smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+]CC1(C[NH+]2CCCCCC2)CCOCC1 ZINC000052180821 519909826 /nfs/dbraw/zinc/90/98/26/519909826.db2.gz OUMNCUXLSFVNHQ-UHFFFAOYSA-N 2 0 268.445 2.659 10 0 CFAERP CCC[NH2+]C[C@@](C)(CC)CN(CCC)CC[NH+](C)C ZINC000051254384 519930483 /nfs/dbraw/zinc/93/04/83/519930483.db2.gz FRIZYASDUPEYCW-MRXNPFEDSA-N 2 0 271.493 2.676 10 0 CFAERP CCCCOCC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000049261898 520780279 /nfs/dbraw/zinc/78/02/79/520780279.db2.gz ARAUUOWFEAMAOG-OAHLLOKOSA-N 2 0 256.434 2.657 10 0 CFAERP CC[N@H+](CCOc1cccc(C[NH2+]C)c1)CC(C)C ZINC000052449696 521150245 /nfs/dbraw/zinc/15/02/45/521150245.db2.gz XTYDGAVUTZVBGU-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052511181 521227976 /nfs/dbraw/zinc/22/79/76/521227976.db2.gz AWFFFBXPRFYGQK-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CCC(C)(C)[N@H+](C)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429393 521308011 /nfs/dbraw/zinc/30/80/11/521308011.db2.gz NLPHNDLERPUERQ-GFCCVEGCSA-N 2 0 277.412 2.593 10 0 CFAERP CCC(C)(C)[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069429357 521309043 /nfs/dbraw/zinc/30/90/43/521309043.db2.gz QEXISMMDDFLXID-LBPRGKRZSA-N 2 0 277.412 2.593 10 0 CFAERP CCC(CC)[N@H+](CCOC)[C@@H](C)CC[NH2+]C1CC1 ZINC000052573416 521562090 /nfs/dbraw/zinc/56/20/90/521562090.db2.gz LQSHCLJDCQGMBD-ZDUSSCGKSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[N@H+](CC[C@H](C[NH3+])OCC)Cc1ccccc1 ZINC000062740933 521670529 /nfs/dbraw/zinc/67/05/29/521670529.db2.gz MCGCVRQMQWDQDM-MRXNPFEDSA-N 2 0 264.413 2.653 10 0 CFAERP CC(C)C[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052182778 519714728 /nfs/dbraw/zinc/71/47/28/519714728.db2.gz FJHMMXSSLSKURF-UHFFFAOYSA-N 2 0 280.456 2.656 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346232 519723636 /nfs/dbraw/zinc/72/36/36/519723636.db2.gz MPZOFTJHGLWXIX-IRXDYDNUSA-N 2 0 294.414 2.803 10 0 CFAERP CC(C)[NH2+]C[C@H](OCC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000052672817 519724857 /nfs/dbraw/zinc/72/48/57/519724857.db2.gz LPVWBHGSRYAFSY-GJZGRUSLSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)C[NH2+]CCCC[N@H+](C)CCc1ccccn1 ZINC000052423749 519743318 /nfs/dbraw/zinc/74/33/18/519743318.db2.gz VBALXGSNKDRYGI-UHFFFAOYSA-N 2 0 263.429 2.582 10 0 CFAERP CC(C)C[NH2+]CCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702278 519744108 /nfs/dbraw/zinc/74/41/08/519744108.db2.gz HLFVGXDYLVAGDG-QGZVFWFLSA-N 2 0 276.424 2.523 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382072 519745203 /nfs/dbraw/zinc/74/52/03/519745203.db2.gz JFVHKYSQEJOHMW-JKSUJKDBSA-N 2 0 268.445 2.656 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377168 519746413 /nfs/dbraw/zinc/74/64/13/519746413.db2.gz NTSUFUCDSUYFFV-HZPDHXFCSA-N 2 0 268.445 2.512 10 0 CFAERP CC(C)[C@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181747 519811870 /nfs/dbraw/zinc/81/18/70/519811870.db2.gz LRXWPFIUDGOMIJ-AWEZNQCLSA-N 2 0 268.445 2.512 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCN2CCCCC2)CC1 ZINC000049574797 519847918 /nfs/dbraw/zinc/84/79/18/519847918.db2.gz OPXZPNZBWVUWGJ-INIZCTEOSA-N 2 0 281.488 2.572 10 0 CFAERP CCC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052347068 519859341 /nfs/dbraw/zinc/85/93/41/519859341.db2.gz HRCCHVMJNHHFIJ-CVEARBPZSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH+]1CCN(Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052421844 519859344 /nfs/dbraw/zinc/85/93/44/519859344.db2.gz JETMKHGRULTGKO-UHFFFAOYSA-N 2 0 293.455 2.695 10 0 CFAERP CCCC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052374084 519901320 /nfs/dbraw/zinc/90/13/20/519901320.db2.gz ALZWXHWXFJGGHJ-SJORKVTESA-N 2 0 280.456 2.798 10 0 CFAERP CCCC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]CC)O2)CC1 ZINC000052374066 519902260 /nfs/dbraw/zinc/90/22/60/519902260.db2.gz HQYDZLQTZKCBQX-JKSUJKDBSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425078 519925256 /nfs/dbraw/zinc/92/52/56/519925256.db2.gz PKTUGIIYUXDBPR-HOTGVXAUSA-N 2 0 268.445 2.800 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424745 519936806 /nfs/dbraw/zinc/93/68/06/519936806.db2.gz RERCNGHSVROZJR-MSOLQXFVSA-N 2 0 290.451 2.974 10 0 CFAERP CCC[NH2+]C[C@](C)(CC)CN1CC[NH+](C2CCCC2)CC1 ZINC000052063842 519940040 /nfs/dbraw/zinc/94/00/40/519940040.db2.gz LHPYHGLKNHVPJJ-SFHVURJKSA-N 2 0 295.515 2.963 10 0 CFAERP CCC[NH2+]Cc1ccc(COCCC[NH+](C)C)cc1 ZINC000052672604 519951164 /nfs/dbraw/zinc/95/11/64/519951164.db2.gz BQMVORGEGFFLSC-UHFFFAOYSA-N 2 0 264.413 2.655 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@H+](C)CC(C)C)c1 ZINC000052452660 520005784 /nfs/dbraw/zinc/00/57/84/520005784.db2.gz DELQPKBGGIIWKK-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CCCCC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045423291 520166797 /nfs/dbraw/zinc/16/67/97/520166797.db2.gz VDWBFJXORFPGLV-KRWDZBQOSA-N 2 0 299.503 2.909 10 0 CFAERP CCCO[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050953634 520285636 /nfs/dbraw/zinc/28/56/36/520285636.db2.gz ONEMLIISPRXDAX-INIZCTEOSA-N 2 0 268.445 2.657 10 0 CFAERP CC1(C)C[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052481877 520480025 /nfs/dbraw/zinc/48/00/25/520480025.db2.gz IEMKMVIATBBRMQ-UHFFFAOYSA-N 2 0 274.408 2.549 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050939678 520634100 /nfs/dbraw/zinc/63/41/00/520634100.db2.gz PSOQGWBQLTUNAV-HOTGVXAUSA-N 2 0 297.487 2.535 10 0 CFAERP CC[NH+](CC)[C@@H](CNc1[nH+]ccn1C)c1ccccc1 ZINC000050605642 520839823 /nfs/dbraw/zinc/83/98/23/520839823.db2.gz DYDHCPAUQHHFLU-HNNXBMFYSA-N 2 0 272.396 2.915 10 0 CFAERP CC[N@H+](CC1CC1)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000069239987 520957845 /nfs/dbraw/zinc/95/78/45/520957845.db2.gz ZFARBRIUVAPGKV-UHFFFAOYSA-N 2 0 282.472 2.761 10 0 CFAERP CC[N@H+](CC1CC1)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000069239991 520957982 /nfs/dbraw/zinc/95/79/82/520957982.db2.gz KWWPFRWLWPAESL-KRWDZBQOSA-N 2 0 282.472 2.903 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000069380551 521121825 /nfs/dbraw/zinc/12/18/25/521121825.db2.gz JBGBBHJUVSTQBH-INIZCTEOSA-N 2 0 271.493 2.804 10 0 CFAERP CCCC[C@](CC)(CN)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000069381127 521253476 /nfs/dbraw/zinc/25/34/76/521253476.db2.gz GPYHTFUXCBSSIJ-MRXNPFEDSA-N 2 0 269.477 2.558 10 0 CFAERP CCC[N@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181209 521605388 /nfs/dbraw/zinc/60/53/88/521605388.db2.gz OVEIWQHYZFVWGU-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP CC[N@@H+]1CCC[C@@H](n2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000049220604 521627484 /nfs/dbraw/zinc/62/74/84/521627484.db2.gz ZXKMVRKPBGWAQR-SNVBAGLBSA-N 2 0 278.787 2.929 10 0 CFAERP CCCN(CC[NH+](C)C)C[C@H]([NH2+]CC)c1ccccc1C ZINC000045688806 521656456 /nfs/dbraw/zinc/65/64/56/521656456.db2.gz LRYVYWVSZIVNNP-SFHVURJKSA-N 2 0 291.483 2.919 10 0 CFAERP CC[C@@H](C)[N@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052444140 522062356 /nfs/dbraw/zinc/06/23/56/522062356.db2.gz HIYQFHKUIVUPIO-CYBMUJFWSA-N 2 0 250.386 2.515 10 0 CFAERP C[NH2+]Cc1cc(C[N@H+](C)C2CCCCCC2)on1 ZINC000052482053 522104324 /nfs/dbraw/zinc/10/43/24/522104324.db2.gz DSLUNGFIVJTFCY-UHFFFAOYSA-N 2 0 251.374 2.549 10 0 CFAERP C[NH2+]Cc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000052377024 522122476 /nfs/dbraw/zinc/12/24/76/522122476.db2.gz DMKMYMOGRKROJD-UHFFFAOYSA-N 2 0 262.397 2.517 10 0 CFAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055074350 522128597 /nfs/dbraw/zinc/12/85/97/522128597.db2.gz IMGRHKNHNHVSOH-CVEARBPZSA-N 2 0 269.477 2.569 10 0 CFAERP CC[C@H](C[NH2+]C(C)C)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416945 522190975 /nfs/dbraw/zinc/19/09/75/522190975.db2.gz ZRYZTXNTYLAOAJ-QZTJIDSGSA-N 2 0 289.467 2.752 10 0 CFAERP CC[C@H](C[NH2+]CC(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503288 522194536 /nfs/dbraw/zinc/19/45/36/522194536.db2.gz SDAGOJXEPJFOBB-MRXNPFEDSA-N 2 0 271.493 2.530 10 0 CFAERP C[NH2+][C@H](C)c1ccccc1OCCC[NH+]1CCCC1 ZINC000049331909 522451973 /nfs/dbraw/zinc/45/19/73/522451973.db2.gz HLMWRERAEPMXDD-CQSZACIVSA-N 2 0 262.397 2.832 10 0 CFAERP C[N@H+](CCCC[NH2+]C(C)(C)C)CCc1ccccn1 ZINC000052423748 522734436 /nfs/dbraw/zinc/73/44/36/522734436.db2.gz LMRPKUNIDGBDGX-UHFFFAOYSA-N 2 0 263.429 2.724 10 0 CFAERP C[N@H+](CCCOCC(F)(F)F)Cc1ccc(C[NH3+])cc1 ZINC000049312104 522777862 /nfs/dbraw/zinc/77/78/62/522777862.db2.gz LQTDFGAIXWRFDN-UHFFFAOYSA-N 2 0 290.329 2.546 10 0 CFAERP C[N@H+](CCCOCC(F)(F)F)Cc1cccc(C[NH3+])c1 ZINC000049312083 522778901 /nfs/dbraw/zinc/77/89/01/522778901.db2.gz DAIBTDACIQQBKQ-UHFFFAOYSA-N 2 0 290.329 2.546 10 0 CFAERP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(O)cc1 ZINC000049553200 522908987 /nfs/dbraw/zinc/90/89/87/522908987.db2.gz XHLDYRQEHASZMF-SWLSCSKDSA-N 2 0 250.386 2.773 10 0 CFAERP COCC[N@H+](CCCC1CC[NH2+]CC1)[C@H](C)C1CC1 ZINC000050953773 523694057 /nfs/dbraw/zinc/69/40/57/523694057.db2.gz ZTLWYQHQWMOFIN-CQSZACIVSA-N 2 0 268.445 2.513 10 0 CFAERP COCC[N@H+]([C@@H](C)CCC[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000052545416 523781138 /nfs/dbraw/zinc/78/11/38/523781138.db2.gz DPZQHMLJDHQCBJ-GJZGRUSLSA-N 2 0 270.461 2.900 10 0 CFAERP COC(=O)[C@@](C)([NH3+])CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000061821718 523816316 /nfs/dbraw/zinc/81/63/16/523816316.db2.gz WTINKVFOVILIAS-INIZCTEOSA-N 2 0 296.455 2.703 10 0 CFAERP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070149890 524178056 /nfs/dbraw/zinc/17/80/56/524178056.db2.gz LBXAKHAVRIRQOG-INIZCTEOSA-N 2 0 276.424 2.886 10 0 CFAERP C[C@@H]1CCC[N@@H+]1CCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000052375903 524261478 /nfs/dbraw/zinc/26/14/78/524261478.db2.gz SOFUROMVQIQARJ-CQSZACIVSA-N 2 0 274.408 2.802 10 0 CFAERP Cc1cc(CC[NH3+])cc(C)c1OCCC[NH+]1CCCC1 ZINC000049334075 524638852 /nfs/dbraw/zinc/63/88/52/524638852.db2.gz ZKIOLFDLPOBBTQ-UHFFFAOYSA-N 2 0 276.424 2.669 10 0 CFAERP C[C@H]([NH3+])c1ccc(F)cc1OCC[NH+]1CCCCC1 ZINC000062745360 524865451 /nfs/dbraw/zinc/86/54/51/524865451.db2.gz DEGQPYRWVAIGJC-LBPRGKRZSA-N 2 0 266.360 2.710 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2[C@@H](C)C[NH+]1CCCC1 ZINC000049185007 526219597 /nfs/dbraw/zinc/21/95/97/526219597.db2.gz RDCRLSSGMDCDBE-LBPRGKRZSA-N 2 0 258.369 2.584 10 0 CFAERP Cc1[nH+]ccc(N(C)CC[C@@H]([NH3+])C(C)C)c1Cl ZINC000310565467 527344406 /nfs/dbraw/zinc/34/44/06/527344406.db2.gz XJHZMEYZZMHUDX-LLVKDONJSA-N 2 0 255.793 2.853 10 0 CFAERP Cc1nc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000396442004 574355158 /nfs/dbraw/zinc/35/51/58/574355158.db2.gz AAGFDMJTAFJNGQ-GHMZBOCLSA-N 2 0 267.442 2.832 10 0 CFAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000396468777 574355788 /nfs/dbraw/zinc/35/57/88/574355788.db2.gz VTFNHYIZJQWSKT-XIRDDKMYSA-N 2 0 288.460 2.602 10 0 CFAERP CCC[C@@H]1CC[NH2+]C2(CC[NH+](CC(C)C)CC2)O1 ZINC000757140354 617796085 /nfs/dbraw/zinc/79/60/85/617796085.db2.gz BAQAOSSWSCQNJL-CQSZACIVSA-N 2 0 254.418 2.613 10 0 CFAERP CC[C@]1(C)CCOC2(CC[NH+](CC(C)C)CC2)[NH2+]1 ZINC000757145885 617816932 /nfs/dbraw/zinc/81/69/32/617816932.db2.gz IYBBDORYZZFXNC-CQSZACIVSA-N 2 0 254.418 2.613 10 0 CFAERP CC[C@@]1(C)CCOC2(CC[NH+](CC(C)C)CC2)[NH2+]1 ZINC000757145884 617817262 /nfs/dbraw/zinc/81/72/62/617817262.db2.gz IYBBDORYZZFXNC-AWEZNQCLSA-N 2 0 254.418 2.613 10 0 CFAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@@H](C)CC(C)(C)O2 ZINC000757150469 617830487 /nfs/dbraw/zinc/83/04/87/617830487.db2.gz PVLWHKZQSIELCU-ZDUSSCGKSA-N 2 0 254.418 2.612 10 0 CFAERP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261667655 618128506 /nfs/dbraw/zinc/12/85/06/618128506.db2.gz ZVLNZIISFJVPLI-BBWFWOEESA-N 2 0 258.409 2.979 10 0 CFAERP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261772129 618427011 /nfs/dbraw/zinc/42/70/11/618427011.db2.gz DSWLINRWIQFNBT-IRXDYDNUSA-N 2 0 287.451 2.587 10 0 CFAERP Cc1nc([C@@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cs1 ZINC000262029332 619392008 /nfs/dbraw/zinc/39/20/08/619392008.db2.gz WZIGNNHZBXZANB-OCCSQVGLSA-N 2 0 265.426 2.588 10 0 CFAERP c1ccc(SCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129154621 645091492 /nfs/dbraw/zinc/09/14/92/645091492.db2.gz FLKMRAWXCNZCPR-ZDUSSCGKSA-N 2 0 250.411 2.510 10 0 CFAERP C[NH+](C)CCc1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000082440819 178018902 /nfs/dbraw/zinc/01/89/02/178018902.db2.gz GCKDVTBQPSWTTE-UHFFFAOYSA-N 2 0 281.469 2.797 10 0 CFAERP CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccc(C)cc21 ZINC000082509311 178075326 /nfs/dbraw/zinc/07/53/26/178075326.db2.gz GJRUCBXQAKZOTC-HNNXBMFYSA-N 2 0 274.408 2.893 10 0 CFAERP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3F)C[C@@H]21 ZINC000096081868 185090531 /nfs/dbraw/zinc/09/05/31/185090531.db2.gz HBFUXDFARQABOB-SQWLQELKSA-N 2 0 291.414 2.630 10 0 CFAERP C[NH+](C)Cc1ccccc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086818564 179347488 /nfs/dbraw/zinc/34/74/88/179347488.db2.gz CMTNIZPPUXMPFD-OAHLLOKOSA-N 2 0 261.413 2.644 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000086818866 179348760 /nfs/dbraw/zinc/34/87/60/179348760.db2.gz ZFTZNZKDJUYNJV-CYBMUJFWSA-N 2 0 264.438 2.811 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817136 179344692 /nfs/dbraw/zinc/34/46/92/179344692.db2.gz ZRCFZQUEITZPBG-HOTGVXAUSA-N 3 0 269.477 2.571 10 0 CFAERP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817892 179346136 /nfs/dbraw/zinc/34/61/36/179346136.db2.gz XWNIXOZQLYUGBC-CHWSQXEVSA-N 2 0 252.427 2.753 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H](C)CC2)CC1 ZINC000086848717 179356188 /nfs/dbraw/zinc/35/61/88/179356188.db2.gz FCUGKLYLHPJYOF-IAGOWNOFSA-N 2 0 281.488 2.700 10 0 CFAERP Cc1occc1CN(C)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086847601 179356213 /nfs/dbraw/zinc/35/62/13/179356213.db2.gz ORQGPBNHLCWVAN-QGZVFWFLSA-N 2 0 293.455 2.612 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000086848524 179356585 /nfs/dbraw/zinc/35/65/85/179356585.db2.gz RHNSUROPLBYHSW-KRWDZBQOSA-N 2 0 281.488 2.702 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)C[C@@H](C)CC)CC1 ZINC000086846917 179357070 /nfs/dbraw/zinc/35/70/70/179357070.db2.gz QXBJLQOFWPASGQ-HOTGVXAUSA-N 2 0 269.477 2.558 10 0 CFAERP CCCCOCC[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842324 179352493 /nfs/dbraw/zinc/35/24/93/179352493.db2.gz YJLASZHVDFMVNK-HNNXBMFYSA-N 2 0 256.434 2.656 10 0 CFAERP Cc1[nH+]ccc(N2CCC(CC[NH3+])CC2)c1Cl ZINC000383947057 348532451 /nfs/dbraw/zinc/53/24/51/348532451.db2.gz IAZKILQMRUCLCJ-UHFFFAOYSA-N 2 0 253.777 2.609 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N(C)CCC[NH+](C)C ZINC000104198161 185926789 /nfs/dbraw/zinc/92/67/89/185926789.db2.gz AYYTXOZZSHZNIH-HOTGVXAUSA-N 2 0 269.477 2.571 10 0 CFAERP C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CCC[NH+](C)C ZINC000104201978 185928627 /nfs/dbraw/zinc/92/86/27/185928627.db2.gz JKRKPWRGPORSHU-GXFFZTMASA-N 2 0 289.876 2.673 10 0 CFAERP COc1ccc(C[NH3+])cc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000104360839 185984318 /nfs/dbraw/zinc/98/43/18/185984318.db2.gz YMHPNNNYQADMBL-ZDUSSCGKSA-N 2 0 262.397 2.776 10 0 CFAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000629595166 354854806 /nfs/dbraw/zinc/85/48/06/354854806.db2.gz NASIEBMUMCJORX-MELADBBJSA-N 2 0 272.383 2.743 10 0 CFAERP C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C[NH3+] ZINC000631840088 355603223 /nfs/dbraw/zinc/60/32/23/355603223.db2.gz PJLOYBFHNOSFDY-WCQYABFASA-N 2 0 289.810 2.915 10 0 CFAERP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841576 355604192 /nfs/dbraw/zinc/60/41/92/355604192.db2.gz MMTCCONIDRGJGX-PWSUYJOCSA-N 2 0 272.314 2.732 10 0 CFAERP C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CC[NH2+]C1 ZINC000400444241 299269455 /nfs/dbraw/zinc/26/94/55/299269455.db2.gz PDNAZYMOIMZOBL-JYBOHDQNSA-N 2 0 264.335 2.695 10 0 CFAERP O[C@H](C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178976692 189158889 /nfs/dbraw/zinc/15/88/89/189158889.db2.gz JENLJUSTXVBCGO-ZWKOTPCHSA-N 2 0 288.435 2.574 10 0 CFAERP O[C@H](C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)c1cccs1 ZINC000178977041 189158907 /nfs/dbraw/zinc/15/89/07/189158907.db2.gz MBIDGKBFQNMFIF-LSDHHAIUSA-N 2 0 294.464 2.636 10 0 CFAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000222951231 541326694 /nfs/dbraw/zinc/32/66/94/541326694.db2.gz QJQWEGGFHSKKKG-NOOOWODRSA-N 2 0 264.335 2.967 10 0 CFAERP Cc1ccsc1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275553056 193074014 /nfs/dbraw/zinc/07/40/14/193074014.db2.gz NMLAJIRCNXQNER-GFCCVEGCSA-N 2 0 261.394 2.605 10 0 CFAERP [NH3+]C1(CN[C@H]2CCC(=O)Nc3ccccc32)CCCCC1 ZINC000333286184 205185595 /nfs/dbraw/zinc/18/55/95/205185595.db2.gz NIEYKMDOFJHUAP-AWEZNQCLSA-N 2 0 287.407 2.711 10 0 CFAERP C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000120452058 376617185 /nfs/dbraw/zinc/61/71/85/376617185.db2.gz QIZCVWWEWRRGDX-DVOMOZLQSA-N 2 0 262.397 2.686 10 0 CFAERP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC(C)(C)C1 ZINC000174354926 379870891 /nfs/dbraw/zinc/87/08/91/379870891.db2.gz KAGWAQNCAWGEIR-IAGOWNOFSA-N 2 0 295.515 2.818 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400335738 380857260 /nfs/dbraw/zinc/85/72/60/380857260.db2.gz FWNSEYWEKAMICZ-INMHGKMJSA-N 2 0 276.424 2.569 10 0 CFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3cnccn3)C2)[nH+]1 ZINC000184567240 381434286 /nfs/dbraw/zinc/43/42/86/381434286.db2.gz OSVDPFJKBMGDSR-GJZGRUSLSA-N 2 0 297.406 2.675 10 0 CFAERP CCC[N@@H+]1CCCN(c2ccncc2Cl)CC1 ZINC000301560348 382177240 /nfs/dbraw/zinc/17/72/40/382177240.db2.gz IFRSBSJPFMIUNO-UHFFFAOYSA-N 2 0 253.777 2.657 10 0 CFAERP C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12CC[NH2+]C[C@H]2C ZINC000306159940 382454074 /nfs/dbraw/zinc/45/40/74/382454074.db2.gz SAXVOWYQSQSZGA-INMHGKMJSA-N 2 0 258.409 2.897 10 0 CFAERP C[C@H](CC[NH2+]C[C@@H](O)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000379659312 382508239 /nfs/dbraw/zinc/50/82/39/382508239.db2.gz ZOJNPJBXKHVXQQ-NVXWUHKLSA-N 2 0 292.467 2.894 10 0 CFAERP Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000382471440 382530300 /nfs/dbraw/zinc/53/03/00/382530300.db2.gz PYUXOBWIDXLZPK-QWHCGFSZSA-N 2 0 255.365 2.504 10 0 CFAERP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388524376 382607034 /nfs/dbraw/zinc/60/70/34/382607034.db2.gz MTINAWTUDVOFJQ-DJIMGWMZSA-N 2 0 260.425 2.924 10 0 CFAERP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000191504027 382701117 /nfs/dbraw/zinc/70/11/17/382701117.db2.gz UYASUCUWDGOTBR-INIZCTEOSA-N 2 0 290.455 2.547 10 0 CFAERP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195269773 382765699 /nfs/dbraw/zinc/76/56/99/382765699.db2.gz VPDILBABBRTBCB-MRXNPFEDSA-N 2 0 273.424 2.778 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)ccc(Br)c1F ZINC000575440288 382771700 /nfs/dbraw/zinc/77/17/00/382771700.db2.gz ZMZUEHZZKLZZTN-SECBINFHSA-N 2 0 293.155 2.856 10 0 CFAERP Cc1cc(Br)cc([C@@H]([NH3+])CCC[NH3+])c1F ZINC000575440499 382771771 /nfs/dbraw/zinc/77/17/71/382771771.db2.gz ZPTBPCGHLRAOQV-JTQLQIEISA-N 2 0 275.165 2.635 10 0 CFAERP CCC[C@H]1C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000233395593 382871114 /nfs/dbraw/zinc/87/11/14/382871114.db2.gz YNWRJFLQSHEONA-XJKSGUPXSA-N 2 0 259.397 2.829 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000245594669 383011963 /nfs/dbraw/zinc/01/19/63/383011963.db2.gz ICVBDFXYPXYUII-SOLBZPMBSA-N 2 0 296.499 2.837 10 0 CFAERP c1ccc(COCCC2(C[NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000423048462 383030235 /nfs/dbraw/zinc/03/02/35/383030235.db2.gz IEEBPQXNUZZVLJ-UHFFFAOYSA-N 2 0 288.435 2.715 10 0 CFAERP FC1(F)CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423075182 383041437 /nfs/dbraw/zinc/04/14/37/383041437.db2.gz NZSJICUZLWCREF-RWMBFGLXSA-N 2 0 258.356 2.685 10 0 CFAERP C[N@H+](Cc1cnc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000261596905 383525038 /nfs/dbraw/zinc/52/50/38/383525038.db2.gz WDUFPUUPVVTJBH-INIZCTEOSA-N 2 0 269.392 2.809 10 0 CFAERP C[C@H]1CN(Cc2cccc(OC3CCCC3)c2)C[C@@H]1[NH3+] ZINC000261938430 383583471 /nfs/dbraw/zinc/58/34/71/383583471.db2.gz DLEOKVXPSWZOFD-GUYCJALGSA-N 2 0 274.408 2.787 10 0 CFAERP C[N@H+](C[C@@H]1CCC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC000262005002 383594033 /nfs/dbraw/zinc/59/40/33/383594033.db2.gz ULLHYNAEQMGBFA-OAHLLOKOSA-N 2 0 258.409 2.650 10 0 CFAERP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261780847 383559645 /nfs/dbraw/zinc/55/96/45/383559645.db2.gz PLGKNVGOAVMOOB-USXIJHARSA-N 2 0 274.408 2.643 10 0 CFAERP Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000247011678 393891769 /nfs/dbraw/zinc/89/17/69/393891769.db2.gz MGENZULJWWUDCI-AWEZNQCLSA-N 2 0 285.366 2.967 10 0 CFAERP CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245958048 393841249 /nfs/dbraw/zinc/84/12/49/393841249.db2.gz XQACSMCCTPLIMX-YYIAUSFCSA-N 2 0 294.483 2.900 10 0 CFAERP c1n[nH]cc1[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161829570 394367953 /nfs/dbraw/zinc/36/79/53/394367953.db2.gz HLMGVOGIEBWBCP-MRXNPFEDSA-N 2 0 276.428 2.813 10 0 CFAERP C[C@@H]([NH2+][C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000037220956 543027393 /nfs/dbraw/zinc/02/73/93/543027393.db2.gz XZKUSQPDYQXPLY-DYVFJYSZSA-N 2 0 258.409 2.994 10 0 CFAERP CCC(CC)(CC)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000391195218 543106679 /nfs/dbraw/zinc/10/66/79/543106679.db2.gz VUKDJQDSHZYFEH-OAHLLOKOSA-N 2 0 270.461 2.639 10 0 CFAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394672158 397551038 /nfs/dbraw/zinc/55/10/38/397551038.db2.gz SYROLCSNAWKLJP-STQMWFEESA-N 2 0 260.372 2.873 10 0 CFAERP Cn1c2ccccc2c(C[NH+]2CCCCC2)c1C[NH3+] ZINC000009239731 170368149 /nfs/dbraw/zinc/36/81/49/170368149.db2.gz SGCJAICNELXXOD-UHFFFAOYSA-N 2 0 257.381 2.623 10 0 CFAERP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365684 171164111 /nfs/dbraw/zinc/16/41/11/171164111.db2.gz LMRROSWOEOHSNG-OWCLPIDISA-N 2 0 299.503 2.780 10 0 CFAERP CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365664 171164445 /nfs/dbraw/zinc/16/44/45/171164445.db2.gz GWCBGDQJZBYHNG-HZPDHXFCSA-N 2 0 299.503 2.781 10 0 CFAERP CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000022156395 171362295 /nfs/dbraw/zinc/36/22/95/171362295.db2.gz PQOHIMQJTHBYAS-CYBMUJFWSA-N 2 0 277.412 2.594 10 0 CFAERP C[N@@H+](Cc1ccsc1)C[C@H](C[NH3+])c1ccccc1 ZINC000035731475 172381342 /nfs/dbraw/zinc/38/13/42/172381342.db2.gz FERTVSHUIMCVQF-HNNXBMFYSA-N 2 0 260.406 2.922 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]Cc2ccco2)CC1 ZINC000037208428 173030701 /nfs/dbraw/zinc/03/07/01/173030701.db2.gz FCSPOEWIVWBYMA-CYBMUJFWSA-N 2 0 250.386 2.880 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037209100 173030759 /nfs/dbraw/zinc/03/07/59/173030759.db2.gz ADESZHYKLIJJDG-UKRRQHHQSA-N 2 0 264.388 2.688 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)c2cccnc2)CC1 ZINC000037220817 173038904 /nfs/dbraw/zinc/03/89/04/173038904.db2.gz KUUFTDMXIWTWEB-UONOGXRCSA-N 2 0 261.413 2.853 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccs2)C1 ZINC000037221152 173040158 /nfs/dbraw/zinc/04/01/58/173040158.db2.gz CFTDONRFUZADAJ-CHWSQXEVSA-N 2 0 252.427 2.958 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCOCC(C)C)C1 ZINC000037221362 173040866 /nfs/dbraw/zinc/04/08/66/173040866.db2.gz JNUFNXJWNAGZOZ-HZPDHXFCSA-N 2 0 270.461 2.759 10 0 CFAERP CC[N@H+](Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000037538707 173258761 /nfs/dbraw/zinc/25/87/61/173258761.db2.gz GEZLSZNLQOCEJI-UHFFFAOYSA-N 2 0 252.789 2.914 10 0 CFAERP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000665283246 414246584 /nfs/dbraw/zinc/24/65/84/414246584.db2.gz JWQIKJWWBFZOBY-NUEKZKHPSA-N 2 0 268.445 2.559 10 0 CFAERP C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H]1CC[NH2+]C1 ZINC000656201286 414534106 /nfs/dbraw/zinc/53/41/06/414534106.db2.gz OCXXMWZLGRMGFB-GVXVVHGQSA-N 2 0 260.372 2.788 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)CC1 ZINC000038028852 174018842 /nfs/dbraw/zinc/01/88/42/174018842.db2.gz BFGMMWABBGFTKK-HZPDHXFCSA-N 2 0 281.488 2.571 10 0 CFAERP Cc1cc[n+](Cc2cccc(C[n+]3ccc(C)cc3)c2)cc1 ZINC000038992333 174161000 /nfs/dbraw/zinc/16/10/00/174161000.db2.gz YZWDKVNJLSFEJG-UHFFFAOYSA-N 2 0 290.410 2.975 10 0 CFAERP CC[NH2+][C@H](C)c1ccccc1OCCC[NH+](C)C ZINC000040240408 174212516 /nfs/dbraw/zinc/21/25/16/174212516.db2.gz AZXMRCJOSQJLME-CYBMUJFWSA-N 2 0 250.386 2.688 10 0 CFAERP C[C@@H]([NH3+])c1c(F)cccc1OCC[C@@H]1CCC[N@@H+]1C ZINC000040240643 174213790 /nfs/dbraw/zinc/21/37/90/174213790.db2.gz UJYRQFVQOUPGEW-NEPJUHHUSA-N 2 0 266.360 2.709 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC)cc2)C1 ZINC000040592786 174347964 /nfs/dbraw/zinc/34/79/64/174347964.db2.gz BLFJWXQFIOIDRE-UONOGXRCSA-N 2 0 262.397 2.688 10 0 CFAERP [NH3+]Cc1ccccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693609 174377404 /nfs/dbraw/zinc/37/74/04/174377404.db2.gz HNILOEMKWNWSBB-UHFFFAOYSA-N 2 0 287.451 2.596 10 0 CFAERP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c2ccccc21 ZINC000040749439 174393863 /nfs/dbraw/zinc/39/38/63/174393863.db2.gz VKDKDVPVINYDJI-GOOCMWNKSA-N 2 0 269.392 2.632 10 0 CFAERP COc1ccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(OC)c1 ZINC000040749400 174394182 /nfs/dbraw/zinc/39/41/82/174394182.db2.gz YLEHWNQTFZDPKO-RLAWYHOSSA-N 2 0 290.407 2.719 10 0 CFAERP Cc1cccc(OCCC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750028 174394780 /nfs/dbraw/zinc/39/47/80/174394780.db2.gz UTWPAJLFKSEZGZ-MQVJKMGUSA-N 2 0 274.408 2.718 10 0 CFAERP C[C@H](C[NH+]1CCCCC1)n1ccc2c1CCC[C@H]2[NH3+] ZINC000041723739 174618691 /nfs/dbraw/zinc/61/86/91/174618691.db2.gz JAYUTXDZYSYMNE-UKRRQHHQSA-N 2 0 261.413 2.871 10 0 CFAERP CC(C)C[N@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000042563012 174798417 /nfs/dbraw/zinc/79/84/17/174798417.db2.gz NDFDFAMXLLPJII-UHFFFAOYSA-N 2 0 291.439 2.840 10 0 CFAERP CCc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](CC)CC2)cc1 ZINC000042615854 174829185 /nfs/dbraw/zinc/82/91/85/174829185.db2.gz BKWDNAAFMLYOIQ-SFHVURJKSA-N 2 0 289.467 2.665 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)cc1)N1CCC([NH+](C)C)CC1 ZINC000042914457 174912767 /nfs/dbraw/zinc/91/27/67/174912767.db2.gz RUJVEDHFYQAQDI-ZWKOTPCHSA-N 2 0 289.467 2.799 10 0 CFAERP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000043249046 174994025 /nfs/dbraw/zinc/99/40/25/174994025.db2.gz NZXDFOKDLVMFMX-HUUCEWRRSA-N 2 0 297.512 2.964 10 0 CFAERP CC[NH+](CC)Cc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043326622 175008051 /nfs/dbraw/zinc/00/80/51/175008051.db2.gz JSPWJTUQMVQEOM-INIZCTEOSA-N 2 0 261.413 2.692 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C1CC[NH+](CC)CC1 ZINC000043365324 175026546 /nfs/dbraw/zinc/02/65/46/175026546.db2.gz IJOJOVGQGMLNGG-DOTOQJQBSA-N 2 0 293.455 2.783 10 0 CFAERP CC[C@H]([NH3+])Cc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000043492829 175057817 /nfs/dbraw/zinc/05/78/17/175057817.db2.gz HMYMZIBOXQSZRH-LBPRGKRZSA-N 2 0 270.804 2.560 10 0 CFAERP CC(C)[NH+]1CCN([C@H](C[NH3+])C[C@H](C)c2ccccc2)CC1 ZINC000043534818 175063031 /nfs/dbraw/zinc/06/30/31/175063031.db2.gz BLDSKRYGWFILER-WMZOPIPTSA-N 2 0 289.467 2.534 10 0 CFAERP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000043559853 175065773 /nfs/dbraw/zinc/06/57/73/175065773.db2.gz QQNAFMNXCYTNNM-MJBXVCDLSA-N 2 0 289.423 2.606 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](CCC)CC1 ZINC000043805618 175107390 /nfs/dbraw/zinc/10/73/90/175107390.db2.gz HPVDIMYXRWTQRE-DLBZAZTESA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805639 175107418 /nfs/dbraw/zinc/10/74/18/175107418.db2.gz GCOOCAHZPYUIFW-KURKYZTESA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805612 175107500 /nfs/dbraw/zinc/10/75/00/175107500.db2.gz HPVDIMYXRWTQRE-SJORKVTESA-N 2 0 281.488 2.715 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000043807528 175108573 /nfs/dbraw/zinc/10/85/73/175108573.db2.gz MYTMNSPZPQFXPA-ZDUSSCGKSA-N 2 0 262.397 2.962 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815414 175112243 /nfs/dbraw/zinc/11/22/43/175112243.db2.gz QOXMTMQDNDIFKM-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818370 175113016 /nfs/dbraw/zinc/11/30/16/175113016.db2.gz XCMIHVCKHICYED-ZACQAIPSSA-N 2 0 295.515 2.817 10 0 CFAERP C[NH2+][C@@H](CN1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000043817795 175113308 /nfs/dbraw/zinc/11/33/08/175113308.db2.gz DWGAFIZHIJAQHF-SJORKVTESA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818580 175113898 /nfs/dbraw/zinc/11/38/98/175113898.db2.gz MGFXLEOCCPOJIF-JKSUJKDBSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C(CC)CC)OCCO2 ZINC000043896196 175119349 /nfs/dbraw/zinc/11/93/49/175119349.db2.gz NKSGOHAWPDTVMZ-JKSUJKDBSA-N 2 0 298.471 2.771 10 0 CFAERP CCc1ccc([C@@H](CN2CCC([NH+](C)C)CC2)[NH2+]C)cc1 ZINC000043897347 175119734 /nfs/dbraw/zinc/11/97/34/175119734.db2.gz JIDFKUHQTBDMAS-GOSISDBHSA-N 2 0 289.467 2.536 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897546 175120344 /nfs/dbraw/zinc/12/03/44/175120344.db2.gz BJXWQHCKJKAJDT-NXHRZFHOSA-N 2 0 295.515 2.959 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897521 175120728 /nfs/dbraw/zinc/12/07/28/175120728.db2.gz ZTSKSTUEOJCDSE-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897469 175120755 /nfs/dbraw/zinc/12/07/55/175120755.db2.gz PFUXOYPQPRIAPW-HOTGVXAUSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OCC)c(C[N@H+](C)CCOC)c1 ZINC000043916149 175125310 /nfs/dbraw/zinc/12/53/10/175125310.db2.gz NUPSREWFISADLT-AWEZNQCLSA-N 2 0 294.439 2.834 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000043965560 175127168 /nfs/dbraw/zinc/12/71/68/175127168.db2.gz SVCGAVNVXHNSSM-KRWDZBQOSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965702 175127325 /nfs/dbraw/zinc/12/73/25/175127325.db2.gz FBIBQPDUXPYLAB-LSDHHAIUSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965579 175127339 /nfs/dbraw/zinc/12/73/39/175127339.db2.gz WHBVBYXMFWVCMT-CVEARBPZSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965667 175127460 /nfs/dbraw/zinc/12/74/60/175127460.db2.gz WWTXCSTWIVOAJY-ULQDDVLXSA-N 2 0 295.515 2.959 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967788 175128832 /nfs/dbraw/zinc/12/88/32/175128832.db2.gz QMDQZWRFYYAGKM-NXHRZFHOSA-N 2 0 293.499 2.713 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967801 175129036 /nfs/dbraw/zinc/12/90/36/175129036.db2.gz DNEGPZJZSNXPAW-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970443 175131230 /nfs/dbraw/zinc/13/12/30/175131230.db2.gz PDHALOTXUARYMX-HUUCEWRRSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970383 175131264 /nfs/dbraw/zinc/13/12/64/175131264.db2.gz XTJWGIHLKCTCJS-HZPDHXFCSA-N 2 0 270.461 2.902 10 0 CFAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970548 175131795 /nfs/dbraw/zinc/13/17/95/175131795.db2.gz SWDMNEYMYVSKLW-QAPCUYQASA-N 2 0 289.467 2.609 10 0 CFAERP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977730 175133514 /nfs/dbraw/zinc/13/35/14/175133514.db2.gz OYNYBYIIZVYJJK-CWRNSKLLSA-N 2 0 268.445 2.654 10 0 CFAERP Cc1ccc(C)c([C@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000044169700 175148743 /nfs/dbraw/zinc/14/87/43/175148743.db2.gz ZYMBGHYRZQKEFM-GOSISDBHSA-N 2 0 290.451 2.610 10 0 CFAERP COc1ccc2c(c1)CCC[C@H]2[NH+]1CCC(C[NH3+])CC1 ZINC000044512156 175188385 /nfs/dbraw/zinc/18/83/85/175188385.db2.gz FEGIQCZIJRWYKT-QGZVFWFLSA-N 2 0 274.408 2.743 10 0 CFAERP [NH3+]CC1CC[NH+]([C@H](c2ccccc2)c2ccccn2)CC1 ZINC000044512013 175188417 /nfs/dbraw/zinc/18/84/17/175188417.db2.gz VESIONZZPWDHMC-GOSISDBHSA-N 2 0 281.403 2.842 10 0 CFAERP CCn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c2ccccc21 ZINC000044528022 175192597 /nfs/dbraw/zinc/19/25/97/175192597.db2.gz VUSIHJGEACDCPX-CQSZACIVSA-N 2 0 271.408 2.832 10 0 CFAERP CC(C)[N@H+](C)CCCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000044573210 175210422 /nfs/dbraw/zinc/21/04/22/175210422.db2.gz YOEDLLKXOSGDGG-UHFFFAOYSA-N 2 0 292.423 2.668 10 0 CFAERP Oc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000044746869 175242495 /nfs/dbraw/zinc/24/24/95/175242495.db2.gz QUKJMSKPXBBWRB-QGZVFWFLSA-N 2 0 274.408 2.845 10 0 CFAERP CCCC(C[NH3+])(CCC)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000044808127 175257117 /nfs/dbraw/zinc/25/71/17/175257117.db2.gz CXBIBFRJXAFJOY-UHFFFAOYSA-N 2 0 299.503 2.578 10 0 CFAERP CCCC[N@H+](CC)CCCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045370526 175363997 /nfs/dbraw/zinc/36/39/97/175363997.db2.gz YJNYQYJWLUIBFW-INIZCTEOSA-N 2 0 285.476 2.522 10 0 CFAERP CCCC[N@H+](CC)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045370440 175364376 /nfs/dbraw/zinc/36/43/76/175364376.db2.gz DQDYCBLDWNYNLL-OAHLLOKOSA-N 2 0 272.433 2.559 10 0 CFAERP CCC[NH+](CCC)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045378508 175367483 /nfs/dbraw/zinc/36/74/83/175367483.db2.gz ORMPDQSASWKYKR-OAHLLOKOSA-N 2 0 272.433 2.559 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@@](C)([NH3+])C(=O)OC ZINC000045380602 175369406 /nfs/dbraw/zinc/36/94/06/175369406.db2.gz QUXAVLFRFMJDEC-OAHLLOKOSA-N 2 0 272.433 2.559 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@](C)([NH2+]CC)C(N)=O ZINC000045380628 175370488 /nfs/dbraw/zinc/37/04/88/175370488.db2.gz KWYMDFKZIUUPFK-INIZCTEOSA-N 2 0 285.476 2.522 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[N@H+](CCC)C(C)C)C(N)=O ZINC000045385891 175371770 /nfs/dbraw/zinc/37/17/70/175371770.db2.gz MIMZOBJXEXYSBX-MRXNPFEDSA-N 2 0 285.476 2.521 10 0 CFAERP CCCC[N@H+](CCCC[C@@](C)([NH2+]CCC)C(N)=O)C1CC1 ZINC000045421746 175380524 /nfs/dbraw/zinc/38/05/24/175380524.db2.gz PHDDLSHDOMXVKQ-QGZVFWFLSA-N 2 0 297.487 2.665 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000071584852 176209989 /nfs/dbraw/zinc/20/99/89/176209989.db2.gz FZIHZPJTCSLZGN-IAGOWNOFSA-N 2 0 258.409 2.821 10 0 CFAERP CC1(C)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000076697544 177061233 /nfs/dbraw/zinc/06/12/33/177061233.db2.gz IIYDMQNCWMPTCT-HOTGVXAUSA-N 2 0 258.409 2.897 10 0 CFAERP CC[C@H](CC[NH3+])CCC[NH2+]Cc1cnc(C)s1 ZINC000079214048 177448929 /nfs/dbraw/zinc/44/89/29/177448929.db2.gz PEKIPWFIZCQBFF-LBPRGKRZSA-N 2 0 255.431 2.696 10 0 CFAERP c1ccc(COc2ccc(C[NH2+]C[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000398362510 270321679 /nfs/dbraw/zinc/32/16/79/270321679.db2.gz YFCSWFJOOBOAAM-GOSISDBHSA-N 2 0 296.414 2.965 10 0 CFAERP Cc1cc(N2CC[NH2+]CC2)c2ccc(Cl)cc2[nH+]1 ZINC000032500249 274708375 /nfs/dbraw/zinc/70/83/75/274708375.db2.gz RBFWRKKGKJNZHU-UHFFFAOYSA-N 2 0 261.756 2.606 10 0 CFAERP C[NH2+]CCC1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000261572133 277021379 /nfs/dbraw/zinc/02/13/79/277021379.db2.gz LLWBMVLWVGKPLM-UHFFFAOYSA-N 2 0 267.804 2.869 10 0 CFAERP CC1(C)C[N@H+](C[C@@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261569207 278334676 /nfs/dbraw/zinc/33/46/76/278334676.db2.gz JPUZFWSHDVLHNY-VXGBXAGGSA-N 2 0 260.372 2.871 10 0 CFAERP Cc1[nH+]ccc(N2CCC([C@@H](C)[NH3+])CC2)c1Cl ZINC000261552567 279164198 /nfs/dbraw/zinc/16/41/98/279164198.db2.gz NBJJHJBBVCFICJ-SECBINFHSA-N 2 0 253.777 2.607 10 0 CFAERP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000127633656 280666603 /nfs/dbraw/zinc/66/66/03/280666603.db2.gz SXOULTVFQICTSC-IKGGRYGDSA-N 2 0 295.515 2.817 10 0 CFAERP C[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@@]1(C)C[NH3+] ZINC000311821109 288270520 /nfs/dbraw/zinc/27/05/20/288270520.db2.gz QIVKLKIEDHBXSK-MLGOLLRUSA-N 2 0 255.365 2.656 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251460669 281072756 /nfs/dbraw/zinc/07/27/56/281072756.db2.gz YVZMIHPVCSDYSD-BRWVUGGUSA-N 2 0 283.504 2.863 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000245594656 290085055 /nfs/dbraw/zinc/08/50/55/290085055.db2.gz ICVBDFXYPXYUII-BQFCYCMXSA-N 2 0 296.499 2.837 10 0 CFAERP C[C@@H]([NH2+]CCSc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089555 290347008 /nfs/dbraw/zinc/34/70/08/290347008.db2.gz OIPCLWDMJPSJDQ-ZIAGYGMSSA-N 2 0 264.438 2.756 10 0 CFAERP [NH3+]C1CCC([NH2+]C[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000094074707 303361743 /nfs/dbraw/zinc/36/17/43/303361743.db2.gz WSVYEUWRLZAOIM-DAWZGUTISA-N 2 0 287.451 2.683 10 0 CFAERP CC(C)C[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052452641 519709166 /nfs/dbraw/zinc/70/91/66/519709166.db2.gz NNONVFFSTNCESX-UHFFFAOYSA-N 2 0 253.390 2.651 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)C[C@H](C)CC)CCOCC1 ZINC000052181442 519909471 /nfs/dbraw/zinc/90/94/71/519909471.db2.gz WZIYQWWLEBUQDA-OAHLLOKOSA-N 2 0 270.461 2.761 10 0 CFAERP CCC[NH2+]CCC[C@@H](C)OCC[C@@H]1CCC[N@@H+]1C ZINC000052673523 519913332 /nfs/dbraw/zinc/91/33/32/519913332.db2.gz ZLKHIURTUZJFIU-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+]Cc1occc1CN(CC[NH+](C)C)CC(C)C ZINC000052503331 519973671 /nfs/dbraw/zinc/97/36/71/519973671.db2.gz OKGOJLHEAICNRO-UHFFFAOYSA-N 2 0 295.471 2.799 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)C2CCCCC2)O1 ZINC000052420134 519979097 /nfs/dbraw/zinc/97/90/97/519979097.db2.gz RBFOZCFVJWSRFV-HZPDHXFCSA-N 2 0 268.445 2.798 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000052484489 519999069 /nfs/dbraw/zinc/99/90/69/519999069.db2.gz CTGUNQCMJKMLPD-CQSZACIVSA-N 2 0 262.397 2.517 10 0 CFAERP CCCCC[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052454786 520149925 /nfs/dbraw/zinc/14/99/25/520149925.db2.gz GVBTVUCWYGRTOY-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CCCCC[N@H+](C)C[C@@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052454914 520152711 /nfs/dbraw/zinc/15/27/11/520152711.db2.gz ZNZVGSDQGXIVPM-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CCCC[N@H+](C)C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052418057 520414784 /nfs/dbraw/zinc/41/47/84/520414784.db2.gz LUDDCZKAEBPIDN-KGLIPLIRSA-N 2 0 256.434 2.654 10 0 CFAERP CCO[C@H](C[NH3+])CC[N@H+](Cc1ccccc1)C(C)C ZINC000062740778 520516039 /nfs/dbraw/zinc/51/60/39/520516039.db2.gz FXCYPBVTIZBEHB-INIZCTEOSA-N 2 0 264.413 2.651 10 0 CFAERP CCC(CC)[N@H+](CCOC)[C@@H](CC)C[NH2+]C(C)C ZINC000052573296 521562998 /nfs/dbraw/zinc/56/29/98/521562998.db2.gz GZVYQJANKZOTDO-HNNXBMFYSA-N 2 0 258.450 2.900 10 0 CFAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2cccc(Cl)c2)O1 ZINC000052508243 522095652 /nfs/dbraw/zinc/09/56/52/522095652.db2.gz UKCDSKRBHKCXTL-HUUCEWRRSA-N 2 0 282.815 2.539 10 0 CFAERP C([NH2+]C1CC1)[C@@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425091 518399122 /nfs/dbraw/zinc/39/91/22/518399122.db2.gz JRDRHFJDUGESLT-HOTGVXAUSA-N 2 0 266.429 2.552 10 0 CFAERP CC(C)(C)[NH2+]CCCCCOCC[NH+]1CCCC1 ZINC000052670419 518755980 /nfs/dbraw/zinc/75/59/80/518755980.db2.gz FPAPTBCKZIIYAB-UHFFFAOYSA-N 2 0 256.434 2.657 10 0 CFAERP CC(C)(C)[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763384 518754220 /nfs/dbraw/zinc/75/42/20/518754220.db2.gz WMJOBRUDBIFSFN-AWEZNQCLSA-N 2 0 270.461 2.638 10 0 CFAERP FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414825290 534412411 /nfs/dbraw/zinc/41/24/11/534412411.db2.gz HAZASBWMNRCWRE-MSXOGSJSSA-N 2 0 276.346 2.980 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416598 519723856 /nfs/dbraw/zinc/72/38/56/519723856.db2.gz WQZJDDMFHOTRLO-LSDHHAIUSA-N 2 0 294.464 2.652 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419172 519724020 /nfs/dbraw/zinc/72/40/20/519724020.db2.gz YXWBVOHVKNDUMR-ZWKOTPCHSA-N 2 0 288.435 2.590 10 0 CFAERP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000052481772 519727100 /nfs/dbraw/zinc/72/71/00/519727100.db2.gz ZPZMSTGJJUXQIH-UHFFFAOYSA-N 2 0 276.424 2.795 10 0 CFAERP CC(C)C[NH+]1CCN(c2cccc(Cl)c2C[NH3+])CC1 ZINC000055076821 519729178 /nfs/dbraw/zinc/72/91/78/519729178.db2.gz NVSQGRFRTNJOMC-UHFFFAOYSA-N 2 0 281.831 2.577 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCCC[C@H]2C)CCOCC1 ZINC000052180706 519742721 /nfs/dbraw/zinc/74/27/21/519742721.db2.gz BNUZIFOJRJISNM-MRXNPFEDSA-N 2 0 282.472 2.903 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181794 519742771 /nfs/dbraw/zinc/74/27/71/519742771.db2.gz ROERVGUFLZMPPW-HNNXBMFYSA-N 2 0 282.472 2.759 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382075 519745444 /nfs/dbraw/zinc/74/54/44/519745444.db2.gz JFVHKYSQEJOHMW-HOTGVXAUSA-N 2 0 268.445 2.656 10 0 CFAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)OCC[NH+]1CCCCC1 ZINC000052670634 519794874 /nfs/dbraw/zinc/79/48/74/519794874.db2.gz MVVJFRBJBRGGQX-OAHLLOKOSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCSC)C1 ZINC000069434245 519852239 /nfs/dbraw/zinc/85/22/39/519852239.db2.gz XVOKBMPJASPGPT-ZIAGYGMSSA-N 2 0 258.475 2.840 10 0 CFAERP CCC[NH+]1CCN([C@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052422108 519859667 /nfs/dbraw/zinc/85/96/67/519859667.db2.gz GPLRFSCNUYFSCX-GOSISDBHSA-N 2 0 287.451 2.507 10 0 CFAERP CCCC1CC[NH+](CC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000050893175 519900933 /nfs/dbraw/zinc/90/09/33/519900933.db2.gz IMXZRKWHRKGFKC-UHFFFAOYSA-N 2 0 289.423 2.596 10 0 CFAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CSC ZINC000069444465 519911291 /nfs/dbraw/zinc/91/12/91/519911291.db2.gz WKZCKLRRLKEKNW-RLAWYHOSSA-N 2 0 256.459 2.590 10 0 CFAERP CCC[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000052417261 519912207 /nfs/dbraw/zinc/91/22/07/519912207.db2.gz SQFUHOLMEYKNIG-UHFFFAOYSA-N 2 0 275.440 2.588 10 0 CFAERP CCC[NH2+]CCCCC[N@H+](CCOC)[C@H](C)CC ZINC000052547402 519912293 /nfs/dbraw/zinc/91/22/93/519912293.db2.gz RNHVWCRIDFCWTD-OAHLLOKOSA-N 2 0 258.450 2.903 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC)[C@H](C)CC)CCOCC1 ZINC000052181376 519912844 /nfs/dbraw/zinc/91/28/44/519912844.db2.gz CCKCIRVQYNCCOM-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(CC)CC2)O1 ZINC000052347067 519935997 /nfs/dbraw/zinc/93/59/97/519935997.db2.gz BZFLTMSLYSAIQZ-CVEARBPZSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)C2CCCCC2)O1 ZINC000052420135 519950618 /nfs/dbraw/zinc/95/06/18/519950618.db2.gz RBFOZCFVJWSRFV-HOTGVXAUSA-N 2 0 268.445 2.798 10 0 CFAERP CCC[NH2+]Cc1cccc(OCC[N@H+](C)CCC)c1 ZINC000052444502 519954646 /nfs/dbraw/zinc/95/46/46/519954646.db2.gz IXWWYJINPPDQSX-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CCC[NH2+]Cc1cccc(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000052481771 519955313 /nfs/dbraw/zinc/95/53/13/519955313.db2.gz OIZVIAGXTPROKF-UHFFFAOYSA-N 2 0 276.424 2.797 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CC2CCCCC2)O1 ZINC000052346822 519978030 /nfs/dbraw/zinc/97/80/30/519978030.db2.gz WPHHLDODCQENBA-CVEARBPZSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH2+]Cc1oc(C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000052381693 520028917 /nfs/dbraw/zinc/02/89/17/520028917.db2.gz IOWBYTLVYQRXTP-LBPRGKRZSA-N 2 0 250.386 2.929 10 0 CFAERP CC[NH2+][C@H](C)CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000061275438 520171554 /nfs/dbraw/zinc/17/15/54/520171554.db2.gz ANHYUFRPRKPQFL-NXEZZACHSA-N 2 0 255.431 2.799 10 0 CFAERP CCCO[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]C2CC2)C1 ZINC000052371627 520274898 /nfs/dbraw/zinc/27/48/98/520274898.db2.gz HULOKXLPKZHVLL-GOEBONIOSA-N 2 0 268.445 2.798 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC000052171843 520631270 /nfs/dbraw/zinc/63/12/70/520631270.db2.gz IZRHIOQFPLKXEM-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP CCOc1ccc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231668451 521173650 /nfs/dbraw/zinc/17/36/50/521173650.db2.gz XQXWYDYQBAJJIE-HNNXBMFYSA-N 2 0 292.423 2.538 10 0 CFAERP CCC(C)(C)[N@H+](C)CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429364 521301943 /nfs/dbraw/zinc/30/19/43/521301943.db2.gz AWPWYFOAONTJBT-UHFFFAOYSA-N 2 0 277.412 2.594 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050579136 521566600 /nfs/dbraw/zinc/56/66/00/521566600.db2.gz HCTHWUYNVGMYQH-KRWDZBQOSA-N 2 0 293.430 2.550 10 0 CFAERP CCC[N@H+](CC)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052448337 521613022 /nfs/dbraw/zinc/61/30/22/521613022.db2.gz VMLFALXJZXVZGC-UHFFFAOYSA-N 2 0 253.390 2.652 10 0 CFAERP CC[N@@H+]1CCC[C@@H](n2c(N)[nH+]c3cc(C)ccc32)C1 ZINC000049220638 521626250 /nfs/dbraw/zinc/62/62/50/521626250.db2.gz DLUVDSFWNBVAQB-GFCCVEGCSA-N 2 0 258.369 2.584 10 0 CFAERP CC[NH+]1CCN([C@H](C[NH2+]CC(C)C)c2ccccc2)CC1 ZINC000052422570 521695006 /nfs/dbraw/zinc/69/50/06/521695006.db2.gz OOFMHUWYEMVCIN-GOSISDBHSA-N 2 0 289.467 2.611 10 0 CFAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccccc1 ZINC000054601414 521952264 /nfs/dbraw/zinc/95/22/64/521952264.db2.gz SBXPXJSRAKEUFA-ALOPSCKCSA-N 2 0 258.409 2.834 10 0 CFAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccs1 ZINC000054626807 521956445 /nfs/dbraw/zinc/95/64/45/521956445.db2.gz COVKVBSYOYHBRE-YHWZYXNKSA-N 2 0 250.411 2.505 10 0 CFAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccc(Cl)c2)O1 ZINC000052508240 522058002 /nfs/dbraw/zinc/05/80/02/522058002.db2.gz UKCDSKRBHKCXTL-LSDHHAIUSA-N 2 0 282.815 2.539 10 0 CFAERP C[NH2+]Cc1cc(C[N@@H+]2CCc3ccccc3C2)oc1C ZINC000052419098 522108612 /nfs/dbraw/zinc/10/86/12/522108612.db2.gz WSHCKRDMRXAYGM-UHFFFAOYSA-N 2 0 270.376 2.866 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000052381355 522140618 /nfs/dbraw/zinc/14/06/18/522140618.db2.gz ATRJGXNQHZVTPC-AWEZNQCLSA-N 2 0 262.397 2.517 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420693 522140925 /nfs/dbraw/zinc/14/09/25/522140925.db2.gz CGLSRBSTYWJDKF-HUUCEWRRSA-N 2 0 276.424 2.763 10 0 CFAERP C[NH2+]Cc1coc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000052373107 522149664 /nfs/dbraw/zinc/14/96/64/522149664.db2.gz WEBFEJFHXWOCEA-MRXNPFEDSA-N 2 0 270.376 2.989 10 0 CFAERP CC[C@H](C[NH2+]C(C)(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503285 522190095 /nfs/dbraw/zinc/19/00/95/522190095.db2.gz OCYDWHAPVXEQPF-OAHLLOKOSA-N 2 0 271.493 2.673 10 0 CFAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000151257943 522611399 /nfs/dbraw/zinc/61/13/99/522611399.db2.gz QGMUJLWJMRAKQY-MSOLQXFVSA-N 2 0 290.451 2.883 10 0 CFAERP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000151258002 522851076 /nfs/dbraw/zinc/85/10/76/522851076.db2.gz QGMUJLWJMRAKQY-QZTJIDSGSA-N 2 0 290.451 2.883 10 0 CFAERP C[N@H+](C[C@@H]1CCCO1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374528 523055114 /nfs/dbraw/zinc/05/51/14/523055114.db2.gz PPWDPLACEVZEMV-CPCZMJQVSA-N 2 0 294.361 2.547 10 0 CFAERP CC[C@H]1CCC[N@H+](CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052181828 523088878 /nfs/dbraw/zinc/08/88/78/523088878.db2.gz QLYSNSQSGWNQRG-INIZCTEOSA-N 2 0 282.472 2.903 10 0 CFAERP C[N@H+](Cc1c(C[NH3+])oc2ccccc21)[C@@H]1CCSC1 ZINC000052453252 523152188 /nfs/dbraw/zinc/15/21/88/523152188.db2.gz SHCHNBXFQOBHFH-LLVKDONJSA-N 2 0 276.405 2.829 10 0 CFAERP CC[C@@H]1CCC[N@H+](CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052181826 523249875 /nfs/dbraw/zinc/24/98/75/523249875.db2.gz QLYSNSQSGWNQRG-MRXNPFEDSA-N 2 0 282.472 2.903 10 0 CFAERP CC[C@@H]1CCC[N@H+](Cc2cc(C[NH2+]C)c(C)o2)C1 ZINC000052479689 523253584 /nfs/dbraw/zinc/25/35/84/523253584.db2.gz QXSQNWZMASPSCL-CYBMUJFWSA-N 2 0 250.386 2.929 10 0 CFAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000361886467 523781082 /nfs/dbraw/zinc/78/10/82/523781082.db2.gz LCJGPBNSOUBXAL-GJZGRUSLSA-N 2 0 282.472 2.638 10 0 CFAERP COc1ccc(C2CC([NH2+][C@@H](C)CC[NH+](C)C)C2)cc1 ZINC000049553930 523882059 /nfs/dbraw/zinc/88/20/59/523882059.db2.gz ZSHPEDXNIPYGKZ-JEYLPNPQSA-N 2 0 276.424 2.871 10 0 CFAERP CC[C@H](C)[N@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052451219 523934967 /nfs/dbraw/zinc/93/49/67/523934967.db2.gz AQNIMGPNNGGWSK-AWEZNQCLSA-N 2 0 264.413 2.905 10 0 CFAERP C[C@H](CCC[NH2+]C(C)(C)C)OC1CC[NH+](C)CC1 ZINC000052596811 524142447 /nfs/dbraw/zinc/14/24/47/524142447.db2.gz IZKPYDXHQHKJQB-CYBMUJFWSA-N 2 0 256.434 2.654 10 0 CFAERP C[C@@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)[C@@H]1C ZINC000052182074 524221403 /nfs/dbraw/zinc/22/14/03/524221403.db2.gz KJBAZBKRDQYRJA-HUUCEWRRSA-N 2 0 280.456 2.656 10 0 CFAERP C[C@@H](CCC[NH3+])[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443402 524455905 /nfs/dbraw/zinc/45/59/05/524455905.db2.gz JYMPAZVCXVJWBR-ZDUSSCGKSA-N 2 0 281.831 2.589 10 0 CFAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCOc1ccccc1 ZINC000061815911 524589102 /nfs/dbraw/zinc/58/91/02/524589102.db2.gz VLGAAEKUGDKYML-CABCVRRESA-N 2 0 262.397 2.515 10 0 CFAERP C[C@H]1C[NH+](Cc2c3ccccc3sc2C[NH3+])C[C@H](C)O1 ZINC000052380580 524607565 /nfs/dbraw/zinc/60/75/65/524607565.db2.gz DAENFDIVZHGLKT-RYUDHWBXSA-N 2 0 290.432 2.969 10 0 CFAERP C[C@@H]1C[C@H](C)C[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180560 525380577 /nfs/dbraw/zinc/38/05/77/525380577.db2.gz QKRFYLZIPWMPMY-GASCZTMLSA-N 2 0 280.456 2.513 10 0 CFAERP c1ccc([C@H]2C[C@@H]2[NH2+]CCCC2CC[NH2+]CC2)cc1 ZINC000050953975 526498651 /nfs/dbraw/zinc/49/86/51/526498651.db2.gz UCVSMMPMZVORRC-SJORKVTESA-N 2 0 258.409 2.912 10 0 CFAERP Cc1oc(C[NH3+])cc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346182 526770075 /nfs/dbraw/zinc/77/00/75/526770075.db2.gz YZMKOQDECIVAFW-UHFFFAOYSA-N 2 0 262.328 2.818 10 0 CFAERP Cc1oc(C[N@@H+]2CC[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052484389 526771220 /nfs/dbraw/zinc/77/12/20/526771220.db2.gz AGVCZHJYEPREMV-GFCCVEGCSA-N 2 0 250.386 2.928 10 0 CFAERP [NH3+]C1CCC(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000050600869 527139129 /nfs/dbraw/zinc/13/91/29/527139129.db2.gz UTIXCSWWRCZVIM-ARWYELJZSA-N 2 0 258.409 2.993 10 0 CFAERP [NH3+]C[C@@H](C[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000050910492 527201760 /nfs/dbraw/zinc/20/17/60/527201760.db2.gz NUPDSPLZNLDYAJ-KRWDZBQOSA-N 2 0 252.361 2.745 10 0 CFAERP [NH3+]Cc1sc2ccccc2c1C[NH+]1CCSCC1 ZINC000052425630 527268184 /nfs/dbraw/zinc/26/81/84/527268184.db2.gz NZCBHTYNWSZCTG-UHFFFAOYSA-N 2 0 278.446 2.909 10 0 CFAERP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000151343523 529174387 /nfs/dbraw/zinc/17/43/87/529174387.db2.gz DCSNXMRMSJWTBO-IAGOWNOFSA-N 2 0 282.472 2.782 10 0 CFAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000396468771 574355505 /nfs/dbraw/zinc/35/55/05/574355505.db2.gz VTFNHYIZJQWSKT-BHYGNILZSA-N 2 0 288.460 2.602 10 0 CFAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000261721451 618375128 /nfs/dbraw/zinc/37/51/28/618375128.db2.gz QFHBZQKOLMVNOB-RRQGHBQHSA-N 2 0 281.403 2.712 10 0 CFAERP C[NH2+]C[C@H]1CCCCN1c1cc[nH+]c2ccccc21 ZINC000053706846 618938746 /nfs/dbraw/zinc/93/87/46/618938746.db2.gz GLUHPJLTJOSXIR-CYBMUJFWSA-N 2 0 255.365 2.813 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCSCc3ccccc3)C[C@@H]12 ZINC000261803572 619277196 /nfs/dbraw/zinc/27/71/96/619277196.db2.gz HCKLWLOJSSCDDR-BZUAXINKSA-N 2 0 276.449 2.589 10 0 CFAERP Cc1nc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cs1 ZINC000261954925 619348952 /nfs/dbraw/zinc/34/89/52/619348952.db2.gz OLXOFJAFULRCJS-AWEZNQCLSA-N 2 0 265.426 2.588 10 0 CFAERP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000231457966 623346710 /nfs/dbraw/zinc/34/67/10/623346710.db2.gz SJFLQAFXTUPQHA-CQSZACIVSA-N 2 0 250.361 2.708 10 0 CFAERP CCC[NH2+]Cc1sc(CC[NH+](C)C)nc1C(C)C ZINC000082434483 178011534 /nfs/dbraw/zinc/01/15/34/178011534.db2.gz YSCQPOPAFXOPCD-UHFFFAOYSA-N 2 0 269.458 2.870 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])s1 ZINC000250961306 293244997 /nfs/dbraw/zinc/24/49/97/293244997.db2.gz QEJIMBITDKNPGT-DLOVCJGASA-N 2 0 253.415 2.538 10 0 CFAERP CCn1nccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000128275330 187361177 /nfs/dbraw/zinc/36/11/77/187361177.db2.gz BJLXNTIMUBIPSF-HNNXBMFYSA-N 2 0 299.422 2.540 10 0 CFAERP CCN1CCO[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000134438754 347898161 /nfs/dbraw/zinc/89/81/61/347898161.db2.gz LZSAXBIJJJMADK-KRWDZBQOSA-N 2 0 290.451 2.794 10 0 CFAERP C[NH+](C)CCOc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818677 179347440 /nfs/dbraw/zinc/34/74/40/179347440.db2.gz CMSLEMFGTPXODN-HNNXBMFYSA-N 2 0 291.439 2.523 10 0 CFAERP CCCC1CCN([C@]2(C[NH3+])CCC[N@H+](CC)CC2)CC1 ZINC000086848422 179356347 /nfs/dbraw/zinc/35/63/47/179356347.db2.gz UFQQZLSGHUGBMD-QGZVFWFLSA-N 2 0 281.488 2.702 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000086846986 179356473 /nfs/dbraw/zinc/35/64/73/179356473.db2.gz PPXCNIOXNIEPOY-INIZCTEOSA-N 2 0 295.496 2.772 10 0 CFAERP CCC(CC)CN(CC)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847809 179357179 /nfs/dbraw/zinc/35/71/79/179357179.db2.gz MROGXOFPGKABQO-QGZVFWFLSA-N 2 0 283.504 2.948 10 0 CFAERP CC(C)[N@@H+]1CCC[C@H](NCCC[NH+]2CCC(C)CC2)CC1 ZINC000086836689 179351576 /nfs/dbraw/zinc/35/15/76/179351576.db2.gz FYWMEVMWLHHTQV-SFHVURJKSA-N 2 0 295.515 2.961 10 0 CFAERP CC(C)CCOCC[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086843650 179353513 /nfs/dbraw/zinc/35/35/13/179353513.db2.gz VCAIRQXIQJQOPY-INIZCTEOSA-N 2 0 270.461 2.902 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N(C)CCC[NH+](C)C ZINC000104186986 185919613 /nfs/dbraw/zinc/91/96/13/185919613.db2.gz VFABYTTVMBWLIE-HIFRSBDPSA-N 2 0 283.485 2.718 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC[NH+](C)C ZINC000104201950 185929397 /nfs/dbraw/zinc/92/93/97/185929397.db2.gz OTWUSNMHQUNPOX-HUUCEWRRSA-N 2 0 283.847 2.612 10 0 CFAERP C[C@](C[NH3+])(CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000584636005 348697954 /nfs/dbraw/zinc/69/79/54/348697954.db2.gz KLQIXTRCUFYOIA-LJQANCHMSA-N 2 0 298.430 2.779 10 0 CFAERP [NH3+]C1(Cc2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000090587463 180009265 /nfs/dbraw/zinc/00/92/65/180009265.db2.gz XXVZBTFYWMJJCH-UHFFFAOYSA-N 2 0 259.180 2.617 10 0 CFAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000630074848 354997257 /nfs/dbraw/zinc/99/72/57/354997257.db2.gz BKSLMYVWQQXNHP-AAEUAGOBSA-N 2 0 252.789 2.675 10 0 CFAERP C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841350 355604050 /nfs/dbraw/zinc/60/40/50/355604050.db2.gz JOGNZWSXWXNJOI-PWSUYJOCSA-N 2 0 288.313 2.612 10 0 CFAERP C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000085636260 295974703 /nfs/dbraw/zinc/97/47/03/295974703.db2.gz XKKFLGRQKSGXDM-VGWMRTNUSA-N 2 0 280.456 2.512 10 0 CFAERP C[NH2+]CC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000261552037 283503496 /nfs/dbraw/zinc/50/34/96/283503496.db2.gz LRIHNXFIKRXGNJ-CYBMUJFWSA-N 2 0 260.372 2.743 10 0 CFAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390914345 540985799 /nfs/dbraw/zinc/98/57/99/540985799.db2.gz SDOBNXXDEYJYOG-NEPJUHHUSA-N 2 0 260.372 2.790 10 0 CFAERP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000180892152 189282238 /nfs/dbraw/zinc/28/22/38/189282238.db2.gz PJRAOTUMQZWAHZ-ZFWWWQNUSA-N 2 0 292.423 2.839 10 0 CFAERP Cc1cccc2c(NC[C@@H](C)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000301677272 201130857 /nfs/dbraw/zinc/13/08/57/201130857.db2.gz QIUUIHYWODCGIP-CQSZACIVSA-N 2 0 299.418 2.923 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000422981132 296145189 /nfs/dbraw/zinc/14/51/89/296145189.db2.gz NIQYCANPEGDONU-JCWGXCKPSA-N 2 0 262.441 2.789 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000400393380 296150182 /nfs/dbraw/zinc/15/01/82/296150182.db2.gz OQDBTHOEDHWXCI-UMNHJUIQSA-N 2 0 254.324 2.613 10 0 CFAERP c1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC000026443010 372319569 /nfs/dbraw/zinc/31/95/69/372319569.db2.gz CDRYOPMKSFZWPP-UHFFFAOYSA-N 2 0 258.409 2.898 10 0 CFAERP C[NH+](C)C[C@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000026992043 372333405 /nfs/dbraw/zinc/33/34/05/372333405.db2.gz MCPTUNSSWLWTGC-CWJHNBGESA-N 2 0 262.441 2.839 10 0 CFAERP c1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000112077216 375882259 /nfs/dbraw/zinc/88/22/59/375882259.db2.gz MLQZVSGSHSKSTR-CQSZACIVSA-N 2 0 267.376 2.909 10 0 CFAERP CCc1nccn1[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000119285057 376385398 /nfs/dbraw/zinc/38/53/98/376385398.db2.gz KYUIQRQSEQSKIN-OAHLLOKOSA-N 2 0 277.412 2.509 10 0 CFAERP Cc1ccsc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121109303 376761098 /nfs/dbraw/zinc/76/10/98/376761098.db2.gz WDRNJZKPZKVZFE-CQSZACIVSA-N 2 0 296.480 2.581 10 0 CFAERP CCN1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000335653020 379668792 /nfs/dbraw/zinc/66/87/92/379668792.db2.gz RDPXEDZUSTWXKW-OCCSQVGLSA-N 2 0 262.422 2.907 10 0 CFAERP CCN1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000335653021 379669178 /nfs/dbraw/zinc/66/91/78/379669178.db2.gz RDPXEDZUSTWXKW-TZMCWYRMSA-N 2 0 262.422 2.907 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400736967 380864700 /nfs/dbraw/zinc/86/47/00/380864700.db2.gz RXCFLXHIOADOMB-MELADBBJSA-N 2 0 262.397 2.652 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000400326256 380854625 /nfs/dbraw/zinc/85/46/25/380854625.db2.gz CKFWNQSTCZYAAY-VHSXEESVSA-N 2 0 258.818 2.532 10 0 CFAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000400393379 380856148 /nfs/dbraw/zinc/85/61/48/380856148.db2.gz OQDBTHOEDHWXCI-NHCYSSNCSA-N 2 0 254.324 2.613 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400437286 380859086 /nfs/dbraw/zinc/85/90/86/380859086.db2.gz NATLLYZOPXOELK-MDZLAQPJSA-N 2 0 252.789 2.989 10 0 CFAERP CC[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)CC(F)(F)F ZINC000402633029 380888569 /nfs/dbraw/zinc/88/85/69/380888569.db2.gz YTBMPCMCVMBUCX-QWRGUYRKSA-N 2 0 252.324 2.697 10 0 CFAERP CC[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)CC(F)(F)F ZINC000402633031 380889732 /nfs/dbraw/zinc/88/97/32/380889732.db2.gz YTBMPCMCVMBUCX-WDEREUQCSA-N 2 0 252.324 2.697 10 0 CFAERP O[C@@H](C[NH2+]CCCC1CCCCC1)C[NH+]1CCCCC1 ZINC000347879451 381397553 /nfs/dbraw/zinc/39/75/53/381397553.db2.gz OBLPUUSEOHIWBN-KRWDZBQOSA-N 2 0 282.472 2.783 10 0 CFAERP CC(C)CC[N@@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328605796 382553337 /nfs/dbraw/zinc/55/33/37/382553337.db2.gz PEKFECUAQKDAKC-INIZCTEOSA-N 2 0 261.413 2.539 10 0 CFAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)C1CCCCC1 ZINC000386079406 382582257 /nfs/dbraw/zinc/58/22/57/382582257.db2.gz BOCUVUBUSYYCFE-OIISXLGYSA-N 2 0 282.472 2.828 10 0 CFAERP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000191504010 382701165 /nfs/dbraw/zinc/70/11/65/382701165.db2.gz UYASUCUWDGOTBR-MRXNPFEDSA-N 2 0 290.455 2.547 10 0 CFAERP COc1ccc([C@H]([NH3+])CCCC[NH3+])cc1Br ZINC000575438893 382771365 /nfs/dbraw/zinc/77/13/65/382771365.db2.gz FKIWUTKQQDEKQM-LLVKDONJSA-N 2 0 287.201 2.587 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000575440108 382771752 /nfs/dbraw/zinc/77/17/52/382771752.db2.gz VDSCCVZPOPXDSE-LLVKDONJSA-N 2 0 275.165 2.717 10 0 CFAERP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]c4ccccc43)C[C@@H]21 ZINC000230134421 382855881 /nfs/dbraw/zinc/85/58/81/382855881.db2.gz RTVNQMDDFIHPIN-AEGPPILISA-N 2 0 267.376 2.798 10 0 CFAERP CC(C)c1nc(CN(C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000231460982 382864753 /nfs/dbraw/zinc/86/47/53/382864753.db2.gz VNBCAZWLPVNBGP-CYBMUJFWSA-N 2 0 267.442 2.840 10 0 CFAERP C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235457964 382882596 /nfs/dbraw/zinc/88/25/96/382882596.db2.gz KBKTVBFHYCIDNB-UKRRQHHQSA-N 2 0 264.388 2.688 10 0 CFAERP CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000245937344 383051151 /nfs/dbraw/zinc/05/11/51/383051151.db2.gz UFLMPWKHVAWVAX-GRDNDAEWSA-N 2 0 276.424 2.558 10 0 CFAERP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000247136973 383147684 /nfs/dbraw/zinc/14/76/84/383147684.db2.gz QQXGQJOHLXCZJI-BPQIPLTHSA-N 2 0 290.451 2.562 10 0 CFAERP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250848281 383381439 /nfs/dbraw/zinc/38/14/39/383381439.db2.gz KIVWWUVGGLYXMP-ZOBUZTSGSA-N 2 0 256.393 2.890 10 0 CFAERP CC1(C)Cc2cccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2O1 ZINC000261631504 383532421 /nfs/dbraw/zinc/53/24/21/383532421.db2.gz HSKIFPYNKNHKAW-BPUTZDHNSA-N 2 0 286.419 2.569 10 0 CFAERP CCc1oc2ccccc2c1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261936382 383582631 /nfs/dbraw/zinc/58/26/31/383582631.db2.gz DGURJKCFYMDNSK-SMDDNHRTSA-N 2 0 258.365 2.774 10 0 CFAERP Cc1ccncc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261940714 383583004 /nfs/dbraw/zinc/58/30/04/383583004.db2.gz MQPMWVYRNQXWNT-AEFFLSMTSA-N 2 0 281.403 2.564 10 0 CFAERP C[N@H+](CCSCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262014831 383594661 /nfs/dbraw/zinc/59/46/61/383594661.db2.gz VMPLVQQNFBNADS-INIZCTEOSA-N 2 0 278.465 2.994 10 0 CFAERP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034512 383597586 /nfs/dbraw/zinc/59/75/86/383597586.db2.gz OKNWPXKSTDQONM-OAGGEKHMSA-N 2 0 280.456 2.656 10 0 CFAERP CC[N@H+](Cc1ccc(C)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000261762756 383555322 /nfs/dbraw/zinc/55/53/22/383555322.db2.gz DDZQWQSCJLQGAT-INIZCTEOSA-N 2 0 276.424 2.968 10 0 CFAERP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261776377 383558698 /nfs/dbraw/zinc/55/86/98/383558698.db2.gz PEZIXARNVRFDPK-USXIJHARSA-N 2 0 274.408 2.643 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC000261780985 383559665 /nfs/dbraw/zinc/55/96/65/383559665.db2.gz PNQMIGKIMLAJCP-SCDSUCTJSA-N 2 0 284.325 2.875 10 0 CFAERP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000262668163 383633839 /nfs/dbraw/zinc/63/38/39/383633839.db2.gz LQOJZJRERYHFAX-RDJZCZTQSA-N 2 0 297.487 2.521 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312435226 393522331 /nfs/dbraw/zinc/52/23/31/393522331.db2.gz ILQLYJNEXPBNQM-JKIFEVAISA-N 2 0 276.424 2.981 10 0 CFAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCC3(F)F)C[C@@H]21 ZINC000381586072 393564916 /nfs/dbraw/zinc/56/49/16/393564916.db2.gz CPMKBJZZURACJJ-YIYPIFLZSA-N 2 0 272.383 2.871 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381668272 393565857 /nfs/dbraw/zinc/56/58/57/393565857.db2.gz KSQHKVXLXOIRKJ-CHWSQXEVSA-N 2 0 260.372 2.743 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000400326255 393600900 /nfs/dbraw/zinc/60/09/00/393600900.db2.gz CKFWNQSTCZYAAY-UWVGGRQHSA-N 2 0 258.818 2.532 10 0 CFAERP C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)[C@@H]1CC[NH2+]C1 ZINC000400384091 393601568 /nfs/dbraw/zinc/60/15/68/393601568.db2.gz XTEKYFPNARLMGH-WDMOLILDSA-N 2 0 280.412 2.950 10 0 CFAERP [NH3+]C1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000051692772 393617201 /nfs/dbraw/zinc/61/72/01/393617201.db2.gz PNEJKUUZYHZXDK-ABHNRTSZSA-N 2 0 287.451 2.511 10 0 CFAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CC1 ZINC000095090643 393811504 /nfs/dbraw/zinc/81/15/04/393811504.db2.gz LOJCVJUJPDNHRV-VMZNBEPHSA-N 2 0 258.409 2.895 10 0 CFAERP Cc1cnccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000121485246 393956652 /nfs/dbraw/zinc/95/66/52/393956652.db2.gz TVRQHXMGVCXNRA-CQSZACIVSA-N 2 0 290.411 2.632 10 0 CFAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000086846464 135048354 /nfs/dbraw/zinc/04/83/54/135048354.db2.gz AKQNJCNTGYUEOU-GOSISDBHSA-N 2 0 287.451 2.643 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)C1CC[NH+](C)CC1 ZINC000390597428 543105666 /nfs/dbraw/zinc/10/56/66/543105666.db2.gz UKIUDUOIAAYUNS-JKSUJKDBSA-N 2 0 290.451 2.912 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCCCC[NH3+] ZINC000019433058 170798313 /nfs/dbraw/zinc/79/83/13/170798313.db2.gz FNXCAFGSYYEPJI-OAHLLOKOSA-N 2 0 285.476 2.522 10 0 CFAERP CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365662 171164257 /nfs/dbraw/zinc/16/42/57/171164257.db2.gz GWCBGDQJZBYHNG-HOTGVXAUSA-N 2 0 299.503 2.781 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000020365690 171164401 /nfs/dbraw/zinc/16/44/01/171164401.db2.gz QBLMMGYJBITTLZ-CABCVRRESA-N 2 0 299.503 2.780 10 0 CFAERP CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022153885 171360869 /nfs/dbraw/zinc/36/08/69/171360869.db2.gz VGOOTXNWYAPONH-ZDUSSCGKSA-N 2 0 277.412 2.594 10 0 CFAERP C[C@@H]1CCC[N@H+](CCCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022156191 171362568 /nfs/dbraw/zinc/36/25/68/171362568.db2.gz GGONSDHSHMDWNR-CQSZACIVSA-N 2 0 289.423 2.596 10 0 CFAERP CCCc1ccc([C@H]([NH3+])CN(C)C2CC[NH+](C)CC2)cc1 ZINC000022564781 171391641 /nfs/dbraw/zinc/39/16/41/171391641.db2.gz SSCKVFADUOGIHQ-GOSISDBHSA-N 2 0 289.467 2.665 10 0 CFAERP C[C@H]([NH3+])c1ccc2ccccc2c1OCC[NH+](C)C ZINC000035427347 172194708 /nfs/dbraw/zinc/19/47/08/172194708.db2.gz SRVOIHHCXVTBSC-LBPRGKRZSA-N 2 0 258.365 2.800 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]CCc2ccco2)CC1 ZINC000035661422 172339544 /nfs/dbraw/zinc/33/95/44/172339544.db2.gz GNVFIRBWOFIIIU-ZDUSSCGKSA-N 2 0 250.386 2.532 10 0 CFAERP CC[C@H](C)C[N@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000037172387 173005932 /nfs/dbraw/zinc/00/59/32/173005932.db2.gz DOUZJNSTIRYDCZ-AWEZNQCLSA-N 2 0 264.413 2.545 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccncc2)C1 ZINC000037221164 173040205 /nfs/dbraw/zinc/04/02/05/173040205.db2.gz FEFPCKRFBMESDW-GDBMZVCRSA-N 2 0 261.413 2.682 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221784 173042091 /nfs/dbraw/zinc/04/20/91/173042091.db2.gz CMEMMUUDRMHXAN-QXSJWSMHSA-N 2 0 268.445 2.654 10 0 CFAERP [NH3+]CCC[N@H+](Cc1cccc2cccnc21)C1CC1 ZINC000037299628 173103754 /nfs/dbraw/zinc/10/37/54/173103754.db2.gz KDLDDNWPZAGKIV-UHFFFAOYSA-N 2 0 255.365 2.548 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000037853175 173805055 /nfs/dbraw/zinc/80/50/55/173805055.db2.gz JPYQLRZHQRPDAF-DOTOQJQBSA-N 2 0 278.440 2.820 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)CC1 ZINC000038009601 173975384 /nfs/dbraw/zinc/97/53/84/173975384.db2.gz VKRMMQYBJXMTSC-WMLDXEAASA-N 2 0 288.435 2.700 10 0 CFAERP CC(C)Oc1cccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC000038041086 174040898 /nfs/dbraw/zinc/04/08/98/174040898.db2.gz JOCJPADTTUDRBM-CYBMUJFWSA-N 2 0 262.397 2.876 10 0 CFAERP C[C@H](Cc1ccccc1Cl)[NH2+]C1CC[NH2+]CC1 ZINC000038040935 174041426 /nfs/dbraw/zinc/04/14/26/174041426.db2.gz QFUGRCDZDRLSNK-LLVKDONJSA-N 2 0 252.789 2.613 10 0 CFAERP CCCCOCC[NH2+][C@@H](C)C1CC[NH+](CCC)CC1 ZINC000040506741 174302165 /nfs/dbraw/zinc/30/21/65/174302165.db2.gz KFMYQQHQAHRGSL-HNNXBMFYSA-N 2 0 270.461 2.903 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cc(C)ccc2OC)C1 ZINC000040592536 174347616 /nfs/dbraw/zinc/34/76/16/174347616.db2.gz YBYOYVLFNIDRCI-LSDHHAIUSA-N 2 0 276.424 2.996 10 0 CFAERP COC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040622477 174355066 /nfs/dbraw/zinc/35/50/66/174355066.db2.gz BWUHNPYTBQLFAP-KBPBESRZSA-N 2 0 256.434 2.510 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040622569 174355403 /nfs/dbraw/zinc/35/54/03/174355403.db2.gz ZILSVIPOLSUWPY-IRXDYDNUSA-N 3 0 295.515 2.817 10 0 CFAERP CC[N@H+](CCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748220 174393128 /nfs/dbraw/zinc/39/31/28/174393128.db2.gz VTIHDXUKKNIURG-XYPWUTKMSA-N 2 0 292.398 2.809 10 0 CFAERP COc1ccc([C@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040749380 174393842 /nfs/dbraw/zinc/39/38/42/174393842.db2.gz JFBWWFGIPHZFIW-HLVVYCRESA-N 2 0 278.371 2.849 10 0 CFAERP COc1ccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(OC)c1 ZINC000040749399 174393933 /nfs/dbraw/zinc/39/39/33/174393933.db2.gz YLEHWNQTFZDPKO-FUDCBSFHSA-N 2 0 290.407 2.719 10 0 CFAERP CCC[N@H+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748699 174394075 /nfs/dbraw/zinc/39/40/75/174394075.db2.gz IILUJTDIRHOPRI-SJPCQFCGSA-N 2 0 273.424 2.619 10 0 CFAERP CC[NH+](CC)CCCNC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000041710907 174613065 /nfs/dbraw/zinc/61/30/65/174613065.db2.gz UMXBLROJLIZREA-ZDUSSCGKSA-N 2 0 292.427 2.560 10 0 CFAERP C[C@H]([NH3+])[C@H](c1ccsc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043123325 174976154 /nfs/dbraw/zinc/97/61/54/174976154.db2.gz LOOQFYQCPSVFPO-GXTWGEPZSA-N 2 0 281.469 2.553 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043364756 175025543 /nfs/dbraw/zinc/02/55/43/175025543.db2.gz YATSNJFDUAGKNQ-HOCLYGCPSA-N 2 0 293.455 2.783 10 0 CFAERP CN([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000043390142 175033505 /nfs/dbraw/zinc/03/35/05/175033505.db2.gz AIVDGXDFCXFFSZ-HNNXBMFYSA-N 2 0 299.821 2.505 10 0 CFAERP CC(C)[NH+]1CCN([C@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390351 175033885 /nfs/dbraw/zinc/03/38/85/175033885.db2.gz ZPHCUOUCMACACS-OAHLLOKOSA-N 2 0 299.821 2.505 10 0 CFAERP CCCC[C@@H](CC)C[NH+]1CCN(CCCCC[NH3+])CC1 ZINC000043454541 175050202 /nfs/dbraw/zinc/05/02/02/175050202.db2.gz ZXVJOMTZGBFUHP-QGZVFWFLSA-N 2 0 283.504 2.949 10 0 CFAERP CC[NH+]1CCN([C@H](C(C)C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805811 175107696 /nfs/dbraw/zinc/10/76/96/175107696.db2.gz HBQGVXYGUAAFKR-ZWKOTPCHSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805641 175107877 /nfs/dbraw/zinc/10/78/77/175107877.db2.gz GCOOCAHZPYUIFW-SQNIBIBYSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH+]1CCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805306 175107910 /nfs/dbraw/zinc/10/79/10/175107910.db2.gz RVKSIFYZYIZAQD-YESZJQIVSA-N 2 0 295.515 2.817 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@H](CC)N1CC[NH+](CC)CC1 ZINC000043806105 175108292 /nfs/dbraw/zinc/10/82/92/175108292.db2.gz NGIZCAHXXSJKNE-ZWKOTPCHSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1ccc(C)cc1C ZINC000043806055 175108329 /nfs/dbraw/zinc/10/83/29/175108329.db2.gz NYKBDQVRJLJHND-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806028 175108663 /nfs/dbraw/zinc/10/86/63/175108663.db2.gz OFEPYTKDKVLDHZ-ZACQAIPSSA-N 2 0 295.515 2.817 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000043807530 175108684 /nfs/dbraw/zinc/10/86/84/175108684.db2.gz MYTMNSPZPQFXPA-CYBMUJFWSA-N 2 0 262.397 2.962 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818453 175112778 /nfs/dbraw/zinc/11/27/78/175112778.db2.gz UHRXGCZORFLPFL-ZWKOTPCHSA-N 2 0 289.467 2.753 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+]C)cc1C[N@H+](C)C1CC1 ZINC000043822939 175114494 /nfs/dbraw/zinc/11/44/94/175114494.db2.gz WCVSHVRDANKZPL-LBPRGKRZSA-N 2 0 262.397 2.960 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888992 175117585 /nfs/dbraw/zinc/11/75/85/175117585.db2.gz VQZHMAUTSGPQDZ-JYJNAYRXSA-N 2 0 298.471 2.771 10 0 CFAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1cc(C)ccc1C ZINC000043897312 175119916 /nfs/dbraw/zinc/11/99/16/175119916.db2.gz QHBGCDHGDPSZQA-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897317 175120180 /nfs/dbraw/zinc/12/01/80/175120180.db2.gz BSPHOQCBTMWZNB-QAPCUYQASA-N 2 0 289.467 2.670 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897151 175120201 /nfs/dbraw/zinc/12/02/01/175120201.db2.gz RMGRGMVKVUJHJF-BBWFWOEESA-N 2 0 281.488 2.569 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897408 175120690 /nfs/dbraw/zinc/12/06/90/175120690.db2.gz NBZDPYPMTPMFPT-MAUKXSAKSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000043897401 175120775 /nfs/dbraw/zinc/12/07/75/175120775.db2.gz SYBPYVWWWMMAJU-SFHVURJKSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@H]1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907857 175123500 /nfs/dbraw/zinc/12/35/00/175123500.db2.gz CLCWOSJHBRHVJV-ZWKOTPCHSA-N 2 0 293.499 2.857 10 0 CFAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965565 175126973 /nfs/dbraw/zinc/12/69/73/175126973.db2.gz OQNUOIBDTQHFFQ-JYJNAYRXSA-N 2 0 281.488 2.569 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000043965993 175127283 /nfs/dbraw/zinc/12/72/83/175127283.db2.gz NXRQBVZTJRPBME-CJNGLKHVSA-N 2 0 292.423 2.586 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967998 175128953 /nfs/dbraw/zinc/12/89/53/175128953.db2.gz YLIPMSVPPWMKJB-ZWKOTPCHSA-N 2 0 293.499 2.715 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967663 175129122 /nfs/dbraw/zinc/12/91/22/175129122.db2.gz FNHSDOQPAUSLIB-QAPCUYQASA-N 2 0 287.451 2.506 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000043967754 175129371 /nfs/dbraw/zinc/12/93/71/175129371.db2.gz CWXYAPKIEWZJRB-GOSISDBHSA-N 2 0 287.451 2.507 10 0 CFAERP CCC[C@H]([NH2+]C)[C@@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000043978112 175133571 /nfs/dbraw/zinc/13/35/71/175133571.db2.gz QRQWVALVGYGAMM-JKSUJKDBSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977476 175133590 /nfs/dbraw/zinc/13/35/90/175133590.db2.gz RUGBGVFORSTBTC-NUEKZKHPSA-N 2 0 270.461 2.900 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982385 175134224 /nfs/dbraw/zinc/13/42/24/175134224.db2.gz BTFSFFSRDPSLTC-IRXDYDNUSA-N 2 0 283.504 2.817 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N(CC[NH+](C)C)CC(C)C ZINC000043982082 175134289 /nfs/dbraw/zinc/13/42/89/175134289.db2.gz RIKQQQGEPPUMAK-HZPDHXFCSA-N 2 0 271.493 2.673 10 0 CFAERP C[NH+]1CCC(CNC2=[NH+]C[C@H](c3ccccc3)S2)CC1 ZINC000044526495 175191564 /nfs/dbraw/zinc/19/15/64/175191564.db2.gz SIPOIJAMRBMNLB-OAHLLOKOSA-N 2 0 289.448 2.762 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCCOC)C1 ZINC000044656967 175225636 /nfs/dbraw/zinc/22/56/36/175225636.db2.gz QDTCCZDEAGVAAE-CABCVRRESA-N 2 0 256.434 2.513 10 0 CFAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747607 175243024 /nfs/dbraw/zinc/24/30/24/175243024.db2.gz SNIRXOMNRPHZLK-SUMWQHHRSA-N 2 0 274.408 2.701 10 0 CFAERP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073396 175302893 /nfs/dbraw/zinc/30/28/93/175302893.db2.gz DCWOCMPKBJMCPL-GVDBMIGSSA-N 2 0 280.456 2.798 10 0 CFAERP CCC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045385906 175371958 /nfs/dbraw/zinc/37/19/58/175371958.db2.gz FXHIQBODJQOMNW-MRXNPFEDSA-N 2 0 285.476 2.519 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374520 175534383 /nfs/dbraw/zinc/53/43/83/175534383.db2.gz FXKYJTQOZPEGKJ-IRXDYDNUSA-N 2 0 274.408 2.548 10 0 CFAERP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000071142458 176040227 /nfs/dbraw/zinc/04/02/27/176040227.db2.gz VOBLQGVWORZWRK-CYBMUJFWSA-N 2 0 257.381 2.518 10 0 CFAERP C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071190403 176067239 /nfs/dbraw/zinc/06/72/39/176067239.db2.gz HBOAKXYBWPAQLU-ZDUSSCGKSA-N 2 0 297.240 2.833 10 0 CFAERP [NH3+][C@@H](c1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000071616041 176235007 /nfs/dbraw/zinc/23/50/07/176235007.db2.gz DMNQOFWYONZGDP-SNVBAGLBSA-N 2 0 275.215 2.510 10 0 CFAERP Clc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398371136 270321684 /nfs/dbraw/zinc/32/16/84/270321684.db2.gz QSOHPIWFKAKTNY-SECBINFHSA-N 2 0 259.180 2.693 10 0 CFAERP C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@@]1(C)C[NH3+] ZINC000312013111 274359809 /nfs/dbraw/zinc/35/98/09/274359809.db2.gz SJLOAQXVUMPXBH-XFBWCDHKSA-N 2 0 262.372 2.730 10 0 CFAERP Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2[nH+]1 ZINC000174684793 274718839 /nfs/dbraw/zinc/71/88/39/274718839.db2.gz WCOGYUQZUSEIIV-OAHLLOKOSA-N 2 0 299.418 2.802 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@H](CC[NH3+])C2)c1Cl ZINC000261558819 279164827 /nfs/dbraw/zinc/16/48/27/279164827.db2.gz SRTPUEIZXWOIKS-LLVKDONJSA-N 2 0 253.777 2.609 10 0 CFAERP Cc1ccc2[nH+]ccc(N3CCC(C[NH3+])CC3)c2c1 ZINC000073738638 281169123 /nfs/dbraw/zinc/16/91/23/281169123.db2.gz LYSPBEWLTNVBRA-UHFFFAOYSA-N 2 0 255.365 2.718 10 0 CFAERP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000394019052 281193978 /nfs/dbraw/zinc/19/39/78/281193978.db2.gz HTGXFBFSSRSUIA-KBRIMQKVSA-N 2 0 258.409 2.981 10 0 CFAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000262003833 298877602 /nfs/dbraw/zinc/87/76/02/298877602.db2.gz QRPLXKAECWTDDN-WCVJEAGWSA-N 2 0 268.445 2.844 10 0 CFAERP CC(C)C[NH2+]CCCCC[N@H+](CCN(C)C)CC(C)C ZINC000052503382 519743256 /nfs/dbraw/zinc/74/32/56/519743256.db2.gz UHBQIMDXLBRHKM-UHFFFAOYSA-N 2 0 285.520 2.922 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182769 519912659 /nfs/dbraw/zinc/91/26/59/519912659.db2.gz OGEZMBMAPXBTMC-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC)[C@H](C)COC)CCCCC1 ZINC000051250803 519913069 /nfs/dbraw/zinc/91/30/69/519913069.db2.gz FTNUDPMYYMFLDV-OAHLLOKOSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420854 519941108 /nfs/dbraw/zinc/94/11/08/519941108.db2.gz RHOLBUAXNHWQNS-QKPAOTATSA-N 2 0 268.445 2.512 10 0 CFAERP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+](CCO)C(CC)CC ZINC000053876949 520094361 /nfs/dbraw/zinc/09/43/61/520094361.db2.gz KDDKFQKMYOYWLV-HOCLYGCPSA-N 2 0 270.461 2.638 10 0 CFAERP CCC(CC)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181724 521542276 /nfs/dbraw/zinc/54/22/76/521542276.db2.gz LROPEMWYYMYBDG-UHFFFAOYSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052544083 521566146 /nfs/dbraw/zinc/56/61/46/521566146.db2.gz OCGGEJGUSJJAEI-AWEZNQCLSA-N 2 0 269.477 2.569 10 0 CFAERP CC(C)(C)[NH2+]CC1(C[NH+]2CCCCC2)CCOCC1 ZINC000052180896 518752332 /nfs/dbraw/zinc/75/23/32/518752332.db2.gz ZDJSNJQPLKZKTF-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457393 519724099 /nfs/dbraw/zinc/72/40/99/519724099.db2.gz XVANJICQIABFPW-LSDHHAIUSA-N 2 0 282.453 2.726 10 0 CFAERP CC(C)[NH2+]C[C@H](c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052419949 519724787 /nfs/dbraw/zinc/72/47/87/519724787.db2.gz YNDBIELOLOCLAP-GOSISDBHSA-N 2 0 289.467 2.752 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419173 519725607 /nfs/dbraw/zinc/72/56/07/519725607.db2.gz YXWBVOHVKNDUMR-QZTJIDSGSA-N 2 0 288.435 2.590 10 0 CFAERP CC(C)C[NH+]1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000055076810 519728327 /nfs/dbraw/zinc/72/83/27/519728327.db2.gz QCPMFKAZYRFJHX-UHFFFAOYSA-N 2 0 281.831 2.577 10 0 CFAERP CC(C)c1ccc([C@@H](C[NH3+])N2CC[NH+](C3CC3)CC2)cc1 ZINC000048991581 519839280 /nfs/dbraw/zinc/83/92/80/519839280.db2.gz JVWQADPIQXZJIL-GOSISDBHSA-N 2 0 287.451 2.590 10 0 CFAERP CC(C)c1ccc([C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049557346 519839295 /nfs/dbraw/zinc/83/92/95/519839295.db2.gz XUNOLCPFHCTPEB-PBHICJAKSA-N 2 0 278.440 2.773 10 0 CFAERP CCC[NH+]1CCN(Cc2cc(C)c(C[NH2+]C(C)C)o2)CC1 ZINC000052422139 519858460 /nfs/dbraw/zinc/85/84/60/519858460.db2.gz CPZOZCDQSXCPTK-UHFFFAOYSA-N 2 0 293.455 2.614 10 0 CFAERP CCCC1CCC([NH2+]C[C@H](O)C[NH+](CC)CC)CC1 ZINC000049545241 519898718 /nfs/dbraw/zinc/89/87/18/519898718.db2.gz HMTHAIPGMPHLJT-GPANFISMSA-N 2 0 270.461 2.638 10 0 CFAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCCO1 ZINC000054628719 519908818 /nfs/dbraw/zinc/90/88/18/519908818.db2.gz ZDFUTOAISDEMPA-UYTSQGDYSA-N 2 0 266.429 2.551 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC)[C@H](C)CC)CCOCC1 ZINC000052181382 519910272 /nfs/dbraw/zinc/91/02/72/519910272.db2.gz YDIDBLXKGZIHLY-OAHLLOKOSA-N 2 0 270.461 2.903 10 0 CFAERP CC[NH2+]CCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000052417339 519918978 /nfs/dbraw/zinc/91/89/78/519918978.db2.gz BQVWCUARAACWTO-UHFFFAOYSA-N 2 0 275.440 2.588 10 0 CFAERP CCC[NH2+]C[C@@](C)(CC)C[NH+]1CCC(OC)CC1 ZINC000051216291 519930403 /nfs/dbraw/zinc/93/04/03/519930403.db2.gz BBNMOMFZXWQDJD-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H](C)CC)O1 ZINC000052454363 519938021 /nfs/dbraw/zinc/93/80/21/519938021.db2.gz NDKBPCPQYHNBLD-RRFJBIMHSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH2+]Cc1cccc(CN2CC[NH+](CCC)CC2)c1 ZINC000052421826 519953745 /nfs/dbraw/zinc/95/37/45/519953745.db2.gz WNBRJDJRQDSARK-UHFFFAOYSA-N 2 0 289.467 2.714 10 0 CFAERP CCC[NH2+]Cc1cccc(OCC[N@H+](C)C(C)C)c1 ZINC000052419594 519955216 /nfs/dbraw/zinc/95/52/16/519955216.db2.gz YCFFURHSVNIANI-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCC[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380885 519957488 /nfs/dbraw/zinc/95/74/88/519957488.db2.gz DTZGWDYHBUICAY-GASCZTMLSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+][C@@H](C)c1ccc(F)cc1OCC[NH+](C)C ZINC000062747448 519989040 /nfs/dbraw/zinc/98/90/40/519989040.db2.gz TVOAQCNFUCNMBS-LBPRGKRZSA-N 2 0 268.376 2.827 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C(C)(C)CC)OCCO2 ZINC000069431420 520020955 /nfs/dbraw/zinc/02/09/55/520020955.db2.gz LUZBAUOTWHWHNR-CABCVRRESA-N 2 0 298.471 2.771 10 0 CFAERP CC[NH2+]Cc1oc(C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000052381694 520028324 /nfs/dbraw/zinc/02/83/24/520028324.db2.gz IOWBYTLVYQRXTP-GFCCVEGCSA-N 2 0 250.386 2.929 10 0 CFAERP CC[NH2+][C@@H](C)CCCC[N@H+](CCOC)CC(C)C ZINC000045602554 520070692 /nfs/dbraw/zinc/07/06/92/520070692.db2.gz WRGXDLSOVUJVIP-HNNXBMFYSA-N 2 0 258.450 2.759 10 0 CFAERP CCC[NH2+][C@](C)(CCC[NH+]1CCC(CCC)CC1)C(N)=O ZINC000050905790 520106202 /nfs/dbraw/zinc/10/62/02/520106202.db2.gz ZZQSBZJWQPDRNJ-QGZVFWFLSA-N 2 0 297.487 2.522 10 0 CFAERP CCCCC[N@H+](C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181467 520148727 /nfs/dbraw/zinc/14/87/27/520148727.db2.gz KWUSBLNFVXASCT-UHFFFAOYSA-N 2 0 256.434 2.515 10 0 CFAERP CCCO[C@H]1CCC[N@H+](CCCC[NH2+]CC(C)C)C1 ZINC000052371484 520285211 /nfs/dbraw/zinc/28/52/11/520285211.db2.gz JVXAFKCHTVQJQA-INIZCTEOSA-N 2 0 270.461 2.903 10 0 CFAERP CC1(C)CC[NH+](CCOc2ccccc2C[NH3+])CC1 ZINC000061818708 520377324 /nfs/dbraw/zinc/37/73/24/520377324.db2.gz LJLOJFMTOHCDGF-UHFFFAOYSA-N 2 0 262.397 2.646 10 0 CFAERP CC[N@H+](CC(C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181226 520412876 /nfs/dbraw/zinc/41/28/76/520412876.db2.gz RDBUEWDDMSGHTI-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP CCCC[NH+](CCCC)CC1(C[NH3+])CCOCC1 ZINC000052181170 520494497 /nfs/dbraw/zinc/49/44/97/520494497.db2.gz HUSVBAUFAZDDDE-UHFFFAOYSA-N 2 0 256.434 2.644 10 0 CFAERP CCCC[NH+](CCCC)C[C@@H]1CC[C@@H](C[NH2+]C)O1 ZINC000052443628 520496938 /nfs/dbraw/zinc/49/69/38/520496938.db2.gz WSBGYWNCUMHIOH-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CCCC[NH+](CCCC)C[C@H]1CC[C@H](C[NH2+]C)O1 ZINC000052443627 520497159 /nfs/dbraw/zinc/49/71/59/520497159.db2.gz WSBGYWNCUMHIOH-HUUCEWRRSA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000049332300 520630765 /nfs/dbraw/zinc/63/07/65/520630765.db2.gz HTAPRAAPFPHIOI-MRXNPFEDSA-N 3 0 269.477 2.572 10 0 CFAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085364159 520757745 /nfs/dbraw/zinc/75/77/45/520757745.db2.gz MSOVLUMHLJNJEN-HOTGVXAUSA-N 2 0 289.423 2.594 10 0 CFAERP CC[N@H+](CC1CC1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000069262862 520958584 /nfs/dbraw/zinc/95/85/84/520958584.db2.gz BXXBPYQUKZJIOG-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(N)c1 ZINC000049333173 521014891 /nfs/dbraw/zinc/01/48/91/521014891.db2.gz DYAHPZXSSUGDHL-UHFFFAOYSA-N 2 0 261.413 2.577 10 0 CFAERP CC[N@H+](CCOc1ccc(C[NH2+]C)cc1)CC(C)C ZINC000052449712 521149222 /nfs/dbraw/zinc/14/92/22/521149222.db2.gz JWUJWOBYQYTACT-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000151243903 521159595 /nfs/dbraw/zinc/15/95/95/521159595.db2.gz RYJBDOHFBUTTPU-MSOLQXFVSA-N 2 0 290.451 2.964 10 0 CFAERP CC[N@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)C1CC1 ZINC000052451993 521289091 /nfs/dbraw/zinc/28/90/91/521289091.db2.gz ZHDXXWKOAHHWDU-UHFFFAOYSA-N 2 0 251.374 2.547 10 0 CFAERP CCC[N@H+](C)CCOc1ccccc1C[NH2+]CC ZINC000052444494 521484107 /nfs/dbraw/zinc/48/41/07/521484107.db2.gz PERICJSDCPAVMH-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050579139 521567109 /nfs/dbraw/zinc/56/71/09/521567109.db2.gz HCTHWUYNVGMYQH-QGZVFWFLSA-N 2 0 293.430 2.550 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)CSC)CC1 ZINC000069437914 521585333 /nfs/dbraw/zinc/58/53/33/521585333.db2.gz FKUVLCRLZRLIEG-OLZOCXBDSA-N 2 0 258.475 2.696 10 0 CFAERP CCC[NH+](CCC)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052416858 521648073 /nfs/dbraw/zinc/64/80/73/521648073.db2.gz KVHBUVSCYPGENS-CABCVRRESA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH+](CCC)C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052416859 521648180 /nfs/dbraw/zinc/64/81/80/521648180.db2.gz KVHBUVSCYPGENS-HUUCEWRRSA-N 2 0 256.434 2.654 10 0 CFAERP CCCN(CC[NH+](C)C)c1ccccc1C[NH2+]C1CC1 ZINC000045701600 521658726 /nfs/dbraw/zinc/65/87/26/521658726.db2.gz CXWKZABODALFPZ-UHFFFAOYSA-N 2 0 275.440 2.717 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)Cc2ccc(Cl)cc2)CCOCC1 ZINC000052197870 521966933 /nfs/dbraw/zinc/96/69/33/521966933.db2.gz YXWVKJVEKIPCOS-UHFFFAOYSA-N 2 0 296.842 2.788 10 0 CFAERP CC[C@@H](C)C[N@H+](C)CCOc1ccccc1C[NH2+]C ZINC000052454107 521970959 /nfs/dbraw/zinc/97/09/59/521970959.db2.gz WDIIPOGDVWDPQN-CQSZACIVSA-N 2 0 264.413 2.763 10 0 CFAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443476 522000389 /nfs/dbraw/zinc/00/03/89/522000389.db2.gz DHIALLYVQZEVMV-AWEZNQCLSA-N 2 0 295.858 2.850 10 0 CFAERP C[NH2+]Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000052420869 522107861 /nfs/dbraw/zinc/10/78/61/522107861.db2.gz XDCKUFAJXSTZOJ-TXEJJXNPSA-N 2 0 250.386 2.785 10 0 CFAERP C[NH2+]Cc1occc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000052424639 522164264 /nfs/dbraw/zinc/16/42/64/522164264.db2.gz JKCQPCMMLLOOQV-UHFFFAOYSA-N 2 0 258.365 2.939 10 0 CFAERP COC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052511476 522218593 /nfs/dbraw/zinc/21/85/93/522218593.db2.gz XZQKMTUUGJQHMO-GFCCVEGCSA-N 2 0 268.401 2.553 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049331885 522449750 /nfs/dbraw/zinc/44/97/50/522449750.db2.gz VBHNTTNOEJNHQP-CQSZACIVSA-N 2 0 262.397 2.832 10 0 CFAERP COC1CC[NH+]([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052455359 522708299 /nfs/dbraw/zinc/70/82/99/522708299.db2.gz RWMRZDVOABPDFP-CYBMUJFWSA-N 2 0 256.434 2.654 10 0 CFAERP COCc1cccc(C[NH2+]CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000052205684 523053158 /nfs/dbraw/zinc/05/31/58/523053158.db2.gz QIDGEOMOOZKDQR-QGZVFWFLSA-N 2 0 276.424 2.797 10 0 CFAERP CCn1cc(C[N@H+](CCC[NH3+])C2CCCCCC2)cn1 ZINC000050539177 523365400 /nfs/dbraw/zinc/36/54/00/523365400.db2.gz GMRGFTXLWVLITR-UHFFFAOYSA-N 2 0 278.444 2.777 10 0 CFAERP CCn1cc[nH+]c1NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000050614144 523550888 /nfs/dbraw/zinc/55/08/88/523550888.db2.gz BSVGVUJPHZABMV-DZGCQCFKSA-N 2 0 264.417 2.825 10 0 CFAERP CN(Cc1occc1C[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419818 523616968 /nfs/dbraw/zinc/61/69/68/523616968.db2.gz YLNUSXFSSLXIGR-UHFFFAOYSA-N 2 0 293.455 2.694 10 0 CFAERP CN([C@H](C[NH2+]C1CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000052419951 523626523 /nfs/dbraw/zinc/62/65/23/523626523.db2.gz WZMAIRNUMBQJHD-GOSISDBHSA-N 2 0 287.451 2.506 10 0 CFAERP C[N@@H+]1CCC[C@@H]1CCOc1ccc(Cl)cc1C[NH3+] ZINC000052858526 523824615 /nfs/dbraw/zinc/82/46/15/523824615.db2.gz NPSIVPUSNQSQLI-CYBMUJFWSA-N 2 0 268.788 2.662 10 0 CFAERP C[N@@H+]1CCC[C@H]1CCOc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000051549435 523849665 /nfs/dbraw/zinc/84/96/65/523849665.db2.gz LRJDUHFOWIAHIY-HNNXBMFYSA-N 2 0 291.439 2.833 10 0 CFAERP CC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052444125 523922165 /nfs/dbraw/zinc/92/21/65/523922165.db2.gz SHLPYDULHYFBGR-LBPRGKRZSA-N 2 0 253.390 2.651 10 0 CFAERP CC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052444123 523922795 /nfs/dbraw/zinc/92/27/95/523922795.db2.gz DERWJKPRAIIADL-NSHDSACASA-N 2 0 253.390 2.793 10 0 CFAERP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C[NH3+])[C@@H]1C ZINC000050563666 524220425 /nfs/dbraw/zinc/22/04/25/524220425.db2.gz COPDTEAFGUSDSU-ZIAGYGMSSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@H](C[NH+]1CCCCC1)N1Cc2ccccc2C1=[NH2+] ZINC000049501998 524328805 /nfs/dbraw/zinc/32/88/05/524328805.db2.gz QVKNGNOXMWBHOL-CYBMUJFWSA-N 2 0 257.381 2.702 10 0 CFAERP Cc1cccc(N2CC[NH+](CC[C@@H]([NH3+])C(C)(C)C)CC2)c1 ZINC000054027141 524553585 /nfs/dbraw/zinc/55/35/85/524553585.db2.gz KPJDSXGVCDAGNE-QGZVFWFLSA-N 2 0 289.467 2.881 10 0 CFAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000050579166 525003670 /nfs/dbraw/zinc/00/36/70/525003670.db2.gz LYQQEJZOOHYKKU-QGZVFWFLSA-N 2 0 295.446 2.654 10 0 CFAERP c1ccc(OCCC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000061815702 526485026 /nfs/dbraw/zinc/48/50/26/526485026.db2.gz JYENDWWTZRMSCX-OAHLLOKOSA-N 2 0 274.408 2.529 10 0 CFAERP Cc1oc(C[N@H+](C)C2CC2)cc1C[NH2+]CC(C)C ZINC000052445293 526769388 /nfs/dbraw/zinc/76/93/88/526769388.db2.gz BHQOWHKRIRJDEI-UHFFFAOYSA-N 2 0 250.386 2.928 10 0 CFAERP Cc1oc(C[NH2+]CC(C)C)cc1C[N@H+](C)C1CC1 ZINC000052445606 526775437 /nfs/dbraw/zinc/77/54/37/526775437.db2.gz ZGQWBYFZVCDUAU-UHFFFAOYSA-N 2 0 250.386 2.928 10 0 CFAERP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000052373072 527252990 /nfs/dbraw/zinc/25/29/90/527252990.db2.gz QLQCEYXBLPNARL-CQSZACIVSA-N 2 0 256.349 2.728 10 0 CFAERP [NH3+]Cc1nc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cs1 ZINC000052373090 527265989 /nfs/dbraw/zinc/26/59/89/527265989.db2.gz PTZWXUDVXBARRT-CYBMUJFWSA-N 2 0 273.405 2.591 10 0 CFAERP C[N@H+](CCSc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226466361 545499608 /nfs/dbraw/zinc/49/96/08/545499608.db2.gz CXJDCJAVMPDCOW-CQSZACIVSA-N 2 0 282.428 2.992 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]12 ZINC000261593668 545500343 /nfs/dbraw/zinc/50/03/43/545500343.db2.gz NAQQZLDJXYDLHP-MELADBBJSA-N 2 0 266.335 2.793 10 0 CFAERP CO[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCC2 ZINC000308393799 618200428 /nfs/dbraw/zinc/20/04/28/618200428.db2.gz NFUYELKLSQUAJQ-KBPBESRZSA-N 2 0 280.456 2.843 10 0 CFAERP C[C@H]1CCN(c2cc[nH+]c3ccccc32)C[C@H]1C[NH3+] ZINC000253194435 619018251 /nfs/dbraw/zinc/01/82/51/619018251.db2.gz PZATYLQAHPERHS-QWHCGFSZSA-N 2 0 255.365 2.656 10 0 CFAERP