46/442210746.db2.gz RVPPAOPWKSMBMQ-INIZCTEOSA-N 1 0 337.489 1.814 20 10 EDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)cc1 ZINC000178668861 442454214 /nfs/dbraw/zinc/45/42/14/442454214.db2.gz PIISNVLSWXDEGV-INIZCTEOSA-N 1 0 332.492 1.957 20 10 EDCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)c(O)c1 ZINC000181562114 442703880 /nfs/dbraw/zinc/70/38/80/442703880.db2.gz DFXAFQBOEXZJDM-HNNXBMFYSA-N 1 0 342.461 1.695 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCOCC1CC1)cc2=O ZINC000268065168 442834782 /nfs/dbraw/zinc/83/47/82/442834782.db2.gz AMKPSTNEHNPOEE-UHFFFAOYSA-N 1 0 348.403 1.470 20 10 EDCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265954150 442983283 /nfs/dbraw/zinc/98/32/83/442983283.db2.gz VESRENYUFSZWOQ-KRWDZBQOSA-N 1 0 344.459 1.583 20 10 EDCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000269309473 443276491 /nfs/dbraw/zinc/27/64/91/443276491.db2.gz VZGQQFFQYJKHNR-HOTGVXAUSA-N 1 0 346.475 1.061 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000269498668 443326711 /nfs/dbraw/zinc/32/67/11/443326711.db2.gz PXSNHKYFFYWDGF-CYBMUJFWSA-N 1 0 342.461 1.552 20 10 EDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCOCC3)[C@H]1O)OCO2 ZINC000282843844 443448289 /nfs/dbraw/zinc/44/82/89/443448289.db2.gz OZDUOVJQHWXDRV-PXAZEXFGSA-N 1 0 335.400 1.778 20 10 EDCDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278837879 443456507 /nfs/dbraw/zinc/45/65/07/443456507.db2.gz JJMOUTCKEOERKD-ZDUSSCGKSA-N 1 0 340.376 1.936 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000271182289 443495390 /nfs/dbraw/zinc/49/53/90/443495390.db2.gz MNAZDAPMKIUIBV-GFCCVEGCSA-N 1 0 328.434 1.291 20 10 EDCDRO COC(=O)c1cn(C2CC[NH+](Cc3cccc(OC)c3O)CC2)nn1 ZINC000273761663 443585989 /nfs/dbraw/zinc/58/59/89/443585989.db2.gz PCPFIOSYZLAIJC-UHFFFAOYSA-N 1 0 346.387 1.616 20 10 EDCDRO COc1cccc(C[NH+]2CCN(c3cncc4ncnn43)CC2)c1O ZINC000275617047 443634553 /nfs/dbraw/zinc/63/45/53/443634553.db2.gz JCDPEEPNUUYVDT-UHFFFAOYSA-N 1 0 340.387 1.161 20 10 EDCDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283535144 443656090 /nfs/dbraw/zinc/65/60/90/443656090.db2.gz POHKPWQASCSZKP-WMLDXEAASA-N 1 0 344.459 1.064 20 10 EDCDRO COc1cccc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1O ZINC000284644602 443783279 /nfs/dbraw/zinc/78/32/79/443783279.db2.gz WGTRPYKOURBXBY-WMLDXEAASA-N 1 0 334.416 1.503 20 10 EDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000287577237 443747800 /nfs/dbraw/zinc/74/78/00/443747800.db2.gz LESOELFSVXZHHR-HNNXBMFYSA-N 1 0 348.491 1.645 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1OC ZINC000284284023 443771474 /nfs/dbraw/zinc/77/14/74/443771474.db2.gz ATHTUWDNLDYQLJ-WBMJQRKESA-N 1 0 327.421 1.657 20 10 EDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294049954 444100066 /nfs/dbraw/zinc/10/00/66/444100066.db2.gz JHPGEPBIMVLZIG-ROUUACIJSA-N 1 0 336.476 1.907 20 10 EDCDRO COCCOC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294956564 444161530 /nfs/dbraw/zinc/16/15/30/444161530.db2.gz MZYUFZIBODNZSO-SJORKVTESA-N 1 0 339.432 1.397 20 10 EDCDRO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)n1 ZINC000296703766 444249222 /nfs/dbraw/zinc/24/92/22/444249222.db2.gz HUKRJJVEYRKCPG-ZIAGYGMSSA-N 1 0 326.400 1.898 20 10 EDCDRO COCCC[N@H+](CCOC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298091117 444412072 /nfs/dbraw/zinc/41/20/72/444412072.db2.gz KRMVZTYTCDTSJN-UHFFFAOYSA-N 1 0 337.464 1.354 20 10 EDCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(c3nnnn3C)CC2)c1 ZINC000363486509 445826570 /nfs/dbraw/zinc/82/65/70/445826570.db2.gz DQODDMJANRAUIZ-UHFFFAOYSA-N 1 0 332.408 1.073 20 10 EDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(N)=O)C2)c1 ZINC000364795021 445956381 /nfs/dbraw/zinc/95/63/81/445956381.db2.gz UASDETWCKPCHMR-NSHDSACASA-N 1 0 330.388 1.602 20 10 EDCDRO O=C1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCCCN12 ZINC000374582397 446378267 /nfs/dbraw/zinc/37/82/67/446378267.db2.gz DDJLHHKIRPZFBL-MSOLQXFVSA-N 1 0 329.444 1.766 20 10 EDCDRO O=C1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2(CCC2)N1 ZINC000374644484 446382395 /nfs/dbraw/zinc/38/23/95/446382395.db2.gz WGFCAGBWUQDUJU-QGZVFWFLSA-N 1 0 329.444 1.814 20 10 EDCDRO COc1cc(O)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000367221045 446525152 /nfs/dbraw/zinc/52/51/52/446525152.db2.gz BVUYTRGAPDKWLR-INIZCTEOSA-N 1 0 349.475 1.621 20 10 EDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(C2)NC(=O)NC3=O)cc1F ZINC000367467099 446551030 /nfs/dbraw/zinc/55/10/30/446551030.db2.gz IFGMHLQLTRCPKK-QGZVFWFLSA-N 1 0 334.395 1.456 20 10 EDCDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000371083965 446618370 /nfs/dbraw/zinc/61/83/70/446618370.db2.gz FJMAWXZVPNGIMT-YVEFUNNKSA-N 1 0 333.388 1.211 20 10 EDCDRO CC(C)[N@@H+]1CCc2nc(C=C3C(=O)N(C)C(=O)N(C)C3=O)sc2C1 ZINC000367819070 446593237 /nfs/dbraw/zinc/59/32/37/446593237.db2.gz KVLPLLDTQKJPRH-UHFFFAOYSA-N 1 0 348.428 1.343 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCOC[C@@H](C)C1)cc2=O ZINC000371105224 446631498 /nfs/dbraw/zinc/63/14/98/446631498.db2.gz ARWDSXFFSRIUNS-NSHDSACASA-N 1 0 334.376 1.080 20 10 EDCDRO Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c(O)c1O ZINC000371665605 446945756 /nfs/dbraw/zinc/94/57/56/446945756.db2.gz NSCXGJBOWMYOBW-HNNXBMFYSA-N 1 0 347.459 1.506 20 10 EDCDRO CCNC(=O)NC(=O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000375876887 447117224 /nfs/dbraw/zinc/11/72/24/447117224.db2.gz RDPNAKYGXRNWGQ-UHFFFAOYSA-N 1 0 348.447 1.442 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1 ZINC000372500340 447091905 /nfs/dbraw/zinc/09/19/05/447091905.db2.gz BRMCEKWVTOVZKV-AWEZNQCLSA-N 1 0 347.459 1.700 20 10 EDCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(F)ccc1O ZINC000375846803 447095553 /nfs/dbraw/zinc/09/55/53/447095553.db2.gz KELMHHJJDAZOJO-DINDLPBHSA-N 1 0 335.379 1.902 20 10 EDCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])c21 ZINC000592533913 448885817 /nfs/dbraw/zinc/88/58/17/448885817.db2.gz OMCSGWPOCDRIGJ-LLVKDONJSA-N 1 0 341.371 1.830 20 10 EDCDRO CC[C@@H](C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)[NH+](C)C ZINC000298520932 521809522 /nfs/dbraw/zinc/80/95/22/521809522.db2.gz IHHMJIFCYONUFI-ZDUSSCGKSA-N 1 0 342.823 1.887 20 10 EDCDRO Cc1cc(C[NH2+]C[C@H](O)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC000743759911 579490102 /nfs/dbraw/zinc/49/01/02/579490102.db2.gz WMEPBGXOXDWEIQ-FQEVSTJZSA-N 1 0 343.471 1.877 20 10 EDCDRO CNC(=O)COc1cccc(C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000725846813 578288684 /nfs/dbraw/zinc/28/86/84/578288684.db2.gz OWGOPPXSJSVWIO-UHFFFAOYSA-N 1 0 330.384 1.815 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000727471880 578529471 /nfs/dbraw/zinc/52/94/71/578529471.db2.gz POYUZLVDWNJGIW-IRXDYDNUSA-N 1 0 332.448 1.415 20 10 EDCDRO CN(C)c1ccc(CNC(=O)NCCNc2cc[nH+]cc2)cc1F ZINC000729604515 578584183 /nfs/dbraw/zinc/58/41/83/578584183.db2.gz BWENJXROVGQCTR-UHFFFAOYSA-N 1 0 331.395 1.620 20 10 EDCDRO C[C@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000732887452 578733923 /nfs/dbraw/zinc/73/39/23/578733923.db2.gz ZWSGMVSXWZEXAU-HNNXBMFYSA-N 1 0 346.475 1.978 20 10 EDCDRO CCOCc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1OC ZINC000735926513 578941635 /nfs/dbraw/zinc/94/16/35/578941635.db2.gz OZSWGHWMOADJHU-OAHLLOKOSA-N 1 0 327.446 1.899 20 10 EDCDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000736672984 579011421 /nfs/dbraw/zinc/01/14/21/579011421.db2.gz CGGLGJJBOXYVBR-UHFFFAOYSA-N 1 0 347.440 1.675 20 10 EDCDRO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000761230443 580052374 /nfs/dbraw/zinc/05/23/74/580052374.db2.gz ZDQGDPLTLBKIIB-KRWDZBQOSA-N 1 0 344.459 1.559 20 10 EDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)[C@H]1CCCOC1)cc2=O ZINC000754561339 579906456 /nfs/dbraw/zinc/90/64/56/579906456.db2.gz DSIZBGRFNAXPAP-RYUDHWBXSA-N 1 0 348.403 1.516 20 10 EDCDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c(O)c1 ZINC000756632298 579953952 /nfs/dbraw/zinc/95/39/52/579953952.db2.gz BJEIJABOJLEUFL-GFCCVEGCSA-N 1 0 339.417 1.459 20 10 EDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000756836606 579957956 /nfs/dbraw/zinc/95/79/56/579957956.db2.gz CEFJAXYUOIMGTL-MQIPJXDCSA-N 1 0 344.415 1.979 20 10 EDCDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768439898 580212683 /nfs/dbraw/zinc/21/26/83/580212683.db2.gz OUDFGSJTDVLDGW-QGZVFWFLSA-N 1 0 348.443 1.897 20 10 EDCDRO CC(C)CNC(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440879 580212769 /nfs/dbraw/zinc/21/27/69/580212769.db2.gz HEYFZZWHLSSKMU-QGZVFWFLSA-N 1 0 348.443 1.802 20 10 EDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000773843799 580347567 /nfs/dbraw/zinc/34/75/67/580347567.db2.gz FSTNRKZJYCEMDE-MRXNPFEDSA-N 1 0 343.431 1.968 20 10 EDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1CCO ZINC000779214733 580481214 /nfs/dbraw/zinc/48/12/14/580481214.db2.gz UFWIWYADHSAPJU-OAHLLOKOSA-N 1 0 337.439 1.161 20 10 EDCDRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c1O ZINC000780991756 580539657 /nfs/dbraw/zinc/53/96/57/580539657.db2.gz MKZGPDIWMBIQSX-AEGPPILISA-N 1 0 334.416 1.730 20 10 EDCDRO C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000782990685 580590579 /nfs/dbraw/zinc/59/05/79/580590579.db2.gz LOFAUJYEUDYSMH-HNNXBMFYSA-N 1 0 334.464 1.835 20 10 EDCDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccc(O)c1O ZINC000794589295 580899028 /nfs/dbraw/zinc/89/90/28/580899028.db2.gz XZEOVVBWOSGWSL-CQSZACIVSA-N 1 0 328.368 1.917 20 10 EDCDRO COc1cc(C)cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000795669372 580933544 /nfs/dbraw/zinc/93/35/44/580933544.db2.gz FUVIBSKTNJTVEP-UHFFFAOYSA-N 1 0 342.461 1.470 20 10 EDCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000800860653 581060136 /nfs/dbraw/zinc/06/01/36/581060136.db2.gz VQKRYSCQPWJQNO-SJKOYZFVSA-N 1 0 329.400 1.931 20 10 EDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892283386 590912788 /nfs/dbraw/zinc/91/27/88/590912788.db2.gz WWKFDYFBYUHKRT-ZWKOTPCHSA-N 1 0 345.491 1.378 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCOCC2)[NH+](C)C)cc1 ZINC000891243417 591014210 /nfs/dbraw/zinc/01/42/10/591014210.db2.gz NSQOBOCMISCGBG-QGZVFWFLSA-N 1 0 349.475 1.403 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cncn2C)[NH+](C)C)cc1 ZINC000891249636 591018957 /nfs/dbraw/zinc/01/89/57/591018957.db2.gz VHARGEIPIZUMTP-QGZVFWFLSA-N 1 0 329.448 1.448 20 10 EDCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cccn1 ZINC000891252153 591019554 /nfs/dbraw/zinc/01/95/54/591019554.db2.gz HGCIDWJNAVQWJY-YOEHRIQHSA-N 1 0 329.448 1.929 20 10 EDCDRO Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nnn1C ZINC000891252417 591020289 /nfs/dbraw/zinc/02/02/89/591020289.db2.gz KUQIHHRJCPHCHD-OAHLLOKOSA-N 1 0 330.436 1.222 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCn2cncn2)[NH+](C)C)cc1 ZINC000891256277 591022259 /nfs/dbraw/zinc/02/22/59/591022259.db2.gz WWQRZSXVHWNFAO-MRXNPFEDSA-N 1 0 330.436 1.153 20 10 EDCDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c(O)c1OC ZINC000892609868 591094031 /nfs/dbraw/zinc/09/40/31/591094031.db2.gz CJWALISQADIASY-AWEZNQCLSA-N 1 0 344.415 1.958 20 10 EDCDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000894469386 591320742 /nfs/dbraw/zinc/32/07/42/591320742.db2.gz NEKMPBREQFHGFJ-QGZVFWFLSA-N 1 0 325.405 1.892 20 10 EDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2C[NH+](C3CCOCC3)C2)c1 ZINC000896162692 591366313 /nfs/dbraw/zinc/36/63/13/591366313.db2.gz GOIRFYGNCJPKDO-GFCCVEGCSA-N 1 0 334.416 1.689 20 10 EDCDRO COc1ccc(O)c(CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)c1 ZINC000896361817 591437893 /nfs/dbraw/zinc/43/78/93/591437893.db2.gz PWXSXAXLQGPWFD-OAHLLOKOSA-N 1 0 330.388 1.821 20 10 EDCDRO CO[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899101929 591682828 /nfs/dbraw/zinc/68/28/28/591682828.db2.gz NHEMAQKSMMOXDI-IAGOWNOFSA-N 1 0 334.464 1.786 20 10 EDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2cc(OCC)ccc2O)[C@@H](CO)C1 ZINC000898359173 591889866 /nfs/dbraw/zinc/88/98/66/591889866.db2.gz MKIAJUVEXRNLPU-HIFRSBDPSA-N 1 0 338.404 1.330 20 10 EDCDRO Cc1nsc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000903044646 592113232 /nfs/dbraw/zinc/11/32/32/592113232.db2.gz CNCUKGUGRRIJGJ-CQSZACIVSA-N 1 0 333.461 1.945 20 10 EDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1O ZINC000903281294 592151499 /nfs/dbraw/zinc/15/14/99/592151499.db2.gz XLMGIZUYAVIJMP-MLGOLLRUSA-N 1 0 328.840 1.698 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H]([NH3+])CC(F)F)CC2)c(OC)c1 ZINC000903937199 592387692 /nfs/dbraw/zinc/38/76/92/592387692.db2.gz DVBHOILTORKAJU-LBPRGKRZSA-N 1 0 329.391 1.808 20 10 EDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccoc2)[NH+](C)C)cc1 ZINC000908460452 592501176 /nfs/dbraw/zinc/50/11/76/592501176.db2.gz UDPFTJGTMWETOH-MRXNPFEDSA-N 1 0 337.445 1.927 20 10 EDCDRO CCN(CC)c1ccc(CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000905335242 592509487 /nfs/dbraw/zinc/50/94/87/592509487.db2.gz ZWRFYMFNIVNITD-UHFFFAOYSA-N 1 0 339.505 1.952 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H]3C=CCC3)CC2)cc1 ZINC000905416472 592524670 /nfs/dbraw/zinc/52/46/70/592524670.db2.gz BTMOFIGZIDXWCT-HKUYNNGSSA-N 1 0 345.487 1.734 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCc3cncn3C2)cc1 ZINC000911665154 592973468 /nfs/dbraw/zinc/97/34/68/592973468.db2.gz AKGRKTKHZNIIQB-WMLDXEAASA-N 1 0 327.432 1.328 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000839502756 593311786 /nfs/dbraw/zinc/31/17/86/593311786.db2.gz KVGTVTXRGBKORQ-AEFFLSMTSA-N 1 0 331.460 1.870 20 10 EDCDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)NC(=O)NC1=O ZINC000809705744 593356468 /nfs/dbraw/zinc/35/64/68/593356468.db2.gz YQQKRUWITPQKNP-WBMJQRKESA-N 1 0 337.807 1.998 20 10 EDCDRO CON(C)C(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000812293698 593494760 /nfs/dbraw/zinc/49/47/60/593494760.db2.gz XDEBUXKDLWKMDA-HNNXBMFYSA-N 1 0 336.388 1.050 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000817275091 593587157 /nfs/dbraw/zinc/58/71/57/593587157.db2.gz VQJMPQBALAZRHP-MRXNPFEDSA-N 1 0 346.475 1.217 20 10 EDCDRO Cc1cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)ccc1N(C)C ZINC000815034026 593610902 /nfs/dbraw/zinc/61/09/02/593610902.db2.gz AYQAZRNHNVFHSL-OAHLLOKOSA-N 1 0 325.478 1.575 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000817950007 593651353 /nfs/dbraw/zinc/65/13/53/593651353.db2.gz PSWJRJKYQMRJKW-ZIAGYGMSSA-N 1 0 333.432 1.340 20 10 EDCDRO [NH3+]CCCCn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)nn1 ZINC000817997401 593654968 /nfs/dbraw/zinc/65/49/68/593654968.db2.gz OMKROAQWYZACSW-UHFFFAOYSA-N 1 0 343.431 1.531 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000818654640 593710430 /nfs/dbraw/zinc/71/04/30/593710430.db2.gz DFYZFOAQCUJTOR-CVEARBPZSA-N 1 0 346.475 1.820 20 10 EDCDRO CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818656762 593710634 /nfs/dbraw/zinc/71/06/34/593710634.db2.gz YEIWMESZIRXVGS-CABCVRRESA-N 1 0 334.464 1.819 20 10 EDCDRO C[C@@H]1CN(c2ccc(C[NH2+]CCS(C)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000818966364 593730889 /nfs/dbraw/zinc/73/08/89/593730889.db2.gz JDGVSIIZQKOFDT-CHWSQXEVSA-N 1 0 344.452 1.574 20 10 EDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000819167908 593742339 /nfs/dbraw/zinc/74/23/39/593742339.db2.gz JVBZPAKALKSAQJ-HUUCEWRRSA-N 1 0 345.399 1.020 20 10 EDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)C3CCC3)CC2)cc1 ZINC000819188838 593743452 /nfs/dbraw/zinc/74/34/52/593743452.db2.gz NVWLPNRBQSHQGX-APWZRJJASA-N 1 0 347.503 1.956 20 10 EDCDRO