CC1CCC(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000261571137 619171398 /nfs/dbraw/zinc/17/13/98/619171398.db2.gz KWGWDLDZTIQXNV-UHFFFAOYSA-N 2 0 250.430 2.888 10 0 CFAERP CCC[NH2+]Cc1sc(CC[NH+](C)C)nc1C1CC1 ZINC000082437260 178015155 /nfs/dbraw/zinc/01/51/55/178015155.db2.gz XUDHCPRADXWUPG-UHFFFAOYSA-N 2 0 267.442 2.624 10 0 CFAERP CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccc(OC)cc21 ZINC000082509421 178076233 /nfs/dbraw/zinc/07/62/33/178076233.db2.gz QKJSCSWWEJPLLU-HNNXBMFYSA-N 2 0 290.407 2.593 10 0 CFAERP CCC[NH2+][C@](C)(CO)CCC[N@@H+]1CCCC(C)(C)C1 ZINC000085212046 178974696 /nfs/dbraw/zinc/97/46/96/178974696.db2.gz ZFSXITZXXCMPKY-INIZCTEOSA-N 2 0 270.461 2.639 10 0 CFAERP CC(C)(C)C1CC[NH+](CCCC[C@](C)([NH3+])CO)CC1 ZINC000085210994 178973722 /nfs/dbraw/zinc/97/37/22/178973722.db2.gz OCMAUSJBJUBWEQ-INIZCTEOSA-N 2 0 270.461 2.625 10 0 CFAERP CC[NH2+][C@@](C)(CO)CCC[NH+](CC(C)C)CC(C)C ZINC000085241489 178981966 /nfs/dbraw/zinc/98/19/66/178981966.db2.gz ADYRNSDPPNJWJY-MRXNPFEDSA-N 2 0 272.477 2.741 10 0 CFAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017276 346326051 /nfs/dbraw/zinc/32/60/51/346326051.db2.gz YKSNSQNHZKYWKV-CZUORRHYSA-N 2 0 289.423 2.594 10 0 CFAERP C[NH2+][C@@H]1CCN(c2cc[nH+]c(NCC3CCCCC3)c2)C1 ZINC000116601748 347788451 /nfs/dbraw/zinc/78/84/51/347788451.db2.gz VEKBSXAIEYAGSW-OAHLLOKOSA-N 2 0 288.439 2.872 10 0 CFAERP C[NH+](C)Cc1cccc(-c2ccc(C[NH3+])cc2O)c1 ZINC000146470212 347945855 /nfs/dbraw/zinc/94/58/55/347945855.db2.gz YZZDARLILJCAGQ-UHFFFAOYSA-N 2 0 256.349 2.580 10 0 CFAERP Cc1ccc(OC[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818853 179348389 /nfs/dbraw/zinc/34/83/89/179348389.db2.gz PVHSENGPMZWTFL-HZPDHXFCSA-N 2 0 276.424 2.836 10 0 CFAERP [NH3+][C@@H](CC[NH+]1CCCCC1)Cc1cc(F)c(F)cc1F ZINC000167886189 348047006 /nfs/dbraw/zinc/04/70/06/348047006.db2.gz SNKUZAJUJYNYOT-LBPRGKRZSA-N 2 0 286.341 2.850 10 0 CFAERP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC000086817408 179344779 /nfs/dbraw/zinc/34/47/79/179344779.db2.gz MWLCTOBQSLGYKP-CJNGLKHVSA-N 2 0 289.423 2.780 10 0 CFAERP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000086817390 179345066 /nfs/dbraw/zinc/34/50/66/179345066.db2.gz MAJPOLOTHHIASP-DOMZBBRYSA-N 2 0 250.361 2.961 10 0 CFAERP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817891 179345753 /nfs/dbraw/zinc/34/57/53/179345753.db2.gz XWNIXOZQLYUGBC-QWHCGFSZSA-N 2 0 252.427 2.753 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]CCSc2ccccc2)CC1 ZINC000086818808 179346417 /nfs/dbraw/zinc/34/64/17/179346417.db2.gz APAXSGWDALWIOL-CQSZACIVSA-N 2 0 264.438 2.853 10 0 CFAERP CCN(c1ccccc1F)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086848397 179356397 /nfs/dbraw/zinc/35/63/97/179356397.db2.gz WVISTXYUWWPSIJ-KRWDZBQOSA-N 2 0 293.430 2.855 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2ccc(F)cc2)CC1 ZINC000086848299 179357318 /nfs/dbraw/zinc/35/73/18/179357318.db2.gz AZUQKGZZFNDEPZ-QGZVFWFLSA-N 2 0 293.430 2.855 10 0 CFAERP [NH3+][C@@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000091303773 180130645 /nfs/dbraw/zinc/13/06/45/180130645.db2.gz QFCLGAXSDGIWMG-KZNAEPCWSA-N 2 0 264.372 2.916 10 0 CFAERP CC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[C@H]1[NH3+] ZINC000251899218 540554188 /nfs/dbraw/zinc/55/41/88/540554188.db2.gz WQLZUOZHIARYMF-TZMCWYRMSA-N 2 0 255.365 2.798 10 0 CFAERP O[C@@H](C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178976721 189159190 /nfs/dbraw/zinc/15/91/90/189159190.db2.gz JENLJUSTXVBCGO-MSOLQXFVSA-N 2 0 288.435 2.574 10 0 CFAERP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000180892167 189282401 /nfs/dbraw/zinc/28/24/01/189282401.db2.gz PJRAOTUMQZWAHZ-HIFRSBDPSA-N 2 0 292.423 2.839 10 0 CFAERP C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000111824640 375872623 /nfs/dbraw/zinc/87/26/23/375872623.db2.gz WNUKTNOZGZALMK-CQSZACIVSA-N 2 0 252.789 2.914 10 0 CFAERP Cc1nccn1CCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000125473157 377158950 /nfs/dbraw/zinc/15/89/50/377158950.db2.gz GRUOUDPURPIXOO-JKSUJKDBSA-N 2 0 277.412 2.615 10 0 CFAERP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000129273901 377407492 /nfs/dbraw/zinc/40/74/92/377407492.db2.gz NARAXWQQVZXVLY-YPMHNXCESA-N 2 0 252.427 2.719 10 0 CFAERP c1cn(CCC[NH2+][C@H]2CCC[NH2+]CC2)c2ccccc12 ZINC000133594231 377941972 /nfs/dbraw/zinc/94/19/72/377941972.db2.gz UKWWMSJZHOTYDI-INIZCTEOSA-N 2 0 271.408 2.763 10 0 CFAERP COc1ccccc1C[C@H]([NH2+]CCC[NH+](C)C)C(C)C ZINC000151958697 378376561 /nfs/dbraw/zinc/37/65/61/378376561.db2.gz IAGGAQXXJLLBAO-INIZCTEOSA-N 2 0 278.440 2.804 10 0 CFAERP c1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171939471 379445391 /nfs/dbraw/zinc/44/53/91/379445391.db2.gz KAOAJAUUFWBVCU-CYBMUJFWSA-N 2 0 253.349 2.519 10 0 CFAERP CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178971711 380496384 /nfs/dbraw/zinc/49/63/84/380496384.db2.gz TXQWTOICSJMXOY-KRWDZBQOSA-N 2 0 288.435 2.838 10 0 CFAERP C[C@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400337330 380856229 /nfs/dbraw/zinc/85/62/29/380856229.db2.gz HTGNPHIHQFRVBC-CMPLNLGQSA-N 2 0 283.213 2.537 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000400353226 380856338 /nfs/dbraw/zinc/85/63/38/380856338.db2.gz NQOXMEKZOFADNF-PWSUYJOCSA-N 2 0 283.213 2.537 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000400436859 380860033 /nfs/dbraw/zinc/86/00/33/380860033.db2.gz MYDGCTDAUCVUMI-KOLCDFICSA-N 2 0 256.752 2.567 10 0 CFAERP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000041685443 184552976 /nfs/dbraw/zinc/55/29/76/184552976.db2.gz XQNDUUSCMWZCIP-CHWSQXEVSA-N 2 0 292.427 2.558 10 0 CFAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)C1CCCCC1 ZINC000386079407 382582250 /nfs/dbraw/zinc/58/22/50/382582250.db2.gz BOCUVUBUSYYCFE-PVAVHDDUSA-N 2 0 282.472 2.828 10 0 CFAERP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195269762 382765468 /nfs/dbraw/zinc/76/54/68/382765468.db2.gz VPDILBABBRTBCB-INIZCTEOSA-N 2 0 273.424 2.778 10 0 CFAERP [NH3+]CC[C@H]([NH3+])c1ccccc1SC(F)(F)F ZINC000575439164 382771404 /nfs/dbraw/zinc/77/14/04/382771404.db2.gz PRRLMQCHSUPEME-QMMMGPOBSA-N 2 0 250.289 2.647 10 0 CFAERP Cc1cc(Br)cc([C@H]([NH3+])CCC[NH3+])c1F ZINC000575440289 382771792 /nfs/dbraw/zinc/77/17/92/382771792.db2.gz ZPTBPCGHLRAOQV-SNVBAGLBSA-N 2 0 275.165 2.635 10 0 CFAERP COc1ccc(Br)c([C@@H]([NH3+])CCCC[NH3+])c1 ZINC000575440190 382771798 /nfs/dbraw/zinc/77/17/98/382771798.db2.gz MZSBTSXHIJYVLH-LBPRGKRZSA-N 2 0 287.201 2.587 10 0 CFAERP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]c4ccccc43)C[C@@H]21 ZINC000230134413 382856019 /nfs/dbraw/zinc/85/60/19/382856019.db2.gz RTVNQMDDFIHPIN-VHDGCEQUSA-N 2 0 267.376 2.798 10 0 CFAERP C[C@@H]1CCCN(c2cc[nH+]c3ccccc32)[C@@H]1C[NH3+] ZINC000070178435 412969116 /nfs/dbraw/zinc/96/91/16/412969116.db2.gz JOOFFJOPLVZLIW-MLGOLLRUSA-N 2 0 255.365 2.798 10 0 CFAERP C[NH+](C)C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250361188 383375453 /nfs/dbraw/zinc/37/54/53/383375453.db2.gz TYHVGNFLVJRTEK-BZSNNMDCSA-N 2 0 287.451 2.506 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3csc(-c4ccco4)n3)C[C@@H]12 ZINC000261719506 383548492 /nfs/dbraw/zinc/54/84/92/383548492.db2.gz KEPNIMWNYFVSNW-RAIGVLPGSA-N 2 0 289.404 2.572 10 0 CFAERP C[C@@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000261539080 383508021 /nfs/dbraw/zinc/50/80/21/383508021.db2.gz BMPKSIQQRTZZEJ-AGERRDQYSA-N 2 0 287.451 2.509 10 0 CFAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000261558885 383511018 /nfs/dbraw/zinc/51/10/18/383511018.db2.gz SVUXSUCBVSGIQW-YUTCNCBUSA-N 2 0 250.411 2.534 10 0 CFAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000261558882 383511081 /nfs/dbraw/zinc/51/10/81/383511081.db2.gz SVUXSUCBVSGIQW-FPMFFAJLSA-N 2 0 250.411 2.534 10 0 CFAERP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000261596575 383525112 /nfs/dbraw/zinc/52/51/12/383525112.db2.gz AHXZXNSLRMDYCD-YESZJQIVSA-N 2 0 281.403 2.712 10 0 CFAERP C[N@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000261596906 383525644 /nfs/dbraw/zinc/52/56/44/383525644.db2.gz WDUFPUUPVVTJBH-MRXNPFEDSA-N 2 0 269.392 2.809 10 0 CFAERP CCc1noc(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696752 383542834 /nfs/dbraw/zinc/54/28/34/383542834.db2.gz JLUJEMDYTXDVBZ-WBVHZDCISA-N 2 0 299.418 2.720 10 0 CFAERP CN(C[C@@H]1CCC[NH2+]C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000261966921 383589158 /nfs/dbraw/zinc/58/91/58/383589158.db2.gz PYJZQRHXDBTIMN-MRXNPFEDSA-N 2 0 281.488 2.572 10 0 CFAERP Cc1cccc(C)c1OCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000262174674 383610450 /nfs/dbraw/zinc/61/04/50/383610450.db2.gz VQAYRNIIQJQYDJ-INIZCTEOSA-N 2 0 276.424 2.756 10 0 CFAERP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261780851 383560310 /nfs/dbraw/zinc/56/03/10/383560310.db2.gz PLGKNVGOAVMOOB-XIRDDKMYSA-N 2 0 274.408 2.643 10 0 CFAERP C[C@H](Cc1cccs1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000643543997 384721976 /nfs/dbraw/zinc/72/19/76/384721976.db2.gz DBEFQANTCKMWPD-YRGRVCCFSA-N 2 0 252.427 2.596 10 0 CFAERP C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2C2CC2)C[C@@]1(C)C[NH3+] ZINC000415059177 393810742 /nfs/dbraw/zinc/81/07/42/393810742.db2.gz XHTSEJNIXJQDFS-SLBVQIDZSA-N 2 0 250.430 2.872 10 0 CFAERP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000245638502 393819948 /nfs/dbraw/zinc/81/99/48/393819948.db2.gz CTANBIMKIQBPBV-CABCVRRESA-N 2 0 276.424 2.682 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCCCCC2)CC1 ZINC000121083866 393948173 /nfs/dbraw/zinc/94/81/73/393948173.db2.gz PWBHWNMUKFRCAL-INIZCTEOSA-N 2 0 296.499 2.981 10 0 CFAERP CC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1CCOC ZINC000174737335 394379710 /nfs/dbraw/zinc/37/97/10/394379710.db2.gz VRDJDFBTEANOJX-OAHLLOKOSA-N 2 0 299.418 2.782 10 0 CFAERP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034515 286333199 /nfs/dbraw/zinc/33/31/99/286333199.db2.gz OKNWPXKSTDQONM-XHSDSOJGSA-N 2 0 280.456 2.656 10 0 CFAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000020128339 171014539 /nfs/dbraw/zinc/01/45/39/171014539.db2.gz QFSGRQMINJWKSV-IAGOWNOFSA-N 2 0 295.515 2.818 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000020365694 171164049 /nfs/dbraw/zinc/16/40/49/171164049.db2.gz QBLMMGYJBITTLZ-LSDHHAIUSA-N 2 0 299.503 2.780 10 0 CFAERP [NH3+]CC[C@H](COc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000020401993 171182603 /nfs/dbraw/zinc/18/26/03/171182603.db2.gz WPLDAAZZGJLHKG-CYBMUJFWSA-N 2 0 268.788 2.532 10 0 CFAERP [NH3+]Cc1ccccc1NC(=O)CCC[NH+]1CCCCCC1 ZINC000022154663 171361627 /nfs/dbraw/zinc/36/16/27/171361627.db2.gz UHECJLNBHBWJSH-UHFFFAOYSA-N 2 0 289.423 2.740 10 0 CFAERP CC[N@H+](CC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000022221380 171378288 /nfs/dbraw/zinc/37/82/88/171378288.db2.gz YXJVWBRKQMSWGV-UHFFFAOYSA-N 2 0 289.423 2.738 10 0 CFAERP CC(C)CC[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000032113729 171707363 /nfs/dbraw/zinc/70/73/63/171707363.db2.gz JQTVCLRKLVINOL-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CC[C@H](C)C[N@H+](C)CCOc1cccc(C[NH3+])c1 ZINC000037172401 173005198 /nfs/dbraw/zinc/00/51/98/173005198.db2.gz NTKXYPPHPYBQMG-ZDUSSCGKSA-N 2 0 250.386 2.502 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCOCC)C1 ZINC000037210315 173032585 /nfs/dbraw/zinc/03/25/85/173032585.db2.gz UVIYACTZOYWZIG-HUUCEWRRSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2nc(C)cs2)CC1 ZINC000038090938 174104759 /nfs/dbraw/zinc/10/47/59/174104759.db2.gz VWAJHNCZXDJODD-LBPRGKRZSA-N 2 0 267.442 2.662 10 0 CFAERP CC[NH+](CC)CCOc1cccc(F)c1[C@H](C)[NH3+] ZINC000040240018 174212651 /nfs/dbraw/zinc/21/26/51/174212651.db2.gz IRJRDLGBEZZENC-NSHDSACASA-N 2 0 254.349 2.566 10 0 CFAERP CCCCOCC[NH2+][C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000040506732 174302344 /nfs/dbraw/zinc/30/23/44/174302344.db2.gz UZJCJUWZDWTZHA-CABCVRRESA-N 2 0 256.434 2.513 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000040592575 174347601 /nfs/dbraw/zinc/34/76/01/174347601.db2.gz RVPFSZQUTSDLHN-DOTOQJQBSA-N 2 0 260.425 2.939 10 0 CFAERP C[C@H]1CCC[C@@](C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040693865 174377673 /nfs/dbraw/zinc/37/76/73/174377673.db2.gz OYULGHLCDZFJKF-FUHWJXTLSA-N 2 0 293.499 2.844 10 0 CFAERP [NH3+][C@@H]1CCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693953 174378003 /nfs/dbraw/zinc/37/80/03/174378003.db2.gz PQJNATYVROPDKL-SJORKVTESA-N 2 0 279.472 2.597 10 0 CFAERP CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749257 174393888 /nfs/dbraw/zinc/39/38/88/174393888.db2.gz GGMDGRRSQWCNDE-GOOCMWNKSA-N 2 0 260.381 2.539 10 0 CFAERP COc1ccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000040749186 174393993 /nfs/dbraw/zinc/39/39/93/174393993.db2.gz YYGHXTWJHRKNCK-JZIBPQBNSA-N 2 0 290.407 2.719 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)s1 ZINC000040749219 174394208 /nfs/dbraw/zinc/39/42/08/174394208.db2.gz YILLTHRSIVRPNM-PBINXNQUSA-N 2 0 256.802 2.856 10 0 CFAERP C[NH2+][C@H](C)c1cc(F)ccc1OC1CC[NH+](C)CC1 ZINC000041019326 174451379 /nfs/dbraw/zinc/45/13/79/174451379.db2.gz CSUAYPFSXSKYBT-LLVKDONJSA-N 2 0 266.360 2.579 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000041019346 174451404 /nfs/dbraw/zinc/45/14/04/174451404.db2.gz CUJZBJJSKITZJA-ZDUSSCGKSA-N 2 0 262.397 2.830 10 0 CFAERP CC[NH+]1CCC(Cn2c(C)cc3c2CCC[C@H]3[NH3+])CC1 ZINC000041735169 174620217 /nfs/dbraw/zinc/62/02/17/174620217.db2.gz YJGANNQMBHWMLY-MRXNPFEDSA-N 2 0 275.440 2.865 10 0 CFAERP Cc1cc([C@@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)c(C)s1 ZINC000042392033 174706747 /nfs/dbraw/zinc/70/67/47/174706747.db2.gz BXJDPFXDOLGMGX-MRXNPFEDSA-N 2 0 295.496 2.638 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCC([NH+](C)C)CC1 ZINC000042971882 174934928 /nfs/dbraw/zinc/93/49/28/174934928.db2.gz KECNXJACQKIKCC-SJORKVTESA-N 2 0 293.430 2.630 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccsc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043123329 174975938 /nfs/dbraw/zinc/97/59/38/174975938.db2.gz LMWMWTNEIJDJCB-LSDHHAIUSA-N 2 0 295.496 2.943 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](c2ccc(C)s2)[C@@H](C)[NH3+])CC1 ZINC000043243215 174990698 /nfs/dbraw/zinc/99/06/98/174990698.db2.gz IFQNCZTUGJQRLF-CZUORRHYSA-N 2 0 295.496 2.861 10 0 CFAERP C[C@@H]([NH3+])[C@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043335504 175011255 /nfs/dbraw/zinc/01/12/55/175011255.db2.gz FVBRCOWVKDNKIC-RHSMWYFYSA-N 2 0 291.439 2.618 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C1CC[NH+](CC)CC1 ZINC000043365323 175026102 /nfs/dbraw/zinc/02/61/02/175026102.db2.gz IJOJOVGQGMLNGG-WBVHZDCISA-N 2 0 293.455 2.783 10 0 CFAERP CN([C@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000043390144 175033561 /nfs/dbraw/zinc/03/35/61/175033561.db2.gz AIVDGXDFCXFFSZ-OAHLLOKOSA-N 2 0 299.821 2.505 10 0 CFAERP COc1c(C)cnc(C[N@H+](CCC[NH3+])CC(C)C)c1C ZINC000043417484 175038439 /nfs/dbraw/zinc/03/84/39/175038439.db2.gz VUJWKVQMNRVCIW-UHFFFAOYSA-N 2 0 279.428 2.514 10 0 CFAERP CCCC[C@H](CC)C[NH+]1CCN(CCCC[NH3+])CC1 ZINC000043454525 175049912 /nfs/dbraw/zinc/04/99/12/175049912.db2.gz FFEGKQKARHNAHY-INIZCTEOSA-N 2 0 269.477 2.559 10 0 CFAERP CC[NH2+][C@H]1CC(C)(C)Oc2cc(OCC[NH+](C)C)ccc21 ZINC000043460377 175050833 /nfs/dbraw/zinc/05/08/33/175050833.db2.gz MGLPCHNWTOHPGC-HNNXBMFYSA-N 2 0 292.423 2.839 10 0 CFAERP CC(C)[NH2+]Cc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000043479519 175055409 /nfs/dbraw/zinc/05/54/09/175055409.db2.gz BLXXKWPSDRXQDD-UHFFFAOYSA-N 2 0 270.804 2.778 10 0 CFAERP CC[C@@H](C)[N@H+](CCC[C@@H]1CCC[NH2+]C1)CCOC ZINC000043592064 175074512 /nfs/dbraw/zinc/07/45/12/175074512.db2.gz MAUUIJVUILBKLT-CABCVRRESA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccc(CC)cc2)CC1 ZINC000043805384 175107518 /nfs/dbraw/zinc/10/75/18/175107518.db2.gz FMPSPTJGSVZEFL-GOSISDBHSA-N 2 0 289.467 2.537 10 0 CFAERP CC[NH+]1CCN([C@@H]2C[C@H](C(C)(C)CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043805700 175107763 /nfs/dbraw/zinc/10/77/63/175107763.db2.gz HQVWKVMMHQWLQQ-IXDOHACOSA-N 2 0 295.515 2.817 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043810780 175110301 /nfs/dbraw/zinc/11/03/01/175110301.db2.gz MMJYEPYXQLSNID-MSOLQXFVSA-N 2 0 289.467 2.609 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1c(C)cc(C)cc1C ZINC000043810794 175110331 /nfs/dbraw/zinc/11/03/31/175110331.db2.gz YUYAWFFMWWPEAF-QGZVFWFLSA-N 2 0 289.467 2.510 10 0 CFAERP CCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](C)C)c1 ZINC000043816328 175112406 /nfs/dbraw/zinc/11/24/06/175112406.db2.gz DITXPUQCOATCCV-LBPRGKRZSA-N 2 0 250.386 2.817 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043897052 175119841 /nfs/dbraw/zinc/11/98/41/175119841.db2.gz ALIFXOLZGLSVMQ-WMZOPIPTSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043897111 175119948 /nfs/dbraw/zinc/11/99/48/175119948.db2.gz MCBCPKOYNKXNPN-CVEARBPZSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897513 175120703 /nfs/dbraw/zinc/12/07/03/175120703.db2.gz ZNHWXAFKUBSEOJ-XIRDDKMYSA-N 2 0 281.488 2.569 10 0 CFAERP C[NH2+][C@@H](CN1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000043907683 175123154 /nfs/dbraw/zinc/12/31/54/175123154.db2.gz DEQPVZCSOVDINA-INIZCTEOSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965634 175126868 /nfs/dbraw/zinc/12/68/68/175126868.db2.gz ZFQUVIIQEDVJOB-CVEARBPZSA-N 2 0 283.504 2.959 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967790 175129222 /nfs/dbraw/zinc/12/92/22/175129222.db2.gz QMDQZWRFYYAGKM-NJAFHUGGSA-N 2 0 293.499 2.713 10 0 CFAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970586 175132263 /nfs/dbraw/zinc/13/22/63/175132263.db2.gz UGZVAQOPDJEDCA-IAGOWNOFSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978424 175133773 /nfs/dbraw/zinc/13/37/73/175133773.db2.gz SSWFHDOMWLMYDH-JQHSSLGASA-N 2 0 295.515 2.959 10 0 CFAERP CC(C)[C@@H]([C@H](O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044132971 175144559 /nfs/dbraw/zinc/14/45/59/175144559.db2.gz MJMNRBZGQLJEHH-ZWKOTPCHSA-N 2 0 290.451 2.771 10 0 CFAERP COc1ccc(CC[C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044512299 175188317 /nfs/dbraw/zinc/18/83/17/175188317.db2.gz KEUAJSJXAMDXRH-AWEZNQCLSA-N 2 0 276.424 2.687 10 0 CFAERP [NH3+]CC1CC[NH+](CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000044513539 175188670 /nfs/dbraw/zinc/18/86/70/175188670.db2.gz NETVXJVGAMXMQO-UHFFFAOYSA-N 2 0 262.441 2.874 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000044517715 175190890 /nfs/dbraw/zinc/19/08/90/175190890.db2.gz RKWYBCHDSCRFOL-INIZCTEOSA-N 2 0 274.408 2.701 10 0 CFAERP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044528020 175192790 /nfs/dbraw/zinc/19/27/90/175192790.db2.gz HUEYOSOGMYOIEE-CYBMUJFWSA-N 2 0 257.381 2.647 10 0 CFAERP Cc1ccc(SCC[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044529377 175194405 /nfs/dbraw/zinc/19/44/05/175194405.db2.gz MFQJYNYVYWRYOL-AWEZNQCLSA-N 2 0 264.438 2.758 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)COCC)CC1 ZINC000044690801 175233452 /nfs/dbraw/zinc/23/34/52/175233452.db2.gz CPQRVYXEOBONMN-ZIAGYGMSSA-N 2 0 256.434 2.512 10 0 CFAERP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747606 175243058 /nfs/dbraw/zinc/24/30/58/175243058.db2.gz SNIRXOMNRPHZLK-CXAGYDPISA-N 2 0 274.408 2.701 10 0 CFAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000044806128 175256345 /nfs/dbraw/zinc/25/63/45/175256345.db2.gz NEXLMHFGRKCHDO-HNNXBMFYSA-N 2 0 297.487 2.522 10 0 CFAERP C[N@H+](CCCOc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068713 175300907 /nfs/dbraw/zinc/30/09/07/175300907.db2.gz HXYYAMOTCSVFBL-UHFFFAOYSA-N 2 0 264.413 2.892 10 0 CFAERP C[N@H+](Cc1ccc(C(N)=[NH2+])cc1F)CC(C)(C)C ZINC000045074242 175302342 /nfs/dbraw/zinc/30/23/42/175302342.db2.gz OPDWOUBIMZYWPG-UHFFFAOYSA-N 2 0 251.349 2.588 10 0 CFAERP CCCC[N@H+](CC)CCCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045370532 175364082 /nfs/dbraw/zinc/36/40/82/175364082.db2.gz YJNYQYJWLUIBFW-MRXNPFEDSA-N 2 0 285.476 2.522 10 0 CFAERP CCCCC[N@H+](C)CCCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045388008 175374072 /nfs/dbraw/zinc/37/40/72/175374072.db2.gz MSPWSACHXLMKFT-INIZCTEOSA-N 2 0 285.476 2.522 10 0 CFAERP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)Cc2cccs2)C[C@@H]1C ZINC000071271031 176104184 /nfs/dbraw/zinc/10/41/84/176104184.db2.gz KVDIVQNPVHLCQX-OBJOEFQTSA-N 2 0 252.427 2.609 10 0 CFAERP COc1ccc([C@H](CC[NH3+])C[NH+]2CCCCC2)cc1 ZINC000076676207 177056245 /nfs/dbraw/zinc/05/62/45/177056245.db2.gz WFGGIKGQQQEDTM-OAHLLOKOSA-N 2 0 262.397 2.614 10 0 CFAERP C[NH+](C)CCOCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000226206401 270256307 /nfs/dbraw/zinc/25/63/07/270256307.db2.gz KPYZPAMZTWRZOS-CABCVRRESA-N 2 0 270.461 2.759 10 0 CFAERP CC(C)(CC[NH3+])[NH2+]Cc1cc(Br)cs1 ZINC000258725056 270274911 /nfs/dbraw/zinc/27/49/11/270274911.db2.gz DRHSOXRWJUZZJV-UHFFFAOYSA-N 2 0 277.231 2.728 10 0 CFAERP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000334357922 275626200 /nfs/dbraw/zinc/62/62/00/275626200.db2.gz RFMSVCAHNMIKMN-SJLPKXTDSA-N 2 0 293.499 2.665 10 0 CFAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000336528008 275949639 /nfs/dbraw/zinc/94/96/39/275949639.db2.gz ZIAWBGZPNOFHNJ-SJLPKXTDSA-N 2 0 293.499 2.665 10 0 CFAERP CC1(C)CCC(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000261572599 276101562 /nfs/dbraw/zinc/10/15/62/276101562.db2.gz LTRNMQZJEVOZTJ-KKUMJFAQSA-N 2 0 250.430 2.872 10 0 CFAERP CC1(C)SC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000335063207 276157890 /nfs/dbraw/zinc/15/78/90/276157890.db2.gz QHPJHKXCIJIFHQ-AWEZNQCLSA-N 2 0 268.470 2.877 10 0 CFAERP CC(C)[NH2+][C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096091980 277666029 /nfs/dbraw/zinc/66/60/29/277666029.db2.gz XJRIETLZUCONLB-OAHLLOKOSA-N 2 0 262.372 2.890 10 0 CFAERP C(N[C@H]1CCC[NH2+]CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000133561483 277722910 /nfs/dbraw/zinc/72/29/10/277722910.db2.gz QXMSILKXLXFUQH-KRWDZBQOSA-N 2 0 293.499 2.907 10 0 CFAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1OC ZINC000261586820 288070504 /nfs/dbraw/zinc/07/05/04/288070504.db2.gz JDOJWCLYLUCFHS-VHDGCEQUSA-N 2 0 262.397 2.734 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@H]([C@H](C)[NH3+])C2)c1Cl ZINC000261549281 279164471 /nfs/dbraw/zinc/16/44/71/279164471.db2.gz KHXDSHFEMGZPCS-ONGXEEELSA-N 2 0 253.777 2.607 10 0 CFAERP CC[C@](C)(O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162024912 281290394 /nfs/dbraw/zinc/29/03/94/281290394.db2.gz VWLDNGIJTRMXEH-KRWDZBQOSA-N 2 0 282.472 2.735 10 0 CFAERP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261940805 289002918 /nfs/dbraw/zinc/00/29/18/289002918.db2.gz MRQGKWSLTZGWGZ-GRYCIOLGSA-N 2 0 264.335 2.649 10 0 CFAERP C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000565821670 290327484 /nfs/dbraw/zinc/32/74/84/290327484.db2.gz ZATJZVUXBKJWSG-OCCSQVGLSA-N 2 0 266.816 2.860 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000567375363 290459400 /nfs/dbraw/zinc/45/94/00/290459400.db2.gz XBTRKCAAHRWFOM-YJNKXOJESA-N 2 0 268.445 2.558 10 0 CFAERP CC(C)CN(CC[NH+](C)C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052503359 519716843 /nfs/dbraw/zinc/71/68/43/519716843.db2.gz PYUYKWLXVIXHFD-UHFFFAOYSA-N 2 0 295.471 2.797 10 0 CFAERP CC[NH2+]CCC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052416562 519920031 /nfs/dbraw/zinc/92/00/31/519920031.db2.gz CMCCRQKACGELSJ-GFCCVEGCSA-N 2 0 252.427 2.884 10 0 CFAERP CC[NH2+]C[C@]1(C[N@H+](C)C(C)(C)CC)CCCOC1 ZINC000069443737 519983672 /nfs/dbraw/zinc/98/36/72/519983672.db2.gz OSAGRMPRTZVMAF-HNNXBMFYSA-N 2 0 256.434 2.513 10 0 CFAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000062740997 520306706 /nfs/dbraw/zinc/30/67/06/520306706.db2.gz AOWIJLNXERDABD-CQSZACIVSA-N 2 0 270.804 2.526 10 0 CFAERP CCCC[N@H+](CC)C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052418839 520477797 /nfs/dbraw/zinc/47/77/97/520477797.db2.gz WLPJVWNSLSUBMY-HUUCEWRRSA-N 2 0 256.434 2.654 10 0 CFAERP CC[N@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)C(C)C ZINC000052446786 521289750 /nfs/dbraw/zinc/28/97/50/521289750.db2.gz ZKHZXFCWPSWVGS-UHFFFAOYSA-N 2 0 253.390 2.793 10 0 CFAERP CCC(CC)[N@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052478110 521543079 /nfs/dbraw/zinc/54/30/79/521543079.db2.gz ZEMVSCQXRTYWRR-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000045666094 521657453 /nfs/dbraw/zinc/65/74/53/521657453.db2.gz BCDIXRNONCULQO-MRXNPFEDSA-N 2 0 295.496 2.682 10 0 CFAERP CC[C@@H](C)C[N@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052454104 521971514 /nfs/dbraw/zinc/97/15/14/521971514.db2.gz CBQHYWPRNGAHNJ-CYBMUJFWSA-N 2 0 267.417 2.898 10 0 CFAERP C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000423100961 534148185 /nfs/dbraw/zinc/14/81/85/534148185.db2.gz NDWSCWSZXZGNGH-LYHPXFHOSA-N 2 0 280.456 2.700 10 0 CFAERP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414825291 534409215 /nfs/dbraw/zinc/40/92/15/534409215.db2.gz HAZASBWMNRCWRE-PNKOWGENSA-N 2 0 276.346 2.980 10 0 CFAERP CC(C)[N@H+](C)CCCC[NH2+]CC[C@H]1CCCC[NH+]1C ZINC000052206267 519616862 /nfs/dbraw/zinc/61/68/62/519616862.db2.gz WVFQNAYCNLKOPD-MRXNPFEDSA-N 3 0 269.477 2.571 10 0 CFAERP CC(C)C[NH+](CC(C)C)C[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052485054 519713304 /nfs/dbraw/zinc/71/33/04/519713304.db2.gz FXAMAFNSJFWDAD-IRXDYDNUSA-N 2 0 282.472 2.900 10 0 CFAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543562 519721262 /nfs/dbraw/zinc/72/12/62/519721262.db2.gz LGINZAADZAYGHI-KBPBESRZSA-N 2 0 256.434 2.652 10 0 CFAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417335 519721483 /nfs/dbraw/zinc/72/14/83/519721483.db2.gz MIHGWFRNOYJADA-KRWDZBQOSA-N 2 0 289.467 2.975 10 0 CFAERP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346138 519722552 /nfs/dbraw/zinc/72/25/52/519722552.db2.gz HYKAEQNSWAGWND-CYBMUJFWSA-N 2 0 252.377 2.892 10 0 CFAERP CC(C)[NH2+]Cc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000052484492 519727193 /nfs/dbraw/zinc/72/71/93/519727193.db2.gz YLQYERUEHKHLFT-OAHLLOKOSA-N 2 0 276.424 2.905 10 0 CFAERP CC(C)C[NH2+]C[C@@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000052424445 519744788 /nfs/dbraw/zinc/74/47/88/519744788.db2.gz KDCZWQVYDSZYLZ-SFHVURJKSA-N 2 0 289.467 2.611 10 0 CFAERP CC(C)C[NH2+]C[C@@]1(C[NH+]2CCC(C)(C)CC2)CCOC1 ZINC000061822369 519745540 /nfs/dbraw/zinc/74/55/40/519745540.db2.gz NLWHKZKKKLUSCD-QGZVFWFLSA-N 2 0 282.472 2.761 10 0 CFAERP CCC[NH+]1CCC(NC2=[NH+][C@@H](CC(C)C)CS2)CC1 ZINC000049559150 519846340 /nfs/dbraw/zinc/84/63/40/519846340.db2.gz GXWNATCNYCJZJJ-AWEZNQCLSA-N 2 0 283.485 2.968 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)CN2CCCC2)CC1 ZINC000049150139 519847632 /nfs/dbraw/zinc/84/76/32/519847632.db2.gz CDZGWLUYLVZUST-HZPDHXFCSA-N 2 0 281.488 2.571 10 0 CFAERP CCC1CCC([N@H+](C)CC2(C[NH3+])CCOCC2)CC1 ZINC000052197836 519853292 /nfs/dbraw/zinc/85/32/92/519853292.db2.gz CAYOSPOMSUVVQU-UHFFFAOYSA-N 2 0 268.445 2.643 10 0 CFAERP CCC1CC[NH+](CCOc2ccc(C[NH2+]C)cc2)CC1 ZINC000052346998 519859014 /nfs/dbraw/zinc/85/90/14/519859014.db2.gz DSUADSUDAAZTGW-UHFFFAOYSA-N 2 0 276.424 2.907 10 0 CFAERP CCC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052347071 519859218 /nfs/dbraw/zinc/85/92/18/519859218.db2.gz HRCCHVMJNHHFIJ-JKSUJKDBSA-N 2 0 268.445 2.654 10 0 CFAERP CC(C)c1[nH+]c2cc(N)ccc2n1CCC[NH+](C)C ZINC000052852063 519869416 /nfs/dbraw/zinc/86/94/16/519869416.db2.gz DFQQGMSORYKKOZ-UHFFFAOYSA-N 2 0 260.385 2.694 10 0 CFAERP CCC[NH2+]CCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573189 519911730 /nfs/dbraw/zinc/91/17/30/519911730.db2.gz MLSXWYXNMNYWCV-JKSUJKDBSA-N 2 0 268.445 2.800 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181817 519912703 /nfs/dbraw/zinc/91/27/03/519912703.db2.gz MQSUVZUUEPVPBD-OAHLLOKOSA-N 2 0 268.445 2.515 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CC)CCOCC1 ZINC000052181282 519913024 /nfs/dbraw/zinc/91/30/24/519913024.db2.gz QLQWJTQTGGKXOA-OAHLLOKOSA-N 2 0 268.445 2.657 10 0 CFAERP CC[NH2+]CCCC[N@H+](C)Cc1cccc(OC)c1 ZINC000052372859 519919044 /nfs/dbraw/zinc/91/90/44/519919044.db2.gz YFLNFZPSTNZKRW-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccc(C)c2)O1 ZINC000052346046 519953190 /nfs/dbraw/zinc/95/31/90/519953190.db2.gz NMRCSFPKEQTSAN-DLBZAZTESA-N 2 0 276.424 2.584 10 0 CFAERP CCC[NH2+]Cc1coc(CN(CC[NH+](C)C)CC(C)C)c1 ZINC000052503358 519965796 /nfs/dbraw/zinc/96/57/96/519965796.db2.gz XWDLVRAJGCPFLC-UHFFFAOYSA-N 2 0 295.471 2.799 10 0 CFAERP CCC[NH2+]Cc1occc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453279 519972726 /nfs/dbraw/zinc/97/27/26/519972726.db2.gz LZEWIPSCFZXFFT-ZDUSSCGKSA-N 2 0 268.426 2.717 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@H+](C)[C@H](C)CC)c1 ZINC000052444142 520006985 /nfs/dbraw/zinc/00/69/85/520006985.db2.gz RQQYKRWYFRQPOE-CQSZACIVSA-N 2 0 264.413 2.905 10 0 CFAERP CC[NH2+][C@@H](C)CCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065117 520071801 /nfs/dbraw/zinc/07/18/01/520071801.db2.gz XGYIKMDZDIQRGT-HOTGVXAUSA-N 2 0 269.477 2.571 10 0 CFAERP CCCCC[NH2+]C[C@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055075270 520224347 /nfs/dbraw/zinc/22/43/47/520224347.db2.gz XPAIYLXMVOXIHI-CVEARBPZSA-N 2 0 269.477 2.571 10 0 CFAERP CC[N@H+](C)CCOc1ccccc1C[NH2+]CC(C)C ZINC000052446091 520241717 /nfs/dbraw/zinc/24/17/17/520241717.db2.gz WQKAWQYZFPJAOI-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CCCO[C@@H]1CCC[N@H+](CCCC[NH2+]CC(C)C)C1 ZINC000052371483 520271937 /nfs/dbraw/zinc/27/19/37/520271937.db2.gz JVXAFKCHTVQJQA-MRXNPFEDSA-N 2 0 270.461 2.903 10 0 CFAERP CC1(C)CC[NH+](CCC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000061818776 520377393 /nfs/dbraw/zinc/37/73/93/520377393.db2.gz YUXCVFWXUUEJDE-UHFFFAOYSA-N 2 0 289.423 2.596 10 0 CFAERP CCC[C@@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181887 520645571 /nfs/dbraw/zinc/64/55/71/520645571.db2.gz DKIILBSTWKNBSK-CQSZACIVSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[C@](C)(C[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000051211907 521266377 /nfs/dbraw/zinc/26/63/77/521266377.db2.gz JCCUBVCZWZRVBG-QGZVFWFLSA-N 2 0 275.440 2.574 10 0 CFAERP CCC(CC)[N@H+](CCOC)[C@H](C)CC[NH2+]C1CC1 ZINC000052573417 521562664 /nfs/dbraw/zinc/56/26/64/521562664.db2.gz LQSHCLJDCQGMBD-CYBMUJFWSA-N 2 0 256.434 2.654 10 0 CFAERP CCOc1ccccc1OCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669199 521563584 /nfs/dbraw/zinc/56/35/84/521563584.db2.gz ILNWDHGJCDMJOT-OAHLLOKOSA-N 2 0 292.423 2.538 10 0 CFAERP CCC[NH+](CCC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180906 521643178 /nfs/dbraw/zinc/64/31/78/521643178.db2.gz ZDUOECGQKSQJAF-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP CCc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052202785 521840536 /nfs/dbraw/zinc/84/05/36/521840536.db2.gz HHBLDPWBTCGOQN-AWEZNQCLSA-N 2 0 258.409 2.823 10 0 CFAERP C[NH+](C)Cc1cccc(NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000054241296 521930657 /nfs/dbraw/zinc/93/06/57/521930657.db2.gz QLCKGOWVVFZWGM-INIZCTEOSA-N 2 0 261.413 2.644 10 0 CFAERP C[NH2+]CC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181997 521971169 /nfs/dbraw/zinc/97/11/69/521971169.db2.gz HRTNYQROAJHXID-JKSUJKDBSA-N 2 0 280.456 2.515 10 0 CFAERP C[NH2+]C[C@H](C)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443885 522070887 /nfs/dbraw/zinc/07/08/87/522070887.db2.gz UBRMKNIQZDKCLT-HNNXBMFYSA-N 2 0 260.425 2.797 10 0 CFAERP C[NH2+]Cc1cc(C[NH+](CC(C)C)CC(C)C)on1 ZINC000052484933 522102592 /nfs/dbraw/zinc/10/25/92/522102592.db2.gz NQOQMXGOCPTVOW-UHFFFAOYSA-N 2 0 253.390 2.508 10 0 CFAERP C[NH2+]Cc1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000052419100 522118197 /nfs/dbraw/zinc/11/81/97/522118197.db2.gz YZGSLRKNUAHYCL-UHFFFAOYSA-N 2 0 256.349 2.557 10 0 CFAERP CC[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1OC ZINC000089148760 522754483 /nfs/dbraw/zinc/75/44/83/522754483.db2.gz VBDHAILBGFYLPI-SNPRPXQTSA-N 2 0 262.397 2.863 10 0 CFAERP COCC[N@H+](CCC[C@@H]1CCCC[NH2+]1)[C@@H](C)C1CC1 ZINC000050953776 523697062 /nfs/dbraw/zinc/69/70/62/523697062.db2.gz VBNADXDZWUDUJM-HOCLYGCPSA-N 2 0 268.445 2.656 10 0 CFAERP C[NH+]1CCC(C[NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000051754369 523764414 /nfs/dbraw/zinc/76/44/14/523764414.db2.gz PCJQCMXSXHDZCO-UHFFFAOYSA-N 2 0 257.381 2.599 10 0 CFAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000361886469 523781280 /nfs/dbraw/zinc/78/12/80/523781280.db2.gz LCJGPBNSOUBXAL-LSDHHAIUSA-N 2 0 282.472 2.638 10 0 CFAERP C[N@@H+]1CCCN(Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052424416 523810687 /nfs/dbraw/zinc/81/06/87/523810687.db2.gz FLCZENJGLXXBDV-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP CC[C@H](C)[N@H+](CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052547242 523939076 /nfs/dbraw/zinc/93/90/76/523939076.db2.gz LLODAOBNCVDMFU-KBPBESRZSA-N 2 0 258.450 2.758 10 0 CFAERP COc1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053011060 523951516 /nfs/dbraw/zinc/95/15/16/523951516.db2.gz JCGRFYCMGMUKCS-KRWDZBQOSA-N 2 0 290.451 2.805 10 0 CFAERP CCc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000234115629 524046931 /nfs/dbraw/zinc/04/69/31/524046931.db2.gz WDQOIWVIVVUXAV-BBRMVZONSA-N 2 0 264.413 2.654 10 0 CFAERP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)cc2N)CC1 ZINC000050443118 524049837 /nfs/dbraw/zinc/04/98/37/524049837.db2.gz APBHDBUYPITVAM-UHFFFAOYSA-N 2 0 281.831 2.696 10 0 CFAERP C[C@H](CC[NH+](C)C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049559114 524172622 /nfs/dbraw/zinc/17/26/22/524172622.db2.gz WFUBBTHVPXPNRC-SECBINFHSA-N 2 0 266.776 2.785 10 0 CFAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2F)[C@@H]1C ZINC000050563678 524233099 /nfs/dbraw/zinc/23/30/99/524233099.db2.gz ACXZESFTOMDWPK-VXGBXAGGSA-N 2 0 250.361 2.905 10 0 CFAERP COc1ccccc1C1CC([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553950 524375296 /nfs/dbraw/zinc/37/52/96/524375296.db2.gz IJJKYRJHOAFLOY-NFOMZHRRSA-N 2 0 276.424 2.871 10 0 CFAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000049557297 524473500 /nfs/dbraw/zinc/47/35/00/524473500.db2.gz CZTVSIGLKSHTMH-KBXCAEBGSA-N 2 0 286.419 2.803 10 0 CFAERP C[C@@H](CC[NH+](C)C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049555366 524478642 /nfs/dbraw/zinc/47/86/42/524478642.db2.gz SEKCNZNXKBXRCA-NSHDSACASA-N 2 0 258.369 2.569 10 0 CFAERP Cc1cccc(N2CC[NH+]([C@@H](C)CCC[NH3+])CC2)c1C ZINC000052376271 524560869 /nfs/dbraw/zinc/56/08/69/524560869.db2.gz KZGOOHBWVXPFHQ-HNNXBMFYSA-N 2 0 275.440 2.553 10 0 CFAERP C[C@@H](Cc1ccco1)[NH2+]CCC[C@@H]1CCCC[NH2+]1 ZINC000050953486 524928183 /nfs/dbraw/zinc/92/81/83/524928183.db2.gz VKQDNTWCEUZKJT-KBPBESRZSA-N 2 0 250.386 2.723 10 0 CFAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1[C@@H]1CCCc2sccc21 ZINC000061363757 525418602 /nfs/dbraw/zinc/41/86/02/525418602.db2.gz DNBQVSOZIQPMKP-NQBHXWOUSA-N 2 0 250.411 2.937 10 0 CFAERP C[C@H]1CC(C)(C)C[C@](C[NH3+])(N2CC[NH+](C(C)(C)C)CC2)C1 ZINC000048927174 526224153 /nfs/dbraw/zinc/22/41/53/526224153.db2.gz VYJRSEDEJLCXNB-MAUKXSAKSA-N 2 0 295.515 2.946 10 0 CFAERP c1ccc2c(c1)CC[N@@H+](CCC[C@H]1CCCC[NH2+]1)C2 ZINC000050952387 526503347 /nfs/dbraw/zinc/50/33/47/526503347.db2.gz SZPUXZIRTIPMDV-QGZVFWFLSA-N 2 0 258.409 2.967 10 0 CFAERP Cc1nc(C)c([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000054629417 526742512 /nfs/dbraw/zinc/74/25/12/526742512.db2.gz GUVNCYCHVDJZIH-NSNUZPRRSA-N 2 0 265.426 2.775 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+]CC2CCC([NH3+])CC2)s1 ZINC000049538848 526751763 /nfs/dbraw/zinc/75/17/63/526751763.db2.gz WVWVOASMYADQKQ-ALXWSUNGSA-N 2 0 267.442 2.928 10 0 CFAERP Cc1oc(C[N@@H+]2CC[C@H](C)C2)cc1C[NH2+]C(C)C ZINC000052484388 526773721 /nfs/dbraw/zinc/77/37/21/526773721.db2.gz AGVCZHJYEPREMV-LBPRGKRZSA-N 2 0 250.386 2.928 10 0 CFAERP [NH3+][C@H]1CCCCC[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000053863402 527394274 /nfs/dbraw/zinc/39/42/74/527394274.db2.gz BTEAMHWYUBWUBO-SJORKVTESA-N 2 0 258.409 2.952 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@@H]12 ZINC000261593669 545500500 /nfs/dbraw/zinc/50/05/00/545500500.db2.gz NAQQZLDJXYDLHP-MGPQQGTHSA-N 2 0 266.335 2.793 10 0 CFAERP Cc1nc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000396442011 574355134 /nfs/dbraw/zinc/35/51/34/574355134.db2.gz AAGFDMJTAFJNGQ-WDEREUQCSA-N 2 0 267.442 2.832 10 0 CFAERP FC1(c2ccccc2)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261961103 617671059 /nfs/dbraw/zinc/67/10/59/617671059.db2.gz PGIGCPRTQHXMBY-OAHLLOKOSA-N 2 0 276.399 2.947 10 0 CFAERP Cc1cc(NC[C@H]2[NH2+]CCc3ccccc32)cc[nH+]1 ZINC000261576123 619172290 /nfs/dbraw/zinc/17/22/90/619172290.db2.gz BWNJCGZKNQXDCA-MRXNPFEDSA-N 2 0 253.349 2.689 10 0 CFAERP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261578439 619172689 /nfs/dbraw/zinc/17/26/89/619172689.db2.gz OZDCXKTYZXGMPI-MNOVXSKESA-N 2 0 264.335 2.649 10 0 CFAERP C[C@@H]([NH3+])C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000111612495 635115888 /nfs/dbraw/zinc/11/58/88/635115888.db2.gz FSLFZVFYURABFR-GFCCVEGCSA-N 2 0 255.365 2.798 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000251503822 650989365 /nfs/dbraw/zinc/98/93/65/650989365.db2.gz GMYQVFQKJWFAQQ-PKFCDNJMSA-N 2 0 254.324 2.743 10 0 CFAERP CCC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1COC ZINC000082446911 178025007 /nfs/dbraw/zinc/02/50/07/178025007.db2.gz KIICYHIEZPOZBH-UHFFFAOYSA-N 2 0 299.484 2.673 10 0 CFAERP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000503718626 282118877 /nfs/dbraw/zinc/11/88/77/282118877.db2.gz IBZLRHHUCPVRGU-XHSDSOJGSA-N 2 0 250.430 2.696 10 0 CFAERP CC(C)[N@H+](C)Cc1cncc2c1CC[NH+](CC1CC1)C2 ZINC000096067403 185085581 /nfs/dbraw/zinc/08/55/81/185085581.db2.gz ZPZRTLDOKZVSNF-UHFFFAOYSA-N 2 0 273.424 2.690 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c1Cl ZINC000261549279 282185710 /nfs/dbraw/zinc/18/57/10/282185710.db2.gz KHXDSHFEMGZPCS-KOLCDFICSA-N 2 0 253.777 2.607 10 0 CFAERP CCC1(CC)CC[NH+](CCC[C@@](C)(CO)[NH2+]C)CC1 ZINC000085213553 178977960 /nfs/dbraw/zinc/97/79/60/178977960.db2.gz ALLVEHXUGUCUNL-HNNXBMFYSA-N 2 0 270.461 2.639 10 0 CFAERP CCCC1CC[NH+](CCC[C@](C)(CO)[NH2+]CC)CC1 ZINC000085210919 178973441 /nfs/dbraw/zinc/97/34/41/178973441.db2.gz WFNZECDXANAKAG-MRXNPFEDSA-N 2 0 270.461 2.639 10 0 CFAERP CCC[NH+](CCC)[C@H]1CNc2c(C[NH3+])cccc2C1 ZINC000034741373 346319367 /nfs/dbraw/zinc/31/93/67/346319367.db2.gz JWIFZHGWAAXFMM-OAHLLOKOSA-N 2 0 261.413 2.604 10 0 CFAERP CC(C)[NH2+]CCN(CC[NH+](C(C)C)C(C)C)C(C)C ZINC000143832625 347938864 /nfs/dbraw/zinc/93/88/64/347938864.db2.gz OYUMCGDOGQTIIN-UHFFFAOYSA-N 2 0 271.493 2.814 10 0 CFAERP [NH2+]=C(CCCC1CC[NH+](C2CCCC2)CC1)NO ZINC000168136803 348047439 /nfs/dbraw/zinc/04/74/39/348047439.db2.gz JXMYWZYBZPZNPS-UHFFFAOYSA-N 2 0 253.390 2.767 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817134 179344270 /nfs/dbraw/zinc/34/42/70/179344270.db2.gz ZRCFZQUEITZPBG-JKSUJKDBSA-N 3 0 269.477 2.571 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817133 179344583 /nfs/dbraw/zinc/34/45/83/179344583.db2.gz ZRCFZQUEITZPBG-HZPDHXFCSA-N 3 0 269.477 2.571 10 0 CFAERP CCN(Cc1cccs1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847793 179356468 /nfs/dbraw/zinc/35/64/68/179356468.db2.gz RAOZZOSDKBWWLZ-MRXNPFEDSA-N 2 0 295.496 2.773 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCCC(C)(C)C2)CC1 ZINC000086848882 179357576 /nfs/dbraw/zinc/35/75/76/179357576.db2.gz QRIWDNMAUZEAKY-QGZVFWFLSA-N 2 0 281.488 2.700 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839284 179351287 /nfs/dbraw/zinc/35/12/87/179351287.db2.gz FLCZKTIVXOGOIV-GDBMZVCRSA-N 2 0 290.455 2.650 10 0 CFAERP CC(C)[N@@H+]1CCC[C@H](Nc2c[nH+]ccc2N(C)C)CC1 ZINC000086837870 179352182 /nfs/dbraw/zinc/35/21/82/179352182.db2.gz GOUQBXZHTXLWPZ-AWEZNQCLSA-N 2 0 276.428 2.822 10 0 CFAERP [NH3+][C@]12Cc3ccccc3[C@@H]1CN(Cc1ccccc1)C2 ZINC000225840948 348180320 /nfs/dbraw/zinc/18/03/20/348180320.db2.gz DDVSAHGGRSVPRQ-ROUUACIJSA-N 2 0 264.372 2.540 10 0 CFAERP C[C@H]1C[C@H](Nc2cc[nH+]cc2N)C[N@@H+]1Cc1ccccc1 ZINC000306581261 348389935 /nfs/dbraw/zinc/38/99/35/348389935.db2.gz OMTULPYBHFTGNT-ZFWWWQNUSA-N 2 0 282.391 2.739 10 0 CFAERP Cc1ccccc1NC1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000087929230 179525092 /nfs/dbraw/zinc/52/50/92/179525092.db2.gz HKZOSZLJHAMTFP-UHFFFAOYSA-N 2 0 261.413 2.609 10 0 CFAERP CCCC[C@](C=C=C(C)C)(CC)C[NH2+]CCNCCO ZINC000584602909 348686466 /nfs/dbraw/zinc/68/64/66/348686466.db2.gz CVLPAMDPFWKSFJ-KRWDZBQOSA-N 2 0 282.472 2.866 10 0 CFAERP Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)c2ccccc2[nH+]1 ZINC000630565883 355113793 /nfs/dbraw/zinc/11/37/93/355113793.db2.gz BENSMXCJXUZDQN-DGCLKSJQSA-N 2 0 255.365 2.574 10 0 CFAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000423100960 238200584 /nfs/dbraw/zinc/20/05/84/238200584.db2.gz NDWSCWSZXZGNGH-IZKTWJBDSA-N 2 0 280.456 2.700 10 0 CFAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000179515870 189199181 /nfs/dbraw/zinc/19/91/81/189199181.db2.gz IXDFTCSEFYIEQW-CYBMUJFWSA-N 2 0 296.480 2.581 10 0 CFAERP COc1ccc([C@@H](C)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000180230371 189245326 /nfs/dbraw/zinc/24/53/26/189245326.db2.gz CTANBIMKIQBPBV-LSDHHAIUSA-N 2 0 276.424 2.682 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000422807684 296145045 /nfs/dbraw/zinc/14/50/45/296145045.db2.gz PBEYVLDLRRLGDD-ZJUUUORDSA-N 2 0 283.213 2.708 10 0 CFAERP CC(C)[NH2+][C@@H](CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095088341 375410498 /nfs/dbraw/zinc/41/04/98/375410498.db2.gz VUNPAHLTIXBIGB-ROUUACIJSA-N 2 0 290.451 2.648 10 0 CFAERP C[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261508137 190040153 /nfs/dbraw/zinc/04/01/53/190040153.db2.gz PYTOABHAZVOTRP-DGCLKSJQSA-N 2 0 272.314 2.527 10 0 CFAERP CCc1nccn1[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000119285180 376385103 /nfs/dbraw/zinc/38/51/03/376385103.db2.gz KYUIQRQSEQSKIN-HNNXBMFYSA-N 2 0 277.412 2.509 10 0 CFAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(C)(C)O)CC1 ZINC000264414639 190107960 /nfs/dbraw/zinc/10/79/60/190107960.db2.gz HDDUZOJQBWCTAW-UHFFFAOYSA-N 2 0 290.451 2.601 10 0 CFAERP CCn1nc(C)c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1C ZINC000125434083 377154687 /nfs/dbraw/zinc/15/46/87/377154687.db2.gz MNWIRAGSVNGXJD-CYBMUJFWSA-N 2 0 292.471 2.902 10 0 CFAERP Cc1csc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000130932078 377633257 /nfs/dbraw/zinc/63/32/57/377633257.db2.gz AVSXLDJFKKJYBL-CYBMUJFWSA-N 2 0 288.420 2.781 10 0 CFAERP C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172066319 379480788 /nfs/dbraw/zinc/48/07/88/379480788.db2.gz RHWXDSMMESCZAV-DOTOQJQBSA-N 2 0 260.425 2.891 10 0 CFAERP CCN1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000335653019 379667775 /nfs/dbraw/zinc/66/77/75/379667775.db2.gz RDPXEDZUSTWXKW-JSGCOSHPSA-N 2 0 262.422 2.907 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000400353227 380856123 /nfs/dbraw/zinc/85/61/23/380856123.db2.gz NQOXMEKZOFADNF-ZYHUDNBSSA-N 2 0 283.213 2.537 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000400437140 380858473 /nfs/dbraw/zinc/85/84/73/380858473.db2.gz LOLGZYPXYZWPLE-LOWVWBTDSA-N 2 0 284.350 2.937 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000400437280 380859200 /nfs/dbraw/zinc/85/92/00/380859200.db2.gz NATLLYZOPXOELK-DMDPSCGWSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000400437137 380859477 /nfs/dbraw/zinc/85/94/77/380859477.db2.gz LOLGZYPXYZWPLE-DMDPSCGWSA-N 2 0 284.350 2.937 10 0 CFAERP C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400480306 380861482 /nfs/dbraw/zinc/86/14/82/380861482.db2.gz FIYLYKWINOPHEC-HIFRSBDPSA-N 2 0 254.377 2.927 10 0 CFAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343536186 381780631 /nfs/dbraw/zinc/78/06/31/381780631.db2.gz PRAZOORKEUBRIB-QDMKHBRRSA-N 2 0 268.445 2.652 10 0 CFAERP C[C@@H](CCN[C@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379638724 382507743 /nfs/dbraw/zinc/50/77/43/382507743.db2.gz ALDYBHYSMBKHOZ-WMZOPIPTSA-N 2 0 289.467 2.629 10 0 CFAERP CSCC1CCC([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000385419376 382569478 /nfs/dbraw/zinc/56/94/78/382569478.db2.gz IVUDBKOAJVOFKX-XSCHDIRWSA-N 2 0 270.486 2.825 10 0 CFAERP COc1ccccc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388342236 382606424 /nfs/dbraw/zinc/60/64/24/382606424.db2.gz XOVHXVAVJCWELE-DVOMOZLQSA-N 2 0 262.397 2.673 10 0 CFAERP C[C@H](Cc1ccsc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000575106076 382727181 /nfs/dbraw/zinc/72/71/81/382727181.db2.gz QEOLFMRVGUUYQC-YRGRVCCFSA-N 2 0 252.427 2.596 10 0 CFAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1Br ZINC000575440452 382771782 /nfs/dbraw/zinc/77/17/82/382771782.db2.gz VNIAZPMZLPCRLH-LBPRGKRZSA-N 2 0 271.202 2.886 10 0 CFAERP C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000575859734 382801814 /nfs/dbraw/zinc/80/18/14/382801814.db2.gz DLSATJIWAZYTOQ-WCQYABFASA-N 2 0 260.372 2.790 10 0 CFAERP C[NH2+]CCC[N@H+](C)CCCSc1ccccc1 ZINC000224229181 382809969 /nfs/dbraw/zinc/80/99/69/382809969.db2.gz HXXVGCDRLXRCPY-UHFFFAOYSA-N 2 0 252.427 2.710 10 0 CFAERP Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998257 383453811 /nfs/dbraw/zinc/45/38/11/383453811.db2.gz CQDRXPCHCPUHNG-AAEUAGOBSA-N 2 0 252.789 2.675 10 0 CFAERP CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261539828 383508782 /nfs/dbraw/zinc/50/87/82/383508782.db2.gz BPWDLODGXCRAHU-ZDUSSCGKSA-N 2 0 250.411 2.712 10 0 CFAERP CCCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261876414 383573928 /nfs/dbraw/zinc/57/39/28/383573928.db2.gz ZTQMTLAULHEPTP-USXIJHARSA-N 2 0 274.408 2.645 10 0 CFAERP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c(C)c1 ZINC000262017749 383595222 /nfs/dbraw/zinc/59/52/22/383595222.db2.gz WHNNHSJZMHCHBH-KURKYZTESA-N 2 0 288.435 2.550 10 0 CFAERP Cc1cccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262038271 383598727 /nfs/dbraw/zinc/59/87/27/383598727.db2.gz XYUKRGVUQBYGQQ-WBVHZDCISA-N 2 0 258.409 2.784 10 0 CFAERP Cc1csc([C@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000262227401 383612339 /nfs/dbraw/zinc/61/23/39/383612339.db2.gz NLTVKYUJODIIRG-CQSZACIVSA-N 2 0 279.453 2.978 10 0 CFAERP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000262570031 383627558 /nfs/dbraw/zinc/62/75/58/383627558.db2.gz XIHWHMRSTXUQCF-USXIJHARSA-N 2 0 297.402 2.819 10 0 CFAERP CC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[C@@H]1[NH3+] ZINC000122973721 413008384 /nfs/dbraw/zinc/00/83/84/413008384.db2.gz WQLZUOZHIARYMF-OCCSQVGLSA-N 2 0 255.365 2.798 10 0 CFAERP CSCCC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195279839 393736747 /nfs/dbraw/zinc/73/67/47/393736747.db2.gz XNDRBRPJQWIUBO-MRXNPFEDSA-N 2 0 293.480 2.588 10 0 CFAERP C[NH+]1CCC(C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000111763688 393888021 /nfs/dbraw/zinc/88/80/21/393888021.db2.gz RNLFQLBBUAHJRA-UHFFFAOYSA-N 2 0 269.392 2.666 10 0 CFAERP C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037220937 543027827 /nfs/dbraw/zinc/02/78/27/543027827.db2.gz HYNUQTQSUJIMRY-YJBOKZPZSA-N 2 0 289.467 2.609 10 0 CFAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000394523427 397549676 /nfs/dbraw/zinc/54/96/76/397549676.db2.gz WKAPJOGZNHFNPT-AAEUAGOBSA-N 2 0 260.372 2.871 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]12 ZINC000389222815 397539473 /nfs/dbraw/zinc/53/94/73/397539473.db2.gz WYBLVYSWJKIGBF-HYVNUMGLSA-N 2 0 256.393 2.733 10 0 CFAERP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000020128755 171016692 /nfs/dbraw/zinc/01/66/92/171016692.db2.gz KSUDZZFNXQAXGM-AWEZNQCLSA-N 2 0 262.397 2.919 10 0 CFAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020179638 171044349 /nfs/dbraw/zinc/04/43/49/171044349.db2.gz KZJPCHTZAKMVEU-INIZCTEOSA-N 2 0 295.858 2.613 10 0 CFAERP Cc1cc(OC[C@@H](CC[NH3+])[NH+](C)C)cc(C)c1Cl ZINC000020401687 171182107 /nfs/dbraw/zinc/18/21/07/171182107.db2.gz YVBDDIZOMAUGQS-GFCCVEGCSA-N 2 0 270.804 2.615 10 0 CFAERP CCC[NH+](CCC)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022152596 171359583 /nfs/dbraw/zinc/35/95/83/171359583.db2.gz HQTRGGBBZJHKBS-ZDUSSCGKSA-N 2 0 277.412 2.594 10 0 CFAERP C[N@H+](CCC[NH2+]C[C@H]1CCCCO1)Cc1ccccc1 ZINC000035151475 172014379 /nfs/dbraw/zinc/01/43/79/172014379.db2.gz AYJYDSUCQUIXHX-QGZVFWFLSA-N 2 0 276.424 2.667 10 0 CFAERP [NH3+]C[C@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035731339 172381656 /nfs/dbraw/zinc/38/16/56/172381656.db2.gz TZORIVMQWQYMKU-GOSISDBHSA-N 2 0 266.388 2.787 10 0 CFAERP [NH3+]CCCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000037715535 173634285 /nfs/dbraw/zinc/63/42/85/173634285.db2.gz CHVCTYWECKNUAB-LBPRGKRZSA-N 2 0 299.212 2.601 10 0 CFAERP CC[C@@H]([NH3+])Cc1ccccc1OCC[NH+](CC)CC ZINC000037724691 173643765 /nfs/dbraw/zinc/64/37/65/173643765.db2.gz AZWZFDJIZSVTTN-OAHLLOKOSA-N 2 0 264.413 2.687 10 0 CFAERP C[C@@H]([NH3+])c1cc(F)ccc1OCC[C@H]1CCC[N@@H+]1C ZINC000040240637 174213473 /nfs/dbraw/zinc/21/34/73/174213473.db2.gz WIJIGWCFQGCJIY-DGCLKSJQSA-N 2 0 266.360 2.709 10 0 CFAERP C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000040668681 174367435 /nfs/dbraw/zinc/36/74/35/174367435.db2.gz FWTZZAXRDBVBSW-XMTFNYHQSA-N 2 0 295.515 2.817 10 0 CFAERP CCOC1CC[NH+]([C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000040689332 174376362 /nfs/dbraw/zinc/37/63/62/174376362.db2.gz KKIQFNRJKOKVEY-CABCVRRESA-N 2 0 254.418 2.537 10 0 CFAERP [NH3+][C@H]1CCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693947 174377748 /nfs/dbraw/zinc/37/77/48/174377748.db2.gz PQJNATYVROPDKL-DLBZAZTESA-N 2 0 279.472 2.597 10 0 CFAERP [NH3+]C[C@H](c1ccsc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693847 174377856 /nfs/dbraw/zinc/37/78/56/174377856.db2.gz WSRCCYFMPPFNGO-MRXNPFEDSA-N 2 0 293.480 2.698 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCc2ccc(O)cc2)C1 ZINC000040735911 174388995 /nfs/dbraw/zinc/38/89/95/174388995.db2.gz QHNUSNYQGXYVTC-ZBFHGGJFSA-N 2 0 276.424 2.645 10 0 CFAERP CC[N@H+](CCOc1ccc(C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748214 174393423 /nfs/dbraw/zinc/39/34/23/174393423.db2.gz ZSVLFVMLPOXRKL-SJPCQFCGSA-N 2 0 288.435 2.979 10 0 CFAERP C[C@H](c1cc(F)ccc1F)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040748975 174393820 /nfs/dbraw/zinc/39/38/20/174393820.db2.gz RHLIWWVMYBQMJX-NSNUZPRRSA-N 2 0 266.335 2.980 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccccc12 ZINC000040749432 174394059 /nfs/dbraw/zinc/39/40/59/174394059.db2.gz BHFMOMFEMVJYRE-AGUYFDCRSA-N 2 0 255.365 2.622 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1Br ZINC000040749377 174394166 /nfs/dbraw/zinc/39/41/66/174394166.db2.gz OCLYDGRAROEUFY-YHWZYXNKSA-N 2 0 295.224 2.903 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ncccc2c1 ZINC000040750375 174395080 /nfs/dbraw/zinc/39/50/80/174395080.db2.gz OJIFTCZTCPZXPR-MQVJKMGUSA-N 2 0 267.376 2.689 10 0 CFAERP CC[NH+]1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000040768420 174398849 /nfs/dbraw/zinc/39/88/49/174398849.db2.gz HOTIKVBSHDWOMN-UHFFFAOYSA-N 2 0 284.407 2.651 10 0 CFAERP CC[NH+](CC)CCc1nc(C)c([C@@H](C)[NH2+]C)s1 ZINC000040994232 174446461 /nfs/dbraw/zinc/44/64/61/174446461.db2.gz OWICRXBEBPYJLH-SNVBAGLBSA-N 2 0 255.431 2.616 10 0 CFAERP C[C@H](Cn1ccc2c1CCC[C@@H]2[NH3+])[NH+]1CCCCC1 ZINC000041721955 174618115 /nfs/dbraw/zinc/61/81/15/174618115.db2.gz ZOSQPCUNPTUURF-HIFRSBDPSA-N 2 0 261.413 2.699 10 0 CFAERP C[NH+](C)C1CCN([C@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390355 175033500 /nfs/dbraw/zinc/03/35/00/175033500.db2.gz LNLNDPWVFGXLLQ-OAHLLOKOSA-N 2 0 299.821 2.505 10 0 CFAERP Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000043480114 175055639 /nfs/dbraw/zinc/05/56/39/175055639.db2.gz OUHDQSPEZPIHGF-LBPRGKRZSA-N 2 0 280.799 2.620 10 0 CFAERP C[C@@H](C[C@H](C[NH3+])N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043534826 175062667 /nfs/dbraw/zinc/06/26/67/175062667.db2.gz QWYVDECDIIHYEG-MAUKXSAKSA-N 2 0 289.467 2.534 10 0 CFAERP Cc1occc1C[N@H+](C)CCC[C@@H]1CCC[NH2+]C1 ZINC000043591996 175074297 /nfs/dbraw/zinc/07/42/97/175074297.db2.gz RINXPWXYSFZARD-AWEZNQCLSA-N 2 0 250.386 2.800 10 0 CFAERP CC[NH+]1CCN([C@H](C(C)C)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805807 175107376 /nfs/dbraw/zinc/10/73/76/175107376.db2.gz HBQGVXYGUAAFKR-QZTJIDSGSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N1CC[NH+](CC)CC1 ZINC000043806237 175108554 /nfs/dbraw/zinc/10/85/54/175108554.db2.gz GFEFLCMVKAZMAP-HOTGVXAUSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043811023 175110587 /nfs/dbraw/zinc/11/05/87/175110587.db2.gz GUSXGEWZSFXLSW-SJLPKXTDSA-N 2 0 289.467 2.672 10 0 CFAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000043815243 175111490 /nfs/dbraw/zinc/11/14/90/175111490.db2.gz PRPUYRMRVFBZNT-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815455 175112274 /nfs/dbraw/zinc/11/22/74/175112274.db2.gz BHGFCVARJCNXIW-SJORKVTESA-N 2 0 283.504 2.959 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815450 175112409 /nfs/dbraw/zinc/11/24/09/175112409.db2.gz BHGFCVARJCNXIW-DLBZAZTESA-N 2 0 283.504 2.959 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815361 175112429 /nfs/dbraw/zinc/11/24/29/175112429.db2.gz NHMICOKJDSUMMS-HOTGVXAUSA-N 2 0 269.477 2.569 10 0 CFAERP CCc1ccc([C@H]([NH2+]C)[C@@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000043818259 175112947 /nfs/dbraw/zinc/11/29/47/175112947.db2.gz NCKUOYTWEXJKFW-CRAIPNDOSA-N 2 0 289.467 2.536 10 0 CFAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1c(C)cc(C)cc1C ZINC000043818156 175113154 /nfs/dbraw/zinc/11/31/54/175113154.db2.gz NVCAGDJKZNYFCW-KRWDZBQOSA-N 2 0 289.467 2.510 10 0 CFAERP CCc1ccc([C@@H]([NH2+]C)[C@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000043818265 175113439 /nfs/dbraw/zinc/11/34/39/175113439.db2.gz NCKUOYTWEXJKFW-YJBOKZPZSA-N 2 0 289.467 2.536 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897079 175120068 /nfs/dbraw/zinc/12/00/68/175120068.db2.gz OSPIMYQUWUURBX-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897409 175120473 /nfs/dbraw/zinc/12/04/73/175120473.db2.gz NBZDPYPMTPMFPT-YJBOKZPZSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+][C@@H](CC)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907831 175123089 /nfs/dbraw/zinc/12/30/89/175123089.db2.gz OFEWKFUJARMTEA-RDJZCZTQSA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907691 175123113 /nfs/dbraw/zinc/12/31/13/175123113.db2.gz DGFVVLYPPAWLBV-ROUUACIJSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907902 175123420 /nfs/dbraw/zinc/12/34/20/175123420.db2.gz AEDCBFXVCSYXTB-ROUUACIJSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965665 175127322 /nfs/dbraw/zinc/12/73/22/175127322.db2.gz WWTXCSTWIVOAJY-BBWFWOEESA-N 2 0 295.515 2.959 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967939 175129104 /nfs/dbraw/zinc/12/91/04/175129104.db2.gz LCVLSDJNXQTRIN-QZTJIDSGSA-N 2 0 293.499 2.715 10 0 CFAERP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000043967614 175129256 /nfs/dbraw/zinc/12/92/56/175129256.db2.gz QKCDNXQTMFMXPB-QZTJIDSGSA-N 2 0 287.451 2.506 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967987 175129267 /nfs/dbraw/zinc/12/92/67/175129267.db2.gz QSNFJKFPLFVQQA-NXHRZFHOSA-N 2 0 293.499 2.571 10 0 CFAERP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@H+](CC)CCOC ZINC000043968587 175129877 /nfs/dbraw/zinc/12/98/77/175129877.db2.gz VSYIJKKNFVYMII-CQSZACIVSA-N 2 0 294.439 2.834 10 0 CFAERP C[NH2+][C@H]1CCCCC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970228 175130949 /nfs/dbraw/zinc/13/09/49/175130949.db2.gz XKRIXQGAQZQQQE-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970701 175131911 /nfs/dbraw/zinc/13/19/11/175131911.db2.gz CPDCJSRXKNQMCD-ROUUACIJSA-N 2 0 295.515 2.961 10 0 CFAERP C[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)c1ccc(C)cc1 ZINC000043970544 175132124 /nfs/dbraw/zinc/13/21/24/175132124.db2.gz OPZIENJUWCAQQQ-SFHVURJKSA-N 2 0 289.467 2.529 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N(CCOC)[C@@H](C)COC ZINC000043975886 175133092 /nfs/dbraw/zinc/13/30/92/175133092.db2.gz WBJVJJJOQSROIT-ARFHVFGLSA-N 2 0 288.476 2.527 10 0 CFAERP CCC[NH2+][C@@H](CC)[C@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000043978508 175133280 /nfs/dbraw/zinc/13/32/80/175133280.db2.gz IJQLPJBUXFENIR-HOCLYGCPSA-N 2 0 269.477 2.569 10 0 CFAERP C[NH2+][C@H](CN(CC[NH+](C)C)CC(C)C)c1ccc(C)cc1 ZINC000043981958 175133883 /nfs/dbraw/zinc/13/38/83/175133883.db2.gz LSVUUFSRXWLBHP-GOSISDBHSA-N 2 0 291.483 2.775 10 0 CFAERP CCC[NH2+][C@H](CC)[C@H](C)N(CC[NH+](C)C)CC(C)C ZINC000043982369 175134402 /nfs/dbraw/zinc/13/44/02/175134402.db2.gz QTUUFYWNYRGZAO-JKSUJKDBSA-N 2 0 271.493 2.673 10 0 CFAERP C[C@H](C[NH+]1CCCCC1)n1c(N)[nH+]c2ccccc21 ZINC000044388144 175169976 /nfs/dbraw/zinc/16/99/76/175169976.db2.gz JMDJMIKMQAXAMN-GFCCVEGCSA-N 2 0 258.369 2.665 10 0 CFAERP CCc1cccc2c(C[NH+]3CCC(C[NH3+])CC3)c[nH]c21 ZINC000044512275 175188260 /nfs/dbraw/zinc/18/82/60/175188260.db2.gz KPHGDQZWOQODKW-UHFFFAOYSA-N 2 0 271.408 2.901 10 0 CFAERP CCOc1ccccc1[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044512053 175188430 /nfs/dbraw/zinc/18/84/30/175188430.db2.gz IVDHCHNIDACASY-ZDUSSCGKSA-N 2 0 262.397 2.817 10 0 CFAERP CC[NH+]1CCC(CNc2ccc(N)c3c[nH+]ccc23)CC1 ZINC000044517035 175190500 /nfs/dbraw/zinc/19/05/00/175190500.db2.gz GBGIGILZMYBIRP-UHFFFAOYSA-N 2 0 284.407 2.961 10 0 CFAERP [NH3+]C[C@H]1CCC[N@@H+]([C@@H]2CCSc3ccccc32)C1 ZINC000044527882 175192757 /nfs/dbraw/zinc/19/27/57/175192757.db2.gz KRBBTTXOFCKEAU-TZMCWYRMSA-N 2 0 262.422 2.894 10 0 CFAERP [NH3+]C[C@H]1CCC[N@@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000044528083 175192962 /nfs/dbraw/zinc/19/29/62/175192962.db2.gz DIVCPDQHYCTOMJ-BXUZGUMPSA-N 2 0 250.411 2.870 10 0 CFAERP [NH3+]C[C@H]1CCC[N@H+](CC23CC4CC(CC(C4)C2)C3)C1 ZINC000044529784 175193858 /nfs/dbraw/zinc/19/38/58/175193858.db2.gz QLAVGNQVKKVVDS-CWJHNBGESA-N 2 0 262.441 2.874 10 0 CFAERP COc1cccc(C[NH2+]CCCC[N@H+](C)C(C)C)c1 ZINC000044573238 175210228 /nfs/dbraw/zinc/21/02/28/175210228.db2.gz ZJASXTKZEFNEEY-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660207 175226232 /nfs/dbraw/zinc/22/62/32/175226232.db2.gz ZNPKNFXVQUADKA-YALNPMBYSA-N 2 0 258.409 2.720 10 0 CFAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000044674833 175226997 /nfs/dbraw/zinc/22/69/97/175226997.db2.gz SVZBNHWYHXEAAQ-SLUKUZTOSA-N 2 0 256.393 2.757 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)COCC)C1 ZINC000044690776 175233376 /nfs/dbraw/zinc/23/33/76/175233376.db2.gz SJKIZFIUYPRHAD-ZNMIVQPWSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)[NH+](CCNC(=O)C1(C[NH3+])CCCCCC1)C(C)C ZINC000044762016 175246225 /nfs/dbraw/zinc/24/62/25/175246225.db2.gz APICGPGMRKCQES-UHFFFAOYSA-N 2 0 297.487 2.521 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2C[C@H](C)[NH+]1CCCCC1 ZINC000045005562 175288491 /nfs/dbraw/zinc/28/84/91/175288491.db2.gz SRKUNFJBROOBKY-ZDUSSCGKSA-N 2 0 272.396 2.801 10 0 CFAERP C[N@H+](CCCC(=O)Nc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068493 175300030 /nfs/dbraw/zinc/30/00/30/175300030.db2.gz LRNMRJLJKUYOTP-UHFFFAOYSA-N 2 0 291.439 2.842 10 0 CFAERP CCCC[NH+](CCCC)CCCC[C@](C)([NH3+])C(=O)OC ZINC000045380564 175369269 /nfs/dbraw/zinc/36/92/69/175369269.db2.gz FEROTBDGDACHTH-INIZCTEOSA-N 2 0 286.460 2.949 10 0 CFAERP CC[NH2+][C@](C)(CCCC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045419147 175377560 /nfs/dbraw/zinc/37/75/60/175377560.db2.gz ONVBASFMPIZIFS-QGZVFWFLSA-N 2 0 297.487 2.665 10 0 CFAERP CC[NH2+][C@](C)(CCCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420400 175378402 /nfs/dbraw/zinc/37/84/02/175378402.db2.gz ZQSUTKKYWUPFFF-QGZVFWFLSA-N 2 0 299.503 2.624 10 0 CFAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420999 175380327 /nfs/dbraw/zinc/38/03/27/175380327.db2.gz KJAMJOHCCLOMLZ-YOEHRIQHSA-N 2 0 299.503 2.765 10 0 CFAERP CCC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267691 176101312 /nfs/dbraw/zinc/10/13/12/176101312.db2.gz DSNHVYLGBACFNI-SNVBAGLBSA-N 2 0 251.349 2.730 10 0 CFAERP C[N@H+](CCC[C@H]([NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000071401681 176153767 /nfs/dbraw/zinc/15/37/67/176153767.db2.gz FSJKCCFUIULELL-CABCVRRESA-N 2 0 264.438 2.904 10 0 CFAERP CC1(C)CCC(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000261572601 278196471 /nfs/dbraw/zinc/19/64/71/278196471.db2.gz LTRNMQZJEVOZTJ-RRFJBIMHSA-N 2 0 250.430 2.872 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC000106124306 278289363 /nfs/dbraw/zinc/28/93/63/278289363.db2.gz YAMIXTYQCZDONP-HNNXBMFYSA-N 2 0 282.472 2.591 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000400437285 278364457 /nfs/dbraw/zinc/36/44/57/278364457.db2.gz NATLLYZOPXOELK-LOWVWBTDSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000105862255 278395840 /nfs/dbraw/zinc/39/58/40/278395840.db2.gz YGKRNQIXJCVJIC-CVEARBPZSA-N 2 0 290.451 2.772 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000400649291 290009003 /nfs/dbraw/zinc/00/90/03/290009003.db2.gz PPDBWGQPEPPETD-QCNOEVLYSA-N 2 0 264.335 2.838 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CCC(F)(F)CC1 ZINC000423265394 290012668 /nfs/dbraw/zinc/01/26/68/290012668.db2.gz CXABCFRXCLGBNZ-WCFLWFBJSA-N 2 0 260.372 2.917 10 0 CFAERP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000312646868 290016395 /nfs/dbraw/zinc/01/63/95/290016395.db2.gz FAQYRDIHJYOESZ-UAGQMJEPSA-N 2 0 274.408 2.645 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000389910718 324521213 /nfs/dbraw/zinc/52/12/13/324521213.db2.gz JNMNITVUOLLLHG-NVXWUHKLSA-N 2 0 276.424 2.714 10 0 CFAERP CC(C)CCOCC[N@H+](CCC[NH3+])C1CCCC1 ZINC000049265187 519665598 /nfs/dbraw/zinc/66/55/98/519665598.db2.gz QLCXRSZKQQKOAA-UHFFFAOYSA-N 2 0 256.434 2.643 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+](C)C2CCCC2)CCOCC1 ZINC000052181348 519719991 /nfs/dbraw/zinc/71/99/91/519719991.db2.gz UCYGFRYMZIAQLG-UHFFFAOYSA-N 2 0 268.445 2.656 10 0 CFAERP CCCC1CC[NH+](CCCC[C@](C)([NH2+]CC)C(N)=O)CC1 ZINC000050905938 519900802 /nfs/dbraw/zinc/90/08/02/519900802.db2.gz AHDTUXWBQANSOO-KRWDZBQOSA-N 2 0 297.487 2.522 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)CCC(C)C)CCOCC1 ZINC000052197844 519909499 /nfs/dbraw/zinc/90/94/99/519909499.db2.gz GOBMDODUJUROPQ-UHFFFAOYSA-N 2 0 270.461 2.761 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181739 519910140 /nfs/dbraw/zinc/91/01/40/519910140.db2.gz YZEOVXKIVNPTQY-OAHLLOKOSA-N 2 0 270.461 2.759 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)CC(C)C)O1 ZINC000052449897 519924781 /nfs/dbraw/zinc/92/47/81/519924781.db2.gz HLZXKNBODYIDHG-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+](CCC)CCC)O1 ZINC000052416854 519927664 /nfs/dbraw/zinc/92/76/64/519927664.db2.gz VWPKIAHARRXNCR-LSDHHAIUSA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+]Cc1occc1C[N@H+](CC)[C@H](C)COC ZINC000052504830 519973890 /nfs/dbraw/zinc/97/38/90/519973890.db2.gz HSWPPOSGNANXFT-CYBMUJFWSA-N 2 0 268.401 2.636 10 0 CFAERP CC[NH2+]Cc1cc(C[N@@H+]2CCCC[C@@H]2CC)on1 ZINC000052447556 519987794 /nfs/dbraw/zinc/98/77/94/519987794.db2.gz DGOQDUVUANWXJH-ZDUSSCGKSA-N 2 0 251.374 2.549 10 0 CFAERP C[NH2+]Cc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000052381926 522121555 /nfs/dbraw/zinc/12/15/55/522121555.db2.gz OEAPOHPWEAWDIF-UHFFFAOYSA-N 2 0 262.397 2.661 10 0 CFAERP C[NH2+]Cc1oc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000052420954 522162228 /nfs/dbraw/zinc/16/22/28/522162228.db2.gz CXXQXVFNVORKDN-TXEJJXNPSA-N 2 0 250.386 2.785 10 0 CFAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382070 518763049 /nfs/dbraw/zinc/76/30/49/518763049.db2.gz ZOGLEFAAMFWQKS-CABCVRRESA-N 2 0 268.445 2.798 10 0 CFAERP CC(C)[N@H+](C)CCCC[NH2+]CC[C@@H]1CCCC[NH+]1C ZINC000052206265 519616240 /nfs/dbraw/zinc/61/62/40/519616240.db2.gz WVFQNAYCNLKOPD-INIZCTEOSA-N 3 0 269.477 2.571 10 0 CFAERP CC(C)[NH2+]CC1(C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180556 519720339 /nfs/dbraw/zinc/72/03/39/519720339.db2.gz PBLPBAUKZRFJPW-HOTGVXAUSA-N 2 0 282.472 2.759 10 0 CFAERP CC(C)[NH2+]C[C@@H](OCC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000052672819 519723071 /nfs/dbraw/zinc/72/30/71/519723071.db2.gz LPVWBHGSRYAFSY-HUUCEWRRSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457397 519723438 /nfs/dbraw/zinc/72/34/38/519723438.db2.gz XVANJICQIABFPW-GJZGRUSLSA-N 2 0 282.453 2.726 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CC(C)(C)C)O1 ZINC000052570189 519725064 /nfs/dbraw/zinc/72/50/64/519725064.db2.gz VBDWELGMNCYRHL-KGLIPLIRSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)[NH2+]Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000052443267 519726935 /nfs/dbraw/zinc/72/69/35/519726935.db2.gz ASKXIQWBVAECRK-UHFFFAOYSA-N 2 0 264.438 2.733 10 0 CFAERP CC(C)C[NH2+]CCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380754 519743186 /nfs/dbraw/zinc/74/31/86/519743186.db2.gz ZMSPNYITAFDJTA-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[NH2+]CCCC[N@H+](CCN(C)C)CC(C)C ZINC000052503258 519743410 /nfs/dbraw/zinc/74/34/10/519743410.db2.gz BVKLAXDWSMQTBT-UHFFFAOYSA-N 2 0 271.493 2.532 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCCC2)O1 ZINC000052444990 519745269 /nfs/dbraw/zinc/74/52/69/519745269.db2.gz GHBWGTONNBGERF-JKSUJKDBSA-N 2 0 268.445 2.654 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417547 519746072 /nfs/dbraw/zinc/74/60/72/519746072.db2.gz MDTLGPDFWUFLCE-MSOLQXFVSA-N 2 0 290.451 2.912 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382073 519746412 /nfs/dbraw/zinc/74/64/12/519746412.db2.gz JFVHKYSQEJOHMW-HZPDHXFCSA-N 2 0 268.445 2.656 10 0 CFAERP CC(C)C[NH2+]Cc1ccccc1OCC[NH+]1CCCC1 ZINC000052377428 519747685 /nfs/dbraw/zinc/74/76/85/519747685.db2.gz HMHVEWNXWVPGCA-UHFFFAOYSA-N 2 0 276.424 2.907 10 0 CFAERP CCCC1CC[NH+](CC2(C[NH2+]CC)CCOCC2)CC1 ZINC000052182111 519900798 /nfs/dbraw/zinc/90/07/98/519900798.db2.gz DZCYUOOYBYCPJY-UHFFFAOYSA-N 2 0 282.472 2.905 10 0 CFAERP CCCC1CC[NH+](Cc2ccccc2C(N)=[NH2+])CC1 ZINC000050893885 519902295 /nfs/dbraw/zinc/90/22/95/519902295.db2.gz QLTGOGVYQPUGJI-UHFFFAOYSA-N 2 0 259.397 2.983 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCCC[C@H]2C)CCOCC1 ZINC000052180693 519909962 /nfs/dbraw/zinc/90/99/62/519909962.db2.gz BTUXZYDPHXMBNF-OAHLLOKOSA-N 2 0 268.445 2.657 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)C(CC)CC)CCOCC1 ZINC000052181718 519911547 /nfs/dbraw/zinc/91/15/47/519911547.db2.gz JAXSJHODKWEIFN-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH2+]CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418169 519912323 /nfs/dbraw/zinc/91/23/23/519912323.db2.gz JLMBWTKSMCLGDO-UHFFFAOYSA-N 2 0 293.430 2.728 10 0 CFAERP CCC[NH2+]CCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416922 519912455 /nfs/dbraw/zinc/91/24/55/519912455.db2.gz NMGKWYUIZLEVTP-GOSISDBHSA-N 2 0 289.467 2.755 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424733 519954004 /nfs/dbraw/zinc/95/40/04/519954004.db2.gz HHTCJTQKZLVVEI-DLBZAZTESA-N 2 0 276.424 2.584 10 0 CFAERP CCC[NH2+]Cc1ccccc1C[NH+]1CCSCC1 ZINC000052443309 519956773 /nfs/dbraw/zinc/95/67/73/519956773.db2.gz JCGLXOPEBKZEDC-UHFFFAOYSA-N 2 0 264.438 2.735 10 0 CFAERP CCC[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380889 519957249 /nfs/dbraw/zinc/95/72/49/519957249.db2.gz DTZGWDYHBUICAY-GJZGRUSLSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476744 519957328 /nfs/dbraw/zinc/95/73/28/519957328.db2.gz RYOYMCHHRMBBQO-GJZGRUSLSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453163 519958418 /nfs/dbraw/zinc/95/84/18/519958418.db2.gz VRQXBZHQLOSNFT-CYBMUJFWSA-N 2 0 268.426 2.717 10 0 CFAERP CCC[NH2+]Cc1occc1C[N@H+](CC)[C@@H](C)COC ZINC000052504828 519972147 /nfs/dbraw/zinc/97/21/47/519972147.db2.gz HSWPPOSGNANXFT-ZDUSSCGKSA-N 2 0 268.401 2.636 10 0 CFAERP CCC[NH2+][C@@H](CC)CN1CCC([NH+]2CCCCC2)CC1 ZINC000050179433 519990453 /nfs/dbraw/zinc/99/04/53/519990453.db2.gz YCPFSZCZXGAOPW-INIZCTEOSA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H](CCC)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065016 519993363 /nfs/dbraw/zinc/99/33/63/519993363.db2.gz CHVOLQAESPCSFC-HOTGVXAUSA-N 2 0 269.477 2.571 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000052381375 520006504 /nfs/dbraw/zinc/00/65/04/520006504.db2.gz BJJUUHCYHBDRTJ-HNNXBMFYSA-N 2 0 276.424 2.907 10 0 CFAERP CC[NH2+][C@@H](C)c1c(F)cccc1N1CC[NH+](C2CC2)CC1 ZINC000048994136 520074084 /nfs/dbraw/zinc/07/40/84/520074084.db2.gz MZSRPTIBBSXFHT-ZDUSSCGKSA-N 2 0 291.414 2.781 10 0 CFAERP CC[N@H+](C)CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000052446117 520241807 /nfs/dbraw/zinc/24/18/07/520241807.db2.gz FHDRHEBOVCDXHU-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CCCC[NH+](CCCC)C[C@H]1CC[C@@H](C[NH2+]C)O1 ZINC000052443629 520496881 /nfs/dbraw/zinc/49/68/81/520496881.db2.gz WSBGYWNCUMHIOH-LSDHHAIUSA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH+](CC)[C@H]1CCN(c2ccccc2[C@@H](C)[NH3+])C1 ZINC000062980804 520875766 /nfs/dbraw/zinc/87/57/66/520875766.db2.gz KKZLDCAGVJFZEG-KGLIPLIRSA-N 2 0 261.413 2.627 10 0 CFAERP CC[N@H+](CC1(C[NH2+]CC(C)C)CCOCC1)C1CC1 ZINC000052181262 520937216 /nfs/dbraw/zinc/93/72/16/520937216.db2.gz LSDCLBTUKYKSQC-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N1CC[NH+]([C@H](C)CC)CC1 ZINC000069380868 521119901 /nfs/dbraw/zinc/11/99/01/521119901.db2.gz WFUICEMQGPZNQG-CVEARBPZSA-N 2 0 269.477 2.700 10 0 CFAERP CC[N@H+](CCOc1ccc(C[NH2+]C)cc1)C(C)C ZINC000052446835 521149366 /nfs/dbraw/zinc/14/93/66/521149366.db2.gz DZUSNLFJCGQNBP-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CCCC[C@](CC)(C[NH3+])[N@H+](C)C[C@@H]1CCCCO1 ZINC000069380086 521253008 /nfs/dbraw/zinc/25/30/08/521253008.db2.gz MHDPOFLJMBWJBY-LSDHHAIUSA-N 2 0 256.434 2.785 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000069380558 521253581 /nfs/dbraw/zinc/25/35/81/521253581.db2.gz JBGBBHJUVSTQBH-MRXNPFEDSA-N 2 0 271.493 2.804 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+]([C@H](C)CC)CC1 ZINC000069380873 521256231 /nfs/dbraw/zinc/25/62/31/521256231.db2.gz WFUICEMQGPZNQG-HZPDHXFCSA-N 2 0 269.477 2.700 10 0 CFAERP CC[N@H+](C[C@H]1CCCO1)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052510968 521269868 /nfs/dbraw/zinc/26/98/68/521269868.db2.gz NTCIIITYBAYCDX-JKSUJKDBSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[N@H+](CC1CC1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182661 521624942 /nfs/dbraw/zinc/62/49/42/521624942.db2.gz UGAPIIMZJBDHSS-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CCOC1CC[NH+](CCCC[NH2+]C(C)(C)C)CC1 ZINC000052483929 521655809 /nfs/dbraw/zinc/65/58/09/521655809.db2.gz OZENDRPBSZCLKH-UHFFFAOYSA-N 2 0 256.434 2.656 10 0 CFAERP CCCn1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157471195 521656960 /nfs/dbraw/zinc/65/69/60/521656960.db2.gz LESLPEDGBFOWRF-JKSUJKDBSA-N 2 0 261.413 2.615 10 0 CFAERP CCC[N@H+](CC[C@@H](C[NH3+])OCC)Cc1ccccc1 ZINC000062740932 521669265 /nfs/dbraw/zinc/66/92/65/521669265.db2.gz MCGCVRQMQWDQDM-INIZCTEOSA-N 2 0 264.413 2.653 10 0 CFAERP C[NH2+]CC[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443897 522019101 /nfs/dbraw/zinc/01/91/01/522019101.db2.gz MQPWORFZJYTTIO-HNNXBMFYSA-N 2 0 260.425 2.939 10 0 CFAERP C[NH2+]C[C@@H](O[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000061702386 522038527 /nfs/dbraw/zinc/03/85/27/522038527.db2.gz BGHBRXWFFQSDBK-DLBZAZTESA-N 2 0 276.424 2.522 10 0 CFAERP CC[C@@H](C)[N@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052451217 522081658 /nfs/dbraw/zinc/08/16/58/522081658.db2.gz AQNIMGPNNGGWSK-CQSZACIVSA-N 2 0 264.413 2.905 10 0 CFAERP C[NH2+]Cc1c2ccccc2oc1C[NH+]1CCSCC1 ZINC000052425701 522099538 /nfs/dbraw/zinc/09/95/38/522099538.db2.gz GRYOWGIEPDELQJ-UHFFFAOYSA-N 2 0 276.405 2.701 10 0 CFAERP C[NH2+]Cc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)oc1C ZINC000052420591 522109272 /nfs/dbraw/zinc/10/92/72/522109272.db2.gz FMXDCHJQVUMENX-VXGBXAGGSA-N 2 0 250.386 2.785 10 0 CFAERP C[NH2+]Cc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000052419158 522116526 /nfs/dbraw/zinc/11/65/26/522116526.db2.gz ZBZXGHCIMQPRSM-UHFFFAOYSA-N 2 0 266.388 2.964 10 0 CFAERP C[NH2+]Cc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000052381390 522121800 /nfs/dbraw/zinc/12/18/00/522121800.db2.gz ZWLCGQKENKHGGQ-AWEZNQCLSA-N 2 0 262.397 2.517 10 0 CFAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCc2ccccc2C1 ZINC000052419093 522142876 /nfs/dbraw/zinc/14/28/76/522142876.db2.gz CTJOKTRESZBBFC-UHFFFAOYSA-N 2 0 256.349 2.557 10 0 CFAERP C[NH2+]Cc1oc2ccccc2c1C[NH+]1CCSCC1 ZINC000052425552 522159560 /nfs/dbraw/zinc/15/95/60/522159560.db2.gz LGIINMMGPOUTCU-UHFFFAOYSA-N 2 0 276.405 2.701 10 0 CFAERP C[NH2+]Cc1oc2ccccc2c1C[NH+]1CCC(OC)CC1 ZINC000052455225 522160851 /nfs/dbraw/zinc/16/08/51/522160851.db2.gz SEDRPUUDFAAAFW-UHFFFAOYSA-N 2 0 288.391 2.763 10 0 CFAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C)cc1C ZINC000234696136 522669148 /nfs/dbraw/zinc/66/91/48/522669148.db2.gz CIURXFMMFNGOER-CABCVRRESA-N 2 0 264.413 2.708 10 0 CFAERP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(O)cc1 ZINC000049553201 522732832 /nfs/dbraw/zinc/73/28/32/522732832.db2.gz XHLDYRQEHASZMF-DOMZBBRYSA-N 2 0 250.386 2.773 10 0 CFAERP C[N@@H+](Cc1ccco1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052456885 523435753 /nfs/dbraw/zinc/43/57/53/523435753.db2.gz FCCPUUVYJQYXEN-DZGCQCFKSA-N 2 0 280.412 2.647 10 0 CFAERP CCn1cc[nH+]c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000050608289 523551225 /nfs/dbraw/zinc/55/12/25/523551225.db2.gz SMHIEMDTCQBWJZ-ZDUSSCGKSA-N 2 0 250.390 2.579 10 0 CFAERP COCC[N@H+](CCCC1CC[NH2+]CC1)[C@@H](C)C1CC1 ZINC000050953771 523694586 /nfs/dbraw/zinc/69/45/86/523694586.db2.gz ZTLWYQHQWMOFIN-AWEZNQCLSA-N 2 0 268.445 2.513 10 0 CFAERP COc1ccc(C[N@H+](CCC[NH3+])CC(C)C)cc1 ZINC000068817377 524012540 /nfs/dbraw/zinc/01/25/40/524012540.db2.gz YIAKMIUPPITFCK-UHFFFAOYSA-N 2 0 250.386 2.502 10 0 CFAERP CCc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000234140645 524027421 /nfs/dbraw/zinc/02/74/21/524027421.db2.gz WDQOIWVIVVUXAV-CJNGLKHVSA-N 2 0 264.413 2.654 10 0 CFAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481862 524142649 /nfs/dbraw/zinc/14/26/49/524142649.db2.gz JHWDAUJHQCMZFB-CYBMUJFWSA-N 2 0 256.434 2.654 10 0 CFAERP C[C@@H]1CCC[N@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000052381347 524233475 /nfs/dbraw/zinc/23/34/75/524233475.db2.gz QPDQUSBMFYQNMA-GFCCVEGCSA-N 2 0 265.401 2.795 10 0 CFAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)[C@@H]1CCSC1 ZINC000052453495 524456853 /nfs/dbraw/zinc/45/68/53/524456853.db2.gz MHPCWGGGCQCSNP-QWHCGFSZSA-N 2 0 258.475 2.981 10 0 CFAERP C[C@@H](CC[NH+](C)C)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049559107 524480689 /nfs/dbraw/zinc/48/06/89/524480689.db2.gz OWXAAZULHNFNQF-VIFPVBQESA-N 2 0 266.776 2.785 10 0 CFAERP Cc1cccc(N2CC[NH+](CCCC[C@H](C)[NH3+])CC2)c1 ZINC000045599105 524555720 /nfs/dbraw/zinc/55/57/20/524555720.db2.gz BVPQBUKCDMWLTO-INIZCTEOSA-N 2 0 275.440 2.635 10 0 CFAERP Cc1ccccc1CN(C)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000048872015 525127954 /nfs/dbraw/zinc/12/79/54/525127954.db2.gz OONKKRSTBNYUGS-UHFFFAOYSA-N 2 0 289.467 2.629 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000050563681 525639287 /nfs/dbraw/zinc/63/92/87/525639287.db2.gz HYZQUDIMKCGOGP-NWDGAFQWSA-N 2 0 250.361 2.905 10 0 CFAERP Cc1occc1C[N@H+](C)CCC[C@H]1CCCC[NH2+]1 ZINC000050953186 526822579 /nfs/dbraw/zinc/82/25/79/526822579.db2.gz OCGHGUNQVHWXJB-OAHLLOKOSA-N 2 0 250.386 2.942 10 0 CFAERP Cc1occc1C[N@H+](C)CCC[C@@H]1CCCC[NH2+]1 ZINC000050953184 526823496 /nfs/dbraw/zinc/82/34/96/526823496.db2.gz OCGHGUNQVHWXJB-HNNXBMFYSA-N 2 0 250.386 2.942 10 0 CFAERP [NH3+]CC1(N2CC[NH+](C3CCCC3)CC2)CCCCCCC1 ZINC000052060793 527163264 /nfs/dbraw/zinc/16/32/64/527163264.db2.gz DFMIORTUPJRRRG-UHFFFAOYSA-N 2 0 293.499 2.988 10 0 CFAERP [NH3+]C1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000051693921 618231771 /nfs/dbraw/zinc/23/17/71/618231771.db2.gz SSPMSBCAGADTDJ-UHFFFAOYSA-N 2 0 289.242 2.870 10 0 CFAERP C[NH2+]C[C@@H]1CCCCN1c1cc[nH+]c2ccccc21 ZINC000053706844 618938550 /nfs/dbraw/zinc/93/85/50/618938550.db2.gz GLUHPJLTJOSXIR-ZDUSSCGKSA-N 2 0 255.365 2.813 10 0 CFAERP Cc1ccc(OC[C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000094088065 619077923 /nfs/dbraw/zinc/07/79/23/619077923.db2.gz RHQQFFUATPFSSI-WLYUNCDWSA-N 2 0 262.397 2.622 10 0 CFAERP C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250941683 619173253 /nfs/dbraw/zinc/17/32/53/619173253.db2.gz ZMWRMSXYYXKLEU-VEDBGLOESA-N 2 0 278.440 2.551 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCSCc3ccccc3)C[C@H]12 ZINC000261803574 619277051 /nfs/dbraw/zinc/27/70/51/619277051.db2.gz HCKLWLOJSSCDDR-HRCADAONSA-N 2 0 276.449 2.589 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000250639537 625136050 /nfs/dbraw/zinc/13/60/50/625136050.db2.gz VSNRIHKVDALSQM-DUVNUKRYSA-N 2 0 262.397 2.863 10 0 CFAERP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(C)(C)C)C2)ccn1 ZINC000886071971 646854835 /nfs/dbraw/zinc/85/48/35/646854835.db2.gz JWAAQOOJMOCMAA-INIZCTEOSA-N 2 0 291.439 2.642 10 0 CFAERP CC(C)[C@@H]1C[NH2+]C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096950611 185139737 /nfs/dbraw/zinc/13/97/37/185139737.db2.gz QWGFDMSULJILOD-IRXDYDNUSA-N 2 0 258.409 2.754 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000086819023 179348275 /nfs/dbraw/zinc/34/82/75/179348275.db2.gz MRUOGSOBQWOMPU-DLBZAZTESA-N 2 0 258.409 2.618 10 0 CFAERP CC[N@@H+]1CCC[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000086836022 179349521 /nfs/dbraw/zinc/34/95/21/179349521.db2.gz UTNPQZNZRIABQB-MSOLQXFVSA-N 2 0 289.467 2.753 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000086817237 179344406 /nfs/dbraw/zinc/34/44/06/179344406.db2.gz FTSOEPVIMSIQDA-HNNXBMFYSA-N 2 0 271.408 2.784 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000086817363 179345419 /nfs/dbraw/zinc/34/54/19/179345419.db2.gz WTWYXYUHDFXHRW-ZDUSSCGKSA-N 2 0 284.350 2.862 10 0 CFAERP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817894 179345761 /nfs/dbraw/zinc/34/57/61/179345761.db2.gz XWNIXOZQLYUGBC-OLZOCXBDSA-N 2 0 252.427 2.753 10 0 CFAERP C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817893 179346099 /nfs/dbraw/zinc/34/60/99/179346099.db2.gz XWNIXOZQLYUGBC-STQMWFEESA-N 2 0 252.427 2.753 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]CCSc2ccccc2)CC1 ZINC000086818807 179347195 /nfs/dbraw/zinc/34/71/95/179347195.db2.gz APAXSGWDALWIOL-AWEZNQCLSA-N 2 0 264.438 2.853 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCc3ccccc32)CC1 ZINC000086846385 179355778 /nfs/dbraw/zinc/35/57/78/179355778.db2.gz DTXKEINUHYZRHT-GOSISDBHSA-N 2 0 287.451 2.641 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)CCC(C)C)CC1 ZINC000086847660 179356299 /nfs/dbraw/zinc/35/62/99/179356299.db2.gz AHFONRQJVZUBAA-MRXNPFEDSA-N 2 0 269.477 2.558 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000086848738 179356499 /nfs/dbraw/zinc/35/64/99/179356499.db2.gz OWMWFSSSMGRWCZ-QGZVFWFLSA-N 2 0 281.488 2.702 10 0 CFAERP CC(C)CN(C1CC1)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086848075 179357085 /nfs/dbraw/zinc/35/70/85/179357085.db2.gz YHLRUJLOFDEXNT-KRWDZBQOSA-N 2 0 281.488 2.699 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCC(F)(F)F)CC1 ZINC000086844747 179354305 /nfs/dbraw/zinc/35/43/05/179354305.db2.gz HZLZURNYOPURPB-LLVKDONJSA-N 2 0 252.324 2.791 10 0 CFAERP COC[C@H]([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC000086845955 179355620 /nfs/dbraw/zinc/35/56/20/179355620.db2.gz UQWGCLFTGCPKLJ-CABCVRRESA-N 2 0 256.434 2.510 10 0 CFAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1csc2ccccc12 ZINC000087912794 179521110 /nfs/dbraw/zinc/52/11/10/179521110.db2.gz HASTZXPZTGZCEJ-OAHLLOKOSA-N 2 0 291.464 2.833 10 0 CFAERP CN(CCC[NH+](C)C)CC[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000104203293 185930111 /nfs/dbraw/zinc/93/01/11/185930111.db2.gz NDKSCZIKVRXXKG-OAHLLOKOSA-N 2 0 283.847 2.613 10 0 CFAERP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089144283 179722617 /nfs/dbraw/zinc/72/26/17/179722617.db2.gz DMHRCZZNKGDVKO-UNEWFSDZSA-N 2 0 276.424 2.820 10 0 CFAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000105915594 186089072 /nfs/dbraw/zinc/08/90/72/186089072.db2.gz XHLUQGUNPAYUFH-INIZCTEOSA-N 2 0 290.451 2.520 10 0 CFAERP C[C@H]([NH2+]CC1C2CC3CC(C2)CC1C3)[C@H]1CC[NH2+]C1 ZINC000422985585 299286528 /nfs/dbraw/zinc/28/65/28/299286528.db2.gz FKAWAFVQCDJRCG-IIKUJPTLSA-N 2 0 262.441 2.646 10 0 CFAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000219318794 540731297 /nfs/dbraw/zinc/73/12/97/540731297.db2.gz YMWHKTQHYHBHSB-PMPSAXMXSA-N 2 0 270.461 2.615 10 0 CFAERP C[C@@H]([NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)C1C[NH2+]C1 ZINC000422981131 296158440 /nfs/dbraw/zinc/15/84/40/296158440.db2.gz NIQYCANPEGDONU-INOYMQOOSA-N 2 0 262.441 2.789 10 0 CFAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccco3)C2)[nH+]1 ZINC000092813297 375159651 /nfs/dbraw/zinc/15/96/51/375159651.db2.gz HHKWMRXFFQZTJG-AWEZNQCLSA-N 2 0 271.364 2.917 10 0 CFAERP CC(C)[NH2+]Cc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000095386480 375427405 /nfs/dbraw/zinc/42/74/05/375427405.db2.gz CIMQYCGTPPQMJR-UHFFFAOYSA-N 2 0 276.428 2.529 10 0 CFAERP OCC[C@H]([NH2+]C1CC1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000100282885 375618275 /nfs/dbraw/zinc/61/82/75/375618275.db2.gz YSMUWALXYCLLEY-ROUUACIJSA-N 2 0 288.435 2.544 10 0 CFAERP C[C@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000104417444 375782985 /nfs/dbraw/zinc/78/29/85/375782985.db2.gz XTYNSFHEMGWCHD-QWHCGFSZSA-N 2 0 255.365 2.798 10 0 CFAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261508138 190039964 /nfs/dbraw/zinc/03/99/64/190039964.db2.gz PYTOABHAZVOTRP-WCQYABFASA-N 2 0 272.314 2.527 10 0 CFAERP CC(C)[C@@H]([NH3+])CCN(C)c1cc(C(F)(F)F)ccn1 ZINC000133583809 377941822 /nfs/dbraw/zinc/94/18/22/377941822.db2.gz HXBCMHDSFMPBJZ-NSHDSACASA-N 2 0 275.318 2.910 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000400398997 380858489 /nfs/dbraw/zinc/85/84/89/380858489.db2.gz PZDASDNAVAJOTN-DMDPSCGWSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@H](CCN[C@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379638721 382507769 /nfs/dbraw/zinc/50/77/69/382507769.db2.gz ALDYBHYSMBKHOZ-AEFFLSMTSA-N 2 0 289.467 2.629 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(F)cc1Br ZINC000575439513 382771458 /nfs/dbraw/zinc/77/14/58/382771458.db2.gz CKEBGVCZAZGGBY-NSHDSACASA-N 2 0 275.165 2.717 10 0 CFAERP COc1ccc(Br)cc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440502 382771737 /nfs/dbraw/zinc/77/17/37/382771737.db2.gz ZVSZCIGBUHZLRH-NSHDSACASA-N 2 0 287.201 2.587 10 0 CFAERP [NH3+]CCCCCCCCCCCC[NH2+]CCC[NH3+] ZINC000216251557 382782728 /nfs/dbraw/zinc/78/27/28/382782728.db2.gz RLLAIVNTSIMAIE-UHFFFAOYSA-N 3 0 257.466 2.785 10 0 CFAERP CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249305467 383338806 /nfs/dbraw/zinc/33/88/06/383338806.db2.gz CWIDHPROISBXHH-DLBZAZTESA-N 2 0 282.472 2.591 10 0 CFAERP C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568987635 383456427 /nfs/dbraw/zinc/45/64/27/383456427.db2.gz GTESFOFJCAVOOZ-HOTGVXAUSA-N 3 0 281.488 2.619 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000261726109 383548685 /nfs/dbraw/zinc/54/86/85/383548685.db2.gz KURILYZDTFCRBI-KWCYVHTRSA-N 2 0 284.325 2.875 10 0 CFAERP Brc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000261543343 383509094 /nfs/dbraw/zinc/50/90/94/383509094.db2.gz CXEPKUWINAHHQU-AWEZNQCLSA-N 2 0 297.240 2.723 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@@H](C)[C@@H]2C[NH3+])c1Cl ZINC000261554848 383510552 /nfs/dbraw/zinc/51/05/52/383510552.db2.gz PEENBAKRVVLYML-SKDRFNHKSA-N 2 0 253.777 2.607 10 0 CFAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000261558884 383511205 /nfs/dbraw/zinc/51/12/05/383511205.db2.gz SVUXSUCBVSGIQW-UBHSHLNASA-N 2 0 250.411 2.534 10 0 CFAERP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261579404 383518175 /nfs/dbraw/zinc/51/81/75/383518175.db2.gz DUPUPBJMRPMZRX-BHYGNILZSA-N 2 0 258.409 2.781 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]12 ZINC000261626789 383532405 /nfs/dbraw/zinc/53/24/05/383532405.db2.gz HEPGMECZZOOKPN-CWRNSKLLSA-N 2 0 283.375 2.511 10 0 CFAERP CC(C)n1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261654024 383538183 /nfs/dbraw/zinc/53/81/83/383538183.db2.gz HOYSQQJGCUCLNZ-MSOLQXFVSA-N 2 0 298.434 2.638 10 0 CFAERP CN(C[C@H]1CCC[NH2+]C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000261966920 383589096 /nfs/dbraw/zinc/58/90/96/383589096.db2.gz PYJZQRHXDBTIMN-INIZCTEOSA-N 2 0 281.488 2.572 10 0 CFAERP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261986730 383591496 /nfs/dbraw/zinc/59/14/96/383591496.db2.gz RYHGZALTICIBRI-NOLJZWGESA-N 2 0 262.372 2.557 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)C[C@H]12 ZINC000262031024 383597614 /nfs/dbraw/zinc/59/76/14/383597614.db2.gz XEYHEJZCSATHQB-RYQLBKOJSA-N 2 0 286.419 2.645 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(-c4cccs4)on3)C[C@H]12 ZINC000261756421 383554092 /nfs/dbraw/zinc/55/40/92/383554092.db2.gz NIMHPIIOZJTPGB-KGYLQXTDSA-N 2 0 289.404 2.572 10 0 CFAERP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261823073 383565809 /nfs/dbraw/zinc/56/58/09/383565809.db2.gz IMVQFGJUGJGYDQ-MELADBBJSA-N 2 0 287.432 2.774 10 0 CFAERP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000262668161 383634309 /nfs/dbraw/zinc/63/43/09/383634309.db2.gz LQOJZJRERYHFAX-NVXWUHKLSA-N 2 0 297.487 2.521 10 0 CFAERP CCOCc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000573305623 383907828 /nfs/dbraw/zinc/90/78/28/383907828.db2.gz FFPUXHUSOPFWOH-CABCVRRESA-N 2 0 276.424 2.701 10 0 CFAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CC(F)(F)F ZINC000643495101 384660700 /nfs/dbraw/zinc/66/07/00/384660700.db2.gz JGMJHVNYULQNAL-DCAQKATOSA-N 2 0 252.324 2.553 10 0 CFAERP C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000400685307 393601194 /nfs/dbraw/zinc/60/11/94/393601194.db2.gz XXCSKWSWZYQURK-WNYYMSAVSA-N 2 0 264.335 2.838 10 0 CFAERP CCN1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129297748 394086231 /nfs/dbraw/zinc/08/62/31/394086231.db2.gz JDKYJTAVACJKEU-GOEBONIOSA-N 2 0 262.372 2.887 10 0 CFAERP C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000400685310 287011327 /nfs/dbraw/zinc/01/13/27/287011327.db2.gz XXCSKWSWZYQURK-YYJSSNLHSA-N 2 0 264.335 2.838 10 0 CFAERP CCCCCC[C@@](C)(C[NH3+])N1CC[NH+](CCC)CC1 ZINC000020362601 171161938 /nfs/dbraw/zinc/16/19/38/171161938.db2.gz MIYJLSITQVBKRH-INIZCTEOSA-N 2 0 269.477 2.702 10 0 CFAERP CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365678 171164285 /nfs/dbraw/zinc/16/42/85/171164285.db2.gz WARDVKJRGQMQQW-LSDHHAIUSA-N 2 0 299.503 2.780 10 0 CFAERP COC(C)(C)C[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000020524764 171237624 /nfs/dbraw/zinc/23/76/24/171237624.db2.gz OYDRKTKLOMHGPU-LSDHHAIUSA-N 2 0 270.461 2.900 10 0 CFAERP [NH3+]Cc1ccc(NC(=O)CCC[NH+]2CCCCCC2)cc1 ZINC000022155204 171361790 /nfs/dbraw/zinc/36/17/90/171361790.db2.gz XTUOLIKQYLVSBP-UHFFFAOYSA-N 2 0 289.423 2.740 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037210007 173032166 /nfs/dbraw/zinc/03/21/66/173032166.db2.gz KEXWCUKQUWBRQY-OCCSQVGLSA-N 2 0 250.361 2.646 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]Cc2cccnc2)CC1 ZINC000037221171 173040317 /nfs/dbraw/zinc/04/03/17/173040317.db2.gz CKSYYOSRARKKNP-CQSZACIVSA-N 2 0 261.413 2.682 10 0 CFAERP Cc1c[nH+]ccc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656608179 414615872 /nfs/dbraw/zinc/61/58/72/414615872.db2.gz DCUVKNIENWHZLK-HNNXBMFYSA-N 2 0 259.397 2.606 10 0 CFAERP C[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)C[NH+]1CCCCC1 ZINC000038041635 174043377 /nfs/dbraw/zinc/04/33/77/174043377.db2.gz BFBCSUXOOXAKGY-AWEZNQCLSA-N 2 0 290.407 2.627 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2nc(C)cs2)CC1 ZINC000038090937 174105012 /nfs/dbraw/zinc/10/50/12/174105012.db2.gz VWAJHNCZXDJODD-GFCCVEGCSA-N 2 0 267.442 2.662 10 0 CFAERP CC[NH+](CC)CCn1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000040405765 174254136 /nfs/dbraw/zinc/25/41/36/174254136.db2.gz AOAGIODBJABHHZ-UHFFFAOYSA-N 2 0 294.830 2.533 10 0 CFAERP CC[NH+](CC)CCn1c(C[NH2+]C)nc2ccc(Cl)cc21 ZINC000040405721 174254171 /nfs/dbraw/zinc/25/41/71/174254171.db2.gz WQZVNWXVJPMBDP-UHFFFAOYSA-N 2 0 294.830 2.751 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2OC)C1 ZINC000040593437 174347528 /nfs/dbraw/zinc/34/75/28/174347528.db2.gz NXQGEIIGDDKQEG-LSDHHAIUSA-N 2 0 276.424 2.558 10 0 CFAERP CC[C@H](c1ccc(O)cc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749320 174394193 /nfs/dbraw/zinc/39/41/93/174394193.db2.gz WLJBAZCBWJFVRC-NQKGRLOXSA-N 2 0 260.381 2.797 10 0 CFAERP COc1ccc(CC[C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749448 174394573 /nfs/dbraw/zinc/39/45/73/174394573.db2.gz AHPDSBXYXXXSLG-HZTRTUMWSA-N 2 0 288.435 2.970 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NCC[NH+]2CCCCCC2)C1 ZINC000040767720 174397971 /nfs/dbraw/zinc/39/79/71/174397971.db2.gz HHHLIZGMQODZBE-IAGOWNOFSA-N 2 0 281.488 2.572 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC000042815035 174885539 /nfs/dbraw/zinc/88/55/39/174885539.db2.gz STYBXMINXDKILR-GDBMZVCRSA-N 2 0 268.445 2.656 10 0 CFAERP CC(C)[NH+]1CCN([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000043051557 174959982 /nfs/dbraw/zinc/95/99/82/174959982.db2.gz JQCMWDRCIGZNHV-CJNGLKHVSA-N 2 0 295.858 2.754 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1cccs1)N(C)C1CC[NH+](C)CC1 ZINC000043102554 174967945 /nfs/dbraw/zinc/96/79/45/174967945.db2.gz JTMLSSDDNZTOOR-DZGCQCFKSA-N 2 0 281.469 2.553 10 0 CFAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C)s1 ZINC000043243327 174990822 /nfs/dbraw/zinc/99/08/22/174990822.db2.gz LSSBMPJUYGFYND-ZBFHGGJFSA-N 2 0 297.512 2.964 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043315039 175004358 /nfs/dbraw/zinc/00/43/58/175004358.db2.gz JQJFXLWISLPQOW-GOSISDBHSA-N 2 0 289.467 2.719 10 0 CFAERP Cc1cccc([C@@H](CN)[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000043314983 175004452 /nfs/dbraw/zinc/00/44/52/175004452.db2.gz LVHJBMIOVXXSKJ-GOSISDBHSA-N 2 0 289.467 2.577 10 0 CFAERP Cc1cc(C)cc([C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C)c1 ZINC000043394532 175035279 /nfs/dbraw/zinc/03/52/79/175035279.db2.gz IEAULNTZUBFWBV-SFHVURJKSA-N 2 0 291.483 2.823 10 0 CFAERP COc1ccccc1C[N@H+](CCC[NH3+])C1CCCC1 ZINC000043457202 175049861 /nfs/dbraw/zinc/04/98/61/175049861.db2.gz MHGSZBSYWLXTRR-UHFFFAOYSA-N 2 0 262.397 2.789 10 0 CFAERP CCCC[C@@H](CC)C[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000043454512 175050148 /nfs/dbraw/zinc/05/01/48/175050148.db2.gz RIOKDWCNGAFQBZ-MRXNPFEDSA-N 2 0 269.477 2.559 10 0 CFAERP CC[NH2+][C@@H]1CC(C)(C)Oc2cc(OCC[NH+](C)C)ccc21 ZINC000043460376 175050917 /nfs/dbraw/zinc/05/09/17/175050917.db2.gz MGLPCHNWTOHPGC-OAHLLOKOSA-N 2 0 292.423 2.839 10 0 CFAERP CC(C)[NH+]1CCN([C@H](C[NH3+])C[C@@H](C)c2ccccc2)CC1 ZINC000043534815 175062932 /nfs/dbraw/zinc/06/29/32/175062932.db2.gz BLDSKRYGWFILER-AEFFLSMTSA-N 2 0 289.467 2.534 10 0 CFAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])C[C@@H](C)c2ccccc2)CC1 ZINC000043534816 175063051 /nfs/dbraw/zinc/06/30/51/175063051.db2.gz BLDSKRYGWFILER-SJLPKXTDSA-N 2 0 289.467 2.534 10 0 CFAERP c1cc2c(s1)CC[N@@H+](CCC[C@@H]1CCC[NH2+]C1)C2 ZINC000043591719 175074092 /nfs/dbraw/zinc/07/40/92/175074092.db2.gz YVTDDOOBJBAPEC-ZDUSSCGKSA-N 2 0 264.438 2.886 10 0 CFAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2c(C)cc(C)cc2C)CC1 ZINC000043805826 175107810 /nfs/dbraw/zinc/10/78/10/175107810.db2.gz OTLFTUOTPWPGLK-QGZVFWFLSA-N 2 0 289.467 2.510 10 0 CFAERP CCC[NH+]1CCN([C@@H]2CCCCCC[C@@H]2[NH2+]CC)CC1 ZINC000043805499 175107824 /nfs/dbraw/zinc/10/78/24/175107824.db2.gz SBNUOHQXOZFCEN-DLBZAZTESA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806196 175108034 /nfs/dbraw/zinc/10/80/34/175108034.db2.gz BIXOYYJJRAASIB-IRXDYDNUSA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@H](CC)N1CC[NH+](CC)CC1 ZINC000043806238 175108588 /nfs/dbraw/zinc/10/85/88/175108588.db2.gz GFEFLCMVKAZMAP-CVEARBPZSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[NH+]1CCCCCC1)OCCO2 ZINC000043812306 175110635 /nfs/dbraw/zinc/11/06/35/175110635.db2.gz WRCTZFUIMRJMOP-JKSUJKDBSA-N 2 0 296.455 2.526 10 0 CFAERP CCC[NH2+][C@@H](C)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817817 175113316 /nfs/dbraw/zinc/11/33/16/175113316.db2.gz KPSAMFWNJDGRTE-FUHWJXTLSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)CC(C)C)OCCO2 ZINC000043888376 175117545 /nfs/dbraw/zinc/11/75/45/175117545.db2.gz CLOHWVKSNVUOJZ-CVEARBPZSA-N 2 0 298.471 2.628 10 0 CFAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043896961 175119777 /nfs/dbraw/zinc/11/97/77/175119777.db2.gz FYHGPHMLAJVNJG-FUHWJXTLSA-N 2 0 289.467 2.670 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897075 175120013 /nfs/dbraw/zinc/12/00/13/175120013.db2.gz OSPIMYQUWUURBX-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043897205 175120127 /nfs/dbraw/zinc/12/01/27/175120127.db2.gz RHKJGWKVVLKWEZ-SJORKVTESA-N 2 0 283.504 2.959 10 0 CFAERP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)C2CCOCC2)c1 ZINC000043898313 175120973 /nfs/dbraw/zinc/12/09/73/175120973.db2.gz NAAPRDAITWSOCV-ZDUSSCGKSA-N 2 0 292.423 2.586 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965714 175127054 /nfs/dbraw/zinc/12/70/54/175127054.db2.gz ZXOIDKOYNOQZJX-HOTGVXAUSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967988 175128824 /nfs/dbraw/zinc/12/88/24/175128824.db2.gz QSNFJKFPLFVQQA-NJAFHUGGSA-N 2 0 293.499 2.571 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970514 175130903 /nfs/dbraw/zinc/13/09/03/175130903.db2.gz HANBAUOKUBUUNO-HZPDHXFCSA-N 2 0 270.461 2.902 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970685 175131782 /nfs/dbraw/zinc/13/17/82/175131782.db2.gz BUICHAXRRIEMBM-IRXDYDNUSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970775 175131987 /nfs/dbraw/zinc/13/19/87/175131987.db2.gz HYDQDFWHAKGTNM-QZTJIDSGSA-N 2 0 295.515 2.961 10 0 CFAERP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977725 175133219 /nfs/dbraw/zinc/13/32/19/175133219.db2.gz OYNYBYIIZVYJJK-NUEKZKHPSA-N 2 0 268.445 2.654 10 0 CFAERP CC[NH+]1CCC(N(C)C[C@@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000043977989 175133229 /nfs/dbraw/zinc/13/32/29/175133229.db2.gz VLNJAJCPDZMCAJ-GOSISDBHSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000043978343 175133289 /nfs/dbraw/zinc/13/32/89/175133289.db2.gz GWIFNDZWANLWQK-IAGOWNOFSA-N 2 0 283.504 2.959 10 0 CFAERP C[NH2+][C@H]1CCCCCC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982018 175134017 /nfs/dbraw/zinc/13/40/17/175134017.db2.gz YKWNURKEYMRDIN-IRXDYDNUSA-N 2 0 283.504 2.817 10 0 CFAERP C[NH+](C)CC1CC[NH+]([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2O)CC1 ZINC000044169920 175148595 /nfs/dbraw/zinc/14/85/95/175148595.db2.gz AEYFJPCHIZZVEG-ZACQAIPSSA-N 2 0 296.499 2.836 10 0 CFAERP CCC[NH+]1CCN([C@@H](C)[C@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000044471600 175177998 /nfs/dbraw/zinc/17/79/98/175177998.db2.gz YPBRVYLXTQZGNS-WMZOPIPTSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[NH+]1CCN([C@H](C)[C@@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000044471610 175178032 /nfs/dbraw/zinc/17/80/32/175178032.db2.gz YPBRVYLXTQZGNS-SJLPKXTDSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(O)c(OC)c2)CC1 ZINC000044517473 175190422 /nfs/dbraw/zinc/19/04/22/175190422.db2.gz CWGHHAUFEUNXNP-ZDUSSCGKSA-N 2 0 292.423 2.783 10 0 CFAERP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000044533193 175197427 /nfs/dbraw/zinc/19/74/27/175197427.db2.gz LGOLUYWNSPERKG-INIZCTEOSA-N 2 0 287.451 2.718 10 0 CFAERP Nc1[nH+]c2cccc(Cl)c2n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726527 175238505 /nfs/dbraw/zinc/23/85/05/175238505.db2.gz RJQBDZDRMCUWDJ-SNVBAGLBSA-N 2 0 276.771 2.681 10 0 CFAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747568 175243119 /nfs/dbraw/zinc/24/31/19/175243119.db2.gz ZCUYKNZDTHHESG-BLLLJJGKSA-N 2 0 262.397 2.699 10 0 CFAERP CN(CC(C)(C)C)[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000045070745 175301297 /nfs/dbraw/zinc/30/12/97/175301297.db2.gz IJYFIJLTGZKCAE-SFHVURJKSA-N 2 0 289.467 2.568 10 0 CFAERP CCCC[N@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045370551 175364095 /nfs/dbraw/zinc/36/40/95/175364095.db2.gz HUWDCQARIAPFKC-MRXNPFEDSA-N 2 0 285.476 2.521 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379626 175368196 /nfs/dbraw/zinc/36/81/96/175368196.db2.gz DCVVOKJZZSMWIK-ZOBUZTSGSA-N 2 0 297.487 2.663 10 0 CFAERP CCCC[NH+](CCCC)CCCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045380586 175369470 /nfs/dbraw/zinc/36/94/70/175369470.db2.gz GYPUAKLTLNVLDP-QGZVFWFLSA-N 2 0 299.503 2.912 10 0 CFAERP CCC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OCC)C(C)C ZINC000045385817 175371883 /nfs/dbraw/zinc/37/18/83/175371883.db2.gz IVTFHGCZKAOLDZ-OAHLLOKOSA-N 2 0 272.433 2.558 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385339 175372038 /nfs/dbraw/zinc/37/20/38/175372038.db2.gz WOZOHHROHHQABZ-GOEBONIOSA-N 2 0 285.476 2.521 10 0 CFAERP CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CCCC1 ZINC000045390518 175375112 /nfs/dbraw/zinc/37/51/12/175375112.db2.gz LSVZKIZHOAGJAG-QGZVFWFLSA-N 2 0 297.487 2.663 10 0 CFAERP COc1ccc(C)cc1[C@@H](CC[NH3+])C[NH+]1CCCC1 ZINC000076676219 177056267 /nfs/dbraw/zinc/05/62/67/177056267.db2.gz YVYNLJWZTTXHDX-AWEZNQCLSA-N 2 0 262.397 2.532 10 0 CFAERP CC1(C)CC[N@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@@H]21 ZINC000076697698 177060979 /nfs/dbraw/zinc/06/09/79/177060979.db2.gz WEOUOCZEZPJAKT-JKSUJKDBSA-N 2 0 258.409 2.897 10 0 CFAERP COc1c(C)cc(Cl)cc1[C@@H](CC[NH3+])C[NH+](C)C ZINC000076710787 177067849 /nfs/dbraw/zinc/06/78/49/177067849.db2.gz FYZHFJIGIWNHCJ-NSHDSACASA-N 2 0 270.804 2.651 10 0 CFAERP CCC[C@H](CC[NH3+])CCC[NH2+]CCc1cscn1 ZINC000079245136 177455355 /nfs/dbraw/zinc/45/53/55/177455355.db2.gz MKCQGOXTBSIKLP-ZDUSSCGKSA-N 2 0 269.458 2.821 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400923552 420503617 /nfs/dbraw/zinc/50/36/17/420503617.db2.gz GPLHSERIVJJKTO-BZZMCLGOSA-N 2 0 288.435 2.569 10 0 CFAERP c1ccc(COc2ccc(C[NH2+]C[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000398362514 270322172 /nfs/dbraw/zinc/32/21/72/270322172.db2.gz YFCSWFJOOBOAAM-SFHVURJKSA-N 2 0 296.414 2.965 10 0 CFAERP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151282008 275989840 /nfs/dbraw/zinc/98/98/40/275989840.db2.gz HUNRGEZKFISLNZ-YESZJQIVSA-N 2 0 282.472 2.638 10 0 CFAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000335012980 279258462 /nfs/dbraw/zinc/25/84/62/279258462.db2.gz YFBGVVLEQWNQBL-AEFFLSMTSA-N 2 0 293.499 2.667 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)[C@@H]1CC[NH2+]C1 ZINC000400384085 279518027 /nfs/dbraw/zinc/51/80/27/279518027.db2.gz XTEKYFPNARLMGH-MISXGVKJSA-N 2 0 280.412 2.950 10 0 CFAERP C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)[C@H]1CC[NH2+]C1 ZINC000400384088 279546094 /nfs/dbraw/zinc/54/60/94/279546094.db2.gz XTEKYFPNARLMGH-MJVIPROJSA-N 2 0 280.412 2.950 10 0 CFAERP CC(C)[NH2+][C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096091981 279627304 /nfs/dbraw/zinc/62/73/04/279627304.db2.gz XJRIETLZUCONLB-HNNXBMFYSA-N 2 0 262.372 2.890 10 0 CFAERP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000261612404 280385638 /nfs/dbraw/zinc/38/56/38/280385638.db2.gz SPNHRUBWWPWLQC-BHYGNILZSA-N 2 0 258.409 2.781 10 0 CFAERP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000312646865 290016468 /nfs/dbraw/zinc/01/64/68/290016468.db2.gz FAQYRDIHJYOESZ-BHYGNILZSA-N 2 0 274.408 2.645 10 0 CFAERP C[C@H]([NH2+]CCSc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089554 290346983 /nfs/dbraw/zinc/34/69/83/290346983.db2.gz OIPCLWDMJPSJDQ-UONOGXRCSA-N 2 0 264.438 2.756 10 0 CFAERP F[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000334494377 294731498 /nfs/dbraw/zinc/73/14/98/294731498.db2.gz DMAFSIROIZWPCT-GXTWGEPZSA-N 2 0 254.393 2.874 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000227084412 303407126 /nfs/dbraw/zinc/40/71/26/303407126.db2.gz QQCVSWTZPDQKKY-QCNOEVLYSA-N 2 0 264.335 2.825 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000582295401 325193180 /nfs/dbraw/zinc/19/31/80/325193180.db2.gz HFXXHTGOXWWLMF-FPMFFAJLSA-N 2 0 266.454 2.965 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000052180809 519742689 /nfs/dbraw/zinc/74/26/89/519742689.db2.gz VAGZCRPPCHKPMO-INIZCTEOSA-N 2 0 282.472 2.761 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)OCC[C@@H]1CCC[N@@H+]1C ZINC000052673556 519743758 /nfs/dbraw/zinc/74/37/58/519743758.db2.gz DLFSPCSFAOZIAJ-CVEARBPZSA-N 2 0 270.461 2.902 10 0 CFAERP CCCC1CC[NH+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000050905794 519900632 /nfs/dbraw/zinc/90/06/32/519900632.db2.gz YLYGJWFTKPUYIB-QGZVFWFLSA-N 2 0 297.487 2.521 10 0 CFAERP CCC[NH2+]CCCCC[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000052571144 519912028 /nfs/dbraw/zinc/91/20/28/519912028.db2.gz PWMIJQQSDOKZGU-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC(C)C)C(C)C)CCOCC1 ZINC000052197780 519913203 /nfs/dbraw/zinc/91/32/03/519913203.db2.gz BRCBCMIIFGVTRO-UHFFFAOYSA-N 2 0 270.461 2.759 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425074 519926158 /nfs/dbraw/zinc/92/61/58/519926158.db2.gz PKTUGIIYUXDBPR-JKSUJKDBSA-N 2 0 268.445 2.800 10 0 CFAERP CCO[C@@H]1CCC[N@H+](CCCC[NH2+]CC(C)C)C1 ZINC000052372075 520320518 /nfs/dbraw/zinc/32/05/18/520320518.db2.gz OAFCSLJEGKONOV-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP CCCN(CC[NH+](C)C)C[C@H]([NH3+])c1cc(C)ccc1C ZINC000045687670 521656293 /nfs/dbraw/zinc/65/62/93/521656293.db2.gz MFEGCMQPQJFDBV-KRWDZBQOSA-N 2 0 277.456 2.577 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183514 521969045 /nfs/dbraw/zinc/96/90/45/521969045.db2.gz TUXPRPCFXKXYEG-GJZGRUSLSA-N 2 0 268.445 2.513 10 0 CFAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)oc1C ZINC000052373280 522108212 /nfs/dbraw/zinc/10/82/12/522108212.db2.gz HVGOEJACVNSMMS-RYUDHWBXSA-N 2 0 250.386 2.928 10 0 CFAERP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2N[C@@H](C)C[NH+]1CCCC1 ZINC000049167710 519697799 /nfs/dbraw/zinc/69/77/99/519697799.db2.gz PDWRZTJFNXBFKA-XNHLSEOASA-N 2 0 293.499 2.569 10 0 CFAERP CC(C)[NH2+]CCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000052417341 519720472 /nfs/dbraw/zinc/72/04/72/519720472.db2.gz ADGFJAFEKCZXMC-UHFFFAOYSA-N 2 0 289.467 2.977 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000052541020 519743527 /nfs/dbraw/zinc/74/35/27/519743527.db2.gz NKSRZCXSRAXBGK-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503374 519743726 /nfs/dbraw/zinc/74/37/26/519743726.db2.gz DIWBTIGKUUTOMK-KRWDZBQOSA-N 2 0 285.520 2.920 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCCC2)O1 ZINC000052444996 519745947 /nfs/dbraw/zinc/74/59/47/519745947.db2.gz GHBWGTONNBGERF-CVEARBPZSA-N 2 0 268.445 2.654 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420866 519746436 /nfs/dbraw/zinc/74/64/36/519746436.db2.gz LHRIVWZZCRSUTC-TWMKSMIVSA-N 2 0 282.472 2.758 10 0 CFAERP CCCC1CCC([NH2+]C[C@@H](O)C[NH+](CC)CC)CC1 ZINC000049545243 519898629 /nfs/dbraw/zinc/89/86/29/519898629.db2.gz HMTHAIPGMPHLJT-UYSNPLJNSA-N 2 0 270.461 2.638 10 0 CFAERP CCCC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052374090 519902052 /nfs/dbraw/zinc/90/20/52/519902052.db2.gz ALZWXHWXFJGGHJ-DLBZAZTESA-N 2 0 280.456 2.798 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)Cc2cccc(C)c2)CCOCC1 ZINC000052198206 519911721 /nfs/dbraw/zinc/91/17/21/519911721.db2.gz SUVWEUCSTXUQPP-UHFFFAOYSA-N 2 0 290.451 2.833 10 0 CFAERP CC[NH2+]CCCCC[N@@H+]1CCc2sccc2C1 ZINC000052416575 519919390 /nfs/dbraw/zinc/91/93/90/519919390.db2.gz FCRTZZPAUBHMHV-UHFFFAOYSA-N 2 0 252.427 2.886 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H](C)CC)O1 ZINC000052454367 519935925 /nfs/dbraw/zinc/93/59/25/519935925.db2.gz NDKBPCPQYHNBLD-ZNMIVQPWSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424735 519951594 /nfs/dbraw/zinc/95/15/94/519951594.db2.gz HHTCJTQKZLVVEI-IRXDYDNUSA-N 2 0 276.424 2.584 10 0 CFAERP CCC[NH2+]Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000052380253 519955392 /nfs/dbraw/zinc/95/53/92/519955392.db2.gz VUVVKFQHEGKORB-GASCZTMLSA-N 2 0 276.424 2.795 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)C2CCCCC2)O1 ZINC000052420136 519976940 /nfs/dbraw/zinc/97/69/40/519976940.db2.gz RBFOZCFVJWSRFV-CVEARBPZSA-N 2 0 268.445 2.798 10 0 CFAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCSC2)c(C)o1 ZINC000052453619 519988890 /nfs/dbraw/zinc/98/88/90/519988890.db2.gz IFZVYPIVJNUJND-CYBMUJFWSA-N 2 0 268.426 2.635 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C(C)(C)CC)OCCO2 ZINC000069431425 520021031 /nfs/dbraw/zinc/02/10/31/520021031.db2.gz LUZBAUOTWHWHNR-HUUCEWRRSA-N 2 0 298.471 2.771 10 0 CFAERP CCCO[C@@H]1CCC[N@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050953635 520271518 /nfs/dbraw/zinc/27/15/18/520271518.db2.gz BFLXVFZONIQGST-JKSUJKDBSA-N 2 0 268.445 2.800 10 0 CFAERP CCCC[NH+](CCCC)C[C@]1(C[NH2+]C)CCOC1 ZINC000051214612 520495875 /nfs/dbraw/zinc/49/58/75/520495875.db2.gz CKLQHAXOPPSOFD-OAHLLOKOSA-N 2 0 256.434 2.515 10 0 CFAERP CCCC[NH+](CCCC)CCn1cc(C[NH2+]CCC)nn1 ZINC000052443583 520496184 /nfs/dbraw/zinc/49/61/84/520496184.db2.gz XZQMFFNPORXXFR-UHFFFAOYSA-N 2 0 295.475 2.680 10 0 CFAERP CC[NH+](CC)CCO[C@H](C)CCC[NH2+]C(C)(C)C ZINC000052671955 520695922 /nfs/dbraw/zinc/69/59/22/520695922.db2.gz ADVCYHZUZDGYTD-CQSZACIVSA-N 2 0 258.450 2.902 10 0 CFAERP CC[N@H+](CC1CC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000069239835 520958664 /nfs/dbraw/zinc/95/86/64/520958664.db2.gz JFHDILRDHUIRBP-INIZCTEOSA-N 2 0 268.445 2.513 10 0 CFAERP CC[N@H+](C[C@H]1CCCO1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052511183 521269911 /nfs/dbraw/zinc/26/99/11/521269911.db2.gz AWFFFBXPRFYGQK-LSDHHAIUSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[C@]1(C[NH2+]CCC(F)(F)F)CCC[NH2+]C1 ZINC000063101504 521313235 /nfs/dbraw/zinc/31/32/35/521313235.db2.gz ARJVUMPRCIYDJM-NSHDSACASA-N 2 0 252.324 2.698 10 0 CFAERP CCN(Cc1cccs1)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000048970277 521407793 /nfs/dbraw/zinc/40/77/93/521407793.db2.gz QHDLHHQSAPQSCR-UHFFFAOYSA-N 2 0 295.496 2.772 10 0 CFAERP CC[N@H+](Cc1ccncc1)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052515034 521420623 /nfs/dbraw/zinc/42/06/23/521420623.db2.gz IGQWVZXSJCYSQG-AWEZNQCLSA-N 2 0 261.413 2.824 10 0 CFAERP CC[NH+]1CCC(C[NH3+])(N(Cc2ccsc2)C2CC2)CC1 ZINC000048953220 521548832 /nfs/dbraw/zinc/54/88/32/521548832.db2.gz YFYXRZRJULJLPE-UHFFFAOYSA-N 2 0 293.480 2.526 10 0 CFAERP CCC(CC)[N@H+](CCOC)Cc1cc(F)ccc1C[NH3+] ZINC000069401437 521560250 /nfs/dbraw/zinc/56/02/50/521560250.db2.gz ROUXXLGVVSCFEA-UHFFFAOYSA-N 2 0 282.403 2.921 10 0 CFAERP C[NH+](C)Cc1cccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050944094 521927190 /nfs/dbraw/zinc/92/71/90/521927190.db2.gz TYBWYWFDJNMGDT-OAHLLOKOSA-N 2 0 289.423 2.609 10 0 CFAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000052182767 521970251 /nfs/dbraw/zinc/97/02/51/521970251.db2.gz FJFNFTDWDKTOQS-INIZCTEOSA-N 2 0 280.456 2.657 10 0 CFAERP C[NH2+]Cc1ccoc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373061 522141566 /nfs/dbraw/zinc/14/15/66/522141566.db2.gz NUZQLBVBFNJRKB-MRXNPFEDSA-N 2 0 270.376 2.989 10 0 CFAERP C[NH2+]Cc1oc2ccccc2c1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380395 522161760 /nfs/dbraw/zinc/16/17/60/522161760.db2.gz ZQZCNVNCQSMZJF-STQMWFEESA-N 2 0 288.391 2.761 10 0 CFAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C)cc1C ZINC000234750217 522288729 /nfs/dbraw/zinc/28/87/29/522288729.db2.gz CIURXFMMFNGOER-HUUCEWRRSA-N 2 0 264.413 2.708 10 0 CFAERP C[NH2+][C@H](C)CCCC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045603202 522439384 /nfs/dbraw/zinc/43/93/84/522439384.db2.gz GKIUGPNMIUJQQF-KGLIPLIRSA-N 2 0 256.434 2.512 10 0 CFAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000049254433 522498337 /nfs/dbraw/zinc/49/83/37/522498337.db2.gz KPGDUBZVPKDYLD-HNNXBMFYSA-N 2 0 269.477 2.558 10 0 CFAERP C[N@H+](CC1CC1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182156 522626941 /nfs/dbraw/zinc/62/69/41/522626941.db2.gz PIIVIHVMBOWEGF-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP COC1CC[NH+]([C@@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052455362 522706416 /nfs/dbraw/zinc/70/64/16/522706416.db2.gz HZGITPYVVOLDSH-AWEZNQCLSA-N 2 0 256.434 2.512 10 0 CFAERP CC[C@@H]1CCC[N@@H+]1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180423 523267960 /nfs/dbraw/zinc/26/79/60/523267960.db2.gz BKBQZKZKXOVMTH-MRXNPFEDSA-N 2 0 282.472 2.903 10 0 CFAERP CCn1cc[nH+]c1N(CCC[NH3+])c1ccc(C)cc1 ZINC000050607871 523548353 /nfs/dbraw/zinc/54/83/53/523548353.db2.gz AWTNGBDSGDQBQL-UHFFFAOYSA-N 2 0 258.369 2.698 10 0 CFAERP C[N@@H+]1CCC[C@H]1CCOc1cccc(Cl)c1C[NH3+] ZINC000052904937 523850808 /nfs/dbraw/zinc/85/08/08/523850808.db2.gz YOMQGVWXRNGJSQ-NSHDSACASA-N 2 0 268.788 2.662 10 0 CFAERP C[NH+]1CCN(CC2(C[NH2+]C(C)(C)C)CCCCC2)CC1 ZINC000051209186 523895401 /nfs/dbraw/zinc/89/54/01/523895401.db2.gz DVQYBVGHHRNALA-UHFFFAOYSA-N 2 0 281.488 2.572 10 0 CFAERP CC[C@H](C)[NH+]1CCN(c2cccc(Cl)c2C[NH3+])CC1 ZINC000055063354 523960936 /nfs/dbraw/zinc/96/09/36/523960936.db2.gz LBQZDVKMLGDLCD-LBPRGKRZSA-N 2 0 281.831 2.719 10 0 CFAERP C[C@H]1CCC[C@](CNCCC[NH+]2CCCC2)([NH+](C)C)C1 ZINC000049332647 524223540 /nfs/dbraw/zinc/22/35/40/524223540.db2.gz MNMHDUBUNPFRFQ-IRXDYDNUSA-N 2 0 281.488 2.572 10 0 CFAERP C[C@@H]1CCC[N@@H+]1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180449 524261826 /nfs/dbraw/zinc/26/18/26/524261826.db2.gz GRNACYBJYVQEPP-CQSZACIVSA-N 2 0 268.445 2.656 10 0 CFAERP C[C@@H](CC[NH+](C)C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000049559254 524473642 /nfs/dbraw/zinc/47/36/42/524473642.db2.gz QGPFEUFEPSERRJ-JSGCOSHPSA-N 2 0 277.437 2.760 10 0 CFAERP Cc1ccc(C[NH2+]CCCC2CC[NH2+]CC2)s1 ZINC000050954287 524575923 /nfs/dbraw/zinc/57/59/23/524575923.db2.gz ZRVFKJQUNUZGRO-UHFFFAOYSA-N 2 0 252.427 2.926 10 0 CFAERP C[C@@H](C[NH+]1CCCC1)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049185005 524596047 /nfs/dbraw/zinc/59/60/47/524596047.db2.gz BWFKUPNHGKOSJF-JTQLQIEISA-N 2 0 278.787 2.929 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CCCC1CC[NH2+]CC1 ZINC000050953482 524746640 /nfs/dbraw/zinc/74/66/40/524746640.db2.gz QBNPLAOSDNREIW-CYBMUJFWSA-N 2 0 250.386 2.580 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CC[C@@H]([NH3+])c1ccccc1 ZINC000049147239 524747508 /nfs/dbraw/zinc/74/75/08/524747508.db2.gz KGHNWBNNPPRBQC-CZUORRHYSA-N 2 0 258.365 2.890 10 0 CFAERP C[C@@H](Cc1ccco1)[NH2+]CC[C@H]([NH3+])c1ccccc1 ZINC000049147236 524928766 /nfs/dbraw/zinc/92/87/66/524928766.db2.gz KGHNWBNNPPRBQC-BBRMVZONSA-N 2 0 258.365 2.890 10 0 CFAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCCc2ccccc2)C1 ZINC000049666796 525095846 /nfs/dbraw/zinc/09/58/46/525095846.db2.gz AASFVYXCNYZCKE-HZPDHXFCSA-N 2 0 260.425 2.797 10 0 CFAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCCc2sccc21 ZINC000061363761 525246543 /nfs/dbraw/zinc/24/65/43/525246543.db2.gz DNBQVSOZIQPMKP-NTZNESFSSA-N 2 0 250.411 2.937 10 0 CFAERP Cc1ccc(OCCC[NH+]2CCCC2)c([C@@H](C)[NH3+])c1 ZINC000049331976 525411818 /nfs/dbraw/zinc/41/18/18/525411818.db2.gz YGEIRVPFJDLQQX-CQSZACIVSA-N 2 0 262.397 2.879 10 0 CFAERP Cc1cc([C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C)ccc1F ZINC000050558557 525537080 /nfs/dbraw/zinc/53/70/80/525537080.db2.gz DRAPCELEOGGPDL-KRWDZBQOSA-N 2 0 295.446 2.654 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000050563679 525641594 /nfs/dbraw/zinc/64/15/94/525641594.db2.gz ACXZESFTOMDWPK-NWDGAFQWSA-N 2 0 250.361 2.905 10 0 CFAERP COc1cccc(C[N@H+](C)[C@@H](C)CC[NH2+]C2CC2)c1 ZINC000052372977 525917267 /nfs/dbraw/zinc/91/72/67/525917267.db2.gz ULGNBOVMVYIGRM-ZDUSSCGKSA-N 2 0 262.397 2.658 10 0 CFAERP NC(=[NH2+])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000050599521 526822132 /nfs/dbraw/zinc/82/21/32/526822132.db2.gz SMTUPOIWRPGETR-QGZVFWFLSA-N 2 0 279.387 2.960 10 0 CFAERP [NH3+]C1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000086317598 527141427 /nfs/dbraw/zinc/14/14/27/527141427.db2.gz PXELSIHWNFIBBV-UHFFFAOYSA-N 2 0 255.365 2.594 10 0 CFAERP [NH3+]Cc1ncccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061656634 527264912 /nfs/dbraw/zinc/26/49/12/527264912.db2.gz BXVBHYJLHHWNHO-UONOGXRCSA-N 2 0 259.397 2.552 10 0 CFAERP Cc1ncc(C[NH2+]CC[C@@H]([NH3+])c2ccccc2)s1 ZINC000049538891 527270174 /nfs/dbraw/zinc/27/01/74/527270174.db2.gz RLJXPSYRISKFBN-CQSZACIVSA-N 2 0 261.394 2.631 10 0 CFAERP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000252950130 617667949 /nfs/dbraw/zinc/66/79/49/617667949.db2.gz CQYYKUHKWIMHEK-GMTAPVOTSA-N 2 0 288.844 2.819 10 0 CFAERP Cc1csc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979767 618280343 /nfs/dbraw/zinc/28/03/43/618280343.db2.gz MJCAQHRMXFDYOT-AWEZNQCLSA-N 2 0 279.453 2.631 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc4ccccc34)C[C@H]12 ZINC000261576900 619172537 /nfs/dbraw/zinc/17/25/37/619172537.db2.gz CJZDMZRBWMBEBS-TUKIKUTGSA-N 2 0 256.349 2.602 10 0 CFAERP CCc1nccn1[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171746645 623241283 /nfs/dbraw/zinc/24/12/83/623241283.db2.gz ZRVNPDXGFWGOMI-CYBMUJFWSA-N 2 0 265.477 2.960 10 0 CFAERP C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250941677 625150287 /nfs/dbraw/zinc/15/02/87/625150287.db2.gz ZMWRMSXYYXKLEU-SLUKUZTOSA-N 2 0 278.440 2.551 10 0 CFAERP CCN(CC)[C@H](C[NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000094074104 650951107 /nfs/dbraw/zinc/95/11/07/650951107.db2.gz DHCOKFRWJCCKOE-DAWZGUTISA-N 2 0 289.467 2.929 10 0 CFAERP CC[NH+](CC)CCc1nc(C(C)C)c(C[NH3+])s1 ZINC000082434514 178011367 /nfs/dbraw/zinc/01/13/67/178011367.db2.gz DOILAXABFYTOTF-UHFFFAOYSA-N 2 0 255.431 2.610 10 0 CFAERP C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccc(Cl)cc21 ZINC000082509372 178076364 /nfs/dbraw/zinc/07/63/64/178076364.db2.gz ZHZXFZBHFKCNST-ZDUSSCGKSA-N 2 0 280.799 2.847 10 0 CFAERP CC(C)(C[NH2+]C1CCC([NH3+])CC1)c1cccs1 ZINC000126131977 187218635 /nfs/dbraw/zinc/21/86/35/187218635.db2.gz FWJWGMDOFANXSO-UHFFFAOYSA-N 2 0 252.427 2.885 10 0 CFAERP Cc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000229099928 136392163 /nfs/dbraw/zinc/39/21/63/136392163.db2.gz CURLJGXSNOBPSX-JSGCOSHPSA-N 2 0 269.392 2.964 10 0 CFAERP CC[N@H+](CCCC[C@@](C)(CO)[NH2+]C(C)C)CC1CC1 ZINC000085212426 178976511 /nfs/dbraw/zinc/97/65/11/178976511.db2.gz NHKQSCRBIVBEDI-INIZCTEOSA-N 2 0 270.461 2.638 10 0 CFAERP C[C@@H]1CCC[C@@](CN[C@@H]2CCC[N@H+](C)CC2)([NH+](C)C)C1 ZINC000086818871 179347937 /nfs/dbraw/zinc/34/79/37/179347937.db2.gz MTSNUDVBJHNNRO-BRWVUGGUSA-N 2 0 281.488 2.571 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000086817310 179344877 /nfs/dbraw/zinc/34/48/77/179344877.db2.gz IHNYUMYBNCCJLN-OAHLLOKOSA-N 2 0 286.423 2.500 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000086817238 179345457 /nfs/dbraw/zinc/34/54/57/179345457.db2.gz FTSOEPVIMSIQDA-OAHLLOKOSA-N 2 0 271.408 2.784 10 0 CFAERP C[NH+](C)CCOc1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818678 179346451 /nfs/dbraw/zinc/34/64/51/179346451.db2.gz CMSLEMFGTPXODN-OAHLLOKOSA-N 2 0 291.439 2.523 10 0 CFAERP C[C@H](Cc1c(F)cccc1F)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818696 179346491 /nfs/dbraw/zinc/34/64/91/179346491.db2.gz ZERAVGKIJQXAQZ-CHWSQXEVSA-N 2 0 282.378 2.970 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccc(C)c2)CC1 ZINC000086847477 179356696 /nfs/dbraw/zinc/35/66/96/179356696.db2.gz GRHNQQBBWGTEKR-SFHVURJKSA-N 2 0 289.467 2.630 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCC(CC)CC2)CC1 ZINC000086847577 179357337 /nfs/dbraw/zinc/35/73/37/179357337.db2.gz KPNRHMOYHIAMCI-QGZVFWFLSA-N 2 0 281.488 2.702 10 0 CFAERP CCC[C@H](COC)[NH2+][C@H]1CCC[N@H+](CCC)CC1 ZINC000086845544 179355647 /nfs/dbraw/zinc/35/56/47/179355647.db2.gz KIICBSLYZTXXMY-LSDHHAIUSA-N 2 0 256.434 2.656 10 0 CFAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000250496504 348288067 /nfs/dbraw/zinc/28/80/67/348288067.db2.gz JLJGPEYPFDWSCN-YOEHRIQHSA-N 2 0 258.409 2.994 10 0 CFAERP CCCC1CCC(C[NH3+])(NCC[NH+](CC)CC)CC1 ZINC000087912637 179521060 /nfs/dbraw/zinc/52/10/60/179521060.db2.gz PLFFTCSEGIMSEL-UHFFFAOYSA-N 2 0 269.477 2.606 10 0 CFAERP C[C@@H](CC[NH2+][C@@H]1CCCC[C@H]1O)[N@H+](C)Cc1ccccc1 ZINC000379653242 348522284 /nfs/dbraw/zinc/52/22/84/348522284.db2.gz ZAMPMEHWPHQHBA-CGTJXYLNSA-N 2 0 290.451 2.790 10 0 CFAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCOC1CCCCC1)C2 ZINC000104441426 186003467 /nfs/dbraw/zinc/00/34/67/186003467.db2.gz KRBIFICAIITCKV-GOOCMWNKSA-N 2 0 266.429 2.551 10 0 CFAERP [NH3+]C1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]CC1 ZINC000090587470 180009695 /nfs/dbraw/zinc/00/96/95/180009695.db2.gz CJYUWWNTMWRTLB-UHFFFAOYSA-N 2 0 266.388 2.977 10 0 CFAERP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000630074850 354997149 /nfs/dbraw/zinc/99/71/49/354997149.db2.gz BKSLMYVWQQXNHP-DGCLKSJQSA-N 2 0 252.789 2.675 10 0 CFAERP C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631837095 355600678 /nfs/dbraw/zinc/60/06/78/355600678.db2.gz MUBWVVQDILZCTJ-PWSUYJOCSA-N 2 0 288.313 2.612 10 0 CFAERP C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837848 355601302 /nfs/dbraw/zinc/60/13/02/355601302.db2.gz GCQXPIVPBNCVAX-MDZLAQPJSA-N 2 0 252.789 2.928 10 0 CFAERP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631839531 355602318 /nfs/dbraw/zinc/60/23/18/355602318.db2.gz HIKIXPAIEJAFCC-HIFRSBDPSA-N 2 0 262.397 2.500 10 0 CFAERP O[C@@H](C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178976702 189159139 /nfs/dbraw/zinc/15/91/39/189159139.db2.gz JENLJUSTXVBCGO-ROUUACIJSA-N 2 0 288.435 2.574 10 0 CFAERP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000136331905 541295831 /nfs/dbraw/zinc/29/58/31/541295831.db2.gz TWNPAXOMUUNABC-INIZCTEOSA-N 2 0 289.423 2.594 10 0 CFAERP Cc1ccsc1C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275553058 193074035 /nfs/dbraw/zinc/07/40/35/193074035.db2.gz NMLAJIRCNXQNER-LBPRGKRZSA-N 2 0 261.394 2.605 10 0 CFAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccco3)C2)[nH+]1 ZINC000092813298 375161145 /nfs/dbraw/zinc/16/11/45/375161145.db2.gz HHKWMRXFFQZTJG-CQSZACIVSA-N 2 0 271.364 2.917 10 0 CFAERP C[NH+](C)CCNc1cc(N2CCCC2)[nH+]c2ccccc12 ZINC000253495232 189993572 /nfs/dbraw/zinc/99/35/72/189993572.db2.gz NQIPPTHQQHTAEW-UHFFFAOYSA-N 2 0 284.407 2.809 10 0 CFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC000106124311 375795459 /nfs/dbraw/zinc/79/54/59/375795459.db2.gz YAMIXTYQCZDONP-OAHLLOKOSA-N 2 0 282.472 2.591 10 0 CFAERP CC[NH+](CC)[C@@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000133531372 377938463 /nfs/dbraw/zinc/93/84/63/377938463.db2.gz OIYVRLCHUMXZBZ-ROUUACIJSA-N 2 0 289.467 2.801 10 0 CFAERP CCc1csc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979823 380498389 /nfs/dbraw/zinc/49/83/89/380498389.db2.gz ULCIKTNJGSRARI-CQSZACIVSA-N 2 0 293.480 2.885 10 0 CFAERP CCC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCOCC1 ZINC000336619288 380560750 /nfs/dbraw/zinc/56/07/50/380560750.db2.gz MCWGDEXCVSIRTF-KRWDZBQOSA-N 2 0 280.456 2.611 10 0 CFAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400437281 380859876 /nfs/dbraw/zinc/85/98/76/380859876.db2.gz NATLLYZOPXOELK-GMXVVIOVSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400442728 380860285 /nfs/dbraw/zinc/86/02/85/380860285.db2.gz MVGQHQINYYFAGC-QWRGUYRKSA-N 2 0 272.314 2.793 10 0 CFAERP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000400493083 380861200 /nfs/dbraw/zinc/86/12/00/380861200.db2.gz ZWNWDJOYUMILCH-ZYHUDNBSSA-N 2 0 272.314 2.793 10 0 CFAERP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343583125 381816695 /nfs/dbraw/zinc/81/66/95/381816695.db2.gz AMLWAEQSIWECRX-QDMKHBRRSA-N 2 0 268.445 2.654 10 0 CFAERP C[C@@H](CC[NH2+]C1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000379657182 382507360 /nfs/dbraw/zinc/50/73/60/382507360.db2.gz RXLVZOBYDFJMHZ-ZLPCBKJTSA-N 3 0 289.467 2.757 10 0 CFAERP C[C@H](CCN[C@@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379638723 382507791 /nfs/dbraw/zinc/50/77/91/382507791.db2.gz ALDYBHYSMBKHOZ-SJLPKXTDSA-N 2 0 289.467 2.629 10 0 CFAERP COc1ccccc1C[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380423519 382514654 /nfs/dbraw/zinc/51/46/54/382514654.db2.gz XXOXPACEDHTSIU-JKIFEVAISA-N 2 0 276.424 2.543 10 0 CFAERP C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358411485 382604079 /nfs/dbraw/zinc/60/40/79/382604079.db2.gz YXMIJELNJQHKRV-UHIISALHSA-N 2 0 252.789 2.941 10 0 CFAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085239148 184606910 /nfs/dbraw/zinc/60/69/10/184606910.db2.gz REIIOFHUYXJNKU-FMKPAKJESA-N 2 0 268.445 2.533 10 0 CFAERP CC(C)[NH2+][C@](C)(CO)CCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000085240493 184607807 /nfs/dbraw/zinc/60/78/07/184607807.db2.gz GIEWIPFJTUJVCK-HOCLYGCPSA-N 2 0 270.461 2.636 10 0 CFAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)ccc(Cl)c1Cl ZINC000575438541 382771005 /nfs/dbraw/zinc/77/10/05/382771005.db2.gz LVNRBOKIENEFOE-MRVPVSSYSA-N 2 0 251.132 2.871 10 0 CFAERP Clc1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000226349304 382827403 /nfs/dbraw/zinc/82/74/03/382827403.db2.gz ANKDPHSDNMFCRX-SNVBAGLBSA-N 2 0 258.818 2.533 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067049 383138849 /nfs/dbraw/zinc/13/88/49/383138849.db2.gz IJLGXYBFSXVCNN-BPQIPLTHSA-N 2 0 288.435 2.808 10 0 CFAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000247253744 383156870 /nfs/dbraw/zinc/15/68/70/383156870.db2.gz UDODRAXTZCNRKL-LSDHHAIUSA-N 2 0 277.412 2.652 10 0 CFAERP C[C@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000520564852 383263075 /nfs/dbraw/zinc/26/30/75/383263075.db2.gz DPYYZIFDWKBJOB-LSDHHAIUSA-N 2 0 268.445 2.704 10 0 CFAERP CCCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998179 383453546 /nfs/dbraw/zinc/45/35/46/383453546.db2.gz BUSMMPHWWXGIJS-HIFRSBDPSA-N 2 0 262.397 2.502 10 0 CFAERP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261574214 383516821 /nfs/dbraw/zinc/51/68/21/383516821.db2.gz MOBSRLPMNQBCKL-AEGPPILISA-N 2 0 264.800 2.818 10 0 CFAERP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261574218 383516843 /nfs/dbraw/zinc/51/68/43/383516843.db2.gz MOBSRLPMNQBCKL-QEJZJMRPSA-N 2 0 264.800 2.818 10 0 CFAERP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261579406 383518996 /nfs/dbraw/zinc/51/89/96/383518996.db2.gz DUPUPBJMRPMZRX-UAGQMJEPSA-N 2 0 258.409 2.781 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]12 ZINC000261587131 383520734 /nfs/dbraw/zinc/52/07/34/383520734.db2.gz JGQBVUVZNKZMQW-AEGPPILISA-N 2 0 256.349 2.602 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C4CC4)c3)C[C@@H]12 ZINC000261588738 383522645 /nfs/dbraw/zinc/52/26/45/383522645.db2.gz KIKOSWKDRVPLMF-GVDBMIGSSA-N 2 0 256.393 2.733 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]12 ZINC000261593667 383523667 /nfs/dbraw/zinc/52/36/67/383523667.db2.gz NAQQZLDJXYDLHP-HZSPNIEDSA-N 2 0 266.335 2.793 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]12 ZINC000261626797 383532729 /nfs/dbraw/zinc/53/27/29/383532729.db2.gz HEPGMECZZOOKPN-NUEKZKHPSA-N 2 0 283.375 2.511 10 0 CFAERP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261950053 383583951 /nfs/dbraw/zinc/58/39/51/383583951.db2.gz OCLDOHLHTOZWCS-OAGGEKHMSA-N 2 0 294.826 2.587 10 0 CFAERP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261950051 383584645 /nfs/dbraw/zinc/58/46/45/383584645.db2.gz OCLDOHLHTOZWCS-ARFHVFGLSA-N 2 0 294.826 2.587 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC000261780989 383559614 /nfs/dbraw/zinc/55/96/14/383559614.db2.gz PNQMIGKIMLAJCP-VHRBIJSZSA-N 2 0 284.325 2.875 10 0 CFAERP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000262668159 383633951 /nfs/dbraw/zinc/63/39/51/383633951.db2.gz LQOJZJRERYHFAX-DOTOQJQBSA-N 2 0 297.487 2.521 10 0 CFAERP C[C@H]([NH2+]CC(C)(C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643460670 384642960 /nfs/dbraw/zinc/64/29/60/384642960.db2.gz AXEXCSTWAPAPPC-GJZGRUSLSA-N 2 0 260.425 2.942 10 0 CFAERP C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000381735747 393567246 /nfs/dbraw/zinc/56/72/46/393567246.db2.gz TWZVPQVCNUQJJC-JHJVBQTASA-N 2 0 260.372 2.729 10 0 CFAERP CCC[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195266436 393736452 /nfs/dbraw/zinc/73/64/52/393736452.db2.gz FBNWYNLJJNNMKE-CYBMUJFWSA-N 2 0 267.442 2.615 10 0 CFAERP CCOc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231460446 393781815 /nfs/dbraw/zinc/78/18/15/393781815.db2.gz QXNNDADKUZOSLG-OAHLLOKOSA-N 2 0 262.397 2.659 10 0 CFAERP COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000245638509 393820116 /nfs/dbraw/zinc/82/01/16/393820116.db2.gz CTANBIMKIQBPBV-GJZGRUSLSA-N 2 0 276.424 2.682 10 0 CFAERP C[C@H]([NH2+]CC(C1CCC1)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000530213679 394483100 /nfs/dbraw/zinc/48/31/00/394483100.db2.gz UYVZIBFVFLOSMP-WFASDCNBSA-N 2 0 250.430 2.790 10 0 CFAERP CC1(C)C[NH2+][C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000238854027 397627436 /nfs/dbraw/zinc/62/74/36/397627436.db2.gz MDWGXNBHOPYZDH-INIZCTEOSA-N 2 0 258.409 2.897 10 0 CFAERP CCc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)cc1 ZINC000020179538 171044556 /nfs/dbraw/zinc/04/45/56/171044556.db2.gz MLSGPPBGDZWRHD-GOSISDBHSA-N 2 0 289.467 2.522 10 0 CFAERP Cc1noc(C)c1C[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020253234 171106207 /nfs/dbraw/zinc/10/62/07/171106207.db2.gz WJOKBTYWTZXXAU-UHFFFAOYSA-N 2 0 273.380 2.643 10 0 CFAERP COC(C)(C)C[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000020524682 171237600 /nfs/dbraw/zinc/23/76/00/171237600.db2.gz SAOTXXQGNICKFK-HNNXBMFYSA-N 2 0 270.461 2.902 10 0 CFAERP CC[N@H+](CC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000022217752 171376301 /nfs/dbraw/zinc/37/63/01/171376301.db2.gz JULBGHXQTQKJBW-UHFFFAOYSA-N 2 0 289.423 2.738 10 0 CFAERP CCCc1ccc([C@H]([NH3+])CN2CC[NH+](CCC)CC2)cc1 ZINC000022562749 171391032 /nfs/dbraw/zinc/39/10/32/171391032.db2.gz NIQCIYRYPKCJQP-GOSISDBHSA-N 2 0 289.467 2.667 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037209099 173030876 /nfs/dbraw/zinc/03/08/76/173030876.db2.gz ADESZHYKLIJJDG-DZGCQCFKSA-N 2 0 264.388 2.688 10 0 CFAERP C[C@H]([NH2+]CCc1cccs1)[C@H]1CCC[N@H+](C)C1 ZINC000037210074 173031949 /nfs/dbraw/zinc/03/19/49/173031949.db2.gz CGTFUMMFLJYLMM-STQMWFEESA-N 2 0 252.427 2.611 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)c2ccncc2)CC1 ZINC000037220131 173038178 /nfs/dbraw/zinc/03/81/78/173038178.db2.gz AQPWZMFTXGFMNZ-KGLIPLIRSA-N 2 0 261.413 2.853 10 0 CFAERP CCCC1CCC(C[NH3+])(N2CC[NH+](CCC)CC2)CC1 ZINC000037489513 173231377 /nfs/dbraw/zinc/23/13/77/173231377.db2.gz KSKWHDOOIOVDTR-UHFFFAOYSA-N 2 0 281.488 2.702 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC[C@H]2CCCO2)CC1 ZINC000038096075 174110293 /nfs/dbraw/zinc/11/02/93/174110293.db2.gz ZRBIXXMCJLHJNG-GDBMZVCRSA-N 2 0 268.445 2.656 10 0 CFAERP CCCCOCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000040506730 174301988 /nfs/dbraw/zinc/30/19/88/174301988.db2.gz UZJCJUWZDWTZHA-HUUCEWRRSA-N 2 0 256.434 2.513 10 0 CFAERP CCCCOCC[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000040506739 174302327 /nfs/dbraw/zinc/30/23/27/174302327.db2.gz LUFGGOKDQPQCRB-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040621500 174354525 /nfs/dbraw/zinc/35/45/25/174354525.db2.gz JLJGPEYPFDWSCN-WMLDXEAASA-N 2 0 258.409 2.994 10 0 CFAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(O)cc2)C1 ZINC000040621298 174354980 /nfs/dbraw/zinc/35/49/80/174354980.db2.gz MKUFQPTYUZSJJC-UONOGXRCSA-N 2 0 262.397 2.773 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040622566 174355920 /nfs/dbraw/zinc/35/59/20/174355920.db2.gz ZILSVIPOLSUWPY-SJORKVTESA-N 3 0 295.515 2.817 10 0 CFAERP CCOC1CC[NH+]([C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000040689331 174376562 /nfs/dbraw/zinc/37/65/62/174376562.db2.gz KKIQFNRJKOKVEY-HUUCEWRRSA-N 2 0 254.418 2.537 10 0 CFAERP CCC[C@H]([NH3+])[C@@H](CC)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693907 174377687 /nfs/dbraw/zinc/37/76/87/174377687.db2.gz XUZZWIKNCUHLTH-DLBZAZTESA-N 2 0 281.488 2.843 10 0 CFAERP CCCCC[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693839 174377728 /nfs/dbraw/zinc/37/77/28/174377728.db2.gz QUIQUIDBKJHXMZ-KRWDZBQOSA-N 2 0 281.488 2.844 10 0 CFAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040693863 174377796 /nfs/dbraw/zinc/37/77/96/174377796.db2.gz OYULGHLCDZFJKF-SJLPKXTDSA-N 2 0 293.499 2.844 10 0 CFAERP [NH3+][C@H]1CCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693951 174378019 /nfs/dbraw/zinc/37/80/19/174378019.db2.gz PQJNATYVROPDKL-IRXDYDNUSA-N 2 0 279.472 2.597 10 0 CFAERP C[N@@H+]1CCC[C@H](n2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000040715944 174383900 /nfs/dbraw/zinc/38/39/00/174383900.db2.gz KEJYBHNTPRYLPE-VIFPVBQESA-N 2 0 264.760 2.539 10 0 CFAERP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000040746505 174391635 /nfs/dbraw/zinc/39/16/35/174391635.db2.gz HQTMTZUUJNVUGL-XYPWUTKMSA-N 2 0 283.419 2.893 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)F)cc1 ZINC000040749253 174393785 /nfs/dbraw/zinc/39/37/85/174393785.db2.gz ZMQGXIIRLMIFMH-YHWZYXNKSA-N 2 0 282.334 2.742 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCN2CCCCCC2)CC1 ZINC000040767734 174398084 /nfs/dbraw/zinc/39/80/84/174398084.db2.gz YAHZZLYMQLQKAZ-MRXNPFEDSA-N 2 0 281.488 2.572 10 0 CFAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C)cc1 ZINC000042909998 174909794 /nfs/dbraw/zinc/90/97/94/174909794.db2.gz FTLBEMRDXPNEME-SJLPKXTDSA-N 2 0 291.483 2.903 10 0 CFAERP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C2CC2)CC1 ZINC000042946077 174921864 /nfs/dbraw/zinc/92/18/64/174921864.db2.gz PIMUSGXXKHJRDO-WBMJQRKESA-N 2 0 293.842 2.508 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccco1)N(CC[NH+](C)C)CC(C)C ZINC000043336305 175012044 /nfs/dbraw/zinc/01/20/44/175012044.db2.gz GHEHEEOLPFDNTI-GOEBONIOSA-N 2 0 281.444 2.578 10 0 CFAERP CC(C)C[N@H+](CCC(N)=[NH2+])Cc1ccc(F)cc1 ZINC000043423039 175039221 /nfs/dbraw/zinc/03/92/21/175039221.db2.gz HETPXJQVYQPJOJ-UHFFFAOYSA-N 2 0 251.349 2.610 10 0 CFAERP COc1ccc(C[N@H+](CCC(N)=[NH2+])CC(C)C)cc1F ZINC000043422978 175039338 /nfs/dbraw/zinc/03/93/38/175039338.db2.gz QLYBGZBDMDGPPQ-UHFFFAOYSA-N 2 0 281.375 2.618 10 0 CFAERP CC[NH+](CC)CCOc1ccc(C[NH2+]C)cc1Cl ZINC000043477887 175055384 /nfs/dbraw/zinc/05/53/84/175055384.db2.gz TTYFYHCIEDLURS-UHFFFAOYSA-N 2 0 270.804 2.780 10 0 CFAERP C[C@H](C[NH3+])C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000043511975 175060765 /nfs/dbraw/zinc/06/07/65/175060765.db2.gz MNDRSDMZIIGTPD-SNVBAGLBSA-N 2 0 260.303 2.732 10 0 CFAERP C[C@H](C[C@H](C[NH3+])N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043534828 175062969 /nfs/dbraw/zinc/06/29/69/175062969.db2.gz QWYVDECDIIHYEG-CRAIPNDOSA-N 2 0 289.467 2.534 10 0 CFAERP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559854 175065854 /nfs/dbraw/zinc/06/58/54/175065854.db2.gz QQNAFMNXCYTNNM-IHRRRGAJSA-N 2 0 289.423 2.606 10 0 CFAERP C[C@@H](Cc1ccco1)[NH2+]CCC[C@@H]1CCC[NH2+]C1 ZINC000043592030 175074221 /nfs/dbraw/zinc/07/42/21/175074221.db2.gz LFBIYWZZIQUYHZ-KBPBESRZSA-N 2 0 250.386 2.580 10 0 CFAERP CCC[NH+]1CCN([C@H]2C[C@H](CC)CC[C@@H]2[NH2+]CC)CC1 ZINC000043805509 175107546 /nfs/dbraw/zinc/10/75/46/175107546.db2.gz QHLGYRNPSIUEIY-IKGGRYGDSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH+]1CCN(C[C@@H]([NH2+]CC)c2ccccc2C)CC1 ZINC000043805540 175107706 /nfs/dbraw/zinc/10/77/06/175107706.db2.gz UEYWQPMUSOISLQ-GOSISDBHSA-N 2 0 289.467 2.673 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N1CC[NH+](CC)CC1 ZINC000043806235 175108445 /nfs/dbraw/zinc/10/84/45/175108445.db2.gz GFEFLCMVKAZMAP-HZPDHXFCSA-N 2 0 269.477 2.571 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043810775 175110023 /nfs/dbraw/zinc/11/00/23/175110023.db2.gz MMJYEPYXQLSNID-ZWKOTPCHSA-N 2 0 289.467 2.609 10 0 CFAERP CC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810892 175110220 /nfs/dbraw/zinc/11/02/20/175110220.db2.gz QJSGFMGAMRWCML-YJBOKZPZSA-N 2 0 289.467 2.536 10 0 CFAERP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000043818261 175112938 /nfs/dbraw/zinc/11/29/38/175112938.db2.gz NCKUOYTWEXJKFW-QAPCUYQASA-N 2 0 289.467 2.536 10 0 CFAERP C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N1CCC[N@H+](C)CC1 ZINC000043818135 175113044 /nfs/dbraw/zinc/11/30/44/175113044.db2.gz IUQCLWATYRSMIW-QZTJIDSGSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818541 175113849 /nfs/dbraw/zinc/11/38/49/175113849.db2.gz WEGZFIPYUREHOL-SJORKVTESA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccccc1C ZINC000043818576 175113924 /nfs/dbraw/zinc/11/39/24/175113924.db2.gz NVJSSFPQILFGBF-SFHVURJKSA-N 2 0 289.467 2.673 10 0 CFAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897319 175119739 /nfs/dbraw/zinc/11/97/39/175119739.db2.gz BSPHOQCBTMWZNB-MAUKXSAKSA-N 2 0 289.467 2.670 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccc(C)cc1 ZINC000043897047 175119987 /nfs/dbraw/zinc/11/99/87/175119987.db2.gz UFOKHAYDBBIHJL-GOSISDBHSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904895 175122457 /nfs/dbraw/zinc/12/24/57/175122457.db2.gz VCSJXSGLFIJAGM-JYJNAYRXSA-N 2 0 296.455 2.525 10 0 CFAERP C[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)c1ccc(C)cc1 ZINC000043965438 175126375 /nfs/dbraw/zinc/12/63/75/175126375.db2.gz ALHXKBJORXGBJZ-QGZVFWFLSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965571 175127083 /nfs/dbraw/zinc/12/70/83/175127083.db2.gz OQNUOIBDTQHFFQ-PMPSAXMXSA-N 2 0 281.488 2.569 10 0 CFAERP CCC[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967780 175129166 /nfs/dbraw/zinc/12/91/66/175129166.db2.gz MKVNGTAIWDGWGO-QZTJIDSGSA-N 2 0 293.499 2.857 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967665 175129185 /nfs/dbraw/zinc/12/91/85/175129185.db2.gz FNHSDOQPAUSLIB-MAUKXSAKSA-N 2 0 287.451 2.506 10 0 CFAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970546 175131692 /nfs/dbraw/zinc/13/16/92/175131692.db2.gz SWDMNEYMYVSKLW-YJBOKZPZSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000043970723 175132258 /nfs/dbraw/zinc/13/22/58/175132258.db2.gz VLPBUHDBVQKQEK-DLBZAZTESA-N 2 0 283.504 2.817 10 0 CFAERP CC[C@H](C)[N@H+](CCOC)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043973089 175132978 /nfs/dbraw/zinc/13/29/78/175132978.db2.gz ODBGWAMRJHQIPV-SOUVJXGZSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000043978348 175133309 /nfs/dbraw/zinc/13/33/09/175133309.db2.gz GWIFNDZWANLWQK-IRXDYDNUSA-N 2 0 283.504 2.959 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043978044 175133343 /nfs/dbraw/zinc/13/33/43/175133343.db2.gz HIUABSJXGUSSIG-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H](C)CC[N@H+](CCOC)C(CC)CC ZINC000043977264 175133562 /nfs/dbraw/zinc/13/35/62/175133562.db2.gz SNOMZWFOTOQLOU-AWEZNQCLSA-N 2 0 258.450 2.902 10 0 CFAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982158 175133879 /nfs/dbraw/zinc/13/38/79/175133879.db2.gz NYCSOVDHGCXMGG-BBWFWOEESA-N 2 0 283.504 2.673 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@H](CC)N(CC[NH+](C)C)CC(C)C ZINC000043982089 175133970 /nfs/dbraw/zinc/13/39/70/175133970.db2.gz RIKQQQGEPPUMAK-CVEARBPZSA-N 2 0 271.493 2.673 10 0 CFAERP CCC[NH2+][C@H](CN(CC[NH+](C)C)CC(C)C)C(C)(C)C ZINC000043982337 175134143 /nfs/dbraw/zinc/13/41/43/175134143.db2.gz YWYONOIZKNGMKR-MRXNPFEDSA-N 2 0 285.520 2.920 10 0 CFAERP C[NH+](C)C1CC[NH+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2O)CC1 ZINC000044133057 175145154 /nfs/dbraw/zinc/14/51/54/175145154.db2.gz ZFDBYRYVKMPLII-IMJJTQAJSA-N 2 0 282.472 2.588 10 0 CFAERP CCC[NH+]1CCN([C@H](c2cccc(C)c2)[C@@H]([NH3+])CC)CC1 ZINC000044418427 175173139 /nfs/dbraw/zinc/17/31/39/175173139.db2.gz RAXDCFINSCKIIH-ZWKOTPCHSA-N 2 0 289.467 2.801 10 0 CFAERP CCC[NH+]1CCN([C@H](C[NH3+])C[C@@H](C)c2ccccc2)CC1 ZINC000044427757 175175475 /nfs/dbraw/zinc/17/54/75/175175475.db2.gz NBHUCHRSIJOVLX-AEFFLSMTSA-N 2 0 289.467 2.535 10 0 CFAERP CC[NH+]1CCC(C[NH2+]CCCc2ccccc2)CC1 ZINC000044517634 175190526 /nfs/dbraw/zinc/19/05/26/175190526.db2.gz VJUSMFXIIKPCQW-UHFFFAOYSA-N 2 0 260.425 2.941 10 0 CFAERP COc1ccccc1C[NH2+]CCCC[N@H+](C)C(C)C ZINC000044573249 175210300 /nfs/dbraw/zinc/21/03/00/175210300.db2.gz WCCPBAYLOVXIDI-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP COc1ccc(C[NH2+]CCCC[N@H+](C)C(C)C)cc1OC ZINC000044573222 175210343 /nfs/dbraw/zinc/21/03/43/175210343.db2.gz MMKDRVICABONQE-UHFFFAOYSA-N 2 0 294.439 2.914 10 0 CFAERP c1ccc([C@@H]2C[C@H]2[NH2+]CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000044675900 175227068 /nfs/dbraw/zinc/22/70/68/175227068.db2.gz JKJTWLIWPOPPCT-BHYGNILZSA-N 2 0 258.409 2.912 10 0 CFAERP Nc1[nH+]c2cccc(Cl)c2n1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726528 175238786 /nfs/dbraw/zinc/23/87/86/175238786.db2.gz RJQBDZDRMCUWDJ-JTQLQIEISA-N 2 0 276.771 2.681 10 0 CFAERP C[N@H+](CCOc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068397 175300135 /nfs/dbraw/zinc/30/01/35/175300135.db2.gz YITSJPPCXVKVJC-UHFFFAOYSA-N 2 0 250.386 2.502 10 0 CFAERP [NH3+]Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000045069367 175300655 /nfs/dbraw/zinc/30/06/55/175300655.db2.gz YBMMOYAIZFFKPR-MSOLQXFVSA-N 2 0 288.435 2.833 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](CC)C1CCCC1 ZINC000045390455 175374678 /nfs/dbraw/zinc/37/46/78/175374678.db2.gz JPOVATIZUSYUEY-INIZCTEOSA-N 2 0 284.444 2.702 10 0 CFAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)C(CC)CC ZINC000045391402 175374872 /nfs/dbraw/zinc/37/48/72/175374872.db2.gz CBIFYPHISRIGQI-OAHLLOKOSA-N 2 0 272.433 2.558 10 0 CFAERP CCCC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045421732 175380354 /nfs/dbraw/zinc/38/03/54/175380354.db2.gz LVDYTQJWFLPYEJ-MRXNPFEDSA-N 2 0 284.444 2.702 10 0 CFAERP C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071190404 176066761 /nfs/dbraw/zinc/06/67/61/176066761.db2.gz HBOAKXYBWPAQLU-CYBMUJFWSA-N 2 0 297.240 2.833 10 0 CFAERP CCCN(c1cc[nH+]c2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071332421 176125580 /nfs/dbraw/zinc/12/55/80/176125580.db2.gz QHXITJYVCFPERS-CYBMUJFWSA-N 2 0 255.365 2.813 10 0 CFAERP CCCCOc1ccc([C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC000071594630 176217778 /nfs/dbraw/zinc/21/77/78/176217778.db2.gz KNHOYLGDZWCDCQ-INIZCTEOSA-N 2 0 262.397 2.865 10 0 CFAERP COc1cc(C)c(Cl)cc1[C@@H](CC[NH3+])C[NH+](C)C ZINC000076710779 177067790 /nfs/dbraw/zinc/06/77/90/177067790.db2.gz IEVPHWAEGCNEIU-NSHDSACASA-N 2 0 270.804 2.651 10 0 CFAERP CC[C@H](CC[NH3+])CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000079209637 177446678 /nfs/dbraw/zinc/44/66/78/177446678.db2.gz VKIWHMLGPBHTAY-AWEZNQCLSA-N 2 0 297.487 2.521 10 0 CFAERP CC[C@@H](CC[NH3+])CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000079209639 177446719 /nfs/dbraw/zinc/44/67/19/177446719.db2.gz VKIWHMLGPBHTAY-CQSZACIVSA-N 2 0 297.487 2.521 10 0 CFAERP [NH3+]C1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000258922503 270274281 /nfs/dbraw/zinc/27/42/81/270274281.db2.gz YJBIWLHQGZQVEX-UHFFFAOYSA-N 2 0 297.240 2.851 10 0 CFAERP Clc1cc(Cl)cc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398371138 270321783 /nfs/dbraw/zinc/32/17/83/270321783.db2.gz QSOHPIWFKAKTNY-VIFPVBQESA-N 2 0 259.180 2.693 10 0 CFAERP CC[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000402537553 287865593 /nfs/dbraw/zinc/86/55/93/287865593.db2.gz CTDPNXKKIZNKMX-OUAUKWLOSA-N 2 0 252.324 2.553 10 0 CFAERP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261552168 279393962 /nfs/dbraw/zinc/39/39/62/279393962.db2.gz VUOIFVANHFUCJV-RYUDHWBXSA-N 2 0 260.372 2.871 10 0 CFAERP Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2[nH+]1 ZINC000261872011 280579337 /nfs/dbraw/zinc/57/93/37/280579337.db2.gz ZCOCQNWUEBGXCQ-KRWDZBQOSA-N 2 0 267.376 2.733 10 0 CFAERP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CC(F)(F)F ZINC000575795009 322729556 /nfs/dbraw/zinc/72/95/56/322729556.db2.gz ASAWGCCRWSXBAD-SDDRHHMPSA-N 2 0 266.351 2.943 10 0 CFAERP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CC2CCC1CC2 ZINC000382070307 324425165 /nfs/dbraw/zinc/42/51/65/324425165.db2.gz GZVHYEDOEUCFIQ-LWQJKRBBSA-N 2 0 250.430 2.790 10 0 CFAERP CC(C)CC[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197849 519650479 /nfs/dbraw/zinc/65/04/79/519650479.db2.gz DXYQJXTUUAZLIP-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181785 519719797 /nfs/dbraw/zinc/71/97/97/519719797.db2.gz KTFNFSWKIFDVRP-CQSZACIVSA-N 2 0 268.445 2.512 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380709 519743600 /nfs/dbraw/zinc/74/36/00/519743600.db2.gz ILPOSYZZNNPLLG-KKUMJFAQSA-N 2 0 256.434 2.510 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000052198217 519913821 /nfs/dbraw/zinc/91/38/21/519913821.db2.gz FDHNNWCYDCCWAW-CABCVRRESA-N 2 0 268.445 2.513 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C(C)(C)C)O1 ZINC000052504561 519923790 /nfs/dbraw/zinc/92/37/90/519923790.db2.gz KBMLAGJKOFBEDO-KKUMJFAQSA-N 2 0 270.461 2.900 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000052484474 520005674 /nfs/dbraw/zinc/00/56/74/520005674.db2.gz VOMDUFQMSMLSKS-AWEZNQCLSA-N 2 0 262.397 2.517 10 0 CFAERP CCC(C)(C)[N@H+](C)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000069443759 521305409 /nfs/dbraw/zinc/30/54/09/521305409.db2.gz GPRPMTDTNNFKOO-MRXNPFEDSA-N 2 0 270.461 2.902 10 0 CFAERP CC[C@@H](C)[N@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181194 522050224 /nfs/dbraw/zinc/05/02/24/522050224.db2.gz KKARTDWPUGKZGX-OAHLLOKOSA-N 2 0 270.461 2.759 10 0 CFAERP C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccoc1C ZINC000052346621 522133523 /nfs/dbraw/zinc/13/35/23/522133523.db2.gz XPGKKPXTNLDMIM-UHFFFAOYSA-N 2 0 258.365 2.939 10 0 CFAERP C(C[C@@H]1CCCC[NH2+]1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000050952999 518393805 /nfs/dbraw/zinc/39/38/05/518393805.db2.gz VXRFGKMQKVSBBH-KRWDZBQOSA-N 3 0 293.499 2.859 10 0 CFAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052503250 519716692 /nfs/dbraw/zinc/71/66/92/519716692.db2.gz BAWNPUBRUVLQDC-INIZCTEOSA-N 2 0 285.520 2.919 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC000052197542 519719648 /nfs/dbraw/zinc/71/96/48/519719648.db2.gz WZUBNVYROLHRTE-UHFFFAOYSA-N 2 0 270.461 2.759 10 0 CFAERP CC(C)[NH2+]CC[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417136 519722354 /nfs/dbraw/zinc/72/23/54/519722354.db2.gz FNBHOGRVFHVGHC-KRWDZBQOSA-N 2 0 289.467 2.581 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417534 519724075 /nfs/dbraw/zinc/72/40/75/519724075.db2.gz JOZHCYANTIQTLO-DLBZAZTESA-N 2 0 276.424 2.664 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417537 519725151 /nfs/dbraw/zinc/72/51/51/519725151.db2.gz JOZHCYANTIQTLO-SJORKVTESA-N 2 0 276.424 2.664 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](Cc2ccco2)C2CC2)O1 ZINC000052370920 519725711 /nfs/dbraw/zinc/72/57/11/519725711.db2.gz GNRTWCGGBFMJBQ-NVXWUHKLSA-N 2 0 292.423 2.790 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416601 519725795 /nfs/dbraw/zinc/72/57/95/519725795.db2.gz WQZJDDMFHOTRLO-CABCVRRESA-N 2 0 294.464 2.652 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000052423939 519743792 /nfs/dbraw/zinc/74/37/92/519743792.db2.gz KXFWRSRRRCQMBS-INIZCTEOSA-N 2 0 277.456 2.970 10 0 CFAERP CC(C)C[NH2+]Cc1ccoc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453179 519747992 /nfs/dbraw/zinc/74/79/92/519747992.db2.gz LZFIISCDIWEHEU-CQSZACIVSA-N 2 0 282.453 2.963 10 0 CFAERP CC(C)C[C@@H](C[NH+](C)C)N1Cc2ccccc2C1=[NH2+] ZINC000049557996 519775048 /nfs/dbraw/zinc/77/50/48/519775048.db2.gz QREVQLJZGRRZKD-AWEZNQCLSA-N 2 0 259.397 2.804 10 0 CFAERP CCC1CCC([N@H+](C)Cc2cc[nH+]c(NN)c2)CC1 ZINC000052722164 519853227 /nfs/dbraw/zinc/85/32/27/519853227.db2.gz IDALZFVKQAYPCI-UHFFFAOYSA-N 2 0 262.401 2.768 10 0 CFAERP CCC[NH+]1CCN([C@H](C[NH2+]C(C)C)c2ccccc2)CC1 ZINC000052422105 519859842 /nfs/dbraw/zinc/85/98/42/519859842.db2.gz IVLKKXWQLDWTGM-GOSISDBHSA-N 2 0 289.467 2.753 10 0 CFAERP CCCC(C[NH3+])(CCC)N1CC[NH+](C2CCCC2)CC1 ZINC000052060776 519885030 /nfs/dbraw/zinc/88/50/30/519885030.db2.gz NUJDKVNRQNFTNR-UHFFFAOYSA-N 2 0 281.488 2.844 10 0 CFAERP CCCC1CCC(C[NH3+])(N(C)C2CC[NH+](C)CC2)CC1 ZINC000050499149 519895403 /nfs/dbraw/zinc/89/54/03/519895403.db2.gz RNNLDXGABXSPMZ-UHFFFAOYSA-N 2 0 281.488 2.700 10 0 CFAERP CCCC1CC[NH+](CCOc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000050893898 519901280 /nfs/dbraw/zinc/90/12/80/519901280.db2.gz FUAJJVFFJUWHLA-UHFFFAOYSA-N 2 0 289.423 2.862 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H](CC)C2)CCOCC1 ZINC000052181821 519911031 /nfs/dbraw/zinc/91/10/31/519911031.db2.gz VOKWVSYZGVECBM-INIZCTEOSA-N 2 0 282.472 2.905 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181992 519913480 /nfs/dbraw/zinc/91/34/80/519913480.db2.gz GORRTLYEMVMMCM-IAGOWNOFSA-N 2 0 294.483 2.905 10 0 CFAERP CCC[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](CCC)CC1 ZINC000052422099 519922423 /nfs/dbraw/zinc/92/24/23/519922423.db2.gz BYIOGHKXVDHYNF-SFHVURJKSA-N 2 0 289.467 2.755 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)[C@@H](C)CC)O1 ZINC000052451468 519938124 /nfs/dbraw/zinc/93/81/24/519938124.db2.gz VWKWJIQBBCBVFE-RRFJBIMHSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H](C)C(C)(C)C)O1 ZINC000052504559 519938605 /nfs/dbraw/zinc/93/86/05/519938605.db2.gz KBMLAGJKOFBEDO-RRFJBIMHSA-N 2 0 270.461 2.900 10 0 CFAERP CCC[NH2+]Cc1ccc(CN(CC[NH+](C)C)CC(C)C)o1 ZINC000052503318 519947971 /nfs/dbraw/zinc/94/79/71/519947971.db2.gz NIQXXFZJTKHYQH-UHFFFAOYSA-N 2 0 295.471 2.799 10 0 CFAERP CCC[NH2+][C@@H](CCC)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065020 519992863 /nfs/dbraw/zinc/99/28/63/519992863.db2.gz CHVOLQAESPCSFC-CVEARBPZSA-N 2 0 269.477 2.571 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@@H+]2CCC[C@H]2C)c1 ZINC000052375869 520005643 /nfs/dbraw/zinc/00/56/43/520005643.db2.gz AUNJHKSPBNRGOS-CQSZACIVSA-N 2 0 262.397 2.659 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000052484475 520006229 /nfs/dbraw/zinc/00/62/29/520006229.db2.gz VOMDUFQMSMLSKS-CQSZACIVSA-N 2 0 262.397 2.517 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000052375867 520006577 /nfs/dbraw/zinc/00/65/77/520006577.db2.gz AUNJHKSPBNRGOS-AWEZNQCLSA-N 2 0 262.397 2.659 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@H+](C)[C@@H](C)CC)c1 ZINC000052444143 520006602 /nfs/dbraw/zinc/00/66/02/520006602.db2.gz RQQYKRWYFRQPOE-AWEZNQCLSA-N 2 0 264.413 2.905 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@H+](CC)C2CC2)c1 ZINC000052452020 520006739 /nfs/dbraw/zinc/00/67/39/520006739.db2.gz KXARGUUYIIQMGJ-UHFFFAOYSA-N 2 0 262.397 2.659 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C(C)(C)CC)OCCO2 ZINC000069431426 520093237 /nfs/dbraw/zinc/09/32/37/520093237.db2.gz LUZBAUOTWHWHNR-LSDHHAIUSA-N 2 0 298.471 2.771 10 0 CFAERP CC[N@H+](C)CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052446125 520239618 /nfs/dbraw/zinc/23/96/18/520239618.db2.gz PORIHFQJFHLEHZ-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CC[N@H+](C)CCOc1ccccc1C[NH2+]C(C)C ZINC000052446083 520240420 /nfs/dbraw/zinc/24/04/20/520240420.db2.gz SYTWIKWBSOUCDL-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CCO[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]C(C)C)C1 ZINC000052372263 520319465 /nfs/dbraw/zinc/31/94/65/520319465.db2.gz LFPDEJFMINKCDG-LSDHHAIUSA-N 2 0 256.434 2.654 10 0 CFAERP CCCC[N@H+](CC1(C[NH2+]C)CCOCC1)[C@H](C)CC ZINC000052198192 520483034 /nfs/dbraw/zinc/48/30/34/520483034.db2.gz LNJUKQDPFHOFPG-OAHLLOKOSA-N 2 0 270.461 2.903 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050939681 520627008 /nfs/dbraw/zinc/62/70/08/520627008.db2.gz PSOQGWBQLTUNAV-HZPDHXFCSA-N 2 0 297.487 2.535 10 0 CFAERP CC[NH+](CC)CCOc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000051549222 520698344 /nfs/dbraw/zinc/69/83/44/520698344.db2.gz NURAKDGDEILGSP-UHFFFAOYSA-N 2 0 279.428 2.690 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N(CCC)CC[NH+](C)C ZINC000069380637 521120365 /nfs/dbraw/zinc/12/03/65/521120365.db2.gz KQGCEQSPALXOCP-HNNXBMFYSA-N 2 0 257.466 2.558 10 0 CFAERP CCOc1ccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231668446 521174897 /nfs/dbraw/zinc/17/48/97/521174897.db2.gz XQXWYDYQBAJJIE-OAHLLOKOSA-N 2 0 292.423 2.538 10 0 CFAERP CCC(CC)[NH2+]C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062974228 521595961 /nfs/dbraw/zinc/59/59/61/521595961.db2.gz NOCVCTIDTJSYGE-HOCLYGCPSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[N@H+](CC)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181215 521605512 /nfs/dbraw/zinc/60/55/12/521605512.db2.gz BDBLPVUAQNVBRZ-UHFFFAOYSA-N 2 0 270.461 2.761 10 0 CFAERP CCC[N@H+](CC1(C[NH2+]C(C)C)CCOCC1)C(C)C ZINC000052181409 521618319 /nfs/dbraw/zinc/61/83/19/521618319.db2.gz OORQKNJIMUGEGU-UHFFFAOYSA-N 2 0 270.461 2.902 10 0 CFAERP CC[N@@H+]1CCC[C@H](n2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000049220602 521651245 /nfs/dbraw/zinc/65/12/45/521651245.db2.gz ZXKMVRKPBGWAQR-JTQLQIEISA-N 2 0 278.787 2.929 10 0 CFAERP CCC[N@H+](CCCCC[NH2+]C(C)(C)C)CCN(C)C ZINC000052544248 521652081 /nfs/dbraw/zinc/65/20/81/521652081.db2.gz NOJJOWACGQPUOQ-UHFFFAOYSA-N 2 0 271.493 2.818 10 0 CFAERP CCc1cccc2c(C[N@@H+]3CC[C@@H](C[NH3+])C3)c[nH]c21 ZINC000050245473 521793935 /nfs/dbraw/zinc/79/39/35/521793935.db2.gz MUYIUHNENBKVKY-LBPRGKRZSA-N 2 0 257.381 2.511 10 0 CFAERP CCc1ccccc1[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000052203796 521953363 /nfs/dbraw/zinc/95/33/63/521953363.db2.gz JDORKCYWRFZBPJ-SFHVURJKSA-N 2 0 289.467 2.522 10 0 CFAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000052182765 521970323 /nfs/dbraw/zinc/97/03/23/521970323.db2.gz FJFNFTDWDKTOQS-MRXNPFEDSA-N 2 0 280.456 2.657 10 0 CFAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443406 521998600 /nfs/dbraw/zinc/99/86/00/521998600.db2.gz JQBVMBGQZBNDCC-CQSZACIVSA-N 2 0 295.858 2.850 10 0 CFAERP C[NH2+]C[C@@H](O[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000061702384 522037712 /nfs/dbraw/zinc/03/77/12/522037712.db2.gz BGHBRXWFFQSDBK-IAGOWNOFSA-N 2 0 276.424 2.522 10 0 CFAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](Cc2ccccc2)C(C)C)O1 ZINC000052417210 522095245 /nfs/dbraw/zinc/09/52/45/522095245.db2.gz FEGWTICMUPQSNF-IAGOWNOFSA-N 2 0 276.424 2.664 10 0 CFAERP C[NH2+]Cc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000052420704 522121606 /nfs/dbraw/zinc/12/16/06/522121606.db2.gz QKONHUAMYCWXQZ-GJZGRUSLSA-N 2 0 276.424 2.763 10 0 CFAERP C[N@H+](CCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231669527 522912437 /nfs/dbraw/zinc/91/24/37/522912437.db2.gz BBMFPEPZPCZDCG-CQSZACIVSA-N 2 0 282.815 2.793 10 0 CFAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCCC[NH2+]CC(C)C ZINC000052571157 523514538 /nfs/dbraw/zinc/51/45/38/523514538.db2.gz YRRWJCYLAONMKR-HZPDHXFCSA-N 2 0 270.461 2.902 10 0 CFAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000361886466 523781617 /nfs/dbraw/zinc/78/16/17/523781617.db2.gz LCJGPBNSOUBXAL-CABCVRRESA-N 2 0 282.472 2.638 10 0 CFAERP CC[C@H](C)[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181184 523914554 /nfs/dbraw/zinc/91/45/54/523914554.db2.gz DUBTZHUVHWLVQO-AWEZNQCLSA-N 2 0 256.434 2.512 10 0 CFAERP C[C@H](CCC[NH3+])[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443474 524141107 /nfs/dbraw/zinc/14/11/07/524141107.db2.gz MLYYDFXVVHCGEI-CYBMUJFWSA-N 2 0 281.831 2.589 10 0 CFAERP C[C@H](CC[NH2+]C1CC1)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346251 524194465 /nfs/dbraw/zinc/19/44/65/524194465.db2.gz QFJPYSVNEYNBBR-GFCCVEGCSA-N 2 0 250.361 2.788 10 0 CFAERP Cc1cc(C)c(C[NH2+]C(C)C)c(OCC[NH+]2CCCC2)n1 ZINC000051548936 524269585 /nfs/dbraw/zinc/26/95/85/524269585.db2.gz GAMPFRZAILCPLL-UHFFFAOYSA-N 2 0 291.439 2.671 10 0 CFAERP C[C@@H](CN1Cc2ccccc2C1=[NH2+])C[NH+]1CCCC1 ZINC000062075212 524314425 /nfs/dbraw/zinc/31/44/25/524314425.db2.gz RXTPMVUTDVQYST-CYBMUJFWSA-N 2 0 257.381 2.559 10 0 CFAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCOc1ccccc1 ZINC000061815912 524351588 /nfs/dbraw/zinc/35/15/88/524351588.db2.gz VLGAAEKUGDKYML-GJZGRUSLSA-N 2 0 262.397 2.515 10 0 CFAERP C[C@@H](C[NH+]1CCCCC1)N1Cc2ccccc2C1=[NH2+] ZINC000049501996 524603374 /nfs/dbraw/zinc/60/33/74/524603374.db2.gz QVKNGNOXMWBHOL-ZDUSSCGKSA-N 2 0 257.381 2.702 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205748 524747306 /nfs/dbraw/zinc/74/73/06/524747306.db2.gz GMAMQFCKSDJHQZ-ZIAGYGMSSA-N 2 0 250.386 2.675 10 0 CFAERP C[C@@H](Cc1ccco1)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205743 524927124 /nfs/dbraw/zinc/92/71/24/524927124.db2.gz GMAMQFCKSDJHQZ-KBPBESRZSA-N 2 0 250.386 2.675 10 0 CFAERP C[C@@H]1C[N@@H+](Cc2c(C[NH3+])oc3ccccc32)C[C@H](C)O1 ZINC000052380404 524980462 /nfs/dbraw/zinc/98/04/62/524980462.db2.gz MFCYFAQQGJZJRV-TXEJJXNPSA-N 2 0 274.364 2.501 10 0 CFAERP C[C@@H]([NH3+])c1ccc(F)cc1OCC[NH+]1CCCCC1 ZINC000062745361 525026272 /nfs/dbraw/zinc/02/62/72/525026272.db2.gz DEGQPYRWVAIGJC-GFCCVEGCSA-N 2 0 266.360 2.710 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH3+] ZINC000050563667 525639786 /nfs/dbraw/zinc/63/97/86/525639786.db2.gz COPDTEAFGUSDSU-UONOGXRCSA-N 2 0 289.423 2.594 10 0 CFAERP COc1cccc(Cl)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000228761020 526095760 /nfs/dbraw/zinc/09/57/60/526095760.db2.gz VDCNTOUOCOWZPU-NSHDSACASA-N 2 0 282.815 2.908 10 0 CFAERP [NH3+]Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061702143 527257726 /nfs/dbraw/zinc/25/77/26/527257726.db2.gz POOUNTKKFBBTNS-GOSISDBHSA-N 2 0 282.387 2.799 10 0 CFAERP Cc1nc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000396442007 574355265 /nfs/dbraw/zinc/35/52/65/574355265.db2.gz AAGFDMJTAFJNGQ-MNOVXSKESA-N 2 0 267.442 2.832 10 0 CFAERP C/C(=C/c1ccco1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000096786403 618189797 /nfs/dbraw/zinc/18/97/97/618189797.db2.gz BXOYCRAQIMQUTH-SCOADAFUSA-N 2 0 260.381 2.758 10 0 CFAERP C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250941673 625149851 /nfs/dbraw/zinc/14/98/51/625149851.db2.gz ZMWRMSXYYXKLEU-QHEDDYRISA-N 2 0 278.440 2.551 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000093465381 650940720 /nfs/dbraw/zinc/94/07/20/650940720.db2.gz USRSORZRKNDPPM-KCQAQPDRSA-N 2 0 292.423 2.885 10 0 CFAERP CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000252865923 651027644 /nfs/dbraw/zinc/02/76/44/651027644.db2.gz QAOCKPFJSTZORK-SVXVCFNTSA-N 2 0 250.430 2.872 10 0 CFAERP c1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000133563201 646157842 /nfs/dbraw/zinc/15/78/42/646157842.db2.gz PRSJKXFWJKHMNR-ROUUACIJSA-N 2 0 287.451 2.555 10 0 CFAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000133588471 646166005 /nfs/dbraw/zinc/16/60/05/646166005.db2.gz UQUSYSMHSSCUNX-SFHVURJKSA-N 3 0 289.467 2.760 10 0 CFAERP CCC[NH2+]Cc1sc(CC[NH+](C)C)nc1CCC ZINC000082428819 178005150 /nfs/dbraw/zinc/00/51/50/178005150.db2.gz IKGNCVDDJVFUHF-UHFFFAOYSA-N 2 0 269.458 2.699 10 0 CFAERP CCCc1nc(CC[NH+](C)C)sc1C[NH2+]C(C)C ZINC000082428818 178005493 /nfs/dbraw/zinc/00/54/93/178005493.db2.gz YMRIQOVMFXSJTR-UHFFFAOYSA-N 2 0 269.458 2.698 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1OCCC[NH+](C)C ZINC000083383757 178387256 /nfs/dbraw/zinc/38/72/56/178387256.db2.gz PGOTYJVXJINTQO-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CC[C@H]1C[NH2+]C[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096950601 185139501 /nfs/dbraw/zinc/13/95/01/185139501.db2.gz RVKLADLAEWNDNI-DLBZAZTESA-N 2 0 258.409 2.898 10 0 CFAERP CC[NH2+][C@@](C)(CO)C[C@@H](C)[NH+]1CCC(C)(CC)CC1 ZINC000085212835 178976714 /nfs/dbraw/zinc/97/67/14/178976714.db2.gz JWBIAYJPOTXSQB-GDBMZVCRSA-N 2 0 270.461 2.638 10 0 CFAERP C[C@](CO)(CCCC[NH+]1CCCCCC1)[NH2+]C1CC1 ZINC000085218950 178979952 /nfs/dbraw/zinc/97/99/52/178979952.db2.gz ADVGIJHCHKRLEZ-MRXNPFEDSA-N 2 0 268.445 2.536 10 0 CFAERP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817359 179344970 /nfs/dbraw/zinc/34/49/70/179344970.db2.gz WQEDXFIHSPHZHO-UONOGXRCSA-N 2 0 250.386 2.675 10 0 CFAERP C[C@@H](Cc1c(F)cccc1F)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818695 179346513 /nfs/dbraw/zinc/34/65/13/179346513.db2.gz ZERAVGKIJQXAQZ-QWHCGFSZSA-N 2 0 282.378 2.970 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848391 179356174 /nfs/dbraw/zinc/35/61/74/179356174.db2.gz KRAZHLLKFDMGAI-QGZVFWFLSA-N 2 0 293.430 2.855 10 0 CFAERP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cccc(F)c2)CC1 ZINC000086837485 179351119 /nfs/dbraw/zinc/35/11/19/179351119.db2.gz VFYLOSYJTHRZJA-INIZCTEOSA-N 2 0 264.388 2.832 10 0 CFAERP CC[NH2+]CC[C@H](C[NH3+])c1cc(Br)cs1 ZINC000725268918 539626164 /nfs/dbraw/zinc/62/61/64/539626164.db2.gz GJENTQRLILVRCZ-MRVPVSSYSA-N 2 0 277.231 2.553 10 0 CFAERP CC[NH2+]CC[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000725268919 539626275 /nfs/dbraw/zinc/62/62/75/539626275.db2.gz GJENTQRLILVRCZ-QMMMGPOBSA-N 2 0 277.231 2.553 10 0 CFAERP CC(C)[NH2+]C[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725269341 539626526 /nfs/dbraw/zinc/62/65/26/539626526.db2.gz RWZWITADZHKMKB-AWEZNQCLSA-N 2 0 256.393 2.955 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CCC[NH+](C)C ZINC000104186992 185919298 /nfs/dbraw/zinc/91/92/98/185919298.db2.gz VFABYTTVMBWLIE-UKRRQHHQSA-N 2 0 283.485 2.718 10 0 CFAERP [NH3+]CCNc1c2ccccc2[nH+]c2c1CCCCCC2 ZINC000584904559 348733531 /nfs/dbraw/zinc/73/35/31/348733531.db2.gz VOTINOKVHAZSRC-UHFFFAOYSA-N 2 0 269.392 2.686 10 0 CFAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000105915589 186089093 /nfs/dbraw/zinc/08/90/93/186089093.db2.gz XHLUQGUNPAYUFH-MRXNPFEDSA-N 2 0 290.451 2.520 10 0 CFAERP [NH3+]CCN1CCCC[C@H](c2cccc(Cl)c2)C1 ZINC000616627492 352389634 /nfs/dbraw/zinc/38/96/34/352389634.db2.gz IDTRWVDBWKJGAH-ZDUSSCGKSA-N 2 0 252.789 2.868 10 0 CFAERP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133895432 187713626 /nfs/dbraw/zinc/71/36/26/187713626.db2.gz FDEHTDAMWMGFIY-MRXNPFEDSA-N 2 0 269.392 2.509 10 0 CFAERP [NH3+][C@H]1CCCCCN(c2cc[nH+]c3ccccc32)C1 ZINC000630548825 355108832 /nfs/dbraw/zinc/10/88/32/355108832.db2.gz GOKVBHYBSSRBOM-ZDUSSCGKSA-N 2 0 255.365 2.943 10 0 CFAERP C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631837835 355601498 /nfs/dbraw/zinc/60/14/98/355601498.db2.gz GAPXNTPPUIIBIW-MFKMUULPSA-N 2 0 254.324 2.651 10 0 CFAERP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631839533 355602366 /nfs/dbraw/zinc/60/23/66/355602366.db2.gz HIKIXPAIEJAFCC-ZFWWWQNUSA-N 2 0 262.397 2.500 10 0 CFAERP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1F ZINC000151964808 540401599 /nfs/dbraw/zinc/40/15/99/540401599.db2.gz UPHKCONDABZNKD-AWEZNQCLSA-N 2 0 289.354 2.695 10 0 CFAERP C[C@H]([NH2+]CC1C2CC3CC(C2)CC1C3)[C@@H]1CC[NH2+]C1 ZINC000422985587 299286845 /nfs/dbraw/zinc/28/68/45/299286845.db2.gz FKAWAFVQCDJRCG-NJFDFINFSA-N 2 0 262.441 2.646 10 0 CFAERP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000180892204 189282027 /nfs/dbraw/zinc/28/20/27/189282027.db2.gz PJRAOTUMQZWAHZ-UKRRQHHQSA-N 2 0 292.423 2.839 10 0 CFAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CC1 ZINC000095090645 375411744 /nfs/dbraw/zinc/41/17/44/375411744.db2.gz LOJCVJUJPDNHRV-ZIAGYGMSSA-N 2 0 258.409 2.895 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC2CCCC2)CC1 ZINC000119183449 376367725 /nfs/dbraw/zinc/36/77/25/376367725.db2.gz AMDYQTBKFWVEDD-HNNXBMFYSA-N 2 0 282.472 2.591 10 0 CFAERP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130157877 377517089 /nfs/dbraw/zinc/51/70/89/377517089.db2.gz KIVWWUVGGLYXMP-INMHGKMJSA-N 2 0 256.393 2.890 10 0 CFAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132490207 377846057 /nfs/dbraw/zinc/84/60/57/377846057.db2.gz PBDDIKMKIPIGMR-OLZOCXBDSA-N 2 0 253.349 2.566 10 0 CFAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)CC1 ZINC000336528009 380417450 /nfs/dbraw/zinc/41/74/50/380417450.db2.gz ZIAWBGZPNOFHNJ-WMZOPIPTSA-N 2 0 293.499 2.665 10 0 CFAERP Cc1oncc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000181712874 380871639 /nfs/dbraw/zinc/87/16/39/380871639.db2.gz BJZGEDPUESKIMA-CQSZACIVSA-N 2 0 286.379 2.620 10 0 CFAERP C[C@H]([NH2+]CCCn1ccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400432517 380858526 /nfs/dbraw/zinc/85/85/26/380858526.db2.gz LMQRWRGWYXBPNL-HOCLYGCPSA-N 2 0 271.408 2.619 10 0 CFAERP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000400493077 380861784 /nfs/dbraw/zinc/86/17/84/380861784.db2.gz ZWNWDJOYUMILCH-CMPLNLGQSA-N 2 0 272.314 2.793 10 0 CFAERP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381129414 382518686 /nfs/dbraw/zinc/51/86/86/382518686.db2.gz IZWKCNYHODWWSX-LALPHHSUSA-N 2 0 250.361 2.803 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)cc(Br)cc1F ZINC000575438574 382771122 /nfs/dbraw/zinc/77/11/22/382771122.db2.gz KWLJDJZLSTWLSO-JTQLQIEISA-N 2 0 293.155 2.856 10 0 CFAERP CN(Cc1cc(Cl)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000226448503 382828824 /nfs/dbraw/zinc/82/88/24/382828824.db2.gz ACAAJMOHRILTFK-LLVKDONJSA-N 2 0 258.818 2.975 10 0 CFAERP CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249414484 383344478 /nfs/dbraw/zinc/34/44/78/383344478.db2.gz VUMNEGCRAFZASS-ZACQAIPSSA-N 2 0 282.472 2.734 10 0 CFAERP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H](C)O3)C2)n1 ZINC000249096060 383326344 /nfs/dbraw/zinc/32/63/44/383326344.db2.gz OQZYLXNSZOCPHC-PMPSAXMXSA-N 2 0 289.423 2.691 10 0 CFAERP CCCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998181 383452951 /nfs/dbraw/zinc/45/29/51/383452951.db2.gz BUSMMPHWWXGIJS-ZFWWWQNUSA-N 2 0 262.397 2.502 10 0 CFAERP CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261572927 383516863 /nfs/dbraw/zinc/51/68/63/383516863.db2.gz MBPQEHJUSWTSJC-CFVMTHIKSA-N 2 0 262.422 2.578 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)C[C@H]12 ZINC000261624314 383531582 /nfs/dbraw/zinc/53/15/82/383531582.db2.gz VCLIHZFMZQPKPM-XLNGHYISSA-N 2 0 256.393 2.733 10 0 CFAERP C[C@H]1CN(Cc2cccc(OC3CCCC3)c2)C[C@H]1[NH3+] ZINC000261938441 383582486 /nfs/dbraw/zinc/58/24/86/383582486.db2.gz DLEOKVXPSWZOFD-SUMWQHHRSA-N 2 0 274.408 2.787 10 0 CFAERP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1C ZINC000261988694 383591283 /nfs/dbraw/zinc/59/12/83/383591283.db2.gz SDRGNNMRUAVHSG-OAHLLOKOSA-N 2 0 262.397 2.578 10 0 CFAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000532511494 384037999 /nfs/dbraw/zinc/03/79/99/384037999.db2.gz TUAODYNKQOOPCZ-JKJDWNRSSA-N 2 0 252.446 2.987 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643458017 384639689 /nfs/dbraw/zinc/63/96/89/384639689.db2.gz NFCPROKXTBFZQA-BFYDXBDKSA-N 2 0 276.424 2.569 10 0 CFAERP C[C@@H]([NH2+]CC(C)(C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643460669 384642806 /nfs/dbraw/zinc/64/28/06/384642806.db2.gz AXEXCSTWAPAPPC-CABCVRRESA-N 2 0 260.425 2.942 10 0 CFAERP Brc1cccc(CC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000313718805 393523239 /nfs/dbraw/zinc/52/32/39/393523239.db2.gz OXJNCJAXMFJXPW-AWEZNQCLSA-N 2 0 297.240 2.723 10 0 CFAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381576503 393564718 /nfs/dbraw/zinc/56/47/18/393564718.db2.gz IQVUQDPNRRFWRO-XQQFMLRXSA-N 2 0 260.372 2.871 10 0 CFAERP C[NH2+]CC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000381754394 393566818 /nfs/dbraw/zinc/56/68/18/393566818.db2.gz WIFHSUQSLHSXMD-ZDUSSCGKSA-N 2 0 260.372 2.743 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400725463 393601759 /nfs/dbraw/zinc/60/17/59/393601759.db2.gz PFUSWSRZPMWFEY-KCQAQPDRSA-N 2 0 262.397 2.734 10 0 CFAERP [NH3+]Cc1cc(F)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694279 134868256 /nfs/dbraw/zinc/86/82/56/134868256.db2.gz LBIGROLJCVJQEE-UHFFFAOYSA-N 2 0 291.414 2.739 10 0 CFAERP C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037220940 543027581 /nfs/dbraw/zinc/02/75/81/543027581.db2.gz HYNUQTQSUJIMRY-CRAIPNDOSA-N 2 0 289.467 2.609 10 0 CFAERP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nc1 ZINC000261763134 292102268 /nfs/dbraw/zinc/10/22/68/292102268.db2.gz RICVROWEOBSFED-AEFFLSMTSA-N 2 0 281.403 2.564 10 0 CFAERP COc1ccccc1[C@H](CCC[NH3+])[NH+]1CCCCC1 ZINC000019674189 170836485 /nfs/dbraw/zinc/83/64/85/170836485.db2.gz UOQBKJIZZFHZQP-HNNXBMFYSA-N 2 0 262.397 2.961 10 0 CFAERP [NH3+]Cc1ccc(C[N@@H+]2CCc3sccc3C2)cc1 ZINC000020072136 170982201 /nfs/dbraw/zinc/98/22/01/170982201.db2.gz KMGLOTOWSSJBER-UHFFFAOYSA-N 2 0 258.390 2.765 10 0 CFAERP C[N@@H+]1CCN(c2ccccc2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000020075839 170984367 /nfs/dbraw/zinc/98/43/67/170984367.db2.gz WWTDIVUKTYUATR-GOSISDBHSA-N 2 0 281.403 2.638 10 0 CFAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128348 171014821 /nfs/dbraw/zinc/01/48/21/171014821.db2.gz MRMPTFGZKCWEEH-SQNIBIBYSA-N 2 0 295.515 2.674 10 0 CFAERP CC(C)[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000020129265 171016984 /nfs/dbraw/zinc/01/69/84/171016984.db2.gz PBHPMBWIGVCCHC-GOSISDBHSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000032026484 171687504 /nfs/dbraw/zinc/68/75/04/171687504.db2.gz LAAJUWPPDVHMJF-UHFFFAOYSA-N 2 0 262.397 2.661 10 0 CFAERP C[N@@H+](Cc1cccs1)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731491 172381530 /nfs/dbraw/zinc/38/15/30/172381530.db2.gz QGGFWPYNELESHM-CQSZACIVSA-N 2 0 260.406 2.922 10 0 CFAERP C[N@@H+](Cc1cccs1)C[C@H](C[NH3+])c1ccccc1 ZINC000035731492 172381811 /nfs/dbraw/zinc/38/18/11/172381811.db2.gz QGGFWPYNELESHM-AWEZNQCLSA-N 2 0 260.406 2.922 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]C(C2CC2)C2CC2)CC1 ZINC000037220967 173039392 /nfs/dbraw/zinc/03/93/92/173039392.db2.gz BNSMQZZDJZXNBV-GFCCVEGCSA-N 2 0 250.430 2.885 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cccs2)C1 ZINC000037221151 173040435 /nfs/dbraw/zinc/04/04/35/173040435.db2.gz CFTDONRFUZADAJ-OLZOCXBDSA-N 2 0 252.427 2.958 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)CC1 ZINC000038028861 174018211 /nfs/dbraw/zinc/01/82/11/174018211.db2.gz FEKDDEAPCQPNIG-IRXDYDNUSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC[C@H]2CCCO2)CC1 ZINC000038096076 174110178 /nfs/dbraw/zinc/11/01/78/174110178.db2.gz ZRBIXXMCJLHJNG-GOEBONIOSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OCCC[NH+](C)C)cc1 ZINC000040240395 174212750 /nfs/dbraw/zinc/21/27/50/174212750.db2.gz XRSRUZADMKRZPC-ZDUSSCGKSA-N 2 0 250.386 2.688 10 0 CFAERP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000040593395 174347665 /nfs/dbraw/zinc/34/76/65/174347665.db2.gz RVZOWRGSBZGWTD-AWEZNQCLSA-N 2 0 271.408 2.908 10 0 CFAERP CCOC1CC[NH+]([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000040689330 174376485 /nfs/dbraw/zinc/37/64/85/174376485.db2.gz KKIQFNRJKOKVEY-GJZGRUSLSA-N 2 0 254.418 2.537 10 0 CFAERP [NH3+]Cc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000040693607 174377226 /nfs/dbraw/zinc/37/72/26/174377226.db2.gz UBVPIZPRWCZVEV-UHFFFAOYSA-N 2 0 287.451 2.596 10 0 CFAERP CC[N@H+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748138 174393088 /nfs/dbraw/zinc/39/30/88/174393088.db2.gz ZSNZKTKTXKCITC-SJPCQFCGSA-N 2 0 288.435 2.843 10 0 CFAERP CC(C)[NH+](CCn1ccc2c1CCC[C@@H]2[NH3+])C(C)C ZINC000041727921 174619149 /nfs/dbraw/zinc/61/91/49/174619149.db2.gz KXEMJNIMSFACED-HNNXBMFYSA-N 2 0 263.429 2.943 10 0 CFAERP Cc1ccc([C@@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)cc1C ZINC000042391954 174706653 /nfs/dbraw/zinc/70/66/53/174706653.db2.gz YNACTUOTKHZEDP-GOSISDBHSA-N 2 0 289.467 2.577 10 0 CFAERP CC[C@@H](C(=O)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042395351 174708780 /nfs/dbraw/zinc/70/87/80/174708780.db2.gz RRWCGVSSFKBAKZ-KRWDZBQOSA-N 2 0 288.435 2.922 10 0 CFAERP Cc1ccc([C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C)cc1 ZINC000042744816 174864324 /nfs/dbraw/zinc/86/43/24/174864324.db2.gz DITZTGWGGLQYHO-KRWDZBQOSA-N 2 0 277.456 2.514 10 0 CFAERP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC([NH+](C)C)CC1 ZINC000043014631 174941910 /nfs/dbraw/zinc/94/19/10/174941910.db2.gz FPOUPEKJGXBBTF-BLLLJJGKSA-N 2 0 295.858 2.754 10 0 CFAERP Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000043037569 174951998 /nfs/dbraw/zinc/95/19/98/174951998.db2.gz KILZJWZACTYTJE-AEFFLSMTSA-N 2 0 291.483 2.903 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)C1CC[NH+](C)CC1 ZINC000043102548 174967970 /nfs/dbraw/zinc/96/79/70/174967970.db2.gz JTMLSSDDNZTOOR-ZFWWWQNUSA-N 2 0 281.469 2.553 10 0 CFAERP Cc1cccc([C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C)c1C ZINC000043315062 175004367 /nfs/dbraw/zinc/00/43/67/175004367.db2.gz PWTPFGUISAIHNV-GOSISDBHSA-N 2 0 291.483 2.823 10 0 CFAERP Cc1cccc([C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C)c1C ZINC000043315064 175004918 /nfs/dbraw/zinc/00/49/18/175004918.db2.gz PWTPFGUISAIHNV-SFHVURJKSA-N 2 0 291.483 2.823 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CC[NH+](C)C)CC(C)C ZINC000043365383 175026152 /nfs/dbraw/zinc/02/61/52/175026152.db2.gz AWBACATXOPGWDC-WBVHZDCISA-N 2 0 295.471 2.886 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CC[NH+](C)C)CC(C)C ZINC000043365382 175026547 /nfs/dbraw/zinc/02/65/47/175026547.db2.gz AWBACATXOPGWDC-RDJZCZTQSA-N 2 0 295.471 2.886 10 0 CFAERP CC(C)C[N@H+](CCCc1ccccc1)CCC(N)=[NH2+] ZINC000043422996 175039303 /nfs/dbraw/zinc/03/93/03/175039303.db2.gz WMFNSLQPFZGNST-UHFFFAOYSA-N 2 0 261.413 2.903 10 0 CFAERP CCC1CCC(C[NH3+])(N2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000043424623 175040228 /nfs/dbraw/zinc/04/02/28/175040228.db2.gz UVHDTMUJILTVOW-PYBGIAKNSA-N 2 0 266.429 2.537 10 0 CFAERP C[C@@H](C[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043534556 175062672 /nfs/dbraw/zinc/06/26/72/175062672.db2.gz RALPOHMFIZQUJD-YJBOKZPZSA-N 2 0 289.467 2.534 10 0 CFAERP C[N@H+](CCC[C@@H]1CCC[NH2+]C1)Cc1ccsc1 ZINC000043591878 175073753 /nfs/dbraw/zinc/07/37/53/175073753.db2.gz PVZFYSCXOQYMTK-ZDUSSCGKSA-N 2 0 252.427 2.960 10 0 CFAERP C(C[C@@H]1CCC[NH2+]C1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000043591964 175074334 /nfs/dbraw/zinc/07/43/34/175074334.db2.gz KBBLFAIXBYANES-KRWDZBQOSA-N 3 0 293.499 2.717 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N1CC[NH+](CCC)CC1 ZINC000043805657 175107899 /nfs/dbraw/zinc/10/78/99/175107899.db2.gz FGQISNUTRYRHEB-IAGOWNOFSA-N 2 0 283.504 2.961 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CC[NH+](CC)CC1 ZINC000043806233 175108141 /nfs/dbraw/zinc/10/81/41/175108141.db2.gz GFEFLCMVKAZMAP-JKSUJKDBSA-N 2 0 269.477 2.571 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1cc(C)ccc1C ZINC000043806059 175108370 /nfs/dbraw/zinc/10/83/70/175108370.db2.gz MPBYRJHUHWTODV-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCc1ccc([C@@H]([NH2+]C)[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000043805930 175108391 /nfs/dbraw/zinc/10/83/91/175108391.db2.gz PUVXEEFTMIYPMU-YJBOKZPZSA-N 2 0 289.467 2.536 10 0 CFAERP CCC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043811025 175110225 /nfs/dbraw/zinc/11/02/25/175110225.db2.gz GUSXGEWZSFXLSW-AEFFLSMTSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC000043810857 175110338 /nfs/dbraw/zinc/11/03/38/175110338.db2.gz OYOVLZUOVHMLOJ-SFHVURJKSA-N 2 0 289.467 2.708 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[NH+]1CCCCCC1)OCCO2 ZINC000043812303 175110780 /nfs/dbraw/zinc/11/07/80/175110780.db2.gz WRCTZFUIMRJMOP-CVEARBPZSA-N 2 0 296.455 2.526 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCCCCC1)OCCO2 ZINC000043812304 175111083 /nfs/dbraw/zinc/11/10/83/175111083.db2.gz WRCTZFUIMRJMOP-HOTGVXAUSA-N 2 0 296.455 2.526 10 0 CFAERP CCc1ccc([C@@H](CN(C)C2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043815246 175111801 /nfs/dbraw/zinc/11/18/01/175111801.db2.gz ATNNUOOBUKZMDD-GOSISDBHSA-N 2 0 289.467 2.536 10 0 CFAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000043815226 175111926 /nfs/dbraw/zinc/11/19/26/175111926.db2.gz PYXBIPVFIOBXRP-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815410 175112254 /nfs/dbraw/zinc/11/22/54/175112254.db2.gz QOXMTMQDNDIFKM-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000043815295 175112653 /nfs/dbraw/zinc/11/26/53/175112653.db2.gz CGMXXAWARNBSIY-SFHVURJKSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1cc(C)ccc1C ZINC000043818401 175112746 /nfs/dbraw/zinc/11/27/46/175112746.db2.gz BKVVARVTBTXTFQ-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1C ZINC000043818399 175112836 /nfs/dbraw/zinc/11/28/36/175112836.db2.gz XDMKZEGDLGSJAJ-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCc1ccc([C@H]([NH2+]C)[C@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000043818263 175112962 /nfs/dbraw/zinc/11/29/62/175112962.db2.gz NCKUOYTWEXJKFW-MAUKXSAKSA-N 2 0 289.467 2.536 10 0 CFAERP CC[N@H+](Cc1cc([C@@H](C)[NH2+]C)ccc1OC)C1CC1 ZINC000043821576 175114367 /nfs/dbraw/zinc/11/43/67/175114367.db2.gz RVOMFDSKKNZSGW-GFCCVEGCSA-N 2 0 262.397 2.960 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897544 175120383 /nfs/dbraw/zinc/12/03/83/175120383.db2.gz BJXWQHCKJKAJDT-SZMVWBNQSA-N 2 0 295.515 2.959 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897466 175120480 /nfs/dbraw/zinc/12/04/80/175120480.db2.gz PFUXOYPQPRIAPW-JKSUJKDBSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897437 175120509 /nfs/dbraw/zinc/12/05/09/175120509.db2.gz KDGDWSSUNMLANS-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@H]1CCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907699 175123283 /nfs/dbraw/zinc/12/32/83/175123283.db2.gz DGFVVLYPPAWLBV-ZWKOTPCHSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907898 175123301 /nfs/dbraw/zinc/12/33/01/175123301.db2.gz AEDCBFXVCSYXTB-MSOLQXFVSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965515 175127303 /nfs/dbraw/zinc/12/73/03/175127303.db2.gz TZUPEEUXIWZWCI-GJZGRUSLSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982194 175134127 /nfs/dbraw/zinc/13/41/27/175134127.db2.gz NZZXZFPQGILEQN-DLBZAZTESA-N 2 0 283.504 2.817 10 0 CFAERP C[C@@H](C[NH+]1CCCCC1)n1c(N)[nH+]c2ccccc21 ZINC000044388141 175170008 /nfs/dbraw/zinc/17/00/08/175170008.db2.gz JMDJMIKMQAXAMN-LBPRGKRZSA-N 2 0 258.369 2.665 10 0 CFAERP [NH3+]C[C@H]1CCC[N@@H+]([C@H](c2cccs2)C2CC2)C1 ZINC000044528084 175192515 /nfs/dbraw/zinc/19/25/15/175192515.db2.gz DIVCPDQHYCTOMJ-RISCZKNCSA-N 2 0 250.411 2.870 10 0 CFAERP CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044536503 175199112 /nfs/dbraw/zinc/19/91/12/175199112.db2.gz QSNQYEUHNKJOPL-MAUKXSAKSA-N 2 0 290.451 2.775 10 0 CFAERP Cc1ncc(C[NH2+]CCCC[N@@H+](C)C(C)C)s1 ZINC000044573076 175210173 /nfs/dbraw/zinc/21/01/73/175210173.db2.gz AVHIEFUJEPMTQP-UHFFFAOYSA-N 2 0 255.431 2.662 10 0 CFAERP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660203 175226201 /nfs/dbraw/zinc/22/62/01/175226201.db2.gz TXNXWEURABEIBW-MUIFIZLQSA-N 2 0 258.409 2.862 10 0 CFAERP C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000044674989 175227044 /nfs/dbraw/zinc/22/70/44/175227044.db2.gz LXUZNJFNPLJZEV-XKQJLSEDSA-N 2 0 258.409 2.862 10 0 CFAERP CC[NH+](CC)CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745052 175241509 /nfs/dbraw/zinc/24/15/09/175241509.db2.gz ZJPGNPSITRKLAN-MRXNPFEDSA-N 2 0 262.397 2.743 10 0 CFAERP CC(C)CCOCC[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000045109370 175309577 /nfs/dbraw/zinc/30/95/77/175309577.db2.gz TUIXWTONWQYMBC-HUUCEWRRSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH2+][C@](C)(CCCC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045372333 175365072 /nfs/dbraw/zinc/36/50/72/175365072.db2.gz ZHBRIOFVXHLULM-QGZVFWFLSA-N 2 0 297.487 2.665 10 0 CFAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)C1CCCCC1 ZINC000045379063 175368265 /nfs/dbraw/zinc/36/82/65/175368265.db2.gz GXIVMVRLRRSILG-MRXNPFEDSA-N 2 0 284.444 2.702 10 0 CFAERP CCCCC[N@H+](C)CCCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045388012 175374275 /nfs/dbraw/zinc/37/42/75/175374275.db2.gz MSPWSACHXLMKFT-MRXNPFEDSA-N 2 0 285.476 2.522 10 0 CFAERP [NH3+][C@H](c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000071616035 176234844 /nfs/dbraw/zinc/23/48/44/176234844.db2.gz VCJMLDZVJKVBSH-JTQLQIEISA-N 2 0 275.215 2.510 10 0 CFAERP [NH3+][C@@H](c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000071616034 176235131 /nfs/dbraw/zinc/23/51/31/176235131.db2.gz VCJMLDZVJKVBSH-SNVBAGLBSA-N 2 0 275.215 2.510 10 0 CFAERP CC1(C)CC[N@H+](Cc2ccccc2)[C@H]2CC[NH2+]C[C@@H]21 ZINC000076697693 177060761 /nfs/dbraw/zinc/06/07/61/177060761.db2.gz WEOUOCZEZPJAKT-HOTGVXAUSA-N 2 0 258.409 2.897 10 0 CFAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)COCc1ccccc1 ZINC000390555055 262216479 /nfs/dbraw/zinc/21/64/79/262216479.db2.gz GNCNAHYDQHMQHJ-GJZGRUSLSA-N 2 0 264.413 2.699 10 0 CFAERP CC(C)(CC[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000258876164 270274988 /nfs/dbraw/zinc/27/49/88/270274988.db2.gz POTGLSNIWVBWDC-UHFFFAOYSA-N 2 0 271.202 2.666 10 0 CFAERP CCCCOc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000398325185 270322073 /nfs/dbraw/zinc/32/20/73/270322073.db2.gz FDRKKRJKRGTDRC-HNNXBMFYSA-N 2 0 262.397 2.565 10 0 CFAERP C1C[C@H]2CC([NH2+]C3C4CC5CC(C4)CC3C5)C[C@@H]1[NH2+]2 ZINC000422931404 270332412 /nfs/dbraw/zinc/33/24/12/270332412.db2.gz XPXJBZLMVBUUAZ-KLQAGBSFSA-N 2 0 260.425 2.684 10 0 CFAERP CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249311154 281291135 /nfs/dbraw/zinc/29/11/35/281291135.db2.gz DUHMTXYTFCHRNE-IRXDYDNUSA-N 2 0 282.472 2.735 10 0 CFAERP Cc1cc(F)ccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000560966645 282044717 /nfs/dbraw/zinc/04/47/17/282044717.db2.gz CLWMFGYZAIJRLQ-UKRRQHHQSA-N 2 0 264.388 2.654 10 0 CFAERP C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CCC[NH2+]C1 ZINC000575859732 322732040 /nfs/dbraw/zinc/73/20/40/322732040.db2.gz DLSATJIWAZYTOQ-AAEUAGOBSA-N 2 0 260.372 2.790 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000580999306 325081374 /nfs/dbraw/zinc/08/13/74/325081374.db2.gz NRMRPMVGIPGNKQ-QWRGUYRKSA-N 2 0 272.845 2.922 10 0 CFAERP CC(C)C[NH2+]C[C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000052419089 519744566 /nfs/dbraw/zinc/74/45/66/519744566.db2.gz SWEIXJXBMDYZMS-OAHLLOKOSA-N 2 0 260.425 