COC[C@@]1(CO)CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000825158726 594138358 /nfs/dbraw/zinc/13/83/58/594138358.db2.gz XKSMKHQYCVIPHS-AWEZNQCLSA-N 1 0 330.222 1.986 20 10 EDCDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000825326471 594167466 /nfs/dbraw/zinc/16/74/66/594167466.db2.gz QNTPGJPMYWWGBT-ZDUSSCGKSA-N 1 0 326.194 1.711 20 10 EDCDRO CN(C)c1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1F ZINC000827900492 594300431 /nfs/dbraw/zinc/30/04/31/594300431.db2.gz BAPLTLUVCKEOBC-OAHLLOKOSA-N 1 0 345.422 1.943 20 10 EDCDRO O=C(C[NH2+]C[C@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002582 594546663 /nfs/dbraw/zinc/54/66/63/594546663.db2.gz CCWBURCPEPYYBT-IAGOWNOFSA-N 1 0 348.443 1.668 20 10 EDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ncc[nH]1 ZINC000831560673 594683412 /nfs/dbraw/zinc/68/34/12/594683412.db2.gz DYJIYAAGLDCHHO-UHFFFAOYSA-N 1 0 339.443 1.872 20 10 EDCDRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCOCC2)cc1 ZINC000841729149 594944515 /nfs/dbraw/zinc/94/45/15/594944515.db2.gz CKDLRCXNMNCHTB-INIZCTEOSA-N 1 0 346.475 1.712 20 10 EDCDRO C[C@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000841739812 594945802 /nfs/dbraw/zinc/94/58/02/594945802.db2.gz CNOVSCNVLFRVFL-HNAYVOBHSA-N 1 0 346.475 1.965 20 10 EDCDRO C[C@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(N(C)C)cc1 ZINC000841881489 594973043 /nfs/dbraw/zinc/97/30/43/594973043.db2.gz RIRLSGHWJRIMOC-MAUKXSAKSA-N 1 0 345.491 1.503 20 10 EDCDRO COc1ccc(N2CCN(C(=O)NCC3([NH3+])CCC3)CC2)cc1F ZINC000841966525 594991228 /nfs/dbraw/zinc/99/12/28/594991228.db2.gz FDUMENIVOHTLIU-UHFFFAOYSA-N 1 0 336.411 1.547 20 10 EDCDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841999973 594998555 /nfs/dbraw/zinc/99/85/55/594998555.db2.gz QXPODQVDJLXNHR-LJIGWXMPSA-N 1 0 331.416 1.301 20 10 EDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000842150392 595024015 /nfs/dbraw/zinc/02/40/15/595024015.db2.gz QOOBMVAAHZHCCD-JKSUJKDBSA-N 1 0 344.459 1.071 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842154836 595025021 /nfs/dbraw/zinc/02/50/21/595025021.db2.gz XCWHMIIBJVAOTJ-LJQANCHMSA-N 1 0 344.459 1.032 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842201784 595036498 /nfs/dbraw/zinc/03/64/98/595036498.db2.gz CBTYMXZRWHENLR-QEJZJMRPSA-N 1 0 332.448 1.316 20 10 EDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000842203174 595037448 /nfs/dbraw/zinc/03/74/48/595037448.db2.gz QCFKPRXYLSBLKX-HEHGZKQESA-N 1 0 332.448 1.044 20 10 EDCDRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203519 595037480 /nfs/dbraw/zinc/03/74/80/595037480.db2.gz UBVPQYMGYITDCW-KBPBESRZSA-N 1 0 332.448 1.046 20 10 EDCDRO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000842203842 595037599 /nfs/dbraw/zinc/03/75/99/595037599.db2.gz XUSCDLOOEVZAMO-CKEIUWERSA-N 1 0 346.475 1.516 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000842208159 595039663 /nfs/dbraw/zinc/03/96/63/595039663.db2.gz SCSRVZAYSQJZQS-HUUCEWRRSA-N 1 0 346.475 1.358 20 10 EDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000842224016 595043589 /nfs/dbraw/zinc/04/35/89/595043589.db2.gz VUXCOYNWSQXODL-HNNXBMFYSA-N 1 0 344.459 1.112 20 10 EDCDRO C[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842223667 595043913 /nfs/dbraw/zinc/04/39/13/595043913.db2.gz BNUCPMZYMPPSOX-UHFFFAOYSA-N 1 0 347.459 1.779 20 10 EDCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842243858 595052522 /nfs/dbraw/zinc/05/25/22/595052522.db2.gz BSIDCNFEKTUMRU-ZDUSSCGKSA-N 1 0 345.399 1.225 20 10 EDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000843266285 595058095 /nfs/dbraw/zinc/05/80/95/595058095.db2.gz XTOYWSCOVIOWQQ-LSDHHAIUSA-N 1 0 348.491 1.733 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCc3ncncc3C2)cc1 ZINC000843297751 595066262 /nfs/dbraw/zinc/06/62/62/595066262.db2.gz KUBLSUCOJKQADK-WMLDXEAASA-N 1 0 339.443 1.464 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1O ZINC000846142415 595155519 /nfs/dbraw/zinc/15/55/19/595155519.db2.gz SXMDXMBOAKZJIS-LLVKDONJSA-N 1 0 330.450 1.769 20 10 EDCDRO CCN(CCC[NH2+][C@@H](C)c1cccc(OC)c1O)S(C)(=O)=O ZINC000846144385 595155545 /nfs/dbraw/zinc/15/55/45/595155545.db2.gz MAWPGGSIKZYHBG-LBPRGKRZSA-N 1 0 330.450 1.723 20 10 EDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000846173653 595164762 /nfs/dbraw/zinc/16/47/62/595164762.db2.gz UNSHBSQDLOURHY-OLZOCXBDSA-N 1 0 342.461 1.866 20 10 EDCDRO COc1cccc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1O ZINC000846175474 595165340 /nfs/dbraw/zinc/16/53/40/595165340.db2.gz ZYMGBQIXWUEHHC-NSHDSACASA-N 1 0 333.392 1.222 20 10 EDCDRO COc1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000842721957 595180457 /nfs/dbraw/zinc/18/04/57/595180457.db2.gz NCOACALKKQAIDZ-CYBMUJFWSA-N 1 0 349.408 1.725 20 10 EDCDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2cccc3nonc32)c2ccccc21 ZINC000842797943 595203013 /nfs/dbraw/zinc/20/30/13/595203013.db2.gz VLEMVRNXPKFDRC-LLVKDONJSA-N 1 0 344.396 1.864 20 10 EDCDRO COc1cc(Br)cc(CN2CCO[C@@H](C[NH3+])C2)c1O ZINC000843069540 595280163 /nfs/dbraw/zinc/28/01/63/595280163.db2.gz RGSNMLJWASMECA-NSHDSACASA-N 1 0 331.210 1.323 20 10 EDCDRO CN(C)c1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000843118359 595291093 /nfs/dbraw/zinc/29/10/93/595291093.db2.gz GOJLVXJDVCJKGX-UHFFFAOYSA-N 1 0 340.475 1.827 20 10 EDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000844173755 595291267 /nfs/dbraw/zinc/29/12/67/595291267.db2.gz UUQKKHKZQJBVCQ-DYVFJYSZSA-N 1 0 349.450 1.791 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844173742 595291465 /nfs/dbraw/zinc/29/14/65/595291465.db2.gz UMEXHLUYJMBIQN-WQVCFCJDSA-N 1 0 333.407 1.153 20 10 EDCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2c2nccn2C)cc1OC ZINC000843122711 595292545 /nfs/dbraw/zinc/29/25/45/595292545.db2.gz SWMRFMUTNJQXCN-ZDUSSCGKSA-N 1 0 332.404 1.289 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN[C@H](C[NH3+])C(C)(C)C)CC2)cc1 ZINC000844227511 595310352 /nfs/dbraw/zinc/31/03/52/595310352.db2.gz XFXZBGCHVTWIJU-QGZVFWFLSA-N 1 0 348.491 1.307 20 10 EDCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850565630 595535916 /nfs/dbraw/zinc/53/59/16/595535916.db2.gz GZTCFVWOQYEOIU-OAHLLOKOSA-N 1 0 338.473 1.315 20 10 EDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000852857541 595578624 /nfs/dbraw/zinc/57/86/24/595578624.db2.gz WTKZTLZUTYNZDU-QGZVFWFLSA-N 1 0 331.460 1.870 20 10 EDCDRO COc1ccc(N2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)cc1F ZINC000852872179 595591277 /nfs/dbraw/zinc/59/12/77/595591277.db2.gz JARGNNLQOAIIEH-MRXNPFEDSA-N 1 0 335.423 1.871 20 10 EDCDRO COc1cc(C[NH2+]CC(=O)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850239772 595784040 /nfs/dbraw/zinc/78/40/40/595784040.db2.gz VNLSWVZGEFPUDX-UHFFFAOYSA-N 1 0 336.432 1.647 20 10 EDCDRO O=S(=O)(CC[NH2+]Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000850364260 595820134 /nfs/dbraw/zinc/82/01/34/595820134.db2.gz XATGCDIGUIRBSU-UHFFFAOYSA-N 1 0 341.307 1.188 20 10 EDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000850427281 595832038 /nfs/dbraw/zinc/83/20/38/595832038.db2.gz QOBNFISFFPIBMY-OAHLLOKOSA-N 1 0 329.448 1.665 20 10 EDCDRO CCN(CC)c1ccc(C[N@H+](C)CCN2C(=O)CN(C)C2=O)cc1 ZINC000851716658 595895209 /nfs/dbraw/zinc/89/52/09/595895209.db2.gz OYWIVASFTDPTOO-UHFFFAOYSA-N 1 0 332.448 1.859 20 10 EDCDRO CCC[N@H+](Cc1ccccc1O)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851792331 595925633 /nfs/dbraw/zinc/92/56/33/595925633.db2.gz NZSUYTTZSUZKGE-IBGZPJMESA-N 1 0 328.412 1.977 20 10 EDCDRO CCOC(=O)C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000859190412 595999519 /nfs/dbraw/zinc/99/95/19/595999519.db2.gz JXULWYOIPXFTBA-JKSUJKDBSA-N 1 0 337.416 1.687 20 10 EDCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1 ZINC000861556433 596029190 /nfs/dbraw/zinc/02/91/90/596029190.db2.gz AHYUURMMJNTDFP-UHFFFAOYSA-N 1 0 332.448 1.594 20 10 EDCDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854642374 596145929 /nfs/dbraw/zinc/14/59/29/596145929.db2.gz LEOLDMROUBRLNM-IPKOWEFYSA-N 1 0 332.400 1.433 20 10 EDCDRO CCOC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862502421 596338826 /nfs/dbraw/zinc/33/88/26/596338826.db2.gz MDMKVBBJRBTJBK-IBGZPJMESA-N 1 0 333.476 1.676 20 10 EDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000862552352 596345295 /nfs/dbraw/zinc/34/52/95/596345295.db2.gz WXFYIYFGQMPTLS-GFCCVEGCSA-N 1 0 328.434 1.162 20 10 EDCDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000864984234 596435367 /nfs/dbraw/zinc/43/53/67/596435367.db2.gz JZFNISUOXPVMNP-ZWKOTPCHSA-N 1 0 331.460 1.870 20 10 EDCDRO Oc1cc2c(cc1C[NH+]1CCN(c3nccnn3)CC1)CCCC2 ZINC000863271875 596535604 /nfs/dbraw/zinc/53/56/04/596535604.db2.gz KDMACDNHRHFJIW-UHFFFAOYSA-N 1 0 325.416 1.778 20 10 EDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254420 596855354 /nfs/dbraw/zinc/85/53/54/596855354.db2.gz COPOGBCUAHNQJK-ZACQAIPSSA-N 1 0 330.432 1.120 20 10 EDCDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000866498018 596893647 /nfs/dbraw/zinc/89/36/47/596893647.db2.gz PPRALBOJNRNXSF-CSMYWGQOSA-N 1 0 340.851 1.977 20 10 EDCDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1Cc2cccc(O)c2C1 ZINC000875747425 596971724 /nfs/dbraw/zinc/97/17/24/596971724.db2.gz JOFAAQSTMICEPH-HNNXBMFYSA-N 1 0 331.416 1.671 20 10 EDCDRO COc1ccc(C[NH2+]C2(CO)CCOCC2)cc1Cn1cccn1 ZINC000873052467 597172464 /nfs/dbraw/zinc/17/24/64/597172464.db2.gz PSHCBWYOZVNTRI-UHFFFAOYSA-N 1 0 331.416 1.571 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)[C@@]2(COC)C[NH2+]CCO2)cc1 ZINC000876728319 597309116 /nfs/dbraw/zinc/30/91/16/597309116.db2.gz JCQHLTWZYSWBQH-SFHVURJKSA-N 1 0 335.448 1.154 20 10 EDCDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000876732020 597311261 /nfs/dbraw/zinc/31/12/61/597311261.db2.gz VYOSVKGPTWJYQH-CZUORRHYSA-N 1 0 335.423 1.652 20 10 EDCDRO Cc1cccc(O)c1C[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000876790463 597341333 /nfs/dbraw/zinc/34/13/33/597341333.db2.gz IHWRTZWXBDSFJS-INIZCTEOSA-N 1 0 331.460 1.829 20 10 EDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)cc1 ZINC000876949925 597394137 /nfs/dbraw/zinc/39/41/37/597394137.db2.gz YPDRUGLEBCNCFF-WMZOPIPTSA-N 1 0 335.448 1.357 20 10 EDCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)C2)cc1 ZINC000876959350 597396697 /nfs/dbraw/zinc/39/66/97/597396697.db2.gz JXHREXXYLGXLQR-BJZITVGISA-N 1 0 329.444 1.922 20 10 EDCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876977636 597403500 /nfs/dbraw/zinc/40/35/00/597403500.db2.gz ZZECREXFXIHCOQ-PKOBYXMFSA-N 1 0 347.459 1.031 20 10 EDCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3COCC[NH2+]3)c2C)cc1 ZINC000877041128 597420068 /nfs/dbraw/zinc/42/00/68/597420068.db2.gz UUJDAYLMFCZBOO-HNNXBMFYSA-N 1 0 343.427 1.821 20 10 EDCDRO COc1ccc(N2CCN(C(=O)c3coc(C[NH3+])c3)CC2)c(OC)c1 ZINC000877228125 597468393 /nfs/dbraw/zinc/46/83/93/597468393.db2.gz UIUIPKZWYKGKQJ-UHFFFAOYSA-N 1 0 345.399 1.718 20 10 EDCDRO COCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000877482960 597523300 /nfs/dbraw/zinc/52/33/00/597523300.db2.gz OOASYFXQUIJPPS-GOSISDBHSA-N 1 0 334.460 1.885 20 10 EDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(O)c1 ZINC000877517762 597529553 /nfs/dbraw/zinc/52/95/53/597529553.db2.gz PGWFJJRUCRHXPB-HIFRSBDPSA-N 1 0 326.462 1.898 20 10 EDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877617983 597541887 /nfs/dbraw/zinc/54/18/87/597541887.db2.gz BDGUMAKULCWJHI-OAHLLOKOSA-N 1 0 341.459 1.423 20 10 EDCDRO C[N@H+](CCN1CC2(C1)CCOCC2)Cc1cc2c(cc1O)OCO2 ZINC000877765370 597553832 /nfs/dbraw/zinc/55/38/32/597553832.db2.gz DNIWBRGWBCBASA-UHFFFAOYSA-N 1 0 334.416 1.665 20 10 EDCDRO Cc1nonc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883812638 597910994 /nfs/dbraw/zinc/91/09/94/597910994.db2.gz NCLRWPKBKRAIFW-UHFFFAOYSA-N 1 0 344.419 1.129 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)c(OC)c1 ZINC000879463426 597924243 /nfs/dbraw/zinc/92/42/43/597924243.db2.gz HGPUVBTZHVCKMX-OAHLLOKOSA-N 1 0 346.431 1.083 20 10 EDCDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129604084 597949140 /nfs/dbraw/zinc/94/91/40/597949140.db2.gz OJGGSNYIINFFGF-TZMCWYRMSA-N 1 0 328.840 1.835 20 10 EDCDRO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918904817 697222235 /nfs/dbraw/zinc/22/22/35/697222235.db2.gz BNQFQIXNHBHXKD-JCGIZDLHSA-N 1 0 331.460 1.726 20 10 EDCDRO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCSC1 ZINC000154858036 697224056 /nfs/dbraw/zinc/22/40/56/697224056.db2.gz OZRYLZULHQSTCH-KRWDZBQOSA-N 1 0 349.500 1.577 20 10 EDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cc[nH]c(=O)c3)cc2)C1 ZINC000921573132 703620259 /nfs/dbraw/zinc/62/02/59/703620259.db2.gz IIDXJDPMXFVBJQ-MRXNPFEDSA-N 1 0 340.427 1.779 20 10 EDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922589918 704096723 /nfs/dbraw/zinc/09/67/23/704096723.db2.gz FQVPQAWNWLJZPX-GOSISDBHSA-N 1 0 333.476 1.724 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1Cn1cccn1 ZINC000922725312 704272642 /nfs/dbraw/zinc/27/26/42/704272642.db2.gz KJIRRDWXJLXKJM-LMMKCTJWSA-N 1 0 343.427 1.834 20 10 EDCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033698961 708546675 /nfs/dbraw/zinc/54/66/75/708546675.db2.gz GWIUOKMSDXCBPD-CQSZACIVSA-N 1 0 333.392 1.378 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000125359235 529786030 /nfs/dbraw/zinc/78/60/30/529786030.db2.gz CMULZMDZBQXIJK-CQSZACIVSA-N 1 0 335.473 1.915 20 10 EDCDRO CCC[N@H+](CC)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000266962108 249354567 /nfs/dbraw/zinc/35/45/67/249354567.db2.gz XWLKMYKLKOEJHX-UHFFFAOYSA-N 1 0 343.449 1.225 20 10 EDCDRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC000272093636 249459412 /nfs/dbraw/zinc/45/94/12/249459412.db2.gz UBHUFYKQZQDTOA-WBVHZDCISA-N 1 0 337.441 1.447 20 10 EDCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000296575548 249754157 /nfs/dbraw/zinc/75/41/57/249754157.db2.gz TZIICOFGFFNZHY-CVEARBPZSA-N 1 0 326.462 1.343 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)c1O ZINC000372403610 250218762 /nfs/dbraw/zinc/21/87/62/250218762.db2.gz FCRPGXGZLWHONF-ZDUSSCGKSA-N 1 0 328.434 1.305 20 10 EDCDRO COC(=O)CN1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000374989591 250276675 /nfs/dbraw/zinc/27/66/75/250276675.db2.gz QNAPYUVMCOLYDX-UHFFFAOYSA-N 1 0 338.404 1.090 20 10 EDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375256978 250280649 /nfs/dbraw/zinc/28/06/49/250280649.db2.gz WLRVYLUYOOAEMY-AZUAARDMSA-N 1 0 343.471 1.511 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1O ZINC000374390773 250262112 /nfs/dbraw/zinc/26/21/12/250262112.db2.gz WEAICBLOQJJMHG-INIZCTEOSA-N 1 0 348.443 1.908 20 10 EDCDRO COC(=O)C1(NC(=O)C[N@H+](C)Cc2ccccc2O)CCCCC1 ZINC000111235201 533234248 /nfs/dbraw/zinc/23/42/48/533234248.db2.gz UOOJZLNBXWXKGG-UHFFFAOYSA-N 1 0 334.416 1.816 20 10 EDCDRO COc1ccc(N2CCC[N@H+](CCCN3CCOCC3)CC2)cc1 ZINC000097727541 441144204 /nfs/dbraw/zinc/14/42/04/441144204.db2.gz NCALWHOMGFKOBC-UHFFFAOYSA-N 1 0 333.476 1.930 20 10 EDCDRO C[N@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccccc1O ZINC000109769930 441506361 /nfs/dbraw/zinc/50/63/61/441506361.db2.gz VAOBRCUYQNUTFM-UHFFFAOYSA-N 1 0 333.413 1.912 20 10 EDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000076073996 441594393 /nfs/dbraw/zinc/59/43/93/441594393.db2.gz DFGVEVQWLPAQRW-AWEZNQCLSA-N 1 0 347.459 1.730 20 10 EDCDRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000177065231 442293466 /nfs/dbraw/zinc/29/34/66/442293466.db2.gz UEZMCWRFYDIZGI-UHFFFAOYSA-N 1 0 333.310 1.602 20 10 EDCDRO CCOc1cccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1O ZINC000179689667 442489845 /nfs/dbraw/zinc/48/98/45/442489845.db2.gz IGBKEQFCJTVZRO-UHFFFAOYSA-N 1 0 348.443 1.862 20 10 EDCDRO CC[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC[NH2+]1 ZINC000134574559 442496174 /nfs/dbraw/zinc/49/61/74/442496174.db2.gz JDZAGIYIQCTHBL-IBGZPJMESA-N 1 0 349.450 1.935 20 10 EDCDRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000191836736 442519903 /nfs/dbraw/zinc/51/99/03/442519903.db2.gz UZVRICCQVDMEIO-UHFFFAOYSA-N 1 0 339.388 1.587 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000182391093 442762913 /nfs/dbraw/zinc/76/29/13/442762913.db2.gz VFRCJTOCMQFQBF-ABAIWWIYSA-N 1 0 330.388 1.590 20 10 EDCDRO COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000188789545 442814461 /nfs/dbraw/zinc/81/44/61/442814461.db2.gz MVVVMANSIZUQLN-IAGOWNOFSA-N 1 0 334.416 1.022 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)CC3(CO)CC3)CC2)cc1 ZINC000190037449 443049983 /nfs/dbraw/zinc/04/99/83/443049983.db2.gz GWAUZBKIACRRMA-UHFFFAOYSA-N 1 0 347.459 1.048 20 10 EDCDRO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000263988688 443243677 /nfs/dbraw/zinc/24/36/77/443243677.db2.gz HCMXGDTXGYTAAP-QGZVFWFLSA-N 1 0 332.448 1.369 20 10 EDCDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)C[NH+]1CCN(C)CC1 ZINC000266803269 443247838 /nfs/dbraw/zinc/24/78/38/443247838.db2.gz OGIWQHDMXWIWLA-HNNXBMFYSA-N 1 0 334.464 1.417 20 10 EDCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC(N)=O ZINC000269491565 443324919 /nfs/dbraw/zinc/32/49/19/443324919.db2.gz YZDCFGRROQCOML-MRVPVSSYSA-N 1 0 344.209 1.560 20 10 EDCDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000282823404 443443281 /nfs/dbraw/zinc/44/32/81/443443281.db2.gz YTLVRRXESWEHSP-QGZVFWFLSA-N 1 0 333.476 1.676 20 10 EDCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccnn3C)CC2)cc1 ZINC000278858159 443464088 /nfs/dbraw/zinc/46/40/88/443464088.db2.gz WCDOUOMHFWSRBY-MRXNPFEDSA-N 1 0 343.475 1.902 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000279189819 443530131 /nfs/dbraw/zinc/53/01/31/443530131.db2.gz DVCPHFPSRVINLB-WMZOPIPTSA-N 1 0 333.476 1.852 20 10 EDCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000271197960 443494705 /nfs/dbraw/zinc/49/47/05/443494705.db2.gz OKRVAYFFPLCTQD-DLBZAZTESA-N 1 0 335.400 1.873 20 10 EDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000273601740 443582530 /nfs/dbraw/zinc/58/25/30/443582530.db2.gz SBIHIKNBDDNJPS-HUUCEWRRSA-N 1 0 349.475 1.713 20 10 EDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1F ZINC000275602474 443633039 /nfs/dbraw/zinc/63/30/39/443633039.db2.gz QMKQIRZDPNLTHA-CYBMUJFWSA-N 1 0 345.422 1.539 20 10 EDCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283443212 443634946 /nfs/dbraw/zinc/63/49/46/443634946.db2.gz KAEJHCUYMOMCFL-QGZVFWFLSA-N 1 0 346.475 1.312 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000283468992 443641312 /nfs/dbraw/zinc/64/13/12/443641312.db2.gz LMQMHORIJYGOJE-NVXWUHKLSA-N 1 0 346.475 1.358 20 10 EDCDRO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000279974937 443651428 /nfs/dbraw/zinc/65/14/28/443651428.db2.gz YNKGOPFOGAJUBM-RDJZCZTQSA-N 1 0 331.460 1.870 20 10 EDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292871227 443865563 /nfs/dbraw/zinc/86/55/63/443865563.db2.gz WMYFVAKWBGMNIT-ZDUSSCGKSA-N 1 0 328.434 1.257 20 10 EDCDRO OCc1cn([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000293558102 444054028 /nfs/dbraw/zinc/05/40/28/444054028.db2.gz FUDHWXSJALORLQ-CYBMUJFWSA-N 1 0 332.360 1.042 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289268533 444091794 /nfs/dbraw/zinc/09/17/94/444091794.db2.gz GCMZEYPWYGXIJY-PXAZEXFGSA-N 1 0 333.388 1.353 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364976217 445971674 /nfs/dbraw/zinc/97/16/74/445971674.db2.gz FFOWADAODLXDRR-TXTHVTMNSA-N 1 0 332.400 1.481 20 10 EDCDRO OCC1([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]2CCCO2)CCC1 ZINC000368225536 446721297 /nfs/dbraw/zinc/72/12/97/446721297.db2.gz IFFYOOXFTYKNSH-RHSMWYFYSA-N 1 0 335.400 1.921 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC000375698295 446984931 /nfs/dbraw/zinc/98/49/31/446984931.db2.gz QADBJFUCBFSUSL-UHFFFAOYSA-N 1 0 331.460 1.918 20 10 EDCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c21 ZINC000592482145 448854929 /nfs/dbraw/zinc/85/49/29/448854929.db2.gz APTQLBDBMHNCLT-GFCCVEGCSA-N 1 0 341.371 1.830 20 10 EDCDRO COc1cc(O)c(C[NH2+][C@]2(CO)COc3ccccc3C2)cc1OC ZINC000529645949 448917670 /nfs/dbraw/zinc/91/76/70/448917670.db2.gz XGFKAGFJVPGZHM-LJQANCHMSA-N 1 0 345.395 1.865 20 10 EDCDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299345605 522824568 /nfs/dbraw/zinc/82/45/68/522824568.db2.gz QPTUZOHQEHEFFH-MSOLQXFVSA-N 1 0 333.476 1.994 20 10 EDCDRO Cc1cc(C[NH2+]C[C@@H](O)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC000743759915 579490133 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c1cc(N2CCOCC2)ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000766226989 580162260 /nfs/dbraw/zinc/16/22/60/580162260.db2.gz XBESOSGWFRDPFB-UHFFFAOYSA-N 1 0 331.460 1.478 20 10 EDCDRO Cc1noc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)n1 ZINC000768441531 580212780 /nfs/dbraw/zinc/21/27/80/580212780.db2.gz ZWDYZONXGODYSK-HNNXBMFYSA-N 1 0 331.372 1.889 20 10 EDCDRO COc1cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(O)cc1C ZINC000768445723 580213142 /nfs/dbraw/zinc/21/31/42/580213142.db2.gz UBGLSAWALXGZNO-UHFFFAOYSA-N 1 0 342.461 1.565 20 10 EDCDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000771462853 580287382 /nfs/dbraw/zinc/28/73/82/580287382.db2.gz WSYKMONDBDXQLM-HOTGVXAUSA-N 1 0 332.492 1.735 20 10 EDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000775833477 580402225 /nfs/dbraw/zinc/40/22/25/580402225.db2.gz JTGJLTVUPZMPGA-KGLIPLIRSA-N 1 0 346.475 1.516 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1 ZINC000784266516 580616906 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CS(=O)(=O)NCC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000795679518 580933798 /nfs/dbraw/zinc/93/37/98/580933798.db2.gz VMMSSAPVXZAFIJ-UHFFFAOYSA-N 1 0 338.473 1.642 20 10 EDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797418372 580975236 /nfs/dbraw/zinc/97/52/36/580975236.db2.gz RZZCQGYPNKNSDE-FYMGVEODSA-N 1 0 349.427 1.976 20 10 EDCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1c(O)cccc1OC ZINC000797883685 580983072 /nfs/dbraw/zinc/98/30/72/580983072.db2.gz JZAGFASAONMUTM-UHFFFAOYSA-N 1 0 344.411 1.858 20 10 EDCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1O ZINC000800309044 581050211 /nfs/dbraw/zinc/05/02/11/581050211.db2.gz BVEPTMGIQIXFEB-JSGCOSHPSA-N 1 0 342.461 1.598 20 10 EDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCOCC3)C1)[C@@H](O)CO2 ZINC000800854635 581059850 /nfs/dbraw/zinc/05/98/50/581059850.db2.gz NTNVDYOLXZAOFA-KDOFPFPSSA-N 1 0 348.443 1.362 20 10 EDCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H]1CCC(=O)N1 ZINC000891248428 591017116 /nfs/dbraw/zinc/01/71/16/591017116.db2.gz MMZBJHUKTAULDW-RRQGHBQHSA-N 1 0 346.475 1.386 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2coc(C(N)=O)c2)[NH+](C)C)cc1 ZINC000891250025 591018481 /nfs/dbraw/zinc/01/84/81/591018481.db2.gz XYKBGMCOCMDGBJ-OAHLLOKOSA-N 1 0 344.415 1.477 20 10 EDCDRO COc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000891250562 591018856 /nfs/dbraw/zinc/01/88/56/591018856.db2.gz WYRKYXAYXNRAFV-INIZCTEOSA-N 1 0 343.431 1.584 20 10 EDCDRO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000892729014 591151711 /nfs/dbraw/zinc/15/17/11/591151711.db2.gz IICBZNSYWSMKFP-KTAKPFMOSA-N 1 0 338.473 1.749 20 10 EDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1O ZINC000895773042 591270877 /nfs/dbraw/zinc/27/08/77/591270877.db2.gz XVEPFJUKKATICV-AWEZNQCLSA-N 1 0 340.807 1.439 20 10 EDCDRO Cc1nonc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896323970 