2.926 10 0 CFAERP CCC[NH2+]CC1(C[NH+](CCC)CCC)CCOCC1 ZINC000052180904 519909306 /nfs/dbraw/zinc/90/93/06/519909306.db2.gz NFFUSORDWSSRAF-UHFFFAOYSA-N 2 0 270.461 2.905 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@@H](C)CC)CCOCC1 ZINC000052181178 519910128 /nfs/dbraw/zinc/91/01/28/519910128.db2.gz JGXJSEDMMZSDHD-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197812 519912505 /nfs/dbraw/zinc/91/25/05/519912505.db2.gz SSLDLDXLXRXLCB-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)CC(C)C)O1 ZINC000052449899 519935603 /nfs/dbraw/zinc/93/56/03/519935603.db2.gz HLZXKNBODYIDHG-CABCVRRESA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+](CC(C)C)CC(C)C)O1 ZINC000052485035 519950362 /nfs/dbraw/zinc/95/03/62/519950362.db2.gz VCWTZFCFBDTMJK-HOTGVXAUSA-N 2 0 270.461 2.758 10 0 CFAERP CC[NH2+]Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049331790 519999619 /nfs/dbraw/zinc/99/96/19/519999619.db2.gz BHXIKMVQTOAHQQ-UHFFFAOYSA-N 2 0 262.397 2.661 10 0 CFAERP CCCC[N@H+](CC)Cc1cc(C[NH2+]CCC)no1 ZINC000052418756 520478110 /nfs/dbraw/zinc/47/81/10/520478110.db2.gz PMQXWQHYGIADHR-UHFFFAOYSA-N 2 0 253.390 2.796 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C(C)(C)CC ZINC000069443413 521153289 /nfs/dbraw/zinc/15/32/89/521153289.db2.gz UTULPNJARIHZIB-HNNXBMFYSA-N 2 0 272.433 2.558 10 0 CFAERP C[NH2+]Cc1nc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)cs1 ZINC000052546476 522152992 /nfs/dbraw/zinc/15/29/92/522152992.db2.gz AJWYWNFHXNWSLE-AAEUAGOBSA-N 2 0 267.442 2.873 10 0 CFAERP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414825292 534409549 /nfs/dbraw/zinc/40/95/49/534409549.db2.gz HAZASBWMNRCWRE-UCEQBCCISA-N 2 0 276.346 2.980 10 0 CFAERP CC(C)C[C@H]1CSC(N[C@H](C)C[NH+]2CCCCC2)=[NH+]1 ZINC000049502363 519417097 /nfs/dbraw/zinc/41/70/97/519417097.db2.gz FQIBQBRLBSLWKF-KGLIPLIRSA-N 2 0 283.485 2.968 10 0 CFAERP CC(C)[NH+]1CCN(c2ncccc2C[NH2+]C(C)(C)C)CC1 ZINC000051446060 519684500 /nfs/dbraw/zinc/68/45/00/519684500.db2.gz KIUCUYRCOQAGCD-UHFFFAOYSA-N 2 0 290.455 2.500 10 0 CFAERP CC(C)[NH2+]C[C@H](OCC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000052672821 519724794 /nfs/dbraw/zinc/72/47/94/519724794.db2.gz LPVWBHGSRYAFSY-CABCVRRESA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416599 519725642 /nfs/dbraw/zinc/72/56/42/519725642.db2.gz WQZJDDMFHOTRLO-HUUCEWRRSA-N 2 0 294.464 2.652 10 0 CFAERP CC(C)C[NH2+]CC1(CN2CCC([NH+](C)C)CC2)CCCC1 ZINC000051217164 519742839 /nfs/dbraw/zinc/74/28/39/519742839.db2.gz YJADEEFLDSXCGZ-UHFFFAOYSA-N 2 0 295.515 2.818 10 0 CFAERP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000052424020 519744242 /nfs/dbraw/zinc/74/42/42/519744242.db2.gz AUJRVZCNLDQMMY-HNNXBMFYSA-N 2 0 263.429 2.580 10 0 CFAERP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000052419090 519745653 /nfs/dbraw/zinc/74/56/53/519745653.db2.gz SWEIXJXBMDYZMS-HNNXBMFYSA-N 2 0 260.425 2.926 10 0 CFAERP CC(C)C[NH2+]Cc1cccc(CN2CCC[N@H+](C)CC2)c1 ZINC000052424165 519747443 /nfs/dbraw/zinc/74/74/43/519747443.db2.gz PLXLVRIXWDDGBV-UHFFFAOYSA-N 2 0 289.467 2.570 10 0 CFAERP CC(C)C[C@@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197677 519772650 /nfs/dbraw/zinc/77/26/50/519772650.db2.gz WDSHZUOAYCYPMP-OAHLLOKOSA-N 2 0 282.472 2.902 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](CN(C)C)C(C)C)CC1 ZINC000049197589 519847668 /nfs/dbraw/zinc/84/76/68/519847668.db2.gz POQDELDQSMSMGQ-DOTOQJQBSA-N 2 0 283.504 2.673 10 0 CFAERP CCCC1CC[NH+](C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000050893185 519902150 /nfs/dbraw/zinc/90/21/50/519902150.db2.gz AUCNENOXDQOFPZ-KRWDZBQOSA-N 2 0 276.424 2.691 10 0 CFAERP CCC[NH2+]CC(CC)(CC)CN(C)C1CC[NH+](C)CC1 ZINC000051213348 519908540 /nfs/dbraw/zinc/90/85/40/519908540.db2.gz VCIORWMXNOXSBN-UHFFFAOYSA-N 2 0 283.504 2.818 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181737 519909995 /nfs/dbraw/zinc/90/99/95/519909995.db2.gz YZEOVXKIVNPTQY-HNNXBMFYSA-N 2 0 270.461 2.759 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182066 519910930 /nfs/dbraw/zinc/91/09/30/519910930.db2.gz FKYYBVOETUKJRK-HOTGVXAUSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[NH2+]CCCC[N@H+](CCOC)[C@H](C)C1CC1 ZINC000052545268 519912397 /nfs/dbraw/zinc/91/23/97/519912397.db2.gz YNIGLJQKOILNKK-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197663 519912803 /nfs/dbraw/zinc/91/28/03/519912803.db2.gz ZIMZSKJPUDOISM-OAHLLOKOSA-N 2 0 270.461 2.759 10 0 CFAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507526 519913212 /nfs/dbraw/zinc/91/32/12/519913212.db2.gz YPKUDLABHJBTDT-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+]C[C@@](C)(CCC)C[NH+]1CCC(OC)CC1 ZINC000051216220 519929963 /nfs/dbraw/zinc/92/99/63/519929963.db2.gz LQOMNGKUAOFDEZ-MRXNPFEDSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+]Cc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000052380255 519954542 /nfs/dbraw/zinc/95/45/42/519954542.db2.gz VUVVKFQHEGKORB-HUUCEWRRSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+]Cc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000052380257 519954719 /nfs/dbraw/zinc/95/47/19/519954719.db2.gz VUVVKFQHEGKORB-GJZGRUSLSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+]Cc1cccc(C[N@H+](C)[C@H](C)COC)c1 ZINC000052511409 519954906 /nfs/dbraw/zinc/95/49/06/519954906.db2.gz MSUHZDNMPBAFAO-CQSZACIVSA-N 2 0 264.413 2.653 10 0 CFAERP CCC[NH2+]Cc1ccccc1CN1CC[NH+](CCC)CC1 ZINC000052422079 519956086 /nfs/dbraw/zinc/95/60/86/519956086.db2.gz MUOOCPSXELINJL-UHFFFAOYSA-N 2 0 289.467 2.714 10 0 CFAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCCSCC1 ZINC000052371029 519959434 /nfs/dbraw/zinc/95/94/34/519959434.db2.gz MQUHROJEJBXXIC-UHFFFAOYSA-N 2 0 268.426 2.718 10 0 CFAERP CC[NH2+]Cc1ccccc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453644 520006463 /nfs/dbraw/zinc/00/64/63/520006463.db2.gz JIAFABPNPMJMNE-OAHLLOKOSA-N 2 0 264.438 2.733 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000052381357 520009363 /nfs/dbraw/zinc/00/93/63/520009363.db2.gz RCRBFWTVDVPXDL-HNNXBMFYSA-N 2 0 276.424 2.907 10 0 CFAERP CC[NH2+][C@@H](C)CCCC[NH+]1CCC(OCC)CC1 ZINC000045600971 520070861 /nfs/dbraw/zinc/07/08/61/520070861.db2.gz PNYZUUURZWULIO-AWEZNQCLSA-N 2 0 256.434 2.656 10 0 CFAERP CC1(C)C[N@H+](Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052481832 520471320 /nfs/dbraw/zinc/47/13/20/520471320.db2.gz PFWVRBGOKNMOCA-UHFFFAOYSA-N 2 0 290.432 2.971 10 0 CFAERP CCCC[NH+](CCCC)C[C@@H]1CC[C@H](C[NH2+]C)O1 ZINC000052443626 520495943 /nfs/dbraw/zinc/49/59/43/520495943.db2.gz WSBGYWNCUMHIOH-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH+](CC)CCc1ncc2c(n1)CC(C)(C)C[C@@H]2[NH2+]C ZINC000050101098 520713098 /nfs/dbraw/zinc/71/30/98/520713098.db2.gz YGZBHVNDNHTZIB-AWEZNQCLSA-N 2 0 290.455 2.594 10 0 CFAERP CC[NH+](CC)[C@H]1CCN([C@@H](C)CC[NH2+]C(C)(C)C)C1 ZINC000062972188 520874374 /nfs/dbraw/zinc/87/43/74/520874374.db2.gz INAXHOQSJCSBPE-GJZGRUSLSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)CCCOC ZINC000062035277 520908417 /nfs/dbraw/zinc/90/84/17/520908417.db2.gz FQCNKWAQAPVJMT-HNNXBMFYSA-N 2 0 258.450 2.759 10 0 CFAERP CC[N@H+](CC1CC1)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000069239990 520957162 /nfs/dbraw/zinc/95/71/62/520957162.db2.gz KWWPFRWLWPAESL-QGZVFWFLSA-N 2 0 282.472 2.903 10 0 CFAERP CC[N@H+](CC1CC1)C[C@@](C)(C[NH2+]C)c1ccccc1 ZINC000069239876 520957776 /nfs/dbraw/zinc/95/77/76/520957776.db2.gz YWSCKIAKUYAFIC-QGZVFWFLSA-N 2 0 260.425 2.896 10 0 CFAERP CCCC[C@](CC)(C[NH3+])[N@@H+]1CCC[C@H](OCC)C1 ZINC000069380391 521252822 /nfs/dbraw/zinc/25/28/22/521252822.db2.gz WVXNTRNZFSXJHR-LSDHHAIUSA-N 2 0 256.434 2.785 10 0 CFAERP CC[NH+]1CCN(Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052422294 521688908 /nfs/dbraw/zinc/68/89/08/521688908.db2.gz NQZRNDZGYMUPFW-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP CCc1ccccc1[C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000052203867 521953332 /nfs/dbraw/zinc/95/33/32/521953332.db2.gz AUXBSGVLEJWBFL-SFHVURJKSA-N 2 0 291.483 2.768 10 0 CFAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182011 521968876 /nfs/dbraw/zinc/96/88/76/521968876.db2.gz YGVZVJHNCRRQJQ-CVEARBPZSA-N 2 0 280.456 2.657 10 0 CFAERP C[NH2+]CC1(C[N@H+](Cc2ccccc2)C(C)C)CCOCC1 ZINC000052180947 521969824 /nfs/dbraw/zinc/96/98/24/521969824.db2.gz YOBMUZZRDKZIJB-UHFFFAOYSA-N 2 0 290.451 2.913 10 0 CFAERP CC[C@@H](C)[N@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181384 522083066 /nfs/dbraw/zinc/08/30/66/522083066.db2.gz BCDGJZVWMATTNH-OAHLLOKOSA-N 2 0 270.461 2.902 10 0 CFAERP CC[C@@H](C)[N@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052451149 522086877 /nfs/dbraw/zinc/08/68/77/522086877.db2.gz HFHRKDKTQFHOHT-GFCCVEGCSA-N 2 0 253.390 2.793 10 0 CFAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C(C)(C)C)CC2)O1 ZINC000052373669 522092660 /nfs/dbraw/zinc/09/26/60/522092660.db2.gz KKLJZNSKIRZVCN-CABCVRRESA-N 2 0 268.445 2.512 10 0 CFAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C(C)(C)C)CC2)O1 ZINC000052373670 522096046 /nfs/dbraw/zinc/09/60/46/522096046.db2.gz KKLJZNSKIRZVCN-HUUCEWRRSA-N 2 0 268.445 2.512 10 0 CFAERP C[NH2+]Cc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000052378824 522121926 /nfs/dbraw/zinc/12/19/26/522121926.db2.gz XHWJONCFJKFJHT-CQSZACIVSA-N 2 0 262.397 2.659 10 0 CFAERP CC[C@H](CC[NH3+])N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000049256679 522127494 /nfs/dbraw/zinc/12/74/94/522127494.db2.gz DRZJZCYXAFQYIG-GOSISDBHSA-N 2 0 289.467 2.548 10 0 CFAERP C[NH2+]Cc1cccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000052420699 522133559 /nfs/dbraw/zinc/13/35/59/522133559.db2.gz QKKLWUHSLFGXBJ-HUUCEWRRSA-N 2 0 276.424 2.763 10 0 CFAERP C[NH2+]Cc1nc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cs1 ZINC000052372985 522152301 /nfs/dbraw/zinc/15/23/01/522152301.db2.gz VETCSQJTLUTING-CQSZACIVSA-N 2 0 287.432 2.852 10 0 CFAERP CC[C@H]([NH3+])Cc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049334170 522335319 /nfs/dbraw/zinc/33/53/19/522335319.db2.gz ORUCXSPHXCZLCX-INIZCTEOSA-N 2 0 276.424 2.831 10 0 CFAERP CC[C@@H](C[NH2+]C(C)(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503284 522543575 /nfs/dbraw/zinc/54/35/75/522543575.db2.gz OCYDWHAPVXEQPF-HNNXBMFYSA-N 2 0 271.493 2.673 10 0 CFAERP C[N@H+](CC(C)(C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197545 522547666 /nfs/dbraw/zinc/54/76/66/522547666.db2.gz UNJFCRNDSDWHGP-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP C[N@H+](CCSc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000231668560 522926131 /nfs/dbraw/zinc/92/61/31/522926131.db2.gz RDYHRIXFNJZBLN-CQSZACIVSA-N 2 0 264.438 2.853 10 0 CFAERP C[N@H+](C[C@@H]1CCCCO1)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016558 523033877 /nfs/dbraw/zinc/03/38/77/523033877.db2.gz HGKSCLSKROOFGJ-HOTGVXAUSA-N 2 0 262.397 2.577 10 0 CFAERP CC[C@H]1CCC[N@H+](Cc2cc(C[NH2+]C)c(C)o2)C1 ZINC000052479690 523091322 /nfs/dbraw/zinc/09/13/22/523091322.db2.gz QXSQNWZMASPSCL-ZDUSSCGKSA-N 2 0 250.386 2.929 10 0 CFAERP CC[C@H]1CCC[N@@H+]1CCOc1cccc(C[NH2+]C)c1 ZINC000052375120 523107494 /nfs/dbraw/zinc/10/74/94/523107494.db2.gz RBZXIWRVHBWITC-HNNXBMFYSA-N 2 0 262.397 2.659 10 0 CFAERP CC[C@H](C)[N@H+](CC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181389 523933814 /nfs/dbraw/zinc/93/38/14/523933814.db2.gz YGOBMUMDNJDKKG-AWEZNQCLSA-N 2 0 268.445 2.656 10 0 CFAERP C[C@H]1CC[N@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052182197 524288015 /nfs/dbraw/zinc/28/80/15/524288015.db2.gz VSILNEAGAMXRTG-AWEZNQCLSA-N 2 0 268.445 2.513 10 0 CFAERP COc1ccccc1C1CC([NH2+]CCCC[NH+](C)C)C1 ZINC000045663901 524376391 /nfs/dbraw/zinc/37/63/91/524376391.db2.gz CKIWDVHZIPZZTN-UHFFFAOYSA-N 2 0 276.424 2.873 10 0 CFAERP Cc1ccc(C[N@H+](C)CCC[C@@H]2CCCC[NH2+]2)o1 ZINC000050952630 524392144 /nfs/dbraw/zinc/39/21/44/524392144.db2.gz JHLIAGRZPANCEB-AWEZNQCLSA-N 2 0 250.386 2.942 10 0 CFAERP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380703 524457287 /nfs/dbraw/zinc/45/72/87/524457287.db2.gz KHHAAOZEWNMNMM-IHRRRGAJSA-N 2 0 256.434 2.652 10 0 CFAERP C[C@@H](CCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000052419145 524459633 /nfs/dbraw/zinc/45/96/33/524459633.db2.gz MMOFMBRHQHHECV-AWEZNQCLSA-N 2 0 258.409 2.965 10 0 CFAERP C[C@H](C[NH2+]C1CC1)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346141 524479459 /nfs/dbraw/zinc/47/94/59/524479459.db2.gz PHTBHVVVTHPODO-GFCCVEGCSA-N 2 0 250.361 2.646 10 0 CFAERP C[C@H]1C[NH+](CCCCC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380749 524590257 /nfs/dbraw/zinc/59/02/57/524590257.db2.gz XRYWXYKXQFCXKX-KBPBESRZSA-N 2 0 256.434 2.654 10 0 CFAERP Cc1cc(C[N@@H+](C)Cc2ccc(C)cc2)oc1C[NH3+] ZINC000052424664 524663107 /nfs/dbraw/zinc/66/31/07/524663107.db2.gz YECUYUMQJUBGRG-UHFFFAOYSA-N 2 0 258.365 2.987 10 0 CFAERP C[C@H]([NH3+])[C@H]1CCCCN1c1cc[nH+]c2ccccc21 ZINC000063196526 524857395 /nfs/dbraw/zinc/85/73/95/524857395.db2.gz PWFVGKRXTOPLLV-SWLSCSKDSA-N 2 0 255.365 2.941 10 0 CFAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000050578882 525007693 /nfs/dbraw/zinc/00/76/93/525007693.db2.gz OEZKIBNLFACWNI-INIZCTEOSA-N 2 0 293.430 2.550 10 0 CFAERP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380896 525015633 /nfs/dbraw/zinc/01/56/33/525015633.db2.gz GOKPAMCOSGRJID-OKILXGFUSA-N 2 0 274.408 2.548 10 0 CFAERP C[C@@H]([NH3+])c1ccc(OC2CC[NH+](C)CC2)c(Cl)c1 ZINC000061699686 525027978 /nfs/dbraw/zinc/02/79/78/525027978.db2.gz ZSYAVPLGGRULDS-SNVBAGLBSA-N 2 0 268.788 2.833 10 0 CFAERP C[C@@H]1C[C@@H](C)C[NH+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180563 525208835 /nfs/dbraw/zinc/20/88/35/525208835.db2.gz QKRFYLZIPWMPMY-HUUCEWRRSA-N 2 0 280.456 2.513 10 0 CFAERP Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491346 525498908 /nfs/dbraw/zinc/49/89/08/525498908.db2.gz MFJSYDQAUJHXBF-YESZJQIVSA-N 2 0 290.455 2.551 10 0 CFAERP Cc1nc(C)c([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000054629418 526750468 /nfs/dbraw/zinc/75/04/68/526750468.db2.gz GUVNCYCHVDJZIH-SMHCIBLRSA-N 2 0 265.426 2.775 10 0 CFAERP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+](C)CC1CC1 ZINC000052483703 526774225 /nfs/dbraw/zinc/77/42/25/526774225.db2.gz AQAFQEWGADNJEL-UHFFFAOYSA-N 2 0 250.386 2.928 10 0 CFAERP [NH3+]CCC[N@H+](CCCOCC(F)(F)F)C1CCCCC1 ZINC000049312081 527178539 /nfs/dbraw/zinc/17/85/39/527178539.db2.gz JEVAYPUMMFQVRC-UHFFFAOYSA-N 2 0 296.377 2.939 10 0 CFAERP CC[C@H](C[NH2+]C1CCC([NH3+])CC1)CC(F)(F)F ZINC000402601049 529360586 /nfs/dbraw/zinc/36/05/86/529360586.db2.gz NPWYRWFRGSOWSQ-WHXUTIOJSA-N 2 0 252.324 2.825 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cc(F)ccc1F ZINC000089148266 620406163 /nfs/dbraw/zinc/40/61/63/620406163.db2.gz FELINMMEVDMZOR-IMSIIYSGSA-N 2 0 254.324 2.743 10 0 CFAERP C[NH+](C)Cc1ccc(-c2ccc(CC[NH3+])cc2)cc1 ZINC000033427947 624394583 /nfs/dbraw/zinc/39/45/83/624394583.db2.gz RAVSAFDCOVSOEI-UHFFFAOYSA-N 2 0 254.377 2.916 10 0 CFAERP C[C@H]([NH3+])C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000111612492 635116074 /nfs/dbraw/zinc/11/60/74/635116074.db2.gz FSLFZVFYURABFR-LBPRGKRZSA-N 2 0 255.365 2.798 10 0 CFAERP C[NH+](C)C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127759158 187330890 /nfs/dbraw/zinc/33/08/90/187330890.db2.gz TYHVGNFLVJRTEK-KURKYZTESA-N 2 0 287.451 2.506 10 0 CFAERP CC[C@H]1C[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096950598 185138380 /nfs/dbraw/zinc/13/83/80/185138380.db2.gz MPQASSNXMCMUHT-INIZCTEOSA-N 2 0 258.409 2.898 10 0 CFAERP C[N@H+](CCC[NH2+][C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000226226519 539446583 /nfs/dbraw/zinc/44/65/83/539446583.db2.gz BHTJLPDSXZFBLP-HZPDHXFCSA-N 2 0 268.445 2.534 10 0 CFAERP [NH3+]CCCC[NH+]1CCN(c2cccc3ccccc32)CC1 ZINC000038242223 346337624 /nfs/dbraw/zinc/33/76/24/346337624.db2.gz IZXGUTPRNKITPR-UHFFFAOYSA-N 2 0 283.419 2.701 10 0 CFAERP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817360 179345006 /nfs/dbraw/zinc/34/50/06/179345006.db2.gz WQEDXFIHSPHZHO-ZIAGYGMSSA-N 2 0 250.386 2.675 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000086817364 179345029 /nfs/dbraw/zinc/34/50/29/179345029.db2.gz WTWYXYUHDFXHRW-CYBMUJFWSA-N 2 0 284.350 2.862 10 0 CFAERP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818502 179347050 /nfs/dbraw/zinc/34/70/50/179347050.db2.gz KZFLBZPDAGMQKD-ZBFHGGJFSA-N 2 0 276.424 2.787 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)C2CCCCCC2)CC1 ZINC000086847300 179356086 /nfs/dbraw/zinc/35/60/86/179356086.db2.gz QLAVZUQGYMKLJP-KRWDZBQOSA-N 2 0 281.488 2.844 10 0 CFAERP CCCCCN(C)[C@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846896 179357374 /nfs/dbraw/zinc/35/73/74/179357374.db2.gz UOYMBGWDVFYFQR-MRXNPFEDSA-N 2 0 269.477 2.702 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000086848920 179357595 /nfs/dbraw/zinc/35/75/95/179357595.db2.gz VQVXICHZWWCNGF-SFHVURJKSA-N 2 0 293.499 2.700 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2ccccc2F)CC1 ZINC000086835276 179350474 /nfs/dbraw/zinc/35/04/74/179350474.db2.gz ZVKYQCUETYMYJM-OAHLLOKOSA-N 2 0 264.388 2.832 10 0 CFAERP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000086840736 179353946 /nfs/dbraw/zinc/35/39/46/179353946.db2.gz XYJANFCYVQXRPE-HOTGVXAUSA-N 2 0 258.409 2.790 10 0 CFAERP CCC[N@@H+]1CCC[C@](CO)([NH2+]C2CCCCCC2)CC1 ZINC000086868218 179360880 /nfs/dbraw/zinc/36/08/80/179360880.db2.gz RKDBSHABZPILHC-KRWDZBQOSA-N 2 0 282.472 2.926 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]12 ZINC000261573523 539673097 /nfs/dbraw/zinc/67/30/97/539673097.db2.gz ASRAULRCPRCDBD-YESZJQIVSA-N 2 0 256.393 2.733 10 0 CFAERP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000105862280 186079886 /nfs/dbraw/zinc/07/98/86/186079886.db2.gz SWIJAVJTFWTFIN-MRXNPFEDSA-N 2 0 290.451 2.520 10 0 CFAERP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837201 355600529 /nfs/dbraw/zinc/60/05/29/355600529.db2.gz ONMUUIGKTNQTDH-MDZLAQPJSA-N 2 0 252.789 2.928 10 0 CFAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840522 355602511 /nfs/dbraw/zinc/60/25/11/355602511.db2.gz SYTUZBMIRYQPOU-CORIIIEPSA-N 2 0 250.361 2.803 10 0 CFAERP C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631842348 355603545 /nfs/dbraw/zinc/60/35/45/355603545.db2.gz ZCCNNTRUXVKFJE-DYVFJYSZSA-N 2 0 254.377 2.866 10 0 CFAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000422799602 237223881 /nfs/dbraw/zinc/22/38/81/237223881.db2.gz XQNWFFDBWKLIIN-AALSBFMBSA-N 2 0 250.430 2.933 10 0 CFAERP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@]1(C)CC[NH+](C)C1 ZINC000067847229 374008306 /nfs/dbraw/zinc/00/83/06/374008306.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 2 0 298.434 2.646 10 0 CFAERP CC(C)[C@H](C[NH2+]CC1CCC(C)CC1)N1CC[NH+](C)CC1 ZINC000089576888 374925104 /nfs/dbraw/zinc/92/51/04/374925104.db2.gz IZXUOOBKQBSLDR-ABHNRTSZSA-N 2 0 295.515 2.674 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cc(F)ccc1F ZINC000252678188 189982028 /nfs/dbraw/zinc/98/20/28/189982028.db2.gz FELINMMEVDMZOR-PKFCDNJMSA-N 2 0 254.324 2.743 10 0 CFAERP [NH3+]C1CCC([NH2+]CCCn2ccc3ccccc32)CC1 ZINC000094075371 375339581 /nfs/dbraw/zinc/33/95/81/375339581.db2.gz ZJAVXTDZNKSQMH-UHFFFAOYSA-N 2 0 271.408 2.891 10 0 CFAERP CC(C)[NH2+][C@H](CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095088342 375410151 /nfs/dbraw/zinc/41/01/51/375410151.db2.gz VUNPAHLTIXBIGB-ZWKOTPCHSA-N 2 0 290.451 2.648 10 0 CFAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261508136 190040361 /nfs/dbraw/zinc/04/03/61/190040361.db2.gz PYTOABHAZVOTRP-AAEUAGOBSA-N 2 0 272.314 2.527 10 0 CFAERP [NH3+]C[C@@H]1CCCN1Cc1ccc(Cl)c2cccnc12 ZINC000123250395 376951810 /nfs/dbraw/zinc/95/18/10/376951810.db2.gz PXSZXVUHBHZYMV-LBPRGKRZSA-N 2 0 275.783 2.811 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000129274140 377407237 /nfs/dbraw/zinc/40/72/37/377407237.db2.gz NARAXWQQVZXVLY-AAEUAGOBSA-N 2 0 252.427 2.719 10 0 CFAERP CC1(F)CC([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335373816 379182974 /nfs/dbraw/zinc/18/29/74/379182974.db2.gz NHUKONLULYEZHR-UHFFFAOYSA-N 2 0 254.393 2.874 10 0 CFAERP C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CC[NH2+]C1 ZINC000400473337 380861350 /nfs/dbraw/zinc/86/13/50/380861350.db2.gz YVZSUGYTHIKXNO-RKDXNWHRSA-N 2 0 289.242 2.598 10 0 CFAERP C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358411483 382604055 /nfs/dbraw/zinc/60/40/55/382604055.db2.gz YXMIJELNJQHKRV-MJVIPROJSA-N 2 0 252.789 2.941 10 0 CFAERP CC[NH2+][C@](C)(CO)CCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000085239171 184607374 /nfs/dbraw/zinc/60/73/74/184607374.db2.gz UOERKBYNXOPREL-JYJNAYRXSA-N 2 0 270.461 2.780 10 0 CFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3cnccn3)C2)[nH+]1 ZINC000248624703 383273889 /nfs/dbraw/zinc/27/38/89/383273889.db2.gz OSVDPFJKBMGDSR-HUUCEWRRSA-N 2 0 297.406 2.675 10 0 CFAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC000567641538 383297157 /nfs/dbraw/zinc/29/71/57/383297157.db2.gz MNWGHSJSARLPKI-RYRKJORJSA-N 2 0 290.451 2.817 10 0 CFAERP Cc1ccc2cc(C[N@H+]3C[C@@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000634999073 383455476 /nfs/dbraw/zinc/45/54/76/383455476.db2.gz PQAZIMRLKYRUFE-WBMJQRKESA-N 2 0 269.392 2.570 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]12 ZINC000261552550 383510139 /nfs/dbraw/zinc/51/01/39/383510139.db2.gz NAMQODWQWBBGNA-FPMFFAJLSA-N 2 0 250.773 2.509 10 0 CFAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000261558105 383511455 /nfs/dbraw/zinc/51/14/55/383511455.db2.gz XVGGUGXPHTVJMW-ABHNRTSZSA-N 2 0 287.451 2.511 10 0 CFAERP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000261596573 383525508 /nfs/dbraw/zinc/52/55/08/383525508.db2.gz AHXZXNSLRMDYCD-ULQDDVLXSA-N 2 0 281.403 2.712 10 0 CFAERP CCCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261876417 383574239 /nfs/dbraw/zinc/57/42/39/383574239.db2.gz ZTQMTLAULHEPTP-XIRDDKMYSA-N 2 0 274.408 2.645 10 0 CFAERP Cc1ncccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261903480 383577757 /nfs/dbraw/zinc/57/77/57/383577757.db2.gz WYIKVDIJRJVYNW-MSOLQXFVSA-N 2 0 281.403 2.564 10 0 CFAERP Cc1ccc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000261957437 383586216 /nfs/dbraw/zinc/58/62/16/383586216.db2.gz OUVNHXFKGPIGRV-OAHLLOKOSA-N 2 0 273.424 2.569 10 0 CFAERP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c(C)c1 ZINC000262017757 383594715 /nfs/dbraw/zinc/59/47/15/383594715.db2.gz WHNNHSJZMHCHBH-RCCFBDPRSA-N 2 0 288.435 2.550 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000261761904 383555743 /nfs/dbraw/zinc/55/57/43/383555743.db2.gz OCAQBOJBPQWWPS-MJGOQNOKSA-N 2 0 296.414 2.740 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc4ccccc4c3)C[C@H]12 ZINC000262582933 383628591 /nfs/dbraw/zinc/62/85/91/383628591.db2.gz ZFMFMUVDFYYLIO-YTQUADARSA-N 2 0 296.414 2.888 10 0 CFAERP CC(C)OC1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000643475837 384655224 /nfs/dbraw/zinc/65/52/24/384655224.db2.gz PUQLKDXXXMECMY-QRNKSROTSA-N 2 0 268.445 2.700 10 0 CFAERP C[C@@H]([NH2+]CCCCOCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400459222 533377887 /nfs/dbraw/zinc/37/78/87/533377887.db2.gz RAAZMYAPHVELTJ-NVXWUHKLSA-N 2 0 276.424 2.571 10 0 CFAERP CC[C@@H]1CN(c2cc[nH+]c(C)c2Cl)CC[C@H]1[NH3+] ZINC000383585461 393574685 /nfs/dbraw/zinc/57/46/85/393574685.db2.gz MTJZKZSJPJWSDO-GHMZBOCLSA-N 2 0 253.777 2.607 10 0 CFAERP Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000246169135 393851345 /nfs/dbraw/zinc/85/13/45/393851345.db2.gz NYRGVYGVMDASQD-AWEZNQCLSA-N 2 0 267.376 2.828 10 0 CFAERP C[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000037074265 543025980 /nfs/dbraw/zinc/02/59/80/543025980.db2.gz HOFNYBCOBUYOLE-CJNGLKHVSA-N 2 0 274.408 2.830 10 0 CFAERP C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000390597426 543105850 /nfs/dbraw/zinc/10/58/50/543105850.db2.gz UKIUDUOIAAYUNS-HOTGVXAUSA-N 2 0 290.451 2.912 10 0 CFAERP C[N@@H+]1CCC[C@@H](C[NH2+]C23CC4CC(CC(C4)C2)C3)C1 ZINC000006375884 170195852 /nfs/dbraw/zinc/19/58/52/170195852.db2.gz GKLPJMXGOMUSEO-SIGVMEELSA-N 2 0 262.441 2.887 10 0 CFAERP C[NH2+]CC1CC[NH+](CCCc2cccc(C)c2)CC1 ZINC000011889241 170453636 /nfs/dbraw/zinc/45/36/36/170453636.db2.gz INWDOKKXAQTDHC-UHFFFAOYSA-N 2 0 260.425 2.859 10 0 CFAERP CCC[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000020129273 171016813 /nfs/dbraw/zinc/01/68/13/171016813.db2.gz XAFREDHFKCQSJO-GOSISDBHSA-N 2 0 289.467 2.753 10 0 CFAERP CC1(C)CC([NH2+]Cc2ccc(O)cc2)CC(C)(C)[NH2+]1 ZINC000020143058 171029205 /nfs/dbraw/zinc/02/92/05/171029205.db2.gz JSEPXDBNTYFTNL-UHFFFAOYSA-N 2 0 262.397 2.791 10 0 CFAERP [NH3+][C@@H](CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020273981 171131094 /nfs/dbraw/zinc/13/10/94/171131094.db2.gz MYHGOUUREJMJEN-ZDUSSCGKSA-N 2 0 283.213 2.935 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]cc1N ZINC000020383087 171173257 /nfs/dbraw/zinc/17/32/57/171173257.db2.gz RRAYUHQPHAOOTE-GFCCVEGCSA-N 2 0 250.390 2.586 10 0 CFAERP CCCCN(CCCC)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000020484878 171224581 /nfs/dbraw/zinc/22/45/81/171224581.db2.gz SLHUQYCGCNFTFH-UHFFFAOYSA-N 2 0 269.477 2.702 10 0 CFAERP CC1CC[NH+](CCCC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022152650 171359513 /nfs/dbraw/zinc/35/95/13/171359513.db2.gz LXAUIDMYXGIPFX-UHFFFAOYSA-N 2 0 289.423 2.596 10 0 CFAERP CC(C)[NH+](CCNC1=[NH+]C(C)(C)CS1)C(C)C ZINC000035294335 172105685 /nfs/dbraw/zinc/10/56/85/172105685.db2.gz YJJRRQGNSIQWFY-UHFFFAOYSA-N 2 0 257.447 2.576 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000037220813 173039558 /nfs/dbraw/zinc/03/95/58/173039558.db2.gz KUUFTDMXIWTWEB-KBPBESRZSA-N 2 0 261.413 2.853 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)c2ccccn2)CC1 ZINC000037220374 173039697 /nfs/dbraw/zinc/03/96/97/173039697.db2.gz HLJCREXVFMZDQX-UONOGXRCSA-N 2 0 261.413 2.853 10 0 CFAERP CCC[N@H+](CCC[NH3+])Cc1cccc2cccnc21 ZINC000037299555 173104198 /nfs/dbraw/zinc/10/41/98/173104198.db2.gz IRXYVDGOXHLWNF-UHFFFAOYSA-N 2 0 257.381 2.796 10 0 CFAERP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000665283244 414249350 /nfs/dbraw/zinc/24/93/50/414249350.db2.gz JWQIKJWWBFZOBY-CWRNSKLLSA-N 2 0 268.445 2.559 10 0 CFAERP CC(C)=CC[NH+]1CCC(NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000038029077 174019506 /nfs/dbraw/zinc/01/95/06/174019506.db2.gz FSLPSLKCLOHSJS-QGZVFWFLSA-N 2 0 293.499 2.881 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000038041949 174044378 /nfs/dbraw/zinc/04/43/78/174044378.db2.gz VKDDPOWCNVWUGR-SJORKVTESA-N 3 0 295.515 2.818 10 0 CFAERP CC[NH+](CC)CCn1c(C[NH2+]C)nc2cc(Cl)ccc21 ZINC000040405719 174254034 /nfs/dbraw/zinc/25/40/34/174254034.db2.gz LQBMGBCAMFHJLL-UHFFFAOYSA-N 2 0 294.830 2.751 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040593007 174347669 /nfs/dbraw/zinc/34/76/69/174347669.db2.gz KAWAWQYXWMUTDP-GOEBONIOSA-N 2 0 276.424 2.645 10 0 CFAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040621497 174354989 /nfs/dbraw/zinc/35/49/89/174354989.db2.gz JLJGPEYPFDWSCN-RHSMWYFYSA-N 2 0 258.409 2.994 10 0 CFAERP CCC(CC)[C@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693771 174377747 /nfs/dbraw/zinc/37/77/47/174377747.db2.gz JNRXZTMRMTURMA-KRWDZBQOSA-N 2 0 281.488 2.700 10 0 CFAERP [NH3+][C@@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000040693970 174377790 /nfs/dbraw/zinc/37/77/90/174377790.db2.gz WFNCTZTUXXMJRZ-SFHVURJKSA-N 2 0 287.451 2.637 10 0 CFAERP [NH3+][C@@H]1CCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693949 174378030 /nfs/dbraw/zinc/37/80/30/174378030.db2.gz PQJNATYVROPDKL-IAGOWNOFSA-N 2 0 279.472 2.597 10 0 CFAERP CCN(Cc1csc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747535 174392878 /nfs/dbraw/zinc/39/28/78/174392878.db2.gz DYXRGBUDBFHEGP-ONXXMXGDSA-N 2 0 265.426 2.556 10 0 CFAERP COc1cccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749106 174393624 /nfs/dbraw/zinc/39/36/24/174393624.db2.gz VFTMONQTVUMKHB-PRTUASRFSA-N 2 0 260.381 2.710 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)cc1 ZINC000040749245 174394114 /nfs/dbraw/zinc/39/41/14/174394114.db2.gz WMYLZQVQSGJPQZ-AGUYFDCRSA-N 2 0 295.224 2.903 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCN2CCCCCC2)CC1 ZINC000040767744 174398269 /nfs/dbraw/zinc/39/82/69/174398269.db2.gz YLAQWSXVRKDVDX-KRWDZBQOSA-N 2 0 295.515 2.963 10 0 CFAERP C[C@@H](C[NH+]1CCCCC1)n1ccc2c1CCC[C@H]2[NH3+] ZINC000041723734 174618491 /nfs/dbraw/zinc/61/84/91/174618491.db2.gz JAYUTXDZYSYMNE-DZGCQCFKSA-N 2 0 261.413 2.871 10 0 CFAERP Cc1cc2c(n1[C@H](C[NH+](C)C)C(C)C)CCC[C@@H]2[NH3+] ZINC000041734398 174620195 /nfs/dbraw/zinc/62/01/95/174620195.db2.gz RUAVEXYKMGPKRU-GOEBONIOSA-N 2 0 263.429 2.891 10 0 CFAERP CCCO[C@@H]1CCC[N@H+](Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000042422680 174722198 /nfs/dbraw/zinc/72/21/98/174722198.db2.gz LQDKYHLZYQVYMY-CQSZACIVSA-N 2 0 293.386 2.501 10 0 CFAERP CC[NH+]1CCC(N(C)c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000042680149 174834622 /nfs/dbraw/zinc/83/46/22/174834622.db2.gz TZIBEIKWLYTSQI-CYBMUJFWSA-N 2 0 261.413 2.627 10 0 CFAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](C(C)(C)C)CC2)c1C ZINC000043314839 175004619 /nfs/dbraw/zinc/00/46/19/175004619.db2.gz LVPXIRRWXYVJMF-QGZVFWFLSA-N 2 0 289.467 2.719 10 0 CFAERP [NH3+]CC1(N2CCO[C@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424619 175040286 /nfs/dbraw/zinc/04/02/86/175040286.db2.gz BBLFBQHQUWYWGA-GJZGRUSLSA-N 2 0 266.429 2.682 10 0 CFAERP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043428140 175041177 /nfs/dbraw/zinc/04/11/77/175041177.db2.gz RUZMEYBMIPJBAK-HUUCEWRRSA-N 2 0 254.418 2.539 10 0 CFAERP CC[C@@H]([NH3+])Cc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000043492832 175057730 /nfs/dbraw/zinc/05/77/30/175057730.db2.gz HMYMZIBOXQSZRH-GFCCVEGCSA-N 2 0 270.804 2.560 10 0 CFAERP CCC[NH+]1CCN([C@H](C)[C@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805460 175107663 /nfs/dbraw/zinc/10/76/63/175107663.db2.gz DWRNPFLOEOMFSP-AEFFLSMTSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CC[NH+](CCC)CC1 ZINC000043805542 175107671 /nfs/dbraw/zinc/10/76/71/175107671.db2.gz LVIZNGFVRLICTC-JKSUJKDBSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805603 175107812 /nfs/dbraw/zinc/10/78/12/175107812.db2.gz KSRZSDYBCAFCET-ULQDDVLXSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806204 175108088 /nfs/dbraw/zinc/10/80/88/175108088.db2.gz LWHGGVYNUVMHOP-ULQDDVLXSA-N 2 0 281.488 2.571 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)N1CC[NH+](CC)CC1 ZINC000043806111 175108098 /nfs/dbraw/zinc/10/80/98/175108098.db2.gz NGIZCAHXXSJKNE-MSOLQXFVSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815438 175112300 /nfs/dbraw/zinc/11/23/00/175112300.db2.gz XEKWJFKYVLRXFU-NJAFHUGGSA-N 2 0 295.515 2.959 10 0 CFAERP CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818409 175112895 /nfs/dbraw/zinc/11/28/95/175112895.db2.gz AJNVEHSOZKPVDA-FUHWJXTLSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818510 175113054 /nfs/dbraw/zinc/11/30/54/175113054.db2.gz DXIQPJLKPXEMRN-AEFFLSMTSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818550 175114112 /nfs/dbraw/zinc/11/41/12/175114112.db2.gz ZMTABGDZBUIEDV-ULQDDVLXSA-N 2 0 281.488 2.571 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCC(OC)CC2)c1 ZINC000043890115 175117866 /nfs/dbraw/zinc/11/78/66/175117866.db2.gz VYZAQRPKHRHLBM-CYBMUJFWSA-N 2 0 292.423 2.586 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897157 175120193 /nfs/dbraw/zinc/12/01/93/175120193.db2.gz RMGRGMVKVUJHJF-IKGGRYGDSA-N 2 0 281.488 2.569 10 0 CFAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965448 175126620 /nfs/dbraw/zinc/12/66/20/175126620.db2.gz OTYDREYFEKYNPB-NVXWUHKLSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965514 175127073 /nfs/dbraw/zinc/12/70/73/175127073.db2.gz TZUPEEUXIWZWCI-HUUCEWRRSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967941 175128788 /nfs/dbraw/zinc/12/87/88/175128788.db2.gz LCVLSDJNXQTRIN-ZWKOTPCHSA-N 2 0 293.499 2.715 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967784 175128802 /nfs/dbraw/zinc/12/88/02/175128802.db2.gz QMDQZWRFYYAGKM-JQHSSLGASA-N 2 0 293.499 2.713 10 0 CFAERP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000043967616 175129140 /nfs/dbraw/zinc/12/91/40/175129140.db2.gz QKCDNXQTMFMXPB-ROUUACIJSA-N 2 0 287.451 2.506 10 0 CFAERP C[NH2+][C@H]1CCCCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970226 175130865 /nfs/dbraw/zinc/13/08/65/175130865.db2.gz XKRIXQGAQZQQQE-LSDHHAIUSA-N 2 0 256.434 2.512 10 0 CFAERP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970240 175131144 /nfs/dbraw/zinc/13/11/44/175131144.db2.gz GYIJAQUTEGBFMJ-HOTGVXAUSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N(CCOC)[C@@H](C)COC ZINC000043975881 175132881 /nfs/dbraw/zinc/13/28/81/175132881.db2.gz WBJVJJJOQSROIT-HRCADAONSA-N 2 0 288.476 2.527 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978251 175133324 /nfs/dbraw/zinc/13/33/24/175133324.db2.gz RPBXUBOJUZQINX-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@H](CN(C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000043978205 175133369 /nfs/dbraw/zinc/13/33/69/175133369.db2.gz LAVXUCUGCPAINP-GOSISDBHSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@H](C)CC[N@H+](CCOC)C(CC)CC ZINC000043977269 175133397 /nfs/dbraw/zinc/13/33/97/175133397.db2.gz SNOMZWFOTOQLOU-CQSZACIVSA-N 2 0 258.450 2.902 10 0 CFAERP CCC[NH2+][C@@H](C)[C@@H](C)[N@H+](CCOC)C(CC)CC ZINC000043977293 175133499 /nfs/dbraw/zinc/13/34/99/175133499.db2.gz JKSFEXOPONDUED-UONOGXRCSA-N 2 0 258.450 2.900 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978537 175133763 /nfs/dbraw/zinc/13/37/63/175133763.db2.gz JJBJTNDNFUCAJF-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP CCOc1ccc([C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044512039 175188243 /nfs/dbraw/zinc/18/82/43/175188243.db2.gz UIEQIERCTXOARB-ZDUSSCGKSA-N 2 0 262.397 2.817 10 0 CFAERP [NH3+]CC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000044513807 175189336 /nfs/dbraw/zinc/18/93/36/175189336.db2.gz MOQNRDSLDPDLBW-UHFFFAOYSA-N 2 0 268.401 2.589 10 0 CFAERP COc1ccccc1C1CC([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000044516349 175190297 /nfs/dbraw/zinc/19/02/97/175190297.db2.gz HXVISZQSHGXBOY-UHFFFAOYSA-N 2 0 288.435 2.873 10 0 CFAERP COc1cccc(C2CC([NH2+]C[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000044533505 175197004 /nfs/dbraw/zinc/19/70/04/175197004.db2.gz JPYMFHYSVGCWOR-OOHWJJMZSA-N 2 0 288.435 2.873 10 0 CFAERP COc1ccc(C[NH2+]CCCC[N@H+](C)C(C)C)cc1O ZINC000044573271 175210123 /nfs/dbraw/zinc/21/01/23/175210123.db2.gz ATLAELXFWMCXDV-UHFFFAOYSA-N 2 0 280.412 2.611 10 0 CFAERP CC[NH2+][C@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1C ZINC000044677458 175227693 /nfs/dbraw/zinc/22/76/93/175227693.db2.gz YNZSIJXXRKKPMO-PQEBFOHHSA-N 2 0 258.409 2.862 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)COCC)CC1 ZINC000044690797 175233304 /nfs/dbraw/zinc/23/33/04/175233304.db2.gz CPQRVYXEOBONMN-UONOGXRCSA-N 2 0 256.434 2.512 10 0 CFAERP [NH3+][C@H]1CCCc2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000044732441 175241268 /nfs/dbraw/zinc/24/12/68/175241268.db2.gz ODJCEYFOZJFQPL-KRWDZBQOSA-N 2 0 274.408 2.887 10 0 CFAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747602 175242963 /nfs/dbraw/zinc/24/29/63/175242963.db2.gz KDEATLORSFNJCN-QGZVFWFLSA-N 2 0 274.408 2.701 10 0 CFAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000044995384 175287214 /nfs/dbraw/zinc/28/72/14/175287214.db2.gz RTMMYMAYYXVOPY-OAHLLOKOSA-N 2 0 297.487 2.522 10 0 CFAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071347 175301521 /nfs/dbraw/zinc/30/15/21/175301521.db2.gz AKQBATSWIPFPIC-QGZVFWFLSA-N 2 0 293.499 2.844 10 0 CFAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](CC)C1CCCCC1 ZINC000045372399 175364707 /nfs/dbraw/zinc/36/47/07/175364707.db2.gz PXWJQYKTGKDLRZ-MRXNPFEDSA-N 2 0 284.444 2.702 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045380636 175369960 /nfs/dbraw/zinc/36/99/60/175369960.db2.gz ZQOXYLGBDLKDJU-KRWDZBQOSA-N 2 0 299.503 2.911 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)C(CC)CC)C(N)=O ZINC000045391475 175374706 /nfs/dbraw/zinc/37/47/06/175374706.db2.gz MVICEQYKJUVMPL-MRXNPFEDSA-N 2 0 285.476 2.521 10 0 CFAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267580 176100993 /nfs/dbraw/zinc/10/09/93/176100993.db2.gz QRJKRZGWEGZXNW-PHIMTYICSA-N 2 0 263.360 2.588 10 0 CFAERP CC(C)C[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])C1CC1 ZINC000071267886 176101717 /nfs/dbraw/zinc/10/17/17/176101717.db2.gz UKKITBFCQNTVJE-UHFFFAOYSA-N 2 0 263.360 2.730 10 0 CFAERP C[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])CC(C)(C)C ZINC000071267949 176101916 /nfs/dbraw/zinc/10/19/16/176101916.db2.gz QQECIYRNNRJTBZ-UHFFFAOYSA-N 2 0 251.349 2.588 10 0 CFAERP C[C@H]([NH2+]CCCCOCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521423701 262325965 /nfs/dbraw/zinc/32/59/65/262325965.db2.gz HNAVNVZLKWUCDX-WMZOPIPTSA-N 2 0 290.451 2.961 10 0 CFAERP C[NH+](C)CCOCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000226206381 270256338 /nfs/dbraw/zinc/25/63/38/270256338.db2.gz KPYZPAMZTWRZOS-GJZGRUSLSA-N 2 0 270.461 2.759 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000562958664 290085841 /nfs/dbraw/zinc/08/58/41/290085841.db2.gz JYKQZSIASLYDDR-GXTWGEPZSA-N 2 0 266.816 2.860 10 0 CFAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC000567641539 290480028 /nfs/dbraw/zinc/48/00/28/290480028.db2.gz MNWGHSJSARLPKI-SOLBZPMBSA-N 2 0 290.451 2.817 10 0 CFAERP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)COCc1ccccc1 ZINC000389946885 324522840 /nfs/dbraw/zinc/52/28/40/324522840.db2.gz QOBCRBNGYJIVEX-DOTOQJQBSA-N 2 0 276.424 2.571 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)OCC[C@H]1CCC[N@@H+]1C ZINC000052673560 519743606 /nfs/dbraw/zinc/74/36/06/519743606.db2.gz DLFSPCSFAOZIAJ-HZPDHXFCSA-N 2 0 270.461 2.902 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000052478862 519743745 /nfs/dbraw/zinc/74/37/45/519743745.db2.gz IITFECKWHDKYNY-HNNXBMFYSA-N 2 0 263.429 2.928 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181781 519909288 /nfs/dbraw/zinc/90/92/88/519909288.db2.gz ODDXJOCXBWKQGD-CQSZACIVSA-N 2 0 268.445 2.513 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@@H](C)CCC)CCOCC1 ZINC000052181881 519910157 /nfs/dbraw/zinc/91/01/57/519910157.db2.gz VSLBCFQJURWCDG-HNNXBMFYSA-N 2 0 270.461 2.903 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183468 519912137 /nfs/dbraw/zinc/91/21/37/519912137.db2.gz YCIXYULKRPMSMI-JKSUJKDBSA-N 2 0 282.472 2.903 10 0 CFAERP CC[NH2+]CCCC[N@H+](C)Cc1ccccc1OC ZINC000052542200 519919069 /nfs/dbraw/zinc/91/90/69/519919069.db2.gz LQTNRKMRSCIWCG-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CCC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346137 519928520 /nfs/dbraw/zinc/92/85/20/519928520.db2.gz MQUOVPQZQOFVCV-ZDUSSCGKSA-N 2 0 252.377 2.893 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C(C)(C)CC)O1 ZINC000069448471 519938999 /nfs/dbraw/zinc/93/89/99/519938999.db2.gz QJRQVBCXCJGVCE-ZIAGYGMSSA-N 2 0 256.434 2.654 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N(C)C1CC[NH+](CC)CC1 ZINC000069380507 521120686 /nfs/dbraw/zinc/12/06/86/521120686.db2.gz UIICMTKBMHZLLH-INIZCTEOSA-N 2 0 269.477 2.700 10 0 CFAERP CC[C@@H](C)C[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052454146 521971182 /nfs/dbraw/zinc/97/11/82/521971182.db2.gz BPHFPJSLSLHFSM-CQSZACIVSA-N 2 0 264.413 2.763 10 0 CFAERP CC(C)(C)C1CC[NH+](Cc2occc2C[NH3+])CC1 ZINC000052373610 518608335 /nfs/dbraw/zinc/60/83/35/518608335.db2.gz FAIAYLBDQNDNCU-UHFFFAOYSA-N 2 0 250.386 2.996 10 0 CFAERP CC(C)C[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C(C)C ZINC000052197789 519715014 /nfs/dbraw/zinc/71/50/14/519715014.db2.gz YUHIVNZXIPNIOE-UHFFFAOYSA-N 2 0 282.472 2.902 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823146 519725745 /nfs/dbraw/zinc/72/57/45/519725745.db2.gz XIISSAUPCJAFBB-HUUCEWRRSA-N 2 0 268.445 2.654 10 0 CFAERP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453167 519727687 /nfs/dbraw/zinc/72/76/87/519727687.db2.gz UWICYKZTMMCBCC-CYBMUJFWSA-N 2 0 268.426 2.715 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183025 519742752 /nfs/dbraw/zinc/74/27/52/519742752.db2.gz IWNQOLKCBRXQFM-JKSUJKDBSA-N 2 0 280.456 2.513 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@H+](C)CC(C)C)CCOCC1 ZINC000052181370 519742906 /nfs/dbraw/zinc/74/29/06/519742906.db2.gz BJIZIWMKLYPWTQ-UHFFFAOYSA-N 2 0 270.461 2.617 10 0 CFAERP CC(C)C[NH2+]Cc1occc1CN(C)C1CC[NH+](C)CC1 ZINC000052419940 519748788 /nfs/dbraw/zinc/74/87/88/519748788.db2.gz SQFNQSMWRWOJTI-UHFFFAOYSA-N 2 0 293.455 2.551 10 0 CFAERP CCCC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]CC)O2)CC1 ZINC000052374062 519902033 /nfs/dbraw/zinc/90/20/33/519902033.db2.gz HQYDZLQTZKCBQX-HZPDHXFCSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000052180948 519911674 /nfs/dbraw/zinc/91/16/74/519911674.db2.gz BUJBBKSDCZTGBM-UHFFFAOYSA-N 2 0 276.424 2.525 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000052198215 519913783 /nfs/dbraw/zinc/91/37/83/519913783.db2.gz FDHNNWCYDCCWAW-GJZGRUSLSA-N 2 0 268.445 2.513 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419170 519925042 /nfs/dbraw/zinc/92/50/42/519925042.db2.gz KIHUDLWGDSMGJP-ROUUACIJSA-N 2 0 288.435 2.592 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C(C)(C)C)O1 ZINC000052504562 519936518 /nfs/dbraw/zinc/93/65/18/519936518.db2.gz KBMLAGJKOFBEDO-ZNMIVQPWSA-N 2 0 270.461 2.900 10 0 CFAERP CCC[NH2+]Cc1ccccc1OCC[N@H+](C)C1CC1 ZINC000052445366 519956701 /nfs/dbraw/zinc/95/67/01/519956701.db2.gz RGPWXCMBIVATKR-UHFFFAOYSA-N 2 0 262.397 2.659 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(C)c2)O1 ZINC000052346049 519977169 /nfs/dbraw/zinc/97/71/69/519977169.db2.gz NMRCSFPKEQTSAN-SJORKVTESA-N 2 0 276.424 2.584 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)Cc2ccccc2)O1 ZINC000052443813 519977772 /nfs/dbraw/zinc/97/77/72/519977772.db2.gz ZCOUURLJQUYKJP-SJORKVTESA-N 2 0 276.424 2.666 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@H+](C)C(C)C)cc1 ZINC000052419600 519999603 /nfs/dbraw/zinc/99/96/03/519999603.db2.gz MSPATMZSLFQGQT-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CC1(C)CC[NH+](CCOc2ccc(CC[NH3+])cc2)CC1 ZINC000061818704 520377385 /nfs/dbraw/zinc/37/73/85/520377385.db2.gz IWTZJRXPIQHDFU-UHFFFAOYSA-N 2 0 276.424 2.689 10 0 CFAERP CCCC[N@H+](C)CCOc1ccccc1C[NH2+]CC ZINC000052417968 520411804 /nfs/dbraw/zinc/41/18/04/520411804.db2.gz PKYUWYJVMRSNBF-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CC1(C)C[N@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052481801 520471079 /nfs/dbraw/zinc/47/10/79/520471079.db2.gz VEDFJQPIZSFWKU-UHFFFAOYSA-N 2 0 274.364 2.502 10 0 CFAERP CCCC[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)[C@@H](C)CC ZINC000052372713 520540902 /nfs/dbraw/zinc/54/09/02/520540902.db2.gz YJGDXOWVVZVJRU-HNNXBMFYSA-N 2 0 295.475 2.677 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCc1cccnc1 ZINC000063222207 520637089 /nfs/dbraw/zinc/63/70/89/520637089.db2.gz MWSGALUHQQYFIA-HNNXBMFYSA-N 2 0 263.429 2.724 10 0 CFAERP CC[NH+](CC)CCO[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052671577 520694256 /nfs/dbraw/zinc/69/42/56/520694256.db2.gz ITVXHIBKYMBFIF-AWEZNQCLSA-N 2 0 258.450 2.758 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000069381085 521121219 /nfs/dbraw/zinc/12/12/19/521121219.db2.gz SDEHQTZPIDYUQO-IRXDYDNUSA-N 2 0 281.488 2.844 10 0 CFAERP CCOc1ccccc1OCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669205 521564784 /nfs/dbraw/zinc/56/47/84/521564784.db2.gz ILNWDHGJCDMJOT-HNNXBMFYSA-N 2 0 292.423 2.538 10 0 CFAERP CCC[NH+](CCC)C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052416861 521648034 /nfs/dbraw/zinc/64/80/34/521648034.db2.gz KVHBUVSCYPGENS-LSDHHAIUSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[N@H+](CCC[NH3+])Cc1cc(C)ccc1OC ZINC000050702678 521653050 /nfs/dbraw/zinc/65/30/50/521653050.db2.gz ZIAQUQTXKRHSLM-UHFFFAOYSA-N 2 0 250.386 2.564 10 0 CFAERP CCC[N@H+](CCOc1ccc(C[NH2+]C)cc1)C(C)C ZINC000052450383 521669121 /nfs/dbraw/zinc/66/91/21/521669121.db2.gz OSVGEPLWYCITJF-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052202787 521839906 /nfs/dbraw/zinc/83/99/06/521839906.db2.gz HHBLDPWBTCGOQN-CQSZACIVSA-N 2 0 258.409 2.823 10 0 CFAERP C[NH+](C)Cc1ccccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943254 521935799 /nfs/dbraw/zinc/93/57/99/521935799.db2.gz WYDDKJXRKYQUFV-HNNXBMFYSA-N 2 0 289.423 2.609 10 0 CFAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182013 521967679 /nfs/dbraw/zinc/96/76/79/521967679.db2.gz YGVZVJHNCRRQJQ-HOTGVXAUSA-N 2 0 280.456 2.657 10 0 CFAERP CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000055063340 522134323 /nfs/dbraw/zinc/13/43/23/522134323.db2.gz WPSZWJOGSTUIFJ-GFCCVEGCSA-N 2 0 281.831 2.719 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000052381353 522140672 /nfs/dbraw/zinc/14/06/72/522140672.db2.gz ATRJGXNQHZVTPC-CQSZACIVSA-N 2 0 262.397 2.517 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420691 522140841 /nfs/dbraw/zinc/14/08/41/522140841.db2.gz CGLSRBSTYWJDKF-GASCZTMLSA-N 2 0 276.424 2.763 10 0 CFAERP CC[C@H](C[NH2+]C1CC1)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416947 522191646 /nfs/dbraw/zinc/19/16/46/522191646.db2.gz YZGDHZZTPZMEHV-QZTJIDSGSA-N 2 0 287.451 2.506 10 0 CFAERP C[NH2+][C@@H](C)c1ccc(OCCC[NH+](C)C)c(Cl)c1 ZINC000061699605 522334294 /nfs/dbraw/zinc/33/42/94/522334294.db2.gz QIPOGFJVDYQYRJ-NSHDSACASA-N 2 0 270.804 2.951 10 0 CFAERP COC1CC[NH+]([C@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052455361 522706713 /nfs/dbraw/zinc/70/67/13/522706713.db2.gz HZGITPYVVOLDSH-CQSZACIVSA-N 2 0 256.434 2.512 10 0 CFAERP C[N@H+](CCCN1CCCCC1=[NH2+])Cc1ccccc1 ZINC000049583945 522748722 /nfs/dbraw/zinc/74/87/22/522748722.db2.gz FKOWSFKIOUZIBU-UHFFFAOYSA-N 2 0 259.397 2.972 10 0 CFAERP C[N@H+](CCOc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231669297 522919641 /nfs/dbraw/zinc/91/96/41/522919641.db2.gz WLBNYSBCPSITFL-CYBMUJFWSA-N 2 0 282.815 2.793 10 0 CFAERP CC[C@H]1CCC[N@H+](Cc2cc(C)c(C[NH2+]C)o2)C1 ZINC000052479932 523091292 /nfs/dbraw/zinc/09/12/92/523091292.db2.gz BOEKPUJKYXGNGB-ZDUSSCGKSA-N 2 0 250.386 2.929 10 0 CFAERP CC[C@@H]1CCCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181294 523166381 /nfs/dbraw/zinc/16/63/81/523166381.db2.gz VEXWTMLIMGGLMH-MRXNPFEDSA-N 2 0 280.456 2.800 10 0 CFAERP CC[C@@H]1CCC[N@@H+]1CCOc1ccccc1C[NH2+]C ZINC000052375101 523267575 /nfs/dbraw/zinc/26/75/75/523267575.db2.gz VDTVFLFRBDSZDI-OAHLLOKOSA-N 2 0 262.397 2.659 10 0 CFAERP CC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1CCOC ZINC000174737346 523306119 /nfs/dbraw/zinc/30/61/19/523306119.db2.gz VRDJDFBTEANOJX-HNNXBMFYSA-N 2 0 299.418 2.782 10 0 CFAERP CC[C@@H]1CC[N@H+](CCc2cccc(F)c2)CCC[NH2+]1 ZINC000049666267 523333021 /nfs/dbraw/zinc/33/30/21/523333021.db2.gz RPZBOZIPAQJKBX-MRXNPFEDSA-N 2 0 264.388 2.832 10 0 CFAERP CC[C@H]1CO[C@H](C)C[N@@H+]1CCCC[NH2+]CC(C)C ZINC000052570768 523352296 /nfs/dbraw/zinc/35/22/96/523352296.db2.gz CLXZZSVIXMYVTR-CABCVRRESA-N 2 0 256.434 2.512 10 0 CFAERP CC[C@](C)(C[NH2+]C(C)C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052063845 523464743 /nfs/dbraw/zinc/46/47/43/523464743.db2.gz XJDDURGSPQJAME-GOSISDBHSA-N 2 0 295.515 2.961 10 0 CFAERP C[N@H+](Cc1oc2ccccc2c1C[NH3+])[C@@H]1CCSC1 ZINC000052453436 523618182 /nfs/dbraw/zinc/61/81/82/523618182.db2.gz NFRYWGZNDDGLJW-LLVKDONJSA-N 2 0 276.405 2.829 10 0 CFAERP COCC[N@H+](C)Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052572961 523624464 /nfs/dbraw/zinc/62/44/64/523624464.db2.gz LYUHXKCKVDLUJI-UHFFFAOYSA-N 2 0 264.413 2.653 10 0 CFAERP C[N@@H+]1CCC[C@@H]1CCOc1cccc(Cl)c1C[NH3+] ZINC000052904935 523821904 /nfs/dbraw/zinc/82/19/04/523821904.db2.gz YOMQGVWXRNGJSQ-LLVKDONJSA-N 2 0 268.788 2.662 10 0 CFAERP C[N@@H+]1CCC[C@@H]1CCOc1ccc(C[NH3+])cc1Cl ZINC000062793333 523822537 /nfs/dbraw/zinc/82/25/37/523822537.db2.gz NZLSROIOVQBZTL-GFCCVEGCSA-N 2 0 268.788 2.662 10 0 CFAERP CCc1ccc([C@@H](C[NH3+])N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000048927013 524028540 /nfs/dbraw/zinc/02/85/40/524028540.db2.gz INGQZIMDUKGRCE-QGZVFWFLSA-N 2 0 289.467 2.665 10 0 CFAERP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1csc(C[NH3+])n1 ZINC000052546771 524162865 /nfs/dbraw/zinc/16/28/65/524162865.db2.gz IBNJAZRYTLXJIX-ZYHUDNBSSA-N 2 0 253.415 2.612 10 0 CFAERP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1C ZINC000050563670 524220454 /nfs/dbraw/zinc/22/04/54/524220454.db2.gz UWDRSOYPCZCFEZ-ZIAGYGMSSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235160423 524908086 /nfs/dbraw/zinc/90/80/86/524908086.db2.gz KBKTVBFHYCIDNB-DZGCQCFKSA-N 2 0 264.388 2.688 10 0 CFAERP C[C@@H]1C[NH+](Cc2c(C[NH3+])oc3ccccc32)C[C@@H](C)O1 ZINC000052380409 524982301 /nfs/dbraw/zinc/98/23/01/524982301.db2.gz MFCYFAQQGJZJRV-VXGBXAGGSA-N 2 0 274.364 2.501 10 0 CFAERP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052476649 525152239 /nfs/dbraw/zinc/15/22/39/525152239.db2.gz AKFWEJCAOUDLBF-KGLIPLIRSA-N 2 0 256.434 2.654 10 0 CFAERP CSCCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000069432667 525477890 /nfs/dbraw/zinc/47/78/90/525477890.db2.gz KUDNYMZTRQIGHL-YIONKMFJSA-N 2 0 270.486 2.838 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)[C@@H]1CCC[N@H+](C)C1 ZINC000049156027 525602351 /nfs/dbraw/zinc/60/23/51/525602351.db2.gz DTUVGODIKOGNJM-GZBFAFLISA-N 2 0 266.454 2.999 10 0 CFAERP Cc1ccc(Br)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000084683387 525985958 /nfs/dbraw/zinc/98/59/58/525985958.db2.gz WIYZTAXASCJBFB-UHFFFAOYSA-N 2 0 283.213 2.599 10 0 CFAERP c1ccc2c(c1)CC[C@@H]2[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357020 526505225 /nfs/dbraw/zinc/50/52/25/526505225.db2.gz UKKYGFBTHGEVPV-YESZJQIVSA-N 2 0 256.393 2.890 10 0 CFAERP [NH3+]Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702145 527260218 /nfs/dbraw/zinc/26/02/18/527260218.db2.gz IYCFPXBXEIKJTR-QGZVFWFLSA-N 2 0 282.387 2.799 10 0 CFAERP [NH3+]Cc1coc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000052373104 527263312 /nfs/dbraw/zinc/26/33/12/527263312.db2.gz OBLSOGAMSUVOPR-OAHLLOKOSA-N 2 0 256.349 2.728 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309684598 618908251 /nfs/dbraw/zinc/90/82/51/618908251.db2.gz AMSWGZPKQMMUPN-IXDOHACOSA-N 2 0 258.409 2.897 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCSCc3ccccc3)C[C@H]12 ZINC000261803576 619277106 /nfs/dbraw/zinc/27/71/06/619277106.db2.gz HCKLWLOJSSCDDR-OWCLPIDISA-N 2 0 276.449 2.589 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCSCc3ccccc3)C[C@@H]12 ZINC000261803571 619277123 /nfs/dbraw/zinc/27/71/23/619277123.db2.gz HCKLWLOJSSCDDR-ARFHVFGLSA-N 2 0 276.449 2.589 10 0 CFAERP Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2[nH+]1 ZINC000261872014 619300351 /nfs/dbraw/zinc/30/03/51/619300351.db2.gz ZCOCQNWUEBGXCQ-QGZVFWFLSA-N 2 0 267.376 2.733 10 0 CFAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089149290 623588708 /nfs/dbraw/zinc/58/87/08/623588708.db2.gz LKZRJHMUQJMRHK-YYJSSNLHSA-N 2 0 264.335 2.825 10 0 CFAERP C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250941668 625149777 /nfs/dbraw/zinc/14/97/77/625149777.db2.gz ZMWRMSXYYXKLEU-LDBYLJPUSA-N 2 0 278.440 2.551 10 0 CFAERP [NH3+]C1CCC([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000111753996 635167943 /nfs/dbraw/zinc/16/79/43/635167943.db2.gz KKJMINZNMMSFGY-UHFFFAOYSA-N 2 0 255.365 2.594 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089148559 650829103 /nfs/dbraw/zinc/82/91/03/650829103.db2.gz ZLBZHHJFQBMECB-GZBFAFLISA-N 2 0 262.397 2.782 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000089150278 650829132 /nfs/dbraw/zinc/82/91/32/650829132.db2.gz QEJIMBITDKNPGT-WCQGTBRESA-N 2 0 253.415 2.538 10 0 CFAERP C/C=C(/C)C[N@@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000096833461 651000174 /nfs/dbraw/zinc/00/01/74/651000174.db2.gz LVCPQBHLIHEHSM-CPSFFCFKSA-N 2 0 259.397 2.868 10 0 CFAERP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC000082729006 178245585 /nfs/dbraw/zinc/24/55/85/178245585.db2.gz ZARRIMINPMVMKJ-SJORKVTESA-N 2 0 258.409 2.877 10 0 CFAERP CC(C)[C@H]1C[NH2+]C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096950609 185139955 /nfs/dbraw/zinc/13/99/55/185139955.db2.gz QWGFDMSULJILOD-IAGOWNOFSA-N 2 0 258.409 2.754 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000086817845 179345990 /nfs/dbraw/zinc/34/59/90/179345990.db2.gz HSXGSFQCWSJHSZ-GXTWGEPZSA-N 2 0 276.380 2.550 10 0 CFAERP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818649 179346503 /nfs/dbraw/zinc/34/65/03/179346503.db2.gz RMUKWALHHZYZHG-DZGCQCFKSA-N 2 0 262.397 2.830 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000086848255 179357262 /nfs/dbraw/zinc/35/72/62/179357262.db2.gz NBRHEILOFZXBCH-INIZCTEOSA-N 2 0 269.477 2.556 10 0 CFAERP CC[N@@H+]1CCC[C@@H](NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000086836916 179351632 /nfs/dbraw/zinc/35/16/32/179351632.db2.gz QBWPZBSLHZUUIB-SJORKVTESA-N 2 0 281.488 2.571 10 0 CFAERP CCCN(C(C)C)[C@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846779 179355629 /nfs/dbraw/zinc/35/56/29/179355629.db2.gz OHFBLEBRCCVUQL-MRXNPFEDSA-N 2 0 269.477 2.700 10 0 CFAERP CCC(C)(C)N(C)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086848842 179358542 /nfs/dbraw/zinc/35/85/42/179358542.db2.gz OFXYXUXIOLIDLX-MRXNPFEDSA-N 2 0 269.477 2.699 10 0 CFAERP C[C@@H](C[NH3+])CC[NH2+]Cc1ccc(Br)s1 ZINC000087999718 179534835 /nfs/dbraw/zinc/53/48/35/179534835.db2.gz OLPCDVGFXKEIRL-MRVPVSSYSA-N 2 0 277.231 2.585 10 0 CFAERP CCCC1(C[N@H+](C)C[C@H]2CCCOC2)CC[NH2+]CC1 ZINC000104200002 185928454 /nfs/dbraw/zinc/92/84/54/185928454.db2.gz JFRSPFLXYSDNAK-OAHLLOKOSA-N 2 0 268.445 2.515 10 0 CFAERP CCn1cccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000091025787 180089282 /nfs/dbraw/zinc/08/92/82/180089282.db2.gz SXVZUCGKPOXVRP-OAHLLOKOSA-N 2 0 263.429 2.720 10 0 CFAERP [NH3+][C@@H]1CCCCCN(c2cc[nH+]c3ccccc32)C1 ZINC000630548824 355108928 /nfs/dbraw/zinc/10/89/28/355108928.db2.gz GOKVBHYBSSRBOM-CYBMUJFWSA-N 2 0 255.365 2.943 10 0 CFAERP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837853 355601622 /nfs/dbraw/zinc/60/16/22/355601622.db2.gz GCQXPIVPBNCVAX-WZRBSPASSA-N 2 0 252.789 2.928 10 0 CFAERP C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000631840189 355602580 /nfs/dbraw/zinc/60/25/80/355602580.db2.gz ADXUYCXNXCKIQY-NEPJUHHUSA-N 2 0 260.406 2.928 10 0 CFAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017274 372633866 /nfs/dbraw/zinc/63/38/66/372633866.db2.gz YKSNSQNHZKYWKV-CJNGLKHVSA-N 2 0 289.423 2.594 10 0 CFAERP C[NH2+]C[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000041721439 372860185 /nfs/dbraw/zinc/86/01/85/372860185.db2.gz DWAMUHINDBHWSE-CYBMUJFWSA-N 2 0 255.365 2.671 10 0 CFAERP CCn1nc(C)c([C@H](C)[NH2+]CCCC[NH+](C)C)c1C ZINC000045664303 373026352 /nfs/dbraw/zinc/02/63/52/373026352.db2.gz WHFPVVNJSLBEJF-LBPRGKRZSA-N 2 0 266.433 2.512 10 0 CFAERP C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000120451720 376617894 /nfs/dbraw/zinc/61/78/94/376617894.db2.gz QIZCVWWEWRRGDX-WWGRRREGSA-N 2 0 262.397 2.686 10 0 CFAERP CCn1nc(C)c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1C ZINC000125434266 377154245 /nfs/dbraw/zinc/15/42/45/377154245.db2.gz MNWIRAGSVNGXJD-ZDUSSCGKSA-N 2 0 292.471 2.902 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400335737 380856353 /nfs/dbraw/zinc/85/63/53/380856353.db2.gz FWNSEYWEKAMICZ-HLLBOEOZSA-N 2 0 276.424 2.569 10 0 CFAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000186595578 381959582 /nfs/dbraw/zinc/95/95/82/381959582.db2.gz BIPWJQYYRPESDC-IXDOHACOSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@](C)(CO)CCC[NH+]1CCCCCCC1 ZINC000085216573 184605504 /nfs/dbraw/zinc/60/55/04/184605504.db2.gz WAEHDFMLFFCECD-INIZCTEOSA-N 2 0 270.461 2.783 10 0 CFAERP Cc1nc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000386065944 382582353 /nfs/dbraw/zinc/58/23/53/382582353.db2.gz FHUAFIHXIJHCNW-OLUVUFQESA-N 2 0 267.442 2.738 10 0 CFAERP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)CC(F)(F)F ZINC000575795008 382799036 /nfs/dbraw/zinc/79/90/36/382799036.db2.gz ASAWGCCRWSXBAD-GRYCIOLGSA-N 2 0 266.351 2.943 10 0 CFAERP CCC[C@H]1C[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000233401955 382871373 /nfs/dbraw/zinc/87/13/73/382871373.db2.gz YNWRJFLQSHEONA-BBRMVZONSA-N 2 0 259.397 2.829 10 0 CFAERP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247189000 383151911 /nfs/dbraw/zinc/15/19/11/383151911.db2.gz VPYGUHOETHVXAG-ARFHVFGLSA-N 2 0 270.461 2.638 10 0 CFAERP C[C@H]([NH2+]CCCOC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000520564850 383263130 /nfs/dbraw/zinc/26/31/30/383263130.db2.gz DPYYZIFDWKBJOB-GJZGRUSLSA-N 2 0 268.445 2.704 10 0 CFAERP C[C@@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000261539083 383508219 /nfs/dbraw/zinc/50/82/19/383508219.db2.gz BMPKSIQQRTZZEJ-LTDKPHRXSA-N 2 0 287.451 2.509 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000261552553 383510383 /nfs/dbraw/zinc/51/03/83/383510383.db2.gz NAMQODWQWBBGNA-MRVWCRGKSA-N 2 0 250.773 2.509 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc4cccnc43)C[C@H]12 ZINC000261690742 383543881 /nfs/dbraw/zinc/54/38/81/383543881.db2.gz NHZNZTDOLIJRLR-VBNZEHGJSA-N 2 0 285.366 2.543 10 0 CFAERP Cc1csc([C@@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000262227399 383612909 /nfs/dbraw/zinc/61/29/09/383612909.db2.gz NLTVKYUJODIIRG-AWEZNQCLSA-N 2 0 279.453 2.978 10 0 CFAERP c1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC21CC1 ZINC000261988463 383591024 /nfs/dbraw/zinc/59/10/24/383591024.db2.gz SAXWBLMAZYIXJQ-AWEZNQCLSA-N 2 0 256.393 2.533 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)C[C@H]12 ZINC000262030995 383597607 /nfs/dbraw/zinc/59/76/07/383597607.db2.gz XEYHEJZCSATHQB-BPQIPLTHSA-N 2 0 286.419 2.645 10 0 CFAERP COc1ccc(Cl)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000262087875 383603641 /nfs/dbraw/zinc/60/36/41/383603641.db2.gz GJKWMRVZIJTVPX-XEGUGMAKSA-N 2 0 280.799 2.518 10 0 CFAERP COc1ccc(Cl)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000262087873 383603674 /nfs/dbraw/zinc/60/36/74/383603674.db2.gz GJKWMRVZIJTVPX-PSOPSSQASA-N 2 0 280.799 2.518 10 0 CFAERP COc1ccc(Cl)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000262087876 383604131 /nfs/dbraw/zinc/60/41/31/383604131.db2.gz GJKWMRVZIJTVPX-ZBINZKHDSA-N 2 0 280.799 2.518 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000261780981 383559626 /nfs/dbraw/zinc/55/96/26/383559626.db2.gz PNQMIGKIMLAJCP-MPKXVKKWSA-N 2 0 284.325 2.875 10 0 CFAERP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000262570028 383627739 /nfs/dbraw/zinc/62/77/39/383627739.db2.gz XIHWHMRSTXUQCF-UAGQMJEPSA-N 2 0 297.402 2.819 10 0 CFAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCC3(F)F)C[C@H]21 ZINC000381586066 393564420 /nfs/dbraw/zinc/56/44/20/393564420.db2.gz CPMKBJZZURACJJ-AAVRWANBSA-N 2 0 272.383 2.871 10 0 CFAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)C[C@H]21 ZINC000381586067 393564616 /nfs/dbraw/zinc/56/46/16/393564616.db2.gz CPMKBJZZURACJJ-XJFOESAGSA-N 2 0 272.383 2.871 10 0 CFAERP CCOc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231460474 393781802 /nfs/dbraw/zinc/78/18/02/393781802.db2.gz QXNNDADKUZOSLG-HNNXBMFYSA-N 2 0 262.397 2.659 10 0 CFAERP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763705 393888108 /nfs/dbraw/zinc/88/81/08/393888108.db2.gz SSGKBJSMEJFLRG-AWEZNQCLSA-N 2 0 269.392 2.666 10 0 CFAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000684963133 542879147 /nfs/dbraw/zinc/87/91/47/542879147.db2.gz NLQVIEDFXIPRGE-LXTVHRRPSA-N 2 0 268.445 2.510 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000390597427 543105783 /nfs/dbraw/zinc/10/57/83/543105783.db2.gz UKIUDUOIAAYUNS-HZPDHXFCSA-N 2 0 290.451 2.912 10 0 CFAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394672153 397551074 /nfs/dbraw/zinc/55/10/74/397551074.db2.gz SYROLCSNAWKLJP-CHWSQXEVSA-N 2 0 260.372 2.873 10 0 CFAERP C[N@@H+]1CCC[C@H](C[NH2+]C23CC4CC(CC(C4)C2)C3)C1 ZINC000005842655 170146063 /nfs/dbraw/zinc/14/60/63/170146063.db2.gz GKLPJMXGOMUSEO-CWJHNBGESA-N 2 0 262.441 2.887 10 0 CFAERP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000020143070 171029212 /nfs/dbraw/zinc/02/92/12/171029212.db2.gz NQEWETKRMCGFCX-UHFFFAOYSA-N 2 0 292.423 2.800 10 0 CFAERP [NH3+][C@H](CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020273982 171130779 /nfs/dbraw/zinc/13/07/79/171130779.db2.gz MYHGOUUREJMJEN-CYBMUJFWSA-N 2 0 283.213 2.935 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]cc1N ZINC000020383089 171173515 /nfs/dbraw/zinc/17/35/15/171173515.db2.gz RRAYUHQPHAOOTE-LBPRGKRZSA-N 2 0 250.390 2.586 10 0 CFAERP Cc1ccccc1OC[C@H](CC[NH3+])[NH+]1CCCCC1 ZINC000020402218 171182289 /nfs/dbraw/zinc/18/22/89/171182289.db2.gz DIEZSKIEBHVWCM-HNNXBMFYSA-N 2 0 262.397 2.577 10 0 CFAERP C[NH+]1CCN([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])CC1 ZINC000023070176 171410306 /nfs/dbraw/zinc/41/03/06/171410306.db2.gz JAVOVDOLBQKMDS-DLBZAZTESA-N 2 0 281.488 2.844 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000035151100 172014733 /nfs/dbraw/zinc/01/47/33/172014733.db2.gz DICNHUMUPPORJP-HUUCEWRRSA-N 2 0 256.434 2.656 10 0 CFAERP CC[C@H](C)C[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037173359 173007882 /nfs/dbraw/zinc/00/78/82/173007882.db2.gz YQTDDAIXZXTXPG-JTQLQIEISA-N 2 0 251.349 2.588 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037220144 173038115 /nfs/dbraw/zinc/03/81/15/173038115.db2.gz PNOGSYXPZQLUPS-LZWOXQAQSA-N 2 0 261.413 2.853 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCOC(C)C)C1 ZINC000037221635 173042455 /nfs/dbraw/zinc/04/24/55/173042455.db2.gz PYKZCHZMVXLJJS-CABCVRRESA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)[N@H+](CCC[NH3+])Cc1ccc2ccccc2n1 ZINC000037299592 173104175 /nfs/dbraw/zinc/10/41/75/173104175.db2.gz QTLAWPNJOILMSO-UHFFFAOYSA-N 2 0 257.381 2.794 10 0 CFAERP CC[NH2+][C@@H](C)c1ccccc1OCCC[NH+](C)C ZINC000040240407 174212889 /nfs/dbraw/zinc/21/28/89/174212889.db2.gz AZXMRCJOSQJLME-ZDUSSCGKSA-N 2 0 250.386 2.688 10 0 CFAERP c1cc2c(c(OCCC[NH+]3CCCCC3)c1)CC[NH2+]C2 ZINC000040565569 174337312 /nfs/dbraw/zinc/33/73/12/174337312.db2.gz CPIIRFSGNQWTCI-UHFFFAOYSA-N 2 0 274.408 2.587 10 0 CFAERP [NH3+]C[C@H]1CCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693657 174377534 /nfs/dbraw/zinc/37/75/34/174377534.db2.gz URIYLZHXMIWLOY-AEFFLSMTSA-N 2 0 293.499 2.844 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCSc1ccccc1 ZINC000040750477 174395923 /nfs/dbraw/zinc/39/59/23/174395923.db2.gz TZHNMIOUOFUMSI-AGUYFDCRSA-N 2 0 262.422 2.733 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NCC[NH+]2CCCCCC2)C1 ZINC000040767718 174398206 /nfs/dbraw/zinc/39/82/06/174398206.db2.gz HHHLIZGMQODZBE-SJORKVTESA-N 2 0 281.488 2.572 10 0 CFAERP C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC([NH+](C)C)CC1 ZINC000042945327 174920515 /nfs/dbraw/zinc/92/05/15/174920515.db2.gz VDIAOLMZWRJOIX-BLLLJJGKSA-N 2 0 295.858 2.754 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043315037 175004631 /nfs/dbraw/zinc/00/46/31/175004631.db2.gz JQJFXLWISLPQOW-SFHVURJKSA-N 2 0 289.467 2.719 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N(CC[NH+](C)C)CC(C)C ZINC000043336304 175011708 /nfs/dbraw/zinc/01/17/08/175011708.db2.gz GHEHEEOLPFDNTI-ZBFHGGJFSA-N 2 0 281.444 2.578 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC(C[NH+](C)C)CC1 ZINC000043364994 175026107 /nfs/dbraw/zinc/02/61/07/175026107.db2.gz LLXWIIGKFWUQCD-RDJZCZTQSA-N 2 0 293.455 2.640 10 0 CFAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389752 175033613 /nfs/dbraw/zinc/03/36/13/175033613.db2.gz ONATWUIBIKEKPV-LLVKDONJSA-N 2 0 256.752 2.520 10 0 CFAERP CC[N@H+](CCC[C@H]1CCC[NH2+]C1)Cc1ccncc1 ZINC000043592015 175074314 /nfs/dbraw/zinc/07/43/14/175074314.db2.gz NWWQPXXHQMFEKL-OAHLLOKOSA-N 2 0 261.413 2.683 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805605 175107583 /nfs/dbraw/zinc/10/75/83/175107583.db2.gz KSRZSDYBCAFCET-ZACQAIPSSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH+]1CCN([C@@H](C)[C@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805458 175107644 /nfs/dbraw/zinc/10/76/44/175107644.db2.gz DWRNPFLOEOMFSP-WMZOPIPTSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CC[NH+](CCC)CC1 ZINC000043805655 175107751 /nfs/dbraw/zinc/10/77/51/175107751.db2.gz FGQISNUTRYRHEB-DLBZAZTESA-N 2 0 283.504 2.961 10 0 CFAERP CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043811026 175110173 /nfs/dbraw/zinc/11/01/73/175110173.db2.gz GUSXGEWZSFXLSW-FUHWJXTLSA-N 2 0 289.467 2.672 10 0 CFAERP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815230 175111945 /nfs/dbraw/zinc/11/19/45/175111945.db2.gz JCBWBCVVVFQIRG-YJBOKZPZSA-N 2 0 289.467 2.670 10 0 CFAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(CC)cc1 ZINC000043818441 175112978 /nfs/dbraw/zinc/11/29/78/175112978.db2.gz FHWNQQTXIXTTQY-GOSISDBHSA-N 2 0 289.467 2.537 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818552 175113699 /nfs/dbraw/zinc/11/36/99/175113699.db2.gz ZMTABGDZBUIEDV-ZACQAIPSSA-N 2 0 281.488 2.571 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890183 175118179 /nfs/dbraw/zinc/11/81/79/175118179.db2.gz IICBOGBISMEWTA-HZPDHXFCSA-N 2 0 268.445 2.798 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897081 175120048 /nfs/dbraw/zinc/12/00/48/175120048.db2.gz OSPIMYQUWUURBX-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1C ZINC000043897103 175120161 /nfs/dbraw/zinc/12/01/61/175120161.db2.gz HAFCXJUKNDTVFN-SFHVURJKSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965517 175126877 /nfs/dbraw/zinc/12/68/77/175126877.db2.gz TZUPEEUXIWZWCI-CABCVRRESA-N 2 0 269.477 2.569 10 0 CFAERP C[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)c1ccccc1C ZINC000043965510 175126893 /nfs/dbraw/zinc/12/68/93/175126893.db2.gz WXGWBGNVHMGIKW-KRWDZBQOSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965630 175127110 /nfs/dbraw/zinc/12/71/10/175127110.db2.gz ZFQUVIIQEDVJOB-HZPDHXFCSA-N 2 0 283.504 2.959 10 0 CFAERP C[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)c1ccc(C)cc1 ZINC000043970542 175131042 /nfs/dbraw/zinc/13/10/42/175131042.db2.gz OPZIENJUWCAQQQ-GOSISDBHSA-N 2 0 289.467 2.529 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970699 175132115 /nfs/dbraw/zinc/13/21/15/175132115.db2.gz CPDCJSRXKNQMCD-MSOLQXFVSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH2+][C@H]1CCOC[C@@H]1N(C)[C@@H]1CCCC[C@@H]1C ZINC000043976832 175132767 /nfs/dbraw/zinc/13/27/67/175132767.db2.gz AFLMEYJXFZQQJT-JONQDZQNSA-N 2 0 268.445 2.654 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978246 175133285 /nfs/dbraw/zinc/13/32/85/175133285.db2.gz RPBXUBOJUZQINX-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CC(C)C(C(O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044132977 175145287 /nfs/dbraw/zinc/14/52/87/175145287.db2.gz MJMNRBZGQLJEHH-MSOLQXFVSA-N 2 0 290.451 2.771 10 0 CFAERP Cc1ccc([C@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000044169751 175148618 /nfs/dbraw/zinc/14/86/18/175148618.db2.gz UNUCBZRLKXNEMS-GOSISDBHSA-N 2 0 290.451 2.610 10 0 CFAERP Cc1ccc([C@@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000044169756 175148705 /nfs/dbraw/zinc/14/87/05/175148705.db2.gz UNUCBZRLKXNEMS-SFHVURJKSA-N 2 0 290.451 2.610 10 0 CFAERP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000044482964 175179894 /nfs/dbraw/zinc/17/98/94/175179894.db2.gz WVGLPBIDWQGBSE-CVEARBPZSA-N 2 0 260.425 2.939 10 0 CFAERP Cc1ccc(SCC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044513317 175188807 /nfs/dbraw/zinc/18/88/07/175188807.db2.gz YGAKXDMVPVEDSZ-UHFFFAOYSA-N 2 0 264.438 2.758 10 0 CFAERP COc1ccc(C2CC([NH2+]CC3CC[NH+](C)CC3)C2)cc1 ZINC000044516353 175190366 /nfs/dbraw/zinc/19/03/66/175190366.db2.gz OBMJGIZRJNFPOH-UHFFFAOYSA-N 2 0 288.435 2.873 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000044561421 175205027 /nfs/dbraw/zinc/20/50/27/175205027.db2.gz BTDSCFZGUUXLNJ-IKGGRYGDSA-N 2 0 281.488 2.571 10 0 CFAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660209 175226126 /nfs/dbraw/zinc/22/61/26/175226126.db2.gz ZNPKNFXVQUADKA-XJNFMUPTSA-N 2 0 258.409 2.720 10 0 CFAERP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000044675810 175227179 /nfs/dbraw/zinc/22/71/79/175227179.db2.gz VFGCCBIYIWUBEJ-DLBZAZTESA-N 2 0 252.361 2.791 10 0 CFAERP [NH3+][C@@H]1CCCc2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000044732442 175241389 /nfs/dbraw/zinc/24/13/89/175241389.db2.gz ODJCEYFOZJFQPL-QGZVFWFLSA-N 2 0 274.408 2.887 10 0 CFAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071281 175301145 /nfs/dbraw/zinc/30/11/45/175301145.db2.gz SEBNBBKGKGNIET-QGZVFWFLSA-N 2 0 293.499 2.843 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371458 175364170 /nfs/dbraw/zinc/36/41/70/175364170.db2.gz IPPACXBUVPRFHH-KRWDZBQOSA-N 2 0 297.487 2.666 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045380634 175369985 /nfs/dbraw/zinc/36/99/85/175369985.db2.gz NYJLKHPZPZFNIP-QGZVFWFLSA-N 2 0 299.503 2.912 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045380638 175370382 /nfs/dbraw/zinc/37/03/82/175370382.db2.gz ZQOXYLGBDLKDJU-QGZVFWFLSA-N 2 0 299.503 2.911 10 0 CFAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000071142598 176040291 /nfs/dbraw/zinc/04/02/91/176040291.db2.gz UFFXLMDXHQSURS-BXUZGUMPSA-N 2 0 250.411 2.741 10 0 CFAERP CCC[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])CC1CC1 ZINC000071267814 176101330 /nfs/dbraw/zinc/10/13/30/176101330.db2.gz KZPDGHIENLRLRG-UHFFFAOYSA-N 2 0 263.360 2.732 10 0 CFAERP COc1ccc([C@@H](CC[NH3+])C[NH+]2CCCCC2)cc1 ZINC000076676202 177056221 /nfs/dbraw/zinc/05/62/21/177056221.db2.gz WFGGIKGQQQEDTM-HNNXBMFYSA-N 2 0 262.397 2.614 10 0 CFAERP CCCCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000398325186 270321933 /nfs/dbraw/zinc/32/19/33/270321933.db2.gz FDRKKRJKRGTDRC-OAHLLOKOSA-N 2 0 262.397 2.565 10 0 CFAERP c1ccc(COc2cccc(C[NH2+]C[C@H]3CC[NH2+]C3)c2)cc1 ZINC000398325722 270322182 /nfs/dbraw/zinc/32/21/82/270322182.db2.gz FGYYGNZCWUUWPV-SFHVURJKSA-N 2 0 296.414 2.965 10 0 CFAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000336528006 277609300 /nfs/dbraw/zinc/60/93/00/277609300.db2.gz ZIAWBGZPNOFHNJ-AEFFLSMTSA-N 2 0 293.499 2.665 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CC[NH2+]C1 ZINC000400462981 278271538 /nfs/dbraw/zinc/27/15/38/278271538.db2.gz VEGMTMPYYJGXBK-IRCOFANPSA-N 2 0 264.335 2.695 10 0 CFAERP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310972221 278312934 /nfs/dbraw/zinc/31/29/34/278312934.db2.gz DMOQQLSBXKHBJK-LALPHHSUSA-N 2 0 250.361 2.803 10 0 CFAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(OC)cc1 ZINC000251136280 288069232 /nfs/dbraw/zinc/06/92/32/288069232.db2.gz ZJKHMHCYJXGWTD-CWRNSKLLSA-N 2 0 262.397 2.863 10 0 CFAERP Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000228164204 278714976 /nfs/dbraw/zinc/71/49/76/278714976.db2.gz OIVZADUVSWJLAU-QWHCGFSZSA-N 2 0 255.365 2.717 10 0 CFAERP CC[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249414482 281291061 /nfs/dbraw/zinc/29/10/61/281291061.db2.gz VUMNEGCRAFZASS-IKGGRYGDSA-N 2 0 282.472 2.734 10 0 CFAERP C[NH+](C)C[C@@H]1CCC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000503718625 289192682 /nfs/dbraw/zinc/19/26/82/289192682.db2.gz IBZLRHHUCPVRGU-JYJNAYRXSA-N 2 0 250.430 2.696 10 0 CFAERP C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)[C@H]1CCC[NH2+]C1 ZINC000565539767 290307899 /nfs/dbraw/zinc/30/78/99/290307899.db2.gz NZVJDHAWVOLZRD-NXSPZCGBSA-N 2 0 250.430 2.790 10 0 CFAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]21 ZINC000261558976 295309966 /nfs/dbraw/zinc/30/99/66/295309966.db2.gz XOKWCVKIPUHGLU-RFQIPJPRSA-N 2 0 272.383 2.871 10 0 CFAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)COCc1ccccc1 ZINC000389905478 324521559 /nfs/dbraw/zinc/52/15/59/324521559.db2.gz ACQGXPOBNFLWCT-ODIFPOPNSA-N 2 0 276.424 2.699 10 0 CFAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382068 518760181 /nfs/dbraw/zinc/76/01/81/518760181.db2.gz ZOGLEFAAMFWQKS-GJZGRUSLSA-N 2 0 268.445 2.798 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377172 519745241 /nfs/dbraw/zinc/74/52/41/519745241.db2.gz NTSUFUCDSUYFFV-JKSUJKDBSA-N 2 0 268.445 2.512 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181824 519909263 /nfs/dbraw/zinc/90/92/63/519909263.db2.gz VOKWVSYZGVECBM-MRXNPFEDSA-N 2 0 282.472 2.905 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182772 519909326 /nfs/dbraw/zinc/90/93/26/519909326.db2.gz LHZKQDXPQBDEAD-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC)[C@@H](C)CC)CCOCC1 ZINC000052181380 519909353 /nfs/dbraw/zinc/90/93/53/519909353.db2.gz YDIDBLXKGZIHLY-HNNXBMFYSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC)C(C)C)CCOCC1 ZINC000052181316 519909403 /nfs/dbraw/zinc/90/94/03/519909403.db2.gz UDMVGUYZVBSTDP-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CC2CCCCC2)O1 ZINC000052346821 519951532 /nfs/dbraw/zinc/95/15/32/519951532.db2.gz WPHHLDODCQENBA-HOTGVXAUSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH2+]Cc1cc(C[NH+](CC(C)C)CC(C)C)on1 ZINC000052484934 519987842 /nfs/dbraw/zinc/98/78/42/519987842.db2.gz VXYZXTFBELAIKS-UHFFFAOYSA-N 2 0 267.417 2.898 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@H+](CC)C(C)C ZINC000052446794 520009295 /nfs/dbraw/zinc/00/92/95/520009295.db2.gz BMZMJSQLSJHFRJ-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CC[NH2+]Cc1coc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000052420763 520019060 /nfs/dbraw/zinc/01/90/60/520019060.db2.gz LAVQSGUERXLXOI-BETUJISGSA-N 2 0 250.386 2.867 10 0 CFAERP C([NH2+]C1CC1)C1(C[NH+]2CCCCCCC2)CCOCC1 ZINC000052181101 518395847 /nfs/dbraw/zinc/39/58/47/518395847.db2.gz VERANDMICNNZQP-UHFFFAOYSA-N 2 0 280.456 2.801 10 0 CFAERP CC(C)(C)[NH2+]Cc1cc(C[NH+]2CCCCC2)on1 ZINC000052421225 518763406 /nfs/dbraw/zinc/76/34/06/518763406.db2.gz LRVPMURTSDACQM-UHFFFAOYSA-N 2 0 251.374 2.549 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456369 519725058 /nfs/dbraw/zinc/72/50/58/519725058.db2.gz QHCUJABKXFTQGB-KGLIPLIRSA-N 2 0 282.453 2.726 10 0 CFAERP CC(C)[NH2+]Cc1ccc(OCC[N@H+](C)C(C)C)cc1 ZINC000052419602 519727121 /nfs/dbraw/zinc/72/71/21/519727121.db2.gz DEKXLNVWZBENNK-UHFFFAOYSA-N 2 0 264.413 2.904 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)[C@@H]1CCSC1 ZINC000052453499 519743736 /nfs/dbraw/zinc/74/37/36/519743736.db2.gz AMKRZAOKIYAIGI-ZIAGYGMSSA-N 2 0 258.475 2.838 10 0 CFAERP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCCSCC1 ZINC000052371033 519748043 /nfs/dbraw/zinc/74/80/43/519748043.db2.gz MBXXWGSPCOXEII-UHFFFAOYSA-N 2 0 282.453 2.964 10 0 CFAERP CC(C)[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049307626 519791604 /nfs/dbraw/zinc/79/16/04/519791604.db2.gz LLJMGBZJXXRBFE-OAHLLOKOSA-N 2 0 297.487 2.521 10 0 CFAERP CC(C)c1ccc([C@H](O)C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049557345 519840182 /nfs/dbraw/zinc/84/01/82/519840182.db2.gz XUNOLCPFHCTPEB-RHSMWYFYSA-N 2 0 278.440 2.773 10 0 CFAERP CCC[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H](OCCC)C1 ZINC000052371677 519918786 /nfs/dbraw/zinc/91/87/86/519918786.db2.gz RQCBMZJDVXMBSD-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417330 519920157 /nfs/dbraw/zinc/92/01/57/519920157.db2.gz RFVMSYJDKAXCIQ-MRXNPFEDSA-N 2 0 275.440 2.587 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H](C)CC(C)C)O1 ZINC000052572052 519925524 /nfs/dbraw/zinc/92/55/24/519925524.db2.gz YOPWFVSOWUGDCK-JYJNAYRXSA-N 2 0 270.461 2.900 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425076 519938660 /nfs/dbraw/zinc/93/86/60/519938660.db2.gz PKTUGIIYUXDBPR-HZPDHXFCSA-N 2 0 268.445 2.800 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)C2CCCCC2)O1 ZINC000052420133 519952540 /nfs/dbraw/zinc/95/25/40/519952540.db2.gz RBFOZCFVJWSRFV-JKSUJKDBSA-N 2 0 268.445 2.798 10 0 CFAERP CCC[NH2+]Cc1cccc(C[NH+]2CCSCC2)c1 ZINC000052425521 519954526 /nfs/dbraw/zinc/95/45/26/519954526.db2.gz QPSVUXDWJNWBJL-UHFFFAOYSA-N 2 0 264.438 2.735 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424737 519977626 /nfs/dbraw/zinc/97/76/26/519977626.db2.gz HHTCJTQKZLVVEI-SJORKVTESA-N 2 0 276.424 2.584 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)[C@@H](C)CC ZINC000052444129 520008257 /nfs/dbraw/zinc/00/82/57/520008257.db2.gz CXXGESLDXCTQRK-AWEZNQCLSA-N 2 0 264.413 2.905 10 0 CFAERP CC[NH2+]Cc1nc(C[N@@H+]2CCC[C@@H]2CC)cs1 ZINC000052374762 520021556 /nfs/dbraw/zinc/02/15/56/520021556.db2.gz SKTOKSHLAXLYQA-LBPRGKRZSA-N 2 0 253.415 2.627 10 0 CFAERP CCC[NH2+][C@H](CCC)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065022 520069396 /nfs/dbraw/zinc/06/93/96/520069396.db2.gz CHVOLQAESPCSFC-HZPDHXFCSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C2CCCC2)CC1 ZINC000052061390 520092451 /nfs/dbraw/zinc/09/24/51/520092451.db2.gz XUNPFAUGUCRVOQ-ROUUACIJSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C(C)(C)CC)OCCO2 ZINC000069431422 520092991 /nfs/dbraw/zinc/09/29/91/520092991.db2.gz LUZBAUOTWHWHNR-GJZGRUSLSA-N 2 0 298.471 2.771 10 0 CFAERP CCCC[N@H+](C)CCOc1ccccc1C[NH2+]C ZINC000052417967 520410411 /nfs/dbraw/zinc/41/04/11/520410411.db2.gz MQYOLPRHPSWNGR-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CC[NH+](CC)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180681 520583829 /nfs/dbraw/zinc/58/38/29/520583829.db2.gz CNWUMMJZWLWGKV-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000052097385 520631083 /nfs/dbraw/zinc/63/10/83/520631083.db2.gz QKAPCAZXJMVEAE-AEFFLSMTSA-N 2 0 292.467 2.994 10 0 CFAERP CCn1cc[nH+]c1N[C@@H](C)CCC[NH+](CC)CC ZINC000050608299 520640168 /nfs/dbraw/zinc/64/01/68/520640168.db2.gz RLRTVQCQPARDOI-ZDUSSCGKSA-N 2 0 252.406 2.825 10 0 CFAERP CCCCOCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000049261916 520782305 /nfs/dbraw/zinc/78/23/05/520782305.db2.gz IYFVJRQJHMUJMU-HNNXBMFYSA-N 2 0 258.450 2.903 10 0 CFAERP CC[N@H+](CC1(C[NH2+]C(C)C)CCOCC1)C(C)C ZINC000052181318 520938159 /nfs/dbraw/zinc/93/81/59/520938159.db2.gz MDHGWGSKHJBPCC-UHFFFAOYSA-N 2 0 256.434 2.512 10 0 CFAERP CC[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccncc1 ZINC000050953412 521040508 /nfs/dbraw/zinc/04/05/08/521040508.db2.gz HZGYKZIJEJARGF-INIZCTEOSA-N 2 0 261.413 2.826 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000069380882 521256392 /nfs/dbraw/zinc/25/63/92/521256392.db2.gz HBRHDMUIEGVKGA-MRXNPFEDSA-N 2 0 269.477 2.558 10 0 CFAERP CC[NH+]1CCN(Cc2cc(C[NH2+]C(C)(C)C)c(C)o2)CC1 ZINC000052422320 521687481 /nfs/dbraw/zinc/68/74/81/521687481.db2.gz DOQDACOCLGCEJS-UHFFFAOYSA-N 2 0 293.455 2.614 10 0 CFAERP CC[NH+]1CCN([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)CC1 ZINC000052422564 521692532 /nfs/dbraw/zinc/69/25/32/521692532.db2.gz VXDPNIWOJOZVKB-KRWDZBQOSA-N 2 0 289.467 2.753 10 0 CFAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346395 522093896 /nfs/dbraw/zinc/09/38/96/522093896.db2.gz ADVQEQXWYCVPGH-CABCVRRESA-N 2 0 282.815 2.539 10 0 CFAERP C[NH2+]Cc1cccc(OCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000052381371 522133352 /nfs/dbraw/zinc/13/33/52/522133352.db2.gz QOWARMSAIFJUEP-CQSZACIVSA-N 2 0 262.397 2.517 10 0 CFAERP C[NH2+]Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380393 522160743 /nfs/dbraw/zinc/16/07/43/522160743.db2.gz ZQZCNVNCQSMZJF-BETUJISGSA-N 2 0 288.391 2.761 10 0 CFAERP C[NH2+]Cc1oc(C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000052419198 522160959 /nfs/dbraw/zinc/16/09/59/522160959.db2.gz COQZQWUJPWNUEH-UHFFFAOYSA-N 2 0 270.376 2.866 10 0 CFAERP CC[C@H]([NH3+])c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049331742 522347031 /nfs/dbraw/zinc/34/70/31/522347031.db2.gz VYPUOQNINZRHFS-INIZCTEOSA-N 2 0 262.397 2.961 10 0 CFAERP C[NH2+][C@H](C)c1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049331933 522451673 /nfs/dbraw/zinc/45/16/73/522451673.db2.gz JSTIHYYMJPQUPQ-CQSZACIVSA-N 2 0 262.397 2.832 10 0 CFAERP CC[C@@H]([NH3+])Cc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049334173 522645033 /nfs/dbraw/zinc/64/50/33/522645033.db2.gz ORUCXSPHXCZLCX-MRXNPFEDSA-N 2 0 276.424 2.831 10 0 CFAERP COC1CC[NH+](Cc2ccc(C[NH2+]C(C)C)cc2)CC1 ZINC000052455387 522705096 /nfs/dbraw/zinc/70/50/96/522705096.db2.gz FROUAOGVUUPJPK-UHFFFAOYSA-N 2 0 276.424 2.795 10 0 CFAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)[C@H]1CCSC1 ZINC000052453532 522730968 /nfs/dbraw/zinc/73/09/68/522730968.db2.gz IYLBVTJIFPXBSQ-ZDUSSCGKSA-N 2 0 258.475 2.982 10 0 CFAERP C[N@H+](CCCNCCC[NH+]1CCCC1)C1CCCCC1 ZINC000049332520 522771224 /nfs/dbraw/zinc/77/12/24/522771224.db2.gz QMOMUYGJMOGUEP-UHFFFAOYSA-N 2 0 281.488 2.717 10 0 CFAERP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000048927605 523089836 /nfs/dbraw/zinc/08/98/36/523089836.db2.gz LAVZDRQBFAIELC-IRXDYDNUSA-N 2 0 289.467 2.881 10 0 CFAERP CC[C@H]1CCC[N@@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052375140 523107686 /nfs/dbraw/zinc/10/76/86/523107686.db2.gz AZTYZXATBGLIRP-HNNXBMFYSA-N 2 0 262.397 2.659 10 0 CFAERP C[N@@H+](Cc1ccco1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052456889 523437176 /nfs/dbraw/zinc/43/71/76/523437176.db2.gz FCCPUUVYJQYXEN-ZFWWWQNUSA-N 2 0 280.412 2.647 10 0 CFAERP COCC[N@H+](CC(C)C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052508644 523682060 /nfs/dbraw/zinc/68/20/60/523682060.db2.gz VYUVVGMXERZFBK-AWEZNQCLSA-N 2 0 256.434 2.512 10 0 CFAERP C[NH+]1CCC(N2CC(C)(C)[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC000062704303 523767656 /nfs/dbraw/zinc/76/76/56/523767656.db2.gz KCNIPIDVZYYRED-QGZVFWFLSA-N 2 0 287.451 2.506 10 0 CFAERP COc1ccc(C)cc1C[N@H+](CCC[NH3+])C(C)C ZINC000050702682 523810264 /nfs/dbraw/zinc/81/02/64/523810264.db2.gz XSMVJKYOICYFCU-UHFFFAOYSA-N 2 0 250.386 2.563 10 0 CFAERP COc1ccc(C)cc1C[N@H+](CCC[NH3+])CC(C)C ZINC000050702821 523811005 /nfs/dbraw/zinc/81/10/05/523811005.db2.gz UIQRPDMSZNLDAV-UHFFFAOYSA-N 2 0 264.413 2.810 10 0 CFAERP CC[C@H](C)[N@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052444141 523922759 /nfs/dbraw/zinc/92/27/59/523922759.db2.gz HIYQFHKUIVUPIO-ZDUSSCGKSA-N 2 0 250.386 2.515 10 0 CFAERP C[C@H]1CCC[N@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052180806 524085981 /nfs/dbraw/zinc/08/59/81/524085981.db2.gz JPPKNDIZRGINTG-HNNXBMFYSA-N 2 0 282.472 2.903 10 0 CFAERP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149889 524176228 /nfs/dbraw/zinc/17/62/28/524176228.db2.gz LBXAKHAVRIRQOG-MRXNPFEDSA-N 2 0 276.424 2.886 10 0 CFAERP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563668 524219745 /nfs/dbraw/zinc/21/97/45/524219745.db2.gz OBNRLPYTVNJMKM-ZIAGYGMSSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H](C[NH2+]C3CC3)C2)[C@@H]1C ZINC000053012679 524391826 /nfs/dbraw/zinc/39/18/26/524391826.db2.gz LERHHLCVNXCAKI-KQTLUZQSSA-N 2 0 250.430 2.885 10 0 CFAERP C[C@@H](CCC[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052419016 524456710 /nfs/dbraw/zinc/45/67/10/524456710.db2.gz LZNVRKPZOFVKMF-ZDUSSCGKSA-N 2 0 281.831 2.589 10 0 CFAERP Cc1cccc(N2CC[NH+](C[C@H]3CCC[C@@H]3[NH3+])CC2)c1C ZINC000053860152 524558353 /nfs/dbraw/zinc/55/83/53/524558353.db2.gz GILKEHSGZZBAOS-SJORKVTESA-N 2 0 287.451 2.553 10 0 CFAERP Cc1cc(C[NH+]2CCCC2)oc1C[NH2+]CC(C)C ZINC000052377638 524677458 /nfs/dbraw/zinc/67/74/58/524677458.db2.gz TZRHQEIDWKKIEH-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP Cc1cc(CN2CCC[N@@H+](C)CC2)oc1C[NH2+]C(C)(C)C ZINC000052424485 524681921 /nfs/dbraw/zinc/68/19/21/524681921.db2.gz BFNLTZZOUUBUSJ-UHFFFAOYSA-N 2 0 293.455 2.614 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CCC[C@@H]1CCCC[NH2+]1 ZINC000050953488 524746247 /nfs/dbraw/zinc/74/62/47/524746247.db2.gz VKQDNTWCEUZKJT-KGLIPLIRSA-N 2 0 250.386 2.723 10 0 CFAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CC[NH+](C2CCCC2)CC1 ZINC000052060232 524838294 /nfs/dbraw/zinc/83/82/94/524838294.db2.gz IGMQYNINIPSPOD-BBRMVZONSA-N 2 0 293.480 2.697 10 0 CFAERP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CC2)C[C@@H](C)O1 ZINC000052380901 525014536 /nfs/dbraw/zinc/01/45/36/525014536.db2.gz GOKPAMCOSGRJID-ZIAGYGMSSA-N 2 0 274.408 2.548 10 0 CFAERP C[C@@H]1C[C@@H](C[NH+]2CCC(c3nccs3)CC2)CC[NH2+]1 ZINC000335179753 525237169 /nfs/dbraw/zinc/23/71/69/525237169.db2.gz XEVFMVNGRHGOOE-OLZOCXBDSA-N 2 0 279.453 2.711 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccc(C[NH3+])cc1 ZINC000050563649 525638961 /nfs/dbraw/zinc/63/89/61/525638961.db2.gz RQHRUUYXOXXXNY-UONOGXRCSA-N 2 0 262.397 2.645 10 0 CFAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1csc(C[NH3+])n1 ZINC000052546770 526256054 /nfs/dbraw/zinc/25/60/54/526256054.db2.gz IBNJAZRYTLXJIX-JQWIXIFHSA-N 2 0 253.415 2.612 10 0 CFAERP c1cc2c(s1)CC[N@@H+](CCCC[NH2+]C1CC1)C2 ZINC000052382857 526446809 /nfs/dbraw/zinc/44/68/09/526446809.db2.gz XQXKFDFGZVPTGZ-UHFFFAOYSA-N 2 0 250.411 2.638 10 0 CFAERP [NH3+]Cc1ccc(OCC[NH+]2Cc3ccccc3C2)cc1 ZINC000050910503 527257815 /nfs/dbraw/zinc/25/78/15/527257815.db2.gz XVDLTCAETXJASV-UHFFFAOYSA-N 2 0 268.360 2.540 10 0 CFAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423350338 527870411 /nfs/dbraw/zinc/87/04/11/527870411.db2.gz XJHNPCQBQLBWLJ-ZACQAIPSSA-N 2 0 288.435 2.569 10 0 CFAERP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[NH2+]CC1 ZINC000226466980 545499674 /nfs/dbraw/zinc/49/96/74/545499674.db2.gz YOKDBQMJUITVJA-CABCVRRESA-N 2 0 266.429 2.552 10 0 CFAERP [NH3+]C1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000258924939 619089769 /nfs/dbraw/zinc/08/97/69/619089769.db2.gz YREJNHHOCLNNAF-UHFFFAOYSA-N 2 0 297.240 2.851 10 0 CFAERP COc1ccc([C@H](C)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261939894 619335609 /nfs/dbraw/zinc/33/56/09/619335609.db2.gz DNPXACIIDCKWBI-OAHLLOKOSA-N 2 0 288.435 2.874 10 0 CFAERP CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000228536710 623148457 /nfs/dbraw/zinc/14/84/57/623148457.db2.gz QAOCKPFJSTZORK-UIEKQHFFSA-N 2 0 250.430 2.872 10 0 CFAERP CC(C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000212592898 645424690 /nfs/dbraw/zinc/42/46/90/645424690.db2.gz OODWXUFYLRCNAY-IXDOHACOSA-N 2 0 258.409 2.895 10 0 CFAERP CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000252865924 651027690 /nfs/dbraw/zinc/02/76/90/651027690.db2.gz QAOCKPFJSTZORK-XJCPWDRGSA-N 2 0 250.430 2.872 10 0 CFAERP C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccc(C)cc21 ZINC000082509309 178075027 /nfs/dbraw/zinc/07/50/27/178075027.db2.gz YVTRIYOZXQXIJQ-AWEZNQCLSA-N 2 0 260.381 2.502 10 0 CFAERP CC(C)[C@@H]1C[NH2+]C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096950607 185139397 /nfs/dbraw/zinc/13/93/97/185139397.db2.gz QWGFDMSULJILOD-DLBZAZTESA-N 2 0 258.409 2.754 10 0 CFAERP c1ccc2c(C[NH2+]CCC[NH+]3CCCC3)ccnc2c1 ZINC000113650244 347768023 /nfs/dbraw/zinc/76/80/23/347768023.db2.gz VUCBGKVLOLASCC-UHFFFAOYSA-N 2 0 269.392 2.810 10 0 CFAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NCCc3ccccc3)c2)C1 ZINC000114701217 347774440 /nfs/dbraw/zinc/77/44/40/347774440.db2.gz IFSGOMTUIJGDOW-INIZCTEOSA-N 2 0 296.418 2.534 10 0 CFAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2ccc(C)cc2)CC1 ZINC000086848362 179356535 /nfs/dbraw/zinc/35/65/35/179356535.db2.gz GIOVWPVGIPNSRX-QGZVFWFLSA-N 2 0 275.440 2.635 10 0 CFAERP CCc1ccc(N(C)[C@]2(C[NH3+])CCC[N@@H+](CC)CC2)cc1 ZINC000086848316 179356882 /nfs/dbraw/zinc/35/68/82/179356882.db2.gz ZSYAFCLKHBUCLG-GOSISDBHSA-N 2 0 289.467 2.889 10 0 CFAERP C[C@@H]1C[C@H](Nc2cc[nH+]cc2N)C[N@@H+]1Cc1ccccc1 ZINC000306581257 348389923 /nfs/dbraw/zinc/38/99/23/348389923.db2.gz OMTULPYBHFTGNT-HIFRSBDPSA-N 2 0 282.391 2.739 10 0 CFAERP C[NH+](C)CCC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000106383607 186111752 /nfs/dbraw/zinc/11/17/52/186111752.db2.gz YDKCZNIYGZPWNW-GOSISDBHSA-N 2 0 290.451 2.558 10 0 CFAERP Cc1cccc(NCC[C@H]([NH3+])Cc2ccccc2)[nH+]1 ZINC000630574860 355115483 /nfs/dbraw/zinc/11/54/83/355115483.db2.gz VBNVUYLYQHTVOO-HNNXBMFYSA-N 2 0 255.365 2.762 10 0 CFAERP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837204 355600514 /nfs/dbraw/zinc/60/05/14/355600514.db2.gz ONMUUIGKTNQTDH-WZRBSPASSA-N 2 0 252.789 2.928 10 0 CFAERP C[C@H]1C[N@H+](Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000631840191 355603001 /nfs/dbraw/zinc/60/30/01/355603001.db2.gz ADXUYCXNXCKIQY-RYUDHWBXSA-N 2 0 260.406 2.928 10 0 CFAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000179515878 189198852 /nfs/dbraw/zinc/19/88/52/189198852.db2.gz IXDFTCSEFYIEQW-ZDUSSCGKSA-N 2 0 296.480 2.581 10 0 CFAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390914351 540985515 /nfs/dbraw/zinc/98/55/15/540985515.db2.gz SDOBNXXDEYJYOG-NWDGAFQWSA-N 2 0 260.372 2.790 10 0 CFAERP [NH3+]C1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000094075444 375340495 /nfs/dbraw/zinc/34/04/95/375340495.db2.gz BMPXKLKUJLDJHT-UHFFFAOYSA-N 2 0 254.418 2.585 10 0 CFAERP C[C@@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000104417446 375783374 /nfs/dbraw/zinc/78/33/74/375783374.db2.gz XTYNSFHEMGWCHD-CHWSQXEVSA-N 2 0 255.365 2.798 10 0 CFAERP CCSCC[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000119286115 376385052 /nfs/dbraw/zinc/38/50/52/376385052.db2.gz RFLGVZZHPQTBMF-ZDUSSCGKSA-N 2 0 267.442 2.836 10 0 CFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(C)nc(C2CC2)n1 