591418589 /nfs/dbraw/zinc/41/85/89/591418589.db2.gz WETZSXNIZAXTEK-MRXNPFEDSA-N 1 0 346.435 1.546 20 10 EDCDRO COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c(O)c1OC ZINC000894936820 591488113 /nfs/dbraw/zinc/48/81/13/591488113.db2.gz JWGSPPVHPIKPRF-UHFFFAOYSA-N 1 0 343.445 1.714 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC3(C2)CCCO3)[NH+](C)C)cc1 ZINC000899098023 591688465 /nfs/dbraw/zinc/68/84/65/591688465.db2.gz KNMBWRQZDLMXKY-KRWDZBQOSA-N 1 0 346.475 1.930 20 10 EDCDRO CC(C)[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100598 591689764 /nfs/dbraw/zinc/68/97/64/591689764.db2.gz AWXSDMJTNLYHLE-IRXDYDNUSA-N 1 0 336.480 1.671 20 10 EDCDRO O=C1N(CC[NH2+]Cc2cc3c(cc2O)OCO3)C[C@H]2CCCCN12 ZINC000895345123 591722880 /nfs/dbraw/zinc/72/28/80/591722880.db2.gz XTBQLQASWQYQIG-CYBMUJFWSA-N 1 0 333.388 1.501 20 10 EDCDRO CN(C)C(=O)c1c[nH]nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000902660721 592036666 /nfs/dbraw/zinc/03/66/66/592036666.db2.gz IAVMAGGKPPGUBT-UHFFFAOYSA-N 1 0 342.447 1.475 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000903046149 592113463 /nfs/dbraw/zinc/11/34/63/592113463.db2.gz PQKJKSUFGLHUBY-OAHLLOKOSA-N 1 0 335.448 1.813 20 10 EDCDRO CC(C)NS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908459829 592501128 /nfs/dbraw/zinc/50/11/28/592501128.db2.gz LUVFGFNFQADHLJ-HNNXBMFYSA-N 1 0 328.482 1.188 20 10 EDCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(F)F ZINC000905961947 592702218 /nfs/dbraw/zinc/70/22/18/592702218.db2.gz JXCABMMHHABKTA-HNNXBMFYSA-N 1 0 348.415 1.027 20 10 EDCDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(O)cc2O)cn1 ZINC000910942926 592905266 /nfs/dbraw/zinc/90/52/66/592905266.db2.gz ISNRJFONBLNMOE-CVEARBPZSA-N 1 0 344.415 1.183 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911522600 592940729 /nfs/dbraw/zinc/94/07/29/592940729.db2.gz UFKMYWQMWUXARG-MRXNPFEDSA-N 1 0 347.459 1.635 20 10 EDCDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000911229654 592970107 /nfs/dbraw/zinc/97/01/07/592970107.db2.gz KXVNDAMJTNRMKD-INIZCTEOSA-N 1 0 344.459 1.017 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000911230144 592970121 /nfs/dbraw/zinc/97/01/21/592970121.db2.gz NSFCHEFVHCHJKJ-CVEARBPZSA-N 1 0 346.475 1.393 20 10 EDCDRO Cc1ncc2n1C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000911666086 592973558 /nfs/dbraw/zinc/97/35/58/592973558.db2.gz HBOJMCCOBVDHQW-QAPCUYQASA-N 1 0 341.459 1.636 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@](C)(O)C(F)(F)F)cc1 ZINC000911667721 592974660 /nfs/dbraw/zinc/97/46/60/592974660.db2.gz RDDAMTINJPHZMG-GXTWGEPZSA-N 1 0 333.354 1.572 20 10 EDCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000807139221 593147691 /nfs/dbraw/zinc/14/76/91/593147691.db2.gz AALNIKIOIYHNNQ-JYJNAYRXSA-N 1 0 348.491 1.910 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000838479829 593177381 /nfs/dbraw/zinc/17/73/81/593177381.db2.gz UBQCCTKJQXDBMF-GOSISDBHSA-N 1 0 348.491 1.707 20 10 EDCDRO C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000807671784 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CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842154469 595024569 /nfs/dbraw/zinc/02/45/69/595024569.db2.gz UHJHEVZQZMVBFC-KRWDZBQOSA-N 1 0 346.475 1.278 20 10 EDCDRO C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000842202759 595037026 /nfs/dbraw/zinc/03/70/26/595037026.db2.gz LDFMDYNPIYRRMT-LIRRHRJNSA-N 1 0 344.459 1.142 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000842203703 595037710 /nfs/dbraw/zinc/03/77/10/595037710.db2.gz WHUODVAMRIFJEA-UKRRQHHQSA-N 1 0 332.448 1.188 20 10 EDCDRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203522 595037722 /nfs/dbraw/zinc/03/77/22/595037722.db2.gz UBVPQYMGYITDCW-ZIAGYGMSSA-N 1 0 332.448 1.046 20 10 EDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000842206729 595038943 /nfs/dbraw/zinc/03/89/43/595038943.db2.gz JXYMIMJNQUHENH-INIZCTEOSA-N 1 0 346.475 1.217 20 10 EDCDRO CC(=O)N1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297334 595066032 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COc1cccc(NCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000846663935 595295581 /nfs/dbraw/zinc/29/55/81/595295581.db2.gz SICFLGRSEZUZGY-GOSISDBHSA-N 1 0 342.443 1.989 20 10 EDCDRO COc1ccc(N2CCN(C(=O)CN3CCC(C)([NH3+])CC3)CC2)cc1 ZINC000844222423 595307006 /nfs/dbraw/zinc/30/70/06/595307006.db2.gz DPGXWAARKSOXIZ-UHFFFAOYSA-N 1 0 346.475 1.157 20 10 EDCDRO C[C@H](NC(=O)NCc1cc(Cl)ccc1O)[C@H](C)N1CCOCC1 ZINC000844955515 595419609 /nfs/dbraw/zinc/41/96/09/595419609.db2.gz WJOBFFNNRDFLSS-RYUDHWBXSA-N 1 0 341.839 1.954 20 10 EDCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844968699 595420876 /nfs/dbraw/zinc/42/08/76/595420876.db2.gz YNUWWLRSFNOKMA-CYBMUJFWSA-N 1 0 326.828 1.091 20 10 EDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)c2ccc(F)cc2F)cc1 ZINC000852792666 595544685 /nfs/dbraw/zinc/54/46/85/595544685.db2.gz ZFIKPEZXPGESOJ-SJORKVTESA-N 1 0 348.397 1.847 20 10 EDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)c2ccc(F)cc2F)cc1 ZINC000852792661 595544845 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O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663544 595874137 /nfs/dbraw/zinc/87/41/37/595874137.db2.gz BTDMVOYAMKHYQY-INIZCTEOSA-N 1 0 346.475 1.447 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000861749905 596087572 /nfs/dbraw/zinc/08/75/72/596087572.db2.gz ARWKLJZSLAWPEJ-QGZVFWFLSA-N 1 0 346.475 1.134 20 10 EDCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000861811923 596110506 /nfs/dbraw/zinc/11/05/06/596110506.db2.gz APVSOIQAQXEIMO-SUMWQHHRSA-N 1 0 344.459 1.110 20 10 EDCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[NH+]4CCC3CC4)C2)cc1 ZINC000852451604 596168529 /nfs/dbraw/zinc/16/85/29/596168529.db2.gz OCVZJKPVNDIBMQ-HNNXBMFYSA-N 1 0 344.459 1.764 20 10 EDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000852533459 596191700 /nfs/dbraw/zinc/19/17/00/596191700.db2.gz ZCONSTKOOSJPIY-APWZRJJASA-N 1 0 331.460 1.679 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857246345 596196971 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COc1cc(C)cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000872795806 597073472 /nfs/dbraw/zinc/07/34/72/597073472.db2.gz OFEFLFGZMHTGRK-GXTWGEPZSA-N 1 0 325.430 1.576 20 10 EDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873023723 597163623 /nfs/dbraw/zinc/16/36/23/597163623.db2.gz UDHZMEZMHLTQQW-UHFFFAOYSA-N 1 0 330.432 1.898 20 10 EDCDRO COc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1Cn1cccn1 ZINC000873132518 597207545 /nfs/dbraw/zinc/20/75/45/597207545.db2.gz WMFIFUWPWFVCTG-UHFFFAOYSA-N 1 0 349.456 1.607 20 10 EDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000875048531 597260309 /nfs/dbraw/zinc/26/03/09/597260309.db2.gz UCHKOWDXCKIARG-QGZVFWFLSA-N 1 0 348.491 1.772 20 10 EDCDRO COc1ccc(N2CCCN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000876733097 597311846 /nfs/dbraw/zinc/31/18/46/597311846.db2.gz OASNUJXEQPSGPN-RHSMWYFYSA-N 1 0 335.423 1.682 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3cnc(C[NH3+])nc3)C2)cc1 ZINC000876930566 597388640 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COc1ccc(N2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000877227699 597467835 /nfs/dbraw/zinc/46/78/35/597467835.db2.gz MKMCYBYUVPRVLM-CQSZACIVSA-N 1 0 333.432 1.352 20 10 EDCDRO Cn1cnc(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877604829 597540882 /nfs/dbraw/zinc/54/08/82/597540882.db2.gz HNXZNNVEYCLCJJ-UHFFFAOYSA-N 1 0 329.448 1.499 20 10 EDCDRO C[C@]1(CO)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@]1(C)CO ZINC000877656452 597545288 /nfs/dbraw/zinc/54/52/88/597545288.db2.gz JBZJXRCEWJYBNY-BGYRXZFFSA-N 1 0 348.487 1.461 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000877794169 