ZINC000174924616 379962883 /nfs/dbraw/zinc/96/28/83/379962883.db2.gz LZXWPGFSQUHTML-LSDHHAIUSA-N 2 0 286.423 2.725 10 0 CFAERP C[C@H]([NH2+]Cc1cc(Br)cs1)[C@H]1CC[NH2+]C1 ZINC000400473336 380862371 /nfs/dbraw/zinc/86/23/71/380862371.db2.gz YVZSUGYTHIKXNO-IUCAKERBSA-N 2 0 289.242 2.598 10 0 CFAERP C[C@H]1CCC[C@H](C)[NH+]1CCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085239147 184606936 /nfs/dbraw/zinc/60/69/36/184606936.db2.gz REIIOFHUYXJNKU-DZKIICNBSA-N 2 0 268.445 2.533 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)cc(Br)cc1F ZINC000575438566 382771040 /nfs/dbraw/zinc/77/10/40/382771040.db2.gz KWLJDJZLSTWLSO-SNVBAGLBSA-N 2 0 293.155 2.856 10 0 CFAERP [NH3+]CC[C@H]([NH3+])c1c(Cl)cccc1C(F)(F)F ZINC000575439773 382771465 /nfs/dbraw/zinc/77/14/65/382771465.db2.gz YDNLWYNMQLMFLR-QMMMGPOBSA-N 2 0 252.667 2.707 10 0 CFAERP [NH3+]CCC[C@H]([NH3+])c1cc(Br)ccc1Cl ZINC000575440075 382771755 /nfs/dbraw/zinc/77/17/55/382771755.db2.gz IMZSNPGOESCFDQ-JTQLQIEISA-N 2 0 277.593 2.841 10 0 CFAERP CN(Cc1csc(-c2ccco2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231454502 382865170 /nfs/dbraw/zinc/86/51/70/382865170.db2.gz MGMAXTWAHPCIQF-CYBMUJFWSA-N 2 0 291.420 2.977 10 0 CFAERP C[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247399395 383170134 /nfs/dbraw/zinc/17/01/34/383170134.db2.gz YGKRNQIXJCVJIC-JKSUJKDBSA-N 2 0 290.451 2.772 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569093366 383467005 /nfs/dbraw/zinc/46/70/05/383467005.db2.gz LXOFYPZOXCLIGC-NUJGCVRESA-N 2 0 290.451 2.960 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)C[C@@H]12 ZINC000261624305 383531051 /nfs/dbraw/zinc/53/10/51/383531051.db2.gz VCLIHZFMZQPKPM-DZUCGIPZSA-N 2 0 256.393 2.733 10 0 CFAERP CCc1csc([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261961738 383586786 /nfs/dbraw/zinc/58/67/86/383586786.db2.gz HJJJVDPGBCSJPS-XJKSGUPXSA-N 2 0 293.480 2.885 10 0 CFAERP CCOCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000573305626 383907287 /nfs/dbraw/zinc/90/72/87/383907287.db2.gz FFPUXHUSOPFWOH-LSDHHAIUSA-N 2 0 276.424 2.701 10 0 CFAERP Cc1cc(N2CCC(C)([NH3+])CC2)c2ccccc2[nH+]1 ZINC000643028911 384478390 /nfs/dbraw/zinc/47/83/90/384478390.db2.gz BHLVTJKTSCPJOM-UHFFFAOYSA-N 2 0 255.365 2.861 10 0 CFAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CC(F)(F)F ZINC000643495102 384661880 /nfs/dbraw/zinc/66/18/80/384661880.db2.gz JGMJHVNYULQNAL-GARJFASQSA-N 2 0 252.324 2.553 10 0 CFAERP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000094074950 184754152 /nfs/dbraw/zinc/75/41/52/184754152.db2.gz JXXSDWGNBPYYFJ-UHFFFAOYSA-N 3 0 289.467 2.888 10 0 CFAERP C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000400685309 393600848 /nfs/dbraw/zinc/60/08/48/393600848.db2.gz XXCSKWSWZYQURK-XKGSQUFQSA-N 2 0 264.335 2.838 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCSc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400395359 393601556 /nfs/dbraw/zinc/60/15/56/393601556.db2.gz JHOACQRSLRFAKI-OUCADQQQSA-N 2 0 262.422 2.811 10 0 CFAERP C[C@@H](CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263406 393686440 /nfs/dbraw/zinc/68/64/40/393686440.db2.gz ZEUFEDKGNARNQM-FUHWJXTLSA-N 2 0 290.451 2.617 10 0 CFAERP CC[NH+](CC)CCCC1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000118980982 393912431 /nfs/dbraw/zinc/91/24/31/393912431.db2.gz RBKKFNNPEZLRAS-KRWDZBQOSA-N 2 0 284.488 2.981 10 0 CFAERP CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245958038 393841329 /nfs/dbraw/zinc/84/13/29/393841329.db2.gz XQACSMCCTPLIMX-QBPKDAKJSA-N 2 0 294.483 2.900 10 0 CFAERP CC(C)(C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000647512611 395367518 /nfs/dbraw/zinc/36/75/18/395367518.db2.gz IRJSETZHOHMZRQ-CWRNSKLLSA-N 2 0 258.409 2.633 10 0 CFAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000394672154 397551050 /nfs/dbraw/zinc/55/10/50/397551050.db2.gz SYROLCSNAWKLJP-OLZOCXBDSA-N 2 0 260.372 2.873 10 0 CFAERP CC1(C)CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000657326336 413449022 /nfs/dbraw/zinc/44/90/22/413449022.db2.gz PCTFHGDALDVWFJ-HOTGVXAUSA-N 2 0 282.472 2.782 10 0 CFAERP C[NH2+][C@H](C)Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000006852888 170249242 /nfs/dbraw/zinc/24/92/42/170249242.db2.gz OOXCCSGQAGHINY-OAHLLOKOSA-N 2 0 276.424 2.702 10 0 CFAERP COc1cccc([C@H](CCC[NH3+])[NH+]2CCCCC2)c1 ZINC000019674193 170836412 /nfs/dbraw/zinc/83/64/12/170836412.db2.gz WASKYJZKPMHHPY-INIZCTEOSA-N 2 0 262.397 2.961 10 0 CFAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179658 171044016 /nfs/dbraw/zinc/04/40/16/171044016.db2.gz HLLVJDUVLBBDQM-INIZCTEOSA-N 2 0 295.858 2.613 10 0 CFAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020179618 171044174 /nfs/dbraw/zinc/04/41/74/171044174.db2.gz CMGREOPSMIWNDP-INIZCTEOSA-N 2 0 295.858 2.613 10 0 CFAERP [NH3+]C[C@@H](c1cccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225353 171087685 /nfs/dbraw/zinc/08/76/85/171087685.db2.gz ITQRRJWQLLUFIZ-HNNXBMFYSA-N 2 0 293.480 2.556 10 0 CFAERP [NH2+]=C1CCCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000020443981 171205898 /nfs/dbraw/zinc/20/58/98/171205898.db2.gz RXMCPTVEFJBAAQ-UHFFFAOYSA-N 2 0 257.381 2.724 10 0 CFAERP COC(C)(C)C[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020524762 171237929 /nfs/dbraw/zinc/23/79/29/171237929.db2.gz OYDRKTKLOMHGPU-GJZGRUSLSA-N 2 0 270.461 2.900 10 0 CFAERP CC1CC[NH+](CCCC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000022153374 171360893 /nfs/dbraw/zinc/36/08/93/171360893.db2.gz YFWPPSQHWQMLHD-UHFFFAOYSA-N 2 0 289.423 2.596 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000035151099 172014359 /nfs/dbraw/zinc/01/43/59/172014359.db2.gz DICNHUMUPPORJP-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP Cc1ccc(C[N@@H+](C)[C@@H]2CCCCC[C@@H]2C[NH3+])o1 ZINC000035699117 172366578 /nfs/dbraw/zinc/36/65/78/172366578.db2.gz DTNZYGZWXXJESD-UKRRQHHQSA-N 2 0 250.386 2.927 10 0 CFAERP COc1ccccc1N(CCC[NH3+])c1cc[nH+]cc1 ZINC000037298321 173102436 /nfs/dbraw/zinc/10/24/36/173102436.db2.gz HBGHQAKINGLZOZ-UHFFFAOYSA-N 2 0 257.337 2.577 10 0 CFAERP CCc1cccc2c(C[NH+]3CCC([NH3+])CC3)c[nH]c21 ZINC000037536392 173255107 /nfs/dbraw/zinc/25/51/07/173255107.db2.gz YJZLQHMFYMAJQS-UHFFFAOYSA-N 2 0 257.381 2.653 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H]1CC[NH2+]C1 ZINC000656201287 414533935 /nfs/dbraw/zinc/53/39/35/414533935.db2.gz OCXXMWZLGRMGFB-LOWVWBTDSA-N 2 0 260.372 2.788 10 0 CFAERP C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H]1CC[NH2+]C1 ZINC000656201285 414534300 /nfs/dbraw/zinc/53/43/00/414534300.db2.gz OCXXMWZLGRMGFB-GMXVVIOVSA-N 2 0 260.372 2.788 10 0 CFAERP C[C@@H]([NH3+])c1c(F)cccc1OCC[NH+]1CCCCC1 ZINC000040240256 174212737 /nfs/dbraw/zinc/21/27/37/174212737.db2.gz LCAULAOFAWGLKV-GFCCVEGCSA-N 2 0 266.360 2.710 10 0 CFAERP [NH3+]C[C@@H](c1ccsc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693849 174377774 /nfs/dbraw/zinc/37/77/74/174377774.db2.gz WSRCCYFMPPFNGO-INIZCTEOSA-N 2 0 293.480 2.698 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccc(O)cc2)C1 ZINC000040735915 174389142 /nfs/dbraw/zinc/38/91/42/174389142.db2.gz QHNUSNYQGXYVTC-GDBMZVCRSA-N 2 0 276.424 2.645 10 0 CFAERP CCN(Cc1ccccc1OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747470 174392590 /nfs/dbraw/zinc/39/25/90/174392590.db2.gz BCNZIYNSPLOTGI-XYPWUTKMSA-N 2 0 274.408 2.800 10 0 CFAERP COc1ccccc1C[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749444 174393535 /nfs/dbraw/zinc/39/35/35/174393535.db2.gz UHMTVZAMTPDOBS-WWTUQBGBSA-N 2 0 274.408 2.580 10 0 CFAERP CC[C@@H](c1ccc(O)cc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749319 174393738 /nfs/dbraw/zinc/39/37/38/174393738.db2.gz WLJBAZCBWJFVRC-HUORLRHWSA-N 2 0 260.381 2.797 10 0 CFAERP Cc1ccc([C@H](N)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000042392805 174707411 /nfs/dbraw/zinc/70/74/11/174707411.db2.gz RKEWAIKTDCXOGP-GOSISDBHSA-N 2 0 289.467 2.577 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000042615869 174828640 /nfs/dbraw/zinc/82/86/40/174828640.db2.gz DTNVIQVACLXBSJ-INIZCTEOSA-N 2 0 295.858 2.756 10 0 CFAERP CCC1CCC(C[NH3+])(N(C)C2CC[NH+](CC)CC2)CC1 ZINC000042615745 174828800 /nfs/dbraw/zinc/82/88/00/174828800.db2.gz MYJAGBOTXZIKBQ-UHFFFAOYSA-N 2 0 281.488 2.700 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)N1CCC([NH+](C)C)CC1 ZINC000042914463 174912764 /nfs/dbraw/zinc/91/27/64/174912764.db2.gz RUJVEDHFYQAQDI-MSOLQXFVSA-N 2 0 289.467 2.799 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCC([NH+](C)C)CC1 ZINC000042971876 174934909 /nfs/dbraw/zinc/93/49/09/174934909.db2.gz KECNXJACQKIKCC-DLBZAZTESA-N 2 0 293.430 2.630 10 0 CFAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390169 175033865 /nfs/dbraw/zinc/03/38/65/175033865.db2.gz MLRXOCGXZXFDBJ-OAHLLOKOSA-N 2 0 299.821 2.507 10 0 CFAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390349 175033937 /nfs/dbraw/zinc/03/39/37/175033937.db2.gz ZPHCUOUCMACACS-HNNXBMFYSA-N 2 0 299.821 2.505 10 0 CFAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)c1 ZINC000043394454 175034967 /nfs/dbraw/zinc/03/49/67/175034967.db2.gz XJTVJIBZSJQYTN-GOSISDBHSA-N 2 0 289.467 2.577 10 0 CFAERP c1cc2c(s1)CC[N@@H+](CCC[C@H]1CCC[NH2+]C1)C2 ZINC000043591721 175073819 /nfs/dbraw/zinc/07/38/19/175073819.db2.gz YVTDDOOBJBAPEC-CYBMUJFWSA-N 2 0 264.438 2.886 10 0 CFAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccc(C)cc2C)CC1 ZINC000043805344 175107395 /nfs/dbraw/zinc/10/73/95/175107395.db2.gz LMIPSRGEADRWOX-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@H](c1ccccc1)[C@H](CC)N1CC[NH+](C)CC1 ZINC000043811073 175110437 /nfs/dbraw/zinc/11/04/37/175110437.db2.gz MMZZCIHYZVLKRV-ZWKOTPCHSA-N 2 0 289.467 2.753 10 0 CFAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000043815225 175111721 /nfs/dbraw/zinc/11/17/21/175111721.db2.gz PYXBIPVFIOBXRP-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP CCC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1 ZINC000043818506 175112814 /nfs/dbraw/zinc/11/28/14/175112814.db2.gz AXSKLZUKWDKXBF-GOSISDBHSA-N 2 0 289.467 2.673 10 0 CFAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1C ZINC000043818397 175112990 /nfs/dbraw/zinc/11/29/90/175112990.db2.gz XDMKZEGDLGSJAJ-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818405 175113066 /nfs/dbraw/zinc/11/30/66/175113066.db2.gz AJNVEHSOZKPVDA-SJLPKXTDSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818411 175113181 /nfs/dbraw/zinc/11/31/81/175113181.db2.gz AJNVEHSOZKPVDA-WMZOPIPTSA-N 2 0 289.467 2.672 10 0 CFAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(C(C)C)cc1 ZINC000043818223 175113217 /nfs/dbraw/zinc/11/32/17/175113217.db2.gz JWROMHQSFLWJSE-GOSISDBHSA-N 2 0 289.467 2.708 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+]C)cc1C[N@H+](C)CC ZINC000043820226 175113685 /nfs/dbraw/zinc/11/36/85/175113685.db2.gz FAYATGTYWCLTEX-LBPRGKRZSA-N 2 0 250.386 2.817 10 0 CFAERP CC[N@H+](Cc1cc([C@H](C)[NH2+]C)ccc1OC)C1CC1 ZINC000043821579 175114553 /nfs/dbraw/zinc/11/45/53/175114553.db2.gz RVOMFDSKKNZSGW-LBPRGKRZSA-N 2 0 262.397 2.960 10 0 CFAERP CCC[N@H+](C)Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043886004 175117040 /nfs/dbraw/zinc/11/70/40/175117040.db2.gz MVCPBNPBKOLUMO-GFCCVEGCSA-N 2 0 250.386 2.817 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000043897150 175120141 /nfs/dbraw/zinc/12/01/41/175120141.db2.gz TZGKDTPKNVJRQE-GOSISDBHSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897526 175120347 /nfs/dbraw/zinc/12/03/47/175120347.db2.gz ZTSKSTUEOJCDSE-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000043908448 175123484 /nfs/dbraw/zinc/12/34/84/175123484.db2.gz JGLMPPKRFQKUEG-CHWSQXEVSA-N 2 0 262.397 2.817 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965580 175126911 /nfs/dbraw/zinc/12/69/11/175126911.db2.gz WHBVBYXMFWVCMT-HOTGVXAUSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965718 175127061 /nfs/dbraw/zinc/12/70/61/175127061.db2.gz ZXOIDKOYNOQZJX-JKSUJKDBSA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965479 175127116 /nfs/dbraw/zinc/12/71/16/175127116.db2.gz BIHSFGNXEQOOLX-HOTGVXAUSA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965481 175127205 /nfs/dbraw/zinc/12/72/05/175127205.db2.gz BIHSFGNXEQOOLX-HZPDHXFCSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@H](CC)[C@@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000043978503 175133296 /nfs/dbraw/zinc/13/32/96/175133296.db2.gz IJQLPJBUXFENIR-GDBMZVCRSA-N 2 0 269.477 2.569 10 0 CFAERP CCC(CC)[N@H+](CCOC)[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000043977018 175133726 /nfs/dbraw/zinc/13/37/26/175133726.db2.gz YMCLIGFRARCTDS-LSDHHAIUSA-N 2 0 256.434 2.654 10 0 CFAERP CC[NH2+][C@@H](CN(CC[NH+](C)C)CC(C)C)c1ccccc1 ZINC000043982150 175133988 /nfs/dbraw/zinc/13/39/88/175133988.db2.gz ZZLXPYHMUIUCJD-SFHVURJKSA-N 2 0 291.483 2.857 10 0 CFAERP C[NH2+][C@@H](CN(CC[NH+](C)C)CC(C)C)c1ccc(C)cc1 ZINC000043981962 175134349 /nfs/dbraw/zinc/13/43/49/175134349.db2.gz LSVUUFSRXWLBHP-SFHVURJKSA-N 2 0 291.483 2.775 10 0 CFAERP CCn1cc(C[NH+]2CCC(C[NH3+])CC2)c2ccccc21 ZINC000044512278 175188319 /nfs/dbraw/zinc/18/83/19/175188319.db2.gz YUHXSFYZFFXELR-UHFFFAOYSA-N 2 0 271.408 2.832 10 0 CFAERP CC[C@H](c1ccc(OC)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512071 175188423 /nfs/dbraw/zinc/18/84/23/175188423.db2.gz UJHFSGAJZHPVCU-MRXNPFEDSA-N 2 0 262.397 2.817 10 0 CFAERP C[N@@H+]1CCCC[C@@H]1Cn1c(N)[nH+]c2cccc(Cl)c21 ZINC000044563653 175206575 /nfs/dbraw/zinc/20/65/75/175206575.db2.gz OFQLYUKXMLNCFX-SNVBAGLBSA-N 2 0 278.787 2.756 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCCCOC)CC1 ZINC000044657002 175225803 /nfs/dbraw/zinc/22/58/03/175225803.db2.gz GTYMNSRUIKLYKP-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CCCCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045388027 175373724 /nfs/dbraw/zinc/37/37/24/175373724.db2.gz GNZLVILICTWHKN-MRXNPFEDSA-N 2 0 285.476 2.521 10 0 CFAERP COC(=O)[C@@](C)([NH3+])CCCC[NH+](CC(C)C)CC(C)C ZINC000045420389 175378858 /nfs/dbraw/zinc/37/88/58/175378858.db2.gz ILJAPQKAZNPUFP-INIZCTEOSA-N 2 0 286.460 2.661 10 0 CFAERP C[C@H](Cc1cccs1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071271965 176104863 /nfs/dbraw/zinc/10/48/63/176104863.db2.gz DEGGCTBWVLNLRG-ODWCKFRGSA-N 2 0 250.411 2.633 10 0 CFAERP C[N@H+](CCNC1=[NH+]C2(CCCC2)CS1)C1CCCC1 ZINC000071377744 176142795 /nfs/dbraw/zinc/14/27/95/176142795.db2.gz GXMWOQSRQKPFKK-UHFFFAOYSA-N 2 0 281.469 2.866 10 0 CFAERP C[C@@H]1C[N@H+](CCC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000071402079 176153712 /nfs/dbraw/zinc/15/37/12/176153712.db2.gz NKPQCEHGFGYAMR-ZBFHGGJFSA-N 2 0 262.397 2.577 10 0 CFAERP C[N@H+](CCC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000071401682 176153806 /nfs/dbraw/zinc/15/38/06/176153806.db2.gz FSJKCCFUIULELL-HUUCEWRRSA-N 2 0 264.438 2.904 10 0 CFAERP C[C@@H]([NH3+])[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390686223 262240751 /nfs/dbraw/zinc/24/07/51/262240751.db2.gz YAPZCXHTYXLPFD-ODLRDIKDSA-N 2 0 287.451 2.507 10 0 CFAERP CC[NH+](CC)CCCC1CC[NH+](CC(C)(C)O)CC1 ZINC000182734796 262251408 /nfs/dbraw/zinc/25/14/08/262251408.db2.gz JTKJRYIGGRTQAE-UHFFFAOYSA-N 2 0 270.461 2.591 10 0 CFAERP Cc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000311974465 270289230 /nfs/dbraw/zinc/28/92/30/270289230.db2.gz LMSMJIVNCRLIQU-KBRIMQKVSA-N 2 0 258.409 2.899 10 0 CFAERP CC[NH+](CC)[C@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000133531160 279165395 /nfs/dbraw/zinc/16/53/95/279165395.db2.gz OIYVRLCHUMXZBZ-QZTJIDSGSA-N 2 0 289.467 2.801 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@H]1CC[NH2+]C1 ZINC000400406217 279510681 /nfs/dbraw/zinc/51/06/81/279510681.db2.gz RUKHCRDJRYDHPB-GMXVVIOVSA-N 2 0 250.411 2.713 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000248443318 281022296 /nfs/dbraw/zinc/02/22/96/281022296.db2.gz BBQUBXNYWVOFES-RYRKJORJSA-N 2 0 296.499 2.837 10 0 CFAERP CC(C)CC[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197846 519651043 /nfs/dbraw/zinc/65/10/43/519651043.db2.gz AKPDGGXZTZQQOU-UHFFFAOYSA-N 2 0 270.461 2.759 10 0 CFAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000052180797 519719983 /nfs/dbraw/zinc/71/99/83/519719983.db2.gz UXQOJTGCKMKEKD-OAHLLOKOSA-N 2 0 268.445 2.513 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503373 519743586 /nfs/dbraw/zinc/74/35/86/519743586.db2.gz DIWBTIGKUUTOMK-QGZVFWFLSA-N 2 0 285.520 2.920 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCSC)C1 ZINC000069434243 519853568 /nfs/dbraw/zinc/85/35/68/519853568.db2.gz XVOKBMPJASPGPT-KGLIPLIRSA-N 2 0 258.475 2.840 10 0 CFAERP CCCC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]CC)O2)CC1 ZINC000052374064 519901702 /nfs/dbraw/zinc/90/17/02/519901702.db2.gz HQYDZLQTZKCBQX-HOTGVXAUSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[NH2+]CCCCC[N@H+](C)CCc1ccccn1 ZINC000052423943 519912271 /nfs/dbraw/zinc/91/22/71/519912271.db2.gz KPGAJRFSUFZEQV-UHFFFAOYSA-N 2 0 263.429 2.726 10 0 CFAERP CCC[NH2+]CCC[C@H](C)OCC[C@H]1CCC[N@@H+]1C ZINC000052673530 519913386 /nfs/dbraw/zinc/91/33/86/519913386.db2.gz ZLKHIURTUZJFIU-LSDHHAIUSA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCC(C)CC2)O1 ZINC000052345453 519950256 /nfs/dbraw/zinc/95/02/56/519950256.db2.gz FFTJRPYKSYDJON-CKUJCDMFSA-N 2 0 268.445 2.654 10 0 CFAERP CCCN(CC[NH+](C)C)c1ccc(Cl)cc1C[NH3+] ZINC000052857646 521658617 /nfs/dbraw/zinc/65/86/17/521658617.db2.gz IGGYOEOIQPZERE-UHFFFAOYSA-N 2 0 269.820 2.577 10 0 CFAERP CC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052444124 522063974 /nfs/dbraw/zinc/06/39/74/522063974.db2.gz SHLPYDULHYFBGR-GFCCVEGCSA-N 2 0 253.390 2.651 10 0 CFAERP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425088 518397784 /nfs/dbraw/zinc/39/77/84/518397784.db2.gz JRDRHFJDUGESLT-CVEARBPZSA-N 2 0 266.429 2.552 10 0 CFAERP CC(C)(C)C1CC[NH+](Cc2cc(C[NH3+])co2)CC1 ZINC000052373635 518608329 /nfs/dbraw/zinc/60/83/29/518608329.db2.gz WKFJWGMLRMYVCW-UHFFFAOYSA-N 2 0 250.386 2.996 10 0 CFAERP CC(C)(C)[NH2+]Cc1cc(C[N@@H+]2CCCSCC2)on1 ZINC000052371068 518763190 /nfs/dbraw/zinc/76/31/90/518763190.db2.gz GIPLBFUFKGPCFR-UHFFFAOYSA-N 2 0 283.441 2.502 10 0 CFAERP CC(C)[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180883 519615215 /nfs/dbraw/zinc/61/52/15/519615215.db2.gz BWTRBCPIYJXZAW-UHFFFAOYSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)CC[N@H+](C)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000051259746 519650589 /nfs/dbraw/zinc/65/05/89/519650589.db2.gz IVZNZECFRMPNMM-MRXNPFEDSA-N 2 0 270.461 2.759 10 0 CFAERP CC(C)C[NH+](CC(C)C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052485052 519713159 /nfs/dbraw/zinc/71/31/59/519713159.db2.gz FXAMAFNSJFWDAD-SJORKVTESA-N 2 0 282.472 2.900 10 0 CFAERP CC(C)C[NH+](Cc1csc(C[NH3+])n1)CC(C)C ZINC000052484957 519718638 /nfs/dbraw/zinc/71/86/38/519718638.db2.gz WUZHIYJVONAGHD-UHFFFAOYSA-N 2 0 255.431 2.716 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181783 519719487 /nfs/dbraw/zinc/71/94/87/519719487.db2.gz KTFNFSWKIFDVRP-AWEZNQCLSA-N 2 0 268.445 2.512 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457400 519725425 /nfs/dbraw/zinc/72/54/25/519725425.db2.gz XVANJICQIABFPW-CABCVRRESA-N 2 0 282.453 2.726 10 0 CFAERP CC(C)C[NH2+]CC1(C[NH+]2CCCCC2)CCOCC1 ZINC000052180897 519743019 /nfs/dbraw/zinc/74/30/19/519743019.db2.gz QESORLRFRZIQPL-UHFFFAOYSA-N 2 0 268.445 2.515 10 0 CFAERP CC(C)C[NH2+]CCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380756 519743344 /nfs/dbraw/zinc/74/33/44/519743344.db2.gz ZMSPNYITAFDJTA-HUUCEWRRSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000052476624 519743699 /nfs/dbraw/zinc/74/36/99/519743699.db2.gz BDLJDQYTGMMHSG-ZNMIVQPWSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823157 519745158 /nfs/dbraw/zinc/74/51/58/519745158.db2.gz SPACOVBYHUCNFD-JKSUJKDBSA-N 2 0 282.472 2.902 10 0 CFAERP CC(C)C[NH2+]Cc1occc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484701 519749334 /nfs/dbraw/zinc/74/93/34/519749334.db2.gz VVBMWLMSIYDILH-ZDUSSCGKSA-N 2 0 250.386 2.867 10 0 CFAERP CCCC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052374089 519901533 /nfs/dbraw/zinc/90/15/33/519901533.db2.gz ALZWXHWXFJGGHJ-IRXDYDNUSA-N 2 0 280.456 2.798 10 0 CFAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)COCC ZINC000054602833 519907885 /nfs/dbraw/zinc/90/78/85/519907885.db2.gz VWFVAUDQAOXOFB-HNSVSWJLSA-N 2 0 268.445 2.797 10 0 CFAERP CCC[NH2+]CC1(C[NH+]2CCC(C)CC2)CCOCC1 ZINC000052180630 519910224 /nfs/dbraw/zinc/91/02/24/519910224.db2.gz BNVQGAJLXFUQQR-UHFFFAOYSA-N 2 0 268.445 2.515 10 0 CFAERP CC[NH2+]CC1(C[NH+]2CCC(CC)CC2)CCOCC1 ZINC000052197889 519912495 /nfs/dbraw/zinc/91/24/95/519912495.db2.gz YKPUTRCYMQXKAE-UHFFFAOYSA-N 2 0 268.445 2.515 10 0 CFAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418221 519919728 /nfs/dbraw/zinc/91/97/28/519919728.db2.gz FBIRSAGXWARTIP-OAHLLOKOSA-N 2 0 293.430 2.726 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C(C)(C)CC)O1 ZINC000069448468 519924627 /nfs/dbraw/zinc/92/46/27/519924627.db2.gz QJRQVBCXCJGVCE-UONOGXRCSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(C)o2)O1 ZINC000052455895 519925158 /nfs/dbraw/zinc/92/51/58/519925158.db2.gz NDVIVAZXUOPQMO-GOEBONIOSA-N 2 0 280.412 2.567 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)[C@@H](C)CC)O1 ZINC000052451473 519936674 /nfs/dbraw/zinc/93/66/74/519936674.db2.gz VWKWJIQBBCBVFE-ZNMIVQPWSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374511 519940573 /nfs/dbraw/zinc/94/05/73/519940573.db2.gz JUHYVKXMYCZHGA-IAGOWNOFSA-N 2 0 274.408 2.549 10 0 CFAERP CC[NH2+]C[C@@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000053010410 519950781 /nfs/dbraw/zinc/95/07/81/519950781.db2.gz CNVILRANSLOECY-SIGVMEELSA-N 2 0 262.441 2.887 10 0 CFAERP CCC[NH2+]Cc1cccc(OCC[N@H+](C)CC)c1 ZINC000052446097 519955291 /nfs/dbraw/zinc/95/52/91/519955291.db2.gz JQUPOKSAZAAUKM-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CC[NH2+]C[C@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000053010412 519975733 /nfs/dbraw/zinc/97/57/33/519975733.db2.gz CNVILRANSLOECY-CWJHNBGESA-N 2 0 262.441 2.887 10 0 CFAERP CC[NH2+]Cc1ccc(C[N@H+](CCN(C)C)CC(C)C)cc1 ZINC000052503385 519996621 /nfs/dbraw/zinc/99/66/21/519996621.db2.gz DHAOUKDKXHIXGP-UHFFFAOYSA-N 2 0 291.483 2.816 10 0 CFAERP CC[NH2+]Cc1ccoc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420571 520013912 /nfs/dbraw/zinc/01/39/12/520013912.db2.gz LOGYCMYXFRRXOU-BETUJISGSA-N 2 0 250.386 2.867 10 0 CFAERP CCC[NH2+][C@H](CCC)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065018 520070197 /nfs/dbraw/zinc/07/01/97/520070197.db2.gz CHVOLQAESPCSFC-JKSUJKDBSA-N 2 0 269.477 2.571 10 0 CFAERP CC[N@@H+](Cc1cc(C[NH2+]CC(C)C)no1)CC(C)C ZINC000052449678 521290556 /nfs/dbraw/zinc/29/05/56/521290556.db2.gz VTYYWELRPZPOEO-UHFFFAOYSA-N 2 0 267.417 2.898 10 0 CFAERP CCC(C)(C)[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429391 521309449 /nfs/dbraw/zinc/30/94/49/521309449.db2.gz NLPHNDLERPUERQ-LBPRGKRZSA-N 2 0 277.412 2.593 10 0 CFAERP CCC[N@H+](C)CCOc1ccccc1C[NH2+]C(C)C ZINC000052444496 521484238 /nfs/dbraw/zinc/48/42/38/521484238.db2.gz XFONLPUEDFTQHS-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCC[NH+](CCC)C[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052416871 521648090 /nfs/dbraw/zinc/64/80/90/521648090.db2.gz UETDTVULSJQIGV-HZPDHXFCSA-N 2 0 270.461 2.902 10 0 CFAERP CCc1ccccc1[C@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000052203703 521952885 /nfs/dbraw/zinc/95/28/85/521952885.db2.gz MJRCCTIOFCHKBG-KRWDZBQOSA-N 2 0 289.467 2.665 10 0 CFAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)Cc1ccsc1 ZINC000054629405 521955370 /nfs/dbraw/zinc/95/53/70/521955370.db2.gz VZBRQHIWLRNSKU-JZIBPQBNSA-N 2 0 264.438 2.894 10 0 CFAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418948 521999741 /nfs/dbraw/zinc/99/97/41/521999741.db2.gz YDZVPNCMAKSGJF-INIZCTEOSA-N 2 0 275.440 2.505 10 0 CFAERP C[NH2+]Cc1cc(C)c(OCCC[NH+]2CCCC2)c(C)c1 ZINC000049331784 522104487 /nfs/dbraw/zinc/10/44/87/522104487.db2.gz FEZWGAGWPAAVFB-UHFFFAOYSA-N 2 0 276.424 2.888 10 0 CFAERP C[NH2+]Cc1cc(C[NH+]2CCC(C(C)(C)C)CC2)on1 ZINC000052373617 522108537 /nfs/dbraw/zinc/10/85/37/522108537.db2.gz CRWUYLZJCPXNOF-UHFFFAOYSA-N 2 0 265.401 2.652 10 0 CFAERP C[NH2+]Cc1ccc(OCC[NH+]2Cc3ccccc3C2)cc1 ZINC000052374393 522122552 /nfs/dbraw/zinc/12/25/52/522122552.db2.gz MQXSFFDBGLWNAJ-UHFFFAOYSA-N 2 0 282.387 2.801 10 0 CFAERP C[NH2+]Cc1oc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000052373525 522160647 /nfs/dbraw/zinc/16/06/47/522160647.db2.gz YENPHMFHLWGXIP-YPMHNXCESA-N 2 0 250.386 2.928 10 0 CFAERP C[NH2+]Cc1oc2ccccc2c1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380397 522162158 /nfs/dbraw/zinc/16/21/58/522162158.db2.gz ZQZCNVNCQSMZJF-CHWSQXEVSA-N 2 0 288.391 2.761 10 0 CFAERP C[NH2+]Cc1oc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000052420956 522162349 /nfs/dbraw/zinc/16/23/49/522162349.db2.gz CXXQXVFNVORKDN-VXGBXAGGSA-N 2 0 250.386 2.785 10 0 CFAERP CC[C@H](C[NH2+]CC(C)C)OCC[NH+]1CCCCC1 ZINC000052670709 522194798 /nfs/dbraw/zinc/19/47/98/522194798.db2.gz FMFDJPKAGUQOPB-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP C[NH2+][C@@H](C)c1ccccc1OCCC[NH+]1CCCC1 ZINC000049331907 522338419 /nfs/dbraw/zinc/33/84/19/522338419.db2.gz HLMWRERAEPMXDD-AWEZNQCLSA-N 2 0 262.397 2.832 10 0 CFAERP CN(CCC[NH2+]CCC[NH+]1CCCC1)c1ccccc1 ZINC000049332246 522772009 /nfs/dbraw/zinc/77/20/09/522772009.db2.gz PBEGUZRVGAHXNG-UHFFFAOYSA-N 2 0 275.440 2.588 10 0 CFAERP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000151257880 522861567 /nfs/dbraw/zinc/86/15/67/522861567.db2.gz QGMUJLWJMRAKQY-ZWKOTPCHSA-N 2 0 290.451 2.883 10 0 CFAERP C[N@H+](CCSc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000231668563 522926449 /nfs/dbraw/zinc/92/64/49/522926449.db2.gz RDYHRIXFNJZBLN-AWEZNQCLSA-N 2 0 264.438 2.853 10 0 CFAERP CC[C@@H]1CCC[N@H+](Cc2cc(C)c(C[NH2+]C)o2)C1 ZINC000052479931 523248532 /nfs/dbraw/zinc/24/85/32/523248532.db2.gz BOEKPUJKYXGNGB-CYBMUJFWSA-N 2 0 250.386 2.929 10 0 CFAERP CC[C@@H]1CCC[N@@H+]1CCOc1cccc(C[NH2+]C)c1 ZINC000052375119 523267664 /nfs/dbraw/zinc/26/76/64/523267664.db2.gz RBZXIWRVHBWITC-OAHLLOKOSA-N 2 0 262.397 2.659 10 0 CFAERP C[N@H+](Cc1cccc(Cl)c1)CC1(C[NH3+])CCOCC1 ZINC000052182511 523301998 /nfs/dbraw/zinc/30/19/98/523301998.db2.gz WPYBKVNNLXPYAQ-UHFFFAOYSA-N 2 0 282.815 2.527 10 0 CFAERP C[N@H+](Cc1ccccc1C[NH2+]C1CC1)[C@H]1CCSC1 ZINC000052453657 523359991 /nfs/dbraw/zinc/35/99/91/523359991.db2.gz VQZBPGOPSCSOAE-INIZCTEOSA-N 2 0 276.449 2.876 10 0 CFAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000361886468 523780560 /nfs/dbraw/zinc/78/05/60/523780560.db2.gz LCJGPBNSOUBXAL-HUUCEWRRSA-N 2 0 282.472 2.638 10 0 CFAERP COc1ccc(C)cc1C[N@H+](CCC(N)=[NH2+])CC(C)C ZINC000050704466 523810328 /nfs/dbraw/zinc/81/03/28/523810328.db2.gz MJPZHDRRUBATAU-UHFFFAOYSA-N 2 0 277.412 2.788 10 0 CFAERP CC[C@H](C)[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)[NH3+])CC1 ZINC000055063950 523957965 /nfs/dbraw/zinc/95/79/65/523957965.db2.gz LDPHONRGMLYGMA-GZBFAFLISA-N 2 0 281.469 2.553 10 0 CFAERP C[C@@H](CC[NH+](C)C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000049559252 524474624 /nfs/dbraw/zinc/47/46/24/524474624.db2.gz QGPFEUFEPSERRJ-GXTWGEPZSA-N 2 0 277.437 2.760 10 0 CFAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334997352 526515301 /nfs/dbraw/zinc/51/53/01/526515301.db2.gz YSMAZOLVIJWEAN-KRWDZBQOSA-N 2 0 267.376 2.815 10 0 CFAERP Cc1oc(COCCC[NH+](C)C)cc1C[NH2+]C(C)C ZINC000052672350 526774252 /nfs/dbraw/zinc/77/42/52/526774252.db2.gz KBDSGIRVYZOMBW-UHFFFAOYSA-N 2 0 268.401 2.554 10 0 CFAERP NC(=[NH2+])c1cccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000050599532 526824211 /nfs/dbraw/zinc/82/42/11/526824211.db2.gz LYMZRZYVHVCTRT-QGZVFWFLSA-N 2 0 279.387 2.960 10 0 CFAERP [NH3+]C1CCC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000055144421 527140728 /nfs/dbraw/zinc/14/07/28/527140728.db2.gz CNPCRAYPFIYFJJ-WHXUTIOJSA-N 2 0 250.308 2.531 10 0 CFAERP [NH3+]CCCN(CCC[NH+]1CCCC1)C1CCCCCC1 ZINC000049332095 527178830 /nfs/dbraw/zinc/17/88/30/527178830.db2.gz HUFRBZGRGCXPQN-UHFFFAOYSA-N 2 0 281.488 2.846 10 0 CFAERP [NH3+]Cc1ccoc1CO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702302 527262262 /nfs/dbraw/zinc/26/22/62/527262262.db2.gz POGIJRZOZBUKOQ-INIZCTEOSA-N 2 0 286.375 2.529 10 0 CFAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000396468775 574355514 /nfs/dbraw/zinc/35/55/14/574355514.db2.gz VTFNHYIZJQWSKT-USXIJHARSA-N 2 0 288.460 2.602 10 0 CFAERP CC[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](CC)O1 ZINC000398567458 574368696 /nfs/dbraw/zinc/36/86/96/574368696.db2.gz OLSTZQLIXDVTPW-OQVBHOJDSA-N 2 0 280.456 2.797 10 0 CFAERP CC[C@@H]1C[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](CC)O1 ZINC000398567462 574368699 /nfs/dbraw/zinc/36/86/99/574368699.db2.gz OLSTZQLIXDVTPW-SLUKUZTOSA-N 2 0 280.456 2.797 10 0 CFAERP CCC[C@H]1CCOC2(CC[NH+](CC(C)C)CC2)[NH2+]1 ZINC000757141468 617797663 /nfs/dbraw/zinc/79/76/63/617797663.db2.gz KWYBCFPRKYTPGF-AWEZNQCLSA-N 2 0 254.418 2.613 10 0 CFAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@H](C)CC(C)(C)O2 ZINC000757150466 617829646 /nfs/dbraw/zinc/82/96/46/617829646.db2.gz PVLWHKZQSIELCU-CYBMUJFWSA-N 2 0 254.418 2.612 10 0 CFAERP [NH3+]CCCCCCNc1ccncc1Br ZINC000236166587 618076256 /nfs/dbraw/zinc/07/62/56/618076256.db2.gz LUDQKBFXSXBEKZ-UHFFFAOYSA-N 2 0 272.190 2.775 10 0 CFAERP [NH3+]C1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000094074765 619076963 /nfs/dbraw/zinc/07/69/63/619076963.db2.gz NPGLMMNVDJVVIZ-UHFFFAOYSA-N 2 0 257.381 2.570 10 0 CFAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(OC)cc1 ZINC000089149034 650829028 /nfs/dbraw/zinc/82/90/28/650829028.db2.gz ZJKHMHCYJXGWTD-VNQPRFMTSA-N 2 0 262.397 2.863 10 0 CFAERP CCN1CCC[C@H]([NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000222589237 647280668 /nfs/dbraw/zinc/28/06/68/647280668.db2.gz BGHNCFAZJMGNHC-BBRMVZONSA-N 2 0 264.388 2.831 10 0 CFAERP C[NH+]1CCC2(CC1)C[C@@H]([NH3+])c1cc(Cl)ccc1O2 ZINC000082509376 178076153 /nfs/dbraw/zinc/07/61/53/178076153.db2.gz RZXUHGJGRZAIJR-GFCCVEGCSA-N 2 0 266.772 2.587 10 0 CFAERP CCC[NH2+]Cc1ccccc1OCCC[NH+](C)C ZINC000083383753 178387354 /nfs/dbraw/zinc/38/73/54/178387354.db2.gz BQFAUCZHGUTFAG-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP C[NH+](C)CCCCCC[NH2+]CCCCCC[NH+](C)C ZINC000114529996 347773533 /nfs/dbraw/zinc/77/35/33/347773533.db2.gz VJAWPXBRFMDMBT-UHFFFAOYSA-N 3 0 271.493 2.820 10 0 CFAERP C[C@@H]1C[C@H]([NH3+])[C@@H](C)CN1Cc1ccc(Cl)cc1 ZINC000144339281 347940669 /nfs/dbraw/zinc/94/06/69/347940669.db2.gz FWWPHZSNNVGIHV-WDMOLILDSA-N 2 0 252.789 2.898 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000086817847 179345837 /nfs/dbraw/zinc/34/58/37/179345837.db2.gz HSXGSFQCWSJHSZ-JSGCOSHPSA-N 2 0 276.380 2.550 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CC)CC(C)C)CC1 ZINC000086846862 179356040 /nfs/dbraw/zinc/35/60/40/179356040.db2.gz FKOLIZJPKDUMEW-MRXNPFEDSA-N 2 0 269.477 2.558 10 0 CFAERP CC(C)CN(C(C)C)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086848105 179356434 /nfs/dbraw/zinc/35/64/34/179356434.db2.gz IQNFWVDAHFYRIF-QGZVFWFLSA-N 2 0 283.504 2.945 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)CC(C)C)CC1 ZINC000086848091 179357042 /nfs/dbraw/zinc/35/70/42/179357042.db2.gz PIJNRERQUOWKOP-IRXDYDNUSA-N 2 0 283.504 2.946 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000086848516 179357108 /nfs/dbraw/zinc/35/71/08/179357108.db2.gz VKMWYRYEBTVDJR-KRWDZBQOSA-N 2 0 281.488 2.700 10 0 CFAERP N[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000225918427 348180473 /nfs/dbraw/zinc/18/04/73/348180473.db2.gz QGTKUBTUMAIBIK-OALUTQOASA-N 2 0 278.399 2.930 10 0 CFAERP CC(C)[NH2+]Cc1csc(-c2cccc(C[NH3+])c2)n1 ZINC000725263409 539619642 /nfs/dbraw/zinc/61/96/42/539619642.db2.gz ARJUSCYYURMIAC-UHFFFAOYSA-N 2 0 261.394 2.767 10 0 CFAERP [NH3+][C@H]1CC[C@H]([NH2+]c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000322166531 348437682 /nfs/dbraw/zinc/43/76/82/348437682.db2.gz WOUOAMIMUMVMDK-HAQNSBGRSA-N 2 0 257.337 2.622 10 0 CFAERP CC(C)C[NH2+]C[C@]1(C[NH+]2CCCCC2)CCCOC1 ZINC000104324919 185968694 /nfs/dbraw/zinc/96/86/94/185968694.db2.gz XHIDODBTLIBQKZ-INIZCTEOSA-N 2 0 268.445 2.515 10 0 CFAERP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842269 355604015 /nfs/dbraw/zinc/60/40/15/355604015.db2.gz XWNNZTTVLCJZFI-ZFWWWQNUSA-N 2 0 262.397 2.500 10 0 CFAERP O[C@H](C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178976712 189158839 /nfs/dbraw/zinc/15/88/39/189158839.db2.gz JENLJUSTXVBCGO-QZTJIDSGSA-N 2 0 288.435 2.574 10 0 CFAERP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247189007 283849797 /nfs/dbraw/zinc/84/97/97/283849797.db2.gz VPYGUHOETHVXAG-XHSDSOJGSA-N 2 0 270.461 2.638 10 0 CFAERP CC(C)[C@@H](C[NH2+]CC1CCC(C)CC1)N1CC[NH+](C)CC1 ZINC000089576889 374925133 /nfs/dbraw/zinc/92/51/33/374925133.db2.gz IZXUOOBKQBSLDR-DAWZGUTISA-N 2 0 295.515 2.674 10 0 CFAERP Cc1cc(NCC[C@H]2CC[NH2+]C2)c2ccccc2[nH+]1 ZINC000110798666 375831954 /nfs/dbraw/zinc/83/19/54/375831954.db2.gz NSICKDOFAHKYGW-CYBMUJFWSA-N 2 0 255.365 2.955 10 0 CFAERP C[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133927650 377968387 /nfs/dbraw/zinc/96/83/87/377968387.db2.gz OFMLEPYMCWMSOG-PBHICJAKSA-N 2 0 287.451 2.715 10 0 CFAERP Cc1cccc(NC[C@H]2CC[N@H+](CCc3cccnc3)C2)n1 ZINC000172159046 379505670 /nfs/dbraw/zinc/50/56/70/379505670.db2.gz VGQXKQNPXIVENF-QGZVFWFLSA-N 2 0 296.418 2.762 10 0 CFAERP Cc1oncc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000181712848 380872387 /nfs/dbraw/zinc/87/23/87/380872387.db2.gz BJZGEDPUESKIMA-AWEZNQCLSA-N 2 0 286.379 2.620 10 0 CFAERP CC[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)CC(F)(F)F ZINC000402633024 380889344 /nfs/dbraw/zinc/88/93/44/380889344.db2.gz YTBMPCMCVMBUCX-GHMZBOCLSA-N 2 0 252.324 2.697 10 0 CFAERP CCN1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000389535535 382615648 /nfs/dbraw/zinc/61/56/48/382615648.db2.gz JDLMEENYLYCQMY-LBPRGKRZSA-N 2 0 298.814 2.541 10 0 CFAERP CC(C)CC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190821864 382681533 /nfs/dbraw/zinc/68/15/33/382681533.db2.gz FRUZOJHCVJOOST-QGZVFWFLSA-N 2 0 275.440 2.881 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1cc(Br)ccc1F ZINC000575440176 382771733 /nfs/dbraw/zinc/77/17/33/382771733.db2.gz MKNOKEHQFSBGNC-NSHDSACASA-N 2 0 275.165 2.717 10 0 CFAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])cc1Br ZINC000575440125 382771751 /nfs/dbraw/zinc/77/17/51/382771751.db2.gz VNIAZPMZLPCRLH-GFCCVEGCSA-N 2 0 271.202 2.886 10 0 CFAERP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CCC[NH2+]C1 ZINC000575859735 382801660 /nfs/dbraw/zinc/80/16/60/382801660.db2.gz DLSATJIWAZYTOQ-YPMHNXCESA-N 2 0 260.372 2.790 10 0 CFAERP CN(Cc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000226451211 382828430 /nfs/dbraw/zinc/82/84/30/382828430.db2.gz NVWLLOZVDUEYQF-LLVKDONJSA-N 2 0 254.324 2.539 10 0 CFAERP CN(Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231457447 382864783 /nfs/dbraw/zinc/86/47/83/382864783.db2.gz NUWLTLFOGLFDOE-LBPRGKRZSA-N 2 0 254.324 2.539 10 0 CFAERP Cc1ccc2cc(C[N@H+]3C[C@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000634999071 383455682 /nfs/dbraw/zinc/45/56/82/383455682.db2.gz PQAZIMRLKYRUFE-LRDDRELGSA-N 2 0 269.392 2.570 10 0 CFAERP Cc1scc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000635015487 383471736 /nfs/dbraw/zinc/47/17/36/383471736.db2.gz BKWRNGWDEJCMHA-AAEUAGOBSA-N 2 0 252.427 2.843 10 0 CFAERP Cc1[nH+]ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000261555323 383509890 /nfs/dbraw/zinc/50/98/90/383509890.db2.gz BIMZBUGNFSDABU-TUAOUCFPSA-N 2 0 265.788 2.607 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]12 ZINC000261555849 383511405 /nfs/dbraw/zinc/51/14/05/383511405.db2.gz QCUQLSRHUOTVHG-ZKYQVNSYSA-N 2 0 250.773 2.509 10 0 CFAERP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261574216 383516836 /nfs/dbraw/zinc/51/68/36/383516836.db2.gz MOBSRLPMNQBCKL-CFVMTHIKSA-N 2 0 264.800 2.818 10 0 CFAERP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261579411 383518901 /nfs/dbraw/zinc/51/89/01/383518901.db2.gz DUPUPBJMRPMZRX-XIRDDKMYSA-N 2 0 258.409 2.781 10 0 CFAERP C[C@@H]1C[C@H]1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262050289 383599804 /nfs/dbraw/zinc/59/98/04/383599804.db2.gz ZNTHOUOTADAWTR-VYDXJSESSA-N 2 0 273.424 2.682 10 0 CFAERP CCN1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000133049414 285231852 /nfs/dbraw/zinc/23/18/52/285231852.db2.gz MWTHRNZOSWIIEJ-GDBMZVCRSA-N 2 0 274.408 2.974 10 0 CFAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381576500 393564256 /nfs/dbraw/zinc/56/42/56/393564256.db2.gz IQVUQDPNRRFWRO-RWMBFGLXSA-N 2 0 260.372 2.871 10 0 CFAERP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000045171439 393569086 /nfs/dbraw/zinc/56/90/86/393569086.db2.gz IBMUHBJZCRLPCM-SWLSCSKDSA-N 2 0 290.455 2.655 10 0 CFAERP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCCF)C1 ZINC000195249416 393735400 /nfs/dbraw/zinc/73/54/00/393735400.db2.gz HWPWCSHWGYZVTI-ZDUSSCGKSA-N 2 0 285.432 2.565 10 0 CFAERP Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000229099919 393776613 /nfs/dbraw/zinc/77/66/13/393776613.db2.gz CURLJGXSNOBPSX-OCCSQVGLSA-N 2 0 269.392 2.964 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000245594674 393818792 /nfs/dbraw/zinc/81/87/92/393818792.db2.gz ICVBDFXYPXYUII-XYJFISCASA-N 2 0 296.499 2.837 10 0 CFAERP FC1(F)CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423075184 394264112 /nfs/dbraw/zinc/26/41/12/394264112.db2.gz NZSJICUZLWCREF-YNEHKIRRSA-N 2 0 258.356 2.685 10 0 CFAERP Cc1cc(N2CCCC[C@@H]2C[NH3+])c2ccccc2[nH+]1 ZINC000044559428 134910076 /nfs/dbraw/zinc/91/00/76/134910076.db2.gz UERDRWLBKRHRNO-CYBMUJFWSA-N 2 0 255.365 2.861 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000037074262 543026219 /nfs/dbraw/zinc/02/62/19/543026219.db2.gz HOFNYBCOBUYOLE-XJKSGUPXSA-N 2 0 274.408 2.830 10 0 CFAERP CCO[C@@H]1C[C@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034507 286333419 /nfs/dbraw/zinc/33/34/19/286333419.db2.gz OKNWPXKSTDQONM-ARFHVFGLSA-N 2 0 280.456 2.656 10 0 CFAERP CC1(C)CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000657326342 413448634 /nfs/dbraw/zinc/44/86/34/413448634.db2.gz PCTFHGDALDVWFJ-JKSUJKDBSA-N 2 0 282.472 2.782 10 0 CFAERP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261780831 287153725 /nfs/dbraw/zinc/15/37/25/287153725.db2.gz PKNOWOPAXOGEND-UAGQMJEPSA-N 2 0 281.403 2.817 10 0 CFAERP CC[NH+](CC)CCOC1(c2ccccc2)CC[NH2+]CC1 ZINC000005847820 170146952 /nfs/dbraw/zinc/14/69/52/170146952.db2.gz AJWDNBGJSDKTMC-UHFFFAOYSA-N 2 0 276.424 2.624 10 0 CFAERP C[N@H+](CCC(=O)Nc1ccccc1C[NH3+])C1CCCCC1 ZINC000022216988 171375651 /nfs/dbraw/zinc/37/56/51/171375651.db2.gz KMDMDHZHUNWWIW-UHFFFAOYSA-N 2 0 289.423 2.738 10 0 CFAERP CCC[NH+]1CCN([C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000022563298 171391181 /nfs/dbraw/zinc/39/11/81/171391181.db2.gz VDRJNYKIIWLHBB-MSOLQXFVSA-N 2 0 289.467 2.739 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCc2ccco2)CC1 ZINC000035661421 172338585 /nfs/dbraw/zinc/33/85/85/172338585.db2.gz GNVFIRBWOFIIIU-CYBMUJFWSA-N 2 0 250.386 2.532 10 0 CFAERP [NH3+]C[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035731337 172381277 /nfs/dbraw/zinc/38/12/77/172381277.db2.gz TZORIVMQWQYMKU-SFHVURJKSA-N 2 0 266.388 2.787 10 0 CFAERP COc1cccc(C[N@H+](CCC[NH3+])C2CCCC2)c1 ZINC000037299648 173104552 /nfs/dbraw/zinc/10/45/52/173104552.db2.gz AWUUDTIZVZNRDT-UHFFFAOYSA-N 2 0 262.397 2.789 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000037856534 173807172 /nfs/dbraw/zinc/80/71/72/173807172.db2.gz BMLVSEIPEBAXRD-RHSMWYFYSA-N 2 0 296.430 2.959 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)CC1 ZINC000038009600 173975341 /nfs/dbraw/zinc/97/53/41/173975341.db2.gz VKRMMQYBJXMTSC-RHSMWYFYSA-N 2 0 288.435 2.700 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038096074 174110466 /nfs/dbraw/zinc/11/04/66/174110466.db2.gz ZRBIXXMCJLHJNG-HOCLYGCPSA-N 2 0 268.445 2.656 10 0 CFAERP C[NH+](C)CCCn1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC000040404422 174253666 /nfs/dbraw/zinc/25/36/66/174253666.db2.gz GHYZWRAACSRZRF-UHFFFAOYSA-N 2 0 294.830 2.533 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC000040502627 174298948 /nfs/dbraw/zinc/29/89/48/174298948.db2.gz FHLVZLMCOQPDOV-NVXWUHKLSA-N 2 0 281.488 2.571 10 0 CFAERP CCCCOCC[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000040506740 174301901 /nfs/dbraw/zinc/30/19/01/174301901.db2.gz LUFGGOKDQPQCRB-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cc(C)oc2C)C1 ZINC000040593181 174347400 /nfs/dbraw/zinc/34/74/00/174347400.db2.gz LGAPEYLXWSUFOZ-GXTWGEPZSA-N 2 0 250.386 2.889 10 0 CFAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC000040622204 174354949 /nfs/dbraw/zinc/35/49/49/174354949.db2.gz IJGDNXORJXBUFT-QGZVFWFLSA-N 2 0 260.425 2.939 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000040667131 174366481 /nfs/dbraw/zinc/36/64/81/174366481.db2.gz JVIWIASVWYCHGA-CYBMUJFWSA-N 2 0 290.407 2.625 10 0 CFAERP CCOC1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000040678513 174374685 /nfs/dbraw/zinc/37/46/85/174374685.db2.gz UUSFCOUZMJXTGH-SQWLQELKSA-N 2 0 268.445 2.641 10 0 CFAERP [NH3+][C@H]1CCCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693978 174377698 /nfs/dbraw/zinc/37/76/98/174377698.db2.gz OEBKNZZAXXIXMI-ZWKOTPCHSA-N 2 0 293.499 2.987 10 0 CFAERP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1O ZINC000040746590 174392078 /nfs/dbraw/zinc/39/20/78/174392078.db2.gz VIXUPERFGCEVHF-XYPWUTKMSA-N 2 0 274.408 2.724 10 0 CFAERP CCCN(Cc1csc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747653 174392651 /nfs/dbraw/zinc/39/26/51/174392651.db2.gz BSFMJFPZDSTIEM-NNQSOWQGSA-N 2 0 279.453 2.947 10 0 CFAERP CCCN(c1ccc(C)cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748869 174393855 /nfs/dbraw/zinc/39/38/55/174393855.db2.gz BWDRISCOEKKPRO-YIONKMFJSA-N 2 0 259.397 2.889 10 0 CFAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCCOC1 ZINC000040769314 174399392 /nfs/dbraw/zinc/39/93/92/174399392.db2.gz AWOLYJOUSKVJRB-PMRDEQMMSA-N 2 0 280.456 2.512 10 0 CFAERP CC[NH+](CC)CCn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041725983 174618931 /nfs/dbraw/zinc/61/89/31/174618931.db2.gz RXCCOPACPOHSIH-CQSZACIVSA-N 2 0 263.429 2.802 10 0 CFAERP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000247301759 287295720 /nfs/dbraw/zinc/29/57/20/287295720.db2.gz ZSFKEYNLUUPEAY-WCXIOVBPSA-N 2 0 282.472 2.638 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1ccsc1)N1CCC([NH+](C)C)CC1 ZINC000043117926 174976084 /nfs/dbraw/zinc/97/60/84/174976084.db2.gz OKZABSIYXPDUIG-CABCVRRESA-N 2 0 281.469 2.553 10 0 CFAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C)s1 ZINC000043243325 174990678 /nfs/dbraw/zinc/99/06/78/174990678.db2.gz LSSBMPJUYGFYND-GDBMZVCRSA-N 2 0 297.512 2.964 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC(C[NH+](C)C)CC1 ZINC000043364997 175026239 /nfs/dbraw/zinc/02/62/39/175026239.db2.gz LLXWIIGKFWUQCD-NVXWUHKLSA-N 2 0 293.455 2.640 10 0 CFAERP COc1ccccc1C[N@H+](CCC[NH3+])CC(C)C ZINC000043457238 175049939 /nfs/dbraw/zinc/04/99/39/175049939.db2.gz IVCHNLRJICCOCC-UHFFFAOYSA-N 2 0 250.386 2.502 10 0 CFAERP CCCC[C@H](CC)C[NH+]1CCN([C@H](CC)CC[NH3+])CC1 ZINC000043454554 175050113 /nfs/dbraw/zinc/05/01/13/175050113.db2.gz DJIBFAZJDHSEGB-DLBZAZTESA-N 2 0 283.504 2.948 10 0 CFAERP CC[NH+](CC)CCOc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000043491887 175057654 /nfs/dbraw/zinc/05/76/54/175057654.db2.gz KFYSKFFJYTXUSO-LBPRGKRZSA-N 2 0 284.831 2.950 10 0 CFAERP C[N@H+](CCC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000043591876 175073746 /nfs/dbraw/zinc/07/37/46/175073746.db2.gz WDOZJVARNADBFP-ZDUSSCGKSA-N 2 0 252.427 2.960 10 0 CFAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2cc(C)ccc2C)CC1 ZINC000043805346 175107570 /nfs/dbraw/zinc/10/75/70/175107570.db2.gz JMLYQWMKCRXSAW-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH+]1CCN([C@@H](C)[C@@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805463 175107685 /nfs/dbraw/zinc/10/76/85/175107685.db2.gz DWRNPFLOEOMFSP-FUHWJXTLSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CC[NH+](CCC)CC1 ZINC000043805548 175107694 /nfs/dbraw/zinc/10/76/94/175107694.db2.gz LVIZNGFVRLICTC-HOTGVXAUSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH+]1CCN([C@H](C)[C@@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805466 175107834 /nfs/dbraw/zinc/10/78/34/175107834.db2.gz DWRNPFLOEOMFSP-SJLPKXTDSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH+]1CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805300 175107919 /nfs/dbraw/zinc/10/79/19/175107919.db2.gz RVKSIFYZYIZAQD-IXDOHACOSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](CC)CC1 ZINC000043806163 175108485 /nfs/dbraw/zinc/10/84/85/175108485.db2.gz STGMPLZMAHJTOU-FUHWJXTLSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000043811051 175110167 /nfs/dbraw/zinc/11/01/67/175110167.db2.gz ITRISBVSYVQCQC-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043811028 175110451 /nfs/dbraw/zinc/11/04/51/175110451.db2.gz GUSXGEWZSFXLSW-WMZOPIPTSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815416 175112294 /nfs/dbraw/zinc/11/22/94/175112294.db2.gz QOXMTMQDNDIFKM-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043897048 175119931 /nfs/dbraw/zinc/11/99/31/175119931.db2.gz ALIFXOLZGLSVMQ-SJLPKXTDSA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896926 175120073 /nfs/dbraw/zinc/12/00/73/175120073.db2.gz OFEONJXLVBSKNZ-IKGGRYGDSA-N 2 0 295.515 2.815 10 0 CFAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897316 175120145 /nfs/dbraw/zinc/12/01/45/175120145.db2.gz BSPHOQCBTMWZNB-CRAIPNDOSA-N 2 0 289.467 2.670 10 0 CFAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965568 175126915 /nfs/dbraw/zinc/12/69/15/175126915.db2.gz OQNUOIBDTQHFFQ-OAGGEKHMSA-N 2 0 281.488 2.569 10 0 CFAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965696 175127222 /nfs/dbraw/zinc/12/72/22/175127222.db2.gz FBIBQPDUXPYLAB-CABCVRRESA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965698 175127468 /nfs/dbraw/zinc/12/74/68/175127468.db2.gz FBIBQPDUXPYLAB-HUUCEWRRSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967937 175129005 /nfs/dbraw/zinc/12/90/05/175129005.db2.gz LCVLSDJNXQTRIN-MSOLQXFVSA-N 2 0 293.499 2.715 10 0 CFAERP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@H+](C)[C@@H](C)COC ZINC000043969149 175130564 /nfs/dbraw/zinc/13/05/64/175130564.db2.gz KXQRHFOWMLIIJP-UONOGXRCSA-N 2 0 294.439 2.832 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970773 175131720 /nfs/dbraw/zinc/13/17/20/175131720.db2.gz HYDQDFWHAKGTNM-ROUUACIJSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978440 175133317 /nfs/dbraw/zinc/13/33/17/175133317.db2.gz SSWFHDOMWLMYDH-NJAFHUGGSA-N 2 0 295.515 2.959 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978546 175133367 /nfs/dbraw/zinc/13/33/67/175133367.db2.gz JJBJTNDNFUCAJF-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CC(C)[C@H]([C@H](O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044132973 175144893 /nfs/dbraw/zinc/14/48/93/175144893.db2.gz MJMNRBZGQLJEHH-QZTJIDSGSA-N 2 0 290.451 2.771 10 0 CFAERP COc1ccc(C)cc1[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044511635 175187785 /nfs/dbraw/zinc/18/77/85/175187785.db2.gz AVEYZFPOBQHMFN-CYBMUJFWSA-N 2 0 262.397 2.735 10 0 CFAERP CCOc1ccccc1[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044512051 175188125 /nfs/dbraw/zinc/18/81/25/175188125.db2.gz IVDHCHNIDACASY-CYBMUJFWSA-N 2 0 262.397 2.817 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000044517575 175190493 /nfs/dbraw/zinc/19/04/93/175190493.db2.gz OCXGFYZMUIYFAG-INIZCTEOSA-N 2 0 274.408 2.832 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCCN2C)CC1 ZINC000044561426 175205139 /nfs/dbraw/zinc/20/51/39/175205139.db2.gz BIFWVTZINFCUOP-DOTOQJQBSA-N 2 0 281.488 2.571 10 0 CFAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044675282 175227029 /nfs/dbraw/zinc/22/70/29/175227029.db2.gz LVRCQABQDJYNTE-PEHHYFEISA-N 2 0 258.409 2.861 10 0 CFAERP C[NH2+][C@@H]1CCCc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000044745111 175241732 /nfs/dbraw/zinc/24/17/32/175241732.db2.gz IDTFQDUTZZDJES-QGZVFWFLSA-N 2 0 274.408 2.758 10 0 CFAERP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044747330 175243288 /nfs/dbraw/zinc/24/32/88/175243288.db2.gz FBPSHUPMWPDWEY-UGSOOPFHSA-N 2 0 286.419 2.844 10 0 CFAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000044806130 175256556 /nfs/dbraw/zinc/25/65/56/175256556.db2.gz NEXLMHFGRKCHDO-OAHLLOKOSA-N 2 0 297.487 2.522 10 0 CFAERP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073393 175302395 /nfs/dbraw/zinc/30/23/95/175302395.db2.gz DCWOCMPKBJMCPL-ZACQAIPSSA-N 2 0 280.456 2.798 10 0 CFAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1C ZINC000045172706 175321991 /nfs/dbraw/zinc/32/19/91/175321991.db2.gz GRZOMHGGEDZMSZ-GFCCVEGCSA-N 2 0 278.444 2.512 10 0 CFAERP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CCCCC1 ZINC000045372467 175365176 /nfs/dbraw/zinc/36/51/76/175365176.db2.gz CRMZXNVJORGOBH-QGZVFWFLSA-N 2 0 297.487 2.663 10 0 CFAERP CCC[NH+](CCC)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045378506 175367592 /nfs/dbraw/zinc/36/75/92/175367592.db2.gz ORMPDQSASWKYKR-HNNXBMFYSA-N 2 0 272.433 2.559 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379092 175368396 /nfs/dbraw/zinc/36/83/96/175368396.db2.gz NRLQDYFDMFBYAP-QGZVFWFLSA-N 2 0 297.487 2.665 10 0 CFAERP CCCC[NH+](CCCC)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000045380566 175369266 /nfs/dbraw/zinc/36/92/66/175369266.db2.gz FEROTBDGDACHTH-MRXNPFEDSA-N 2 0 286.460 2.949 10 0 CFAERP CCC[N@H+](CCCC[C@](C)([NH3+])C(=O)OCC)C(C)C ZINC000045385815 175371710 /nfs/dbraw/zinc/37/17/10/175371710.db2.gz IVTFHGCZKAOLDZ-HNNXBMFYSA-N 2 0 272.433 2.558 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)CCC)C(N)=O ZINC000045394690 175376066 /nfs/dbraw/zinc/37/60/66/175376066.db2.gz UMTBFAKLEQKJRW-HOCLYGCPSA-N 2 0 285.476 2.521 10 0 CFAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045419145 175377252 /nfs/dbraw/zinc/37/72/52/175377252.db2.gz ONVBASFMPIZIFS-KRWDZBQOSA-N 2 0 297.487 2.665 10 0 CFAERP CCCC[N@H+](CCCC[C@](C)([NH2+]CCC)C(N)=O)C1CC1 ZINC000045421745 175380484 /nfs/dbraw/zinc/38/04/84/175380484.db2.gz PHDDLSHDOMXVKQ-KRWDZBQOSA-N 2 0 297.487 2.665 10 0 CFAERP Cc1noc(C)c1C[NH2+]CCCC[N@@H+](C)C(C)C ZINC000070141802 175873689 /nfs/dbraw/zinc/87/36/89/175873689.db2.gz LUCXTHUKJVHPHA-UHFFFAOYSA-N 2 0 253.390 2.501 10 0 CFAERP CCOc1ccc([C@@H](C)[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071142250 176039938 /nfs/dbraw/zinc/03/99/38/176039938.db2.gz KOOYYGUEZQDLIS-ZIAGYGMSSA-N 2 0 262.397 2.688 10 0 CFAERP CC(C)[NH+](CCNC1=[NH+]C[C@H](C2CC2)S1)C(C)C ZINC000071306671 176115894 /nfs/dbraw/zinc/11/58/94/176115894.db2.gz TYKFXVRBGGCGIV-CYBMUJFWSA-N 2 0 269.458 2.576 10 0 CFAERP CC[N@H+](CCC[C@@H]([NH3+])c1ccccc1)[C@@H](C)COC ZINC000071401942 176153880 /nfs/dbraw/zinc/15/38/80/176153880.db2.gz BDTDTDDOKNJZFY-GOEBONIOSA-N 2 0 264.413 2.823 10 0 CFAERP Cc1cc([C@@H](CC[NH3+])C[NH+](C)C)c(C)n1C(C)C ZINC000076656137 177045667 /nfs/dbraw/zinc/04/56/67/177045667.db2.gz OSLIPGNAHWRQAD-AWEZNQCLSA-N 2 0 251.418 2.680 10 0 CFAERP CCC[C@H](CC[NH3+])CCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000079240029 177454145 /nfs/dbraw/zinc/45/41/45/177454145.db2.gz WAZDXYJTUYTMPK-HOTGVXAUSA-N 2 0 299.503 2.624 10 0 CFAERP CC(C)c1cccc2c(N3CC[NH2+]CC3)cc[nH+]c21 ZINC000040175311 278056116 /nfs/dbraw/zinc/05/61/16/278056116.db2.gz ZGQSOHIWHLKTBS-UHFFFAOYSA-N 2 0 255.365 2.768 10 0 CFAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCCCO1 ZINC000262023950 278278310 /nfs/dbraw/zinc/27/83/10/278278310.db2.gz YWTFGHZLDFZACL-KSYCFECVSA-N 2 0 260.381 2.678 10 0 CFAERP CC1(C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000261778005 278341539 /nfs/dbraw/zinc/34/15/39/278341539.db2.gz SYRRBOLUULKDMT-GJZGRUSLSA-N 2 0 262.372 2.872 10 0 CFAERP Cc1[nH+]ccc(N2CC[C@@H]([NH3+])C(C)(C)C2)c1Cl ZINC000261542465 279165259 /nfs/dbraw/zinc/16/52/59/279165259.db2.gz CGDVTTBCPHZZSN-LLVKDONJSA-N 2 0 253.777 2.607 10 0 CFAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+](C)C)C1 ZINC000185295141 281308389 /nfs/dbraw/zinc/30/83/89/281308389.db2.gz OJJJXIQQJYMEEU-CQSZACIVSA-N 2 0 269.392 2.992 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000562958665 290085992 /nfs/dbraw/zinc/08/59/92/290085992.db2.gz JYKQZSIASLYDDR-JSGCOSHPSA-N 2 0 266.816 2.860 10 0 CFAERP C[C@H]([NH2+]CCSc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089552 290346925 /nfs/dbraw/zinc/34/69/25/290346925.db2.gz OIPCLWDMJPSJDQ-KBPBESRZSA-N 2 0 264.438 2.756 10 0 CFAERP CC[C@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192850542 324066294 /nfs/dbraw/zinc/06/62/94/324066294.db2.gz ADQLDKLIOMNEPR-GOEBONIOSA-N 2 0 261.413 2.634 10 0 CFAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)COCc1ccccc1 ZINC000389905480 324521620 /nfs/dbraw/zinc/52/16/20/324521620.db2.gz ACQGXPOBNFLWCT-OOHWJJMZSA-N 2 0 276.424 2.699 10 0 CFAERP CC(C)CN(CC[NH+](C)C)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052503301 519716180 /nfs/dbraw/zinc/71/61/80/519716180.db2.gz LIXBWTGBBXJACU-HNNXBMFYSA-N 2 0 271.493 2.530 10 0 CFAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052503246 519716773 /nfs/dbraw/zinc/71/67/73/519716773.db2.gz MRIKFLORLLUXNG-INIZCTEOSA-N 2 0 271.493 2.529 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181741 519719546 /nfs/dbraw/zinc/71/95/46/519719546.db2.gz NGGHOUSCNCRBCT-OAHLLOKOSA-N 2 0 270.461 2.758 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425087 519725858 /nfs/dbraw/zinc/72/58/58/519725858.db2.gz GYZYXZKFIFYQJD-CVEARBPZSA-N 2 0 268.445 2.798 10 0 CFAERP CC(C)C[NH2+]CCCC[N@H+](C)CCc1ccncc1 ZINC000052483025 519743281 /nfs/dbraw/zinc/74/32/81/519743281.db2.gz PJZFZQKDXOEBHR-UHFFFAOYSA-N 2 0 263.429 2.582 10 0 CFAERP CCCC1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000050893292 519900835 /nfs/dbraw/zinc/90/08/35/519900835.db2.gz QAWFUURYOJDHTG-UHFFFAOYSA-N 2 0 281.488 2.700 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC)Cc2cccs2)CCOCC1 ZINC000052183451 519913284 /nfs/dbraw/zinc/91/32/84/519913284.db2.gz KSCTZJXDUXYXHU-UHFFFAOYSA-N 2 0 296.480 2.976 10 0 CFAERP CC[NH2+]Cc1ccoc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420572 520012491 /nfs/dbraw/zinc/01/24/91/520012491.db2.gz LOGYCMYXFRRXOU-STQMWFEESA-N 2 0 250.386 2.867 10 0 CFAERP CCC(C)(C)[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000069448496 521302586 /nfs/dbraw/zinc/30/25/86/521302586.db2.gz YZOSNXWDWMJLFH-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000423100962 534147789 /nfs/dbraw/zinc/14/77/89/534147789.db2.gz NDWSCWSZXZGNGH-PVTMVUMOSA-N 2 0 280.456 2.700 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157383500 519342080 /nfs/dbraw/zinc/34/20/80/519342080.db2.gz PZGSJUCOYVKGPE-XOKHGSTOSA-N 2 0 275.440 2.697 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419174 519723874 /nfs/dbraw/zinc/72/38/74/519723874.db2.gz YXWBVOHVKNDUMR-ROUUACIJSA-N 2 0 288.435 2.590 10 0 CFAERP CC(C)[NH2+]Cc1cccc(OCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000052484478 519727281 /nfs/dbraw/zinc/72/72/81/519727281.db2.gz QZNWLTLLOKRNGB-OAHLLOKOSA-N 2 0 276.424 2.905 10 0 CFAERP CC(C)C[NH2+]CCCCOCC[C@@H]1CCC[N@@H+]1C ZINC000052672887 519743332 /nfs/dbraw/zinc/74/33/32/519743332.db2.gz IBHMPSNPTUJIDW-HNNXBMFYSA-N 2 0 256.434 2.513 10 0 CFAERP CC(C)C[NH2+]CCCCC[N@@H+]1CCOC(C)(C)C1 ZINC000052481872 519743429 /nfs/dbraw/zinc/74/34/29/519743429.db2.gz HKRNADNOVTYBIG-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](C)C2)o1 ZINC000052484408 519747033 /nfs/dbraw/zinc/74/70/33/519747033.db2.gz BZHRPYAAVOHRQM-CYBMUJFWSA-N 2 0 250.386 2.867 10 0 CFAERP CCC[NH+]1CCC(C[NH3+])(N(C)Cc2ccccc2C)CC1 ZINC000048872035 519842334 /nfs/dbraw/zinc/84/23/34/519842334.db2.gz DKTBSPWJBWJBSZ-UHFFFAOYSA-N 2 0 289.467 2.630 10 0 CFAERP CCC[NH+]1CCC(N2Cc3ccccc3C2=[NH2+])CC1 ZINC000049557994 519844834 /nfs/dbraw/zinc/84/48/34/519844834.db2.gz NWAFGMTUHUMQGO-UHFFFAOYSA-N 2 0 257.381 2.702 10 0 CFAERP CCC[NH+]1CCC(NC2=[NH+][C@H](CC(C)C)CS2)CC1 ZINC000049559149 519846453 /nfs/dbraw/zinc/84/64/53/519846453.db2.gz GXWNATCNYCJZJJ-CQSZACIVSA-N 2 0 283.485 2.968 10 0 CFAERP CCC1CC[NH+](CCOc2ccccc2C[NH2+]C)CC1 ZINC000052346994 519859039 /nfs/dbraw/zinc/85/90/39/519859039.db2.gz GYTHBDPPUXBKID-UHFFFAOYSA-N 2 0 276.424 2.907 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197815 519910060 /nfs/dbraw/zinc/91/00/60/519910060.db2.gz WCFSZPKEYNFSNZ-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[NH2+]CCCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074422 519911637 /nfs/dbraw/zinc/91/16/37/519911637.db2.gz NMPFIFCHRNPNLF-INIZCTEOSA-N 2 0 269.477 2.572 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)Cc2ccc(C)cc2)CCOCC1 ZINC000052181110 519911925 /nfs/dbraw/zinc/91/19/25/519911925.db2.gz ODKOOBVZUULPKF-UHFFFAOYSA-N 2 0 290.451 2.833 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181990 519914049 /nfs/dbraw/zinc/91/40/49/519914049.db2.gz GORRTLYEMVMMCM-DLBZAZTESA-N 2 0 294.483 2.905 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCC)C(C)C)O1 ZINC000052450574 519935965 /nfs/dbraw/zinc/93/59/65/519935965.db2.gz AQZMWTMDOPDMBF-CABCVRRESA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823144 519936635 /nfs/dbraw/zinc/93/66/35/519936635.db2.gz BJPDHDUAMJDLPO-CABCVRRESA-N 2 0 268.445 2.656 10 0 CFAERP CCC[NH2+]Cc1ccccc1OCC[N@H+](C)CC ZINC000052446081 519956503 /nfs/dbraw/zinc/95/65/03/519956503.db2.gz GSFLYSJEMCOWIU-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@H+](C)[C@H](C)CC)cc1 ZINC000052444156 519999984 /nfs/dbraw/zinc/99/99/84/519999984.db2.gz UWAWIFPTAYVGIL-CQSZACIVSA-N 2 0 264.413 2.905 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000052381376 520007056 /nfs/dbraw/zinc/00/70/56/520007056.db2.gz BJJUUHCYHBDRTJ-OAHLLOKOSA-N 2 0 276.424 2.907 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@@H+]1CCC[C@H]1C ZINC000052375842 520008603 /nfs/dbraw/zinc/00/86/03/520008603.db2.gz AHCBCYSOSNSMGC-CQSZACIVSA-N 2 0 262.397 2.659 10 0 CFAERP CC[NH2+]Cc1coc(C[N@H+](CCOC)[C@H](C)CC)c1 ZINC000052547371 520018271 /nfs/dbraw/zinc/01/82/71/520018271.db2.gz IKZRRSPBIYPGFR-CYBMUJFWSA-N 2 0 268.401 2.636 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[NH+]1CCSCC1 ZINC000053864350 520096926 /nfs/dbraw/zinc/09/69/26/520096926.db2.gz PBHFVHARTAQPMI-ZNMIVQPWSA-N 2 0 270.486 2.840 10 0 CFAERP CC[N@H+](C)CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000052446099 520241501 /nfs/dbraw/zinc/24/15/01/520241501.db2.gz YNSONBJBFIFEAE-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CCCO[C@H]1CCC[N@H+](C[C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000052371524 520284518 /nfs/dbraw/zinc/28/45/18/520284518.db2.gz NEXXTXKPNUFCIT-GJZGRUSLSA-N 2 0 270.461 2.902 10 0 CFAERP CCCC[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052417981 520409903 /nfs/dbraw/zinc/40/99/03/520409903.db2.gz OGKLQVPJWMQWFA-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CCCC[N@H+](C)C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052418058 520416324 /nfs/dbraw/zinc/41/63/24/520416324.db2.gz LUDDCZKAEBPIDN-ZIAGYGMSSA-N 2 0 256.434 2.654 10 0 CFAERP CCCC[N@H+](CC1(C[NH3+])CCOCC1)[C@@H](C)CC ZINC000052198183 520483713 /nfs/dbraw/zinc/48/37/13/520483713.db2.gz OBONYDYAASJBQA-AWEZNQCLSA-N 2 0 256.434 2.643 10 0 CFAERP CC[N@H+](CC1(C[NH2+]CC(C)C)CCOCC1)C(C)C ZINC000052181324 520938297 /nfs/dbraw/zinc/93/82/97/520938297.db2.gz FNWYWARJCGAYJP-UHFFFAOYSA-N 2 0 270.461 2.759 10 0 CFAERP CC[N@H+](CC1CC1)C[C@](C)(C[NH2+]C)c1ccccc1 ZINC000069239877 520957686 /nfs/dbraw/zinc/95/76/86/520957686.db2.gz YWSCKIAKUYAFIC-KRWDZBQOSA-N 2 0 260.425 2.896 10 0 CFAERP CCC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000053497550 521061032 /nfs/dbraw/zinc/06/10/32/521061032.db2.gz NWXFBLTYMNXBHO-LSDHHAIUSA-N 2 0 269.477 2.569 10 0 CFAERP CC[N@H+](CCOCCC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049267800 521139713 /nfs/dbraw/zinc/13/97/13/521139713.db2.gz VTKXDOGICOGCPS-XYPWUTKMSA-N 2 0 268.445 2.654 10 0 CFAERP CC[N@H+](CCOc1cccc(C[NH2+]C2CC2)c1)C1CC1 ZINC000052452027 521149058 /nfs/dbraw/zinc/14/90/58/521149058.db2.gz GUVHYGQWWZDHLI-UHFFFAOYSA-N 2 0 274.408 2.802 10 0 CFAERP CC[N@H+](Cc1cccs1)CC1(C[NH2+]C)CCOCC1 ZINC000052183465 521407679 /nfs/dbraw/zinc/40/76/79/521407679.db2.gz MBKMPHGXEHFVQH-UHFFFAOYSA-N 2 0 282.453 2.586 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050558523 521566202 /nfs/dbraw/zinc/56/62/02/521566202.db2.gz GPBDGOULZQFVGH-QGZVFWFLSA-N 2 0 293.430 2.550 10 0 CFAERP CCC[NH+](CCC)C[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052416870 521648231 /nfs/dbraw/zinc/64/82/31/521648231.db2.gz UETDTVULSJQIGV-CVEARBPZSA-N 2 0 270.461 2.902 10 0 CFAERP CCOC1CC[NH+](CCCCC[NH2+]CC(C)C)CC1 ZINC000052484069 521655942 /nfs/dbraw/zinc/65/59/42/521655942.db2.gz NSWVRTBICZDHMD-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP CCc1ccccc1[C@@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000052203702 521932517 /nfs/dbraw/zinc/93/25/17/521932517.db2.gz MJRCCTIOFCHKBG-QGZVFWFLSA-N 2 0 289.467 2.665 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)CC2CCCCC2)CCOCC1 ZINC000052197923 521966841 /nfs/dbraw/zinc/96/68/41/521966841.db2.gz BSZNRLMCGDGNLX-UHFFFAOYSA-N 2 0 268.445 2.515 10 0 CFAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376277 521998907 /nfs/dbraw/zinc/99/89/07/521998907.db2.gz OBMGIJXKEHCKAN-MRXNPFEDSA-N 2 0 289.467 2.814 10 0 CFAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052419019 522000260 /nfs/dbraw/zinc/00/02/60/522000260.db2.gz NAAZOFBAQDEXIJ-AWEZNQCLSA-N 2 0 295.858 2.850 10 0 CFAERP C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](CC2CC2)CC1 ZINC000048995517 522101134 /nfs/dbraw/zinc/10/11/34/522101134.db2.gz HIWGNWQLWQFEDF-UHFFFAOYSA-N 2 0 293.842 2.591 10 0 CFAERP C[NH2+]Cc1cc(Cl)ccc1OCCC[NH+]1CCCC1 ZINC000049331821 522111640 /nfs/dbraw/zinc/11/16/40/522111640.db2.gz IKCLBENTFNCHOD-UHFFFAOYSA-N 2 0 282.815 2.924 10 0 CFAERP C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000052373067 522116651 /nfs/dbraw/zinc/11/66/51/522116651.db2.gz ZBSSYLSTOWWEFD-OAHLLOKOSA-N 2 0 270.376 2.989 10 0 CFAERP COc1cc(C[NH3+])cc(Cl)c1OCCC[NH+]1CCCC1 ZINC000049331762 522361742 /nfs/dbraw/zinc/36/17/42/522361742.db2.gz UUTQPSPACCGONN-UHFFFAOYSA-N 2 0 298.814 2.672 10 0 CFAERP C[N@H+](CCC[C@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000052764583 522786882 /nfs/dbraw/zinc/78/68/82/522786882.db2.gz KDJXFMFCFLURQC-OAHLLOKOSA-N 2 0 250.361 2.790 10 0 CFAERP C[N@H+](CCOc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231669302 522917710 /nfs/dbraw/zinc/91/77/10/522917710.db2.gz WLBNYSBCPSITFL-ZDUSSCGKSA-N 2 0 282.815 2.793 10 0 CFAERP CC[C@H]1CCC[N@@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180412 523107871 /nfs/dbraw/zinc/10/78/71/523107871.db2.gz IWNFPRDPJBLLNN-HNNXBMFYSA-N 2 0 268.445 2.656 10 0 CFAERP CC[C@H]1CCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052375096 523109967 /nfs/dbraw/zinc/10/99/67/523109967.db2.gz RSGXHJQHXQDORW-ZDUSSCGKSA-N 2 0 265.401 2.937 10 0 CFAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCCCC[NH2+]CC(C)C ZINC000052571160 523344298 /nfs/dbraw/zinc/34/42/98/523344298.db2.gz YRRWJCYLAONMKR-HOTGVXAUSA-N 2 0 270.461 2.902 10 0 CFAERP C[N@H+](Cc1ccccc1C[NH2+]C1CC1)[C@@H]1CCSC1 ZINC000052453655 523360528 /nfs/dbraw/zinc/36/05/28/523360528.db2.gz VQZBPGOPSCSOAE-MRXNPFEDSA-N 2 0 276.449 2.876 10 0 CFAERP C[N@H+](Cc1cccnc1C(N)=[NH2+])C1CCCCCC1 ZINC000061658041 523420293 /nfs/dbraw/zinc/42/02/93/523420293.db2.gz RVOCZFPHWCRSMR-UHFFFAOYSA-N 2 0 260.385 2.520 10 0 CFAERP CCn1cc[nH+]c1NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000050614143 523550631 /nfs/dbraw/zinc/55/06/31/523550631.db2.gz BSVGVUJPHZABMV-ZFWWWQNUSA-N 2 0 264.417 2.825 10 0 CFAERP CC[C@H](C)C[N@H+](C)CCOc1ccccc1C[NH2+]C ZINC000052454109 523866940 /nfs/dbraw/zinc/86/69/40/523866940.db2.gz WDIIPOGDVWDPQN-AWEZNQCLSA-N 2 0 264.413 2.763 10 0 CFAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000049557296 524164547 /nfs/dbraw/zinc/16/45/47/524164547.db2.gz CZTVSIGLKSHTMH-KDOFPFPSSA-N 2 0 286.419 2.803 10 0 CFAERP Cc1ccc(C)c(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231668976 524176441 /nfs/dbraw/zinc/17/64/41/524176441.db2.gz WMUJUJJOTXGKTO-INIZCTEOSA-N 2 0 276.424 2.756 10 0 CFAERP C[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])ccc2F)[C@@H]1C ZINC000050563680 524232391 /nfs/dbraw/zinc/23/23/91/524232391.db2.gz HYZQUDIMKCGOGP-VXGBXAGGSA-N 2 0 250.361 2.905 10 0 CFAERP Cc1cc(C)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)n1 ZINC000051694364 524333817 /nfs/dbraw/zinc/33/38/17/524333817.db2.gz WOSIBGZJQDJJAN-NFOMZHRRSA-N 2 0 261.413 2.927 10 0 CFAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380701 524456475 /nfs/dbraw/zinc/45/64/75/524456475.db2.gz KHHAAOZEWNMNMM-MELADBBJSA-N 2 0 256.434 2.652 10 0 CFAERP C[C@@H](CCC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417336 524458078 /nfs/dbraw/zinc/45/80/78/524458078.db2.gz IYOJLUNKTSTJGO-INIZCTEOSA-N 2 0 287.451 2.729 10 0 CFAERP Cc1ccc(Cl)cc1NC(=O)C[NH2+]CCCC[NH+](C)C ZINC000045697874 524741515 /nfs/dbraw/zinc/74/15/15/524741515.db2.gz ZOTLKLNLOCSSLO-UHFFFAOYSA-N 2 0 297.830 2.518 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CC[C@H]([NH3+])c1ccccc1 ZINC000049147237 524747141 /nfs/dbraw/zinc/74/71/41/524747141.db2.gz KGHNWBNNPPRBQC-CJNGLKHVSA-N 2 0 258.365 2.890 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205745 524747831 /nfs/dbraw/zinc/74/78/31/524747831.db2.gz GMAMQFCKSDJHQZ-KGLIPLIRSA-N 2 0 250.386 2.675 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CCC[C@H]1CCCC[NH2+]1 ZINC000050953495 524747970 /nfs/dbraw/zinc/74/79/70/524747970.db2.gz VKQDNTWCEUZKJT-ZIAGYGMSSA-N 2 0 250.386 2.723 10 0 CFAERP C[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C[NH3+])C[C@H](C)O1 ZINC000052380578 524979367 /nfs/dbraw/zinc/97/93/67/524979367.db2.gz DAENFDIVZHGLKT-TXEJJXNPSA-N 2 0 290.432 2.969 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000050563671 525639747 /nfs/dbraw/zinc/63/97/47/525639747.db2.gz UWDRSOYPCZCFEZ-UONOGXRCSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(C)(C)CC1 ZINC000061818786 526135680 /nfs/dbraw/zinc/13/56/80/526135680.db2.gz WTLPCBXZKOLFOU-CYBMUJFWSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@@H](c1cccs1)[N@H+](C)Cc1occc1C[NH3+] ZINC000052506668 526146705 /nfs/dbraw/zinc/14/67/05/526146705.db2.gz YQUYAZMTCLQBGR-JTQLQIEISA-N 2 0 250.367 2.993 10 0 CFAERP C[C@H]1CCCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052378784 526251773 /nfs/dbraw/zinc/25/17/73/526251773.db2.gz URYKUBIZGHHOLA-LBPRGKRZSA-N 2 0 265.401 2.937 10 0 CFAERP Fc1cccc(C[NH+]2CCC(C[NH2+]C3CC3)CC2)c1 ZINC000053660084 526384217 /nfs/dbraw/zinc/38/42/17/526384217.db2.gz YKHLMAPMMSMYHC-UHFFFAOYSA-N 2 0 262.372 2.790 10 0 CFAERP c1ccc([C@@H]2C[C@H]2[NH2+]CCCC2CC[NH2+]CC2)cc1 ZINC000050953978 526494460 /nfs/dbraw/zinc/49/44/60/526494460.db2.gz UCVSMMPMZVORRC-DLBZAZTESA-N 2 0 258.409 2.912 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000218958400 526753026 /nfs/dbraw/zinc/75/30/26/526753026.db2.gz IOLDEBKWQIQZEZ-ZWKOPEQDSA-N 2 0 267.442 2.928 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(Cl)cc1 ZINC000054629176 527147752 /nfs/dbraw/zinc/14/77/52/527147752.db2.gz VPVKNVUYNYPISJ-GOOCMWNKSA-N 2 0 264.800 2.837 10 0 CFAERP [NH3+]C[C@H](C[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000050910493 527225195 /nfs/dbraw/zinc/22/51/95/527225195.db2.gz NUPDSPLZNLDYAJ-QGZVFWFLSA-N 2 0 252.361 2.745 10 0 CFAERP [NH3+]Cc1ccoc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373077 527261989 /nfs/dbraw/zinc/26/19/89/527261989.db2.gz IWVWCWJWEMTFPF-HNNXBMFYSA-N 2 0 256.349 2.728 10 0 CFAERP C[NH2+][C@H](C)c1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000042394381 536406641 /nfs/dbraw/zinc/40/66/41/536406641.db2.gz ALFBMWQAWHBZJE-CQSZACIVSA-N 2 0 275.440 2.745 10 0 CFAERP C[C@H]1C[C@H]2[NH2+]CCC[C@@H]2[C@H](C[C@@H]2CCCC[NH2+]2)C1 ZINC000004098402 560195709 /nfs/dbraw/zinc/19/57/09/560195709.db2.gz HLJWSLBSLJLQBA-LYYZXLFJSA-N 2 0 250.430 2.933 10 0 in-vitro CFAERP C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000252950132 617668340 /nfs/dbraw/zinc/66/83/40/617668340.db2.gz CQYYKUHKWIMHEK-MXWKQRLJSA-N 2 0 288.844 2.819 10 0 CFAERP c1csc([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000178979809 618280411 /nfs/dbraw/zinc/28/04/11/618280411.db2.gz NAQAITWTXZWUAF-CYBMUJFWSA-N 2 0 265.426 2.670 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1Cl ZINC000261549280 619170232 /nfs/dbraw/zinc/17/02/32/619170232.db2.gz KHXDSHFEMGZPCS-MWLCHTKSSA-N 2 0 253.777 2.607 10 0 CFAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000227118649 623098181 /nfs/dbraw/zinc/09/81/81/623098181.db2.gz OOCKYVGIIUAGEP-AEGPPILISA-N 2 0 260.381 2.617 10 0 CFAERP Cc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)cc[nH+]1 ZINC000261576122 623546989 /nfs/dbraw/zinc/54/69/89/623546989.db2.gz BWNJCGZKNQXDCA-INIZCTEOSA-N 2 0 253.349 2.689 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000089148450 650829218 /nfs/dbraw/zinc/82/92/18/650829218.db2.gz LUMZPMLCUIDXBF-PXWWUCIGSA-N 2 0 254.324 2.743 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000251227453 650985613 /nfs/dbraw/zinc/98/56/13/650985613.db2.gz ABTWUJGSLRCXAH-VHRBIJSZSA-N 2 0 266.360 2.612 10 0 CFAERP C[NH2+][C@](C)(CO)CCCC[NH+](CC(C)C)CC(C)C ZINC000085241508 178981886 /nfs/dbraw/zinc/98/18/86/178981886.db2.gz GOIOVXTXJPWCFJ-INIZCTEOSA-N 2 0 272.477 2.741 10 0 CFAERP C[N@@H+]1CCC[C@@](C[NH3+])(N(Cc2ccsc2)C2CC2)CC1 ZINC000086819394 179347925 /nfs/dbraw/zinc/34/79/25/179347925.db2.gz DSHYIXMCTJGOMQ-MRXNPFEDSA-N 2 0 293.480 2.526 10 0 CFAERP Cc1ccc(OC[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818855 179348224 /nfs/dbraw/zinc/34/82/24/179348224.db2.gz PVHSENGPMZWTFL-CVEARBPZSA-N 2 0 276.424 2.836 10 0 CFAERP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000086817212 179344322 /nfs/dbraw/zinc/34/43/22/179344322.db2.gz HPEJKIZAKWGUNP-IUODEOHRSA-N 2 0 250.361 2.961 10 0 CFAERP CCC[C@H](COC)[NH2+][C@@H]1CCC[N@H+](CCC)CC1 ZINC000086845537 179354361 /nfs/dbraw/zinc/35/43/61/179354361.db2.gz KIICBSLYZTXXMY-HUUCEWRRSA-N 2 0 256.434 2.656 10 0 CFAERP CCC[N@@H+]1CCC[C@](CC(=O)OCC)([NH+]2CCCC2)CC1 ZINC000086868527 179360480 /nfs/dbraw/zinc/36/04/80/179360480.db2.gz OUAXFIXISFKESY-KRWDZBQOSA-N 2 0 296.455 2.670 10 0 CFAERP CCOC(=O)C[C@]1([NH+](CC)CC)CCC[N@H+](CC)CC1 ZINC000086868548 179360969 /nfs/dbraw/zinc/36/09/69/179360969.db2.gz JLCMGZDGECCOST-INIZCTEOSA-N 2 0 284.444 2.526 10 0 CFAERP CC(C)[NH2+]C[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725269342 539626802 /nfs/dbraw/zinc/62/68/02/539626802.db2.gz RWZWITADZHKMKB-CQSZACIVSA-N 2 0 256.393 2.955 10 0 CFAERP [NH3+][C@H]1CC[C@H](CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000584600601 348684931 /nfs/dbraw/zinc/68/49/31/348684931.db2.gz PTJVENXUBXYLGL-QAQDUYKDSA-N 2 0 287.451 2.716 10 0 CFAERP CCCC[C@@](C=C=C(C)C)(CC)C[NH2+]CCNCCO ZINC000584602910 348686303 /nfs/dbraw/zinc/68/63/03/348686303.db2.gz CVLPAMDPFWKSFJ-QGZVFWFLSA-N 2 0 282.472 2.866 10 0 CFAERP [NH3+]C[C@@H](CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000584636003 348698089 /nfs/dbraw/zinc/69/80/89/348698089.db2.gz KKWJACSXWSZOMM-MRXNPFEDSA-N 2 0 284.403 2.604 10 0 CFAERP CC[NH+](CC)CCOc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000584636631 348698391 /nfs/dbraw/zinc/69/83/91/348698391.db2.gz HNPHZNDWCXMJOU-UHFFFAOYSA-N 2 0 285.391 2.968 10 0 CFAERP [NH3+][C@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000091303770 180130721 /nfs/dbraw/zinc/13/07/21/180130721.db2.gz QFCLGAXSDGIWMG-KURKYZTESA-N 2 0 264.372 2.916 10 0 CFAERP C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000120451898 186900644 /nfs/dbraw/zinc/90/06/44/186900644.db2.gz QIZCVWWEWRRGDX-XEZPLFJOSA-N 2 0 262.397 2.686 10 0 CFAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCCCC1 ZINC000312461806 539861882 /nfs/dbraw/zinc/86/18/82/539861882.db2.gz WAUJTSWHVAVUNG-WBVHZDCISA-N 2 0 282.472 2.782 10 0 CFAERP CC1(C)C[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC(C)(C)O1 ZINC000226429283 540726057 /nfs/dbraw/zinc/72/60/57/540726057.db2.gz PFWAIHMTYRGWBX-GOOCMWNKSA-N 2 0 280.456 2.797 10 0 CFAERP O[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044873 189234195 /nfs/dbraw/zinc/23/41/95/189234195.db2.gz XOHCTJDVRJYQHX-QZTJIDSGSA-N 2 0 288.435 2.574 10 0 CFAERP CC(C)[NH+]1CCC(Oc2ccc(C[NH+](C)C)cc2)CC1 ZINC000013613424 372035748 /nfs/dbraw/zinc/03/57/48/372035748.db2.gz GXDDZXKMWVFNHP-UHFFFAOYSA-N 2 0 276.424 3.000 10 0 CFAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cncs3)C2)[nH+]1 ZINC000092813081 375159765 /nfs/dbraw/zinc/15/97/65/375159765.db2.gz OEWBCIPULKUMTP-ZDUSSCGKSA-N 2 0 288.420 2.781 10 0 CFAERP OCC[C@H]([NH2+]C1CC1)[C@H]1CCCCN1Cc1ccccc1 ZINC000100282890 375618410 /nfs/dbraw/zinc/61/84/10/375618410.db2.gz YSMUWALXYCLLEY-ZWKOTPCHSA-N 2 0 288.435 2.544 10 0 CFAERP FC(F)(F)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335655533 379670912 /nfs/dbraw/zinc/67/09/12/379670912.db2.gz XDAFBLDREVBROT-ACDMLXGOSA-N 2 0 276.346 2.980 10 0 CFAERP CCC1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCOCC1 ZINC000336619289 380560890 /nfs/dbraw/zinc/56/08/90/380560890.db2.gz MCWGDEXCVSIRTF-QGZVFWFLSA-N 2 0 280.456 2.611 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000400446983 380862345 /nfs/dbraw/zinc/86/23/45/380862345.db2.gz PVYMNBGCTVKMFK-IUCAKERBSA-N 2 0 289.242 2.598 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400335735 380855701 /nfs/dbraw/zinc/85/57/01/380855701.db2.gz FWNSEYWEKAMICZ-BFYDXBDKSA-N 2 0 276.424 2.569 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400393375 380857416 /nfs/dbraw/zinc/85/74/16/380857416.db2.gz OQDBTHOEDHWXCI-HOSYDEDBSA-N 2 0 254.324 2.613 10 0 CFAERP C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400428156 380858574 /nfs/dbraw/zinc/85/85/74/380858574.db2.gz ZHBANLJEOHZUDX-NWDGAFQWSA-N 2 0 252.427 2.613 10 0 CFAERP C[C@@H](CCN[C@@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379638722 382508332 /nfs/dbraw/zinc/50/83/32/382508332.db2.gz ALDYBHYSMBKHOZ-FUHWJXTLSA-N 2 0 289.467 2.629 10 0 CFAERP C[C@@H]1C[N@@H+](C(C2CCC2)C2CCC2)C[C@@]1(C)C[NH3+] ZINC000381138139 382518224 /nfs/dbraw/zinc/51/82/24/382518224.db2.gz BWPDAIYJAZWWCO-MLGOLLRUSA-N 2 0 250.430 2.872 10 0 CFAERP C[NH+](C)C(C)(C)CNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000043412002 184559859 /nfs/dbraw/zinc/55/98/59/184559859.db2.gz KZUDQMWGZJWCPO-CYBMUJFWSA-N 2 0 277.437 2.760 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000575439570 382771382 /nfs/dbraw/zinc/77/13/82/382771382.db2.gz HRDDICKEHYLEHD-NSHDSACASA-N 2 0 275.165 2.717 10 0 CFAERP Clc1ccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000226349309 382827095 /nfs/dbraw/zinc/82/70/95/382827095.db2.gz ANKDPHSDNMFCRX-JTQLQIEISA-N 2 0 258.818 2.533 10 0 CFAERP CN(Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231453950 382864971 /nfs/dbraw/zinc/86/49/71/382864971.db2.gz SRZHRLTXEPTJOQ-CYBMUJFWSA-N 2 0 254.324 2.539 10 0 CFAERP CN(Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231456265 382865031 /nfs/dbraw/zinc/86/50/31/382865031.db2.gz WYIUQXWCFMZISF-NSHDSACASA-N 2 0 272.314 2.678 10 0 CFAERP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247136996 383147402 /nfs/dbraw/zinc/14/74/02/383147402.db2.gz QQXGQJOHLXCZJI-RYQLBKOJSA-N 2 0 290.451 2.562 10 0 CFAERP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC000567641537 383296722 /nfs/dbraw/zinc/29/67/22/383296722.db2.gz MNWGHSJSARLPKI-NUJGCVRESA-N 2 0 290.451 2.817 10 0 CFAERP Cc1cc(NCCC[NH2+]C(C)C)c2ccccc2[nH+]1 ZINC000521987743 383319152 /nfs/dbraw/zinc/31/91/52/383319152.db2.gz MCFUQNDQMCBEPD-UHFFFAOYSA-N 2 0 257.381 2.765 10 0 CFAERP CCCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634998178 383453252 /nfs/dbraw/zinc/45/32/52/383453252.db2.gz BUSMMPHWWXGIJS-DZGCQCFKSA-N 2 0 262.397 2.502 10 0 CFAERP CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000635000364 383457478 /nfs/dbraw/zinc/45/74/78/383457478.db2.gz MUXVZYBJVOOUOZ-ZFWWWQNUSA-N 2 0 262.397 2.502 10 0 CFAERP Cc1[nH+]ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000261555321 383509928 /nfs/dbraw/zinc/50/99/28/383509928.db2.gz BIMZBUGNFSDABU-SDDRHHMPSA-N 2 0 265.788 2.607 10 0 CFAERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261556986 383511493 /nfs/dbraw/zinc/51/14/93/383511493.db2.gz CLCAIFJXJGVFHW-GZBFAFLISA-N 2 0 264.800 2.818 10 0 CFAERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261556988 383511665 /nfs/dbraw/zinc/51/16/65/383511665.db2.gz CLCAIFJXJGVFHW-YDHLFZDLSA-N 2 0 264.800 2.818 10 0 CFAERP Cc1cccnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261658800 383538587 /nfs/dbraw/zinc/53/85/87/383538587.db2.gz IBRYXIXSYOGHPF-SJORKVTESA-N 2 0 281.403 2.564 10 0 CFAERP COC[C@@]1(CNc2cc(C)[nH+]c3ccccc23)CCC[NH2+]1 ZINC000261690862 383543015 /nfs/dbraw/zinc/54/30/15/383543015.db2.gz NJQPAVSUFXLIAI-KRWDZBQOSA-N 2 0 285.391 2.724 10 0 CFAERP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261950054 383584908 /nfs/dbraw/zinc/58/49/08/383584908.db2.gz OCLDOHLHTOZWCS-XHSDSOJGSA-N 2 0 294.826 2.587 10 0 CFAERP C[C@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@H]1[NH3+] ZINC000262104868 383604952 /nfs/dbraw/zinc/60/49/52/383604952.db2.gz VWAZSUDQOLPXQW-XHDPSFHLSA-N 2 0 274.339 2.865 10 0 CFAERP C[N@H+](C[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000381588738 393564294 /nfs/dbraw/zinc/56/42/94/393564294.db2.gz DBOJSESHJYLWEM-CHWSQXEVSA-N 2 0 260.372 2.886 10 0 CFAERP Cc1cc(NC[C@H]2CCC[NH2+]C2)c2ccccc2[nH+]1 ZINC000044503182 393564688 /nfs/dbraw/zinc/56/46/88/393564688.db2.gz WHHJZJDRWSNYLE-ZDUSSCGKSA-N 2 0 255.365 2.955 10 0 CFAERP C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000381735739 393566962 /nfs/dbraw/zinc/56/69/62/393566962.db2.gz TWZVPQVCNUQJJC-AGIUHOORSA-N 2 0 260.372 2.729 10 0 CFAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000195275890 393736498 /nfs/dbraw/zinc/73/64/98/393736498.db2.gz CHHJUCQOPVQXSN-MRXNPFEDSA-N 2 0 291.515 2.713 10 0 CFAERP C[C@H]1CN(c2ccnc3cc(Cl)ccc32)C[C@@H]1[NH3+] ZINC000235716124 393784631 /nfs/dbraw/zinc/78/46/31/393784631.db2.gz SZULWFHHNUGVBB-CABZTGNLSA-N 2 0 261.756 2.672 10 0 CFAERP C[N@H+](C[C@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000300241412 397636916 /nfs/dbraw/zinc/63/69/16/397636916.db2.gz DTCDPRYAIVEBNE-CABCVRRESA-N 2 0 274.408 2.627 10 0 CFAERP CC[NH+](CC)CCn1c(N)[nH+]c2cc(C)c(C)cc21 ZINC000006869551 170251392 /nfs/dbraw/zinc/25/13/92/170251392.db2.gz CABDYGSLBYFYKQ-UHFFFAOYSA-N 2 0 260.385 2.577 10 0 CFAERP [NH3+]CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000011889040 170453610 /nfs/dbraw/zinc/45/36/10/170453610.db2.gz LYSAIRCVBFMZQF-UHFFFAOYSA-N 2 0 252.789 2.553 10 0 CFAERP CC[NH+](CC)CCOc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000019255288 170758721 /nfs/dbraw/zinc/75/87/21/170758721.db2.gz REDXNIMAISPALC-AWEZNQCLSA-N 2 0 264.413 2.687 10 0 CFAERP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365685 171164371 /nfs/dbraw/zinc/16/43/71/171164371.db2.gz LMRROSWOEOHSNG-HRCADAONSA-N 2 0 299.503 2.780 10 0 CFAERP Cc1cc(OC[C@H](CC[NH3+])[NH+](C)C)cc(C)c1Cl ZINC000020401685 171182342 /nfs/dbraw/zinc/18/23/42/171182342.db2.gz YVBDDIZOMAUGQS-LBPRGKRZSA-N 2 0 270.804 2.615 10 0 CFAERP C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152264 171359758 /nfs/dbraw/zinc/35/97/58/171359758.db2.gz WTFBONZDUCITTC-CQSZACIVSA-N 2 0 289.423 2.738 10 0 CFAERP CC[C@H]([NH3+])c1ccc(OCC[NH+](CC)CC)cc1 ZINC000022223736 171379750 /nfs/dbraw/zinc/37/97/50/171379750.db2.gz AVVSJQNNMDFSSF-HNNXBMFYSA-N 2 0 250.386 2.817 10 0 CFAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)Cc2ccco2)C1 ZINC000035700791 172369338 /nfs/dbraw/zinc/36/93/38/172369338.db2.gz PMCGLVPFKSSKOS-VNHYZAJKSA-N 2 0 250.386 2.865 10 0 CFAERP CCC(CC)[N@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000036788598 172706762 /nfs/dbraw/zinc/70/67/62/172706762.db2.gz DBEGKEUQBUTXKU-UHFFFAOYSA-N 2 0 264.413 2.687 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]C(C2CC2)C2CC2)CC1 ZINC000037220968 173039704 /nfs/dbraw/zinc/03/97/04/173039704.db2.gz BNSMQZZDJZXNBV-LBPRGKRZSA-N 2 0 250.430 2.885 10 0 CFAERP C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000665283755 414253646 /nfs/dbraw/zinc/25/36/46/414253646.db2.gz ULLSLJBBLPAXJI-GOTCIRLWSA-N 2 0 250.430 2.933 10 0 CFAERP C[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404405 174253721 /nfs/dbraw/zinc/25/37/21/174253721.db2.gz BNJVTSHBPIJJHJ-SNVBAGLBSA-N 2 0 280.803 2.661 10 0 CFAERP C[C@H]([NH3+])c1nc2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404402 174253824 /nfs/dbraw/zinc/25/38/24/174253824.db2.gz BNJVTSHBPIJJHJ-JTQLQIEISA-N 2 0 280.803 2.661 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000040593488 174347468 /nfs/dbraw/zinc/34/74/68/174347468.db2.gz ONWIYMPTTRBXLE-DOTOQJQBSA-N 2 0 290.451 2.948 10 0 CFAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(O)cc2)C1 ZINC000040621301 174355251 /nfs/dbraw/zinc/35/52/51/174355251.db2.gz MKUFQPTYUZSJJC-KBPBESRZSA-N 2 0 262.397 2.773 10 0 CFAERP [NH3+]Cc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000040693617 174377576 /nfs/dbraw/zinc/37/75/76/174377576.db2.gz ONHIKCWEILDZRM-UHFFFAOYSA-N 2 0 287.451 2.596 10 0 CFAERP C[C@@H](CCc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749030 174393551 /nfs/dbraw/zinc/39/35/51/174393551.db2.gz SSYOYMBBUCDKDE-LNRIEFBSSA-N 2 0 258.409 2.962 10 0 CFAERP COc1ccc([C@@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040749381 174394050 /nfs/dbraw/zinc/39/40/50/174394050.db2.gz JFBWWFGIPHZFIW-NDNKKMJESA-N 2 0 278.371 2.849 10 0 CFAERP COc1ccccc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749357 174394137 /nfs/dbraw/zinc/39/41/37/174394137.db2.gz RLNDVIMFCJQSHZ-FUDCBSFHSA-N 2 0 260.381 2.710 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c2cccnc12 ZINC000040750277 174395068 /nfs/dbraw/zinc/39/50/68/174395068.db2.gz BVUSRSQTHINEAE-AGUYFDCRSA-N 2 0 285.366 2.828 10 0 CFAERP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247301737 287295631 /nfs/dbraw/zinc/29/56/31/287295631.db2.gz ZSFKEYNLUUPEAY-QBPKDAKJSA-N 2 0 282.472 2.638 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccsc1)N(C)C1CC[NH+](CC)CC1 ZINC000043124000 174977293 /nfs/dbraw/zinc/97/72/93/174977293.db2.gz JPCSBEPEMNRLDM-JKSUJKDBSA-N 2 0 295.496 2.943 10 0 CFAERP C[C@@H]([NH3+])[C@H](N1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000043293203 174998263 /nfs/dbraw/zinc/99/82/63/174998263.db2.gz WJPAFKMECJWYKC-ZBFHGGJFSA-N 2 0 281.488 2.699 10 0 CFAERP CC[C@H]([NH3+])[C@H](N(C)C1CC[NH+](CC)CC1)C(C)(C)C ZINC000043294569 174998906 /nfs/dbraw/zinc/99/89/06/174998906.db2.gz AWENABXDSNBIFO-GJZGRUSLSA-N 2 0 269.477 2.555 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043364758 175025333 /nfs/dbraw/zinc/02/53/33/175025333.db2.gz YATSNJFDUAGKNQ-GOEBONIOSA-N 2 0 293.455 2.783 10 0 CFAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CC[NH+](C(C)(C)C)CC2)c1 ZINC000043394358 175034915 /nfs/dbraw/zinc/03/49/15/175034915.db2.gz OTVLNIKHGSTXPZ-QGZVFWFLSA-N 2 0 289.467 2.719 10 0 CFAERP CCCC[C@H](CC)C[N@@H+]1CCCN(CCCC[NH3+])CC1 ZINC000043454529 175050231 /nfs/dbraw/zinc/05/02/31/175050231.db2.gz SMHCCRCNRAKRCE-KRWDZBQOSA-N 2 0 283.504 2.949 10 0 CFAERP C[C@@H](C[NH3+])C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000043511974 175060503 /nfs/dbraw/zinc/06/05/03/175060503.db2.gz MNDRSDMZIIGTPD-JTQLQIEISA-N 2 0 260.303 2.732 10 0 CFAERP CCC(CC)[N@H+](CCC[C@H]1CCC[NH2+]C1)CCOC ZINC000043592079 175074451 /nfs/dbraw/zinc/07/44/51/175074451.db2.gz FBIZWSJWKQGBTO-OAHLLOKOSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805635 175107720 /nfs/dbraw/zinc/10/77/20/175107720.db2.gz GCOOCAHZPYUIFW-KSZLIROESA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1ccccc1C ZINC000043806231 175108105 /nfs/dbraw/zinc/10/81/05/175108105.db2.gz MJXVGJPPHIASTI-GOSISDBHSA-N 2 0 289.467 2.673 10 0 CFAERP CCC[NH2+][C@H](c1ccccc1)[C@@H](CC)N1CC[NH+](C)CC1 ZINC000043811069 175110399 /nfs/dbraw/zinc/11/03/99/175110399.db2.gz MMZZCIHYZVLKRV-QZTJIDSGSA-N 2 0 289.467 2.753 10 0 CFAERP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)C(C)C)c1 ZINC000043813269 175111181 /nfs/dbraw/zinc/11/11/81/175111181.db2.gz BKSVXOPVGXZUNE-LBPRGKRZSA-N 2 0 250.386 2.816 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895736 175119466 /nfs/dbraw/zinc/11/94/66/175119466.db2.gz UUJRMYHILFZGKA-JYJNAYRXSA-N 2 0 298.471 2.627 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C(CC)CC)OCCO2 ZINC000043896191 175119616 /nfs/dbraw/zinc/11/96/16/175119616.db2.gz NKSGOHAWPDTVMZ-CVEARBPZSA-N 2 0 298.471 2.771 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043897200 175119955 /nfs/dbraw/zinc/11/99/55/175119955.db2.gz RHKJGWKVVLKWEZ-DLBZAZTESA-N 2 0 283.504 2.959 10 0 CFAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccc(C)cc1C ZINC000043896951 175120082 /nfs/dbraw/zinc/12/00/82/175120082.db2.gz QPXFNWDKNZUKNH-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897077 175120139 /nfs/dbraw/zinc/12/01/39/175120139.db2.gz OSPIMYQUWUURBX-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](CN1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000043907803 175123281 /nfs/dbraw/zinc/12/32/81/175123281.db2.gz IPEAISYJRIPEAF-KRWDZBQOSA-N 2 0 295.515 2.961 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OCC)c(C[N@H+](C)CCOC)c1 ZINC000043916152 175125254 /nfs/dbraw/zinc/12/52/54/175125254.db2.gz NUPSREWFISADLT-CQSZACIVSA-N 2 0 294.439 2.834 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965584 175127218 /nfs/dbraw/zinc/12/72/18/175127218.db2.gz WHBVBYXMFWVCMT-JKSUJKDBSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965632 175127396 /nfs/dbraw/zinc/12/73/96/175127396.db2.gz ZFQUVIIQEDVJOB-HOTGVXAUSA-N 2 0 283.504 2.959 10 0 CFAERP CC[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000043970669 175131690 /nfs/dbraw/zinc/13/16/90/175131690.db2.gz KVDNPYLZRQKDLF-GOSISDBHSA-N 2 0 289.467 2.611 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970703 175132046 /nfs/dbraw/zinc/13/20/46/175132046.db2.gz CPDCJSRXKNQMCD-QZTJIDSGSA-N 2 0 295.515 2.961 10 0 CFAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982166 175134140 /nfs/dbraw/zinc/13/41/40/175134140.db2.gz NYCSOVDHGCXMGG-ZACQAIPSSA-N 2 0 283.504 2.673 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982190 175134243 /nfs/dbraw/zinc/13/42/43/175134243.db2.gz NZZXZFPQGILEQN-IAGOWNOFSA-N 2 0 283.504 2.817 10 0 CFAERP CCc1ccc([C@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000044169779 175148608 /nfs/dbraw/zinc/14/86/08/175148608.db2.gz OYLZTCPQZDNMSA-GOSISDBHSA-N 2 0 290.451 2.556 10 0 CFAERP Cc1cc(NCC2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000044509267 175186982 /nfs/dbraw/zinc/18/69/82/175186982.db2.gz UIWRTBRGZPVFJQ-UHFFFAOYSA-N 2 0 255.365 2.955 10 0 CFAERP [NH3+]CC1CC[NH+]([C@H](c2cccs2)C2CC2)CC1 ZINC000044512389 175188282 /nfs/dbraw/zinc/18/82/82/175188282.db2.gz ULJQHWJFODSTET-AWEZNQCLSA-N 2 0 250.411 2.870 10 0 CFAERP C[NH+]1CCC(C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000044516187 175189944 /nfs/dbraw/zinc/18/99/44/175189944.db2.gz GNWZDABPKUBXMM-UHFFFAOYSA-N 2 0 296.798 2.500 10 0 CFAERP CC[NH+]1CCC(C[NH2+]C2CCN(CC=C(C)C)CC2)CC1 ZINC000044517817 175191003 /nfs/dbraw/zinc/19/10/03/175191003.db2.gz SXQAIRIPFNTUDC-UHFFFAOYSA-N 2 0 293.499 2.739 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2scnc2C)CC1 ZINC000044517851 175191051 /nfs/dbraw/zinc/19/10/51/175191051.db2.gz LSRWHXZOXJEYNF-NSHDSACASA-N 2 0 267.442 2.834 10 0 CFAERP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000044746868 175242610 /nfs/dbraw/zinc/24/26/10/175242610.db2.gz QUKJMSKPXBBWRB-KRWDZBQOSA-N 2 0 274.408 2.845 10 0 CFAERP C[N@H+](CCCOc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068667 175300684 /nfs/dbraw/zinc/30/06/84/175300684.db2.gz UDADIKHYZSPZDX-UHFFFAOYSA-N 2 0 264.413 2.892 10 0 CFAERP NCC1([N@@H+]2CCC[C@H]2C2CCCC2)CCSCC1 ZINC000045071108 175301422 /nfs/dbraw/zinc/30/14/22/175301422.db2.gz KPPOSGPHLREXIE-AWEZNQCLSA-N 2 0 268.470 2.866 10 0 CFAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCC[C@H]2C2CCCC2)CC1 ZINC000045071283 175301494 /nfs/dbraw/zinc/30/14/94/175301494.db2.gz SEBNBBKGKGNIET-KRWDZBQOSA-N 2 0 293.499 2.843 10 0 CFAERP c1cc(C[NH+]2CCCCC2)sc1C[NH2+]C1CC1 ZINC000045206499 175328397 /nfs/dbraw/zinc/32/83/97/175328397.db2.gz UQBUKPMRTYORNI-UHFFFAOYSA-N 2 0 250.411 2.986 10 0 CFAERP CC(C)C[NH+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045420427 175378384 /nfs/dbraw/zinc/37/83/84/175378384.db2.gz YYQSLHWZVAPIAN-KRWDZBQOSA-N 2 0 299.503 2.623 10 0 CFAERP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C[NH3+])[C@H](C)C1 ZINC000071263616 176097056 /nfs/dbraw/zinc/09/70/56/176097056.db2.gz HWVOPZYSQJFMQJ-VXGBXAGGSA-N 2 0 250.361 2.905 10 0 CFAERP [NH3+][C@@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000071584853 176209978 /nfs/dbraw/zinc/20/99/78/176209978.db2.gz FZIHZPJTCSLZGN-SJORKVTESA-N 2 0 258.409 2.821 10 0 CFAERP COc1cccc([C@@H](CC[NH3+])C[NH+]2CCCCC2)c1 ZINC000076676249 177056280 /nfs/dbraw/zinc/05/62/80/177056280.db2.gz AGYHCEYKOVRDOL-HNNXBMFYSA-N 2 0 262.397 2.614 10 0 CFAERP COc1cc(C)c([C@H](CC[NH3+])C[NH+](C)C)cc1Cl ZINC000076710785 177067661 /nfs/dbraw/zinc/06/76/61/177067661.db2.gz RVWJTMHHZZITFY-LLVKDONJSA-N 2 0 270.804 2.651 10 0 CFAERP COc1c(C)cc(Cl)cc1[C@H](CC[NH3+])C[NH+](C)C ZINC000076710789 177068022 /nfs/dbraw/zinc/06/80/22/177068022.db2.gz FYZHFJIGIWNHCJ-LLVKDONJSA-N 2 0 270.804 2.651 10 0 CFAERP C[C@@H]1CCCN(c2cc[nH+]c3ccccc32)[C@H]1C[NH3+] ZINC000252122611 287360932 /nfs/dbraw/zinc/36/09/32/287360932.db2.gz JOOFFJOPLVZLIW-WBMJQRKESA-N 2 0 255.365 2.798 10 0 CFAERP Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000398332305 270322004 /nfs/dbraw/zinc/32/20/04/270322004.db2.gz IQMWPNJNSAIXDM-JTQLQIEISA-N 2 0 276.277 2.544 10 0 CFAERP C[C@@H]([NH2+]CCCCOCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521423698 262326319 /nfs/dbraw/zinc/32/63/19/262326319.db2.gz HNAVNVZLKWUCDX-AEFFLSMTSA-N 2 0 290.451 2.961 10 0 CFAERP CC1CC[NH+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630775 276196858 /nfs/dbraw/zinc/19/68/58/276196858.db2.gz IBDIRGVEXRJIFN-XHSDSOJGSA-N 2 0 280.456 2.512 10 0 CFAERP Cc1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000185655417 281169382 /nfs/dbraw/zinc/16/93/82/281169382.db2.gz WSHUDNNVFCUREQ-CQSZACIVSA-N 2 0 267.376 2.828 10 0 CFAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+](C)C)C1 ZINC000185295119 281309238 /nfs/dbraw/zinc/30/92/38/281309238.db2.gz OJJJXIQQJYMEEU-AWEZNQCLSA-N 2 0 269.392 2.992 10 0 CFAERP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000312646871 290016411 /nfs/dbraw/zinc/01/64/11/290016411.db2.gz FAQYRDIHJYOESZ-USXIJHARSA-N 2 0 274.408 2.645 10 0 CFAERP CC(C)[NH2+]Cc1ccoc1C[N@@H+]1CCCSCC1 ZINC000052371030 519728074 /nfs/dbraw/zinc/72/80/74/519728074.db2.gz ILNBLUGALUBIHP-UHFFFAOYSA-N 2 0 268.426 2.717 10 0 CFAERP CC(C)C[NH2+]CC1(C[NH+]2CCCCCC2)CCOCC1 ZINC000052180829 519742696 /nfs/dbraw/zinc/74/26/96/519742696.db2.gz UNVYBCMYUSPKGD-UHFFFAOYSA-N 2 0 282.472 2.905 10 0 CFAERP CCC[NH2+]Cc1cc(C[N@H+](CCC)C(C)C)on1 ZINC000052450345 519945432 /nfs/dbraw/zinc/94/54/32/519945432.db2.gz QWNZIRYHGSKOGO-UHFFFAOYSA-N 2 0 253.390 2.795 10 0 CFAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000052381596 519987682 /nfs/dbraw/zinc/98/76/82/519987682.db2.gz DINQQJOAXDMRBU-GFCCVEGCSA-N 2 0 250.386 2.929 10 0 CFAERP CC[N@H+](CC1CC1)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000069239834 520958536 /nfs/dbraw/zinc/95/85/36/520958536.db2.gz JFHDILRDHUIRBP-MRXNPFEDSA-N 2 0 268.445 2.513 10 0 CFAERP CCC[N@H+](CC)CCOc1cccc(C[NH2+]CC)c1 ZINC000052448360 521611880 /nfs/dbraw/zinc/61/18/80/521611880.db2.gz DBGGQMNLLPPUAI-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP C[NH2+]Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)oc1C ZINC000052420589 522106621 /nfs/dbraw/zinc/10/66/21/522106621.db2.gz FMXDCHJQVUMENX-TXEJJXNPSA-N 2 0 250.386 2.785 10 0 CFAERP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482386 518398269 /nfs/dbraw/zinc/39/82/69/518398269.db2.gz POPDOJGTQCAQQM-IDCNUPLLSA-N 2 0 292.467 2.798 10 0 CFAERP CC(C)(C)[NH2+]CCCCC[N@@H+]1CCCSCC1 ZINC000052371132 518755069 /nfs/dbraw/zinc/75/50/69/518755069.db2.gz KGNYSUGWFVWPGB-UHFFFAOYSA-N 2 0 258.475 2.984 10 0 CFAERP CC(C)(C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000052417263 518755771 /nfs/dbraw/zinc/75/57/71/518755771.db2.gz SXRGSZQDMOFEPN-UHFFFAOYSA-N 2 0 289.467 2.977 10 0 CFAERP CC(C)(C)[NH2+]CCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702277 518758707 /nfs/dbraw/zinc/75/87/07/518758707.db2.gz OFHNQLYGRFIUBW-INIZCTEOSA-N 2 0 276.424 2.666 10 0 CFAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382065 518761638 /nfs/dbraw/zinc/76/16/38/518761638.db2.gz ZOGLEFAAMFWQKS-LSDHHAIUSA-N 2 0 268.445 2.798 10 0 CFAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374536 518763033 /nfs/dbraw/zinc/76/30/33/518763033.db2.gz ASYCGYIFJAEJLV-SJORKVTESA-N 2 0 288.435 2.938 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346230 519723765 /nfs/dbraw/zinc/72/37/65/519723765.db2.gz MPZOFTJHGLWXIX-DLBZAZTESA-N 2 0 294.414 2.803 10 0 CFAERP CC(C)[NH2+]Cc1cc(C[N@H+](C)[C@H](C)C(C)C)on1 ZINC000052478485 519726195 /nfs/dbraw/zinc/72/61/95/519726195.db2.gz LAIBTXCALYFNEB-GFCCVEGCSA-N 2 0 253.390 2.649 10 0 CFAERP CC(C)[NH2+]Cc1cccc(OCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000052484479 519727185 /nfs/dbraw/zinc/72/71/85/519727185.db2.gz QZNWLTLLOKRNGB-HNNXBMFYSA-N 2 0 276.424 2.905 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@H+](C)C2CCCC2)CCOCC1 ZINC000052181355 519742851 /nfs/dbraw/zinc/74/28/51/519742851.db2.gz JBVDWWYPPANEQZ-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479270 519745393 /nfs/dbraw/zinc/74/53/93/519745393.db2.gz BLULJXOXUQXVOW-CWRNSKLLSA-N 2 0 268.445 2.510 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479271 519746373 /nfs/dbraw/zinc/74/63/73/519746373.db2.gz BLULJXOXUQXVOW-NUEKZKHPSA-N 2 0 268.445 2.510 10 0 CFAERP CCC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052347082 519859053 /nfs/dbraw/zinc/85/90/53/519859053.db2.gz NSUYTSXMOLURFZ-IRXDYDNUSA-N 2 0 282.472 2.902 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000052180692 519909631 /nfs/dbraw/zinc/90/96/31/519909631.db2.gz BTUXZYDPHXMBNF-HNNXBMFYSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC000052197539 519910369 /nfs/dbraw/zinc/91/03/69/519910369.db2.gz HISMCYLXTJUTKO-UHFFFAOYSA-N 2 0 270.461 2.761 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000052180950 519910374 /nfs/dbraw/zinc/91/03/74/519910374.db2.gz PBIFRSRWVJWNDY-UHFFFAOYSA-N 2 0 290.451 2.915 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000052198220 519911048 /nfs/dbraw/zinc/91/10/48/519911048.db2.gz ZRCPGGMXISFTSS-HOTGVXAUSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[NH2+]CC1(C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180553 519911304 /nfs/dbraw/zinc/91/13/04/519911304.db2.gz MDLFJQOOJTYAFW-HZPDHXFCSA-N 2 0 282.472 2.761 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)C2CCCCC2)CCOCC1 ZINC000052181022 519912221 /nfs/dbraw/zinc/91/22/21/519912221.db2.gz BIVIDFJNDXHRFL-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[NH2+]C[C@@H](OCCC[NH+](C)C)c1ccccc1 ZINC000052672711 519921898 /nfs/dbraw/zinc/92/18/98/519921898.db2.gz PHEQJLWGFKCMJO-MRXNPFEDSA-N 2 0 264.413 2.696 10 0 CFAERP CCOCC[N@@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000174736292 519922989 /nfs/dbraw/zinc/92/29/89/519922989.db2.gz ZIIWXRVOXSWDTI-HNNXBMFYSA-N 2 0 299.418 2.782 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCC)C(C)C)O1 ZINC000052450571 519925482 /nfs/dbraw/zinc/92/54/82/519925482.db2.gz AQZMWTMDOPDMBF-GJZGRUSLSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417533 519936426 /nfs/dbraw/zinc/93/64/26/519936426.db2.gz KMMPDUCSDFDEEN-SJORKVTESA-N 2 0 276.424 2.666 10 0 CFAERP CCC[NH2+]Cc1cc(C[N@H+](C)CCC(C)C)on1 ZINC000052545859 519945022 /nfs/dbraw/zinc/94/50/22/519945022.db2.gz ZZWPXVGVPBGMES-UHFFFAOYSA-N 2 0 253.390 2.652 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C(C)(C)C)CC2)O1 ZINC000052373677 519955591 /nfs/dbraw/zinc/95/55/91/519955591.db2.gz JFHJLEHFFAGBRH-JKSUJKDBSA-N 2 0 282.472 2.902 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000052484488 519999853 /nfs/dbraw/zinc/99/98/53/519999853.db2.gz CTGUNQCMJKMLPD-AWEZNQCLSA-N 2 0 262.397 2.517 10 0 CFAERP CC[NH2+]Cc1ccccc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503408 520006706 /nfs/dbraw/zinc/00/67/06/520006706.db2.gz OKMDLVQKXNVNFJ-UHFFFAOYSA-N 2 0 291.483 2.816 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)C(C)C ZINC000052419586 520007681 /nfs/dbraw/zinc/00/76/81/520007681.db2.gz OCBMUKROUVYTKZ-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000052381359 520009142 /nfs/dbraw/zinc/00/91/42/520009142.db2.gz RCRBFWTVDVPXDL-OAHLLOKOSA-N 2 0 276.424 2.907 10 0 CFAERP CC[NH2+]Cc1coc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000052420765 520017489 /nfs/dbraw/zinc/01/74/89/520017489.db2.gz LAVQSGUERXLXOI-CHWSQXEVSA-N 2 0 250.386 2.867 10 0 CFAERP CC[NH2+]Cc1oc(CN(CC[NH+](C)C)CC(C)C)cc1C ZINC000052503430 520028640 /nfs/dbraw/zinc/02/86/40/520028640.db2.gz PETOWSYMTMXEGX-UHFFFAOYSA-N 2 0 295.471 2.717 10 0 CFAERP CC[NH2+]Cc1oc(C[NH+]2CCC(C)CC2)cc1C ZINC000052377244 520028843 /nfs/dbraw/zinc/02/88/43/520028843.db2.gz RQLBRIAFTUIZJZ-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP CCCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401383 520274289 /nfs/dbraw/zinc/27/42/89/520274289.db2.gz HBQFIPVPSGVYSW-MRXNPFEDSA-N 2 0 280.387 2.675 10 0 CFAERP CCCC[N@H+](CCn1cc(C[NH2+]CCC)nn1)[C@H](C)CC ZINC000052372712 520541868 /nfs/dbraw/zinc/54/18/68/520541868.db2.gz SBJDUEIFQLPURY-OAHLLOKOSA-N 2 0 295.475 2.678 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050939685 520633147 /nfs/dbraw/zinc/63/31/47/520633147.db2.gz PSOQGWBQLTUNAV-JKSUJKDBSA-N 2 0 297.487 2.535 10 0 CFAERP CC[N@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CC1 ZINC000052181260 520938776 /nfs/dbraw/zinc/93/87/76/520938776.db2.gz PWQOWPRVRARZKA-UHFFFAOYSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[C@H](C)[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052480649 521034289 /nfs/dbraw/zinc/03/42/89/521034289.db2.gz JQGKMPAATVNABD-AWEZNQCLSA-N 2 0 264.413 2.905 10 0 CFAERP CCC[C@H](CN1CCC([NH+]2CCCCC2)CC1)[NH2+]CC ZINC000050185102 521099952 /nfs/dbraw/zinc/09/99/52/521099952.db2.gz MVSZPPSMGCQEHZ-MRXNPFEDSA-N 2 0 281.488 2.715 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N(CCC)CC[NH+](C)C ZINC000069380644 521253221 /nfs/dbraw/zinc/25/32/21/521253221.db2.gz KQGCEQSPALXOCP-OAHLLOKOSA-N 2 0 257.466 2.558 10 0 CFAERP CC[NH+]1CCC(C[NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000051754371 521551518 /nfs/dbraw/zinc/55/15/18/521551518.db2.gz MDZREZJPNZUVIY-UHFFFAOYSA-N 2 0 271.408 2.989 10 0 CFAERP CCC(CC)[N@H+](CCOC)Cc1cc(C[NH3+])oc1C ZINC000052573354 521559054 /nfs/dbraw/zinc/55/90/54/521559054.db2.gz VWPDEGFRWBBRCG-UHFFFAOYSA-N 2 0 268.401 2.684 10 0 CFAERP CCOC1CC[NH+](C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052483971 521656083 /nfs/dbraw/zinc/65/60/83/521656083.db2.gz AAXOXWQWQJRGRP-ZDUSSCGKSA-N 2 0 256.434 2.512 10 0 CFAERP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050944938 521905513 /nfs/dbraw/zinc/90/55/13/521905513.db2.gz LEXVCBZKGJQIHQ-HNNXBMFYSA-N 2 0 289.423 2.609 10 0 CFAERP CC[C@@H](C)[N@H+](CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052547241 522093607 /nfs/dbraw/zinc/09/36/07/522093607.db2.gz LLODAOBNCVDMFU-UONOGXRCSA-N 2 0 258.450 2.758 10 0 CFAERP C[NH2+]Cc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)o1 ZINC000052420870 522108940 /nfs/dbraw/zinc/10/89/40/522108940.db2.gz XDCKUFAJXSTZOJ-RYUDHWBXSA-N 2 0 250.386 2.785 10 0 CFAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)oc1C ZINC000052373281 522109238 /nfs/dbraw/zinc/10/92/38/522109238.db2.gz HVGOEJACVNSMMS-NEPJUHHUSA-N 2 0 250.386 2.928 10 0 CFAERP C[NH2+]Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000052378826 522122752 /nfs/dbraw/zinc/12/27/52/522122752.db2.gz XHWJONCFJKFJHT-AWEZNQCLSA-N 2 0 262.397 2.659 10 0 CFAERP CC[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2C[NH3+])CC1 ZINC000055063352 522134677 /nfs/dbraw/zinc/13/46/77/522134677.db2.gz LBQZDVKMLGDLCD-GFCCVEGCSA-N 2 0 281.831 2.719 10 0 CFAERP C[NH2+]Cc1occc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373078 522165549 /nfs/dbraw/zinc/16/55/49/522165549.db2.gz WJARODYRFMNMQU-HNNXBMFYSA-N 2 0 270.376 2.989 10 0 CFAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)C[C@H]1CCCO1 ZINC000052541034 522726409 /nfs/dbraw/zinc/72/64/09/522726409.db2.gz ZNUWHYRFGBLKQL-CQSZACIVSA-N 2 0 256.434 2.656 10 0 CFAERP CC[C@H]1CCC[N@@H+]1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180425 523109697 /nfs/dbraw/zinc/10/96/97/523109697.db2.gz BKBQZKZKXOVMTH-INIZCTEOSA-N 2 0 282.472 2.903 10 0 CFAERP C[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000231669211 523180472 /nfs/dbraw/zinc/18/04/72/523180472.db2.gz QXGOPGVBHZVTDD-MRXNPFEDSA-N 2 0 287.382 2.948 10 0 CFAERP C[N@H+](Cc1oc2ccccc2c1C[NH3+])[C@H]1CCSC1 ZINC000052453437 523617872 /nfs/dbraw/zinc/61/78/72/523617872.db2.gz NFRYWGZNDDGLJW-NSHDSACASA-N 2 0 276.405 2.829 10 0 CFAERP COCC[N@H+](C1CC1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374655 523640825 /nfs/dbraw/zinc/64/08/25/523640825.db2.gz UBLONLJGTHYESO-UHFFFAOYSA-N 2 0 294.361 2.547 10 0 CFAERP C[N@@H+]1CCCN(Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052424163 523809320 /nfs/dbraw/zinc/80/93/20/523809320.db2.gz PIRUGVMLGZUAII-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP C[N@@H+]1CCCN([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)CC1 ZINC000052424441 523810895 /nfs/dbraw/zinc/81/08/95/523810895.db2.gz OIWBQEJXNVZKGN-KRWDZBQOSA-N 2 0 289.467 2.753 10 0 CFAERP C[N@@H+]1CCC[C@H]1CCOc1ccc(C[NH3+])cc1Cl ZINC000062793334 523850727 /nfs/dbraw/zinc/85/07/27/523850727.db2.gz NZLSROIOVQBZTL-LBPRGKRZSA-N 2 0 268.788 2.662 10 0 CFAERP CC[C@H](C)C[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052454148 523868095 /nfs/dbraw/zinc/86/80/95/523868095.db2.gz BPHFPJSLSLHFSM-AWEZNQCLSA-N 2 0 264.413 2.763 10 0 CFAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCCOCC(F)(F)F ZINC000049312201 524104641 /nfs/dbraw/zinc/10/46/41/524104641.db2.gz UPQVTGOPKYACBP-CYBMUJFWSA-N 2 0 296.377 2.810 10 0 CFAERP C[C@@H]1CCCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052378782 524114670 /nfs/dbraw/zinc/11/46/70/524114670.db2.gz URYKUBIZGHHOLA-GFCCVEGCSA-N 2 0 265.401 2.937 10 0 CFAERP C[C@H](C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482241 524478365 /nfs/dbraw/zinc/47/83/65/524478365.db2.gz BUTQTPYLARMFDV-QLFBSQMISA-N 2 0 250.430 2.887 10 0 CFAERP C[C@@H](C[NH2+]C1CC1)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346140 524732675 /nfs/dbraw/zinc/73/26/75/524732675.db2.gz PHTBHVVVTHPODO-LBPRGKRZSA-N 2 0 250.361 2.646 10 0 CFAERP C[C@@H](Cc1ccco1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197391 524925670 /nfs/dbraw/zinc/92/56/70/524925670.db2.gz GICGUIMPDVSLLZ-BBRMVZONSA-N 2 0 262.397 2.675 10 0 CFAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000052380781 524993960 /nfs/dbraw/zinc/99/39/60/524993960.db2.gz DCLWHUXSKAISBJ-OKILXGFUSA-N 2 0 274.408 2.548 10 0 CFAERP C[C@@H]([NH3+])CCc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049331748 524998789 /nfs/dbraw/zinc/99/87/89/524998789.db2.gz XXHCRYJOORCXOE-OAHLLOKOSA-N 2 0 276.424 2.831 10 0 CFAERP C[C@@H]1C[N@@H+]([C@@H]2CCCc3sccc32)CC[C@@H]1[NH3+] ZINC000061363730 525058386 /nfs/dbraw/zinc/05/83/86/525058386.db2.gz XARAKQYCZGBIIH-KGYLQXTDSA-N 2 0 250.411 2.795 10 0 CFAERP c1ccc(N2CC[NH+](CCC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000050952334 526480889 /nfs/dbraw/zinc/48/08/89/526480889.db2.gz KIYCILFYGYPOES-KRWDZBQOSA-N 2 0 287.451 2.731 10 0 CFAERP Cc1oc(C[NH2+]C2CC2)cc1C[N@@H+](C)CC(C)C ZINC000052452850 526774725 /nfs/dbraw/zinc/77/47/25/526774725.db2.gz AUIHKMNDJTVBER-UHFFFAOYSA-N 2 0 250.386 2.928 10 0 CFAERP Cc1[nH+]ccc(N(C)CC[C@H]([NH3+])C(C)C)c1Cl ZINC000310565468 527344782 /nfs/dbraw/zinc/34/47/82/527344782.db2.gz XJHZMEYZZMHUDX-NSHDSACASA-N 2 0 255.793 2.853 10 0 CFAERP C[NH+](C)C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250361193 535954339 /nfs/dbraw/zinc/95/43/39/535954339.db2.gz TYHVGNFLVJRTEK-SQNIBIBYSA-N 2 0 287.451 2.506 10 0 CFAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cncc(F)c1 ZINC000396462156 574355166 /nfs/dbraw/zinc/35/51/66/574355166.db2.gz QIZXCEVVVYLORI-VXGBXAGGSA-N 2 0 265.376 2.602 10 0 CFAERP CC[C@H]1C[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](CC)O1 ZINC000398567460 574368691 /nfs/dbraw/zinc/36/86/91/574368691.db2.gz OLSTZQLIXDVTPW-QHEDDYRISA-N 2 0 280.456 2.797 10 0 CFAERP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261772121 618425994 /nfs/dbraw/zinc/42/59/94/618425994.db2.gz DSWLINRWIQFNBT-DLBZAZTESA-N 2 0 287.451 2.587 10 0 CFAERP CCc1nc(CC[NH+](C)C)sc1C[NH2+]CC(C)C ZINC000082425750 178000872 /nfs/dbraw/zinc/00/08/72/178000872.db2.gz WQFPSSYJOWCIJC-UHFFFAOYSA-N 2 0 269.458 2.555 10 0 CFAERP CCc1cc(N2CC[C@@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000124596589 187145061 /nfs/dbraw/zinc/14/50/61/187145061.db2.gz HWTUWWGGVCHVGA-CQSZACIVSA-N 2 0 269.392 2.938 10 0 CFAERP Cn1cc[nH+]c1NC[C@@H]1CCC[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096081926 185090724 /nfs/dbraw/zinc/09/07/24/185090724.db2.gz UCLBPFVFOBGKKS-ARFHVFGLSA-N 2 0 288.439 2.590 10 0 CFAERP Fc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](CC3CC3)C[C@H]2C1 ZINC000096081409 185091606 /nfs/dbraw/zinc/09/16/06/185091606.db2.gz QTOBBNNUIBYUOG-WBVHZDCISA-N 2 0 288.410 2.989 10 0 CFAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000151343345 529618937 /nfs/dbraw/zinc/61/89/37/529618937.db2.gz DCSNXMRMSJWTBO-IRXDYDNUSA-N 2 0 282.472 2.782 10 0 CFAERP C[C@H]([NH3+])c1ccc(CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000142158867 347933268 /nfs/dbraw/zinc/93/32/68/347933268.db2.gz NQADLLPMDOTIIS-AWEZNQCLSA-N 2 0 275.440 2.622 10 0 CFAERP COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818650 179347714 /nfs/dbraw/zinc/34/77/14/179347714.db2.gz RMUKWALHHZYZHG-UKRRQHHQSA-N 2 0 262.397 2.830 10 0 CFAERP CCN(c1ccc(C)cc1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819521 179347894 /nfs/dbraw/zinc/34/78/94/179347894.db2.gz MTNNEJPJNSDOQQ-KRWDZBQOSA-N 2 0 275.440 2.635 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000086817309 179344422 /nfs/dbraw/zinc/34/44/22/179344422.db2.gz IHNYUMYBNCCJLN-HNNXBMFYSA-N 2 0 286.423 2.500 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000086817213 179344761 /nfs/dbraw/zinc/34/47/61/179344761.db2.gz HPEJKIZAKWGUNP-WFASDCNBSA-N 2 0 250.361 2.961 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000086817389 179345430 /nfs/dbraw/zinc/34/54/30/179345430.db2.gz MAJPOLOTHHIASP-WFASDCNBSA-N 2 0 250.361 2.961 10 0 CFAERP C[NH+](C)Cc1cccc(N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086817836 179346178 /nfs/dbraw/zinc/34/61/78/179346178.db2.gz UPPKEAKZNKGOJZ-OAHLLOKOSA-N 2 0 261.413 2.644 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2F)CC1 ZINC000086848371 179356395 /nfs/dbraw/zinc/35/63/95/179356395.db2.gz YNWDJGCDDLAFBS-KRWDZBQOSA-N 2 0 293.430 2.854 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CC)CC(C)C)CC1 ZINC000086846865 179356957 /nfs/dbraw/zinc/35/69/57/179356957.db2.gz FKOLIZJPKDUMEW-INIZCTEOSA-N 2 0 269.477 2.558 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839292 179350926 /nfs/dbraw/zinc/35/09/26/179350926.db2.gz DYHKXHUEEAAHCO-GOEBONIOSA-N 2 0 290.455 2.652 10 0 CFAERP CC(C)[N@@H+]1CCC[C@H](NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086842104 179352473 /nfs/dbraw/zinc/35/24/73/179352473.db2.gz POALVXJCKNOTMG-MSOLQXFVSA-N 2 0 295.515 2.961 10 0 CFAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000250496501 348287923 /nfs/dbraw/zinc/28/79/23/348287923.db2.gz JLJGPEYPFDWSCN-PBHICJAKSA-N 2 0 258.409 2.994 10 0 CFAERP CC(C)[NH+]1CCC(C[NH3+])(Nc2cccc(Cl)c2)CC1 ZINC000087913518 179521391 /nfs/dbraw/zinc/52/13/91/179521391.db2.gz QOCQPWDTJZVSSE-UHFFFAOYSA-N 2 0 281.831 2.954 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[C@H]1CC2CCC1CC2 ZINC000400361031 348572836 /nfs/dbraw/zinc/57/28/36/348572836.db2.gz CBHZQRPMLDQILI-SOUHLBGMSA-N 2 0 250.430 2.789 10 0 CFAERP COc1ccc(C[NH2+][C@H]2CCCC23CC[NH2+]CC3)cc1 ZINC000584640437 348699434 /nfs/dbraw/zinc/69/94/34/348699434.db2.gz HGVSFBBEOBUTOZ-INIZCTEOSA-N 2 0 274.408 2.707 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000089148544 179724549 /nfs/dbraw/zinc/72/45/49/179724549.db2.gz WRXLQEPQBVFERQ-DOTOQJQBSA-N 2 0 273.424 2.822 10 0 CFAERP C[C@@H]1CC[N@@H+](CCOC2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000104439106 186002425 /nfs/dbraw/zinc/00/24/25/186002425.db2.gz MQGJBPIURJGYMF-GASCZTMLSA-N 2 0 268.445 2.798 10 0 CFAERP Cc1[nH+]ccc(N2CCCCC[C@@H]([NH3+])C2)c1Cl ZINC000630549947 355108761 /nfs/dbraw/zinc/10/87/61/355108761.db2.gz QZKKFBWDLYUJBZ-LLVKDONJSA-N 2 0 253.777 2.751 10 0 CFAERP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841575 355603728 /nfs/dbraw/zinc/60/37/28/355603728.db2.gz MMTCCONIDRGJGX-JQWIXIFHSA-N 2 0 272.314 2.732 10 0 CFAERP FC1(F)CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423075180 237506693 /nfs/dbraw/zinc/50/66/93/237506693.db2.gz NZSJICUZLWCREF-JHJVBQTASA-N 2 0 258.356 2.685 10 0 CFAERP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381662524 540698295 /nfs/dbraw/zinc/69/82/95/540698295.db2.gz JXASEVMIIVWYBA-MJBXVCDLSA-N 2 0 272.383 2.743 10 0 CFAERP O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044822 189234544 /nfs/dbraw/zinc/23/45/44/189234544.db2.gz XOHCTJDVRJYQHX-ROUUACIJSA-N 2 0 288.435 2.574 10 0 CFAERP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136357464 541297522 /nfs/dbraw/zinc/29/75/22/541297522.db2.gz HLXLZOUWXCOUGX-MRXNPFEDSA-N 2 0 291.439 2.840 10 0 CFAERP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136357426 541297604 /nfs/dbraw/zinc/29/76/04/541297604.db2.gz HLXLZOUWXCOUGX-INIZCTEOSA-N 2 0 291.439 2.840 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000251693930 299382006 /nfs/dbraw/zinc/38/20/06/299382006.db2.gz LUMZPMLCUIDXBF-NURSFMCSSA-N 2 0 254.324 2.743 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000250639539 189966918 /nfs/dbraw/zinc/96/69/18/189966918.db2.gz VSNRIHKVDALSQM-NOLJZWGESA-N 2 0 262.397 2.863 10 0 CFAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000081516321 374700774 /nfs/dbraw/zinc/70/07/74/374700774.db2.gz AJLLMYQZLMMQCO-AEFFLSMTSA-N 2 0 290.451 2.558 10 0 CFAERP Cc1cc(N(C)CC(C)(C)C[NH3+])c2ccccc2[nH+]1 ZINC000093874769 375327739 /nfs/dbraw/zinc/32/77/39/375327739.db2.gz PHVWHXWCJJYNSS-UHFFFAOYSA-N 2 0 257.381 2.964 10 0 CFAERP C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000111824578 375872660 /nfs/dbraw/zinc/87/26/60/375872660.db2.gz ANVXPDGJQJSJCI-CQSZACIVSA-N 2 0 252.789 2.914 10 0 CFAERP COc1ccccc1C[C@@H]([NH2+]CCC[NH+](C)C)C(C)C ZINC000151958618 378377704 /nfs/dbraw/zinc/37/77/04/378377704.db2.gz IAGGAQXXJLLBAO-MRXNPFEDSA-N 2 0 278.440 2.804 10 0 CFAERP CCc1nccn1[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172163284 379508178 /nfs/dbraw/zinc/50/81/78/379508178.db2.gz VHDOITPRPGADPH-MRXNPFEDSA-N 2 0 284.407 2.720 10 0 CFAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000174224795 379847505 /nfs/dbraw/zinc/84/75/05/379847505.db2.gz ZJEKSTABQSUTGX-WMZOPIPTSA-N 2 0 290.451 2.558 10 0 CFAERP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC(C)(C)C1 ZINC000174354894 379870639 /nfs/dbraw/zinc/87/06/39/379870639.db2.gz KAGWAQNCAWGEIR-SJORKVTESA-N 2 0 295.515 2.818 10 0 CFAERP CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178971719 380496759 /nfs/dbraw/zinc/49/67/59/380496759.db2.gz TXQWTOICSJMXOY-QGZVFWFLSA-N 2 0 288.435 2.838 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000400737983 380864214 /nfs/dbraw/zinc/86/42/14/380864214.db2.gz KKNLESWHFUGHEG-WCQYABFASA-N 2 0 297.240 2.579 10 0 CFAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000400437139 380858638 /nfs/dbraw/zinc/85/86/38/380858638.db2.gz LOLGZYPXYZWPLE-GVXVVHGQSA-N 2 0 284.350 2.937 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000400436863 380859711 /nfs/dbraw/zinc/85/97/11/380859711.db2.gz MYDGCTDAUCVUMI-ONGXEEELSA-N 2 0 256.752 2.567 10 0 CFAERP C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@H]1CC[NH2+]C1 ZINC000400473334 380861889 /nfs/dbraw/zinc/86/18/89/380861889.db2.gz YVZSUGYTHIKXNO-BDAKNGLRSA-N 2 0 289.242 2.598 10 0 CFAERP C[C@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400480304 380862096 /nfs/dbraw/zinc/86/20/96/380862096.db2.gz FIYLYKWINOPHEC-DZGCQCFKSA-N 2 0 254.377 2.927 10 0 CFAERP CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000182064820 380979542 /nfs/dbraw/zinc/97/95/42/380979542.db2.gz XQACSMCCTPLIMX-TWMKSMIVSA-N 2 0 294.483 2.900 10 0 CFAERP [NH2+]=C(c1ccc(C(=[NH2+])N2CCCC2)cc1)N1CCCC1 ZINC000000226932 169580279 /nfs/dbraw/zinc/58/02/79/169580279.db2.gz KGMPSJOVBCLGFS-UHFFFAOYSA-N 2 0 270.380 2.529 10 0 CFAERP C[C@H](CCc1ccccc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382276651 382529302 /nfs/dbraw/zinc/52/93/02/382529302.db2.gz CNEBYLYOHUMURS-BFYDXBDKSA-N 2 0 260.425 2.924 10 0 CFAERP C[C@@H](CCOCc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000389912667 382617308 /nfs/dbraw/zinc/61/73/08/382617308.db2.gz KWYNUDDDALQZMH-OOHWJJMZSA-N 2 0 276.424 2.841 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000575438991 382771424 /nfs/dbraw/zinc/77/14/24/382771424.db2.gz HRDDICKEHYLEHD-LLVKDONJSA-N 2 0 275.165 2.717 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000575438736 382771467 /nfs/dbraw/zinc/77/14/67/382771467.db2.gz FYZRQMYFAALRIJ-LLVKDONJSA-N 2 0 275.165 2.717 10 0 CFAERP CC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000246501798 383078910 /nfs/dbraw/zinc/07/89/10/383078910.db2.gz XUSPVNZDTKXDSA-LSDHHAIUSA-N 2 0 299.418 2.516 10 0 CFAERP CC[C@@](C)(O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249325094 383340092 /nfs/dbraw/zinc/34/00/92/383340092.db2.gz GUGJOGGXANXRIW-QZTJIDSGSA-N 2 0 290.451 2.601 10 0 CFAERP Cc1scc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000635015491 383471604 /nfs/dbraw/zinc/47/16/04/383471604.db2.gz BKWRNGWDEJCMHA-WCQYABFASA-N 2 0 252.427 2.843 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@@H]12 ZINC000261698513 383545311 /nfs/dbraw/zinc/54/53/11/383545311.db2.gz NXNDCWJPJZLIFQ-SGIREYDYSA-N 2 0 285.366 2.543 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000261726105 383548058 /nfs/dbraw/zinc/54/80/58/383548058.db2.gz KURILYZDTFCRBI-FPMFFAJLSA-N 2 0 284.325 2.875 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3csc(-c4ccco4)n3)C[C@H]12 ZINC000261719504 383548074 /nfs/dbraw/zinc/54/80/74/383548074.db2.gz KEPNIMWNYFVSNW-KGYLQXTDSA-N 2 0 289.404 2.572 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3csc(-c4ccco4)n3)C[C@H]12 ZINC000261719508 383548713 /nfs/dbraw/zinc/54/87/13/383548713.db2.gz KEPNIMWNYFVSNW-WCFLWFBJSA-N 2 0 289.404 2.572 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@H](C)[C@@H]2C[NH3+])c1Cl ZINC000261554846 383510192 /nfs/dbraw/zinc/51/01/92/383510192.db2.gz PEENBAKRVVLYML-CABZTGNLSA-N 2 0 253.777 2.607 10 0 CFAERP C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261625602 383530479 /nfs/dbraw/zinc/53/04/79/383530479.db2.gz DICXHHFSYABDPJ-OLMNPRSZSA-N 2 0 281.403 2.817 10 0 CFAERP CC1(C)Cc2cccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2O1 ZINC000261631507 383532467 /nfs/dbraw/zinc/53/24/67/383532467.db2.gz HSKIFPYNKNHKAW-CWRNSKLLSA-N 2 0 286.419 2.569 10 0 CFAERP CCc1oc2ccccc2c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261936380 383582645 /nfs/dbraw/zinc/58/26/45/383582645.db2.gz DGURJKCFYMDNSK-RISCZKNCSA-N 2 0 258.365 2.774 10 0 CFAERP CCc1csc([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261961736 383587022 /nfs/dbraw/zinc/58/70/22/383587022.db2.gz HJJJVDPGBCSJPS-CZUORRHYSA-N 2 0 293.480 2.885 10 0 CFAERP C[N@H+](C[C@H]1CCC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC000262005000 383594049 /nfs/dbraw/zinc/59/40/49/383594049.db2.gz ULLHYNAEQMGBFA-HNNXBMFYSA-N 2 0 258.409 2.650 10 0 CFAERP CC(C)COc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000262017595 383595210 /nfs/dbraw/zinc/59/52/10/383595210.db2.gz MWCBEDUNNMBMMA-BBRMVZONSA-N 2 0 262.397 2.500 10 0 CFAERP Cc1csc([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262063141 383600946 /nfs/dbraw/zinc/60/09/46/383600946.db2.gz RINGHDUCTXKUTL-ZFWWWQNUSA-N 2 0 279.453 2.631 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc(-c4cccs4)on3)C[C@@H]12 ZINC000261756420 383554344 /nfs/dbraw/zinc/55/43/44/383554344.db2.gz NIMHPIIOZJTPGB-CYZMBNFOSA-N 2 0 289.404 2.572 10 0 CFAERP CC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[C@@H]1[NH3+] ZINC000122973913 413007492 /nfs/dbraw/zinc/00/74/92/413007492.db2.gz WQLZUOZHIARYMF-JSGCOSHPSA-N 2 0 255.365 2.798 10 0 CFAERP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1F ZINC000400354890 393600991 /nfs/dbraw/zinc/60/09/91/393600991.db2.gz LSMZSNPVIJQTRS-OBJOEFQTSA-N 2 0 250.361 2.783 10 0 CFAERP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246407022 393866393 /nfs/dbraw/zinc/86/63/93/393866393.db2.gz RHWXDSMMESCZAV-WBVHZDCISA-N 2 0 260.425 2.891 10 0 CFAERP COCC[N@@H+]1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@@H]1C ZINC000248732649 393914235 /nfs/dbraw/zinc/91/42/35/393914235.db2.gz NFVQMWRNPRSEFO-HNNXBMFYSA-N 2 0 299.418 2.700 10 0 CFAERP Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000261825600 393950370 /nfs/dbraw/zinc/95/03/70/393950370.db2.gz UJCCHRKOVIRPDU-UKRRQHHQSA-N 2 0 267.376 2.731 10 0 CFAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000155046678 394308639 /nfs/dbraw/zinc/30/86/39/394308639.db2.gz VMBYSTKERCHKNX-IXDOHACOSA-N 2 0 295.515 2.817 10 0 CFAERP CC(C)(C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000647512612 395367635 /nfs/dbraw/zinc/36/76/35/395367635.db2.gz IRJSETZHOHMZRQ-IMJJTQAJSA-N 2 0 258.409 2.633 10 0 CFAERP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000036959977 543025124 /nfs/dbraw/zinc/02/51/24/543025124.db2.gz GIPYWHMEJOLKRM-QWHCGFSZSA-N 2 0 250.386 2.969 10 0 CFAERP Cc1cccc2c(N3CC[C@H]([NH+]4CC=CC4)C3)cc[nH+]c12 ZINC000301663696 397638767 /nfs/dbraw/zinc/63/87/67/397638767.db2.gz KPBSIXWFMFGXDC-HNNXBMFYSA-N 2 0 279.387 2.994 10 0 CFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000247399386 287086445 /nfs/dbraw/zinc/08/64/45/287086445.db2.gz YGKRNQIXJCVJIC-HZPDHXFCSA-N 2 0 290.451 2.772 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000019433060 170798497 /nfs/dbraw/zinc/79/84/97/170798497.db2.gz FNXCAFGSYYEPJI-HNNXBMFYSA-N 2 0 285.476 2.522 10 0 CFAERP C[N@H+](Cc1ccc(C[NH3+])cc1)Cc1cccc(F)c1 ZINC000020266393 171123052 /nfs/dbraw/zinc/12/30/52/171123052.db2.gz MAEFCGCEUFPEPP-UHFFFAOYSA-N 2 0 258.340 2.916 10 0 CFAERP CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365686 171164065 /nfs/dbraw/zinc/16/40/65/171164065.db2.gz LMRROSWOEOHSNG-PMPSAXMXSA-N 2 0 299.503 2.780 10 0 CFAERP [NH3+]CC[C@@H](COc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000020401987 171182632 /nfs/dbraw/zinc/18/26/32/171182632.db2.gz HMIRNOUNOMVEDX-ZDUSSCGKSA-N 2 0 268.788 2.532 10 0 CFAERP CCCc1ccc([C@@H]([NH3+])CN2CC[NH+](CCC)CC2)cc1 ZINC000022562752 171391137 /nfs/dbraw/zinc/39/11/37/171391137.db2.gz NIQCIYRYPKCJQP-SFHVURJKSA-N 2 0 289.467 2.667 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccncc2)C1 ZINC000037221163 173040343 /nfs/dbraw/zinc/04/03/43/173040343.db2.gz FEFPCKRFBMESDW-ZBFHGGJFSA-N 2 0 261.413 2.682 10 0 CFAERP C=COCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000037221605 173042322 /nfs/dbraw/zinc/04/23/22/173042322.db2.gz OBOMHMALPHXXTK-CABCVRRESA-N 2 0 254.418 2.637 10 0 CFAERP CCC[N@H+](CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000037299553 173103857 /nfs/dbraw/zinc/10/38/57/173103857.db2.gz WPAYTCGPIMUZJC-UHFFFAOYSA-N 2 0 257.381 2.796 10 0 CFAERP CC[NH+](CC)CCOc1c(C)cc(CC[NH3+])cc1C ZINC000037720277 173638084 /nfs/dbraw/zinc/63/80/84/173638084.db2.gz SSFLEDJQLUARAN-UHFFFAOYSA-N 2 0 264.413 2.525 10 0 CFAERP Cc1cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc[nH+]1 ZINC000656609514 414616348 /nfs/dbraw/zinc/61/63/48/414616348.db2.gz UERNFQIUYWFZBC-OAHLLOKOSA-N 2 0 259.397 2.606 10 0 CFAERP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000040593380 174347375 /nfs/dbraw/zinc/34/73/75/174347375.db2.gz NPIRFBJJVNRUIQ-ZDUSSCGKSA-N 2 0 257.381 2.599 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000040593392 174347812 /nfs/dbraw/zinc/34/78/12/174347812.db2.gz RVZOWRGSBZGWTD-CQSZACIVSA-N 2 0 271.408 2.908 10 0 CFAERP Cc1ccc([C@H](C[NH3+])N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000040693845 174378023 /nfs/dbraw/zinc/37/80/23/174378023.db2.gz SQROOIVYJYTRAH-INIZCTEOSA-N 2 0 291.439 2.538 10 0 CFAERP CCN(Cc1ccc(OC)c(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747478 174392821 /nfs/dbraw/zinc/39/28/21/174392821.db2.gz OXOSEZCGQADWOR-YIONKMFJSA-N 2 0 290.407 2.506 10 0 CFAERP CC[N@H+](CCOc1cccc(C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748216 174393244 /nfs/dbraw/zinc/39/32/44/174393244.db2.gz RXHYAPPYOWEIRH-SJPCQFCGSA-N 2 0 288.435 2.979 10 0 CFAERP Cc1cc(C)cc(OCC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750120 174394799 /nfs/dbraw/zinc/39/47/99/174394799.db2.gz CWUWAACQROOCNF-MQVJKMGUSA-N 2 0 274.408 2.636 10 0 CFAERP CCCO[C@H]1CCC[N@H+](Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000042422681 174722346 /nfs/dbraw/zinc/72/23/46/174722346.db2.gz LQDKYHLZYQVYMY-AWEZNQCLSA-N 2 0 293.386 2.501 10 0 CFAERP CC[NH+](CC)Cc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326621 175008147 /nfs/dbraw/zinc/00/81/47/175008147.db2.gz JSPWJTUQMVQEOM-MRXNPFEDSA-N 2 0 261.413 2.692 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043364757 175025735 /nfs/dbraw/zinc/02/57/35/175025735.db2.gz YATSNJFDUAGKNQ-ZBFHGGJFSA-N 2 0 293.455 2.783 10 0 CFAERP CCCc1ccc([C@H](CN2CC[NH+](CC)CC2)[NH2+]C)cc1 ZINC000043805852 175108075 /nfs/dbraw/zinc/10/80/75/175108075.db2.gz SOXKTQCDEDTJHL-SFHVURJKSA-N 2 0 289.467 2.537 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815330 175112237 /nfs/dbraw/zinc/11/22/37/175112237.db2.gz LPIXRZFDVABVIK-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815362 175112276 /nfs/dbraw/zinc/11/22/76/175112276.db2.gz NHMICOKJDSUMMS-CVEARBPZSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815332 175112396 /nfs/dbraw/zinc/11/23/96/175112396.db2.gz LPIXRZFDVABVIK-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815435 175112419 /nfs/dbraw/zinc/11/24/19/175112419.db2.gz XEKWJFKYVLRXFU-SZMVWBNQSA-N 2 0 295.515 2.959 10 0 CFAERP CCC[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043815398 175112656 /nfs/dbraw/zinc/11/26/56/175112656.db2.gz HXFCTHYTHGBBER-GOSISDBHSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818508 175113077 /nfs/dbraw/zinc/11/30/77/175113077.db2.gz DXIQPJLKPXEMRN-SJLPKXTDSA-N 2 0 289.467 2.753 10 0 CFAERP C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N1CCC[N@H+](C)CC1 ZINC000043818137 175113109 /nfs/dbraw/zinc/11/31/09/175113109.db2.gz IUQCLWATYRSMIW-ROUUACIJSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH2+][C@@H]1CCCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818545 175113811 /nfs/dbraw/zinc/11/38/11/175113811.db2.gz WEGZFIPYUREHOL-IAGOWNOFSA-N 2 0 281.488 2.715 10 0 CFAERP C[NH2+][C@H](C)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819722 175114154 /nfs/dbraw/zinc/11/41/54/175114154.db2.gz AWDXNNFSUBRMHF-OAHLLOKOSA-N 2 0 260.425 2.939 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043897203 175119800 /nfs/dbraw/zinc/11/98/00/175119800.db2.gz RHKJGWKVVLKWEZ-IRXDYDNUSA-N 2 0 283.504 2.959 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897167 175119969 /nfs/dbraw/zinc/11/99/69/175119969.db2.gz OEHNOINPAJJAAM-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897165 175120041 /nfs/dbraw/zinc/12/00/41/175120041.db2.gz OEHNOINPAJJAAM-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccc(C)cc1 ZINC000043897045 175120084 /nfs/dbraw/zinc/12/00/84/175120084.db2.gz UFOKHAYDBBIHJL-SFHVURJKSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccccc1C ZINC000043897464 175120772 /nfs/dbraw/zinc/12/07/72/175120772.db2.gz JXOLLGGBOMSONJ-GOSISDBHSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[NH2+][C@@H](C)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907945 175123249 /nfs/dbraw/zinc/12/32/49/175123249.db2.gz VSHOAJVPGWGXSQ-HOTGVXAUSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907853 175123294 /nfs/dbraw/zinc/12/32/94/175123294.db2.gz CLCWOSJHBRHVJV-QZTJIDSGSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967798 175128961 /nfs/dbraw/zinc/12/89/61/175128961.db2.gz DNEGPZJZSNXPAW-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970588 175132075 /nfs/dbraw/zinc/13/20/75/175132075.db2.gz UGZVAQOPDJEDCA-DLBZAZTESA-N 2 0 281.488 2.571 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000043970725 175132211 /nfs/dbraw/zinc/13/22/11/175132211.db2.gz VLPBUHDBVQKQEK-IAGOWNOFSA-N 2 0 283.504 2.817 10 0 CFAERP CCC[NH2+][C@@H](CC)[C@@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000043978497 175133569 /nfs/dbraw/zinc/13/35/69/175133569.db2.gz IJQLPJBUXFENIR-ZBFHGGJFSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[C@H]([NH2+]C)[C@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000043978122 175133734 /nfs/dbraw/zinc/13/37/34/175133734.db2.gz QRQWVALVGYGAMM-HOTGVXAUSA-N 2 0 269.477 2.569 10 0 CFAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N(CC[NH+](C)C)CC(C)C ZINC000043981966 175133896 /nfs/dbraw/zinc/13/38/96/175133896.db2.gz PXSLMMDCDSKXKA-WMZOPIPTSA-N 2 0 291.483 2.855 10 0 CFAERP CCC[NH+]1CCN([C@H](c2ccc(C)cc2)[C@H]([NH3+])CC)CC1 ZINC000044418386 175173198 /nfs/dbraw/zinc/17/31/98/175173198.db2.gz PQKMBBKJIXXVBP-QZTJIDSGSA-N 2 0 289.467 2.801 10 0 CFAERP COc1ccc2c(c1)CCC[C@@H]2[NH+]1CCC(C[NH3+])CC1 ZINC000044512154 175188433 /nfs/dbraw/zinc/18/84/33/175188433.db2.gz FEGIQCZIJRWYKT-KRWDZBQOSA-N 2 0 274.408 2.743 10 0 CFAERP C[NH+]1CCC(C[NH2+]Cc2nc3ccccc3s2)CC1 ZINC000044518039 175190766 /nfs/dbraw/zinc/19/07/66/175190766.db2.gz GLWJTVKAGAEASD-UHFFFAOYSA-N 2 0 275.421 2.728 10 0 CFAERP CCn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000044528023 175192434 /nfs/dbraw/zinc/19/24/34/175192434.db2.gz VUSIHJGEACDCPX-AWEZNQCLSA-N 2 0 271.408 2.832 10 0 CFAERP C[N@@H+]1CCCC[C@H]1Cn1c(N)[nH+]c2cccc(Cl)c21 ZINC000044563655 175206671 /nfs/dbraw/zinc/20/66/71/175206671.db2.gz OFQLYUKXMLNCFX-JTQLQIEISA-N 2 0 278.787 2.756 10 0 CFAERP CC(C)C[C@H]1CSC(NC[C@@H]2CCCC[N@@H+]2C)=[NH+]1 ZINC000044563824 175207230 /nfs/dbraw/zinc/20/72/30/175207230.db2.gz FBTFJIXHLHOKDE-STQMWFEESA-N 2 0 269.458 2.578 10 0 CFAERP CC(C)C[C@@H]1CSC(NC[C@@H]2CCCC[N@@H+]2C)=[NH+]1 ZINC000044563822 175207284 /nfs/dbraw/zinc/20/72/84/175207284.db2.gz FBTFJIXHLHOKDE-OLZOCXBDSA-N 2 0 269.458 2.578 10 0 CFAERP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)c1C ZINC000045171400 175321214 /nfs/dbraw/zinc/32/12/14/175321214.db2.gz ZOXGKNXTKBCFBQ-WFASDCNBSA-N 2 0 278.444 2.512 10 0 CFAERP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CCCCC1 ZINC000045372462 175364875 /nfs/dbraw/zinc/36/48/75/175364875.db2.gz CRMZXNVJORGOBH-KRWDZBQOSA-N 2 0 297.487 2.663 10 0 CFAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379096 175368379 /nfs/dbraw/zinc/36/83/79/175368379.db2.gz WMRZBJMMZQHCMG-QGZVFWFLSA-N 2 0 297.487 2.663 10 0 CFAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379094 175368660 /nfs/dbraw/zinc/36/86/60/175368660.db2.gz WMRZBJMMZQHCMG-KRWDZBQOSA-N 2 0 297.487 2.663 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@@](C)([NH3+])C(=O)OCC ZINC000045380606 175368966 /nfs/dbraw/zinc/36/89/66/175368966.db2.gz OUWBZYXDHPTBES-MRXNPFEDSA-N 2 0 286.460 2.949 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](CC)[C@@H](C)CC ZINC000045385256 175372013 /nfs/dbraw/zinc/37/20/13/175372013.db2.gz PEPNCEMOBPYUMF-ZFWWWQNUSA-N 2 0 272.433 2.558 10 0 CFAERP COC(=O)[C@](C)([NH3+])CCCC[N@H+](C)C1CCCCCC1 ZINC000045419127 175377369 /nfs/dbraw/zinc/37/73/69/175377369.db2.gz LPIGTNWVZGKROD-MRXNPFEDSA-N 2 0 284.444 2.702 10 0 CFAERP [NH3+]C[C@@H](CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000055167809 175572740 /nfs/dbraw/zinc/57/27/40/175572740.db2.gz GDIZKGKYUIZWHP-CYBMUJFWSA-N 2 0 252.789 2.868 10 0 CFAERP C[C@@H]1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C[NH3+] ZINC000163939478 287604743 /nfs/dbraw/zinc/60/47/43/287604743.db2.gz PZATYLQAHPERHS-OLZOCXBDSA-N 2 0 255.365 2.656 10 0 CFAERP CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000130600339 264360756 /nfs/dbraw/zinc/36/07/56/264360756.db2.gz QAOCKPFJSTZORK-NEADZQPHSA-N 2 0 250.430 2.872 10 0 CFAERP CC(C)(CC[NH3+])[NH2+]Cc1cccc(Br)c1 ZINC000258731745 270274388 /nfs/dbraw/zinc/27/43/88/270274388.db2.gz FDCCZZKFJDCNOC-UHFFFAOYSA-N 2 0 271.202 2.666 10 0 CFAERP Cc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000164012962 278714170 /nfs/dbraw/zinc/71/41/70/278714170.db2.gz CURLJGXSNOBPSX-TZMCWYRMSA-N 2 0 269.392 2.964 10 0 CFAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000400505819 288079752 /nfs/dbraw/zinc/07/97/52/288079752.db2.gz DGPULFCDHXBZSZ-INWMFGNUSA-N 2 0 262.397 2.734 10 0 CFAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccccc1OC ZINC000261586818 288090423 /nfs/dbraw/zinc/09/04/23/288090423.db2.gz JDOJWCLYLUCFHS-SNPRPXQTSA-N 2 0 262.397 2.734 10 0 CFAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261624178 288153622 /nfs/dbraw/zinc/15/36/22/288153622.db2.gz VAJWXVLSZRMPEZ-QCEMKRCNSA-N 2 0 262.372 2.946 10 0 CFAERP Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c2ccccc2[nH+]1 ZINC000228081844 280587860 /nfs/dbraw/zinc/58/78/60/280587860.db2.gz IVNRXCJFBPVMKH-OLZOCXBDSA-N 2 0 255.365 2.717 10 0 CFAERP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000515828748 281298096 /nfs/dbraw/zinc/29/80/96/281298096.db2.gz HXFFFWNQLLHEES-RFQIPJPRSA-N 2 0 256.459 2.638 10 0 CFAERP Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@H](C[NH+](C)C)C1 ZINC000185300041 281308563 /nfs/dbraw/zinc/30/85/63/281308563.db2.gz XYIQHSZCFOOSKP-OAHLLOKOSA-N 2 0 299.418 2.618 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000400649293 290011263 /nfs/dbraw/zinc/01/12/63/290011263.db2.gz PPDBWGQPEPPETD-YFKTTZPYSA-N 2 0 264.335 2.838 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)[C@H]1CC[NH2+]C1 ZINC000400384082 290023956 /nfs/dbraw/zinc/02/39/56/290023956.db2.gz XTEKYFPNARLMGH-COPLHBTASA-N 2 0 280.412 2.950 10 0 CFAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261551929 295237967 /nfs/dbraw/zinc/23/79/67/295237967.db2.gz AOMYZDMSQMGTMT-QWHCGFSZSA-N 2 0 260.372 2.873 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089149291 303406462 /nfs/dbraw/zinc/40/64/62/303406462.db2.gz LKZRJHMUQJMRHK-XKGSQUFQSA-N 2 0 264.335 2.825 10 0 CFAERP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CC(F)(F)F ZINC000575795011 322729418 /nfs/dbraw/zinc/72/94/18/322729418.db2.gz ASAWGCCRWSXBAD-SRVKXCTJSA-N 2 0 266.351 2.943 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000580999308 325081337 /nfs/dbraw/zinc/08/13/37/325081337.db2.gz NRMRPMVGIPGNKQ-WDEREUQCSA-N 2 0 272.845 2.922 10 0 CFAERP CCC[NH2+]CC1(C[NH+]2CCC(CC)CC2)CCOCC1 ZINC000052197892 519909427 /nfs/dbraw/zinc/90/94/27/519909427.db2.gz HYYRLTNKGKYTTD-UHFFFAOYSA-N 2 0 282.472 2.905 10 0 CFAERP CCC[NH2+]CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507524 519912890 /nfs/dbraw/zinc/91/28/90/519912890.db2.gz YPKUDLABHJBTDT-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+]C[C@@H](C)C[N@H+](C)Cc1cccc(OC)c1 ZINC000052372896 519920179 /nfs/dbraw/zinc/92/01/79/519920179.db2.gz MGTHIQOICXPFTI-CQSZACIVSA-N 2 0 264.413 2.763 10 0 CFAERP CCCCOCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000049261918 520782210 /nfs/dbraw/zinc/78/22/10/520782210.db2.gz IYFVJRQJHMUJMU-OAHLLOKOSA-N 2 0 258.450 2.903 10 0 CFAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccccc1CC ZINC000052203908 521657542 /nfs/dbraw/zinc/65/75/42/521657542.db2.gz QGXVJQABMOZWDC-KRWDZBQOSA-N 2 0 277.456 2.522 10 0 CFAERP C[NH2+]Cc1oc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000052373524 522161609 /nfs/dbraw/zinc/16/16/09/522161609.db2.gz YENPHMFHLWGXIP-AAEUAGOBSA-N 2 0 250.386 2.928 10 0 CFAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374530 518761691 /nfs/dbraw/zinc/76/16/91/518761691.db2.gz ASYCGYIFJAEJLV-DLBZAZTESA-N 2 0 288.435 2.938 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N1Cc2ccccc2C1=[NH2+] ZINC000049557997 519335302 /nfs/dbraw/zinc/33/53/02/519335302.db2.gz QREVQLJZGRRZKD-CQSZACIVSA-N 2 0 259.397 2.804 10 0 CFAERP CC(C)N1CC[NH+]([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052480098 519682893 /nfs/dbraw/zinc/68/28/93/519682893.db2.gz YYAWDAVECQIPEG-OAHLLOKOSA-N 2 0 269.477 2.569 10 0 CFAERP CC(C)CN(CC[NH+](C)C)Cc1ccc(C[NH2+]C2CC2)o1 ZINC000052503320 519716807 /nfs/dbraw/zinc/71/68/07/519716807.db2.gz XUCHVKBRXILPKZ-UHFFFAOYSA-N 2 0 293.455 2.551 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181743 519719779 /nfs/dbraw/zinc/71/97/79/519719779.db2.gz NGGHOUSCNCRBCT-HNNXBMFYSA-N 2 0 270.461 2.758 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416600 519723735 /nfs/dbraw/zinc/72/37/35/519723735.db2.gz WQZJDDMFHOTRLO-GJZGRUSLSA-N 2 0 294.464 2.652 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425081 519723764 /nfs/dbraw/zinc/72/37/64/519723764.db2.gz GYZYXZKFIFYQJD-JKSUJKDBSA-N 2 0 268.445 2.798 10 0 CFAERP CC(C)[NH2+]Cc1cccc(C[NH+]2CCSCC2)c1 ZINC000052425522 519727316 /nfs/dbraw/zinc/72/73/16/519727316.db2.gz NTJOSBVWKDQTDZ-UHFFFAOYSA-N 2 0 264.438 2.733 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456390 519746447 /nfs/dbraw/zinc/74/64/47/519746447.db2.gz RDIYPSSFKQKOMS-CABCVRRESA-N 2 0 296.480 2.973 10 0 CFAERP CC(C)C[NH2+]Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000052377431 519747771 /nfs/dbraw/zinc/74/77/71/519747771.db2.gz RVMYQTNFSXTQRY-UHFFFAOYSA-N 2 0 276.424 2.907 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)CN2CCCC2)CC1 ZINC000049150141 519847753 /nfs/dbraw/zinc/84/77/53/519847753.db2.gz CDZGWLUYLVZUST-CVEARBPZSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197553 519852246 /nfs/dbraw/zinc/85/22/46/519852246.db2.gz MLKPILNWUXIUJS-ZACQAIPSSA-N 2 0 283.504 2.673 10 0 CFAERP CCC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052347080 519859242 /nfs/dbraw/zinc/85/92/42/519859242.db2.gz NSUYTSXMOLURFZ-SJORKVTESA-N 2 0 282.472 2.902 10 0 CFAERP CCC[NH2+]CCCCC[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052571143 519912506 /nfs/dbraw/zinc/91/25/06/519912506.db2.gz PWMIJQQSDOKZGU-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+]CCC[C@H](C)OCC[C@@H]1CCC[N@@H+]1C ZINC000052673526 519913542 /nfs/dbraw/zinc/91/35/42/519913542.db2.gz ZLKHIURTUZJFIU-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416596 519924866 /nfs/dbraw/zinc/92/48/66/519924866.db2.gz UGSXMYQAZNSUGG-GJZGRUSLSA-N 2 0 294.464 2.653 10 0 CFAERP CC[NH2+]CC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372971 519927591 /nfs/dbraw/zinc/92/75/91/519927591.db2.gz CQNXCEICVNPLLF-CYBMUJFWSA-N 2 0 250.386 2.515 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374515 519939207 /nfs/dbraw/zinc/93/92/07/519939207.db2.gz JUHYVKXMYCZHGA-SJORKVTESA-N 2 0 274.408 2.549 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C(C)(C)C)CC2)O1 ZINC000052373681 519951291 /nfs/dbraw/zinc/95/12/91/519951291.db2.gz JFHJLEHFFAGBRH-HOTGVXAUSA-N 2 0 282.472 2.902 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482374 519956136 /nfs/dbraw/zinc/95/61/36/519956136.db2.gz CZOKFEYTKMJZOQ-VVLHAWIVSA-N 2 0 280.456 2.656 10 0 CFAERP CCC[NH2+]Cc1occc1COCC[NH+](CC)CC ZINC000052671796 519972129 /nfs/dbraw/zinc/97/21/29/519972129.db2.gz PWUAMSLODDGZLC-UHFFFAOYSA-N 2 0 268.401 2.638 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482377 519979477 /nfs/dbraw/zinc/97/94/77/519979477.db2.gz CZOKFEYTKMJZOQ-HZMVEIRTSA-N 2 0 280.456 2.656 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C2CCC(C)CC2)O1 ZINC000052345452 519979936 /nfs/dbraw/zinc/97/99/36/519979936.db2.gz FFTJRPYKSYDJON-QDIHITRGSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+][C@@H](C)CCC[N@H+](C)CCc1ccncc1 ZINC000045600784 519984313 /nfs/dbraw/zinc/98/43/13/519984313.db2.gz YKAFORMTYLMZLC-HNNXBMFYSA-N 2 0 263.429 2.724 10 0 CFAERP CC[NH2+]Cc1cccc(C[N@H+](C)CCc2ccncc2)c1 ZINC000052483070 520003966 /nfs/dbraw/zinc/00/39/66/520003966.db2.gz QQSDPAWSAKUUTO-UHFFFAOYSA-N 2 0 283.419 2.866 10 0 CFAERP CC[NH2+]Cc1coc(C[N@H+](CCOC)[C@@H](C)CC)c1 ZINC000052547372 520017408 /nfs/dbraw/zinc/01/74/08/520017408.db2.gz IKZRRSPBIYPGFR-ZDUSSCGKSA-N 2 0 268.401 2.636 10 0 CFAERP CC[NH2+]Cc1coc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000052420764 520018999 /nfs/dbraw/zinc/01/89/99/520018999.db2.gz LAVQSGUERXLXOI-STQMWFEESA-N 2 0 250.386 2.867 10 0 CFAERP CC[NH2+][C@H](C)CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000061275434 520171895 /nfs/dbraw/zinc/17/18/95/520171895.db2.gz ANHYUFRPRKPQFL-ZJUUUORDSA-N 2 0 255.431 2.799 10 0 CFAERP CCCC[NH+](CCCC)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052443584 520497325 /nfs/dbraw/zinc/49/73/25/520497325.db2.gz SHBPNTICBRNJNM-UHFFFAOYSA-N 2 0 295.475 2.678 10 0 CFAERP CCO[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]C(C)C)C1 ZINC000052372264 520526786 /nfs/dbraw/zinc/52/67/86/520526786.db2.gz LFPDEJFMINKCDG-GJZGRUSLSA-N 2 0 256.434 2.654 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1CCOCC1 ZINC000052171845 520637921 /nfs/dbraw/zinc/63/79/21/520637921.db2.gz IZRHIOQFPLKXEM-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[C@@H](C)[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181883 520646031 /nfs/dbraw/zinc/64/60/31/520646031.db2.gz DJSJLJZHLIIRFY-OAHLLOKOSA-N 2 0 270.461 2.902 10 0 CFAERP CC[NH+](CC)CCc1ncc(C[NH2+]C(C)(C)C)s1 ZINC000052331399 520714208 /nfs/dbraw/zinc/71/42/08/520714208.db2.gz ANBPSCZNNJBMBR-UHFFFAOYSA-N 2 0 269.458 2.916 10 0 CFAERP CCN(CCC[NH+]1CCCC1)C1(C[NH3+])CCC(C)CC1 ZINC000050088573 521014103 /nfs/dbraw/zinc/01/41/03/521014103.db2.gz QBISMYPXMCYXDH-UHFFFAOYSA-N 2 0 281.488 2.702 10 0 CFAERP CC[N@H+](Cc1cc(C[NH2+]C(C)C)co1)[C@H](C)COC ZINC000052504910 521290331 /nfs/dbraw/zinc/29/03/31/521290331.db2.gz XTVSVFCAUTYWIH-CYBMUJFWSA-N 2 0 268.401 2.634 10 0 CFAERP CCC(C)(C)[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000069435451 521304643 /nfs/dbraw/zinc/30/46/43/521304643.db2.gz OZOFUNWMPPRCDW-UHFFFAOYSA-N 2 0 251.349 2.730 10 0 CFAERP CCC(C)(C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049281640 521315347 /nfs/dbraw/zinc/31/53/47/521315347.db2.gz FQILVGWMQBIWNH-UHFFFAOYSA-N 2 0 297.487 2.665 10 0 CFAERP CCC[N@H+](CCOc1ccccc1C[NH2+]C)C(C)C ZINC000052450359 521668869 /nfs/dbraw/zinc/66/88/69/521668869.db2.gz UNKDDAWGKFQSNX-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP C[NH2+]CC1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181999 521972794 /nfs/dbraw/zinc/97/27/94/521972794.db2.gz HRTNYQROAJHXID-HZPDHXFCSA-N 2 0 280.456 2.515 10 0 CFAERP C[NH2+]CCCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443480 521992008 /nfs/dbraw/zinc/99/20/08/521992008.db2.gz LAJXPRGFYOMZNN-UHFFFAOYSA-N 2 0 295.858 2.852 10 0 CFAERP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484563 522104834 /nfs/dbraw/zinc/10/48/34/522104834.db2.gz ILMMSQKYRKXGOA-LBPRGKRZSA-N 2 0 258.365 2.994 10 0 CFAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCc2ccccc2C1 ZINC000052419180 522136980 /nfs/dbraw/zinc/13/69/80/522136980.db2.gz WJMWUIOLBIXXDD-UHFFFAOYSA-N 2 0 266.388 2.964 10 0 CFAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000234740491 522289031 /nfs/dbraw/zinc/28/90/31/522289031.db2.gz CIURXFMMFNGOER-LSDHHAIUSA-N 2 0 264.413 2.708 10 0 CFAERP COC1CC[NH+](CCCCC[NH2+]CC(C)C)CC1 ZINC000052455379 522704428 /nfs/dbraw/zinc/70/44/28/522704428.db2.gz XFGUBXCAYOSKHP-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP C[N@H+](C[C@H]1CCCCO1)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016561 523109809 /nfs/dbraw/zinc/10/98/09/523109809.db2.gz HGKSCLSKROOFGJ-CVEARBPZSA-N 2 0 262.397 2.577 10 0 CFAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCCC[NH2+]CC(C)C ZINC000052570770 523344534 /nfs/dbraw/zinc/34/45/34/523344534.db2.gz CLXZZSVIXMYVTR-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CCn1cc[nH+]c1N(CCC[NH3+])c1cccc(C)c1 ZINC000050607874 523546480 /nfs/dbraw/zinc/54/64/80/523546480.db2.gz KMKOCXTVECDHMG-UHFFFAOYSA-N 2 0 258.369 2.698 10 0 CFAERP CCn1cc[nH+]c1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000050614145 523550029 /nfs/dbraw/zinc/55/00/29/523550029.db2.gz BSVGVUJPHZABMV-HIFRSBDPSA-N 2 0 264.417 2.825 10 0 CFAERP CC[C@H](C)C[N@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052454105 523870316 /nfs/dbraw/zinc/87/03/16/523870316.db2.gz CBQHYWPRNGAHNJ-ZDUSSCGKSA-N 2 0 267.417 2.898 10 0 CFAERP CC[C@H](C)[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181193 523914663 /nfs/dbraw/zinc/91/46/63/523914663.db2.gz JGUGXHJKHIHXOG-AWEZNQCLSA-N 2 0 270.461 2.902 10 0 CFAERP COc1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C(C)C)C2)cc1 ZINC000053011075 523950992 /nfs/dbraw/zinc/95/09/92/523950992.db2.gz BVHMACQMJWUDGT-INIZCTEOSA-N 2 0 276.424 2.558 10 0 CFAERP COc1ccc(C[N@H+](C)C[C@H](C)C[NH2+]C(C)C)cc1 ZINC000052541577 524004546 /nfs/dbraw/zinc/00/45/46/524004546.db2.gz OETSLQVGMACXKV-CQSZACIVSA-N 2 0 264.413 2.761 10 0 CFAERP C[C@H]1CCC[N@@H+]1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180451 524120240 /nfs/dbraw/zinc/12/02/40/524120240.db2.gz GRNACYBJYVQEPP-AWEZNQCLSA-N 2 0 268.445 2.656 10 0 CFAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000049557298 524163106 /nfs/dbraw/zinc/16/31/06/524163106.db2.gz CZTVSIGLKSHTMH-RDTXWAMCSA-N 2 0 286.419 2.803 10 0 CFAERP C[C@H](CC[NH+](C)C)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049559108 524171628 /nfs/dbraw/zinc/17/16/28/524171628.db2.gz OWXAAZULHNFNQF-SECBINFHSA-N 2 0 266.776 2.785 10 0 CFAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(C)(C)CC1 ZINC000061818771 524278800 /nfs/dbraw/zinc/27/88/00/524278800.db2.gz FGGNTFBMACHFCT-ZDUSSCGKSA-N 2 0 289.423 2.594 10 0 CFAERP Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602223 524485113 /nfs/dbraw/zinc/48/51/13/524485113.db2.gz QQDXHUWAIXOHIA-YHWZYXNKSA-N 2 0 250.411 2.901 10 0 CFAERP C[C@@H](C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482240 524733254 /nfs/dbraw/zinc/73/32/54/524733254.db2.gz BUTQTPYLARMFDV-SOUVJXGZSA-N 2 0 250.430 2.887 10 0 CFAERP C[C@H](Cn1c(N)[nH+]c2ccc(F)cc21)[NH+]1CCCCC1 ZINC000052123162 524770425 /nfs/dbraw/zinc/77/04/25/524770425.db2.gz VDXKDKOEUBHLBX-LLVKDONJSA-N 2 0 276.359 2.632 10 0 CFAERP C[C@H]1C[C@H](C[NH+]2CCC(c3nccs3)CC2)CC[NH2+]1 ZINC000335179754 524898731 /nfs/dbraw/zinc/89/87/31/524898731.db2.gz XEVFMVNGRHGOOE-QWHCGFSZSA-N 2 0 279.453 2.711 10 0 CFAERP COc1cccc(Cl)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000228761007 526096902 /nfs/dbraw/zinc/09/69/02/526096902.db2.gz VDCNTOUOCOWZPU-LLVKDONJSA-N 2 0 282.815 2.908 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2[C@H](C[NH+](C)C)C(C)C ZINC000049221180 526220412 /nfs/dbraw/zinc/22/04/12/526220412.db2.gz XMKSHKRQZRWCAX-CQSZACIVSA-N 2 0 260.385 2.686 10 0 CFAERP c1cc(C[NH2+]C2CC2)cc(C[N@@H+]2CCCSCC2)c1 ZINC000052371023 526426914 /nfs/dbraw/zinc/42/69/14/526426914.db2.gz CNFYDHUTPCGSQZ-UHFFFAOYSA-N 2 0 276.449 2.878 10 0 CFAERP c1ccc([C@@H]2C[C@@H]2[NH2+]CCCC2CC[NH2+]CC2)cc1 ZINC000050953971 526494692 /nfs/dbraw/zinc/49/46/92/526494692.db2.gz UCVSMMPMZVORRC-IRXDYDNUSA-N 2 0 258.409 2.912 10 0 CFAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334997353 526515116 /nfs/dbraw/zinc/51/51/16/526515116.db2.gz YSMAZOLVIJWEAN-QGZVFWFLSA-N 2 0 267.376 2.815 10 0 CFAERP Cc1oc(C[NH+]2CCCC2)cc1C[NH2+]CC(C)C ZINC000052377380 526770794 /nfs/dbraw/zinc/77/07/94/526770794.db2.gz YWVWLCIIHLETLF-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484665 526775298 /nfs/dbraw/zinc/77/52/98/526775298.db2.gz HVKYIMHLLGAGPF-LBPRGKRZSA-N 2 0 250.386 2.928 10 0 CFAERP CSC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000235117408 618103242 /nfs/dbraw/zinc/10/32/42/618103242.db2.gz ZZERDYNVRSLZAX-ZDUSSCGKSA-N 2 0 256.459 2.784 10 0 CFAERP CCC1(CC)OC2(CC[NH+](C)CC2)[NH2+]CC1(C)C ZINC000757145166 617815416 /nfs/dbraw/zinc/81/54/16/617815416.db2.gz OJJRRTSUFFAAID-UHFFFAOYSA-N 2 0 254.418 2.613 10 0 CFAERP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261578438 618107258 /nfs/dbraw/zinc/10/72/58/618107258.db2.gz OZDCXKTYZXGMPI-GHMZBOCLSA-N 2 0 264.335 2.649 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]12 ZINC000261622365 619179482 /nfs/dbraw/zinc/17/94/82/619179482.db2.gz UUTKRDGQVKBBPZ-MGPQQGTHSA-N 2 0 266.335 2.793 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089149399 623588806 /nfs/dbraw/zinc/58/88/06/623588806.db2.gz VSNRIHKVDALSQM-BJJXKVORSA-N 2 0 262.397 2.863 10 0 CFAERP CC(C)c1nc(CC[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000082434484 178011360 /nfs/dbraw/zinc/01/13/60/178011360.db2.gz ODWLFRUXDJJKHZ-UHFFFAOYSA-N 2 0 267.442 2.623 10 0 CFAERP C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccc(Cl)cc21 ZINC000082509371 178075983 /nfs/dbraw/zinc/07/59/83/178075983.db2.gz ZHZXFZBHFKCNST-CYBMUJFWSA-N 2 0 280.799 2.847 10 0 CFAERP Cc1cccc2c(N[C@H](C)C[NH+]3CCN(C)CC3)cc[nH+]c12 ZINC000125083172 187168677 /nfs/dbraw/zinc/16/86/77/187168677.db2.gz JZLHHLKNYWBFNK-OAHLLOKOSA-N 2 0 298.434 2.591 10 0 CFAERP CC[C@@H]1C[NH2+]C[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096950603 185139972 /nfs/dbraw/zinc/13/99/72/185139972.db2.gz RVKLADLAEWNDNI-SJORKVTESA-N 2 0 258.409 2.898 10 0 CFAERP CC(C)[C@H]1C[NH2+]C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096950612 185140130 /nfs/dbraw/zinc/14/01/30/185140130.db2.gz QWGFDMSULJILOD-SJORKVTESA-N 2 0 258.409 2.754 10 0 CFAERP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334185245 282268846 /nfs/dbraw/zinc/26/88/46/282268846.db2.gz DWAJOFSBZPKAOW-CVEARBPZSA-N 2 0 280.456 2.798 10 0 CFAERP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1F ZINC000400354896 232676409 /nfs/dbraw/zinc/67/64/09/232676409.db2.gz LSMZSNPVIJQTRS-SGMGOOAPSA-N 2 0 250.361 2.783 10 0 CFAERP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818723 179347554 /nfs/dbraw/zinc/34/75/54/179347554.db2.gz NVKGHPNIJMKZNI-GOEBONIOSA-N 2 0 276.424 2.700 10 0 CFAERP C[C@@H](Cc1c(F)cccc1F)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818697 179347665 /nfs/dbraw/zinc/34/76/65/179347665.db2.gz ZERAVGKIJQXAQZ-STQMWFEESA-N 2 0 282.378 2.970 10 0 CFAERP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)s1 ZINC000086818861 179348104 /nfs/dbraw/zinc/34/81/04/179348104.db2.gz ZPWQWTUYAFVUBQ-YPMHNXCESA-N 2 0 267.442 2.895 10 0 CFAERP C[N@@H+]1CCC[C@](C[NH3+])(N(Cc2cccs2)C2CC2)CC1 ZINC000086819427 179348237 /nfs/dbraw/zinc/34/82/37/179348237.db2.gz SXUNCWYTHDSPIU-INIZCTEOSA-N 2 0 293.480 2.526 10 0 CFAERP Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818856 179348725 /nfs/dbraw/zinc/34/87/25/179348725.db2.gz PVHSENGPMZWTFL-HOTGVXAUSA-N 2 0 276.424 2.836 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000086817438 179345036 /nfs/dbraw/zinc/34/50/36/179345036.db2.gz BCJRZHHZWJHMFI-QGZVFWFLSA-N 2 0 287.451 2.513 10 0 CFAERP CC(C)CN(C(C)C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086848107 179356522 /nfs/dbraw/zinc/35/65/22/179356522.db2.gz IQNFWVDAHFYRIF-KRWDZBQOSA-N 2 0 283.504 2.945 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000086847615 179356678 /nfs/dbraw/zinc/35/66/78/179356678.db2.gz WGHWNZCVECGKMY-KRWDZBQOSA-N 2 0 293.455 2.613 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000086848439 179356972 /nfs/dbraw/zinc/35/69/72/179356972.db2.gz WHVBRQDGMRDMSQ-GOSISDBHSA-N 2 0 287.451 2.596 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCc2cscn2)CC1 ZINC000086845135 179355275 /nfs/dbraw/zinc/35/52/75/179355275.db2.gz JMCJSKNFJKYAFO-ZDUSSCGKSA-N 2 0 267.442 2.540 10 0 CFAERP CCOC(=O)C[C@@]1([NH+](CC)CC)CCC[N@@H+](C(C)C)CC1 ZINC000086868542 179360760 /nfs/dbraw/zinc/36/07/60/179360760.db2.gz VIXUTIJMTLAAFX-QGZVFWFLSA-N 2 0 298.471 2.915 10 0 CFAERP CC[C@@H](C[NH3+])CC[NH2+]Cc1sccc1Br ZINC000087999925 179534527 /nfs/dbraw/zinc/53/45/27/179534527.db2.gz GTJFLBITMLDAIR-SECBINFHSA-N 2 0 291.258 2.975 10 0 CFAERP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839432 355601491 /nfs/dbraw/zinc/60/14/91/355601491.db2.gz GGTBHWBVUCSIOJ-SWLSCSKDSA-N 2 0 269.392 2.570 10 0 CFAERP CC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[C@H]1[NH3+] ZINC000251898842 540554207 /nfs/dbraw/zinc/55/42/07/540554207.db2.gz WQLZUOZHIARYMF-GXTWGEPZSA-N 2 0 255.365 2.798 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034234264 372506442 /nfs/dbraw/zinc/50/64/42/372506442.db2.gz KAXQIIGCHQPXCF-MSOLQXFVSA-N 2 0 266.388 2.861 10 0 CFAERP CC1CCC(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000089576357 374924766 /nfs/dbraw/zinc/92/47/66/374924766.db2.gz VGKOJESADWIYNR-NRXISQOPSA-N 2 0 250.430 2.887 10 0 CFAERP C[C@@H]([NH3+])[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000104417452 375783135 /nfs/dbraw/zinc/78/31/35/375783135.db2.gz XTYNSFHEMGWCHD-OLZOCXBDSA-N 2 0 255.365 2.798 10 0 CFAERP [NH3+]C1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000335655437 379671004 /nfs/dbraw/zinc/67/10/04/379671004.db2.gz CRBCPVXDJXLIFP-UHFFFAOYSA-N 2 0 289.242 2.870 10 0 CFAERP CCO[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)C12CCCC2 ZINC000178974813 380498238 /nfs/dbraw/zinc/49/82/38/380498238.db2.gz UYJMARFUNRXXPG-HOTGVXAUSA-N 2 0 280.456 2.656 10 0 CFAERP CCc1csc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979836 380498258 /nfs/dbraw/zinc/49/82/58/380498258.db2.gz ULCIKTNJGSRARI-AWEZNQCLSA-N 2 0 293.480 2.885 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400447691 380862477 /nfs/dbraw/zinc/86/24/77/380862477.db2.gz PZDASDNAVAJOTN-NTZNESFSSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000400428155 380860268 /nfs/dbraw/zinc/86/02/68/380860268.db2.gz ZHBANLJEOHZUDX-NEPJUHHUSA-N 2 0 252.427 2.613 10 0 CFAERP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)ccc1F ZINC000188407076 382408128 /nfs/dbraw/zinc/40/81/28/382408128.db2.gz AYBNOGYRRMWTCY-OAHLLOKOSA-N 2 0 273.355 2.995 10 0 CFAERP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CC2CCC1CC2 ZINC000382070313 382527925 /nfs/dbraw/zinc/52/79/25/382527925.db2.gz GZVHYEDOEUCFIQ-PVNJOJHASA-N 2 0 250.430 2.790 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCOc3ccc(Cl)cc3)C[C@H]12 ZINC000380768428 382516306 /nfs/dbraw/zinc/51/63/06/382516306.db2.gz RDSDYFNRWQGTFM-VBNZEHGJSA-N 2 0 294.826 2.778 10 0 CFAERP CC(C)CC[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328605798 382552868 /nfs/dbraw/zinc/55/28/68/382552868.db2.gz PEKFECUAQKDAKC-MRXNPFEDSA-N 2 0 261.413 2.539 10 0 CFAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(Br)cc1Cl ZINC000575439384 382771499 /nfs/dbraw/zinc/77/14/99/382771499.db2.gz HZVMIMLOUBOXET-SNVBAGLBSA-N 2 0 277.593 2.841 10 0 CFAERP CC(C)c1nc(CN(C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000231461013 382864965 /nfs/dbraw/zinc/86/49/65/382864965.db2.gz VNBCAZWLPVNBGP-ZDUSSCGKSA-N 2 0 267.442 2.840 10 0 CFAERP C[C@@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000520564851 383262791 /nfs/dbraw/zinc/26/27/91/383262791.db2.gz DPYYZIFDWKBJOB-HUUCEWRRSA-N 2 0 268.445 2.704 10 0 CFAERP Cc1scc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000635015493 383471845 /nfs/dbraw/zinc/47/18/45/383471845.db2.gz BKWRNGWDEJCMHA-YPMHNXCESA-N 2 0 252.427 2.843 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000261726110 383548466 /nfs/dbraw/zinc/54/84/66/383548466.db2.gz KURILYZDTFCRBI-MRVWCRGKSA-N 2 0 284.325 2.875 10 0 CFAERP CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261572926 383516427 /nfs/dbraw/zinc/51/64/27/383516427.db2.gz MBPQEHJUSWTSJC-AEGPPILISA-N 2 0 262.422 2.578 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]12 ZINC000261587133 383521323 /nfs/dbraw/zinc/52/13/23/383521323.db2.gz JGQBVUVZNKZMQW-BPLDGKMQSA-N 2 0 256.349 2.602 10 0 CFAERP CCCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261876407 383574614 /nfs/dbraw/zinc/57/46/14/383574614.db2.gz ZTQMTLAULHEPTP-BHYGNILZSA-N 2 0 274.408 2.645 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000261780992 383559690 /nfs/dbraw/zinc/55/96/90/383559690.db2.gz PNQMIGKIMLAJCP-ZKYQVNSYSA-N 2 0 284.325 2.875 10 0 CFAERP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261780844 383559997 /nfs/dbraw/zinc/55/99/97/383559997.db2.gz PLGKNVGOAVMOOB-UAGQMJEPSA-N 2 0 274.408 2.643 10 0 CFAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000532511495 384039422 /nfs/dbraw/zinc/03/94/22/384039422.db2.gz TUAODYNKQOOPCZ-OXGONZEZSA-N 2 0 252.446 2.987 10 0 CFAERP C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000643454433 384635501 /nfs/dbraw/zinc/63/55/01/384635501.db2.gz RMSGXNGKHOJTBW-KGLIPLIRSA-N 2 0 271.408 2.688 10 0 CFAERP CCN1CCC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247043703 285231728 /nfs/dbraw/zinc/23/17/28/285231728.db2.gz MWTHRNZOSWIIEJ-ZBFHGGJFSA-N 2 0 274.408 2.974 10 0 CFAERP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000422807681 533532482 /nfs/dbraw/zinc/53/24/82/533532482.db2.gz PBEYVLDLRRLGDD-NXEZZACHSA-N 2 0 283.213 2.708 10 0 CFAERP CC[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381645269 393565713 /nfs/dbraw/zinc/56/57/13/393565713.db2.gz XQVDCAQKSKXTHS-JHJVBQTASA-N 2 0 260.372 2.871 10 0 CFAERP C[C@H](CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263421 393686359 /nfs/dbraw/zinc/68/63/59/393686359.db2.gz ZEUFEDKGNARNQM-SJLPKXTDSA-N 2 0 290.451 2.617 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000245594663 393818803 /nfs/dbraw/zinc/81/88/03/393818803.db2.gz ICVBDFXYPXYUII-RYRKJORJSA-N 2 0 296.499 2.837 10 0 CFAERP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763703 393887971 /nfs/dbraw/zinc/88/79/71/393887971.db2.gz SSGKBJSMEJFLRG-CQSZACIVSA-N 2 0 269.392 2.666 10 0 CFAERP C[C@@H]1C[NH+](CCCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000157903110 394351740 /nfs/dbraw/zinc/35/17/40/394351740.db2.gz PTRQKFXQHJGDJE-OKILXGFUSA-N 2 0 288.526 2.641 10 0 CFAERP C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000684963134 542879656 /nfs/dbraw/zinc/87/96/56/542879656.db2.gz NLQVIEDFXIPRGE-MCIONIFRSA-N 2 0 268.445 2.510 10 0 CFAERP Cc1ccccc1[C@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000657290154 413406032 /nfs/dbraw/zinc/40/60/32/413406032.db2.gz KWRVTDWBKFYVAU-ZDUSSCGKSA-N 2 0 255.365 2.989 10 0 CFAERP C[C@@H]([NH3+])Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000006852881 170249032 /nfs/dbraw/zinc/24/90/32/170249032.db2.gz RCBDVIPAZNXVSM-OAHLLOKOSA-N 2 0 276.424 2.831 10 0 CFAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000020128340 171014688 /nfs/dbraw/zinc/01/46/88/171014688.db2.gz QFSGRQMINJWKSV-SJORKVTESA-N 2 0 295.515 2.818 10 0 CFAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1cccc(O)c1 ZINC000020128646 171015693 /nfs/dbraw/zinc/01/56/93/171015693.db2.gz LQGJRNUJUCXNCU-UHFFFAOYSA-N 2 0 270.376 2.744 10 0 CFAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020179620 171044072 /nfs/dbraw/zinc/04/40/72/171044072.db2.gz CMGREOPSMIWNDP-MRXNPFEDSA-N 2 0 295.858 2.613 10 0 CFAERP C[N@H+](Cc1cccc(F)c1)Cc1ccccc1C[NH3+] ZINC000020266390 171122426 /nfs/dbraw/zinc/12/24/26/171122426.db2.gz DSJIWFIFQVFUSR-UHFFFAOYSA-N 2 0 258.340 2.916 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000020365692 171164053 /nfs/dbraw/zinc/16/40/53/171164053.db2.gz QBLMMGYJBITTLZ-HUUCEWRRSA-N 2 0 299.503 2.780 10 0 CFAERP CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365681 171164261 /nfs/dbraw/zinc/16/42/61/171164261.db2.gz WARDVKJRGQMQQW-HUUCEWRRSA-N 2 0 299.503 2.780 10 0 CFAERP Nc1c[nH+]ccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020383071 171173437 /nfs/dbraw/zinc/17/34/37/171173437.db2.gz OVCCYIQIKOEOSX-UHFFFAOYSA-N 2 0 282.391 2.740 10 0 CFAERP C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022156271 171362543 /nfs/dbraw/zinc/36/25/43/171362543.db2.gz IFUYEDKOGGSGOP-AWEZNQCLSA-N 2 0 289.423 2.738 10 0 CFAERP CC[C@@H]([NH3+])c1ccc(OCC[NH+](CC)CC)cc1 ZINC000022223734 171379744 /nfs/dbraw/zinc/37/97/44/171379744.db2.gz AVVSJQNNMDFSSF-OAHLLOKOSA-N 2 0 250.386 2.817 10 0 CFAERP C[N@@H+](Cc1ccsc1)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731473 172381615 /nfs/dbraw/zinc/38/16/15/172381615.db2.gz FERTVSHUIMCVQF-OAHLLOKOSA-N 2 0 260.406 2.922 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037210006 173031510 /nfs/dbraw/zinc/03/15/10/173031510.db2.gz KEXWCUKQUWBRQY-JSGCOSHPSA-N 2 0 250.361 2.646 10 0 CFAERP CC[N@H+](Cc1ccc(SC)cc1)C1CC[NH2+]CC1 ZINC000037538339 173258370 /nfs/dbraw/zinc/25/83/70/173258370.db2.gz ZWNDPELOMLVQID-UHFFFAOYSA-N 2 0 264.438 2.982 10 0 CFAERP CC[C@@H]([NH3+])Cc1cccc(OCC[NH+](CC)CC)c1 ZINC000037726867 173645566 /nfs/dbraw/zinc/64/55/66/173645566.db2.gz HFLLEBKWERSBFE-OAHLLOKOSA-N 2 0 264.413 2.687 10 0 CFAERP Cc1cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000656609657 414616104 /nfs/dbraw/zinc/61/61/04/414616104.db2.gz WAVXPYIEYNNMIH-HNNXBMFYSA-N 2 0 259.397 2.606 10 0 CFAERP CC(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000038041007 174041250 /nfs/dbraw/zinc/04/12/50/174041250.db2.gz MQEOTPIVQCPDFU-HNNXBMFYSA-N 2 0 250.361 2.864 10 0 CFAERP CCCCOCC[NH2+][C@H](C)C1CC[NH+](CCC)CC1 ZINC000040506742 174302279 /nfs/dbraw/zinc/30/22/79/174302279.db2.gz KFMYQQHQAHRGSL-OAHLLOKOSA-N 2 0 270.461 2.903 10 0 CFAERP [NH3+]C[C@@H]1CCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693655 174377377 /nfs/dbraw/zinc/37/73/77/174377377.db2.gz URIYLZHXMIWLOY-FUHWJXTLSA-N 2 0 293.499 2.844 10 0 CFAERP C[C@H]1CCCC[C@]1(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693819 174377697 /nfs/dbraw/zinc/37/76/97/174377697.db2.gz OSNGSJYEMKOJJW-FUHWJXTLSA-N 2 0 293.499 2.844 10 0 CFAERP CCC(CC)[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693769 174377954 /nfs/dbraw/zinc/37/79/54/174377954.db2.gz JNRXZTMRMTURMA-QGZVFWFLSA-N 2 0 281.488 2.700 10 0 CFAERP C[C@@H](c1ccc(F)c(F)c1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749328 174393614 /nfs/dbraw/zinc/39/36/14/174393614.db2.gz REXPALWEXBERIA-SMHCIBLRSA-N 2 0 266.335 2.980 10 0 CFAERP C[C@H]([NH3+])[C@@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043335499 175011292 /nfs/dbraw/zinc/01/12/92/175011292.db2.gz FVBRCOWVKDNKIC-YOEHRIQHSA-N 2 0 291.439 2.618 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C1CC[NH+](CC)CC1 ZINC000043365325 175026237 /nfs/dbraw/zinc/02/62/37/175026237.db2.gz IJOJOVGQGMLNGG-NVXWUHKLSA-N 2 0 293.455 2.783 10 0 CFAERP Cc1cc(C)cc([C@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)c1 ZINC000043394456 175034790 /nfs/dbraw/zinc/03/47/90/175034790.db2.gz XJTVJIBZSJQYTN-SFHVURJKSA-N 2 0 289.467 2.577 10 0 CFAERP CC1(C)C[C@H]([NH3+])c2ccc(OCC[NH+]3CCCC3)cc2O1 ZINC000043460186 175051332 /nfs/dbraw/zinc/05/13/32/175051332.db2.gz PCRHQUWEISYNOM-HNNXBMFYSA-N 2 0 290.407 2.722 10 0 CFAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])C[C@H](C)c2ccccc2)CC1 ZINC000043534820 175062634 /nfs/dbraw/zinc/06/26/34/175062634.db2.gz BLDSKRYGWFILER-FUHWJXTLSA-N 2 0 289.467 2.534 10 0 CFAERP CCC[NH+]1CCN([C@@H]2CCCCCC[C@H]2[NH2+]CC)CC1 ZINC000043805503 175107380 /nfs/dbraw/zinc/10/73/80/175107380.db2.gz SBNUOHQXOZFCEN-IAGOWNOFSA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N1CC[NH+](CCC)CC1 ZINC000043805659 175107625 /nfs/dbraw/zinc/10/76/25/175107625.db2.gz FGQISNUTRYRHEB-IRXDYDNUSA-N 2 0 283.504 2.961 10 0 CFAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2cc(C)ccc2C)CC1 ZINC000043805348 175107733 /nfs/dbraw/zinc/10/77/33/175107733.db2.gz JMLYQWMKCRXSAW-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH+]1CCN([C@H]2C[C@@H](CC)CC[C@@H]2[NH2+]CC)CC1 ZINC000043805515 175107855 /nfs/dbraw/zinc/10/78/55/175107855.db2.gz QHLGYRNPSIUEIY-ULQDDVLXSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH+]1CCN(C[C@H]([NH2+]CC)c2ccccc2C)CC1 ZINC000043805537 175107894 /nfs/dbraw/zinc/10/78/94/175107894.db2.gz UEYWQPMUSOISLQ-SFHVURJKSA-N 2 0 289.467 2.673 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1cc(C)ccc1C ZINC000043806057 175108165 /nfs/dbraw/zinc/10/81/65/175108165.db2.gz MPBYRJHUHWTODV-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806030 175108678 /nfs/dbraw/zinc/10/86/78/175108678.db2.gz OFEPYTKDKVLDHZ-IKGGRYGDSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000043811017 175110020 /nfs/dbraw/zinc/11/00/20/175110020.db2.gz KGMKJEPXXDJGGR-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000043811053 175110279 /nfs/dbraw/zinc/11/02/79/175110279.db2.gz ITRISBVSYVQCQC-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[NH+](CCC)CCC)OCCO2 ZINC000043814868 175111877 /nfs/dbraw/zinc/11/18/77/175111877.db2.gz JDTDPGVZOGNKFJ-JKSUJKDBSA-N 2 0 298.471 2.772 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[NH+](CCC)CCC)OCCO2 ZINC000043814866 175111982 /nfs/dbraw/zinc/11/19/82/175111982.db2.gz JDTDPGVZOGNKFJ-HOTGVXAUSA-N 2 0 298.471 2.772 10 0 CFAERP CCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+](C)C)c1 ZINC000043816329 175112651 /nfs/dbraw/zinc/11/26/51/175112651.db2.gz DITXPUQCOATCCV-GFCCVEGCSA-N 2 0 250.386 2.817 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818459 175113263 /nfs/dbraw/zinc/11/32/63/175113263.db2.gz UHRXGCZORFLPFL-MSOLQXFVSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890179 175118359 /nfs/dbraw/zinc/11/83/59/175118359.db2.gz IICBOGBISMEWTA-CVEARBPZSA-N 2 0 268.445 2.798 10 0 CFAERP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043896959 175119818 /nfs/dbraw/zinc/11/98/18/175119818.db2.gz FYHGPHMLAJVNJG-AEFFLSMTSA-N 2 0 289.467 2.670 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043897109 175119845 /nfs/dbraw/zinc/11/98/45/175119845.db2.gz MCBCPKOYNKXNPN-HOTGVXAUSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897523 175120471 /nfs/dbraw/zinc/12/04/71/175120471.db2.gz ZTSKSTUEOJCDSE-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H]1CCOC[C@@H]1[NH+](CC(C)C)CC(C)C ZINC000043909736 175123146 /nfs/dbraw/zinc/12/31/46/175123146.db2.gz MANAINIJIMGZAR-CVEARBPZSA-N 2 0 270.461 2.758 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965582 175126958 /nfs/dbraw/zinc/12/69/58/175126958.db2.gz WHBVBYXMFWVCMT-HZPDHXFCSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967985 175128997 /nfs/dbraw/zinc/12/89/97/175128997.db2.gz QSNFJKFPLFVQQA-SZMVWBNQSA-N 2 0 293.499 2.571 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967995 175129284 /nfs/dbraw/zinc/12/92/84/175129284.db2.gz YLIPMSVPPWMKJB-ROUUACIJSA-N 2 0 293.499 2.715 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970761 175131848 /nfs/dbraw/zinc/13/18/48/175131848.db2.gz WROUVLHGFWRPGH-SZMVWBNQSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970765 175131950 /nfs/dbraw/zinc/13/19/50/175131950.db2.gz WROUVLHGFWRPGH-NJAFHUGGSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970777 175131953 /nfs/dbraw/zinc/13/19/53/175131953.db2.gz HYDQDFWHAKGTNM-ZWKOTPCHSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970771 175132003 /nfs/dbraw/zinc/13/20/03/175132003.db2.gz HYDQDFWHAKGTNM-MSOLQXFVSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970759 175132245 /nfs/dbraw/zinc/13/22/45/175132245.db2.gz WROUVLHGFWRPGH-JQHSSLGASA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@H]1CCOC[C@H]1N(C)[C@@H]1CCCC[C@@H]1C ZINC000043976842 175133102 /nfs/dbraw/zinc/13/31/02/175133102.db2.gz AFLMEYJXFZQQJT-CAOSSQGBSA-N 2 0 268.445 2.654 10 0 CFAERP CC[NH+]1CCC(N(C)C[C@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000043977984 175133216 /nfs/dbraw/zinc/13/32/16/175133216.db2.gz VLNJAJCPDZMCAJ-SFHVURJKSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000043978338 175133489 /nfs/dbraw/zinc/13/34/89/175133489.db2.gz GWIFNDZWANLWQK-DLBZAZTESA-N 2 0 283.504 2.959 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978255 175133504 /nfs/dbraw/zinc/13/35/04/175133504.db2.gz RPBXUBOJUZQINX-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977583 175133542 /nfs/dbraw/zinc/13/35/42/175133542.db2.gz UIZMBWFPYRQVCI-OHFALNGGSA-N 2 0 282.472 2.900 10 0 CFAERP CC[NH2+][C@H](CC)[C@H](C)[N@H+](CCOC)C(CC)CC ZINC000043977116 175133618 /nfs/dbraw/zinc/13/36/18/175133618.db2.gz ILUVESSRXWOZOI-DZGCQCFKSA-N 2 0 258.450 2.900 10 0 CFAERP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](CCOC)C(CC)CC ZINC000043977112 175133622 /nfs/dbraw/zinc/13/36/22/175133622.db2.gz AQKCBRQFRMSFGI-GJZGRUSLSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977485 175133655 /nfs/dbraw/zinc/13/36/55/175133655.db2.gz RUGBGVFORSTBTC-IMJJTQAJSA-N 2 0 270.461 2.900 10 0 CFAERP CCC[C@H]([NH2+]C)[C@H](CC)N(CC[NH+](C)C)CC(C)C ZINC000043982085 175134004 /nfs/dbraw/zinc/13/40/04/175134004.db2.gz RIKQQQGEPPUMAK-HOTGVXAUSA-N 2 0 271.493 2.673 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982186 175134030 /nfs/dbraw/zinc/13/40/30/175134030.db2.gz NZZXZFPQGILEQN-IRXDYDNUSA-N 2 0 283.504 2.817 10 0 CFAERP C[NH+](C)CC1CC[NH+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2O)CC1 ZINC000044169925 175148452 /nfs/dbraw/zinc/14/84/52/175148452.db2.gz AEYFJPCHIZZVEG-BBWFWOEESA-N 2 0 296.499 2.836 10 0 CFAERP CCC[NH+]1CCN([C@H](c2ccccc2Cl)[C@H](C)[NH3+])CC1 ZINC000044418484 175173350 /nfs/dbraw/zinc/17/33/50/175173350.db2.gz WMMYTLQYSYTBRC-BBRMVZONSA-N 2 0 295.858 2.756 10 0 CFAERP CCC[NH+]1CCN([C@@H](C)[C@@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000044471606 175178173 /nfs/dbraw/zinc/17/81/73/175178173.db2.gz YPBRVYLXTQZGNS-FUHWJXTLSA-N 2 0 289.467 2.672 10 0 CFAERP CCc1cccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c[nH]c21 ZINC000044528019 175192427 /nfs/dbraw/zinc/19/24/27/175192427.db2.gz GQWOIMMXXXBJRS-ZDUSSCGKSA-N 2 0 271.408 2.901 10 0 CFAERP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044528021 175192839 /nfs/dbraw/zinc/19/28/39/175192839.db2.gz HUEYOSOGMYOIEE-ZDUSSCGKSA-N 2 0 257.381 2.647 10 0 CFAERP CC[NH+](CC)CCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745051 175241643 /nfs/dbraw/zinc/24/16/43/175241643.db2.gz ZJPGNPSITRKLAN-INIZCTEOSA-N 2 0 262.397 2.743 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044762220 175246413 /nfs/dbraw/zinc/24/64/13/175246413.db2.gz WWCBREIRTWAXLV-OAHLLOKOSA-N 2 0 297.487 2.522 10 0 CFAERP CC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OC)C1CCCCC1 ZINC000045372294 175364944 /nfs/dbraw/zinc/36/49/44/175364944.db2.gz QUTOZCZJZVUMNS-MRXNPFEDSA-N 2 0 284.444 2.702 10 0 CFAERP CCCC[NH+](CCCC)CCCC[C@](C)([NH2+]C)C(N)=O ZINC000045380581 175369140 /nfs/dbraw/zinc/36/91/40/175369140.db2.gz RYKOSAAOXOJARG-INIZCTEOSA-N 2 0 285.476 2.522 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C(CC)CC)C(N)=O ZINC000045391471 175374341 /nfs/dbraw/zinc/37/43/41/175374341.db2.gz MVICEQYKJUVMPL-INIZCTEOSA-N 2 0 285.476 2.521 10 0 CFAERP CCC[NH2+][C@](C)(CCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420426 175378750 /nfs/dbraw/zinc/37/87/50/175378750.db2.gz GLSIOHXSWRPMKG-QGZVFWFLSA-N 2 0 299.503 2.624 10 0 CFAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263618 176096470 /nfs/dbraw/zinc/09/64/70/176096470.db2.gz HWVOPZYSQJFMQJ-NWDGAFQWSA-N 2 0 250.361 2.905 10 0 CFAERP CC[N@H+](CCC[C@H]([NH3+])c1ccccc1)[C@@H](C)COC ZINC000071401941 176153837 /nfs/dbraw/zinc/15/38/37/176153837.db2.gz BDTDTDDOKNJZFY-HOCLYGCPSA-N 2 0 264.413 2.823 10 0 CFAERP C[N@H+](CCC[C@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000071401725 176154146 /nfs/dbraw/zinc/15/41/46/176154146.db2.gz ZSQFJVZMHWBXBU-INIZCTEOSA-N 2 0 262.397 2.577 10 0 CFAERP [NH3+][C@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000071584850 176209851 /nfs/dbraw/zinc/20/98/51/176209851.db2.gz FZIHZPJTCSLZGN-DLBZAZTESA-N 2 0 258.409 2.821 10 0 CFAERP CCCCOc1ccc([C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC000071594633 176217572 /nfs/dbraw/zinc/21/75/72/176217572.db2.gz KNHOYLGDZWCDCQ-MRXNPFEDSA-N 2 0 262.397 2.865 10 0 CFAERP COc1cccc([C@H](CC[NH3+])C[NH+]2CCCCC2)c1 ZINC000076676252 177056278 /nfs/dbraw/zinc/05/62/78/177056278.db2.gz AGYHCEYKOVRDOL-OAHLLOKOSA-N 2 0 262.397 2.614 10 0 CFAERP CC[NH2+][C@H](C)c1csc(CC[NH+](CC)CC)n1 ZINC000076810603 177103107 /nfs/dbraw/zinc/10/31/07/177103107.db2.gz TWQUKYNBZXHBFH-LLVKDONJSA-N 2 0 255.431 2.698 10 0 CFAERP C[C@H](CC[NH3+])CCC[N@@H+]1CCc2sccc2C1 ZINC000079193034 177442297 /nfs/dbraw/zinc/44/22/97/177442297.db2.gz GGAUANRFJWIKOO-LBPRGKRZSA-N 2 0 252.427 2.871 10 0 CFAERP CCOC1CC[NH+](CCC[C@@H](CC)CC[NH3+])CC1 ZINC000079213890 177449140 /nfs/dbraw/zinc/44/91/40/177449140.db2.gz ZABYXTJITDCCQV-CQSZACIVSA-N 2 0 256.434 2.643 10 0 CFAERP C[C@H]([NH2+]CCCCOCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521423699 262326108 /nfs/dbraw/zinc/32/61/08/262326108.db2.gz HNAVNVZLKWUCDX-FUHWJXTLSA-N 2 0 290.451 2.961 10 0 CFAERP C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400442723 274252859 /nfs/dbraw/zinc/25/28/59/274252859.db2.gz MVGQHQINYYFAGC-GHMZBOCLSA-N 2 0 272.314 2.793 10 0 CFAERP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2[nH+]1 ZINC000261825601 274710580 /nfs/dbraw/zinc/71/05/80/274710580.db2.gz UJCCHRKOVIRPDU-ZFWWWQNUSA-N 2 0 267.376 2.731 10 0 CFAERP CC1(C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000261778008 278341462 /nfs/dbraw/zinc/34/14/62/278341462.db2.gz SYRRBOLUULKDMT-LSDHHAIUSA-N 2 0 262.372 2.872 10 0 CFAERP CC1(C)CN(c2cc[nH+]c3ccccc32)CC[C@@H]1[NH3+] ZINC000261570902 278344254 /nfs/dbraw/zinc/34/42/54/278344254.db2.gz PTHJSWKIAHOYTJ-HNNXBMFYSA-N 2 0 255.365 2.798 10 0 CFAERP CC1CC[NH+](CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630778 278540472 /nfs/dbraw/zinc/54/04/72/278540472.db2.gz IBDIRGVEXRJIFN-JYJNAYRXSA-N 2 0 280.456 2.512 10 0 CFAERP C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000085636262 289700437 /nfs/dbraw/zinc/70/04/37/289700437.db2.gz XKKFLGRQKSGXDM-UGUYLWEFSA-N 2 0 280.456 2.512 10 0 CFAERP C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000565821671 290327318 /nfs/dbraw/zinc/32/73/18/290327318.db2.gz ZATJZVUXBKJWSG-TZMCWYRMSA-N 2 0 266.816 2.860 10 0 CFAERP Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000382471438 324429033 /nfs/dbraw/zinc/42/90/33/324429033.db2.gz PYUXOBWIDXLZPK-OLZOCXBDSA-N 2 0 255.365 2.504 10 0 CFAERP CC(C)[NH2+]CC1(C[NH+]2CCC(C)CC2)CCOCC1 ZINC000052180631 519719972 /nfs/dbraw/zinc/71/99/72/519719972.db2.gz MBBPDJPCXLDSDY-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP CC(C)C[NH2+]CCCCC[N@H+](C)CCc1ccccn1 ZINC000052423948 519743457 /nfs/dbraw/zinc/74/34/57/519743457.db2.gz MDAXUFJOHCQMMP-UHFFFAOYSA-N 2 0 277.456 2.972 10 0 CFAERP CC[NH2+]CCCCC[N@H+](CCOC)C(CC)CC ZINC000052573382 519919283 /nfs/dbraw/zinc/91/92/83/519919283.db2.gz VRZJTAWMSYGZRI-UHFFFAOYSA-N 2 0 258.450 2.903 10 0 CFAERP CCC[NH2+]Cc1ccoc1C[N@H+](CC)[C@@H](C)COC ZINC000052504762 519957905 /nfs/dbraw/zinc/95/79/05/519957905.db2.gz DCLRMOSFGQIAKI-ZDUSSCGKSA-N 2 0 268.401 2.636 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)[C@H](C)CC ZINC000052444128 520009256 /nfs/dbraw/zinc/00/92/56/520009256.db2.gz CXXGESLDXCTQRK-CQSZACIVSA-N 2 0 264.413 2.905 10 0 CFAERP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075309 520665959 /nfs/dbraw/zinc/66/59/59/520665959.db2.gz ISWAMIYRAOJQBO-OWCLPIDISA-N 2 0 269.477 2.569 10 0 CFAERP CC[N@H+](CCOC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052542671 521135710 /nfs/dbraw/zinc/13/57/10/521135710.db2.gz KRYHYXMMSZBGFR-UHFFFAOYSA-N 2 0 268.401 2.554 10 0 CFAERP CCC(CC)C[N@H+](CC)CC1(C[NH3+])CCOCC1 ZINC000052182937 521519101 /nfs/dbraw/zinc/51/91/01/521519101.db2.gz BRUYMMZPIKREDK-UHFFFAOYSA-N 2 0 256.434 2.500 10 0 CFAERP CCCn1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000229937194 521655550 /nfs/dbraw/zinc/65/55/50/521655550.db2.gz VRLCZVOMMZHRPP-UHFFFAOYSA-N 2 0 263.429 2.720 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000052182643 521970445 /nfs/dbraw/zinc/97/04/45/521970445.db2.gz OJSJRZPRWRIOLD-CABCVRRESA-N 2 0 268.445 2.513 10 0 CFAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374532 518762662 /nfs/dbraw/zinc/76/26/62/518762662.db2.gz ASYCGYIFJAEJLV-IAGOWNOFSA-N 2 0 288.435 2.938 10 0 CFAERP CC(C)[N@H+](C)CCOc1ccccc1C[NH2+]C1CC1 ZINC000052419589 519626393 /nfs/dbraw/zinc/62/63/93/519626393.db2.gz IMAHVUOMSWQVTM-UHFFFAOYSA-N 2 0 262.397 2.658 10 0 CFAERP CC(C)[NH2+]CCCCCOCC[NH+]1CCCCC1 ZINC000052670990 519720667 /nfs/dbraw/zinc/72/06/67/519720667.db2.gz JJHHHGSUAYIVDR-UHFFFAOYSA-N 2 0 256.434 2.657 10 0 CFAERP CC(C)[NH2+]CC[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417135 519722154 /nfs/dbraw/zinc/72/21/54/519722154.db2.gz FNBHOGRVFHVGHC-QGZVFWFLSA-N 2 0 289.467 2.581 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419395 519725268 /nfs/dbraw/zinc/72/52/68/519725268.db2.gz UVDDONOQOYQGIA-CVEARBPZSA-N 2 0 268.445 2.797 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)O1 ZINC000052425395 519725346 /nfs/dbraw/zinc/72/53/46/519725346.db2.gz AWDBFYPZWCQUCP-SJORKVTESA-N 2 0 294.414 2.803 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374518 519725647 /nfs/dbraw/zinc/72/56/47/519725647.db2.gz FXKYJTQOZPEGKJ-IAGOWNOFSA-N 2 0 274.408 2.548 10 0 CFAERP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000052481876 519726772 /nfs/dbraw/zinc/72/67/72/519726772.db2.gz IASQDQDIRQDSMZ-UHFFFAOYSA-N 2 0 276.424 2.795 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000052180708 519742848 /nfs/dbraw/zinc/74/28/48/519742848.db2.gz BNUZIFOJRJISNM-INIZCTEOSA-N 2 0 282.472 2.903 10 0 CFAERP CC(C)C[NH2+]CCCCC[N@H+](C)[C@H]1CCSC1 ZINC000052453536 519743151 /nfs/dbraw/zinc/74/31/51/519743151.db2.gz RBQSDXNIZDAQGH-AWEZNQCLSA-N 2 0 258.475 2.840 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456893 519745144 /nfs/dbraw/zinc/74/51/44/519745144.db2.gz VVINHEDLNDVIKU-GOEBONIOSA-N 2 0 280.412 2.505 10 0 CFAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)OC1CC[NH+](C)CC1 ZINC000052596460 519794767 /nfs/dbraw/zinc/79/47/67/519794767.db2.gz HXUQFKAZQRVPCP-CQSZACIVSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)c1ccc([C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049557343 519840094 /nfs/dbraw/zinc/84/00/94/519840094.db2.gz XUNOLCPFHCTPEB-WMLDXEAASA-N 2 0 278.440 2.773 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000049150137 519847776 /nfs/dbraw/zinc/84/77/76/519847776.db2.gz CDZGWLUYLVZUST-HOTGVXAUSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH+]1CCN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052422107 519859756 /nfs/dbraw/zinc/85/97/56/519859756.db2.gz GPLRFSCNUYFSCX-SFHVURJKSA-N 2 0 287.451 2.507 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@H](C)CC)CCOCC1 ZINC000052181180 519909812 /nfs/dbraw/zinc/90/98/12/519909812.db2.gz JGXJSEDMMZSDHD-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H]2CC)CCOCC1 ZINC000052180408 519911111 /nfs/dbraw/zinc/91/11/11/519911111.db2.gz KAXCJOPWAWVULN-OAHLLOKOSA-N 2 0 268.445 2.657 10 0 CFAERP CC[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374736 519919721 /nfs/dbraw/zinc/91/97/21/519919721.db2.gz ZBUIBOFWJIMQIH-HNNXBMFYSA-N 2 0 293.430 2.726 10 0 CFAERP CCC[NH2+]C[C@@H](C(C)C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545255 519920052 /nfs/dbraw/zinc/92/00/52/519920052.db2.gz JMXSQDOUIPWXRT-HOCLYGCPSA-N 2 0 270.461 2.758 10 0 CFAERP CCC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346136 519920061 /nfs/dbraw/zinc/92/00/61/519920061.db2.gz MQUOVPQZQOFVCV-CYBMUJFWSA-N 2 0 252.377 2.893 10 0 CFAERP CCC[NH2+]Cc1cc(C[N@H+](C)C[C@H](C)CC)on1 ZINC000052454090 519943910 /nfs/dbraw/zinc/94/39/10/519943910.db2.gz BXCQRKUIWKAUEN-GFCCVEGCSA-N 2 0 253.390 2.652 10 0 CFAERP CCC[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000052380773 519950827 /nfs/dbraw/zinc/95/08/27/519950827.db2.gz CZTNKDFJDWORFM-GJZGRUSLSA-N 2 0 276.424 2.795 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCCCCC2)O1 ZINC000052482119 519950872 /nfs/dbraw/zinc/95/08/72/519950872.db2.gz CDNSLTGNFHNLTI-HOTGVXAUSA-N 2 0 268.445 2.798 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346398 519951326 /nfs/dbraw/zinc/95/13/26/519951326.db2.gz OYPKWQPALMRYFS-HOTGVXAUSA-N 2 0 296.842 2.929 10 0 CFAERP CC[NH2+]C[C@H](c1ccccc1)N(CC[NH+](C)C)CC(C)C ZINC000052503413 519975621 /nfs/dbraw/zinc/97/56/21/519975621.db2.gz NWSLWSTXMKMVKR-GOSISDBHSA-N 2 0 291.483 2.857 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+](CC(C)C)CC(C)C)O1 ZINC000052485037 519977189 /nfs/dbraw/zinc/97/71/89/519977189.db2.gz VCWTZFCFBDTMJK-CVEARBPZSA-N 2 0 270.461 2.758 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482375 519981801 /nfs/dbraw/zinc/98/18/01/519981801.db2.gz CZOKFEYTKMJZOQ-YLFCFFPRSA-N 2 0 280.456 2.656 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@H+](CC)C(C)C)c1 ZINC000052446815 520007160 /nfs/dbraw/zinc/00/71/60/520007160.db2.gz WVEBWTXROCKSBG-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCCC[N@H+](CCn1cc(C[NH2+]CCC)nn1)[C@@H](C)CC ZINC000052372711 520541739 /nfs/dbraw/zinc/54/17/39/520541739.db2.gz SBJDUEIFQLPURY-HNNXBMFYSA-N 2 0 295.475 2.678 10 0 CFAERP CCn1cc[nH+]c1N[C@H](C)CCC[NH+](CC)CC ZINC000050608301 520631513 /nfs/dbraw/zinc/63/15/13/520631513.db2.gz RLRTVQCQPARDOI-CYBMUJFWSA-N 2 0 252.406 2.825 10 0 CFAERP CC[NH+](CC)CCO[C@@H](C)CCC[NH2+]C(C)(C)C ZINC000052671953 520694166 /nfs/dbraw/zinc/69/41/66/520694166.db2.gz ADVCYHZUZDGYTD-AWEZNQCLSA-N 2 0 258.450 2.902 10 0 CFAERP CC[NH+](CC)CCOc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745916 520697014 /nfs/dbraw/zinc/69/70/14/520697014.db2.gz VJYOGBKUDCYITG-LLVKDONJSA-N 2 0 254.349 2.566 10 0 CFAERP CC[NH+](CC)CCc1ncc(C[NH2+]CC(C)C)s1 ZINC000052331596 520713587 /nfs/dbraw/zinc/71/35/87/520713587.db2.gz UAZUOIHCGVSVIP-UHFFFAOYSA-N 2 0 269.458 2.773 10 0 CFAERP CC[N@H+](CC1CC1)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000069239939 520957327 /nfs/dbraw/zinc/95/73/27/520957327.db2.gz CTMIWYJLVHVLQJ-QGZVFWFLSA-N 2 0 282.472 2.761 10 0 CFAERP CCC[C@H](C)[N@H+](C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181877 521032790 /nfs/dbraw/zinc/03/27/90/521032790.db2.gz SOSBMMPUYNHZQR-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000069380068 521121505 /nfs/dbraw/zinc/12/15/05/521121505.db2.gz BIYRSMMINIJXGI-INIZCTEOSA-N 2 0 269.477 2.700 10 0 CFAERP CCC[C@](C)(C[NH2+]C(C)C)C[N@H+](CCOC)C1CC1 ZINC000051253311 521267275 /nfs/dbraw/zinc/26/72/75/521267275.db2.gz UMSLQKFEHLCLKV-MRXNPFEDSA-N 2 0 270.461 2.902 10 0 CFAERP CCC(C)(C)[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000069429334 521310218 /nfs/dbraw/zinc/31/02/18/521310218.db2.gz XJYUNXMFKMZHQG-LBPRGKRZSA-N 2 0 277.412 2.593 10 0 CFAERP CCC[NH+](CCC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052416769 521648805 /nfs/dbraw/zinc/64/88/05/521648805.db2.gz WIBDNSYONXONTI-UHFFFAOYSA-N 2 0 253.390 2.795 10 0 CFAERP CCCN(CC[NH+](C)C)C[C@H]([NH2+]C)c1ccc(C)cc1C ZINC000045687205 521656785 /nfs/dbraw/zinc/65/67/85/521656785.db2.gz KZKDUFFQVCYXQJ-SFHVURJKSA-N 2 0 291.483 2.838 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)C2CCC(C)CC2)CCOCC1 ZINC000052197777 521964575 /nfs/dbraw/zinc/96/45/75/521964575.db2.gz USCSBMLWDWSYSO-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372938 521998197 /nfs/dbraw/zinc/99/81/97/521998197.db2.gz DYXCBZMIHACVEV-CYBMUJFWSA-N 2 0 250.386 2.515 10 0 CFAERP CC[C@@H](C)[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181191 522048509 /nfs/dbraw/zinc/04/85/09/522048509.db2.gz JGUGXHJKHIHXOG-CQSZACIVSA-N 2 0 270.461 2.902 10 0 CFAERP CC[C@@H](C)[N@H+](CCC[C@@H]1CCCC[NH2+]1)CCOC ZINC000050953694 522088939 /nfs/dbraw/zinc/08/89/39/522088939.db2.gz JFWXCRHLZUDIDL-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP C[NH2+]Cc1ccc(OCC[N@H+](C)CC(C)(C)C)cc1 ZINC000052570115 522123199 /nfs/dbraw/zinc/12/31/99/522123199.db2.gz RWCZUUBAXWQSAM-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP C[NH2+]Cc1ccoc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373060 522141666 /nfs/dbraw/zinc/14/16/66/522141666.db2.gz NUZQLBVBFNJRKB-INIZCTEOSA-N 2 0 270.376 2.989 10 0 CFAERP CC[C@H]([NH3+])c1ccccc1OCCC[NH+]1CCCC1 ZINC000049331758 522349051 /nfs/dbraw/zinc/34/90/51/522349051.db2.gz UULUQDJCLNLPSB-HNNXBMFYSA-N 2 0 262.397 2.961 10 0 CFAERP C[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@H]1C[N@H+](C)CC1CC1 ZINC000054560069 522395837 /nfs/dbraw/zinc/39/58/37/522395837.db2.gz BPHAFNXYRJPVIN-OWCLPIDISA-N 2 0 252.446 2.989 10 0 CFAERP CC[C@@H]([NH3+])c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049331744 522656130 /nfs/dbraw/zinc/65/61/30/522656130.db2.gz VYPUOQNINZRHFS-MRXNPFEDSA-N 2 0 262.397 2.961 10 0 CFAERP COC1CC[NH+](Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052455194 522706792 /nfs/dbraw/zinc/70/67/92/522706792.db2.gz YNYYUOUHVATUFI-UHFFFAOYSA-N 2 0 280.412 2.779 10 0 CFAERP COC1CC[NH+](Cc2ccoc2C[NH2+]CC(C)C)CC1 ZINC000052455476 522708173 /nfs/dbraw/zinc/70/81/73/522708173.db2.gz BORPDAFHGCMYAL-UHFFFAOYSA-N 2 0 280.412 2.636 10 0 CFAERP C[N@H+](CCC[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000052764667 522787363 /nfs/dbraw/zinc/78/73/63/522787363.db2.gz FLDXIKBQPGRLKJ-OAHLLOKOSA-N 2 0 250.361 2.790 10 0 CFAERP C[N@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CCCC1 ZINC000052444985 523077983 /nfs/dbraw/zinc/07/79/83/523077983.db2.gz GGLYKNANBGJAEG-GJZGRUSLSA-N 2 0 268.445 2.797 10 0 CFAERP CC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000246501794 523304642 /nfs/dbraw/zinc/30/46/42/523304642.db2.gz XUSPVNZDTKXDSA-GJZGRUSLSA-N 2 0 299.418 2.516 10 0 CFAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCC[NH2+]CC(C)C ZINC000052570767 523514369 /nfs/dbraw/zinc/51/43/69/523514369.db2.gz CLXZZSVIXMYVTR-HUUCEWRRSA-N 2 0 256.434 2.512 10 0 CFAERP C[N@@H+]1CCC[C@H]1CCOc1ccc(Cl)cc1C[NH3+] ZINC000052858527 523850704 /nfs/dbraw/zinc/85/07/04/523850704.db2.gz NPSIVPUSNQSQLI-ZDUSSCGKSA-N 2 0 268.788 2.662 10 0 CFAERP CC[C@H](C)C[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181450 523867141 /nfs/dbraw/zinc/86/71/41/523867141.db2.gz PSBIHUYZMQIGQV-AWEZNQCLSA-N 2 0 268.445 2.513 10 0 CFAERP CC[C@H](C)[N@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052451152 523934241 /nfs/dbraw/zinc/93/42/41/523934241.db2.gz HFHRKDKTQFHOHT-LBPRGKRZSA-N 2 0 253.390 2.793 10 0 CFAERP CC[C@H](C)[N@H+](CCC[C@@H]1CCCC[NH2+]1)CCOC ZINC000050953696 523936317 /nfs/dbraw/zinc/93/63/17/523936317.db2.gz JFWXCRHLZUDIDL-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP C[C@H](CCC[NH3+])[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443403 524139846 /nfs/dbraw/zinc/13/98/46/524139846.db2.gz JYMPAZVCXVJWBR-CYBMUJFWSA-N 2 0 281.831 2.589 10 0 CFAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCOc1ccccc1 ZINC000061815910 524405140 /nfs/dbraw/zinc/40/51/40/524405140.db2.gz VLGAAEKUGDKYML-LSDHHAIUSA-N 2 0 262.397 2.515 10 0 CFAERP C[C@@H](CC[NH+](C)C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049559113 524480873 /nfs/dbraw/zinc/48/08/73/524480873.db2.gz WFUBBTHVPXPNRC-VIFPVBQESA-N 2 0 266.776 2.785 10 0 CFAERP Cc1cc(C[NH3+])cc(C)c1OCCC[NH+]1CCCC1 ZINC000049331764 524670332 /nfs/dbraw/zinc/67/03/32/524670332.db2.gz UTPUMNYRRZMBRR-UHFFFAOYSA-N 2 0 262.397 2.627 10 0 CFAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCc2ccccc2F)C1 ZINC000049664181 524697513 /nfs/dbraw/zinc/69/75/13/524697513.db2.gz HDTGKHXLIUHRGW-KBPBESRZSA-N 2 0 264.388 2.546 10 0 CFAERP C[C@H]1C[C@@H](C[NH+]2CCC(c3nccs3)CC2)CC[NH2+]1 ZINC000335179755 524779403 /nfs/dbraw/zinc/77/94/03/524779403.db2.gz XEVFMVNGRHGOOE-STQMWFEESA-N 2 0 279.453 2.711 10 0 CFAERP Cc1cccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262038266 524855580 /nfs/dbraw/zinc/85/55/80/524855580.db2.gz XYUKRGVUQBYGQQ-NVXWUHKLSA-N 2 0 258.409 2.784 10 0 CFAERP CSC[C@@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000069439247 525622414 /nfs/dbraw/zinc/62/24/14/525622414.db2.gz HREOAOCFJBIWBN-ZDUSSCGKSA-N 2 0 279.453 2.639 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182075 525640366 /nfs/dbraw/zinc/64/03/66/525640366.db2.gz KJBAZBKRDQYRJA-LSDHHAIUSA-N 2 0 280.456 2.656 10 0 CFAERP Cc1oc(CN2CCC[N@@H+](C)CC2)cc1C[NH2+]C(C)(C)C ZINC000052424188 526771349 /nfs/dbraw/zinc/77/13/49/526771349.db2.gz ITQJGZKROYUYES-UHFFFAOYSA-N 2 0 293.455 2.614 10 0 CFAERP Cc1oc(C[NH2+]CC(C)C)cc1C[NH+]1CCCC1 ZINC000052377592 526774619 /nfs/dbraw/zinc/77/46/19/526774619.db2.gz SSEWMIISEVJQDF-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP [NH3+]CCC[N@H+](CCCOCC(F)(F)F)C1CCCC1 ZINC000049312080 527179317 /nfs/dbraw/zinc/17/93/17/527179317.db2.gz LQFRUJURQINIPE-UHFFFAOYSA-N 2 0 282.350 2.549 10 0 CFAERP Cc1[nH+]ccc(NCC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000261547697 618100323 /nfs/dbraw/zinc/10/03/23/618100323.db2.gz IOINJYDOWLXXMN-NSHDSACASA-N 2 0 253.777 2.845 10 0 CFAERP C[C@H](c1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1)[NH+]1CCCC1 ZINC000095384234 618279221 /nfs/dbraw/zinc/27/92/21/618279221.db2.gz IBSVUKZETJHECW-CYBMUJFWSA-N 2 0 296.418 2.879 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@H]12 ZINC000261622362 619179436 /nfs/dbraw/zinc/17/94/36/619179436.db2.gz UUTKRDGQVKBBPZ-MELADBBJSA-N 2 0 266.335 2.793 10 0 CFAERP CCCc1nc(CC[NH+](CC)CC)sc1C[NH2+]C ZINC000082428840 178005200 /nfs/dbraw/zinc/00/52/00/178005200.db2.gz YFZAXUXALPBYIK-UHFFFAOYSA-N 2 0 269.458 2.699 10 0 CFAERP C[NH2+][C@@](C)(CO)CCCC[N@H+](C)CC1CCCCC1 ZINC000085260943 178991523 /nfs/dbraw/zinc/99/15/23/178991523.db2.gz IONRQNZIFNYKBL-MRXNPFEDSA-N 2 0 270.461 2.639 10 0 CFAERP [NH3+]CCCC[NH+]1CCN(c2cccc3sccc32)CC1 ZINC000142354391 347934326 /nfs/dbraw/zinc/93/43/26/347934326.db2.gz QOVXKOQNCJXWOT-UHFFFAOYSA-N 2 0 289.448 2.762 10 0 CFAERP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818726 179347363 /nfs/dbraw/zinc/34/73/63/179347363.db2.gz NVKGHPNIJMKZNI-ZBFHGGJFSA-N 2 0 276.424 2.700 10 0 CFAERP COc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818652 179347166 /nfs/dbraw/zinc/34/71/66/179347166.db2.gz RMUKWALHHZYZHG-HIFRSBDPSA-N 2 0 262.397 2.830 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCCOc2ccccc2)CC1 ZINC000086844171 179355741 /nfs/dbraw/zinc/35/57/41/179355741.db2.gz OBPSVCBTCADAHM-MRXNPFEDSA-N 2 0 276.424 2.920 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@H](NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086842107 179353832 /nfs/dbraw/zinc/35/38/32/179353832.db2.gz POALVXJCKNOTMG-QZTJIDSGSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[N@@H+]1CCC[C@H](NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844693 179355087 /nfs/dbraw/zinc/35/50/87/179355087.db2.gz DPCRLJGBLBLJGL-SJORKVTESA-N 2 0 281.488 2.572 10 0 CFAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC1 ZINC000253603749 348301855 /nfs/dbraw/zinc/30/18/55/348301855.db2.gz LOJCVJUJPDNHRV-HALDLXJZSA-N 2 0 258.409 2.895 10 0 CFAERP C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1O)[N@H+](C)Cc1ccccc1 ZINC000379653243 348522419 /nfs/dbraw/zinc/52/24/19/348522419.db2.gz ZAMPMEHWPHQHBA-KBAYOESNSA-N 2 0 290.451 2.790 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@H]1CC2CCC1CC2 ZINC000400361034 348572483 /nfs/dbraw/zinc/57/24/83/348572483.db2.gz CBHZQRPMLDQILI-VQSTVTDHSA-N 2 0 250.430 2.789 10 0 CFAERP C[C@@H]1CC[NH+](CCOC2CCCCC2)CC[C@@H](C)[NH2+]1 ZINC000104439112 186001944 /nfs/dbraw/zinc/00/19/44/186001944.db2.gz MQGJBPIURJGYMF-HUUCEWRRSA-N 2 0 268.445 2.798 10 0 CFAERP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000105862282 186079996 /nfs/dbraw/zinc/07/99/96/186079996.db2.gz SWIJAVJTFWTFIN-INIZCTEOSA-N 2 0 290.451 2.520 10 0 CFAERP C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000631836580 355600713 /nfs/dbraw/zinc/60/07/13/355600713.db2.gz BUGJEYTXYOSBEB-MFKMUULPSA-N 2 0 254.324 2.651 10 0 CFAERP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839398 355601005 /nfs/dbraw/zinc/60/10/05/355601005.db2.gz FYZGVJOFWDHPDY-MDZLAQPJSA-N 2 0 284.350 2.876 10 0 CFAERP CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000136331874 541295658 /nfs/dbraw/zinc/29/56/58/541295658.db2.gz TWNPAXOMUUNABC-MRXNPFEDSA-N 2 0 289.423 2.594 10 0 CFAERP C[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C[NH3+])cc13 ZINC000013532335 372031460 /nfs/dbraw/zinc/03/14/60/372031460.db2.gz XYIFHCHUVGLMRO-CGTJXYLNSA-N 2 0 270.420 2.834 10 0 CFAERP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000020200442 372234546 /nfs/dbraw/zinc/23/45/46/372234546.db2.gz CUDYWTLBOYXONU-CVEARBPZSA-N 2 0 295.515 2.817 10 0 CFAERP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@]1(C)CC[NH+](C)C1 ZINC000067847228 374008898 /nfs/dbraw/zinc/00/88/98/374008898.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 2 0 298.434 2.646 10 0 CFAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CC1 ZINC000095090644 375411566 /nfs/dbraw/zinc/41/15/66/375411566.db2.gz LOJCVJUJPDNHRV-KBPBESRZSA-N 2 0 258.409 2.895 10 0 CFAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261507923 190040267 /nfs/dbraw/zinc/04/02/67/190040267.db2.gz NWKPTWWOFZVAAU-AAEUAGOBSA-N 2 0 272.314 2.527 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000129273689 377407836 /nfs/dbraw/zinc/40/78/36/377407836.db2.gz NARAXWQQVZXVLY-WCQYABFASA-N 2 0 252.427 2.719 10 0 CFAERP CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000130408463 377551350 /nfs/dbraw/zinc/55/13/50/377551350.db2.gz IUVKYDPKITVORW-OAHLLOKOSA-N 2 0 270.380 2.678 10 0 CFAERP CC[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000151927956 378374069 /nfs/dbraw/zinc/37/40/69/378374069.db2.gz NAXSYVZLTBGLPJ-QAPCUYQASA-N 2 0 290.451 2.820 10 0 CFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(C)nc(C2CC2)n1 ZINC000174924601 379962380 /nfs/dbraw/zinc/96/23/80/379962380.db2.gz LZXWPGFSQUHTML-HUUCEWRRSA-N 2 0 286.423 2.725 10 0 CFAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)CC1 ZINC000336528007 380417306 /nfs/dbraw/zinc/41/73/06/380417306.db2.gz ZIAWBGZPNOFHNJ-FUHWJXTLSA-N 2 0 293.499 2.665 10 0 CFAERP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000180044783 380613282 /nfs/dbraw/zinc/61/32/82/380613282.db2.gz FYEBBXBAHRZQMB-MSOLQXFVSA-N 2 0 290.451 2.820 10 0 CFAERP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000180044750 380614070 /nfs/dbraw/zinc/61/40/70/380614070.db2.gz FYEBBXBAHRZQMB-ROUUACIJSA-N 2 0 290.451 2.820 10 0 CFAERP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400337336 380857376 /nfs/dbraw/zinc/85/73/76/380857376.db2.gz HTGNPHIHQFRVBC-ZYHUDNBSSA-N 2 0 283.213 2.537 10 0 CFAERP CC(C)c1nc([C@H]2CCCN2CCCn2ccnc2)no1 ZINC000183170255 381224555 /nfs/dbraw/zinc/22/45/55/381224555.db2.gz JQZMJGIZTURTDI-CYBMUJFWSA-N 2 0 289.383 2.617 10 0 CFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3cnccn3)C2)[nH+]1 ZINC000184567260 381433999 /nfs/dbraw/zinc/43/39/99/381433999.db2.gz OSVDPFJKBMGDSR-LSDHHAIUSA-N 2 0 297.406 2.675 10 0 CFAERP Cc1ccc2[nH+]ccc(NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000185502514 381651261 /nfs/dbraw/zinc/65/12/61/381651261.db2.gz IAOBJKXTCOSCIK-OAHLLOKOSA-N 2 0 299.418 2.802 10 0 CFAERP CC[N@H+](CCO)CCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000302229469 382223484 /nfs/dbraw/zinc/22/34/84/382223484.db2.gz WHHRFQICCZNXBF-UHFFFAOYSA-N 2 0 287.407 2.578 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)NC1=[NH+]CCCS1 ZINC000020586392 184535936 /nfs/dbraw/zinc/53/59/36/184535936.db2.gz IGQUDDAVPYUWSS-GFCCVEGCSA-N 2 0 257.447 2.579 10 0 CFAERP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000381124924 382518665 /nfs/dbraw/zinc/51/86/65/382518665.db2.gz FFIGWDZJBNHFCC-SLBVQIDZSA-N 2 0 250.430 2.872 10 0 CFAERP C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000389910720 382617414 /nfs/dbraw/zinc/61/74/14/382617414.db2.gz JNMNITVUOLLLHG-RDJZCZTQSA-N 2 0 276.424 2.714 10 0 CFAERP [NH3+]CCC[C@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000575440194 382771817 /nfs/dbraw/zinc/77/18/17/382771817.db2.gz NGFGALAYVQRQFV-JTQLQIEISA-N 2 0 277.593 2.841 10 0 CFAERP Cc1ccc(F)c(CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231454640 382864903 /nfs/dbraw/zinc/86/49/03/382864903.db2.gz SINGGHCMDVCZIZ-CQSZACIVSA-N 2 0 250.361 2.708 10 0 CFAERP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000245937347 383051363 /nfs/dbraw/zinc/05/13/63/383051363.db2.gz UFLMPWKHVAWVAX-JKIFEVAISA-N 2 0 276.424 2.558 10 0 CFAERP C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568987634 383456652 /nfs/dbraw/zinc/45/66/52/383456652.db2.gz GTESFOFJCAVOOZ-CVEARBPZSA-N 3 0 281.488 2.619 10 0 CFAERP Brc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000261543344 383508817 /nfs/dbraw/zinc/50/88/17/383508817.db2.gz CXEPKUWINAHHQU-CQSZACIVSA-N 2 0 297.240 2.723 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]12 ZINC000261552552 383510082 /nfs/dbraw/zinc/51/00/82/383510082.db2.gz NAMQODWQWBBGNA-KWCYVHTRSA-N 2 0 250.773 2.509 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C4CC4)c3)C[C@H]12 ZINC000261588740 383522370 /nfs/dbraw/zinc/52/23/70/383522370.db2.gz KIKOSWKDRVPLMF-YESZJQIVSA-N 2 0 256.393 2.733 10 0 CFAERP Cc1cc2cc(CN3C[C@H](C)[C@H]([NH3+])C3)oc2cc1C ZINC000261924622 383580729 /nfs/dbraw/zinc/58/07/29/383580729.db2.gz BZVROFXKGKEXGA-SWLSCSKDSA-N 2 0 258.365 2.829 10 0 CFAERP CCOc1c(Cl)cccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261950776 383584662 /nfs/dbraw/zinc/58/46/62/383584662.db2.gz NXZMKGNIWZEZKT-LNSITVRQSA-N 2 0 294.826 2.908 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)C[C@H]12 ZINC000262582927 383628818 /nfs/dbraw/zinc/62/88/18/383628818.db2.gz ZFMFMUVDFYYLIO-NZSAHSFTSA-N 2 0 296.414 2.888 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)C[C@@H]12 ZINC000262582924 383628839 /nfs/dbraw/zinc/62/88/39/383628839.db2.gz ZFMFMUVDFYYLIO-BHIYHBOVSA-N 2 0 296.414 2.888 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc4ccccc4c3)C[C@@H]12 ZINC000262582930 383628956 /nfs/dbraw/zinc/62/89/56/383628956.db2.gz ZFMFMUVDFYYLIO-QXAKKESOSA-N 2 0 296.414 2.888 10 0 CFAERP C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572850219 383828097 /nfs/dbraw/zinc/82/80/97/383828097.db2.gz DQAXXJHONRNZRP-DFULUXCASA-N 2 0 258.409 2.910 10 0 CFAERP C[N@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000381588742 393564439 /nfs/dbraw/zinc/56/44/39/393564439.db2.gz DBOJSESHJYLWEM-STQMWFEESA-N 2 0 260.372 2.886 10 0 CFAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381668275 393565973 /nfs/dbraw/zinc/56/59/73/393565973.db2.gz KSQHKVXLXOIRKJ-QWHCGFSZSA-N 2 0 260.372 2.743 10 0 CFAERP C[NH2+]CC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381754386 393567156 /nfs/dbraw/zinc/56/71/56/393567156.db2.gz WIFHSUQSLHSXMD-CYBMUJFWSA-N 2 0 260.372 2.743 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@@H]1CC[NH2+]C1 ZINC000400406216 393601019 /nfs/dbraw/zinc/60/10/19/393601019.db2.gz RUKHCRDJRYDHPB-DMDPSCGWSA-N 2 0 250.411 2.713 10 0 CFAERP CCC[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195266448 393736479 /nfs/dbraw/zinc/73/64/79/393736479.db2.gz FBNWYNLJJNNMKE-ZDUSSCGKSA-N 2 0 267.442 2.615 10 0 CFAERP C[C@H]1C[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092389151 135076329 /nfs/dbraw/zinc/07/63/29/135076329.db2.gz LXHMTHILHCHNRH-WFASDCNBSA-N 2 0 293.842 2.590 10 0 CFAERP CC(C)(C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000647512613 395367444 /nfs/dbraw/zinc/36/74/44/395367444.db2.gz IRJSETZHOHMZRQ-NUEKZKHPSA-N 2 0 258.409 2.633 10 0 CFAERP C[C@H]([NH3+])Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000006850827 170249285 /nfs/dbraw/zinc/24/92/85/170249285.db2.gz RCBDVIPAZNXVSM-HNNXBMFYSA-N 2 0 276.424 2.831 10 0 CFAERP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000020128754 171016609 /nfs/dbraw/zinc/01/66/09/171016609.db2.gz KSUDZZFNXQAXGM-CQSZACIVSA-N 2 0 262.397 2.919 10 0 CFAERP C[N@H+](Cc1cccc(F)c1)Cc1cccc(C[NH3+])c1 ZINC000020266387 171122897 /nfs/dbraw/zinc/12/28/97/171122897.db2.gz CUGVLJUTGWYBHZ-UHFFFAOYSA-N 2 0 258.340 2.916 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCOCC)C1 ZINC000037210314 173032779 /nfs/dbraw/zinc/03/27/79/173032779.db2.gz UVIYACTZOYWZIG-CABCVRRESA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCCOCC)CC1 ZINC000037210309 173032834 /nfs/dbraw/zinc/03/28/34/173032834.db2.gz FHSOQXDBJWISPI-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000037220127 173038451 /nfs/dbraw/zinc/03/84/51/173038451.db2.gz AQPWZMFTXGFMNZ-KBPBESRZSA-N 2 0 261.413 2.853 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000037220961 173039171 /nfs/dbraw/zinc/03/91/71/173039171.db2.gz AHVRXJYOBKLSMB-YSVLISHTSA-N 2 0 258.409 2.994 10 0 CFAERP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000037221929 173041360 /nfs/dbraw/zinc/04/13/60/173041360.db2.gz NVFKUCIVSKYEOY-GXTWGEPZSA-N 2 0 250.361 2.646 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCCOC(C)C)CC1 ZINC000037221629 173041609 /nfs/dbraw/zinc/04/16/09/173041609.db2.gz CNOJVYZZBLLOJH-CQSZACIVSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nccn1C(F)F ZINC000037302463 173107846 /nfs/dbraw/zinc/10/78/46/173107846.db2.gz OXXLGVILXINAPK-LBPRGKRZSA-N 2 0 288.386 2.878 10 0 CFAERP C[C@H]([NH2+]C1CCC(C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000665283757 414255058 /nfs/dbraw/zinc/25/50/58/414255058.db2.gz ULLSLJBBLPAXJI-LKGAJIBZSA-N 2 0 250.430 2.933 10 0 CFAERP CC(C)=CC[NH+]1CCC(NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000038029076 174018549 /nfs/dbraw/zinc/01/85/49/174018549.db2.gz FSLPSLKCLOHSJS-KRWDZBQOSA-N 2 0 293.499 2.881 10 0 CFAERP C[C@@H]1CCCC[C@]1(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693817 174377657 /nfs/dbraw/zinc/37/76/57/174377657.db2.gz OSNGSJYEMKOJJW-SJLPKXTDSA-N 2 0 293.499 2.844 10 0 CFAERP [NH3+][C@@H]1CCCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693974 174377784 /nfs/dbraw/zinc/37/77/84/174377784.db2.gz OEBKNZZAXXIXMI-QZTJIDSGSA-N 2 0 293.499 2.987 10 0 CFAERP CCCN(c1cccc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748930 174393944 /nfs/dbraw/zinc/39/39/44/174393944.db2.gz GJEHSAAGWHLHLV-YIONKMFJSA-N 2 0 259.397 2.889 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1Cl ZINC000040749087 174393978 /nfs/dbraw/zinc/39/39/78/174393978.db2.gz AFYLWGAXDUYIQF-FGWVZKOKSA-N 2 0 268.763 2.933 10 0 CFAERP COc1ccc(CC[C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749447 174394413 /nfs/dbraw/zinc/39/44/13/174394413.db2.gz AHPDSBXYXXXSLG-LNRIEFBSSA-N 2 0 288.435 2.970 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCSc1ccc(F)cc1 ZINC000040750312 174395301 /nfs/dbraw/zinc/39/53/01/174395301.db2.gz JGLOPNAYVVOQJE-AGUYFDCRSA-N 2 0 280.412 2.872 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2cc(C)sc2C)CC1 ZINC000042615625 174828853 /nfs/dbraw/zinc/82/88/53/174828853.db2.gz WURZERHGAABEOX-INIZCTEOSA-N 2 0 295.496 2.781 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccccc1C)N1CCC([NH+](C)C)CC1 ZINC000043035424 174950461 /nfs/dbraw/zinc/95/04/61/174950461.db2.gz UQABQZLPVGYTNL-ZWKOTPCHSA-N 2 0 289.467 2.799 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCC([NH+](C)C)CC1 ZINC000043248062 174992145 /nfs/dbraw/zinc/99/21/45/174992145.db2.gz IHXWYWVVTBHLFR-LSDHHAIUSA-N 2 0 295.496 2.861 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CC[NH+](C)C)CC(C)C ZINC000043365385 175026374 /nfs/dbraw/zinc/02/63/74/175026374.db2.gz AWBACATXOPGWDC-NVXWUHKLSA-N 2 0 295.471 2.886 10 0 CFAERP COc1ccc(C[N@H+](CCC[NH3+])CC(C)C)cc1F ZINC000043417423 175038191 /nfs/dbraw/zinc/03/81/91/175038191.db2.gz PYXWPAUUPPEUPB-UHFFFAOYSA-N 2 0 268.376 2.641 10 0 CFAERP CCCC[C@H](CC)C[NH+]1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000043454550 175049841 /nfs/dbraw/zinc/04/98/41/175049841.db2.gz DJIBFAZJDHSEGB-IRXDYDNUSA-N 2 0 283.504 2.948 10 0 CFAERP CCC[NH2+]Cc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000043479059 175055455 /nfs/dbraw/zinc/05/54/55/175055455.db2.gz MYNOBNQWHGFYHB-UHFFFAOYSA-N 2 0 270.804 2.780 10 0 CFAERP Nc1cc[nH+]c(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000043568358 175067272 /nfs/dbraw/zinc/06/72/72/175067272.db2.gz MHBACYGEVBOALO-UHFFFAOYSA-N 2 0 282.391 2.740 10 0 CFAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(C)c(C)c2)CC1 ZINC000043805376 175107340 /nfs/dbraw/zinc/10/73/40/175107340.db2.gz YCKCANKQFFKZIW-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH+]1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2[NH2+]CC)CC1 ZINC000043805512 175107916 /nfs/dbraw/zinc/10/79/16/175107916.db2.gz QHLGYRNPSIUEIY-YESZJQIVSA-N 2 0 281.488 2.571 10 0 CFAERP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000043805926 175108095 /nfs/dbraw/zinc/10/80/95/175108095.db2.gz PUVXEEFTMIYPMU-QAPCUYQASA-N 2 0 289.467 2.536 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1ccc(CC)cc1 ZINC000043806094 175108285 /nfs/dbraw/zinc/10/82/85/175108285.db2.gz NIFJOWNRENBGNZ-GOSISDBHSA-N 2 0 289.467 2.537 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000043811015 175110076 /nfs/dbraw/zinc/11/00/76/175110076.db2.gz KGMKJEPXXDJGGR-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815400 175112605 /nfs/dbraw/zinc/11/26/05/175112605.db2.gz GOZYTPVFHXFWMU-UAGQMJEPSA-N 2 0 281.488 2.569 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818455 175113454 /nfs/dbraw/zinc/11/34/54/175113454.db2.gz UHRXGCZORFLPFL-QZTJIDSGSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@H](C)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817819 175113463 /nfs/dbraw/zinc/11/34/63/175113463.db2.gz KPSAMFWNJDGRTE-SJLPKXTDSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818548 175113691 /nfs/dbraw/zinc/11/36/91/175113691.db2.gz ZMTABGDZBUIEDV-BBWFWOEESA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818582 175114107 /nfs/dbraw/zinc/11/41/07/175114107.db2.gz MGFXLEOCCPOJIF-HZPDHXFCSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CCC)C(C)C)OCCO2 ZINC000043885287 175116434 /nfs/dbraw/zinc/11/64/34/175116434.db2.gz OMOLUNNVKUHNRP-JKSUJKDBSA-N 2 0 298.471 2.771 10 0 CFAERP CCC[N@H+](C)Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000043886006 175116724 /nfs/dbraw/zinc/11/67/24/175116724.db2.gz MVCPBNPBKOLUMO-LBPRGKRZSA-N 2 0 250.386 2.817 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C(CC)CC)OCCO2 ZINC000043896193 175119199 /nfs/dbraw/zinc/11/91/99/175119199.db2.gz NKSGOHAWPDTVMZ-HOTGVXAUSA-N 2 0 298.471 2.771 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895739 175119232 /nfs/dbraw/zinc/11/92/32/175119232.db2.gz UUJRMYHILFZGKA-HRCADAONSA-N 2 0 298.471 2.627 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897162 175119923 /nfs/dbraw/zinc/11/99/23/175119923.db2.gz OEHNOINPAJJAAM-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1cc(C)ccc1C ZINC000043897314 175120181 /nfs/dbraw/zinc/12/01/81/175120181.db2.gz QHBGCDHGDPSZQA-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP CCC[NH2+][C@H]1CCOC[C@H]1[NH+](CC(C)C)CC(C)C ZINC000043909745 175123435 /nfs/dbraw/zinc/12/34/35/175123435.db2.gz MANAINIJIMGZAR-JKSUJKDBSA-N 2 0 270.461 2.758 10 0 CFAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965444 175126686 /nfs/dbraw/zinc/12/66/86/175126686.db2.gz OTYDREYFEKYNPB-WBVHZDCISA-N 2 0 289.467 2.752 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000043965677 175127105 /nfs/dbraw/zinc/12/71/05/175127105.db2.gz SZAOMWSOGBNEMB-OAHLLOKOSA-N 2 0 283.504 2.817 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965712 175127363 /nfs/dbraw/zinc/12/73/63/175127363.db2.gz ZXOIDKOYNOQZJX-CVEARBPZSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](CC)CCOC)c1 ZINC000043968723 175129727 /nfs/dbraw/zinc/12/97/27/175129727.db2.gz QKJRJIXFQGLZCQ-AWEZNQCLSA-N 2 0 294.439 2.834 10 0 CFAERP C[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)c1ccccc1C ZINC000043970616 175131840 /nfs/dbraw/zinc/13/18/40/175131840.db2.gz BISDVWKBBMQAFC-GOSISDBHSA-N 2 0 289.467 2.529 10 0 CFAERP CC[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000043970667 175131896 /nfs/dbraw/zinc/13/18/96/175131896.db2.gz KVDNPYLZRQKDLF-SFHVURJKSA-N 2 0 289.467 2.611 10 0 CFAERP CC[C@@H](C)[N@H+](CCOC)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043973086 175132422 /nfs/dbraw/zinc/13/24/22/175132422.db2.gz ODBGWAMRJHQIPV-QLFBSQMISA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+][C@H](C)CC[N@@H+]1CCC[C@H](OCCC)C1 ZINC000043971321 175132535 /nfs/dbraw/zinc/13/25/35/175132535.db2.gz UERUXACJVLUOGK-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+][C@H](CC)[C@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000043978513 175133298 /nfs/dbraw/zinc/13/32/98/175133298.db2.gz IJQLPJBUXFENIR-GOEBONIOSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977471 175133529 /nfs/dbraw/zinc/13/35/29/175133529.db2.gz RUGBGVFORSTBTC-CWRNSKLLSA-N 2 0 270.461 2.900 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043978049 175133678 /nfs/dbraw/zinc/13/36/78/175133678.db2.gz HIUABSJXGUSSIG-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@H](CC)[C@@H](C)[N@H+](CCOC)C(CC)CC ZINC000043977121 175133778 /nfs/dbraw/zinc/13/37/78/175133778.db2.gz ILUVESSRXWOZOI-UKRRQHHQSA-N 2 0 258.450 2.900 10 0 CFAERP CCC[NH2+][C@@H](CC)[C@@H](C)N(CC[NH+](C)C)CC(C)C ZINC000043982357 175133973 /nfs/dbraw/zinc/13/39/73/175133973.db2.gz QTUUFYWNYRGZAO-CVEARBPZSA-N 2 0 271.493 2.673 10 0 CFAERP CC[N@H+](Cc1cc([C@H](C)[NH2+]C)ccc1OC)[C@@H](C)COC ZINC000043981225 175134135 /nfs/dbraw/zinc/13/41/35/175134135.db2.gz WLMQCYWYYIEWMB-KBPBESRZSA-N 2 0 294.439 2.832 10 0 CFAERP CC[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000044169840 175148377 /nfs/dbraw/zinc/14/83/77/175148377.db2.gz ZGGAGQVFCSNBPE-ROUUACIJSA-N 2 0 290.451 2.772 10 0 CFAERP CCC[NH+]1CCN([C@H](c2cccc(C)c2)[C@H]([NH3+])CC)CC1 ZINC000044418421 175173258 /nfs/dbraw/zinc/17/32/58/175173258.db2.gz RAXDCFINSCKIIH-QZTJIDSGSA-N 2 0 289.467 2.801 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2ccccc2F)[C@H]([NH3+])CC)CC1 ZINC000044418466 175173306 /nfs/dbraw/zinc/17/33/06/175173306.db2.gz KTECKOSBPMIULR-SJORKVTESA-N 2 0 293.430 2.632 10 0 CFAERP CCC[NH+]1CCN([C@H](c2ccsc2)[C@@H]([NH3+])CC)CC1 ZINC000044418511 175173454 /nfs/dbraw/zinc/17/34/54/175173454.db2.gz PJRWQLCXQQBQSS-LSDHHAIUSA-N 2 0 281.469 2.554 10 0 CFAERP C[C@@H](c1ccc2c(c1)OCCCO2)[NH+]1CCC(C[NH3+])CC1 ZINC000044512057 175188163 /nfs/dbraw/zinc/18/81/63/175188163.db2.gz NQGAGIZDBCEFET-ZDUSSCGKSA-N 2 0 290.407 2.580 10 0 CFAERP [NH3+]CC1CC[NH+]([C@H]2CCSc3ccccc32)CC1 ZINC000044512041 175188172 /nfs/dbraw/zinc/18/81/72/175188172.db2.gz FEUAPBHKUQPYHO-AWEZNQCLSA-N 2 0 262.422 2.894 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000044517688 175190650 /nfs/dbraw/zinc/19/06/50/175190650.db2.gz OLVBZQVCPRAEES-INIZCTEOSA-N 3 0 295.515 2.818 10 0 CFAERP Cc1ccc(SCC[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044529375 175194501 /nfs/dbraw/zinc/19/45/01/175194501.db2.gz MFQJYNYVYWRYOL-CQSZACIVSA-N 2 0 264.438 2.758 10 0 CFAERP COc1ccccc1C1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000044533467 175197757 /nfs/dbraw/zinc/19/77/57/175197757.db2.gz QYSXWKPRYDGSPL-QQFBHYJXSA-N 2 0 288.435 2.873 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000044561422 175204848 /nfs/dbraw/zinc/20/48/48/175204848.db2.gz BTDSCFZGUUXLNJ-ZACQAIPSSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000044561424 175204990 /nfs/dbraw/zinc/20/49/90/175204990.db2.gz BIFWVTZINFCUOP-RDJZCZTQSA-N 2 0 281.488 2.571 10 0 CFAERP C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000044674987 175226882 /nfs/dbraw/zinc/22/68/82/175226882.db2.gz LXUZNJFNPLJZEV-KBRIMQKVSA-N 2 0 258.409 2.862 10 0 CFAERP [NH3+][C@@H]1CCCc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000044732362 175240817 /nfs/dbraw/zinc/24/08/17/175240817.db2.gz QTVRDVJFBMIUPW-QGZVFWFLSA-N 2 0 274.408 2.887 10 0 CFAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747569 175243047 /nfs/dbraw/zinc/24/30/47/175243047.db2.gz ZCUYKNZDTHHESG-MLGOLLRUSA-N 2 0 262.397 2.699 10 0 CFAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000044806449 175256444 /nfs/dbraw/zinc/25/64/44/175256444.db2.gz WHOJWMKTVDLSGH-HNNXBMFYSA-N 2 0 299.503 2.624 10 0 CFAERP C[N@H+](CCOc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068188 175300220 /nfs/dbraw/zinc/30/02/20/175300220.db2.gz FKYBVBOUHGEHOK-UHFFFAOYSA-N 2 0 250.386 2.502 10 0 CFAERP c1cc(C[NH+]2CCCCC2)c(C[NH2+]C2CC2)s1 ZINC000045205680 175327596 /nfs/dbraw/zinc/32/75/96/175327596.db2.gz TWYPVUVIDVTPEJ-UHFFFAOYSA-N 2 0 250.411 2.986 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@](C)([NH3+])C(=O)OC ZINC000045380600 175369483 /nfs/dbraw/zinc/36/94/83/175369483.db2.gz QUXAVLFRFMJDEC-HNNXBMFYSA-N 2 0 272.433 2.559 10 0 CFAERP [NH3+][C@H](c1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000071616042 176235135 /nfs/dbraw/zinc/23/51/35/176235135.db2.gz DMNQOFWYONZGDP-JTQLQIEISA-N 2 0 275.215 2.510 10 0 CFAERP CC1(C)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000076697552 177061118 /nfs/dbraw/zinc/06/11/18/177061118.db2.gz IIYDMQNCWMPTCT-CVEARBPZSA-N 2 0 258.409 2.897 10 0 CFAERP CCC[C@H](CC[NH3+])CCC[NH2+]CC[C@@H]1CCCO1 ZINC000079244519 177455443 /nfs/dbraw/zinc/45/54/43/177455443.db2.gz ZAPVRJYXTINXHE-GJZGRUSLSA-N 2 0 256.434 2.690 10 0 CFAERP CC1(C)C[N@H+](C[C@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261569206 278335749 /nfs/dbraw/zinc/33/57/49/278335749.db2.gz JPUZFWSHDVLHNY-RYUDHWBXSA-N 2 0 260.372 2.871 10 0 CFAERP C[C@H]([NH2+][C@H]1CCCc2sccc21)[C@H]1CC[NH2+]C1 ZINC000400406219 279540460 /nfs/dbraw/zinc/54/04/60/279540460.db2.gz RUKHCRDJRYDHPB-GVXVVHGQSA-N 2 0 250.411 2.713 10 0 CFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3cnccn3)C2)[nH+]1 ZINC000248624701 281245842 /nfs/dbraw/zinc/24/58/42/281245842.db2.gz OSVDPFJKBMGDSR-CABCVRRESA-N 2 0 297.406 2.675 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000562958667 290085712 /nfs/dbraw/zinc/08/57/12/290085712.db2.gz JYKQZSIASLYDDR-TZMCWYRMSA-N 2 0 266.816 2.860 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC)CCC)CCOCC1 ZINC000052181207 519910327 /nfs/dbraw/zinc/91/03/27/519910327.db2.gz ZRXRERUIHBHNGQ-UHFFFAOYSA-N 2 0 256.434 2.515 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C(C)(C)CC)O1 ZINC000069448475 519935655 /nfs/dbraw/zinc/93/56/55/519935655.db2.gz QJRQVBCXCJGVCE-KGLIPLIRSA-N 2 0 256.434 2.654 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000052444157 519999407 /nfs/dbraw/zinc/99/94/07/519999407.db2.gz UWAWIFPTAYVGIL-AWEZNQCLSA-N 2 0 264.413 2.905 10 0 CFAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000062740996 520516541 /nfs/dbraw/zinc/51/65/41/520516541.db2.gz AOWIJLNXERDABD-AWEZNQCLSA-N 2 0 270.804 2.526 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052544084 521567540 /nfs/dbraw/zinc/56/75/40/521567540.db2.gz OCGGEJGUSJJAEI-CQSZACIVSA-N 2 0 269.477 2.569 10 0 CFAERP CC(C)(C)C1CC[NH+](Cc2ccc(C[NH3+])o2)CC1 ZINC000052373608 518606612 /nfs/dbraw/zinc/60/66/12/518606612.db2.gz PDRYTCWKQLUGTD-UHFFFAOYSA-N 2 0 250.386 2.996 10 0 CFAERP CC(C)(C)[NH2+]CCCCC[N@@H+]1CCOC(C)(C)C1 ZINC000052481871 518756006 /nfs/dbraw/zinc/75/60/06/518756006.db2.gz BCKZKEFDVBAACW-UHFFFAOYSA-N 2 0 256.434 2.656 10 0 CFAERP CC(C)[NH2+]CC1(C[N@@H+]2CCCC[C@H]2C)CCOCC1 ZINC000052180695 519719707 /nfs/dbraw/zinc/71/97/07/519719707.db2.gz OOUVUWJREXHRCQ-OAHLLOKOSA-N 2 0 268.445 2.656 10 0 CFAERP CC(C)[NH2+]Cc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000052484493 519727125 /nfs/dbraw/zinc/72/71/25/519727125.db2.gz YLQYERUEHKHLFT-HNNXBMFYSA-N 2 0 276.424 2.905 10 0 CFAERP CC(C)[NH2+]Cc1occc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453281 519730131 /nfs/dbraw/zinc/73/01/31/519730131.db2.gz PTWDGTJWFUWACT-CYBMUJFWSA-N 2 0 268.426 2.715 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456384 519745387 /nfs/dbraw/zinc/74/53/87/519745387.db2.gz RDIYPSSFKQKOMS-LSDHHAIUSA-N 2 0 296.480 2.973 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000049197583 519847602 /nfs/dbraw/zinc/84/76/02/519847602.db2.gz POQDELDQSMSMGQ-RDJZCZTQSA-N 2 0 283.504 2.673 10 0 CFAERP CCCC1CC[NH+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000050905792 519901075 /nfs/dbraw/zinc/90/10/75/519901075.db2.gz YLYGJWFTKPUYIB-KRWDZBQOSA-N 2 0 297.487 2.521 10 0 CFAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374734 519920236 /nfs/dbraw/zinc/92/02/36/519920236.db2.gz ZBUIBOFWJIMQIH-OAHLLOKOSA-N 2 0 293.430 2.726 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374513 519923695 /nfs/dbraw/zinc/92/36/95/519923695.db2.gz JUHYVKXMYCZHGA-IRXDYDNUSA-N 2 0 274.408 2.549 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374509 519926198 /nfs/dbraw/zinc/92/61/98/519926198.db2.gz JUHYVKXMYCZHGA-DLBZAZTESA-N 2 0 274.408 2.549 10 0 CFAERP CCC[NH2+]Cc1cc(C[N@H+](C)C[C@@H](C)CC)on1 ZINC000052454088 519944304 /nfs/dbraw/zinc/94/43/04/519944304.db2.gz BXCQRKUIWKAUEN-LBPRGKRZSA-N 2 0 253.390 2.652 10 0 CFAERP CCC[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000052380769 519949668 /nfs/dbraw/zinc/94/96/68/519949668.db2.gz CZTNKDFJDWORFM-GASCZTMLSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000052476661 519951057 /nfs/dbraw/zinc/95/10/57/519951057.db2.gz COXZDSLGDSIZTL-GJZGRUSLSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476746 519957227 /nfs/dbraw/zinc/95/72/27/519957227.db2.gz RYOYMCHHRMBBQO-LSDHHAIUSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1C ZINC000052330469 519973863 /nfs/dbraw/zinc/97/38/63/519973863.db2.gz CGECTYZUZFAIAF-UHFFFAOYSA-N 2 0 269.458 2.835 10 0 CFAERP CC[NH2+]Cc1cc(C[NH+]2CCC(C)CC2)c(C)o1 ZINC000052377175 519988318 /nfs/dbraw/zinc/98/83/18/519988318.db2.gz TYNMBXPDAZJLEP-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)C2)oc1C ZINC000052381241 519988399 /nfs/dbraw/zinc/98/83/99/519988399.db2.gz ZPPWJJKYCTYBGI-LBPRGKRZSA-N 2 0 250.386 2.929 10 0 CFAERP CC[NH2+]Cc1cccc(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000052453128 520004695 /nfs/dbraw/zinc/00/46/95/520004695.db2.gz XOIYTSKPGRAMRD-HNNXBMFYSA-N 2 0 264.438 2.733 10 0 CFAERP CC[NH2+][C@@H](C)CCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065115 520072639 /nfs/dbraw/zinc/07/26/39/520072639.db2.gz XGYIKMDZDIQRGT-JKSUJKDBSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@H]1CCc2c1cccc2OCC[NH+](C)C ZINC000062800053 520097426 /nfs/dbraw/zinc/09/74/26/520097426.db2.gz YPMHJBOALKFWNX-HNNXBMFYSA-N 2 0 262.397 2.614 10 0 CFAERP CCCO[C@@H]1CCC[N@@H+]([C@@H](C)CC[NH2+]CC(C)C)C1 ZINC000052371685 520273474 /nfs/dbraw/zinc/27/34/74/520273474.db2.gz UNXHDXWVMTWLBO-JKSUJKDBSA-N 2 0 270.461 2.902 10 0 CFAERP CC[NH+](CC)[C@H](CNc1[nH+]ccn1C)c1ccccc1 ZINC000050605645 520868162 /nfs/dbraw/zinc/86/81/62/520868162.db2.gz DYDHCPAUQHHFLU-OAHLLOKOSA-N 2 0 272.396 2.915 10 0 CFAERP CC1CCC([N@H+](C)C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000048970030 520934301 /nfs/dbraw/zinc/93/43/01/520934301.db2.gz XIHNGJSYXHZEGY-IMRCBTMISA-N 2 0 276.424 2.689 10 0 CFAERP CC[N@H+](CCCC[NH2+]CC(C)C)C[C@H]1CCCO1 ZINC000052510544 521004876 /nfs/dbraw/zinc/00/48/76/521004876.db2.gz IDVBHTPWCTTZDO-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP CCCC[C@](CC)(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000069380343 521252868 /nfs/dbraw/zinc/25/28/68/521252868.db2.gz KJGLVKVNJFMKGC-MRXNPFEDSA-N 2 0 269.477 2.558 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000069380865 521254812 /nfs/dbraw/zinc/25/48/12/521254812.db2.gz WFUICEMQGPZNQG-JKSUJKDBSA-N 2 0 269.477 2.700 10 0 CFAERP CCC[C@](C)(C[NH2+]C)C[NH+]1CCC(OCC)CC1 ZINC000051249824 521266404 /nfs/dbraw/zinc/26/64/04/521266404.db2.gz GWWCFXHAALSEJQ-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP CCCn1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157471051 521656671 /nfs/dbraw/zinc/65/66/71/521656671.db2.gz LESLPEDGBFOWRF-HZPDHXFCSA-N 2 0 261.413 2.615 10 0 CFAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052422473 521688004 /nfs/dbraw/zinc/68/80/04/521688004.db2.gz VSCWZMUWJSWGAU-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052422542 521689163 /nfs/dbraw/zinc/68/91/63/521689163.db2.gz AIKVIRWVBWOYQF-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1cccs1 ZINC000054601510 521954801 /nfs/dbraw/zinc/95/48/01/521954801.db2.gz XYPNTILGDATBTH-AGUYFDCRSA-N 2 0 264.438 2.896 10 0 CFAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443405 522000726 /nfs/dbraw/zinc/00/07/26/522000726.db2.gz JQBVMBGQZBNDCC-AWEZNQCLSA-N 2 0 295.858 2.850 10 0 CFAERP C[NH2+]Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000052378809 522133866 /nfs/dbraw/zinc/13/38/66/522133866.db2.gz UHULWHDGXSWZDH-AWEZNQCLSA-N 2 0 262.397 2.659 10 0 CFAERP C[NH2+]Cc1cccc(OCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000052378808 522134823 /nfs/dbraw/zinc/13/48/23/522134823.db2.gz UHULWHDGXSWZDH-CQSZACIVSA-N 2 0 262.397 2.659 10 0 CFAERP C[NH2+]Cc1oc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000052420955 522159732 /nfs/dbraw/zinc/15/97/32/522159732.db2.gz CXXQXVFNVORKDN-RYUDHWBXSA-N 2 0 250.386 2.785 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OCCC[NH+](C)C)c(Cl)c1 ZINC000061699606 522448555 /nfs/dbraw/zinc/44/85/55/522448555.db2.gz QIPOGFJVDYQYRJ-LLVKDONJSA-N 2 0 270.804 2.951 10 0 CFAERP COC1CC[NH+](Cc2cc(C[NH2+]C(C)(C)C)co2)CC1 ZINC000052455332 522705639 /nfs/dbraw/zinc/70/56/39/522705639.db2.gz XCGJTSVMDPPTBY-UHFFFAOYSA-N 2 0 280.412 2.779 10 0 CFAERP C[N@H+](CCC[NH2+]CC1CCOCC1)Cc1ccccc1 ZINC000052171823 522773119 /nfs/dbraw/zinc/77/31/19/522773119.db2.gz ZFAZJMGVYGNTOX-UHFFFAOYSA-N 2 0 276.424 2.525 10 0 CFAERP CC[C@H]1CCCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181296 523019512 /nfs/dbraw/zinc/01/95/12/523019512.db2.gz VEXWTMLIMGGLMH-INIZCTEOSA-N 2 0 280.456 2.800 10 0 CFAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCCCC[NH2+]CC(C)C ZINC000052571159 523506108 /nfs/dbraw/zinc/50/61/08/523506108.db2.gz YRRWJCYLAONMKR-JKSUJKDBSA-N 2 0 270.461 2.902 10 0 CFAERP CC[C@H](C)[N@H+](CCCC[NH2+]C(C)(C)C)CCOC ZINC000052547196 523935193 /nfs/dbraw/zinc/93/51/93/523935193.db2.gz VECBJPUEZACCQL-AWEZNQCLSA-N 2 0 258.450 2.902 10 0 CFAERP COc1ccc(C[NH3+])cc1C[NH+]1CCC(C)(C)CC1 ZINC000061819453 524017093 /nfs/dbraw/zinc/01/70/93/524017093.db2.gz VOCRDMZQDMWUNV-UHFFFAOYSA-N 2 0 262.397 2.776 10 0 CFAERP C[C@H](CCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000052419146 524143083 /nfs/dbraw/zinc/14/30/83/524143083.db2.gz MMOFMBRHQHHECV-CQSZACIVSA-N 2 0 258.409 2.965 10 0 CFAERP Cc1ccc(C)c(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231668970 524177937 /nfs/dbraw/zinc/17/79/37/524177937.db2.gz WMUJUJJOTXGKTO-MRXNPFEDSA-N 2 0 276.424 2.756 10 0 CFAERP C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000049009695 524389515 /nfs/dbraw/zinc/38/95/15/524389515.db2.gz CBFXQGRZUDBVCE-HIFRSBDPSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccc(CC[NH3+])cc1 ZINC000050563603 525640455 /nfs/dbraw/zinc/64/04/55/525640455.db2.gz PCBVITIMLIIBLN-LSDHHAIUSA-N 2 0 276.424 2.687 10 0 CFAERP COc1cccc(C2CC([NH2+][C@H](C)CC[NH+](C)C)C2)c1 ZINC000049553941 525860240 /nfs/dbraw/zinc/86/02/40/525860240.db2.gz WWJDXRYCSBOMNY-IUDNXUCKSA-N 2 0 276.424 2.871 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]2)s1 ZINC000049538764 526753315 /nfs/dbraw/zinc/75/33/15/526753315.db2.gz AQJCSEFBHLKNLP-CABZTGNLSA-N 2 0 253.415 2.553 10 0 CFAERP Cc1nccn1CC[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049329591 527424474 /nfs/dbraw/zinc/42/44/74/527424474.db2.gz MCKOJIPYFUBPBB-UHFFFAOYSA-N 2 0 278.444 2.565 10 0 CFAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000261721449 618375465 /nfs/dbraw/zinc/37/54/65/618375465.db2.gz QFHBZQKOLMVNOB-JQFCIGGWSA-N 2 0 281.403 2.712 10 0 CFAERP CCCCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000157960422 623084854 /nfs/dbraw/zinc/08/48/54/623084854.db2.gz AWMOMCSQTHSTLP-HNNXBMFYSA-N 2 0 270.461 2.591 10 0 CFAERP c1ccc(C[N@@H+]2C[C@@]34C[NH2+]C[C@]3(C2)CCCC4)cc1 ZINC000757068375 630860274 /nfs/dbraw/zinc/86/02/74/630860274.db2.gz KJMBUOZESIYYAR-CALCHBBNSA-N 2 0 256.393 2.652 10 0 CFAERP Cc1cccc2c(N[C@@H](C)C[NH+]3CCN(C)CC3)cc[nH+]c12 ZINC000125082975 187168880 /nfs/dbraw/zinc/16/88/80/187168880.db2.gz JZLHHLKNYWBFNK-HNNXBMFYSA-N 2 0 298.434 2.591 10 0 CFAERP C[NH+](C)[C@H]1CCO[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096110900 185101006 /nfs/dbraw/zinc/10/10/06/185101006.db2.gz UPTTTXSREJYWAB-DLBZAZTESA-N 2 0 292.398 2.511 10 0 CFAERP CCn1nccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000128275075 187361141 /nfs/dbraw/zinc/36/11/41/187361141.db2.gz BJLXNTIMUBIPSF-OAHLLOKOSA-N 2 0 299.422 2.540 10 0 CFAERP CC(C)[NH2+][C@@](C)(CO)CCC[NH+]1CCC(C)(C)CC1 ZINC000085212589 178975605 /nfs/dbraw/zinc/97/56/05/178975605.db2.gz WMGGCFJJFOOJSF-MRXNPFEDSA-N 2 0 270.461 2.638 10 0 CFAERP [NH3+]C[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000150029401 347954568 /nfs/dbraw/zinc/95/45/68/347954568.db2.gz ZGHAWIXJFKZUPF-SFHVURJKSA-N 2 0 266.388 2.789 10 0 CFAERP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818499 179347727 /nfs/dbraw/zinc/34/77/27/179347727.db2.gz KZFLBZPDAGMQKD-GOEBONIOSA-N 2 0 276.424 2.787 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086818843 179347929 /nfs/dbraw/zinc/34/79/29/179347929.db2.gz ISCGWZFNQUXEEV-DZGCQCFKSA-N 2 0 292.423 2.839 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)s1 ZINC000086818860 179348787 /nfs/dbraw/zinc/34/87/87/179348787.db2.gz ZPWQWTUYAFVUBQ-WCQYABFASA-N 2 0 267.442 2.895 10 0 CFAERP CCOCc1ccccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818622 179346666 /nfs/dbraw/zinc/34/66/66/179346666.db2.gz CVKJTHOGLARRJZ-KRWDZBQOSA-N 2 0 276.424 2.797 10 0 CFAERP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818724 179346788 /nfs/dbraw/zinc/34/67/88/179346788.db2.gz NVKGHPNIJMKZNI-GDBMZVCRSA-N 2 0 276.424 2.700 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000086846999 179356392 /nfs/dbraw/zinc/35/63/92/179356392.db2.gz LLQJEMQZSAVNJO-INIZCTEOSA-N 2 0 295.496 2.772 10 0 CFAERP CC[N@@H+]1CCC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086836614 179351179 /nfs/dbraw/zinc/35/11/79/179351179.db2.gz YVRHZYJDVQIPGS-AWEZNQCLSA-N 2 0 281.488 2.760 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000086851243 179359715 /nfs/dbraw/zinc/35/97/15/179359715.db2.gz UPUCTRBPIBLOLN-QGZVFWFLSA-N 3 0 281.488 2.572 10 0 CFAERP C[C@@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)CC[NH2+]C[C@@H]2C ZINC000306493119 348388194 /nfs/dbraw/zinc/38/81/94/348388194.db2.gz YRPTZCWYPIRPQQ-UXLLHSPISA-N 2 0 258.409 2.897 10 0 CFAERP CCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862886 186081243 /nfs/dbraw/zinc/08/12/43/186081243.db2.gz YUHMUWZNRNHXTI-GOSISDBHSA-N 2 0 290.451 2.774 10 0 CFAERP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842267 355604108 /nfs/dbraw/zinc/60/41/08/355604108.db2.gz XWNNZTTVLCJZFI-HIFRSBDPSA-N 2 0 262.397 2.500 10 0 CFAERP Cc1ccc2[nH+]ccc(NC[C@H]3CCC[NH2+]C3)c2c1 ZINC000073738643 374376756 /nfs/dbraw/zinc/37/67/56/374376756.db2.gz LYBHTWNQSOIAPS-ZDUSSCGKSA-N 2 0 255.365 2.955 10 0 CFAERP C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000120452183 376616729 /nfs/dbraw/zinc/61/67/29/376616729.db2.gz QIZCVWWEWRRGDX-HEHGZKQESA-N 2 0 262.397 2.686 10 0 CFAERP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130158294 377517151 /nfs/dbraw/zinc/51/71/51/377517151.db2.gz KIVWWUVGGLYXMP-UXLLHSPISA-N 2 0 256.393 2.890 10 0 CFAERP CC[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)[C@H]1CCOC1 ZINC000163852922 378993142 /nfs/dbraw/zinc/99/31/42/378993142.db2.gz INPSIMWYUCRZHN-ULQDDVLXSA-N 2 0 276.424 2.694 10 0 CFAERP CCc1nccn1[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172163289 379507321 /nfs/dbraw/zinc/50/73/21/379507321.db2.gz VHDOITPRPGADPH-INIZCTEOSA-N 2 0 284.407 2.720 10 0 CFAERP CCO[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C12CCCC2 ZINC000178974834 380497900 /nfs/dbraw/zinc/49/79/00/380497900.db2.gz UYJMARFUNRXXPG-CVEARBPZSA-N 2 0 280.456 2.656 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400736964 380864687 /nfs/dbraw/zinc/86/46/87/380864687.db2.gz RXCFLXHIOADOMB-IHRRRGAJSA-N 2 0 262.397 2.652 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400736961 380864896 /nfs/dbraw/zinc/86/48/96/380864896.db2.gz RXCFLXHIOADOMB-HZSPNIEDSA-N 2 0 262.397 2.652 10 0 CFAERP C[C@@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400437291 380858417 /nfs/dbraw/zinc/85/84/17/380858417.db2.gz NATLLYZOPXOELK-WZRBSPASSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@H]([NH2+]CCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400398926 380858447 /nfs/dbraw/zinc/85/84/47/380858447.db2.gz PWJJXBRXCZWDSE-AAEUAGOBSA-N 2 0 297.240 2.579 10 0 CFAERP C[C@@H]([NH2+]CCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400398928 380859305 /nfs/dbraw/zinc/85/93/05/380859305.db2.gz PWJJXBRXCZWDSE-DGCLKSJQSA-N 2 0 297.240 2.579 10 0 CFAERP CC[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)CC(F)(F)F ZINC000402633027 380889036 /nfs/dbraw/zinc/88/90/36/380889036.db2.gz YTBMPCMCVMBUCX-MNOVXSKESA-N 2 0 252.324 2.697 10 0 CFAERP CC(C)c1nc([C@@H]2CCCN2CCCn2ccnc2)no1 ZINC000183170238 381224488 /nfs/dbraw/zinc/22/44/88/381224488.db2.gz JQZMJGIZTURTDI-ZDUSSCGKSA-N 2 0 289.383 2.617 10 0 CFAERP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)ccc1F ZINC000188407100 382408049 /nfs/dbraw/zinc/40/80/49/382408049.db2.gz AYBNOGYRRMWTCY-HNNXBMFYSA-N 2 0 273.355 2.995 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCOc3ccc(Cl)cc3)C[C@H]12 ZINC000380768427 382516467 /nfs/dbraw/zinc/51/64/67/382516467.db2.gz RDSDYFNRWQGTFM-UHOFOFEASA-N 2 0 294.826 2.778 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000380768425 382516538 /nfs/dbraw/zinc/51/65/38/382516538.db2.gz RDSDYFNRWQGTFM-APHBMKBZSA-N 2 0 294.826 2.778 10 0 CFAERP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358411484 382604072 /nfs/dbraw/zinc/60/40/72/382604072.db2.gz YXMIJELNJQHKRV-SUNKGSAMSA-N 2 0 252.789 2.941 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000389910722 382617346 /nfs/dbraw/zinc/61/73/46/382617346.db2.gz JNMNITVUOLLLHG-WBVHZDCISA-N 2 0 276.424 2.714 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000575439457 382771385 /nfs/dbraw/zinc/77/13/85/382771385.db2.gz MKNOKEHQFSBGNC-LLVKDONJSA-N 2 0 275.165 2.717 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000575439192 382771401 /nfs/dbraw/zinc/77/14/01/382771401.db2.gz XLANGXKESIDEGE-LLVKDONJSA-N 2 0 257.175 2.578 10 0 CFAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(Cl)cc1Br ZINC000575439441 382771414 /nfs/dbraw/zinc/77/14/14/382771414.db2.gz LLXVAEXDBYJAMR-SNVBAGLBSA-N 2 0 277.593 2.841 10 0 CFAERP Cc1ccc([C@@H]([NH3+])CCCC[NH3+])c(Br)c1 ZINC000575439546 382771475 /nfs/dbraw/zinc/77/14/75/382771475.db2.gz GPACVQYOZFKALE-LBPRGKRZSA-N 2 0 271.202 2.886 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000575438841 382771483 /nfs/dbraw/zinc/77/14/83/382771483.db2.gz CKEBGVCZAZGGBY-LLVKDONJSA-N 2 0 275.165 2.717 10 0 CFAERP Cc1ccc(Br)cc1[C@H]([NH3+])CCCC[NH3+] ZINC000575439411 382771495 /nfs/dbraw/zinc/77/14/95/382771495.db2.gz JKNUTPSVLQGFSS-GFCCVEGCSA-N 2 0 271.202 2.886 10 0 CFAERP [NH3+]CCC[C@H]([NH3+])c1ccc(Br)cc1Cl ZINC000575440048 382771823 /nfs/dbraw/zinc/77/18/23/382771823.db2.gz HZVMIMLOUBOXET-JTQLQIEISA-N 2 0 277.593 2.841 10 0 CFAERP CN(Cc1cc(Cl)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000231456746 382865016 /nfs/dbraw/zinc/86/50/16/382865016.db2.gz AEEUQEQKGFNDDD-HNNXBMFYSA-N 2 0 294.826 2.849 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422807683 382980859 /nfs/dbraw/zinc/98/08/59/382980859.db2.gz PBEYVLDLRRLGDD-VHSXEESVSA-N 2 0 283.213 2.708 10 0 CFAERP Cc1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998833 383454474 /nfs/dbraw/zinc/45/44/74/383454474.db2.gz LOXUEKNRVGXXEP-WCQYABFASA-N 2 0 258.365 2.768 10 0 CFAERP C[C@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000261539082 383508343 /nfs/dbraw/zinc/50/83/43/383508343.db2.gz BMPKSIQQRTZZEJ-KUQKPQIMSA-N 2 0 287.451 2.509 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]12 ZINC000261626800 383532165 /nfs/dbraw/zinc/53/21/65/383532165.db2.gz HEPGMECZZOOKPN-VNQPRFMTSA-N 2 0 283.375 2.511 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc4cccnc43)C[C@H]12 ZINC000261690739 383543508 /nfs/dbraw/zinc/54/35/08/383543508.db2.gz NHZNZTDOLIJRLR-UHOFOFEASA-N 2 0 285.366 2.543 10 0 CFAERP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1C ZINC000261988689 383590876 /nfs/dbraw/zinc/59/08/76/383590876.db2.gz SDRGNNMRUAVHSG-HNNXBMFYSA-N 2 0 262.397 2.578 10 0 CFAERP CC(C)COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000262017598 383594924 /nfs/dbraw/zinc/59/49/24/383594924.db2.gz MWCBEDUNNMBMMA-CJNGLKHVSA-N 2 0 262.397 2.500 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(-c4cccs4)on3)C[C@@H]12 ZINC000261756423 383553996 /nfs/dbraw/zinc/55/39/96/383553996.db2.gz NIMHPIIOZJTPGB-RAIGVLPGSA-N 2 0 289.404 2.572 10 0 CFAERP CC(C)OC1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000643475693 384654332 /nfs/dbraw/zinc/65/43/32/384654332.db2.gz BKCOWHRZWRJLLR-UHFFFAOYSA-N 2 0 254.418 2.582 10 0 CFAERP CC(C)OC1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000643475836 384654347 /nfs/dbraw/zinc/65/43/47/384654347.db2.gz PUQLKDXXXMECMY-FXQLRMTLSA-N 2 0 268.445 2.700 10 0 CFAERP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000124811400 285314842 /nfs/dbraw/zinc/31/48/42/285314842.db2.gz MMFWWHUMVPFRNL-OKZBNKHCSA-N 2 0 294.483 2.878 10 0 CFAERP Cc1cc(N2CCC(C[NH3+])CC2)c2ccccc2[nH+]1 ZINC000044514686 393564885 /nfs/dbraw/zinc/56/48/85/393564885.db2.gz DDNJIIBFWHZAMK-UHFFFAOYSA-N 2 0 255.365 2.718 10 0 CFAERP [NH3+]CCC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381695028 393565994 /nfs/dbraw/zinc/56/59/94/393565994.db2.gz OAASMGVSTQPMMH-CYBMUJFWSA-N 2 0 260.372 2.873 10 0 CFAERP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)c1C ZINC000045171404 393570174 /nfs/dbraw/zinc/57/01/74/393570174.db2.gz ZOXGKNXTKBCFBQ-SWLSCSKDSA-N 2 0 278.444 2.512 10 0 CFAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400437283 393600821 /nfs/dbraw/zinc/60/08/21/393600821.db2.gz NATLLYZOPXOELK-GVXVVHGQSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@H]([NH2+][C@H]1CCSc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400395364 393601415 /nfs/dbraw/zinc/60/14/15/393601415.db2.gz JHOACQRSLRFAKI-SCRDCRAPSA-N 2 0 262.422 2.811 10 0 CFAERP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCCF)C1 ZINC000195249430 393735707 /nfs/dbraw/zinc/73/57/07/393735707.db2.gz HWPWCSHWGYZVTI-CYBMUJFWSA-N 2 0 285.432 2.565 10 0 CFAERP CC(C)C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105861588 393864376 /nfs/dbraw/zinc/86/43/76/393864376.db2.gz ZTBIRJPFBUNRBG-GOSISDBHSA-N 2 0 290.451 2.678 10 0 CFAERP CC(C)C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105861585 393864646 /nfs/dbraw/zinc/86/46/46/393864646.db2.gz ZTBIRJPFBUNRBG-SFHVURJKSA-N 2 0 290.451 2.678 10 0 CFAERP CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000245958043 393841491 /nfs/dbraw/zinc/84/14/91/393841491.db2.gz XQACSMCCTPLIMX-VQHPVUNQSA-N 2 0 294.483 2.900 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000086846467 135048562 /nfs/dbraw/zinc/04/85/62/135048562.db2.gz AKQNJCNTGYUEOU-SFHVURJKSA-N 2 0 287.451 2.643 10 0 CFAERP CC1(C)CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000657326333 413450893 /nfs/dbraw/zinc/45/08/93/413450893.db2.gz PCTFHGDALDVWFJ-CVEARBPZSA-N 2 0 282.472 2.782 10 0 CFAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccc(O)cc1 ZINC000020128547 171015238 /nfs/dbraw/zinc/01/52/38/171015238.db2.gz JPADTNOHAPOWIC-UHFFFAOYSA-N 2 0 270.376 2.744 10 0 CFAERP C[C@H]1CCC[N@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022151718 171359190 /nfs/dbraw/zinc/35/91/90/171359190.db2.gz ITFMOLQZMILQMF-AWEZNQCLSA-N 2 0 289.423 2.596 10 0 CFAERP CCC[NH+](CCC)CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022153248 171360320 /nfs/dbraw/zinc/36/03/20/171360320.db2.gz XEVDPTAAPLWWLG-UHFFFAOYSA-N 2 0 277.412 2.596 10 0 CFAERP C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccccc1C[NH3+] ZINC000022155364 171361880 /nfs/dbraw/zinc/36/18/80/171361880.db2.gz AANVMEJQNPZUFS-CQSZACIVSA-N 2 0 289.423 2.738 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000035151101 172014348 /nfs/dbraw/zinc/01/43/48/172014348.db2.gz DICNHUMUPPORJP-LSDHHAIUSA-N 2 0 256.434 2.656 10 0 CFAERP Cc1ccc(C[N@@H+](C)[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])o1 ZINC000035699113 172366348 /nfs/dbraw/zinc/36/63/48/172366348.db2.gz HDCUXJHGWYBHAF-UXIGCNINSA-N 2 0 250.386 2.783 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]Cc2ccco2)CC1 ZINC000037208429 173030318 /nfs/dbraw/zinc/03/03/18/173030318.db2.gz FCSPOEWIVWBYMA-ZDUSSCGKSA-N 2 0 250.386 2.880 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]CCCOC(C)C)CC1 ZINC000037221630 173042592 /nfs/dbraw/zinc/04/25/92/173042592.db2.gz CNOJVYZZBLLOJH-AWEZNQCLSA-N 2 0 256.434 2.512 10 0 CFAERP COc1cccc(N(CCC[NH3+])c2cc[nH+]cc2)c1 ZINC000037298313 173102759 /nfs/dbraw/zinc/10/27/59/173102759.db2.gz HWHOOQYPNGMPOJ-UHFFFAOYSA-N 2 0 257.337 2.577 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000662271428 414486485 /nfs/dbraw/zinc/48/64/85/414486485.db2.gz GAFFZQDLVFUJGH-DEORAPPZSA-N 2 0 270.420 2.707 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](CC2CC=CC2)C[C@H]1c1ccccc1 ZINC000662272168 414489045 /nfs/dbraw/zinc/48/90/45/414489045.db2.gz LSJVYKDWWDQAGA-SJORKVTESA-N 2 0 256.393 2.627 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)CC1 ZINC000038028860 174017964 /nfs/dbraw/zinc/01/79/64/174017964.db2.gz FEKDDEAPCQPNIG-DLBZAZTESA-N 2 0 295.515 2.961 10 0 CFAERP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CC[NH2+]CC1 ZINC000038040934 174041306 /nfs/dbraw/zinc/04/13/06/174041306.db2.gz QFUGRCDZDRLSNK-NSHDSACASA-N 2 0 252.789 2.613 10 0 CFAERP COc1ccc(OC)c([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749049 174393838 /nfs/dbraw/zinc/39/38/38/174393838.db2.gz UUIZPCRGYGEKFH-FUDCBSFHSA-N 2 0 290.407 2.719 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCN2CCCCCC2)CC1 ZINC000040767742 174398160 /nfs/dbraw/zinc/39/81/60/174398160.db2.gz YLAQWSXVRKDVDX-QGZVFWFLSA-N 2 0 295.515 2.963 10 0 CFAERP CC(C)C[C@H](C)[N@H+](C)CCOc1ccc(C(N)=[NH2+])cc1 ZINC000042584093 174807476 /nfs/dbraw/zinc/80/74/76/174807476.db2.gz IQVHIFIUJIASKM-ZDUSSCGKSA-N 2 0 277.412 2.716 10 0 CFAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389754 175033947 /nfs/dbraw/zinc/03/39/47/175033947.db2.gz ONATWUIBIKEKPV-NSHDSACASA-N 2 0 256.752 2.520 10 0 CFAERP CCCC[C@@H](CC)C[N@@H+]1CCCN(CCCC[NH3+])CC1 ZINC000043454527 175050095 /nfs/dbraw/zinc/05/00/95/175050095.db2.gz SMHCCRCNRAKRCE-QGZVFWFLSA-N 2 0 283.504 2.949 10 0 CFAERP CCCC[C@@H](CC)C[NH+]1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000043454549 175050196 /nfs/dbraw/zinc/05/01/96/175050196.db2.gz DJIBFAZJDHSEGB-SJORKVTESA-N 2 0 283.504 2.948 10 0 CFAERP CC[C@H](C)[N@H+](CCC[C@@H]1CCC[NH2+]C1)CCOC ZINC000043592065 175074322 /nfs/dbraw/zinc/07/43/22/175074322.db2.gz MAUUIJVUILBKLT-GJZGRUSLSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH+]1CCN([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805309 175107862 /nfs/dbraw/zinc/10/78/62/175107862.db2.gz RVKSIFYZYIZAQD-ULQDDVLXSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806194 175108436 /nfs/dbraw/zinc/10/84/36/175108436.db2.gz BIXOYYJJRAASIB-SJORKVTESA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043815397 175112205 /nfs/dbraw/zinc/11/22/05/175112205.db2.gz HXFCTHYTHGBBER-SFHVURJKSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818585 175113721 /nfs/dbraw/zinc/11/37/21/175113721.db2.gz MGFXLEOCCPOJIF-CVEARBPZSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895734 175119427 /nfs/dbraw/zinc/11/94/27/175119427.db2.gz UUJRMYHILFZGKA-XHSDSOJGSA-N 2 0 298.471 2.627 10 0 CFAERP C[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896930 175119790 /nfs/dbraw/zinc/11/97/90/175119790.db2.gz OFEONJXLVBSKNZ-ULQDDVLXSA-N 2 0 295.515 2.815 10 0 CFAERP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000043896999 175120197 /nfs/dbraw/zinc/12/01/97/175120197.db2.gz KQJBPDDCSCIXEZ-ZWKOTPCHSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+][C@H](CC)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907835 175123217 /nfs/dbraw/zinc/12/32/17/175123217.db2.gz OFEWKFUJARMTEA-DOTOQJQBSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965669 175127371 /nfs/dbraw/zinc/12/73/71/175127371.db2.gz WWTXCSTWIVOAJY-ZACQAIPSSA-N 2 0 295.515 2.959 10 0 CFAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965563 175127425 /nfs/dbraw/zinc/12/74/25/175127425.db2.gz OQNUOIBDTQHFFQ-XHSDSOJGSA-N 2 0 281.488 2.569 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000043967752 175128906 /nfs/dbraw/zinc/12/89/06/175128906.db2.gz CWXYAPKIEWZJRB-SFHVURJKSA-N 2 0 287.451 2.507 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2cccc(C)c2)[C@@H]([NH3+])CC)CC1 ZINC000044418424 175173195 /nfs/dbraw/zinc/17/31/95/175173195.db2.gz RAXDCFINSCKIIH-ROUUACIJSA-N 2 0 289.467 2.801 10 0 CFAERP CCC[NH+]1CCN([C@@H](C[NH3+])C[C@H](C)c2ccccc2)CC1 ZINC000044427763 175175254 /nfs/dbraw/zinc/17/52/54/175175254.db2.gz NBHUCHRSIJOVLX-FUHWJXTLSA-N 2 0 289.467 2.535 10 0 CFAERP CC[C@@H](c1ccc(OC)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512069 175188464 /nfs/dbraw/zinc/18/84/64/175188464.db2.gz UJHFSGAJZHPVCU-INIZCTEOSA-N 2 0 262.397 2.817 10 0 CFAERP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC000044515457 175189945 /nfs/dbraw/zinc/18/99/45/175189945.db2.gz NTFRUONAYBXUDE-INIZCTEOSA-N 2 0 262.397 2.775 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(O)cc2)CC1 ZINC000044517462 175190469 /nfs/dbraw/zinc/19/04/69/175190469.db2.gz FDTPGUCBKOQSIG-ZDUSSCGKSA-N 2 0 262.397 2.775 10 0 CFAERP CC[NH+]1CCC(C[NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000044517919 175190975 /nfs/dbraw/zinc/19/09/75/175190975.db2.gz IUBCKQJDHYAEFC-UHFFFAOYSA-N 2 0 282.815 2.867 10 0 CFAERP C[NH+]1CCC(CNC2=[NH+]C[C@@H](c3ccccc3)S2)CC1 ZINC000044526496 175191464 /nfs/dbraw/zinc/19/14/64/175191464.db2.gz SIPOIJAMRBMNLB-HNNXBMFYSA-N 2 0 289.448 2.762 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCCCOC)CC1 ZINC000044656999 175225811 /nfs/dbraw/zinc/22/58/11/175225811.db2.gz GTYMNSRUIKLYKP-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000044674991 175226944 /nfs/dbraw/zinc/22/69/44/175226944.db2.gz LXUZNJFNPLJZEV-XYPHTWIQSA-N 2 0 258.409 2.862 10 0 CFAERP C[C@@H](CN1Cc2ccccc2C1=[NH2+])[NH+]1CCCCC1 ZINC000044995264 175287294 /nfs/dbraw/zinc/28/72/94/175287294.db2.gz FHQYHJWGRVULLJ-ZDUSSCGKSA-N 2 0 257.381 2.702 10 0 CFAERP C[N@H+](CCOc1ccc(CC[NH3+])cc1)CC(C)(C)C ZINC000045068722 175300536 /nfs/dbraw/zinc/30/05/36/175300536.db2.gz UODKNNQBKCHZLT-UHFFFAOYSA-N 2 0 264.413 2.545 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371464 175364547 /nfs/dbraw/zinc/36/45/47/175364547.db2.gz IPPACXBUVPRFHH-QGZVFWFLSA-N 2 0 297.487 2.666 10 0 CFAERP CC(C)C[NH+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045420428 175378818 /nfs/dbraw/zinc/37/88/18/175378818.db2.gz YYQSLHWZVAPIAN-QGZVFWFLSA-N 2 0 299.503 2.623 10 0 CFAERP C[C@@H](Cc1cccs1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071271963 176104876 /nfs/dbraw/zinc/10/48/76/176104876.db2.gz DEGGCTBWVLNLRG-WODVXLOZSA-N 2 0 250.411 2.633 10 0 CFAERP Cc1ccc(OCC[NH+](C)C)c(C[NH2+]C(C)(C)C)c1 ZINC000071407196 176156093 /nfs/dbraw/zinc/15/60/93/176156093.db2.gz HTDWMCNLMMXOFY-UHFFFAOYSA-N 2 0 264.413 2.824 10 0 CFAERP CC1(C)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000076697554 177060936 /nfs/dbraw/zinc/06/09/36/177060936.db2.gz IIYDMQNCWMPTCT-HZPDHXFCSA-N 2 0 258.409 2.897 10 0 CFAERP CC[C@H](CC[NH3+])CCC[NH+]1CCC(COC)CC1 ZINC000079214321 177449425 /nfs/dbraw/zinc/44/94/25/177449425.db2.gz JDJCZRXDKUYCSI-AWEZNQCLSA-N 2 0 256.434 2.500 10 0 CFAERP CCC[C@H](CC[NH3+])CCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000079244687 177455559 /nfs/dbraw/zinc/45/55/59/177455559.db2.gz JNDHBRLNLOTTFE-KKUMJFAQSA-N 2 0 256.434 2.689 10 0 CFAERP C[C@H]1CCCN(c2cc[nH+]c3ccccc32)[C@H]1C[NH3+] ZINC000252122610 299853413 /nfs/dbraw/zinc/85/34/13/299853413.db2.gz JOOFFJOPLVZLIW-LRDDRELGSA-N 2 0 255.365 2.798 10 0 CFAERP CC1(C)CN(c2cc[nH+]c3ccccc32)CC[C@H]1[NH3+] ZINC000261570904 276136019 /nfs/dbraw/zinc/13/60/19/276136019.db2.gz PTHJSWKIAHOYTJ-OAHLLOKOSA-N 2 0 255.365 2.798 10 0 CFAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCC3(F)F)C2)C1 ZINC000334624562 277086473 /nfs/dbraw/zinc/08/64/73/277086473.db2.gz JEQOSKLKNWUAQJ-KGLIPLIRSA-N 2 0 272.383 2.840 10 0 CFAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248623120 281029997 /nfs/dbraw/zinc/02/99/97/281029997.db2.gz BIPWJQYYRPESDC-ZACQAIPSSA-N 2 0 295.515 2.817 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251460675 281072518 /nfs/dbraw/zinc/07/25/18/281072518.db2.gz YVZMIHPVCSDYSD-GVDBMIGSSA-N 2 0 283.504 2.863 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000562958666 290085885 /nfs/dbraw/zinc/08/58/85/290085885.db2.gz JYKQZSIASLYDDR-OCCSQVGLSA-N 2 0 266.816 2.860 10 0 CFAERP C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000566004159 290340374 /nfs/dbraw/zinc/34/03/74/290340374.db2.gz YKNQHEZOSQSTFJ-YNEHKIRRSA-N 2 0 260.372 2.790 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@@H](C)[C@H]2C[NH3+])c1Cl ZINC000261554845 302709315 /nfs/dbraw/zinc/70/93/15/302709315.db2.gz PEENBAKRVVLYML-BXKDBHETSA-N 2 0 253.777 2.607 10 0 CFAERP C#[N+]c1nn(-c2ccc(C)cc2)[n+](-c2ccc(C)cc2)n1 ZINC000100034354 304849370 /nfs/dbraw/zinc/84/93/70/304849370.db2.gz RVBSMCPLGSPFAF-UHFFFAOYSA-N 2 0 276.323 2.712 10 0 CFAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000052180799 519719724 /nfs/dbraw/zinc/71/97/24/519719724.db2.gz UXQOJTGCKMKEKD-HNNXBMFYSA-N 2 0 268.445 2.513 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377170 519745374 /nfs/dbraw/zinc/74/53/74/519745374.db2.gz NTSUFUCDSUYFFV-HOTGVXAUSA-N 2 0 268.445 2.512 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380707 519743778 /nfs/dbraw/zinc/74/37/78/519743778.db2.gz ILPOSYZZNNPLLG-SOUVJXGZSA-N 2 0 256.434 2.510 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCCSC)CC1 ZINC000069432761 519847587 /nfs/dbraw/zinc/84/75/87/519847587.db2.gz MGMKBPGWASKDSR-ZDUSSCGKSA-N 2 0 258.475 2.840 10 0 CFAERP CCC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052347083 519859007 /nfs/dbraw/zinc/85/90/07/519859007.db2.gz NSUYTSXMOLURFZ-DLBZAZTESA-N 2 0 282.472 2.902 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@H](C)CCC)CCOCC1 ZINC000052181879 519909559 /nfs/dbraw/zinc/90/95/59/519909559.db2.gz VSLBCFQJURWCDG-OAHLLOKOSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CCC)C2CC2)CCOCC1 ZINC000052181422 519910308 /nfs/dbraw/zinc/91/03/08/519910308.db2.gz UABIQYNWJQSSPO-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCC)C(C)C)O1 ZINC000052450568 519937748 /nfs/dbraw/zinc/93/77/48/519937748.db2.gz AQZMWTMDOPDMBF-HUUCEWRRSA-N 2 0 256.434 2.654 10 0 CFAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)CC(C)C)on1 ZINC000052571900 519987648 /nfs/dbraw/zinc/98/76/48/519987648.db2.gz IPPDTGQEQHEJLU-LBPRGKRZSA-N 2 0 253.390 2.651 10 0 CFAERP CC[NH2+]Cc1cc(CN(CC[NH+](C)C)CC(C)C)c(C)o1 ZINC000052503405 519988005 /nfs/dbraw/zinc/98/80/05/519988005.db2.gz MLYLIQWHBTWCID-UHFFFAOYSA-N 2 0 295.471 2.717 10 0 CFAERP CCCCC[N@H+](C[C@@H]1CC[C@H](C[NH2+]C)O1)C(C)C ZINC000052544850 520174977 /nfs/dbraw/zinc/17/49/77/520174977.db2.gz SEHZYFSSAKANOT-CABCVRRESA-N 2 0 256.434 2.654 10 0 CFAERP CC1(C)CC[NH+](Cc2ccc(C[NH3+])cc2F)CC1 ZINC000061818783 520381702 /nfs/dbraw/zinc/38/17/02/520381702.db2.gz FEKRVPUDXDLWDJ-UHFFFAOYSA-N 2 0 250.361 2.906 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000069380859 521120649 /nfs/dbraw/zinc/12/06/49/521120649.db2.gz WFUICEMQGPZNQG-HOTGVXAUSA-N 2 0 269.477 2.700 10 0 CFAERP CCC[N@H+](C)CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000052444503 521483640 /nfs/dbraw/zinc/48/36/40/521483640.db2.gz MZHFQBVXSFAVAI-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)[C@@H](C)c2cccs2)CCOCC1 ZINC000052182442 521968987 /nfs/dbraw/zinc/96/89/87/521968987.db2.gz SZDAHAIEPNJNDH-ZDUSSCGKSA-N 2 0 282.453 2.757 10 0 CFAERP C[C@H]([NH2+]CCCCOCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400459221 533844318 /nfs/dbraw/zinc/84/43/18/533844318.db2.gz RAAZMYAPHVELTJ-DOTOQJQBSA-N 2 0 276.424 2.571 10 0 CFAERP CC(C)C[N@H+](CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052182775 519714752 /nfs/dbraw/zinc/71/47/52/519714752.db2.gz LXRIBBRXMOSIAV-UHFFFAOYSA-N 2 0 282.472 2.902 10 0 CFAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417334 519721094 /nfs/dbraw/zinc/72/10/94/519721094.db2.gz MIHGWFRNOYJADA-QGZVFWFLSA-N 2 0 289.467 2.975 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425085 519723933 /nfs/dbraw/zinc/72/39/33/519723933.db2.gz GYZYXZKFIFYQJD-HOTGVXAUSA-N 2 0 268.445 2.798 10 0 CFAERP CC(C)[NH2+]C[C@H](C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346139 519724468 /nfs/dbraw/zinc/72/44/68/519724468.db2.gz HYKAEQNSWAGWND-ZDUSSCGKSA-N 2 0 252.377 2.892 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1OCC[N@@H+]1CC[C@@H](C)C1 ZINC000052484464 519728100 /nfs/dbraw/zinc/72/81/00/519728100.db2.gz FLUFDNQCRPBEAJ-OAHLLOKOSA-N 2 0 276.424 2.905 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507543 519743675 /nfs/dbraw/zinc/74/36/75/519743675.db2.gz LCIIOURGFUYDFV-CVEARBPZSA-N 2 0 270.461 2.902 10 0 CFAERP CC(C)[C@@H](C[NH+](C)C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049221096 519794117 /nfs/dbraw/zinc/79/41/17/519794117.db2.gz XGJURAVYTMPRFO-CYBMUJFWSA-N 2 0 264.348 2.516 10 0 CFAERP CC(C)c1ccc([C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049557344 519839253 /nfs/dbraw/zinc/83/92/53/519839253.db2.gz XUNOLCPFHCTPEB-YOEHRIQHSA-N 2 0 278.440 2.773 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000050370780 519847808 /nfs/dbraw/zinc/84/78/08/519847808.db2.gz ZXYKGJUHKVORNL-IMJJTQAJSA-N 2 0 268.445 2.654 10 0 CFAERP CCC1CC[NH+](CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052197897 519859044 /nfs/dbraw/zinc/85/90/44/519859044.db2.gz UXJHNIPCYXHWRV-UHFFFAOYSA-N 2 0 280.456 2.657 10 0 CFAERP CCC1CC[NH+](CC2(C[NH2+]C(C)C)CCOCC2)CC1 ZINC000052197895 519859225 /nfs/dbraw/zinc/85/92/25/519859225.db2.gz YGBNFTNMHPAGCB-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000052180794 519911056 /nfs/dbraw/zinc/91/10/56/519911056.db2.gz UDSMTIOBVKMSDG-HNNXBMFYSA-N 2 0 268.445 2.515 10 0 CFAERP CCC[NH2+]CC1(C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180551 519911163 /nfs/dbraw/zinc/91/11/63/519911163.db2.gz MDLFJQOOJTYAFW-HOTGVXAUSA-N 2 0 282.472 2.761 10 0 CFAERP CCC[NH2+]CCCCC[N@H+](CCOC)[C@@H](C)CC ZINC000052547401 519911874 /nfs/dbraw/zinc/91/18/74/519911874.db2.gz RNHVWCRIDFCWTD-HNNXBMFYSA-N 2 0 258.450 2.903 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197660 519911909 /nfs/dbraw/zinc/91/19/09/519911909.db2.gz ZIMZSKJPUDOISM-HNNXBMFYSA-N 2 0 270.461 2.759 10 0 CFAERP CC[NH2+]CC1(C[NH+]2CCC(C[NH+](C)C)CC2)CCCCC1 ZINC000051252184 519913290 /nfs/dbraw/zinc/91/32/90/519913290.db2.gz NXXDWVODIMXTCR-UHFFFAOYSA-N 3 0 295.515 2.820 10 0 CFAERP CCC[NH2+]C[C@@H](CC)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416942 519921296 /nfs/dbraw/zinc/92/12/96/519921296.db2.gz XZQDUQRHPYQNEZ-QZTJIDSGSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419168 519926789 /nfs/dbraw/zinc/92/67/89/519926789.db2.gz KIHUDLWGDSMGJP-ZWKOTPCHSA-N 2 0 288.435 2.592 10 0 CFAERP CCC[NH2+]C[C@H](CC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417097 519931169 /nfs/dbraw/zinc/93/11/69/519931169.db2.gz IBRKWFSOYLDYAT-SFHVURJKSA-N 2 0 289.467 2.582 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420856 519938304 /nfs/dbraw/zinc/93/83/04/519938304.db2.gz RHOLBUAXNHWQNS-QXSJWSMHSA-N 2 0 268.445 2.512 10 0 CFAERP CCC[NH2+]C[C@]1(C[N@H+](CC)CC2CC2)CCCOC1 ZINC000069239937 519940672 /nfs/dbraw/zinc/94/06/72/519940672.db2.gz KLPBPRRFPIMEEP-INIZCTEOSA-N 2 0 268.445 2.515 10 0 CFAERP CCC[NH2+]Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000052481875 519947671 /nfs/dbraw/zinc/94/76/71/519947671.db2.gz QCXOWMRQZNDOQO-UHFFFAOYSA-N 2 0 276.424 2.797 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@H+](C)CC(C)C)cc1 ZINC000052452673 520000037 /nfs/dbraw/zinc/00/00/37/520000037.db2.gz NKLBQAJKRXBNQW-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CCCCC[N@H+](C)Cc1cc(C[NH2+]CCC)no1 ZINC000052454757 520152235 /nfs/dbraw/zinc/15/22/35/520152235.db2.gz MCSYKLFLORIODD-UHFFFAOYSA-N 2 0 253.390 2.796 10 0 CFAERP CC1(C)CC[NH+](CCOc2cccc(C[NH3+])c2)CC1 ZINC000061818756 520377949 /nfs/dbraw/zinc/37/79/49/520377949.db2.gz KHQNNWMOHRJBIH-UHFFFAOYSA-N 2 0 262.397 2.646 10 0 CFAERP CCCC[N@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180926 520397961 /nfs/dbraw/zinc/39/79/61/520397961.db2.gz IRAGFLFKXCDFDK-UHFFFAOYSA-N 2 0 270.461 2.761 10 0 CFAERP CC1(C)Cc2c(ccn2CC[NH+]2CCCC2)[C@@H]([NH3+])C1 ZINC000054133924 520574762 /nfs/dbraw/zinc/57/47/62/520574762.db2.gz PJHIJEHZAOSQIA-AWEZNQCLSA-N 2 0 261.413 2.556 10 0 CFAERP CCC[C@H](C)[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000049952927 521063664 /nfs/dbraw/zinc/06/36/64/521063664.db2.gz GNORAFSWGPDORC-DOTOQJQBSA-N 2 0 281.488 2.700 10 0 CFAERP CC[N@H+](Cc1csc(C[NH3+])n1)C1CCCCC1 ZINC000052420087 521443685 /nfs/dbraw/zinc/44/36/85/521443685.db2.gz FSVNTKCWGIWKAS-UHFFFAOYSA-N 2 0 253.415 2.756 10 0 CFAERP CC[N@H+](Cc1occc1C[NH2+]C(C)C)[C@H](C)COC ZINC000052504765 521471057 /nfs/dbraw/zinc/47/10/57/521471057.db2.gz LISQELUWSZXILS-CYBMUJFWSA-N 2 0 268.401 2.634 10 0 CFAERP CCC[N@H+](CC1CC1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182663 521624739 /nfs/dbraw/zinc/62/47/39/521624739.db2.gz MMIZBRPREYQWTB-UHFFFAOYSA-N 2 0 280.456 2.657 10 0 CFAERP CCOC1CC[NH+](C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052483972 521656014 /nfs/dbraw/zinc/65/60/14/521656014.db2.gz AAXOXWQWQJRGRP-CYBMUJFWSA-N 2 0 256.434 2.512 10 0 CFAERP C[NH2+]CCC[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372937 522000757 /nfs/dbraw/zinc/00/07/57/522000757.db2.gz DYXCBZMIHACVEV-ZDUSSCGKSA-N 2 0 250.386 2.515 10 0 CFAERP C[NH2+]Cc1ccoc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000052424611 522139190 /nfs/dbraw/zinc/13/91/90/522139190.db2.gz PUXIUYMRVQFEKU-UHFFFAOYSA-N 2 0 258.365 2.939 10 0 CFAERP COCc1cccc(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000052205685 523052337 /nfs/dbraw/zinc/05/23/37/523052337.db2.gz QIDGEOMOOZKDQR-KRWDZBQOSA-N 2 0 276.424 2.797 10 0 CFAERP CC[C@@H]1CCC[N@@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052375138 523266199 /nfs/dbraw/zinc/26/61/99/523266199.db2.gz AZTYZXATBGLIRP-OAHLLOKOSA-N 2 0 262.397 2.659 10 0 CFAERP CCn1cc[nH+]c1NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000050614146 523550592 /nfs/dbraw/zinc/55/05/92/523550592.db2.gz BSVGVUJPHZABMV-UKRRQHHQSA-N 2 0 264.417 2.825 10 0 CFAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1csc(C[NH3+])n1 ZINC000052546769 524132592 /nfs/dbraw/zinc/13/25/92/524132592.db2.gz IBNJAZRYTLXJIX-PWSUYJOCSA-N 2 0 253.415 2.612 10 0 CFAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000310007033 524138140 /nfs/dbraw/zinc/13/81/40/524138140.db2.gz IFFDQCQIDQEPMN-CVEARBPZSA-N 2 0 277.456 2.614 10 0 CFAERP C[C@@H]1CCC[C@](CNCC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000052205805 524430448 /nfs/dbraw/zinc/43/04/48/524430448.db2.gz AWDWVTMSBAZWDL-SQNIBIBYSA-N 2 0 295.515 2.961 10 0 CFAERP C[C@@H]1CC[N@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052182196 524503534 /nfs/dbraw/zinc/50/35/34/524503534.db2.gz VSILNEAGAMXRTG-CQSZACIVSA-N 2 0 268.445 2.513 10 0 CFAERP Cc1cccc(N2CC[NH+](CCCC[C@H](C)[NH3+])CC2)c1C ZINC000045599269 524556170 /nfs/dbraw/zinc/55/61/70/524556170.db2.gz QEWLCCJFGKVLLD-INIZCTEOSA-N 2 0 289.467 2.943 10 0 CFAERP Cc1cc(C[N@@H+]2CCc3ccccc3C2)oc1C[NH3+] ZINC000052419123 524708639 /nfs/dbraw/zinc/70/86/39/524708639.db2.gz AKUDGFUDGHDJGP-UHFFFAOYSA-N 2 0 256.349 2.605 10 0 CFAERP C[C@H]([N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1)C(C)(C)C ZINC000052182309 524813934 /nfs/dbraw/zinc/81/39/34/524813934.db2.gz WKFURBIMMDSIMK-AWEZNQCLSA-N 2 0 282.472 2.902 10 0 CFAERP Cc1cc(F)ccc1[C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000050579168 525007798 /nfs/dbraw/zinc/00/77/98/525007798.db2.gz LYQQEJZOOHYKKU-KRWDZBQOSA-N 2 0 295.446 2.654 10 0 CFAERP C[C@]1(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC[NH2+]C1 ZINC000262038276 525244957 /nfs/dbraw/zinc/24/49/57/525244957.db2.gz OWJSDJGARILIFY-FMKPAKJESA-N 2 0 294.464 2.636 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1cccc(C[NH3+])c1 ZINC000050563645 525638367 /nfs/dbraw/zinc/63/83/67/525638367.db2.gz OGVSHIPYKTUQFG-UONOGXRCSA-N 2 0 262.397 2.645 10 0 CFAERP c1ccc2c(c1)OCC[C@H]2[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197619 526511154 /nfs/dbraw/zinc/51/11/54/526511154.db2.gz OTLMNTSYYGVONV-DLBZAZTESA-N 2 0 286.419 2.974 10 0 CFAERP Cc1oc(C[NH3+])cc1C[N@@H+]1CCc2ccccc2C1 ZINC000052419124 526770778 /nfs/dbraw/zinc/77/07/78/526770778.db2.gz JERWMYCGQRINCQ-UHFFFAOYSA-N 2 0 256.349 2.605 10 0 CFAERP Cc1ncc(C[NH2+]CC[C@H]([NH3+])c2ccccc2)s1 ZINC000049538890 527270850 /nfs/dbraw/zinc/27/08/50/527270850.db2.gz RLJXPSYRISKFBN-AWEZNQCLSA-N 2 0 261.394 2.631 10 0 CFAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000261721446 618375260 /nfs/dbraw/zinc/37/52/60/618375260.db2.gz QFHBZQKOLMVNOB-IAOVAPTHSA-N 2 0 281.403 2.712 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000094089246 619078156 /nfs/dbraw/zinc/07/81/56/619078156.db2.gz ZDGWWSLDZDUGQZ-PKSQDBQZSA-N 2 0 252.427 2.847 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc4ccccc34)C[C@@H]12 ZINC000261576898 619172255 /nfs/dbraw/zinc/17/22/55/619172255.db2.gz CJZDMZRBWMBEBS-NILFDRSVSA-N 2 0 256.349 2.602 10 0 CFAERP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000231457996 620419500 /nfs/dbraw/zinc/41/95/00/620419500.db2.gz SJFLQAFXTUPQHA-AWEZNQCLSA-N 2 0 250.361 2.708 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000251693926 650992759 /nfs/dbraw/zinc/99/27/59/650992759.db2.gz LUMZPMLCUIDXBF-CHIMOYNISA-N 2 0 254.324 2.743 10 0 CFAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000133588302 646166244 /nfs/dbraw/zinc/16/62/44/646166244.db2.gz UQUSYSMHSSCUNX-GOSISDBHSA-N 3 0 289.467 2.760 10 0 CFAERP CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccc(F)cc21 ZINC000082509365 178076022 /nfs/dbraw/zinc/07/60/22/178076022.db2.gz ANJJBJNXPSRSJD-CQSZACIVSA-N 2 0 278.371 2.723 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CCC(F)(F)CC1 ZINC000423265391 290049950 /nfs/dbraw/zinc/04/99/50/290049950.db2.gz CXABCFRXCLGBNZ-DRZSPHRISA-N 2 0 260.372 2.917 10 0 CFAERP CC[N@H+](CCCCC[NH3+])Cc1ccccc1OC ZINC000034478258 346317684 /nfs/dbraw/zinc/31/76/84/346317684.db2.gz LKDABYLCDZPPSP-UHFFFAOYSA-N 2 0 250.386 2.646 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000118850016 347798618 /nfs/dbraw/zinc/79/86/18/347798618.db2.gz KAXQIIGCHQPXCF-QZTJIDSGSA-N 2 0 266.388 2.861 10 0 CFAERP CCOCc1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818621 179347471 /nfs/dbraw/zinc/34/74/71/179347471.db2.gz CVKJTHOGLARRJZ-QGZVFWFLSA-N 2 0 276.424 2.797 10 0 CFAERP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818854 179347911 /nfs/dbraw/zinc/34/79/11/179347911.db2.gz PVHSENGPMZWTFL-JKSUJKDBSA-N 2 0 276.424 2.836 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000086818865 179348334 /nfs/dbraw/zinc/34/83/34/179348334.db2.gz ZFTZNZKDJUYNJV-ZDUSSCGKSA-N 2 0 264.438 2.811 10 0 CFAERP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818909 179348703 /nfs/dbraw/zinc/34/87/03/179348703.db2.gz QHBPARPAIRMUGX-GXTWGEPZSA-N 2 0 252.427 2.753 10 0 CFAERP Cc1cc2ccccc2nc1NCC(F)(F)CN ZINC000162691147 348030977 /nfs/dbraw/zinc/03/09/77/348030977.db2.gz FREQBGMIEMGRGX-UHFFFAOYSA-N 2 0 251.280 2.549 10 0 CFAERP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086817406 179344640 /nfs/dbraw/zinc/34/46/40/179344640.db2.gz MWLCTOBQSLGYKP-CZUORRHYSA-N 2 0 289.423 2.780 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000086817240 179345257 /nfs/dbraw/zinc/34/52/57/179345257.db2.gz LRWUAQVOFALFPT-OAHLLOKOSA-N 2 0 266.816 2.956 10 0 CFAERP CCC(CC)N(C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086847159 179356136 /nfs/dbraw/zinc/35/61/36/179356136.db2.gz NSOUVLCNKPRHMY-INIZCTEOSA-N 2 0 269.477 2.699 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000086848740 179356374 /nfs/dbraw/zinc/35/63/74/179356374.db2.gz OWMWFSSSMGRWCZ-KRWDZBQOSA-N 2 0 281.488 2.702 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000086840430 179352548 /nfs/dbraw/zinc/35/25/48/179352548.db2.gz BAJDKKYVMWSVLA-DZGCQCFKSA-N 2 0 262.397 2.917 10 0 CFAERP CCC[N@@H+]1CCC[C@](CC(=O)OCC)([NH+](CC)CC)CC1 ZINC000086868552 179360473 /nfs/dbraw/zinc/36/04/73/179360473.db2.gz WQAUMWYZYIXJLE-KRWDZBQOSA-N 2 0 298.471 2.916 10 0 CFAERP [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000218676000 348167251 /nfs/dbraw/zinc/16/72/51/348167251.db2.gz KDHHKSZMYTUIBM-ZDUSSCGKSA-N 2 0 272.314 2.747 10 0 CFAERP C[C@@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)CC[NH2+]C[C@H]2C ZINC000306493114 348388105 /nfs/dbraw/zinc/38/81/05/348388105.db2.gz YRPTZCWYPIRPQQ-BFYDXBDKSA-N 2 0 258.409 2.897 10 0 CFAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1csc2ccccc12 ZINC000087912793 179521094 /nfs/dbraw/zinc/52/10/94/179521094.db2.gz HASTZXPZTGZCEJ-HNNXBMFYSA-N 2 0 291.464 2.833 10 0 CFAERP c1ccc(C2(OCC[NH+]3CCCCC3)CC[NH2+]CC2)cc1 ZINC000584650012 348702029 /nfs/dbraw/zinc/70/20/29/348702029.db2.gz ROXQSPDAWNTFGM-UHFFFAOYSA-N 2 0 288.435 2.768 10 0 CFAERP C[C@H]1CC[NH+](CCOC2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000104439109 186002281 /nfs/dbraw/zinc/00/22/81/186002281.db2.gz MQGJBPIURJGYMF-GJZGRUSLSA-N 2 0 268.445 2.798 10 0 CFAERP CCn1cccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000091025788 180089675 /nfs/dbraw/zinc/08/96/75/180089675.db2.gz SXVZUCGKPOXVRP-HNNXBMFYSA-N 2 0 263.429 2.720 10 0 CFAERP CC(C)CC[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000107801503 186191801 /nfs/dbraw/zinc/19/18/01/186191801.db2.gz BUDYTFVXLYPYJQ-UHFFFAOYSA-N 2 0 289.467 2.570 10 0 CFAERP C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C[NH3+] ZINC000631840086 355602753 /nfs/dbraw/zinc/60/27/53/355602753.db2.gz PJLOYBFHNOSFDY-AAEUAGOBSA-N 2 0 289.810 2.915 10 0 CFAERP Cc1[nH+]ccc(N2CC[C@@H](C)C[C@H]2C[NH3+])c1Cl ZINC000261556838 540704613 /nfs/dbraw/zinc/70/46/13/540704613.db2.gz REFDPISQEYRSAQ-KOLCDFICSA-N 2 0 253.777 2.607 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@@H]12 ZINC000311738187 541029404 /nfs/dbraw/zinc/02/94/04/541029404.db2.gz ZXCQKXJVYPNAMJ-NILFDRSVSA-N 2 0 280.412 2.587 10 0 CFAERP C[C@@H]([NH2+]CC1C2CC3CC(C2)CC1C3)[C@@H]1CC[NH2+]C1 ZINC000422985588 296120590 /nfs/dbraw/zinc/12/05/90/296120590.db2.gz FKAWAFVQCDJRCG-VFTZHOIRSA-N 2 0 262.441 2.646 10 0 CFAERP c1ccc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CC2CC2)C3)cc1 ZINC000026572855 372325534 /nfs/dbraw/zinc/32/55/34/372325534.db2.gz GMCXFOAXHJZUDC-HDICACEKSA-N 2 0 270.420 2.850 10 0 CFAERP [NH3+]C[C@@H](CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000055167801 373543518 /nfs/dbraw/zinc/54/35/18/373543518.db2.gz ZKPDFRWDVGWCJC-CYBMUJFWSA-N 2 0 252.789 2.868 10 0 CFAERP OC[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000067967925 374018441 /nfs/dbraw/zinc/01/84/41/374018441.db2.gz QPUNWWYJIBILEL-KRWDZBQOSA-N 2 0 288.435 2.622 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251188310 189969247 /nfs/dbraw/zinc/96/92/47/189969247.db2.gz ZLBZHHJFQBMECB-YDHLFZDLSA-N 2 0 262.397 2.782 10 0 CFAERP C[C@H]([NH3+])[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000104417448 375783206 /nfs/dbraw/zinc/78/32/06/375783206.db2.gz XTYNSFHEMGWCHD-STQMWFEESA-N 2 0 255.365 2.798 10 0 CFAERP C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000111824581 375871880 /nfs/dbraw/zinc/87/18/80/375871880.db2.gz ANVXPDGJQJSJCI-AWEZNQCLSA-N 2 0 252.789 2.914 10 0 CFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCC2CCCC2)CC1 ZINC000120486026 376624614 /nfs/dbraw/zinc/62/46/14/376624614.db2.gz XUVLNCMNPBCPOI-MRXNPFEDSA-N 2 0 296.499 2.981 10 0 CFAERP CC(C)(C[NH2+][C@@H]1CCC[NH2+]CC1)c1cccs1 ZINC000129319342 377411545 /nfs/dbraw/zinc/41/15/45/377411545.db2.gz IQJKKBADSZDIFM-GFCCVEGCSA-N 2 0 252.427 2.757 10 0 CFAERP CCc1nccn1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000130408664 377551103 /nfs/dbraw/zinc/55/11/03/377551103.db2.gz IUVKYDPKITVORW-HNNXBMFYSA-N 2 0 270.380 2.678 10 0 CFAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000174224806 379846873 /nfs/dbraw/zinc/84/68/73/379846873.db2.gz ZJEKSTABQSUTGX-AEFFLSMTSA-N 2 0 290.451 2.558 10 0 CFAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000400505817 380862418 /nfs/dbraw/zinc/86/24/18/380862418.db2.gz DGPULFCDHXBZSZ-BJJXKVORSA-N 2 0 262.397 2.734 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000400326257 380854519 /nfs/dbraw/zinc/85/45/19/380854519.db2.gz CKFWNQSTCZYAAY-ZJUUUORDSA-N 2 0 258.818 2.532 10 0 CFAERP C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400428159 380859378 /nfs/dbraw/zinc/85/93/78/380859378.db2.gz ZHBANLJEOHZUDX-VXGBXAGGSA-N 2 0 252.427 2.613 10 0 CFAERP C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400442730 380859627 /nfs/dbraw/zinc/85/96/27/380859627.db2.gz MVGQHQINYYFAGC-WDEREUQCSA-N 2 0 272.314 2.793 10 0 CFAERP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000400493080 380861560 /nfs/dbraw/zinc/86/15/60/380861560.db2.gz ZWNWDJOYUMILCH-PWSUYJOCSA-N 2 0 272.314 2.793 10 0 CFAERP C[C@@H](CC[NH2+]C[C@@H](O)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000379659311 382508049 /nfs/dbraw/zinc/50/80/49/382508049.db2.gz ZOJNPJBXKHVXQQ-DOTOQJQBSA-N 2 0 292.467 2.894 10 0 CFAERP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381147930 382518079 /nfs/dbraw/zinc/51/80/79/382518079.db2.gz IZQFHQPDSHTUAQ-LALPHHSUSA-N 2 0 250.361 2.803 10 0 CFAERP [NH2+]=C(NC1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052045719 184566986 /nfs/dbraw/zinc/56/69/86/184566986.db2.gz CICZXKHQFSZDND-UHFFFAOYSA-N 2 0 292.471 2.794 10 0 CFAERP CC(C)CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190821876 382681431 /nfs/dbraw/zinc/68/14/31/382681431.db2.gz FRUZOJHCVJOOST-KRWDZBQOSA-N 2 0 275.440 2.881 10 0 CFAERP CC(C)[NH2+][C@](C)(CO)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000085239164 184606927 /nfs/dbraw/zinc/60/69/27/184606927.db2.gz ZCJCAMXEXWKCEM-JYJNAYRXSA-N 2 0 270.461 2.779 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000575438718 382771412 /nfs/dbraw/zinc/77/14/12/382771412.db2.gz COMYNOWWAYAISM-LLVKDONJSA-N 2 0 257.175 2.578 10 0 CFAERP CN(Cc1cc(Cl)cs1)[C@H]1CCC[NH2+]CC1 ZINC000226448508 382828463 /nfs/dbraw/zinc/82/84/63/382828463.db2.gz ACAAJMOHRILTFK-NSHDSACASA-N 2 0 258.818 2.975 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000261564235 383513878 /nfs/dbraw/zinc/51/38/78/383513878.db2.gz XPJIIQSQVFEVIC-MRVWCRGKSA-N 2 0 250.773 2.509 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]12 ZINC000261626793 383532191 /nfs/dbraw/zinc/53/21/91/383532191.db2.gz HEPGMECZZOOKPN-FVQBIDKESA-N 2 0 283.375 2.511 10 0 CFAERP COCC1(CNc2cc[nH+]c3ccccc23)CC[NH2+]CC1 ZINC000261648218 383537614 /nfs/dbraw/zinc/53/76/14/383537614.db2.gz JJAFUQPPPJFFTO-UHFFFAOYSA-N 2 0 285.391 2.663 10 0 CFAERP Cc1cnc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000261951850 383586113 /nfs/dbraw/zinc/58/61/13/383586113.db2.gz OAFLFVMGHGXXLA-CYBMUJFWSA-N 2 0 279.453 2.631 10 0 CFAERP C[N@H+](CCSCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262014833 383594425 /nfs/dbraw/zinc/59/44/25/383594425.db2.gz VMPLVQQNFBNADS-MRXNPFEDSA-N 2 0 278.465 2.994 10 0 CFAERP CCOc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000262012510 383594698 /nfs/dbraw/zinc/59/46/98/383594698.db2.gz VGRSGPSMBZTMBG-AWEZNQCLSA-N 2 0 280.387 2.798 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000261792141 383561210 /nfs/dbraw/zinc/56/12/10/383561210.db2.gz LDGIZRPSKUMBCH-CVEARBPZSA-N 2 0 272.417 2.922 10 0 CFAERP Cc1cccc(C)c1OCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000262174675 383610686 /nfs/dbraw/zinc/61/06/86/383610686.db2.gz VQAYRNIIQJQYDJ-MRXNPFEDSA-N 2 0 276.424 2.756 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643458020 384640334 /nfs/dbraw/zinc/64/03/34/384640334.db2.gz NFCPROKXTBFZQA-VYDXJSESSA-N 2 0 276.424 2.569 10 0 CFAERP CC(C)OC1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000643475838 384654701 /nfs/dbraw/zinc/65/47/01/384654701.db2.gz PUQLKDXXXMECMY-QVOMUQBLSA-N 2 0 268.445 2.700 10 0 CFAERP Brc1cccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000313718811 393523143 /nfs/dbraw/zinc/52/31/43/393523143.db2.gz OXJNCJAXMFJXPW-CQSZACIVSA-N 2 0 297.240 2.723 10 0 CFAERP C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000381735749 393566985 /nfs/dbraw/zinc/56/69/85/393566985.db2.gz TWZVPQVCNUQJJC-UPJWGTAASA-N 2 0 260.372 2.729 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000105862253 393864492 /nfs/dbraw/zinc/86/44/92/393864492.db2.gz YGKRNQIXJCVJIC-HOTGVXAUSA-N 2 0 290.451 2.772 10 0 CFAERP C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000530213676 394482852 /nfs/dbraw/zinc/48/28/52/394482852.db2.gz UYVZIBFVFLOSMP-DOMZBBRYSA-N 2 0 250.430 2.790 10 0 CFAERP C[C@H]([NH2+][C@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000037074264 543026193 /nfs/dbraw/zinc/02/61/93/543026193.db2.gz HOFNYBCOBUYOLE-BBRMVZONSA-N 2 0 274.408 2.830 10 0 CFAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCCCC1 ZINC000384047569 543100823 /nfs/dbraw/zinc/10/08/23/543100823.db2.gz WAUJTSWHVAVUNG-DOTOQJQBSA-N 2 0 282.472 2.782 10 0 CFAERP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000394523437 397549666 /nfs/dbraw/zinc/54/96/66/397549666.db2.gz WKAPJOGZNHFNPT-YPMHNXCESA-N 2 0 260.372 2.871 10 0 CFAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133575045 397603580 /nfs/dbraw/zinc/60/35/80/397603580.db2.gz OFXLUOYLUFUFLS-SFHVURJKSA-N 3 0 289.467 2.760 10 0 CFAERP C[N@H+](C[C@@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000300241414 397636886 /nfs/dbraw/zinc/63/68/86/397636886.db2.gz DTCDPRYAIVEBNE-GJZGRUSLSA-N 2 0 274.408 2.627 10 0 CFAERP CC(C)[NH+]1CCC(NCc2ccccc2C[NH+](C)C)CC1 ZINC000020128567 171015597 /nfs/dbraw/zinc/01/55/97/171015597.db2.gz UNCRGKGDJOLCNX-UHFFFAOYSA-N 2 0 289.467 2.711 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000020365677 171164417 /nfs/dbraw/zinc/16/44/17/171164417.db2.gz SJMLIIVPCOMSTD-JKSUJKDBSA-N 2 0 299.503 2.637 10 0 CFAERP CC[C@H]([NH3+])c1ccccc1OCC[NH+](CC)CC ZINC000022165998 171365657 /nfs/dbraw/zinc/36/56/57/171365657.db2.gz MBNXXSAOYFDMMN-AWEZNQCLSA-N 2 0 250.386 2.817 10 0 CFAERP C[N@H+](CCC[NH2+]C[C@@H]1CCCCO1)Cc1ccccc1 ZINC000035151474 172014725 /nfs/dbraw/zinc/01/47/25/172014725.db2.gz AYJYDSUCQUIXHX-KRWDZBQOSA-N 2 0 276.424 2.667 10 0 CFAERP COc1ccccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037209031 173030419 /nfs/dbraw/zinc/03/04/19/173030419.db2.gz VOMOGYUGECXHJG-ZDUSSCGKSA-N 2 0 262.397 2.515 10 0 CFAERP C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210072 173031501 /nfs/dbraw/zinc/03/15/01/173031501.db2.gz CGTFUMMFLJYLMM-QWHCGFSZSA-N 2 0 252.427 2.611 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000037220125 173037873 /nfs/dbraw/zinc/03/78/73/173037873.db2.gz AQPWZMFTXGFMNZ-UONOGXRCSA-N 2 0 261.413 2.853 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000037220370 173039419 /nfs/dbraw/zinc/03/94/19/173039419.db2.gz HLJCREXVFMZDQX-KBPBESRZSA-N 2 0 261.413 2.853 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2cccs2)CC1 ZINC000037221146 173041104 /nfs/dbraw/zinc/04/11/04/173041104.db2.gz FMVIEGPYRKPMDN-LBPRGKRZSA-N 2 0 252.427 2.958 10 0 CFAERP C=COCCC[NH2+][C@@H](C)C1CC[NH+](CCC)CC1 ZINC000037221600 173041347 /nfs/dbraw/zinc/04/13/47/173041347.db2.gz