597558054 /nfs/dbraw/zinc/55/80/54/597558054.db2.gz UDFJIXQUYWBSBO-ZIAGYGMSSA-N 1 0 325.430 1.657 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCn3ccnc3)cc2)CC1 ZINC000883068507 597638285 /nfs/dbraw/zinc/63/82/85/597638285.db2.gz XODUMXLHDCNVTF-UHFFFAOYSA-N 1 0 342.447 1.134 20 10 EDCDRO C[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccccc1O ZINC000879649028 597673896 /nfs/dbraw/zinc/67/38/96/597673896.db2.gz JLONGEGJHIIQNG-OAHLLOKOSA-N 1 0 347.459 1.952 20 10 EDCDRO CCOC(=O)NCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850276 597753695 /nfs/dbraw/zinc/75/36/95/597753695.db2.gz PJCAUIUKOLKOLE-UHFFFAOYSA-N 1 0 348.447 1.191 20 10 EDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC34CCOCC4)cc2)CC1 ZINC000881850958 597753979 /nfs/dbraw/zinc/75/39/79/597753979.db2.gz MDODVNIMMQWREC-GOSISDBHSA-N 1 0 343.471 1.871 20 10 EDCDRO C[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)n1ccnc1 ZINC000881853064 597755147 /nfs/dbraw/zinc/75/51/47/597755147.db2.gz ILCBEHCKGJYDSR-MRXNPFEDSA-N 1 0 341.459 1.902 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC(C)(C)O)CC2)c(OC)c1 ZINC000879461213 597923285 /nfs/dbraw/zinc/92/32/85/597923285.db2.gz GTVLVNWZKQTUMI-AWEZNQCLSA-N 1 0 338.448 1.348 20 10 EDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSC)CC2)c(OC)c1 ZINC000879462245 597923735 /nfs/dbraw/zinc/92/37/35/597923735.db2.gz MDIKUEBTZFSAHD-CYBMUJFWSA-N 1 0 326.462 1.550 20 10 EDCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000884194420 598022488 /nfs/dbraw/zinc/02/24/88/598022488.db2.gz IXXAXZJIVAZYGB-MKBNYLNASA-N 1 0 339.411 1.029 20 10 EDCDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000884194186 598022501 /nfs/dbraw/zinc/02/25/01/598022501.db2.gz BQIVBXMMRJKFAA-HNNXBMFYSA-N 1 0 349.450 1.649 20 10 EDCDRO CCC[C@@H]([NH3+])c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083743 598069583 /nfs/dbraw/zinc/06/95/83/598069583.db2.gz GTRKAIKZRVSFJO-MRXNPFEDSA-N 1 0 344.463 1.803 20 10 EDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000154129407 696717832 /nfs/dbraw/zinc/71/78/32/696717832.db2.gz XRIJDPPOJHHWBC-ZDUSSCGKSA-N 1 0 328.434 1.305 20 10 EDCDRO C[C@H](NC(=O)NCC1([NH+](C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000914400041 695388523 /nfs/dbraw/zinc/38/85/23/695388523.db2.gz AFWWRFQXGWORJP-HNNXBMFYSA-N 1 0 346.475 1.978 20 10 EDCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)cc1 ZINC001032810082 708111681 /nfs/dbraw/zinc/11/16/81/708111681.db2.gz RBGSOYNYQIVFPM-KBPBESRZSA-N 1 0 331.376 1.130 20 10 EDCDRO O[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922271858 710560373 /nfs/dbraw/zinc/56/03/73/710560373.db2.gz KDHXTBGBJZNWTM-ARFHVFGLSA-N 1 0 328.416 1.774 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2COCCO2)cc1C ZINC001034863425 711256533 /nfs/dbraw/zinc/25/65/33/711256533.db2.gz FRFAFHDGLHLOGY-AEFFLSMTSA-N 1 0 348.443 1.500 20 10 EDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc1C ZINC001034883926 711286965 /nfs/dbraw/zinc/28/69/65/711286965.db2.gz XJURWPJYNLHMBK-HZPDHXFCSA-N 1 0 345.443 1.363 20 10 EDCDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108814194 529969910 /nfs/dbraw/zinc/96/99/10/529969910.db2.gz FSMCDCHEVOQIHL-MOTZXUDYSA-N 1 0 343.471 1.947 20 10 EDCDRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000076901573 236965695 /nfs/dbraw/zinc/96/56/95/236965695.db2.gz SMIUJBUIXPWUDH-UHFFFAOYSA-N 1 0 338.411 1.806 20 10 EDCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000377274402 250287298 /nfs/dbraw/zinc/28/72/98/250287298.db2.gz YXOAVQOYKBAFSH-QFBILLFUSA-N 1 0 332.444 1.903 20 10 EDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416029590 251049267 /nfs/dbraw/zinc/04/92/67/251049267.db2.gz LNSUXOVNTJMYOP-ZDUSSCGKSA-N 1 0 346.353 1.941 20 10 EDCDRO CC[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000296575552 288047223 /nfs/dbraw/zinc/04/72/23/288047223.db2.gz TZIICOFGFFNZHY-HOTGVXAUSA-N 1 0 326.462 1.343 20 10 EDCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376206580 279997075 /nfs/dbraw/zinc/99/70/75/279997075.db2.gz ZUHWYTSRNDZAKO-RYUDHWBXSA-N 1 0 346.387 1.989 20 10 EDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1O ZINC000092672994 441819572 /nfs/dbraw/zinc/81/95/72/441819572.db2.gz UTFXUAZMQWBPEO-AWEZNQCLSA-N 1 0 336.457 1.941 20 10 EDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@]1(F)CC[NH2+]C1 ZINC000165418472 442209297 /nfs/dbraw/zinc/20/92/97/442209297.db2.gz WUKWGNLZNVVLJD-QGZVFWFLSA-N 1 0 339.386 1.105 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000177355598 442331264 /nfs/dbraw/zinc/33/12/64/442331264.db2.gz KNMNSQRSTOWMGU-QGZVFWFLSA-N 1 0 347.459 1.032 20 10 EDCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)CC2 ZINC000186102847 442463551 /nfs/dbraw/zinc/46/35/51/442463551.db2.gz IJBGNJKYGIQZLU-RYUDHWBXSA-N 1 0 332.404 1.804 20 10 EDCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178971190 442542252 /nfs/dbraw/zinc/54/22/52/442542252.db2.gz CMZBHSKHBLTDCU-SFHVURJKSA-N 1 0 334.464 1.399 20 10 EDCDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+]1CC(C)(C)O ZINC000188700279 442790675 /nfs/dbraw/zinc/79/06/75/442790675.db2.gz LMMIIMIZZZKPIT-VUDGCMKMSA-N 1 0 334.416 1.415 20 10 EDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188732085 442799338 /nfs/dbraw/zinc/79/93/38/442799338.db2.gz YKBIYBOIQPPHJX-DOTOQJQBSA-N 1 0 335.423 1.212 20 10 EDCDRO CC[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)[NH+](C)C ZINC000190235270 443074485 /nfs/dbraw/zinc/07/44/85/443074485.db2.gz UJXFNRRGNCGSMP-SFHVURJKSA-N 1 0 346.475 1.312 20 10 EDCDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000269252701 443252062 /nfs/dbraw/zinc/25/20/62/443252062.db2.gz QDDBGHRYLVVOAS-MRXNPFEDSA-N 1 0 337.439 1.776 20 10 EDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cocn3)CC2)cc1 ZINC000264317497 443260380 /nfs/dbraw/zinc/26/03/80/443260380.db2.gz WPDKOTQQWLOYKQ-UHFFFAOYSA-N 1 0 344.415 1.625 20 10 EDCDRO COc1c(O)c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000278392135 443317751 /nfs/dbraw/zinc/31/77/51/443317751.db2.gz NAAPZKMYCWZNNW-LBPRGKRZSA-N 1 0 335.360 1.506 20 10 EDCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269368937 443295588 /nfs/dbraw/zinc/29/55/88/443295588.db2.gz WCJXIFLWBRNKJR-AEFFLSMTSA-N 1 0 347.459 1.911 20 10 EDCDRO CN1C(=O)N[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC000271154434 443492427 /nfs/dbraw/zinc/49/24/27/443492427.db2.gz GSANHORJBFXFJG-AWEZNQCLSA-N 1 0 344.198 1.825 20 10 EDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C)C3=O)cc1 ZINC000271171512 443494061 /nfs/dbraw/zinc/49/40/61/443494061.db2.gz MBRJRKWJZADUGJ-SFHVURJKSA-N 1 0 330.432 1.659 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C(C)(C)C3)CC2)cc1 ZINC000279734193 443625705 /nfs/dbraw/zinc/62/57/05/443625705.db2.gz JWJNKEDPCMHUHL-QGZVFWFLSA-N 1 0 347.459 1.047 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000283558371 443660814 /nfs/dbraw/zinc/66/08/14/443660814.db2.gz RBXYJVOKLOHFGU-UHFFFAOYSA-N 1 0 346.475 1.313 20 10 EDCDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000286382445 443702537 /nfs/dbraw/zinc/70/25/37/443702537.db2.gz MLQOACDOPAPXIJ-KBPBESRZSA-N 1 0 334.416 1.732 20 10 EDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000280959917 443784089 /nfs/dbraw/zinc/78/40/89/443784089.db2.gz KKGIEBVKDOKLSG-NEPJUHHUSA-N 1 0 344.415 1.609 20 10 EDCDRO COc1cc(Cl)cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1O ZINC000284260523 443770767 /nfs/dbraw/zinc/77/07/67/443770767.db2.gz GGROUHXKAJXETR-VXGBXAGGSA-N 1 0 328.840 1.941 20 10 EDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c(O)c1 ZINC000280907066 443771648 /nfs/dbraw/zinc/77/16/48/443771648.db2.gz GEFCOLDGERVJFB-STQMWFEESA-N 1 0 328.416 1.909 20 10 EDCDRO COc1cc(Cl)cc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000284616262 443780863 /nfs/dbraw/zinc/78/08/63/443780863.db2.gz MCJBCWOMAFUBAG-KGLIPLIRSA-N 1 0 326.824 1.959 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](O)CC3)CC2)cc1 ZINC000293042231 443910654 /nfs/dbraw/zinc/91/06/54/443910654.db2.gz HEHZTPZZLKXJML-KRWDZBQOSA-N 1 0 347.459 1.191 20 10 EDCDRO CCC[C@@]1(CO)CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000288889613 444006679 /nfs/dbraw/zinc/00/66/79/444006679.db2.gz RPVDPWWMWPYVEX-LJQANCHMSA-N 1 0 333.476 1.853 20 10 EDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293593003 444064231 /nfs/dbraw/zinc/06/42/31/444064231.db2.gz IRHKCZQFFUCFPC-OAHLLOKOSA-N 1 0 332.404 1.712 20 10 EDCDRO C[N@H+](C[C@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428378 444140525 /nfs/dbraw/zinc/14/05/25/444140525.db2.gz XFNZADVUHBPGCT-ROUUACIJSA-N 1 0 334.460 1.828 20 10 EDCDRO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000364498858 445926547 /nfs/dbraw/zinc/92/65/47/445926547.db2.gz ZKEHCWNEGYFCAS-HNNXBMFYSA-N 1 0 348.466 1.631 20 10 EDCDRO CN(C)c1ccc(CNC(=O)CN2CCc3c(ncn3C)C2)cc1 ZINC000369778315 446153166 /nfs/dbraw/zinc/15/31/66/446153166.db2.gz QDHSDNMYSNSFSF-UHFFFAOYSA-N 1 0 327.432 1.161 20 10 EDCDRO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000366984975 446444986 /nfs/dbraw/zinc/44/49/86/446444986.db2.gz YWKJVKQKUMGGHW-KRWDZBQOSA-N 1 0 331.460 1.911 20 10 EDCDRO CN1CC[NH+](C2(C(=O)NCCc3ccc(O)c(O)c3)CCCC2)CC1 ZINC000367294002 446533534 /nfs/dbraw/zinc/53/35/34/446533534.db2.gz AJRURWLGZWGHRF-UHFFFAOYSA-N 1 0 347.459 1.317 20 10 EDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000371567396 446932128 /nfs/dbraw/zinc/93/21/28/446932128.db2.gz AKMZEEUELUOPNW-ZWXLGZMVSA-N 1 0 332.400 1.169 20 10 EDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527956667 448398906 /nfs/dbraw/zinc/39/89/06/448398906.db2.gz QXYYDWIXTQSXAX-HNAYVOBHSA-N 1 0 334.460 1.967 20 10 EDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cn2cccn2)cc1 ZINC000729928900 578603914 /nfs/dbraw/zinc/60/39/14/578603914.db2.gz OSJPCJUHEGSIME-SFHVURJKSA-N 1 0 341.459 1.730 20 10 EDCDRO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)CC1 ZINC000732203308 578697322 /nfs/dbraw/zinc/69/73/22/578697322.db2.gz WPWJYFKIXUGUTG-AWEZNQCLSA-N 1 0 349.431 1.513 20 10 EDCDRO CN1CCCc2cc(CNC(=O)NC3CC[NH+](CCO)CC3)ccc21 ZINC000732456877 578713548 /nfs/dbraw/zinc/71/35/48/578713548.db2.gz MQYUWRGXMNSMRP-UHFFFAOYSA-N 1 0 346.475 1.325 20 10 EDCDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1ccccc1O ZINC000747560837 579649200 /nfs/dbraw/zinc/64/92/00/579649200.db2.gz SQEAFCVNCPWXLQ-UHFFFAOYSA-N 1 0 342.399 1.874 20 10 EDCDRO C[C@@H]1CCN2[C@H](c3ccc(N4CC[NH+](C)CC4)cc3)NC(=O)[C@@H]2C1 ZINC000777897887 580452623 /nfs/dbraw/zinc/45/26/23/580452623.db2.gz JPITWEXGVFXOTO-FHLIZLRMSA-N 1 0 328.460 1.667 20 10 EDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CCO)CC2)cc1 ZINC000778270172 580460320 /nfs/dbraw/zinc/46/03/20/580460320.db2.gz DLGNCJLONHCRFB-INIZCTEOSA-N 1 0 347.459 1.191 20 10 EDCDRO CCOc1ccc(C[NH+]2CCC(C(=O)NCCOC)CC2)c(O)c1 ZINC000768235896 580209492 /nfs/dbraw/zinc/20/94/92/580209492.db2.gz DNLFZTSFQXTKNN-UHFFFAOYSA-N 1 0 336.432 1.766 20 10 EDCDRO COCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768237692 580209532 /nfs/dbraw/zinc/20/95/32/580209532.db2.gz MVZAUERFEXUXEQ-UHFFFAOYSA-N 1 0 337.439 1.866 20 10 EDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCN1CC(F)F ZINC000768466327 580214272 /nfs/dbraw/zinc/21/42/72/580214272.db2.gz ZCCAZQBGSWMKGK-IUODEOHRSA-N 1 0 342.386 1.979 20 10 EDCDRO CCOc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000770327042 580258136 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Cc1cc(Br)cc(C[NH2+]CCC2CS(=O)(=O)C2)c1O ZINC000787417052 580694899 /nfs/dbraw/zinc/69/48/99/580694899.db2.gz IFKLZMALSIWFQO-UHFFFAOYSA-N 1 0 348.262 1.987 20 10 EDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000787423304 580694991 /nfs/dbraw/zinc/69/49/91/580694991.db2.gz JATMOCXMIGPFII-VKJFTORMSA-N 1 0 347.434 1.748 20 10 EDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1C ZINC000800309820 581050339 /nfs/dbraw/zinc/05/03/39/581050339.db2.gz SBWJZHYQCGRFEX-HIFRSBDPSA-N 1 0 326.462 1.817 20 10 EDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)cc1 ZINC000892193831 590858762 /nfs/dbraw/zinc/85/87/62/590858762.db2.gz RORZHBSORSHGTO-KKUMJFAQSA-N 1 0 332.448 1.558 20 10 EDCDRO COc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)co1 ZINC000891245987 591015765 /nfs/dbraw/zinc/01/57/65/591015765.db2.gz LFICDTARHNZDME-HNNXBMFYSA-N 1 0 332.404 1.782 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cncn2C)[NH+](C)C)cc1 ZINC000891249633 591018068 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Cc1cccc(C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)c1O ZINC000896888506 591650787 /nfs/dbraw/zinc/65/07/87/591650787.db2.gz SFFHYNIEFIVJLI-UHFFFAOYSA-N 1 0 341.411 1.223 20 10 EDCDRO C[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+](C)C ZINC000895208870 591658060 /nfs/dbraw/zinc/65/80/60/591658060.db2.gz OGRNJVISLOFWNW-WMLDXEAASA-N 1 0 335.496 1.605 20 10 EDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC(CO)CC2)[NH+](C)C)cc1 ZINC000899101725 591682432 /nfs/dbraw/zinc/68/24/32/591682432.db2.gz LGZWZNBRWWXKEJ-GOSISDBHSA-N 1 0 348.491 1.769 20 10 EDCDRO CN(C)c1ccc(/C=C/C[NH2+]CCS(=O)(=O)N2CCCC2)cc1 ZINC000897828503 591686320 /nfs/dbraw/zinc/68/63/20/591686320.db2.gz XEYBEVLPICXRNO-AATRIKPKSA-N 1 0 337.489 1.781 20 10 EDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H]2CCO)[NH+](C)C)cc1 ZINC000899099301 591688836 /nfs/dbraw/zinc/68/88/36/591688836.db2.gz YMRWQZICLXFKDF-ROUUACIJSA-N 1 0 348.491 1.912 20 10 EDCDRO C[C@@H]1C[C@H](O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100562 591689962 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CCOC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CC12COC2 ZINC000840100179 593180037 /nfs/dbraw/zinc/18/00/37/593180037.db2.gz LPWSGXPGUCYAJI-CQSZACIVSA-N 1 0 335.400 1.721 20 10 EDCDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(N(C)C)cc1 ZINC000838558960 593187616 /nfs/dbraw/zinc/18/76/16/593187616.db2.gz IXLWTSQYUCKKBC-YJBOKZPZSA-N 1 0 348.491 1.960 20 10 EDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146089 593264271 /nfs/dbraw/zinc/26/42/71/593264271.db2.gz WIPFKAKLJSOWIV-NSHDSACASA-N 1 0 348.415 1.324 20 10 EDCDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000840185503 593360998 /nfs/dbraw/zinc/36/09/98/593360998.db2.gz FWEOIFODHDNRJC-NSHDSACASA-N 1 0 325.386 1.459 20 10 EDCDRO COCC[C@H](COC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000810173958 593387131 /nfs/dbraw/zinc/38/71/31/593387131.db2.gz LPYPCCWWQYTBSR-OAHLLOKOSA-N 1 0 326.412 1.803 20 10 EDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000804429884 593413805 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CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000817934624 593650016 /nfs/dbraw/zinc/65/00/16/593650016.db2.gz LKSDTFDHZNCNRA-FHLIZLRMSA-N 1 0 333.476 1.875 20 10 EDCDRO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817945088 593651186 /nfs/dbraw/zinc/65/11/86/593651186.db2.gz UAOUMHWAFIOSBB-SNVBAGLBSA-N 1 0 346.244 1.850 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000817950758 593651371 /nfs/dbraw/zinc/65/13/71/593651371.db2.gz YTLBPGOWNFGGSZ-HNNXBMFYSA-N 1 0 333.432 1.341 20 10 EDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000817949790 593651381 /nfs/dbraw/zinc/65/13/81/593651381.db2.gz NCKFBLPQWQWHSA-LSDHHAIUSA-N 1 0 347.459 1.717 20 10 EDCDRO C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000818655322 593710493 /nfs/dbraw/zinc/71/04/93/593710493.db2.gz LEXXGQQMQBNSIA-CVEARBPZSA-N 1 0 346.475 1.915 20 10 EDCDRO C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000818657695 593710756 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