HPUQGFJCKALIGQ-AWEZNQCLSA-N 2 0 254.418 2.637 10 0 CFAERP CC[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000037538102 173257959 /nfs/dbraw/zinc/25/79/59/173257959.db2.gz VISGFNLJLMQKDW-UHFFFAOYSA-N 2 0 252.789 2.914 10 0 CFAERP C(NC1CC[NH2+]CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000038040624 174041025 /nfs/dbraw/zinc/04/10/25/174041025.db2.gz IZTOCQIDZKKELS-UHFFFAOYSA-N 2 0 279.472 2.517 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096063 174110565 /nfs/dbraw/zinc/11/05/65/174110565.db2.gz SUMRFZLHMVMBGG-PMPSAXMXSA-N 2 0 268.445 2.656 10 0 CFAERP C[C@@H]([NH3+])c1ccc(OCC[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC000040240633 174213786 /nfs/dbraw/zinc/21/37/86/174213786.db2.gz SALGTTZNSQFCRT-DGCLKSJQSA-N 2 0 266.360 2.709 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCCN(CC)C2)CC1 ZINC000040502629 174298753 /nfs/dbraw/zinc/29/87/53/174298753.db2.gz FHLVZLMCOQPDOV-WBVHZDCISA-N 2 0 281.488 2.571 10 0 CFAERP Cc1cc(NCC[C@@H]([NH3+])C(C)C)c2ccccc2[nH+]1 ZINC000663276299 414666725 /nfs/dbraw/zinc/66/67/25/414666725.db2.gz QHSAXVRJQAIBDV-CQSZACIVSA-N 2 0 257.381 2.750 10 0 CFAERP [NH3+]C[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693785 174377670 /nfs/dbraw/zinc/37/76/70/174377670.db2.gz VXPMJKRGMUQPBU-GOSISDBHSA-N 2 0 287.451 2.637 10 0 CFAERP [NH3+]C1(CN2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000040694438 174378329 /nfs/dbraw/zinc/37/83/29/174378329.db2.gz VGHMKBIKXXHYEE-UHFFFAOYSA-N 2 0 279.472 2.598 10 0 CFAERP C[C@H](c1ccc(F)cc1F)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749331 174393825 /nfs/dbraw/zinc/39/38/25/174393825.db2.gz HWUHYDNWYWGQAC-NSNUZPRRSA-N 2 0 266.335 2.980 10 0 CFAERP Cc1cc2c(n1[C@H](C)C[NH+]1CCCC1)CCC[C@@H]2[NH3+] ZINC000041722191 174618167 /nfs/dbraw/zinc/61/81/67/174618167.db2.gz SIOLBAIHPVKRMT-HIFRSBDPSA-N 2 0 261.413 2.789 10 0 CFAERP Cc1ccccc1[C@H]([NH3+])CN(CC[NH+](C)C)CC(C)C ZINC000042748489 174866694 /nfs/dbraw/zinc/86/66/94/174866694.db2.gz UWKIMZBRPQUNBH-QGZVFWFLSA-N 2 0 277.456 2.514 10 0 CFAERP C(N[C@H]1CCC[NH2+]C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000043324472 175006897 /nfs/dbraw/zinc/00/68/97/175006897.db2.gz HNTFEIJKNFVLAF-INIZCTEOSA-N 2 0 279.472 2.517 10 0 CFAERP C(N[C@@H]1CCC[NH2+]C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000043324470 175007205 /nfs/dbraw/zinc/00/72/05/175007205.db2.gz HNTFEIJKNFVLAF-MRXNPFEDSA-N 2 0 279.472 2.517 10 0 CFAERP [NH3+]CC1(N2CCO[C@@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424620 175040217 /nfs/dbraw/zinc/04/02/17/175040217.db2.gz BBLFBQHQUWYWGA-LSDHHAIUSA-N 2 0 266.429 2.682 10 0 CFAERP CCCC[C@@H](CC)C[N@@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000043454538 175049963 /nfs/dbraw/zinc/04/99/63/175049963.db2.gz WQWBQYYSMHBEAS-DLBZAZTESA-N 2 0 283.504 2.805 10 0 CFAERP C[NH2+]Cc1ccc(OCCC[NH+]2CCCC2)c(Cl)c1 ZINC000043478261 175055440 /nfs/dbraw/zinc/05/54/40/175055440.db2.gz OESSIBHMKCQJIK-UHFFFAOYSA-N 2 0 282.815 2.924 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)Nc1cc(N)cc[nH+]1 ZINC000043568361 175067286 /nfs/dbraw/zinc/06/72/86/175067286.db2.gz CGDRALXCYOKMES-LBPRGKRZSA-N 2 0 250.390 2.586 10 0 CFAERP COCC[N@H+](CCC[C@@H]1CCC[NH2+]C1)[C@@H](C)C1CC1 ZINC000043592080 175074352 /nfs/dbraw/zinc/07/43/52/175074352.db2.gz QWFPCLDBOGHBHM-GJZGRUSLSA-N 2 0 268.445 2.513 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@H](CC)N1CC[NH+](CCC)CC1 ZINC000043805661 175107400 /nfs/dbraw/zinc/10/74/00/175107400.db2.gz FGQISNUTRYRHEB-SJORKVTESA-N 2 0 283.504 2.961 10 0 CFAERP CCc1ccc([C@H]([NH2+]C)[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000043805928 175108364 /nfs/dbraw/zinc/10/83/64/175108364.db2.gz PUVXEEFTMIYPMU-MAUKXSAKSA-N 2 0 289.467 2.536 10 0 CFAERP CCC[NH2+][C@@H](c1ccccc1)[C@H](CC)N1CC[NH+](C)CC1 ZINC000043811071 175110148 /nfs/dbraw/zinc/11/01/48/175110148.db2.gz MMZZCIHYZVLKRV-ROUUACIJSA-N 2 0 289.467 2.753 10 0 CFAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000043815224 175111788 /nfs/dbraw/zinc/11/17/88/175111788.db2.gz WLDZMDGVPUKRHZ-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000043815245 175111928 /nfs/dbraw/zinc/11/19/28/175111928.db2.gz PRPUYRMRVFBZNT-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815405 175112145 /nfs/dbraw/zinc/11/21/45/175112145.db2.gz GOZYTPVFHXFWMU-PVAVHDDUSA-N 2 0 281.488 2.569 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815453 175112281 /nfs/dbraw/zinc/11/22/81/175112281.db2.gz BHGFCVARJCNXIW-IRXDYDNUSA-N 2 0 283.504 2.959 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815300 175112288 /nfs/dbraw/zinc/11/22/88/175112288.db2.gz FCILCAZJHYYHHT-QAPCUYQASA-N 2 0 289.467 2.752 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895737 175119248 /nfs/dbraw/zinc/11/92/48/175119248.db2.gz UUJRMYHILFZGKA-ARFHVFGLSA-N 2 0 298.471 2.627 10 0 CFAERP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000043897000 175119918 /nfs/dbraw/zinc/11/99/18/175119918.db2.gz KQJBPDDCSCIXEZ-QZTJIDSGSA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965483 175127159 /nfs/dbraw/zinc/12/71/59/175127159.db2.gz BIHSFGNXEQOOLX-CVEARBPZSA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)c1ccccc1C ZINC000043965508 175127190 /nfs/dbraw/zinc/12/71/90/175127190.db2.gz WXGWBGNVHMGIKW-QGZVFWFLSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967802 175129240 /nfs/dbraw/zinc/12/92/40/175129240.db2.gz DNEGPZJZSNXPAW-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](CCOC)CC(C)C ZINC000043970293 175131514 /nfs/dbraw/zinc/13/15/14/175131514.db2.gz IYHFQMGJUNLXIC-HUUCEWRRSA-N 2 0 258.450 2.758 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970809 175131793 /nfs/dbraw/zinc/13/17/93/175131793.db2.gz HPEFZYYGQPTYQN-DLBZAZTESA-N 2 0 281.488 2.571 10 0 CFAERP CC[NH+]1CCC(N(C)C[C@H]([NH2+]C)c2ccccc2C)CC1 ZINC000043978103 175133261 /nfs/dbraw/zinc/13/32/61/175133261.db2.gz JVSMFJWGYQOPKQ-SFHVURJKSA-N 2 0 289.467 2.672 10 0 CFAERP C[NH2+][C@@H](CN(CC[NH+](C)C)CC(C)C)c1ccccc1C ZINC000043982074 175133925 /nfs/dbraw/zinc/13/39/25/175133925.db2.gz PVSKFPFXDDJJBX-SFHVURJKSA-N 2 0 291.483 2.775 10 0 CFAERP CC[N@H+](Cc1cc([C@@H](C)[NH2+]C)ccc1OC)[C@@H](C)COC ZINC000043981221 175134092 /nfs/dbraw/zinc/13/40/92/175134092.db2.gz WLMQCYWYYIEWMB-UONOGXRCSA-N 2 0 294.439 2.832 10 0 CFAERP C[NH+](C)C1CC[NH+]([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2O)CC1 ZINC000044133055 175145583 /nfs/dbraw/zinc/14/55/83/175145583.db2.gz ZFDBYRYVKMPLII-BMFZPTHFSA-N 2 0 282.472 2.588 10 0 CFAERP Cc1ccc(C)c([C@@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000044169705 175148733 /nfs/dbraw/zinc/14/87/33/175148733.db2.gz ZYMBGHYRZQKEFM-SFHVURJKSA-N 2 0 290.451 2.610 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2ccsc2)[C@H]([NH3+])CC)CC1 ZINC000044418501 175173355 /nfs/dbraw/zinc/17/33/55/175173355.db2.gz PJRWQLCXQQBQSS-CABCVRRESA-N 2 0 281.469 2.554 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(O)cc2)CC1 ZINC000044517463 175190418 /nfs/dbraw/zinc/19/04/18/175190418.db2.gz FDTPGUCBKOQSIG-CYBMUJFWSA-N 2 0 262.397 2.775 10 0 CFAERP Cc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)n1 ZINC000044516772 175190507 /nfs/dbraw/zinc/19/05/07/175190507.db2.gz PKGIGAXKAKDTNA-CQSZACIVSA-N 2 0 275.440 2.999 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(C)(C)OC)CC1 ZINC000044517591 175190625 /nfs/dbraw/zinc/19/06/25/175190625.db2.gz PDXDBIZWJSLKEZ-ZDUSSCGKSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH+]1CCC(Cn2c(N)[nH+]c3cc(C)ccc32)CC1 ZINC000044526475 175191392 /nfs/dbraw/zinc/19/13/92/175191392.db2.gz DOILHTFBFRMFQU-UHFFFAOYSA-N 2 0 272.396 2.659 10 0 CFAERP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000044532878 175195764 /nfs/dbraw/zinc/19/57/64/175195764.db2.gz OMGFDVRIPRUVOR-GDBMZVCRSA-N 2 0 275.440 2.999 10 0 CFAERP C[N@@H+]1CCC[C@@H](Cn2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000044538232 175199646 /nfs/dbraw/zinc/19/96/46/175199646.db2.gz UZXVIHHVBBYMFC-SNVBAGLBSA-N 2 0 278.787 2.614 10 0 CFAERP C[N@@H+]1CCC[C@@H](Cn2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000044538216 175200128 /nfs/dbraw/zinc/20/01/28/175200128.db2.gz KLVRCUXDHXSAAM-SNVBAGLBSA-N 2 0 278.787 2.614 10 0 CFAERP c1ccc([C@@H]2C[C@@H]2[NH2+]CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000044675898 175227174 /nfs/dbraw/zinc/22/71/74/175227174.db2.gz JKJTWLIWPOPPCT-XIRDDKMYSA-N 2 0 258.409 2.912 10 0 CFAERP Oc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044747331 175243036 /nfs/dbraw/zinc/24/30/36/175243036.db2.gz FBPSHUPMWPDWEY-SCLBCKFNSA-N 2 0 286.419 2.844 10 0 CFAERP C[N@H+](CCOc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068384 175300423 /nfs/dbraw/zinc/30/04/23/175300423.db2.gz NJDHXTYTWFTEQQ-UHFFFAOYSA-N 2 0 250.386 2.502 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[NH+](CCC)CCC)C(N)=O ZINC000045378542 175367864 /nfs/dbraw/zinc/36/78/64/175367864.db2.gz LNVGATXTKUWLFJ-INIZCTEOSA-N 2 0 285.476 2.522 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@](C)([NH3+])C(=O)OCC ZINC000045380604 175368856 /nfs/dbraw/zinc/36/88/56/175368856.db2.gz OUWBZYXDHPTBES-INIZCTEOSA-N 2 0 286.460 2.949 10 0 CFAERP CCC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045385902 175371717 /nfs/dbraw/zinc/37/17/17/175371717.db2.gz FXHIQBODJQOMNW-INIZCTEOSA-N 2 0 285.476 2.519 10 0 CFAERP CCCCC[N@H+](C)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045387938 175373785 /nfs/dbraw/zinc/37/37/85/175373785.db2.gz WAMFVJXNEATHKO-OAHLLOKOSA-N 2 0 272.433 2.559 10 0 CFAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045420983 175380219 /nfs/dbraw/zinc/38/02/19/175380219.db2.gz UPEOIKURWYWJDK-XJKSGUPXSA-N 2 0 286.460 2.804 10 0 CFAERP CSc1ccc([C@@H](CC[NH3+])C[NH+]2CCCC2)cc1 ZINC000076680408 177058518 /nfs/dbraw/zinc/05/85/18/177058518.db2.gz XGJYWNVWHJYPPK-AWEZNQCLSA-N 2 0 264.438 2.937 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400923554 420502737 /nfs/dbraw/zinc/50/27/37/420502737.db2.gz GPLHSERIVJJKTO-LAVFITLUSA-N 2 0 288.435 2.569 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000390555059 262216406 /nfs/dbraw/zinc/21/64/06/262216406.db2.gz GNCNAHYDQHMQHJ-LSDHHAIUSA-N 2 0 264.413 2.699 10 0 CFAERP CC(C)([NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390640685 262233960 /nfs/dbraw/zinc/23/39/60/262233960.db2.gz KTWBBIJGFIWZEY-ALOPSCKCSA-N 2 0 287.451 2.509 10 0 CFAERP C[C@H]([NH3+])[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390686219 262240764 /nfs/dbraw/zinc/24/07/64/262240764.db2.gz YAPZCXHTYXLPFD-COSYGPSOSA-N 2 0 287.451 2.507 10 0 CFAERP CC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000227799294 270257975 /nfs/dbraw/zinc/25/79/75/270257975.db2.gz FJCGZYQKDGRQPX-ROUUACIJSA-N 2 0 290.451 2.572 10 0 CFAERP C[NH2+]C[C@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000040601836 277283442 /nfs/dbraw/zinc/28/34/42/277283442.db2.gz VMSVJDITAPXWIV-CQSZACIVSA-N 2 0 269.392 2.979 10 0 CFAERP C[C@@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400437288 278378664 /nfs/dbraw/zinc/37/86/64/278378664.db2.gz NATLLYZOPXOELK-NQBHXWOUSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000248443316 281022092 /nfs/dbraw/zinc/02/20/92/281022092.db2.gz BBQUBXNYWVOFES-BQFCYCMXSA-N 2 0 296.499 2.837 10 0 CFAERP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000515828749 281298089 /nfs/dbraw/zinc/29/80/89/281298089.db2.gz HXFFFWNQLLHEES-XDQVBPFNSA-N 2 0 256.459 2.638 10 0 CFAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261551928 295240432 /nfs/dbraw/zinc/24/04/32/295240432.db2.gz AOMYZDMSQMGTMT-OLZOCXBDSA-N 2 0 260.372 2.873 10 0 CFAERP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc2[nH+]1 ZINC000261870643 301343826 /nfs/dbraw/zinc/34/38/26/301343826.db2.gz ZATBPKNTTRTHHH-NWANDNLSSA-N 2 0 267.376 2.717 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000089150276 302579422 /nfs/dbraw/zinc/57/94/22/302579422.db2.gz QEJIMBITDKNPGT-MVWJERBFSA-N 2 0 253.415 2.538 10 0 CFAERP Cc1ccc2[nH+]ccc(N3CC[C@@H]([NH+](C)C)C3)c2c1 ZINC000185626025 323968270 /nfs/dbraw/zinc/96/82/70/323968270.db2.gz ZHAAHCQESWBBID-CYBMUJFWSA-N 2 0 255.365 2.684 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000582295402 325193218 /nfs/dbraw/zinc/19/32/18/325193218.db2.gz HFXXHTGOXWWLMF-IACUBPJLSA-N 2 0 266.454 2.965 10 0 CFAERP CC(C)CN(CC[NH+](C)C)Cc1ccoc1C[NH2+]C(C)C ZINC000052503332 519717052 /nfs/dbraw/zinc/71/70/52/519717052.db2.gz AKCHRBLROOMMKK-UHFFFAOYSA-N 2 0 295.471 2.797 10 0 CFAERP CC(C)[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)C(C)C)on1 ZINC000052478486 519726019 /nfs/dbraw/zinc/72/60/19/519726019.db2.gz LAIBTXCALYFNEB-LBPRGKRZSA-N 2 0 253.390 2.649 10 0 CFAERP CCC1CC[NH+](Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000052347084 519859392 /nfs/dbraw/zinc/85/93/92/519859392.db2.gz PLRHDLOFFFEIDE-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182298 519912117 /nfs/dbraw/zinc/91/21/17/519912117.db2.gz KDKMANXEMHCJND-AWEZNQCLSA-N 2 0 270.461 2.759 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182063 519913114 /nfs/dbraw/zinc/91/31/14/519913114.db2.gz FEGLKFPGPDFSTB-GJZGRUSLSA-N 2 0 268.445 2.513 10 0 CFAERP CCC[NH2+]C[C@@](C)(CCC)C[N@H+](CC)CCOC ZINC000051254629 519929238 /nfs/dbraw/zinc/92/92/38/519929238.db2.gz XQNUKJITYFZIDQ-OAHLLOKOSA-N 2 0 258.450 2.761 10 0 CFAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453165 519959352 /nfs/dbraw/zinc/95/93/52/519959352.db2.gz VRQXBZHQLOSNFT-ZDUSSCGKSA-N 2 0 268.426 2.717 10 0 CFAERP CC[NH2+]Cc1nc(C[N@H+](CC)[C@H](C)CC)cs1 ZINC000052450721 520021841 /nfs/dbraw/zinc/02/18/41/520021841.db2.gz FRLAFHKQOOUNPK-LLVKDONJSA-N 2 0 255.431 2.873 10 0 CFAERP CCO[C@@H](C[NH3+])CC[N@H+](Cc1ccccc1)C(C)C ZINC000062740779 520306625 /nfs/dbraw/zinc/30/66/25/520306625.db2.gz FXCYPBVTIZBEHB-MRXNPFEDSA-N 2 0 264.413 2.651 10 0 CFAERP CCC(CC)[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181722 521543545 /nfs/dbraw/zinc/54/35/45/521543545.db2.gz PBGGFGYKXYQCIF-UHFFFAOYSA-N 2 0 270.461 2.902 10 0 CFAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(C)o1 ZINC000052373468 522108168 /nfs/dbraw/zinc/10/81/68/522108168.db2.gz CINYDHBTQAHOHC-RYUDHWBXSA-N 2 0 250.386 2.928 10 0 CFAERP CC(C)(C)C1CC[NH+](CC2(C[NH3+])CCOCC2)CC1 ZINC000052182096 518607202 /nfs/dbraw/zinc/60/72/02/518607202.db2.gz REXYIEAPMLMPEP-UHFFFAOYSA-N 2 0 268.445 2.500 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481912 519727606 /nfs/dbraw/zinc/72/76/06/519727606.db2.gz WMBLWOZMCFRESB-UHFFFAOYSA-N 2 0 276.424 2.795 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180453 519742802 /nfs/dbraw/zinc/74/28/02/519742802.db2.gz VTKZQRCABLDOST-OAHLLOKOSA-N 2 0 268.445 2.513 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180455 519742829 /nfs/dbraw/zinc/74/28/29/519742829.db2.gz VTKZQRCABLDOST-HNNXBMFYSA-N 2 0 268.445 2.513 10 0 CFAERP CC(C)C[NH2+]CCCCC[N@@H+]1CCOCC1(C)C ZINC000052546173 519743401 /nfs/dbraw/zinc/74/34/01/519743401.db2.gz WVKPSNRYQDUMEQ-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507804 519744092 /nfs/dbraw/zinc/74/40/92/519744092.db2.gz XKKGLRQHVUPHFH-CABCVRRESA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[C@@H](C[NH+](C)C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049559069 519776307 /nfs/dbraw/zinc/77/63/07/519776307.db2.gz AZNPMBBYVSHMGJ-LBPRGKRZSA-N 2 0 278.375 2.906 10 0 CFAERP CC(C)[C@H](C[NH2+]C(C)(C)C)OC1CC[NH+](C)CC1 ZINC000052596462 519815857 /nfs/dbraw/zinc/81/58/57/519815857.db2.gz HXUQFKAZQRVPCP-AWEZNQCLSA-N 2 0 256.434 2.510 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCN2CCCCC2)CC1 ZINC000049574796 519847895 /nfs/dbraw/zinc/84/78/95/519847895.db2.gz OPXZPNZBWVUWGJ-MRXNPFEDSA-N 2 0 281.488 2.572 10 0 CFAERP CCC[NH+]1CCN(CC2(C[NH2+]C3CC3)CCCCC2)CC1 ZINC000051207506 519857668 /nfs/dbraw/zinc/85/76/68/519857668.db2.gz DLACBFJTLKDHEE-UHFFFAOYSA-N 2 0 293.499 2.717 10 0 CFAERP CCC[NH+]1CCN(Cc2ccoc2C[NH2+]CC(C)C)CC1 ZINC000052422086 519859205 /nfs/dbraw/zinc/85/92/05/519859205.db2.gz IDTJMSRAFCVYHL-UHFFFAOYSA-N 2 0 293.455 2.553 10 0 CFAERP CCCC1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000050893886 519902133 /nfs/dbraw/zinc/90/21/33/519902133.db2.gz JYPXNCQTNODVLT-UHFFFAOYSA-N 2 0 259.397 2.983 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC)CCOC)CCCC1 ZINC000051254649 519909759 /nfs/dbraw/zinc/90/97/59/519909759.db2.gz HPIAOJTYVZSFTL-UHFFFAOYSA-N 2 0 256.434 2.515 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC)Cc2ccccc2)CCOCC1 ZINC000052181156 519912577 /nfs/dbraw/zinc/91/25/77/519912577.db2.gz LQOFHCBELMAHPV-UHFFFAOYSA-N 2 0 290.451 2.915 10 0 CFAERP CCC[NH2+]CCC[C@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000052510952 519913044 /nfs/dbraw/zinc/91/30/44/519913044.db2.gz RTVZABMWRKUDCE-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H](OCCC)C1 ZINC000052371678 519919580 /nfs/dbraw/zinc/91/95/80/519919580.db2.gz RQCBMZJDVXMBSD-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541688 519928164 /nfs/dbraw/zinc/92/81/64/519928164.db2.gz UWOQHKSPWNUYPJ-CYBMUJFWSA-N 2 0 250.386 2.515 10 0 CFAERP CCC[NH2+]C[C@H](c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052419947 519934252 /nfs/dbraw/zinc/93/42/52/519934252.db2.gz HQJJODNXHXVIRU-GOSISDBHSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+]C[C@H](c1ccccc1)N1CC[NH+](CCC)CC1 ZINC000052422101 519935025 /nfs/dbraw/zinc/93/50/25/519935025.db2.gz BYIOGHKXVDHYNF-GOSISDBHSA-N 2 0 289.467 2.755 10 0 CFAERP CCC[NH2+]Cc1cc(COCCC[NH+](C)C)c(C)o1 ZINC000052672676 519944863 /nfs/dbraw/zinc/94/48/63/519944863.db2.gz LLFRHURWCURQML-UHFFFAOYSA-N 2 0 268.401 2.556 10 0 CFAERP CCC[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000052380771 519950078 /nfs/dbraw/zinc/95/00/78/519950078.db2.gz CZTNKDFJDWORFM-HUUCEWRRSA-N 2 0 276.424 2.795 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CC2CCCCC2)O1 ZINC000052346819 519953174 /nfs/dbraw/zinc/95/31/74/519953174.db2.gz WPHHLDODCQENBA-JKSUJKDBSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH2+]Cc1cc(CN(CC[NH+](C)C)CC(C)C)oc1C ZINC000052503315 519988156 /nfs/dbraw/zinc/98/81/56/519988156.db2.gz HDFZJASOKTUMNH-UHFFFAOYSA-N 2 0 295.471 2.717 10 0 CFAERP CCC[NH2+][C@H](C)c1ccc(F)cc1OCC[NH+](C)C ZINC000062747449 520065281 /nfs/dbraw/zinc/06/52/81/520065281.db2.gz TVOAQCNFUCNMBS-GFCCVEGCSA-N 2 0 268.376 2.827 10 0 CFAERP CC1(C)CC[NH+](CCOc2ccc(C[NH3+])cc2)CC1 ZINC000061818698 520377864 /nfs/dbraw/zinc/37/78/64/520377864.db2.gz UQFCMSIDOKJVMZ-UHFFFAOYSA-N 2 0 262.397 2.646 10 0 CFAERP CCO[C@H]1CCC[N@H+](CC(C)(C)C[NH2+]C(C)(C)C)C1 ZINC000051285698 520524575 /nfs/dbraw/zinc/52/45/75/520524575.db2.gz IUEHCJYCZKHTEI-AWEZNQCLSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[C@@H](C)[N@H+](C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181875 520646136 /nfs/dbraw/zinc/64/61/36/520646136.db2.gz SOSBMMPUYNHZQR-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[C@@H](C)[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052480648 520646325 /nfs/dbraw/zinc/64/63/25/520646325.db2.gz JQGKMPAATVNABD-CQSZACIVSA-N 2 0 264.413 2.905 10 0 CFAERP CC[NH+](CC)CCc1nc2c(s1)[C@@H]([NH2+]C)CCC2 ZINC000050330061 520711616 /nfs/dbraw/zinc/71/16/16/520711616.db2.gz IXLHZZIPOZEQLD-NSHDSACASA-N 2 0 267.442 2.624 10 0 CFAERP CC[N@H+](CCCC[NH2+]CCOC)C1CCCCC1 ZINC000053498858 521004314 /nfs/dbraw/zinc/00/43/14/521004314.db2.gz USHRQLBJYJOSMD-UHFFFAOYSA-N 2 0 256.434 2.657 10 0 CFAERP CC[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccncc1 ZINC000050953415 521042743 /nfs/dbraw/zinc/04/27/43/521042743.db2.gz HZGYKZIJEJARGF-MRXNPFEDSA-N 2 0 261.413 2.826 10 0 CFAERP CC[N@@H+](Cc1cc(C[NH2+]C(C)C)no1)CC(C)C ZINC000052449670 521288524 /nfs/dbraw/zinc/28/85/24/521288524.db2.gz UQMAUBUESFFYOQ-UHFFFAOYSA-N 2 0 253.390 2.651 10 0 CFAERP CCC(C)(C)[N@H+](C)C[C@@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069443749 521304942 /nfs/dbraw/zinc/30/49/42/521304942.db2.gz YTOIAOJGCFKLQV-INIZCTEOSA-N 2 0 270.461 2.759 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050558521 521566190 /nfs/dbraw/zinc/56/61/90/521566190.db2.gz GPBDGOULZQFVGH-KRWDZBQOSA-N 2 0 293.430 2.550 10 0 CFAERP CCC[N@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052448374 521610564 /nfs/dbraw/zinc/61/05/64/521610564.db2.gz CHRVBKJLNGFLNN-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CCC[N@H+](Cc1cc(C[NH2+]C(C)C)no1)C(C)C ZINC000052450349 521680846 /nfs/dbraw/zinc/68/08/46/521680846.db2.gz BPGRJAVOPFKYSN-UHFFFAOYSA-N 2 0 253.390 2.793 10 0 CFAERP CC[C@@H](C)[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052444154 522061235 /nfs/dbraw/zinc/06/12/35/522061235.db2.gz QAEAMYDKUFCHLX-CYBMUJFWSA-N 2 0 250.386 2.515 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000052378791 522139926 /nfs/dbraw/zinc/13/99/26/522139926.db2.gz UPLBFDFQTHHQAW-AWEZNQCLSA-N 2 0 262.397 2.659 10 0 CFAERP C[NH2+]Cc1coc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000052373106 522147925 /nfs/dbraw/zinc/14/79/25/522147925.db2.gz WEBFEJFHXWOCEA-INIZCTEOSA-N 2 0 270.376 2.989 10 0 CFAERP C[NH2+]Cc1occc1C[N@@H+]1CCc2ccccc2C1 ZINC000052419110 522164201 /nfs/dbraw/zinc/16/42/01/522164201.db2.gz LXMJPVSAHCTHQX-UHFFFAOYSA-N 2 0 256.349 2.557 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000061699548 522449547 /nfs/dbraw/zinc/44/95/47/522449547.db2.gz ZCFQHJFWTDUXHA-SNVBAGLBSA-N 2 0 256.777 2.561 10 0 CFAERP CC[C@@H](C[NH2+]CC(C)C)OCC[NH+]1CCCCC1 ZINC000052670708 522548610 /nfs/dbraw/zinc/54/86/10/522548610.db2.gz FMFDJPKAGUQOPB-HNNXBMFYSA-N 2 0 256.434 2.513 10 0 CFAERP CC[C@H](C)[NH+]1CCN([C@H](c2cccs2)[C@@H](C)[NH3+])CC1 ZINC000055063953 523959108 /nfs/dbraw/zinc/95/91/08/523959108.db2.gz LDPHONRGMLYGMA-GUTXKFCHSA-N 2 0 281.469 2.553 10 0 CFAERP C[C@H](CCC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417337 524143200 /nfs/dbraw/zinc/14/32/00/524143200.db2.gz IYOJLUNKTSTJGO-MRXNPFEDSA-N 2 0 287.451 2.729 10 0 CFAERP C[C@@H]1CCC[N@H+](CCOc2ccccc2C[NH3+])[C@@H]1C ZINC000050563608 524229925 /nfs/dbraw/zinc/22/99/25/524229925.db2.gz DHPCNWFKEBMCDF-ZIAGYGMSSA-N 2 0 262.397 2.645 10 0 CFAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCOc1ccccc1 ZINC000061815909 524671341 /nfs/dbraw/zinc/67/13/41/524671341.db2.gz VLGAAEKUGDKYML-HUUCEWRRSA-N 2 0 262.397 2.515 10 0 CFAERP C[C@@H]1C[NH+](Cc2c3ccccc3sc2C[NH3+])C[C@@H](C)O1 ZINC000052380582 524981577 /nfs/dbraw/zinc/98/15/77/524981577.db2.gz DAENFDIVZHGLKT-VXGBXAGGSA-N 2 0 290.432 2.969 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccccc1C[NH3+] ZINC000050563609 525638869 /nfs/dbraw/zinc/63/88/69/525638869.db2.gz DHPCNWFKEBMCDF-UONOGXRCSA-N 2 0 262.397 2.645 10 0 CFAERP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(C)(C)CC1 ZINC000061818764 526156421 /nfs/dbraw/zinc/15/64/21/526156421.db2.gz LIDLQHINBYORNB-CYBMUJFWSA-N 2 0 289.423 2.594 10 0 CFAERP Cc1occc1C[N@@H+](C)[C@H](C)CCC[NH2+]C1CC1 ZINC000052346581 526826146 /nfs/dbraw/zinc/82/61/46/526826146.db2.gz LXXOQRJIQPCUPB-GFCCVEGCSA-N 2 0 250.386 2.941 10 0 CFAERP [NH3+]CCC[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669851 527180693 /nfs/dbraw/zinc/18/06/93/527180693.db2.gz QCGXIDNYYJBQDT-UHFFFAOYSA-N 2 0 252.361 2.619 10 0 CFAERP [NH3+]CCc1ccc(OCC[NH+]2Cc3ccccc3C2)cc1 ZINC000050910460 527196826 /nfs/dbraw/zinc/19/68/26/527196826.db2.gz ZJBXJBPOTPTKGP-UHFFFAOYSA-N 2 0 282.387 2.582 10 0 CFAERP [NH3+]Cc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000052443902 527247666 /nfs/dbraw/zinc/24/76/66/527247666.db2.gz DJLDCECSIDCGIM-UHFFFAOYSA-N 2 0 285.391 2.588 10 0 CFAERP CCC[C@@H]1CCOC2(CC[NH+](CC(C)C)CC2)[NH2+]1 ZINC000757141521 617797401 /nfs/dbraw/zinc/79/74/01/617797401.db2.gz KWYBCFPRKYTPGF-CQSZACIVSA-N 2 0 254.418 2.613 10 0 CFAERP CO[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCC2 ZINC000308393802 618207508 /nfs/dbraw/zinc/20/75/08/618207508.db2.gz NFUYELKLSQUAJQ-ZIAGYGMSSA-N 2 0 280.456 2.843 10 0 CFAERP C[C@]1(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697419 618286886 /nfs/dbraw/zinc/28/68/86/618286886.db2.gz CAEUMVPNBPGADH-SQNIBIBYSA-N 2 0 288.435 2.574 10 0 CFAERP [NH3+]C1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000094087860 650951754 /nfs/dbraw/zinc/95/17/54/650951754.db2.gz QCDWUNIKUGLYCJ-UHFFFAOYSA-N 2 0 250.411 2.638 10 0 CFAERP c1ccc(SCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129154417 645091460 /nfs/dbraw/zinc/09/14/60/645091460.db2.gz FLKMRAWXCNZCPR-CYBMUJFWSA-N 2 0 250.411 2.510 10 0 CFAERP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133895645 646252355 /nfs/dbraw/zinc/25/23/55/646252355.db2.gz FDEHTDAMWMGFIY-INIZCTEOSA-N 2 0 269.392 2.509 10 0 CFAERP CC[NH+](CC)CCc1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000082440852 178020408 /nfs/dbraw/zinc/02/04/08/178020408.db2.gz QPVAERQBTJNIEQ-UHFFFAOYSA-N 2 0 269.458 2.784 10 0 CFAERP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)s1 ZINC000086818859 179348885 /nfs/dbraw/zinc/34/88/85/179348885.db2.gz ZPWQWTUYAFVUBQ-DGCLKSJQSA-N 2 0 267.442 2.895 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000086817437 179344653 /nfs/dbraw/zinc/34/46/53/179344653.db2.gz BCJRZHHZWJHMFI-KRWDZBQOSA-N 2 0 287.451 2.513 10 0 CFAERP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC000086817407 179344984 /nfs/dbraw/zinc/34/49/84/179344984.db2.gz MWLCTOBQSLGYKP-BBRMVZONSA-N 2 0 289.423 2.780 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000086817387 179345121 /nfs/dbraw/zinc/34/51/21/179345121.db2.gz MAJPOLOTHHIASP-SWLSCSKDSA-N 2 0 250.361 2.961 10 0 CFAERP COc1ccc(C[NH+](C)C)cc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086817801 179345782 /nfs/dbraw/zinc/34/57/82/179345782.db2.gz SSQOIHSVMALZMJ-HNNXBMFYSA-N 2 0 291.439 2.653 10 0 CFAERP CCC[C@@H](COC)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086845520 179355752 /nfs/dbraw/zinc/35/57/52/179355752.db2.gz YCIHLXDBBBKSDJ-GJZGRUSLSA-N 2 0 256.434 2.654 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2ccc(C)cc2)CC1 ZINC000086848365 179356401 /nfs/dbraw/zinc/35/64/01/179356401.db2.gz GIOVWPVGIPNSRX-KRWDZBQOSA-N 2 0 275.440 2.635 10 0 CFAERP CCN(Cc1ccco1)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086847550 179357060 /nfs/dbraw/zinc/35/70/60/179357060.db2.gz XXQRORSARCXMTR-KRWDZBQOSA-N 2 0 293.455 2.693 10 0 CFAERP CC(C)[NH+]1CCC(N[C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086836800 179351205 /nfs/dbraw/zinc/35/12/05/179351205.db2.gz IRPKSTYQNBFPBV-INIZCTEOSA-N 2 0 281.488 2.712 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086840613 179353304 /nfs/dbraw/zinc/35/33/04/179353304.db2.gz CSMVTGHDVLDKTK-IAGOWNOFSA-N 2 0 283.504 2.815 10 0 CFAERP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000086840426 179354051 /nfs/dbraw/zinc/35/40/51/179354051.db2.gz BAJDKKYVMWSVLA-ZFWWWQNUSA-N 2 0 262.397 2.917 10 0 CFAERP CC[N@@H+]1CCC[C@H]([NH2+]CCOC2CCCCC2)CC1 ZINC000086845165 179354368 /nfs/dbraw/zinc/35/43/68/179354368.db2.gz CTUHRCBMEMNYCK-HNNXBMFYSA-N 2 0 268.445 2.800 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)C2CCCCC2)CC1 ZINC000086846325 179354945 /nfs/dbraw/zinc/35/49/45/179354945.db2.gz CYEMTMRRCOLLJY-KRWDZBQOSA-N 2 0 281.488 2.843 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000086848928 179357807 /nfs/dbraw/zinc/35/78/07/179357807.db2.gz SKMZUXFTXIAYHJ-SFHVURJKSA-N 2 0 293.499 2.702 10 0 CFAERP CCN(CC(C)C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846852 179355376 /nfs/dbraw/zinc/35/53/76/179355376.db2.gz HXTKWYIDZXXKIL-INIZCTEOSA-N 2 0 269.477 2.556 10 0 CFAERP CC(C)[N@@H+]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086850928 179357981 /nfs/dbraw/zinc/35/79/81/179357981.db2.gz WLPOQSXAEGFTQT-KRWDZBQOSA-N 2 0 287.451 2.859 10 0 CFAERP CC(C)[NH2+]CC[C@H](C[NH3+])c1cc(Br)cs1 ZINC000725269134 539626372 /nfs/dbraw/zinc/62/63/72/539626372.db2.gz LZBNKGURMGEKPS-SECBINFHSA-N 2 0 291.258 2.941 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400400985 348572452 /nfs/dbraw/zinc/57/24/52/348572452.db2.gz KRQFIYCROAAPKA-WHOHXGKFSA-N 2 0 264.335 2.695 10 0 CFAERP C[C@H](C[NH3+])CC[N@H+](C)Cc1cc(Br)cs1 ZINC000087999241 179534395 /nfs/dbraw/zinc/53/43/95/179534395.db2.gz SCKPTKUKQIWZPC-VIFPVBQESA-N 2 0 291.258 2.927 10 0 CFAERP [NH3+]C[C@H]1CCC[C@@H]1Nc1ccccc1C[NH+]1CCCC1 ZINC000089149369 179725434 /nfs/dbraw/zinc/72/54/34/179725434.db2.gz ZQOXUPXWYYBMAI-ZBFHGGJFSA-N 2 0 273.424 2.822 10 0 CFAERP [NH3+]CCN1CCCC[C@@H]1c1cccc2ccncc21 ZINC000616626627 352389874 /nfs/dbraw/zinc/38/98/74/352389874.db2.gz TWHUXCCHKJRUCF-MRXNPFEDSA-N 2 0 255.365 2.721 10 0 CFAERP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000630074854 354997803 /nfs/dbraw/zinc/99/78/03/354997803.db2.gz BKSLMYVWQQXNHP-YPMHNXCESA-N 2 0 252.789 2.675 10 0 CFAERP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839643 355602845 /nfs/dbraw/zinc/60/28/45/355602845.db2.gz IZFIBHXAXLGEJM-UTUOFQBUSA-N 2 0 252.789 2.928 10 0 CFAERP C[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180144546 189239619 /nfs/dbraw/zinc/23/96/19/189239619.db2.gz QKGVUALAOHDRCH-MIGBEJBISA-N 2 0 288.435 2.543 10 0 CFAERP O[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044841 189234235 /nfs/dbraw/zinc/23/42/35/189234235.db2.gz XOHCTJDVRJYQHX-ZWKOTPCHSA-N 2 0 288.435 2.574 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CCC(F)(F)CC1 ZINC000423265389 299378793 /nfs/dbraw/zinc/37/87/93/299378793.db2.gz CXABCFRXCLGBNZ-CYZMBNFOSA-N 2 0 260.372 2.917 10 0 CFAERP C[C@@H]([NH2+]CC1C2CC3CC(C2)CC1C3)[C@H]1CC[NH2+]C1 ZINC000422985586 296120448 /nfs/dbraw/zinc/12/04/48/296120448.db2.gz FKAWAFVQCDJRCG-KJGVXDFPSA-N 2 0 262.441 2.646 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000400399002 296150962 /nfs/dbraw/zinc/15/09/62/296150962.db2.gz PZDASDNAVAJOTN-LOWVWBTDSA-N 2 0 252.789 2.989 10 0 CFAERP C[N@H+](CCC[NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000094087843 375341883 /nfs/dbraw/zinc/34/18/83/375341883.db2.gz YWSVNVSSOOXYQC-UHFFFAOYSA-N 3 0 267.461 2.501 10 0 CFAERP C[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261508139 190040114 /nfs/dbraw/zinc/04/01/14/190040114.db2.gz PYTOABHAZVOTRP-YPMHNXCESA-N 2 0 272.314 2.527 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCC(C)CC2)CC1 ZINC000121154557 376770427 /nfs/dbraw/zinc/77/04/27/376770427.db2.gz JAOOSSDNMTYUQG-CGZBRXJRSA-N 2 0 296.499 2.837 10 0 CFAERP C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133928035 377968031 /nfs/dbraw/zinc/96/80/31/377968031.db2.gz OFMLEPYMCWMSOG-RHSMWYFYSA-N 2 0 287.451 2.715 10 0 CFAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151281906 378313883 /nfs/dbraw/zinc/31/38/83/378313883.db2.gz HUNRGEZKFISLNZ-ULQDDVLXSA-N 2 0 282.472 2.638 10 0 CFAERP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3cccnc3)C2)n1 ZINC000172159041 379505458 /nfs/dbraw/zinc/50/54/58/379505458.db2.gz VGQXKQNPXIVENF-KRWDZBQOSA-N 2 0 296.418 2.762 10 0 CFAERP C[C@H]([NH2+]Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400337333 380857019 /nfs/dbraw/zinc/85/70/19/380857019.db2.gz HTGNPHIHQFRVBC-JQWIXIFHSA-N 2 0 283.213 2.537 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400428542 380858776 /nfs/dbraw/zinc/85/87/76/380858776.db2.gz ZJVBENCXABWMOQ-UHTWSYAYSA-N 2 0 252.427 2.575 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000400436861 380859226 /nfs/dbraw/zinc/85/92/26/380859226.db2.gz MYDGCTDAUCVUMI-MWLCHTKSSA-N 2 0 256.752 2.567 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000400436858 380859851 /nfs/dbraw/zinc/85/98/51/380859851.db2.gz MYDGCTDAUCVUMI-GXSJLCMTSA-N 2 0 256.752 2.567 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400428544 380860151 /nfs/dbraw/zinc/86/01/51/380860151.db2.gz ZJVBENCXABWMOQ-WCFLWFBJSA-N 2 0 252.427 2.575 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000400446981 380861515 /nfs/dbraw/zinc/86/15/15/380861515.db2.gz PVYMNBGCTVKMFK-DTWKUNHWSA-N 2 0 289.242 2.598 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400447687 380862064 /nfs/dbraw/zinc/86/20/64/380862064.db2.gz PZDASDNAVAJOTN-MDZLAQPJSA-N 2 0 252.789 2.989 10 0 CFAERP O[C@H](C[NH2+]CCCC1CCCCC1)C[NH+]1CCCCC1 ZINC000347879454 381396753 /nfs/dbraw/zinc/39/67/53/381396753.db2.gz OBLPUUSEOHIWBN-QGZVFWFLSA-N 2 0 282.472 2.783 10 0 CFAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12CC[NH2+]C[C@H]2C ZINC000306159941 382453984 /nfs/dbraw/zinc/45/39/84/382453984.db2.gz SAXVOWYQSQSZGA-VYDXJSESSA-N 2 0 258.409 2.897 10 0 CFAERP CCN1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000389535534 382615694 /nfs/dbraw/zinc/61/56/94/382615694.db2.gz JDLMEENYLYCQMY-GFCCVEGCSA-N 2 0 298.814 2.541 10 0 CFAERP CN(Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231453976 382864882 /nfs/dbraw/zinc/86/48/82/382864882.db2.gz SRZHRLTXEPTJOQ-ZDUSSCGKSA-N 2 0 254.324 2.539 10 0 CFAERP Cc1ccc(F)c(CN(C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000234328236 382873946 /nfs/dbraw/zinc/87/39/46/382873946.db2.gz CZMPESRRKYDZSF-CYBMUJFWSA-N 2 0 250.361 2.566 10 0 CFAERP C[C@@H]1CC(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000423097664 383042447 /nfs/dbraw/zinc/04/24/47/383042447.db2.gz JOVJYQFAHWNSQU-YQPCPPDFSA-N 2 0 274.408 2.924 10 0 CFAERP CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000635000362 383457026 /nfs/dbraw/zinc/45/70/26/383457026.db2.gz MUXVZYBJVOOUOZ-HIFRSBDPSA-N 2 0 262.397 2.502 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569093368 383466521 /nfs/dbraw/zinc/46/65/21/383466521.db2.gz LXOFYPZOXCLIGC-SOLBZPMBSA-N 2 0 290.451 2.960 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569093365 383466558 /nfs/dbraw/zinc/46/65/58/383466558.db2.gz LXOFYPZOXCLIGC-JFIYKMOQSA-N 2 0 290.451 2.960 10 0 CFAERP C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261625604 383530505 /nfs/dbraw/zinc/53/05/05/383530505.db2.gz DICXHHFSYABDPJ-QGTPRVQTSA-N 2 0 281.403 2.817 10 0 CFAERP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc2[nH+]1 ZINC000261870640 383573059 /nfs/dbraw/zinc/57/30/59/383573059.db2.gz ZATBPKNTTRTHHH-CFVMTHIKSA-N 2 0 267.376 2.717 10 0 CFAERP Cc1ccc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000261957435 383586016 /nfs/dbraw/zinc/58/60/16/383586016.db2.gz OUVNHXFKGPIGRV-HNNXBMFYSA-N 2 0 273.424 2.569 10 0 CFAERP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261863969 383571231 /nfs/dbraw/zinc/57/12/31/383571231.db2.gz RMZZNDGSNMESFL-MSOLQXFVSA-N 2 0 281.403 2.564 10 0 CFAERP C[C@@H]([NH2+]CC(C)(C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643460671 384643111 /nfs/dbraw/zinc/64/31/11/384643111.db2.gz AXEXCSTWAPAPPC-HUUCEWRRSA-N 2 0 260.425 2.942 10 0 CFAERP C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000381735745 393567069 /nfs/dbraw/zinc/56/70/69/393567069.db2.gz TWZVPQVCNUQJJC-FRRDWIJNSA-N 2 0 260.372 2.729 10 0 CFAERP CN(Cc1cccc2c1OC(C)(C)C2)[C@@H]1CCC[NH2+]CC1 ZINC000231460048 393781021 /nfs/dbraw/zinc/78/10/21/393781021.db2.gz BQYZIUSBIUKZGL-MRXNPFEDSA-N 2 0 288.435 2.974 10 0 CFAERP COc1cc(C)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000231461598 393781664 /nfs/dbraw/zinc/78/16/64/393781664.db2.gz SBZZPQRRARWGKJ-OAHLLOKOSA-N 2 0 292.423 2.586 10 0 CFAERP CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249311151 393921548 /nfs/dbraw/zinc/92/15/48/393921548.db2.gz DUHMTXYTFCHRNE-DLBZAZTESA-N 2 0 282.472 2.735 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]12 ZINC000389222808 397539768 /nfs/dbraw/zinc/53/97/68/397539768.db2.gz WYBLVYSWJKIGBF-BHYGNILZSA-N 2 0 256.393 2.733 10 0 CFAERP CCO[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)C12CCCC2 ZINC000178974804 286332072 /nfs/dbraw/zinc/33/20/72/286332072.db2.gz UYJMARFUNRXXPG-JKSUJKDBSA-N 2 0 280.456 2.656 10 0 CFAERP C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CC[NH2+]C1 ZINC000400444247 287011244 /nfs/dbraw/zinc/01/12/44/287011244.db2.gz PDNAZYMOIMZOBL-QYNFOATHSA-N 2 0 264.335 2.695 10 0 CFAERP COc1ccccc1[C@@H](CCC[NH3+])[NH+]1CCCCC1 ZINC000019674187 170836634 /nfs/dbraw/zinc/83/66/34/170836634.db2.gz UOQBKJIZZFHZQP-OAHLLOKOSA-N 2 0 262.397 2.961 10 0 CFAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000020128337 171014906 /nfs/dbraw/zinc/01/49/06/171014906.db2.gz QFSGRQMINJWKSV-DLBZAZTESA-N 2 0 295.515 2.818 10 0 CFAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020179640 171044306 /nfs/dbraw/zinc/04/43/06/171044306.db2.gz KZJPCHTZAKMVEU-MRXNPFEDSA-N 2 0 295.858 2.613 10 0 CFAERP [NH3+]C[C@H](c1cccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225352 171087365 /nfs/dbraw/zinc/08/73/65/171087365.db2.gz ITQRRJWQLLUFIZ-OAHLLOKOSA-N 2 0 293.480 2.556 10 0 CFAERP Cc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc(C)c1O ZINC000020305283 171141614 /nfs/dbraw/zinc/14/16/14/171141614.db2.gz PBUZHTRISNMKKP-UHFFFAOYSA-N 2 0 264.413 2.686 10 0 CFAERP CCCCCC[C@](C)(C[NH3+])N1CC[NH+](CCC)CC1 ZINC000020362602 171161519 /nfs/dbraw/zinc/16/15/19/171161519.db2.gz MIYJLSITQVBKRH-MRXNPFEDSA-N 2 0 269.477 2.702 10 0 CFAERP Cc1ccc(OC[C@H](CC[NH3+])[NH+]2CCCCC2)cc1 ZINC000020402226 171182392 /nfs/dbraw/zinc/18/23/92/171182392.db2.gz LSEMHAKUCQDERV-HNNXBMFYSA-N 2 0 262.397 2.577 10 0 CFAERP C[NH2+]Cc1cc(Cl)cc(Cl)c1OCC[NH+](C)C ZINC000035661965 172340162 /nfs/dbraw/zinc/34/01/62/172340162.db2.gz UENJQPODLWLCGW-UHFFFAOYSA-N 2 0 277.195 2.653 10 0 CFAERP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000037221932 173041814 /nfs/dbraw/zinc/04/18/14/173041814.db2.gz NVFKUCIVSKYEOY-OCCSQVGLSA-N 2 0 250.361 2.646 10 0 CFAERP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000665283245 414247523 /nfs/dbraw/zinc/24/75/23/414247523.db2.gz JWQIKJWWBFZOBY-FVQBIDKESA-N 2 0 268.445 2.559 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000037705670 173627251 /nfs/dbraw/zinc/62/72/51/173627251.db2.gz UTWMRIKDXNXZFB-CQSZACIVSA-N 2 0 262.397 2.832 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000038041939 174044254 /nfs/dbraw/zinc/04/42/54/174044254.db2.gz IKRWTBABHURSKU-KZNAEPCWSA-N 2 0 295.515 2.818 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)C1 ZINC000040502619 174298712 /nfs/dbraw/zinc/29/87/12/174298712.db2.gz KGASVIPWUVWDJT-IXDOHACOSA-N 2 0 281.488 2.571 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000040593383 174347777 /nfs/dbraw/zinc/34/77/77/174347777.db2.gz NPIRFBJJVNRUIQ-CYBMUJFWSA-N 2 0 257.381 2.599 10 0 CFAERP CCOC1CC[NH+]([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000040689329 174376238 /nfs/dbraw/zinc/37/62/38/174376238.db2.gz KKIQFNRJKOKVEY-LSDHHAIUSA-N 2 0 254.418 2.537 10 0 CFAERP CCOC1CC[NH+](CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000040690171 174376966 /nfs/dbraw/zinc/37/69/66/174376966.db2.gz VPAASLNJUZWUPM-INIZCTEOSA-N 2 0 262.397 2.577 10 0 CFAERP C[C@H]1CCC[C@](C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040693869 174377794 /nfs/dbraw/zinc/37/77/94/174377794.db2.gz OYULGHLCDZFJKF-WMZOPIPTSA-N 2 0 293.499 2.844 10 0 CFAERP CC1CCC(C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000040693823 174377934 /nfs/dbraw/zinc/37/79/34/174377934.db2.gz SRQDMOKLEAVGDI-UHFFFAOYSA-N 2 0 293.499 2.844 10 0 CFAERP COc1ccc(OC)c([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749051 174393596 /nfs/dbraw/zinc/39/35/96/174393596.db2.gz UUIZPCRGYGEKFH-RLAWYHOSSA-N 2 0 290.407 2.719 10 0 CFAERP COc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749358 174393697 /nfs/dbraw/zinc/39/36/97/174393697.db2.gz RLNDVIMFCJQSHZ-RLAWYHOSSA-N 2 0 260.381 2.710 10 0 CFAERP CCCN(c1cc(C)nc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748878 174394007 /nfs/dbraw/zinc/39/40/07/174394007.db2.gz CLVYAWCPVNXVNM-YIONKMFJSA-N 2 0 274.412 2.593 10 0 CFAERP C[C@H](c1nc2ccccc2n1C)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749339 174394046 /nfs/dbraw/zinc/39/40/46/174394046.db2.gz LTWHOGSFXNHTCO-RLAWYHOSSA-N 2 0 284.407 2.588 10 0 CFAERP CC[NH+](CC)CCc1nc(C)c([C@H](C)[NH2+]C)s1 ZINC000040994235 174446285 /nfs/dbraw/zinc/44/62/85/174446285.db2.gz OWICRXBEBPYJLH-JTQLQIEISA-N 2 0 255.431 2.616 10 0 CFAERP Cc1ccsc1[C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000042744947 174864519 /nfs/dbraw/zinc/86/45/19/174864519.db2.gz INRIPMKKZOZGJT-CQSZACIVSA-N 2 0 283.485 2.576 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC000042815040 174885859 /nfs/dbraw/zinc/88/58/59/174885859.db2.gz STYBXMINXDKILR-GOEBONIOSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC1 ZINC000042915703 174915577 /nfs/dbraw/zinc/91/55/77/174915577.db2.gz YESZMMGAFPCSOJ-CXAGYDPISA-N 2 0 293.430 2.630 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N(C)C1CC[NH+](CC)CC1 ZINC000043124002 174977115 /nfs/dbraw/zinc/97/71/15/174977115.db2.gz JPCSBEPEMNRLDM-HOTGVXAUSA-N 2 0 295.496 2.943 10 0 CFAERP CC[C@H]([NH3+])[C@@H](N(C)C1CC[NH+](CC)CC1)C(C)(C)C ZINC000043294573 174998987 /nfs/dbraw/zinc/99/89/87/174998987.db2.gz AWENABXDSNBIFO-LSDHHAIUSA-N 2 0 269.477 2.555 10 0 CFAERP CCCC[C@H](CC)C[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000043454514 175050079 /nfs/dbraw/zinc/05/00/79/175050079.db2.gz RIOKDWCNGAFQBZ-INIZCTEOSA-N 2 0 269.477 2.559 10 0 CFAERP C[C@@H](C[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043534560 175062856 /nfs/dbraw/zinc/06/28/56/175062856.db2.gz RALPOHMFIZQUJD-MAUKXSAKSA-N 2 0 289.467 2.534 10 0 CFAERP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000043559861 175065899 /nfs/dbraw/zinc/06/58/99/175065899.db2.gz GBPPJJXEELRSJO-IHRRRGAJSA-N 2 0 289.423 2.606 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CCC[C@H]1CCC[NH2+]C1 ZINC000043592033 175074377 /nfs/dbraw/zinc/07/43/77/175074377.db2.gz LFBIYWZZIQUYHZ-ZIAGYGMSSA-N 2 0 250.386 2.580 10 0 CFAERP CCC[NH+]1CCN([C@@H]2C[C@H](CC)CC[C@@H]2[NH2+]CC)CC1 ZINC000043805507 175107523 /nfs/dbraw/zinc/10/75/23/175107523.db2.gz QHLGYRNPSIUEIY-IXDOHACOSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(CC)cc2)CC1 ZINC000043805381 175107533 /nfs/dbraw/zinc/10/75/33/175107533.db2.gz FMPSPTJGSVZEFL-SFHVURJKSA-N 2 0 289.467 2.537 10 0 CFAERP CCC[NH+]1CCN([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805303 175107623 /nfs/dbraw/zinc/10/76/23/175107623.db2.gz RVKSIFYZYIZAQD-IKGGRYGDSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH+]1CCN(C[C@@H]([NH2+]CC)c2ccc(C)cc2)CC1 ZINC000043805455 175107659 /nfs/dbraw/zinc/10/76/59/175107659.db2.gz NFNGPHHCWABRQK-GOSISDBHSA-N 2 0 289.467 2.673 10 0 CFAERP CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](CC)CC1 ZINC000043806066 175108345 /nfs/dbraw/zinc/10/83/45/175108345.db2.gz XSMIRBXRPZZKEB-WMZOPIPTSA-N 2 0 289.467 2.672 10 0 CFAERP CCCc1ccc([C@@H](CN2CC[NH+](CC)CC2)[NH2+]C)cc1 ZINC000043805850 175108594 /nfs/dbraw/zinc/10/85/94/175108594.db2.gz SOXKTQCDEDTJHL-GOSISDBHSA-N 2 0 289.467 2.537 10 0 CFAERP CCc1ccc([C@H]([NH2+]C)[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000043805924 175108613 /nfs/dbraw/zinc/10/86/13/175108613.db2.gz PUVXEEFTMIYPMU-CRAIPNDOSA-N 2 0 289.467 2.536 10 0 CFAERP CCCc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+]CC)cc1 ZINC000043810819 175110215 /nfs/dbraw/zinc/11/02/15/175110215.db2.gz APTFTVXZOIPSRR-GOSISDBHSA-N 2 0 289.467 2.537 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[NH+]1CCCCCC1)OCCO2 ZINC000043812305 175110796 /nfs/dbraw/zinc/11/07/96/175110796.db2.gz WRCTZFUIMRJMOP-HZPDHXFCSA-N 2 0 296.455 2.526 10 0 CFAERP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000043815258 175111621 /nfs/dbraw/zinc/11/16/21/175111621.db2.gz PNORISTVBCPOKO-MSOLQXFVSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815298 175112643 /nfs/dbraw/zinc/11/26/43/175112643.db2.gz FCILCAZJHYYHHT-CRAIPNDOSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818584 175113744 /nfs/dbraw/zinc/11/37/44/175113744.db2.gz MGFXLEOCCPOJIF-HOTGVXAUSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccccc1C ZINC000043818578 175113779 /nfs/dbraw/zinc/11/37/79/175113779.db2.gz NVJSSFPQILFGBF-GOSISDBHSA-N 2 0 289.467 2.673 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890181 175117979 /nfs/dbraw/zinc/11/79/79/175117979.db2.gz IICBOGBISMEWTA-HOTGVXAUSA-N 2 0 268.445 2.798 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897153 175119877 /nfs/dbraw/zinc/11/98/77/175119877.db2.gz RMGRGMVKVUJHJF-ULQDDVLXSA-N 2 0 281.488 2.569 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1C ZINC000043897104 175119965 /nfs/dbraw/zinc/11/99/65/175119965.db2.gz HAFCXJUKNDTVFN-GOSISDBHSA-N 2 0 289.467 2.672 10 0 CFAERP CCc1ccc([C@H](CN2CCC([NH+](C)C)CC2)[NH2+]C)cc1 ZINC000043897348 175120153 /nfs/dbraw/zinc/12/01/53/175120153.db2.gz JIDFKUHQTBDMAS-SFHVURJKSA-N 2 0 289.467 2.536 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897164 175120176 /nfs/dbraw/zinc/12/01/76/175120176.db2.gz OEHNOINPAJJAAM-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897471 175120603 /nfs/dbraw/zinc/12/06/03/175120603.db2.gz PFUXOYPQPRIAPW-CVEARBPZSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904899 175122516 /nfs/dbraw/zinc/12/25/16/175122516.db2.gz VCSJXSGLFIJAGM-ARFHVFGLSA-N 2 0 296.455 2.525 10 0 CFAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965446 175126527 /nfs/dbraw/zinc/12/65/27/175126527.db2.gz OTYDREYFEKYNPB-DOTOQJQBSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970769 175132141 /nfs/dbraw/zinc/13/21/41/175132141.db2.gz PTQRGVJYPAFPEI-MRXNPFEDSA-N 2 0 283.504 2.674 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@H](CC)N(CCOC)[C@@H](C)COC ZINC000043975891 175132545 /nfs/dbraw/zinc/13/25/45/175132545.db2.gz WBJVJJJOQSROIT-JYJNAYRXSA-N 2 0 288.476 2.527 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000043978127 175133552 /nfs/dbraw/zinc/13/35/52/175133552.db2.gz QRQWVALVGYGAMM-CVEARBPZSA-N 2 0 269.477 2.569 10 0 CFAERP Cc1ccc([C@@H](O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000044169977 175148844 /nfs/dbraw/zinc/14/88/44/175148844.db2.gz CUQRETGIZSCHJU-QAPCUYQASA-N 2 0 290.451 2.691 10 0 CFAERP Cc1ccc([C@@H](O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000044169987 175148854 /nfs/dbraw/zinc/14/88/54/175148854.db2.gz CUQRETGIZSCHJU-YJBOKZPZSA-N 2 0 290.451 2.691 10 0 CFAERP C[NH+]1CCC(C[NH2+]Cc2ccccc2N2CCCC2)CC1 ZINC000044516507 175190449 /nfs/dbraw/zinc/19/04/49/175190449.db2.gz RWSLLYWJWRTNHC-UHFFFAOYSA-N 2 0 287.451 2.718 10 0 CFAERP CCc1cccc2c(C[N@@H+]3CCC[C@H](C[NH3+])C3)c[nH]c21 ZINC000044528018 175192911 /nfs/dbraw/zinc/19/29/11/175192911.db2.gz GQWOIMMXXXBJRS-CYBMUJFWSA-N 2 0 271.408 2.901 10 0 CFAERP COc1ccccc1C1CC([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000044533469 175196942 /nfs/dbraw/zinc/19/69/42/175196942.db2.gz QYSXWKPRYDGSPL-FHERZECASA-N 2 0 288.435 2.873 10 0 CFAERP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(O)cc1 ZINC000044534771 175197356 /nfs/dbraw/zinc/19/73/56/175197356.db2.gz ICRDGHJDJTXDCU-CZUORRHYSA-N 2 0 262.397 2.775 10 0 CFAERP COc1cc(C[NH2+]CCCC[N@H+](C)C(C)C)cc(OC)c1 ZINC000044583401 175210436 /nfs/dbraw/zinc/21/04/36/175210436.db2.gz NSFZFRQRLBWLHW-UHFFFAOYSA-N 2 0 294.439 2.914 10 0 CFAERP c1ccc([C@H]2C[C@H]2[NH2+]CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000044675901 175226942 /nfs/dbraw/zinc/22/69/42/175226942.db2.gz JKJTWLIWPOPPCT-USXIJHARSA-N 2 0 258.409 2.912 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045136019 175313312 /nfs/dbraw/zinc/31/33/12/175313312.db2.gz MCIJDSMNFMMFED-CYBMUJFWSA-N 2 0 272.396 2.657 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045380632 175369711 /nfs/dbraw/zinc/36/97/11/175369711.db2.gz NYJLKHPZPZFNIP-KRWDZBQOSA-N 2 0 299.503 2.912 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384163 175371201 /nfs/dbraw/zinc/37/12/01/175371201.db2.gz ZDJNGZLTFHBWKT-RDJZCZTQSA-N 2 0 297.487 2.665 10 0 CFAERP CCC[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000020129272 276257802 /nfs/dbraw/zinc/25/78/02/276257802.db2.gz XAFREDHFKCQSJO-SFHVURJKSA-N 2 0 289.467 2.753 10 0 CFAERP C[NH2+]CC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261552040 277265006 /nfs/dbraw/zinc/26/50/06/277265006.db2.gz LRIHNXFIKRXGNJ-ZDUSSCGKSA-N 2 0 260.372 2.743 10 0 CFAERP C(N[C@@H]1CCC[NH2+]CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000133561294 277721635 /nfs/dbraw/zinc/72/16/35/277721635.db2.gz QXMSILKXLXFUQH-QGZVFWFLSA-N 2 0 293.499 2.907 10 0 CFAERP Cc1c[nH+]ccc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261619193 279028417 /nfs/dbraw/zinc/02/84/17/279028417.db2.gz ULTYOKXTZGEKFX-MRXNPFEDSA-N 2 0 253.349 2.689 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCC[C@H]2C)CC1 ZINC000248443320 281022234 /nfs/dbraw/zinc/02/22/34/281022234.db2.gz BBQUBXNYWVOFES-SOLBZPMBSA-N 2 0 296.499 2.837 10 0 CFAERP Clc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000259031348 281111075 /nfs/dbraw/zinc/11/10/75/281111075.db2.gz ZSHNFGAEUQSSBW-SNVBAGLBSA-N 2 0 259.180 2.693 10 0 CFAERP [NH3+]CCC[C@@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000091301983 303380154 /nfs/dbraw/zinc/38/01/54/303380154.db2.gz IIKHFTFCOPHXPW-IBGZPJMESA-N 2 0 298.430 2.789 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197818 519719822 /nfs/dbraw/zinc/71/98/22/519719822.db2.gz NWXQBIJPEZTUOK-UHFFFAOYSA-N 2 0 282.472 2.902 10 0 CFAERP CC(C)[NH2+]Cc1cc(C[N@@H+]2CCCC[C@@H]2C)on1 ZINC000052378776 519726152 /nfs/dbraw/zinc/72/61/52/519726152.db2.gz QOKJUYZYBDWNLJ-LBPRGKRZSA-N 2 0 251.374 2.547 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)[C@@H]1CCSC1 ZINC000052453501 519743662 /nfs/dbraw/zinc/74/36/62/519743662.db2.gz AMKRZAOKIYAIGI-UONOGXRCSA-N 2 0 258.475 2.838 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479272 519744741 /nfs/dbraw/zinc/74/47/41/519744741.db2.gz BLULJXOXUQXVOW-BPUTZDHNSA-N 2 0 268.445 2.510 10 0 CFAERP CC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541689 519928692 /nfs/dbraw/zinc/92/86/92/519928692.db2.gz UWOQHKSPWNUYPJ-ZDUSSCGKSA-N 2 0 250.386 2.515 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+](CC(C)C)CC(C)C)O1 ZINC000052485033 519980475 /nfs/dbraw/zinc/98/04/75/519980475.db2.gz VCWTZFCFBDTMJK-HZPDHXFCSA-N 2 0 270.461 2.758 10 0 CFAERP CCC[NH2+][C@@H](C)CCCC[NH+]1CCC(OC)CC1 ZINC000045599791 519984681 /nfs/dbraw/zinc/98/46/81/519984681.db2.gz CLJJNPVMGZPPDF-AWEZNQCLSA-N 2 0 256.434 2.656 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N1CC[C@H]([NH+](CC)CC)C1 ZINC000069381071 521119791 /nfs/dbraw/zinc/11/97/91/521119791.db2.gz HPRAAWLQSWKPQS-HOTGVXAUSA-N 2 0 269.477 2.700 10 0 CFAERP CCC[NH+](CCC)CC1(C[NH2+]CC)CCOCC1 ZINC000052180902 521643298 /nfs/dbraw/zinc/64/32/98/521643298.db2.gz VPUFEIPICQYUQN-UHFFFAOYSA-N 2 0 256.434 2.515 10 0 CFAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000045663628 521657440 /nfs/dbraw/zinc/65/74/40/521657440.db2.gz FUYKJFUKJWYEPZ-OAHLLOKOSA-N 2 0 283.847 2.613 10 0 CFAERP CC(C)(C)[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763383 518752551 /nfs/dbraw/zinc/75/25/51/518752551.db2.gz WMJOBRUDBIFSFN-CQSZACIVSA-N 2 0 270.461 2.638 10 0 CFAERP CC(C)C[C@H]1CSC(N[C@@H](C)C[NH+]2CCCCC2)=[NH+]1 ZINC000049502361 519416832 /nfs/dbraw/zinc/41/68/32/519416832.db2.gz FQIBQBRLBSLWKF-KBPBESRZSA-N 2 0 283.485 2.968 10 0 CFAERP CC(C)[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000052180697 519719631 /nfs/dbraw/zinc/71/96/31/519719631.db2.gz OOUVUWJREXHRCQ-HNNXBMFYSA-N 2 0 268.445 2.656 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181795 519742755 /nfs/dbraw/zinc/74/27/55/519742755.db2.gz ROERVGUFLZMPPW-OAHLLOKOSA-N 2 0 282.472 2.759 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000052423937 519743714 /nfs/dbraw/zinc/74/37/14/519743714.db2.gz KXFWRSRRRCQMBS-MRXNPFEDSA-N 2 0 277.456 2.970 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456900 519746465 /nfs/dbraw/zinc/74/64/65/519746465.db2.gz VVINHEDLNDVIKU-ZBFHGGJFSA-N 2 0 280.412 2.505 10 0 CFAERP CC(C)C[NH2+]Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000052443270 519747188 /nfs/dbraw/zinc/74/71/88/519747188.db2.gz XGCXMWUGBCEKLL-UHFFFAOYSA-N 2 0 278.465 2.981 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150118 519852502 /nfs/dbraw/zinc/85/25/02/519852502.db2.gz GXJSXNUDKXHIIO-GVDBMIGSSA-N 2 0 281.488 2.571 10 0 CFAERP CCC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052347069 519859171 /nfs/dbraw/zinc/85/91/71/519859171.db2.gz HRCCHVMJNHHFIJ-HZPDHXFCSA-N 2 0 268.445 2.654 10 0 CFAERP CCCN1CC[NH+]([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052421980 519859423 /nfs/dbraw/zinc/85/94/23/519859423.db2.gz MSQJQRHJEHRBBN-OAHLLOKOSA-N 2 0 269.477 2.571 10 0 CFAERP CCCC1CC[NH+](C[C@@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000050893186 519901346 /nfs/dbraw/zinc/90/13/46/519901346.db2.gz AUCNENOXDQOFPZ-QGZVFWFLSA-N 2 0 276.424 2.691 10 0 CFAERP CCC[NH2+]CC1(C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180549 519911064 /nfs/dbraw/zinc/91/10/64/519911064.db2.gz MDLFJQOOJTYAFW-IYBDPMFKSA-N 2 0 282.472 2.761 10 0 CFAERP CC[NH2+]CCC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052416563 519919886 /nfs/dbraw/zinc/91/98/86/519919886.db2.gz CMCCRQKACGELSJ-LBPRGKRZSA-N 2 0 252.427 2.884 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456361 519936720 /nfs/dbraw/zinc/93/67/20/519936720.db2.gz VMVRHRJXKFPDNX-KGLIPLIRSA-N 2 0 282.453 2.727 10 0 CFAERP CCC[NH2+]Cc1ccccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481911 519956452 /nfs/dbraw/zinc/95/64/52/519956452.db2.gz JRNQVKIJAHSCJF-UHFFFAOYSA-N 2 0 276.424 2.797 10 0 CFAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)CC(C)C)on1 ZINC000052571901 519987543 /nfs/dbraw/zinc/98/75/43/519987543.db2.gz IPPDTGQEQHEJLU-GFCCVEGCSA-N 2 0 253.390 2.651 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@@H+]2CCC[C@H]2C)cc1 ZINC000052375894 519999911 /nfs/dbraw/zinc/99/99/11/519999911.db2.gz AWHJEAJNKHWQIV-CQSZACIVSA-N 2 0 262.397 2.659 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000052377026 519999971 /nfs/dbraw/zinc/99/99/71/519999971.db2.gz XMBQKTMAEPDTCV-UHFFFAOYSA-N 2 0 276.424 2.907 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@H+](CC)C1CC1 ZINC000052452001 520009163 /nfs/dbraw/zinc/00/91/63/520009163.db2.gz MCFIFMSTTHFJDH-UHFFFAOYSA-N 2 0 262.397 2.659 10 0 CFAERP CCCNc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000050815618 520154763 /nfs/dbraw/zinc/15/47/63/520154763.db2.gz CFLHHCDXKUMDCJ-UHFFFAOYSA-N 2 0 290.455 2.677 10 0 CFAERP CCCO[C@H]1CCC[N@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050953638 520284576 /nfs/dbraw/zinc/28/45/76/520284576.db2.gz BFLXVFZONIQGST-HOTGVXAUSA-N 2 0 268.445 2.800 10 0 CFAERP CC1(C)CC[NH+](Cc2cc(C[NH3+])ccc2F)CC1 ZINC000061818784 520381158 /nfs/dbraw/zinc/38/11/58/520381158.db2.gz ADNPDRJVMICTCD-UHFFFAOYSA-N 2 0 250.361 2.906 10 0 CFAERP CCCC[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180920 520396705 /nfs/dbraw/zinc/39/67/05/520396705.db2.gz GDPXTCWRFRPANO-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP CCCC[N@H+](CC1(C[NH2+]C)CCOCC1)[C@@H](C)CC ZINC000052198189 520483420 /nfs/dbraw/zinc/48/34/20/520483420.db2.gz LNJUKQDPFHOFPG-HNNXBMFYSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000151243955 520777302 /nfs/dbraw/zinc/77/73/02/520777302.db2.gz RYJBDOHFBUTTPU-QZTJIDSGSA-N 2 0 290.451 2.964 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])[N@@H+]1CCC[C@H](OCC)C1 ZINC000069380385 521121454 /nfs/dbraw/zinc/12/14/54/521121454.db2.gz WVXNTRNZFSXJHR-GJZGRUSLSA-N 2 0 256.434 2.785 10 0 CFAERP CCC(CC)[N@H+](CCOC)Cc1ccc(C[NH2+]C)o1 ZINC000052573329 521560106 /nfs/dbraw/zinc/56/01/06/521560106.db2.gz XBXPSQDDYALGIK-UHFFFAOYSA-N 2 0 268.401 2.636 10 0 CFAERP C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541630 521997821 /nfs/dbraw/zinc/99/78/21/521997821.db2.gz JAUOLKQHYMJCJE-CYBMUJFWSA-N 2 0 250.386 2.515 10 0 CFAERP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484562 522100003 /nfs/dbraw/zinc/10/00/03/522100003.db2.gz ILMMSQKYRKXGOA-GFCCVEGCSA-N 2 0 258.365 2.994 10 0 CFAERP C[NH2+]Cc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000052381388 522122791 /nfs/dbraw/zinc/12/27/91/522122791.db2.gz ZWLCGQKENKHGGQ-CQSZACIVSA-N 2 0 262.397 2.517 10 0 CFAERP C[NH2+]Cc1cccc(C[NH+]2Cc3ccccc3C2)c1 ZINC000052374306 522126599 /nfs/dbraw/zinc/12/65/99/522126599.db2.gz ZIHHEZZPGOKYOP-UHFFFAOYSA-N 2 0 252.361 2.922 10 0 CFAERP CC[C@H](C[NH2+]C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417099 522192838 /nfs/dbraw/zinc/19/28/38/522192838.db2.gz PPYSPNCMTPTJFI-GOSISDBHSA-N 2 0 289.467 2.581 10 0 CFAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000234740753 522288856 /nfs/dbraw/zinc/28/88/56/522288856.db2.gz OKIDDVAZIPMYDC-VHSXEESVSA-N 2 0 276.833 2.806 10 0 CFAERP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(O)cc1 ZINC000045663116 522579810 /nfs/dbraw/zinc/57/98/10/522579810.db2.gz CMZGZLJRKUQRHD-HNNXBMFYSA-N 2 0 250.386 2.775 10 0 CFAERP C[N@H+](CCC[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000052764666 522788127 /nfs/dbraw/zinc/78/81/27/522788127.db2.gz FLDXIKBQPGRLKJ-HNNXBMFYSA-N 2 0 250.361 2.790 10 0 CFAERP CN(Cc1cc(C[NH2+]C(C)(C)C)co1)C1CC[NH+](C)CC1 ZINC000052419876 523171751 /nfs/dbraw/zinc/17/17/51/523171751.db2.gz YDJUVEJOTOSPSI-UHFFFAOYSA-N 2 0 293.455 2.694 10 0 CFAERP COCC[N@H+]([C@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000052545478 523781402 /nfs/dbraw/zinc/78/14/02/523781402.db2.gz RZHVWBZSHIRODO-KGLIPLIRSA-N 2 0 270.461 2.900 10 0 CFAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CCc1ccsc1 ZINC000052205943 523792934 /nfs/dbraw/zinc/79/29/34/523792934.db2.gz HALVWOFUDWRWBM-CQSZACIVSA-N 2 0 252.427 2.755 10 0 CFAERP C[N@@H+]1CCCN(Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052424344 523809598 /nfs/dbraw/zinc/80/95/98/523809598.db2.gz FFVXIHRAFGOERM-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP CC[C@H](C)[N@H+](CCOC)Cc1ccccc1C[NH2+]C ZINC000052547448 523939761 /nfs/dbraw/zinc/93/97/61/523939761.db2.gz BGKZKXLTQAYIAI-AWEZNQCLSA-N 2 0 264.413 2.653 10 0 CFAERP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000231465214 524011358 /nfs/dbraw/zinc/01/13/58/524011358.db2.gz ZDPUJRGVWRRCGY-ZDUSSCGKSA-N 2 0 282.815 2.923 10 0 CFAERP C[C@H]1CCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052375832 524120977 /nfs/dbraw/zinc/12/09/77/524120977.db2.gz YITKUMRWMOLXOH-NSHDSACASA-N 2 0 251.374 2.547 10 0 CFAERP C[C@H](CC[NH+](C)C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000049559255 524162720 /nfs/dbraw/zinc/16/27/20/524162720.db2.gz QGPFEUFEPSERRJ-OCCSQVGLSA-N 2 0 277.437 2.760 10 0 CFAERP C[C@@H]1CCC[N@@H+]1CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000052375877 524261653 /nfs/dbraw/zinc/26/16/53/524261653.db2.gz VKFAJPAVYVINQJ-CQSZACIVSA-N 2 0 274.408 2.802 10 0 CFAERP C[C@H](C[NH2+]CCCc1ccccc1)C[NH+]1CCCC1 ZINC000057994288 524484944 /nfs/dbraw/zinc/48/49/44/524484944.db2.gz DAYCCGXXYVVDQZ-MRXNPFEDSA-N 2 0 260.425 2.941 10 0 CFAERP C[C@H](C[NH2+][C@@H](C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000062771899 524495132 /nfs/dbraw/zinc/49/51/32/524495132.db2.gz LUNVXDXYBAVXIL-CABCVRRESA-N 2 0 264.413 2.922 10 0 CFAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCc2ccc(F)cc2)C1 ZINC000049664081 525096031 /nfs/dbraw/zinc/09/60/31/525096031.db2.gz VBNZYJGCNFXFGX-ZIAGYGMSSA-N 2 0 264.388 2.546 10 0 CFAERP Cc1cc([C@H](C[NH3+])N2CC[NH+](C(C)(C)C)CC2)ccc1F ZINC000050546294 525535688 /nfs/dbraw/zinc/53/56/88/525535688.db2.gz UEEGFIPGUYFRRU-INIZCTEOSA-N 2 0 293.430 2.550 10 0 CFAERP C[C@H]([C@@H]([NH3+])c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000052061193 526021433 /nfs/dbraw/zinc/02/14/33/526021433.db2.gz FMFYBKBIESNTGQ-CRAIPNDOSA-N 2 0 287.451 2.635 10 0 CFAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCCOCC(F)(F)F ZINC000049312202 526249191 /nfs/dbraw/zinc/24/91/91/526249191.db2.gz UPQVTGOPKYACBP-ZDUSSCGKSA-N 2 0 296.377 2.810 10 0 CFAERP c1ccc([C@H]2C[C@H]2[NH2+]CCCC2CC[NH2+]CC2)cc1 ZINC000050953980 526498684 /nfs/dbraw/zinc/49/86/84/526498684.db2.gz UCVSMMPMZVORRC-IAGOWNOFSA-N 2 0 258.409 2.912 10 0 CFAERP Cc1nc(C)c([C@@H](C)[NH2+]CC2CCC([NH3+])CC2)s1 ZINC000049538847 526745068 /nfs/dbraw/zinc/74/50/68/526745068.db2.gz WVWVOASMYADQKQ-UHEGKEBESA-N 2 0 267.442 2.928 10 0 CFAERP Cc1oc(C[NH2+]C(C)(C)C)cc1CN1CCC[N@@H+](C)CC1 ZINC000052424401 526774601 /nfs/dbraw/zinc/77/46/01/526774601.db2.gz WNGHYUPLAUXXRP-UHFFFAOYSA-N 2 0 293.455 2.614 10 0 CFAERP [NH3+]C1CCC([NH2+]CCc2cccc3cccnc32)CC1 ZINC000159251291 527141839 /nfs/dbraw/zinc/14/18/39/527141839.db2.gz HLVKXVCNNDPBRX-UHFFFAOYSA-N 2 0 269.392 2.637 10 0 CFAERP [NH3+]Cc1cccc(OCC[NH+]2Cc3ccccc3C2)c1 ZINC000050910501 527260851 /nfs/dbraw/zinc/26/08/51/527260851.db2.gz WVXPLBFVLLXAJF-UHFFFAOYSA-N 2 0 268.360 2.540 10 0 CFAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]21 ZINC000228545374 527360357 /nfs/dbraw/zinc/36/03/57/527360357.db2.gz SATOSPYVFLSBET-SBBZOJNGSA-N 2 0 256.393 2.759 10 0 CFAERP CO[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCC2 ZINC000308393800 618207568 /nfs/dbraw/zinc/20/75/68/618207568.db2.gz NFUYELKLSQUAJQ-KGLIPLIRSA-N 2 0 280.456 2.843 10 0 CFAERP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000020523993 618806097 /nfs/dbraw/zinc/80/60/97/618806097.db2.gz WBIPRUKIFNRYGW-FBVQUNGASA-N 2 0 287.451 2.504 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000089148440 650829073 /nfs/dbraw/zinc/82/90/73/650829073.db2.gz GMYQVFQKJWFAQQ-IMSIIYSGSA-N 2 0 254.324 2.743 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000093465382 650940802 /nfs/dbraw/zinc/94/08/02/650940802.db2.gz USRSORZRKNDPPM-VNHYZAJKSA-N 2 0 292.423 2.885 10 0 CFAERP CC(C)C[NH2+]Cc1ccccc1OCCC[NH+](C)C ZINC000083479976 178497284 /nfs/dbraw/zinc/49/72/84/178497284.db2.gz NRUAXSZABAESEF-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)s1 ZINC000086818862 179348838 /nfs/dbraw/zinc/34/88/38/179348838.db2.gz ZPWQWTUYAFVUBQ-AAEUAGOBSA-N 2 0 267.442 2.895 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]CCCOC2CCCCC2)CC1 ZINC000086817417 179344597 /nfs/dbraw/zinc/34/45/97/179344597.db2.gz PVYOORFHYCNGMN-HNNXBMFYSA-N 2 0 268.445 2.800 10 0 CFAERP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818500 179347228 /nfs/dbraw/zinc/34/72/28/179347228.db2.gz KZFLBZPDAGMQKD-GDBMZVCRSA-N 2 0 276.424 2.787 10 0 CFAERP CCN(c1ccc(F)cc1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086848398 179356470 /nfs/dbraw/zinc/35/64/70/179356470.db2.gz OGYPLLJSLJNOBT-QGZVFWFLSA-N 2 0 293.430 2.855 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CC)Cc2ccco2)CC1 ZINC000086847559 179357332 /nfs/dbraw/zinc/35/73/32/179357332.db2.gz NNFDDYGAGPFUCP-QGZVFWFLSA-N 2 0 293.455 2.695 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](COC)C(C)C)CC1 ZINC000086845972 179354407 /nfs/dbraw/zinc/35/44/07/179354407.db2.gz GMMIMQQRBWVJFP-CABCVRRESA-N 2 0 256.434 2.512 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844767 179355026 /nfs/dbraw/zinc/35/50/26/179355026.db2.gz CMSDPJKUXDRURE-AWEZNQCLSA-N 2 0 281.469 2.848 10 0 CFAERP CCN(C1CCCCC1)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846378 179355105 /nfs/dbraw/zinc/35/51/05/179355105.db2.gz SPNUUOXLQLQPHW-KRWDZBQOSA-N 2 0 281.488 2.844 10 0 CFAERP CCOC(=O)C[C@]1([NH+]2CCCCC2)CCC[N@H+](CC)CC1 ZINC000086868556 179360372 /nfs/dbraw/zinc/36/03/72/179360372.db2.gz DGAIZCVHKYTSJB-KRWDZBQOSA-N 2 0 296.455 2.670 10 0 CFAERP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000205961838 348155938 /nfs/dbraw/zinc/15/59/38/348155938.db2.gz VETUDDLKHANBAF-WBVHZDCISA-N 2 0 270.351 2.752 10 0 CFAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000087912779 179520949 /nfs/dbraw/zinc/52/09/49/179520949.db2.gz XHFHPBBQPLAXHQ-QGZVFWFLSA-N 2 0 277.456 2.741 10 0 CFAERP Cc1cccc(NC2(C[NH3+])CC[NH+](C(C)C)CC2)c1 ZINC000087928907 179524892 /nfs/dbraw/zinc/52/48/92/179524892.db2.gz AFEDGOJBRLURRI-UHFFFAOYSA-N 2 0 261.413 2.609 10 0 CFAERP Cc1ncsc1CN(C)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000104445668 186005034 /nfs/dbraw/zinc/00/50/34/186005034.db2.gz IVKLQGPQMJZEJA-FZMZJTMJSA-N 2 0 267.442 2.791 10 0 CFAERP Cc1ncsc1CN(C)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000104445672 186005078 /nfs/dbraw/zinc/00/50/78/186005078.db2.gz IVKLQGPQMJZEJA-SMDDNHRTSA-N 2 0 267.442 2.791 10 0 CFAERP CCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862883 186080355 /nfs/dbraw/zinc/08/03/55/186080355.db2.gz YUHMUWZNRNHXTI-SFHVURJKSA-N 2 0 290.451 2.774 10 0 CFAERP [NH3+]CCN1CCCC[C@@H]1c1cncc2ccccc21 ZINC000616626660 352390138 /nfs/dbraw/zinc/39/01/38/352390138.db2.gz USACYFGQSYFCRA-MRXNPFEDSA-N 2 0 255.365 2.721 10 0 CFAERP CC[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000151928122 187986893 /nfs/dbraw/zinc/98/68/93/187986893.db2.gz NAXSYVZLTBGLPJ-CRAIPNDOSA-N 2 0 290.451 2.820 10 0 CFAERP [NH3+]C[C@]12CCC[C@H]1CN(c1cc[nH+]c3ccccc31)C2 ZINC000380625744 540689425 /nfs/dbraw/zinc/68/94/25/540689425.db2.gz KBWBXPWVIZYSLV-GUYCJALGSA-N 2 0 267.376 2.800 10 0 CFAERP C[NH+](C)Cc1cccc(-c2cccc(CC[NH3+])c2)c1 ZINC000033427926 372494818 /nfs/dbraw/zinc/49/48/18/372494818.db2.gz HTAGKPQXZQICQK-UHFFFAOYSA-N 2 0 254.377 2.916 10 0 CFAERP [NH3+]C[C@H](CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000055167804 373544642 /nfs/dbraw/zinc/54/46/42/373544642.db2.gz GDIZKGKYUIZWHP-ZDUSSCGKSA-N 2 0 252.789 2.868 10 0 CFAERP [NH3+]C[C@@H]1CCCCN1Cc1ccnc2ccccc12 ZINC000104386609 375781011 /nfs/dbraw/zinc/78/10/11/375781011.db2.gz NBUXVEBARLUTAW-AWEZNQCLSA-N 2 0 255.365 2.548 10 0 CFAERP C[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261507926 190040200 /nfs/dbraw/zinc/04/02/00/190040200.db2.gz NWKPTWWOFZVAAU-YPMHNXCESA-N 2 0 272.314 2.527 10 0 CFAERP c1ccc2c(c1)OCC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126561417 377235537 /nfs/dbraw/zinc/23/55/37/377235537.db2.gz CRAAUAJUSFBZSA-FMKPAKJESA-N 2 0 272.392 2.727 10 0 CFAERP C[C@H]1C[C@@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133927841 377968067 /nfs/dbraw/zinc/96/80/67/377968067.db2.gz OFMLEPYMCWMSOG-YOEHRIQHSA-N 2 0 287.451 2.715 10 0 CFAERP C[C@H]([NH3+])[C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000168592920 379092840 /nfs/dbraw/zinc/09/28/40/379092840.db2.gz QQIVGQZSMQACKV-GXTWGEPZSA-N 2 0 255.365 2.798 10 0 CFAERP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000180044769 380613390 /nfs/dbraw/zinc/61/33/90/380613390.db2.gz FYEBBXBAHRZQMB-ZWKOTPCHSA-N 2 0 290.451 2.820 10 0 CFAERP C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000400428158 380858657 /nfs/dbraw/zinc/85/86/57/380858657.db2.gz ZHBANLJEOHZUDX-RYUDHWBXSA-N 2 0 252.427 2.613 10 0 CFAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400398999 380858943 /nfs/dbraw/zinc/85/89/43/380858943.db2.gz PZDASDNAVAJOTN-GMXVVIOVSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CC2CCC1CC2 ZINC000382070310 382527790 /nfs/dbraw/zinc/52/77/90/382527790.db2.gz GZVHYEDOEUCFIQ-PHXIIHMKSA-N 2 0 250.430 2.790 10 0 CFAERP COc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000380441857 382514948 /nfs/dbraw/zinc/51/49/48/382514948.db2.gz CEZMIYLGRBSIHR-BFQNTYOBSA-N 2 0 280.387 2.812 10 0 CFAERP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)COCc1ccccc1 ZINC000389946886 382617342 /nfs/dbraw/zinc/61/73/42/382617342.db2.gz QOBCRBNGYJIVEX-NVXWUHKLSA-N 2 0 276.424 2.571 10 0 CFAERP CCC[NH2+][C@@](C)(CO)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000085239162 184607168 /nfs/dbraw/zinc/60/71/68/184607168.db2.gz VFDLZDPRYOSIEQ-HRCADAONSA-N 2 0 270.461 2.780 10 0 CFAERP Cc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000193007508 382714389 /nfs/dbraw/zinc/71/43/89/382714389.db2.gz GBGIHHGTIQWNGT-MRXNPFEDSA-N 2 0 293.455 2.655 10 0 CFAERP [NH3+]CC[C@@H]([NH3+])c1ccccc1SC(F)(F)F ZINC000575439101 382771391 /nfs/dbraw/zinc/77/13/91/382771391.db2.gz PRRLMQCHSUPEME-MRVPVSSYSA-N 2 0 250.289 2.647 10 0 CFAERP CCOc1ccc(Br)cc1[C@H]([NH3+])CCC[NH3+] ZINC000575439660 382771439 /nfs/dbraw/zinc/77/14/39/382771439.db2.gz UAIUORHZQBAJBD-LLVKDONJSA-N 2 0 287.201 2.587 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(Br)c1F ZINC000575438832 382771481 /nfs/dbraw/zinc/77/14/81/382771481.db2.gz CDGQQJQLAQKBLU-SNVBAGLBSA-N 2 0 275.165 2.717 10 0 CFAERP Cc1ccc(F)c(CN(C)C[C@H]2CCC[NH2+]C2)c1 ZINC000234357922 382874156 /nfs/dbraw/zinc/87/41/56/382874156.db2.gz CZMPESRRKYDZSF-ZDUSSCGKSA-N 2 0 250.361 2.566 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000261555847 383511326 /nfs/dbraw/zinc/51/13/26/383511326.db2.gz QCUQLSRHUOTVHG-SCDSUCTJSA-N 2 0 250.773 2.509 10 0 CFAERP CC1(C)CCC(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000261572603 383516191 /nfs/dbraw/zinc/51/61/91/383516191.db2.gz LTRNMQZJEVOZTJ-SOUVJXGZSA-N 2 0 250.430 2.872 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]12 ZINC000261587138 383520718 /nfs/dbraw/zinc/52/07/18/383520718.db2.gz JGQBVUVZNKZMQW-VHDGCEQUSA-N 2 0 256.349 2.602 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@@H]12 ZINC000261593666 383524310 /nfs/dbraw/zinc/52/43/10/383524310.db2.gz NAQQZLDJXYDLHP-BFHYXJOUSA-N 2 0 266.335 2.793 10 0 CFAERP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000261612410 383528383 /nfs/dbraw/zinc/52/83/83/383528383.db2.gz SPNHRUBWWPWLQC-XIRDDKMYSA-N 2 0 258.409 2.781 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc4cccnc43)C[C@@H]12 ZINC000261690737 383543442 /nfs/dbraw/zinc/54/34/42/383543442.db2.gz NHZNZTDOLIJRLR-DAXOMENPSA-N 2 0 285.366 2.543 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@@H]12 ZINC000261698508 383544155 /nfs/dbraw/zinc/54/41/55/383544155.db2.gz NXNDCWJPJZLIFQ-DJSGYFEHSA-N 2 0 285.366 2.543 10 0 CFAERP Cc1ncsc1C[N@H+](C[C@@H]1C[C@@H]1C)C[C@@H]1CC[NH2+]C1 ZINC000261921879 383580088 /nfs/dbraw/zinc/58/00/88/383580088.db2.gz KPIIFBYXJUNQGU-YUTCNCBUSA-N 2 0 279.453 2.519 10 0 CFAERP CCc1oc2ccccc2c1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261936378 383582987 /nfs/dbraw/zinc/58/29/87/383582987.db2.gz DGURJKCFYMDNSK-FZMZJTMJSA-N 2 0 258.365 2.774 10 0 CFAERP Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261787712 383561250 /nfs/dbraw/zinc/56/12/50/383561250.db2.gz OGADVPBCHLDRCK-HZPDHXFCSA-N 2 0 260.425 2.857 10 0 CFAERP Cc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261787716 383561902 /nfs/dbraw/zinc/56/19/02/383561902.db2.gz OGADVPBCHLDRCK-JKSUJKDBSA-N 2 0 260.425 2.857 10 0 CFAERP CN1CC[NH+](Cc2ccccc2-c2ccc(C[NH3+])cc2)CC1 ZINC000031993448 393511539 /nfs/dbraw/zinc/51/15/39/393511539.db2.gz JCMISCVUFKFDPP-UHFFFAOYSA-N 2 0 295.430 2.560 10 0 CFAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)C[C@@H]21 ZINC000381586076 393564570 /nfs/dbraw/zinc/56/45/70/393564570.db2.gz CPMKBJZZURACJJ-ZOBORPQBSA-N 2 0 272.383 2.871 10 0 CFAERP CC[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381645274 393565739 /nfs/dbraw/zinc/56/57/39/393565739.db2.gz XQVDCAQKSKXTHS-UPJWGTAASA-N 2 0 260.372 2.871 10 0 CFAERP Cc1cc(Cl)ccc1CN1CCCC[C@H]1C[NH3+] ZINC000219759672 393761180 /nfs/dbraw/zinc/76/11/80/393761180.db2.gz AWIOECDPHXFIOZ-AWEZNQCLSA-N 2 0 252.789 2.962 10 0 CFAERP CCC1(CC)C[N@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000261997973 393952483 /nfs/dbraw/zinc/95/24/83/393952483.db2.gz SZQRFIUJVHUSIO-ZDUSSCGKSA-N 2 0 256.459 2.594 10 0 CFAERP C[NH2+]Cc1ccccc1CNc1cc[nH+]c(C)c1Cl ZINC000404514224 413206479 /nfs/dbraw/zinc/20/64/79/413206479.db2.gz HRLICHCZFQBDEP-UHFFFAOYSA-N 2 0 275.783 2.797 10 0 CFAERP C[NH2+][C@@H](C)Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000006850841 170249120 /nfs/dbraw/zinc/24/91/20/170249120.db2.gz OOXCCSGQAGHINY-HNNXBMFYSA-N 2 0 276.424 2.702 10 0 CFAERP CC[NH+](CC)CCOc1ccc(Cl)cc1CC[NH3+] ZINC000011825991 170444805 /nfs/dbraw/zinc/44/48/05/170444805.db2.gz KXIJICCSJPKKOH-UHFFFAOYSA-N 2 0 270.804 2.562 10 0 CFAERP COC(C)(C)C[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000020524599 171237838 /nfs/dbraw/zinc/23/78/38/171237838.db2.gz RENOWKUUBYJMSH-CQSZACIVSA-N 2 0 256.434 2.656 10 0 CFAERP C[C@@H]1CCC[N@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022154070 171361217 /nfs/dbraw/zinc/36/12/17/171361217.db2.gz WCZSUGKZDIMBHJ-CQSZACIVSA-N 2 0 289.423 2.596 10 0 CFAERP CCC[NH+]1CCN([C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000022563288 171391450 /nfs/dbraw/zinc/39/14/50/171391450.db2.gz VDRJNYKIIWLHBB-ROUUACIJSA-N 2 0 289.467 2.739 10 0 CFAERP C[N@H+](Cc1cccs1)Cc1ccc(C(N)=[NH2+])cc1 ZINC000035717598 172371556 /nfs/dbraw/zinc/37/15/56/172371556.db2.gz GRWIYSHBKGTWLV-UHFFFAOYSA-N 2 0 259.378 2.664 10 0 CFAERP CC[C@@H](C)C[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037173358 173007725 /nfs/dbraw/zinc/00/77/25/173007725.db2.gz YQTDDAIXZXTXPG-SNVBAGLBSA-N 2 0 251.349 2.588 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210004 173032087 /nfs/dbraw/zinc/03/20/87/173032087.db2.gz KEXWCUKQUWBRQY-GXTWGEPZSA-N 2 0 250.361 2.646 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028841 174018037 /nfs/dbraw/zinc/01/80/37/174018037.db2.gz YPMZZNHPQOVVBJ-BRWVUGGUSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096064 174110351 /nfs/dbraw/zinc/11/03/51/174110351.db2.gz SUMRFZLHMVMBGG-OAGGEKHMSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH+](CC)CCOc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000040240015 174212668 /nfs/dbraw/zinc/21/26/68/174212668.db2.gz PJMVPUVXYAESDU-LLVKDONJSA-N 2 0 254.349 2.566 10 0 CFAERP CCCCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000040506733 174302297 /nfs/dbraw/zinc/30/22/97/174302297.db2.gz XFHFYTIWQRAUKB-JKSUJKDBSA-N 2 0 270.461 2.903 10 0 CFAERP CCOC1CC[NH+](Cc2cc([C@H](C)[NH3+])ccc2OC)CC1 ZINC000040689375 174376318 /nfs/dbraw/zinc/37/63/18/174376318.db2.gz VFUNUWAAIYQHCQ-ZDUSSCGKSA-N 2 0 292.423 2.716 10 0 CFAERP CCC[C@H]([NH3+])[C@H](CC)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693911 174378037 /nfs/dbraw/zinc/37/80/37/174378037.db2.gz XUZZWIKNCUHLTH-IRXDYDNUSA-N 2 0 281.488 2.843 10 0 CFAERP C[N@@H+]1CCC[C@@H](n2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000040715945 174383697 /nfs/dbraw/zinc/38/36/97/174383697.db2.gz KEJYBHNTPRYLPE-SECBINFHSA-N 2 0 264.760 2.539 10 0 CFAERP C[C@@H](c1ccc(F)cc1F)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749330 174393682 /nfs/dbraw/zinc/39/36/82/174393682.db2.gz HWUHYDNWYWGQAC-SMHCIBLRSA-N 2 0 266.335 2.980 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc(Cl)c1 ZINC000040750139 174394702 /nfs/dbraw/zinc/39/47/02/174394702.db2.gz DLDCGQSQDRBEMT-AGUYFDCRSA-N 2 0 280.799 2.673 10 0 CFAERP Cc1cc2c(n1[C@H](C)C[NH+]1CCCC1)CCC[C@H]2[NH3+] ZINC000041722202 174617988 /nfs/dbraw/zinc/61/79/88/174617988.db2.gz SIOLBAIHPVKRMT-UKRRQHHQSA-N 2 0 261.413 2.789 10 0 CFAERP Cc1cc2c(n1[C@@H](C[NH+](C)C)C(C)C)CCC[C@H]2[NH3+] ZINC000041734402 174620211 /nfs/dbraw/zinc/62/02/11/174620211.db2.gz RUAVEXYKMGPKRU-ZBFHGGJFSA-N 2 0 263.429 2.891 10 0 CFAERP C[NH+](C)CCCCn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041733897 174620346 /nfs/dbraw/zinc/62/03/46/174620346.db2.gz HCSJHSSYZDTQHA-CQSZACIVSA-N 2 0 263.429 2.802 10 0 CFAERP C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CCC[N@H+](C)C1 ZINC000042599940 174816411 /nfs/dbraw/zinc/81/64/11/174816411.db2.gz QHMAAAFZBXFEJT-OCCSQVGLSA-N 2 0 252.427 2.611 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](c2cccs2)[C@@H](C)[NH3+])CC1 ZINC000043106741 174972006 /nfs/dbraw/zinc/97/20/06/174972006.db2.gz ZIMRBYAQKBEWDK-DOMZBBRYSA-N 2 0 281.469 2.553 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccsc1)N1CCC([NH+](C)C)CC1 ZINC000043117915 174976006 /nfs/dbraw/zinc/97/60/06/174976006.db2.gz OKZABSIYXPDUIG-LSDHHAIUSA-N 2 0 281.469 2.553 10 0 CFAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043335501 175011347 /nfs/dbraw/zinc/01/13/47/175011347.db2.gz FVBRCOWVKDNKIC-PBHICJAKSA-N 2 0 291.439 2.618 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N(CC[NH+](C)C)CC(C)C ZINC000043336306 175012236 /nfs/dbraw/zinc/01/22/36/175012236.db2.gz GHEHEEOLPFDNTI-GDBMZVCRSA-N 2 0 281.444 2.578 10 0 CFAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043364759 175025606 /nfs/dbraw/zinc/02/56/06/175025606.db2.gz YATSNJFDUAGKNQ-GDBMZVCRSA-N 2 0 293.455 2.783 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CC[NH+](C)C)CC(C)C ZINC000043365384 175026890 /nfs/dbraw/zinc/02/68/90/175026890.db2.gz AWBACATXOPGWDC-DOTOQJQBSA-N 2 0 295.471 2.886 10 0 CFAERP CC(C)C[N@H+](CCC(N)=[NH2+])Cc1cccc(F)c1 ZINC000043422977 175039175 /nfs/dbraw/zinc/03/91/75/175039175.db2.gz GVQSEDXLGSVNES-UHFFFAOYSA-N 2 0 251.349 2.610 10 0 CFAERP CCCC[C@@H](CC)C[NH+]1CCN([C@H](CC)CC[NH3+])CC1 ZINC000043454552 175050065 /nfs/dbraw/zinc/05/00/65/175050065.db2.gz DJIBFAZJDHSEGB-IAGOWNOFSA-N 2 0 283.504 2.948 10 0 CFAERP CC[NH+](CC)CCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH3+] ZINC000043460062 175051006 /nfs/dbraw/zinc/05/10/06/175051006.db2.gz AHOHMIXGHUECSC-HNNXBMFYSA-N 2 0 292.423 2.968 10 0 CFAERP CC[N@H+](CCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511960 175060674 /nfs/dbraw/zinc/06/06/74/175060674.db2.gz PZJVFLCLPKENFY-UHFFFAOYSA-N 2 0 260.303 2.876 10 0 CFAERP CCC[NH+]1CCN(C[C@H]([NH2+]CC)c2ccc(C)cc2)CC1 ZINC000043805453 175107883 /nfs/dbraw/zinc/10/78/83/175107883.db2.gz NFNGPHHCWABRQK-SFHVURJKSA-N 2 0 289.467 2.673 10 0 CFAERP CCC[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806200 175108250 /nfs/dbraw/zinc/10/82/50/175108250.db2.gz BIXOYYJJRAASIB-DLBZAZTESA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](CC)CC1 ZINC000043806161 175108280 /nfs/dbraw/zinc/10/82/80/175108280.db2.gz STGMPLZMAHJTOU-AEFFLSMTSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810888 175110026 /nfs/dbraw/zinc/11/00/26/175110026.db2.gz QJSGFMGAMRWCML-QAPCUYQASA-N 2 0 289.467 2.536 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC000043810858 175110602 /nfs/dbraw/zinc/11/06/02/175110602.db2.gz OYOVLZUOVHMLOJ-GOSISDBHSA-N 2 0 289.467 2.708 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815331 175112482 /nfs/dbraw/zinc/11/24/82/175112482.db2.gz LPIXRZFDVABVIK-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1C ZINC000043815353 175112609 /nfs/dbraw/zinc/11/26/09/175112609.db2.gz ZBBDMWDERPLWHL-SFHVURJKSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818372 175113058 /nfs/dbraw/zinc/11/30/58/175113058.db2.gz XCMIHVCKHICYED-IKGGRYGDSA-N 2 0 295.515 2.817 10 0 CFAERP CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818366 175113177 /nfs/dbraw/zinc/11/31/77/175113177.db2.gz XCMIHVCKHICYED-BBWFWOEESA-N 2 0 295.515 2.817 10 0 CFAERP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000043897003 175119752 /nfs/dbraw/zinc/11/97/52/175119752.db2.gz KQJBPDDCSCIXEZ-MSOLQXFVSA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccc(C)c(C)c1 ZINC000043896984 175119807 /nfs/dbraw/zinc/11/98/07/175119807.db2.gz QYXJWUTVFMIHJJ-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000043897358 175119864 /nfs/dbraw/zinc/11/98/64/175119864.db2.gz ZUPDGSSDDXTTDD-ZWKOTPCHSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897511 175120402 /nfs/dbraw/zinc/12/04/02/175120402.db2.gz ZNHWXAFKUBSEOJ-UAGQMJEPSA-N 2 0 281.488 2.569 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897440 175120533 /nfs/dbraw/zinc/12/05/33/175120533.db2.gz KDGDWSSUNMLANS-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000043965675 175127092 /nfs/dbraw/zinc/12/70/92/175127092.db2.gz SZAOMWSOGBNEMB-HNNXBMFYSA-N 2 0 283.504 2.817 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)[C@@H](C)COC)c1 ZINC000043969363 175130211 /nfs/dbraw/zinc/13/02/11/175130211.db2.gz WGOQLINOZFLGRR-UONOGXRCSA-N 2 0 294.439 2.832 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970516 175131415 /nfs/dbraw/zinc/13/14/15/175131415.db2.gz HANBAUOKUBUUNO-JKSUJKDBSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970803 175132190 /nfs/dbraw/zinc/13/21/90/175132190.db2.gz HPEFZYYGQPTYQN-SJORKVTESA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977843 175133203 /nfs/dbraw/zinc/13/32/03/175133203.db2.gz DHJHHMRYFIUIPU-NUEKZKHPSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+][C@@H](C)[C@H](C)[N@H+](CCOC)C(CC)CC ZINC000043977303 175133242 /nfs/dbraw/zinc/13/32/42/175133242.db2.gz JKSFEXOPONDUED-KBPBESRZSA-N 2 0 258.450 2.900 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978542 175133254 /nfs/dbraw/zinc/13/32/54/175133254.db2.gz JJBJTNDNFUCAJF-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H](CN(CC[NH+](C)C)CC(C)C)C(C)(C)C ZINC000043982333 175134375 /nfs/dbraw/zinc/13/43/75/175134375.db2.gz YWYONOIZKNGMKR-INIZCTEOSA-N 2 0 285.520 2.920 10 0 CFAERP Cc1ccc([C@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000044169869 175148365 /nfs/dbraw/zinc/14/83/65/175148365.db2.gz XFBZEHKYXCEZGT-GOSISDBHSA-N 2 0 290.451 2.610 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2ccc(C)cc2)[C@@H]([NH3+])CC)CC1 ZINC000044418388 175173362 /nfs/dbraw/zinc/17/33/62/175173362.db2.gz PQKMBBKJIXXVBP-ROUUACIJSA-N 2 0 289.467 2.801 10 0 CFAERP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C[C@@H]1C ZINC000044482750 175180048 /nfs/dbraw/zinc/18/00/48/175180048.db2.gz NULMDFMWNHPHBQ-ZOBUZTSGSA-N 2 0 260.425 2.938 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000044561423 175205214 /nfs/dbraw/zinc/20/52/14/175205214.db2.gz BIFWVTZINFCUOP-WBVHZDCISA-N 2 0 281.488 2.571 10 0 CFAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660211 175226249 /nfs/dbraw/zinc/22/62/49/175226249.db2.gz ZNPKNFXVQUADKA-MUIFIZLQSA-N 2 0 258.409 2.720 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2C[C@@H](C)[NH+]1CCCCC1 ZINC000045005560 175288237 /nfs/dbraw/zinc/28/82/37/175288237.db2.gz SRKUNFJBROOBKY-CYBMUJFWSA-N 2 0 272.396 2.801 10 0 CFAERP C[N@H+](CCCOc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068728 175300568 /nfs/dbraw/zinc/30/05/68/175300568.db2.gz CFJVGKAIJRODEX-UHFFFAOYSA-N 2 0 264.413 2.892 10 0 CFAERP COC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C1CCCCCC1 ZINC000045419129 175377256 /nfs/dbraw/zinc/37/72/56/175377256.db2.gz LPIGTNWVZGKROD-INIZCTEOSA-N 2 0 284.444 2.702 10 0 CFAERP CCOC(=O)[C@](C)([NH3+])CCC[NH+](CC(C)C)CC(C)C ZINC000045420411 175378724 /nfs/dbraw/zinc/37/87/24/175378724.db2.gz YELTWMIOGNJULX-MRXNPFEDSA-N 2 0 286.460 2.661 10 0 CFAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421000 175379651 /nfs/dbraw/zinc/37/96/51/175379651.db2.gz KJAMJOHCCLOMLZ-WMLDXEAASA-N 2 0 299.503 2.765 10 0 CFAERP CC(C)(C)C(=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000062991453 175680006 /nfs/dbraw/zinc/68/00/06/175680006.db2.gz USJGDOBREBIMAO-UHFFFAOYSA-N 2 0 251.418 2.960 10 0 CFAERP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000071142460 176039813 /nfs/dbraw/zinc/03/98/13/176039813.db2.gz VOBLQGVWORZWRK-ZDUSSCGKSA-N 2 0 257.381 2.518 10 0 CFAERP COCC[N@H+](CCC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000071401864 176154022 /nfs/dbraw/zinc/15/40/22/176154022.db2.gz UDEWOLAVROJEIF-MRXNPFEDSA-N 2 0 262.397 2.577 10 0 CFAERP CC[C@@H]1C[N@H+](CCC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000071401699 176154058 /nfs/dbraw/zinc/15/40/58/176154058.db2.gz ZACSHDZRRXZNSX-CVEARBPZSA-N 2 0 262.397 2.577 10 0 CFAERP Cc1cc([C@H](CC[NH3+])C[NH+](C)C)c(C)n1C(C)C ZINC000076656140 177045669 /nfs/dbraw/zinc/04/56/69/177045669.db2.gz OSLIPGNAHWRQAD-CQSZACIVSA-N 2 0 251.418 2.680 10 0 CFAERP CC[C@@H](CC[NH3+])CCC[NH2+]CCc1nc(C)cs1 ZINC000079214284 177449421 /nfs/dbraw/zinc/44/94/21/177449421.db2.gz UCQNQWIAAVCQMS-CYBMUJFWSA-N 2 0 269.458 2.739 10 0 CFAERP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000312634463 260186054 /nfs/dbraw/zinc/18/60/54/260186054.db2.gz HUNRGEZKFISLNZ-IXDOHACOSA-N 2 0 282.472 2.638 10 0 CFAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313125713 260251609 /nfs/dbraw/zinc/25/16/09/260251609.db2.gz CUFIEEQPVIKUKB-OKILXGFUSA-N 2 0 267.376 2.671 10 0 CFAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000226206367 270256475 /nfs/dbraw/zinc/25/64/75/270256475.db2.gz KPYZPAMZTWRZOS-LSDHHAIUSA-N 2 0 270.461 2.759 10 0 CFAERP NC(=[NH2+])c1ccc(-c2cc3cc(C(N)=[NH2+])ccc3o2)cc1 ZINC000006093368 274931910 /nfs/dbraw/zinc/93/19/10/274931910.db2.gz JRXHEVUXNLGIOP-UHFFFAOYSA-N 2 0 278.315 2.668 10 0 CFAERP CC1(C)SC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000335063208 276158645 /nfs/dbraw/zinc/15/86/45/276158645.db2.gz QHPJHKXCIJIFHQ-CQSZACIVSA-N 2 0 268.470 2.877 10 0 CFAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629051 278332291 /nfs/dbraw/zinc/33/22/91/278332291.db2.gz BLUAHGBTPQBFFY-JONQDZQNSA-N 2 0 280.456 2.654 10 0 CFAERP C[C@@]1(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)CC[NH2+]C1 ZINC000262070121 279159445 /nfs/dbraw/zinc/15/94/45/279159445.db2.gz SALDUJGPSYPACX-DOTOQJQBSA-N 2 0 292.398 2.669 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000038041938 279323403 /nfs/dbraw/zinc/32/34/03/279323403.db2.gz IKRWTBABHURSKU-KURKYZTESA-N 2 0 295.515 2.818 10 0 CFAERP Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c2ccccc2[nH+]1 ZINC000094342599 280567552 /nfs/dbraw/zinc/56/75/52/280567552.db2.gz IFMZULRXTQFBBV-BXUZGUMPSA-N 2 0 255.365 2.717 10 0 CFAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248623118 281029582 /nfs/dbraw/zinc/02/95/82/281029582.db2.gz BIPWJQYYRPESDC-BRWVUGGUSA-N 2 0 295.515 2.817 10 0 CFAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCCCO1 ZINC000262023947 290031567 /nfs/dbraw/zinc/03/15/67/290031567.db2.gz YWTFGHZLDFZACL-DANNLKNASA-N 2 0 260.381 2.678 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251188303 295109681 /nfs/dbraw/zinc/10/96/81/295109681.db2.gz ZLBZHHJFQBMECB-KCQAQPDRSA-N 2 0 262.397 2.782 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000093465379 295237383 /nfs/dbraw/zinc/23/73/83/295237383.db2.gz USRSORZRKNDPPM-YDHLFZDLSA-N 2 0 292.423 2.885 10 0 CFAERP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]c4ccccc43)C[C@H]21 ZINC000228551671 295309755 /nfs/dbraw/zinc/30/97/55/295309755.db2.gz RTVNQMDDFIHPIN-BPLDGKMQSA-N 2 0 267.376 2.798 10 0 CFAERP Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c2ccccc2[nH+]1 ZINC000216179519 301343278 /nfs/dbraw/zinc/34/32/78/301343278.db2.gz IVNRXCJFBPVMKH-QWHCGFSZSA-N 2 0 255.365 2.717 10 0 CFAERP [NH3+]C1CCC([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000094074709 303361831 /nfs/dbraw/zinc/36/18/31/303361831.db2.gz WSVYEUWRLZAOIM-ABHNRTSZSA-N 2 0 287.451 2.683 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000389912666 324521285 /nfs/dbraw/zinc/52/12/85/324521285.db2.gz KWYNUDDDALQZMH-ODIFPOPNSA-N 2 0 276.424 2.841 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000580999303 325081544 /nfs/dbraw/zinc/08/15/44/325081544.db2.gz NRMRPMVGIPGNKQ-GHMZBOCLSA-N 2 0 272.845 2.922 10 0 CFAERP CC(C)CN(CC[NH+](C)C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052503425 519716719 /nfs/dbraw/zinc/71/67/19/519716719.db2.gz KFPLYHOWVAHNLZ-HNNXBMFYSA-N 2 0 271.493 2.673 10 0 CFAERP CC(C)C[NH2+]CCCC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543374 519743287 /nfs/dbraw/zinc/74/32/87/519743287.db2.gz URNSRFUCDZWDJH-AWEZNQCLSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH2+]CCC[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000052423925 519913440 /nfs/dbraw/zinc/91/34/40/519913440.db2.gz OYLVSBVAWNNPEB-OAHLLOKOSA-N 2 0 263.429 2.724 10 0 CFAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000052423927 519912940 /nfs/dbraw/zinc/91/29/40/519912940.db2.gz OYLVSBVAWNNPEB-HNNXBMFYSA-N 2 0 263.429 2.724 10 0 CFAERP CCC(CC)NC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049285414 521574722 /nfs/dbraw/zinc/57/47/22/521574722.db2.gz HXKRQLMPBGLXSR-UHFFFAOYSA-N 2 0 297.487 2.665 10 0 CFAERP CC[C@@H](C)C[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181444 521970313 /nfs/dbraw/zinc/97/03/13/521970313.db2.gz CCKTWOFRBBSVFF-OAHLLOKOSA-N 2 0 270.461 2.759 10 0 CFAERP CC(C)(C)[NH2+]CCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000052571566 518754636 /nfs/dbraw/zinc/75/46/36/518754636.db2.gz FDOWLNLEWFTAMJ-UHFFFAOYSA-N 2 0 269.477 2.571 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538414 519342343 /nfs/dbraw/zinc/34/23/43/519342343.db2.gz PZGSJUCOYVKGPE-XYPHTWIQSA-N 2 0 275.440 2.697 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157383819 519342596 /nfs/dbraw/zinc/34/25/96/519342596.db2.gz PZGSJUCOYVKGPE-COXVUDFISA-N 2 0 275.440 2.697 10 0 CFAERP CC(C)[N@H+](Cc1cc(C[NH3+])no1)Cc1ccccc1 ZINC000052417195 519654044 /nfs/dbraw/zinc/65/40/44/519654044.db2.gz VJQYDQVSKPJQKH-UHFFFAOYSA-N 2 0 259.353 2.544 10 0 CFAERP CC(C)C[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181368 519708830 /nfs/dbraw/zinc/70/88/30/519708830.db2.gz AZWYHWSTJRHYQJ-UHFFFAOYSA-N 2 0 270.461 2.759 10 0 CFAERP CC(C)CN(CC[NH+](C)C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052503426 519716641 /nfs/dbraw/zinc/71/66/41/519716641.db2.gz KFPLYHOWVAHNLZ-OAHLLOKOSA-N 2 0 271.493 2.673 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180555 519720068 /nfs/dbraw/zinc/72/00/68/519720068.db2.gz PBLPBAUKZRFJPW-IYBDPMFKSA-N 2 0 282.472 2.759 10 0 CFAERP CC(C)[NH2+]Cc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052419902 519726578 /nfs/dbraw/zinc/72/65/78/519726578.db2.gz VHFSIXPKAUPBEG-UHFFFAOYSA-N 2 0 289.467 2.711 10 0 CFAERP CC(C)C[NH2+]CCCCC[N@H+](C)[C@@H]1CCSC1 ZINC000052453534 519743322 /nfs/dbraw/zinc/74/33/22/519743322.db2.gz RBQSDXNIZDAQGH-CQSZACIVSA-N 2 0 258.475 2.840 10 0 CFAERP CC(C)C[NH2+]CC[C@@H](C)N(CC[NH+](C)C)CC(C)C ZINC000052503427 519744246 /nfs/dbraw/zinc/74/42/46/519744246.db2.gz UCQOZYGZKZKAIT-MRXNPFEDSA-N 2 0 271.493 2.530 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](C)C2)O1 ZINC000052381588 519746442 /nfs/dbraw/zinc/74/64/42/519746442.db2.gz STOITUOSRWLCLW-OAGGEKHMSA-N 2 0 268.445 2.512 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479273 519746485 /nfs/dbraw/zinc/74/64/85/519746485.db2.gz BLULJXOXUQXVOW-IMJJTQAJSA-N 2 0 268.445 2.510 10 0 CFAERP CC(C)C[NH2+]Cc1ccccc1COCC[NH+](C)C ZINC000052669974 519747638 /nfs/dbraw/zinc/74/76/38/519747638.db2.gz AXHYMHNOOALZAC-UHFFFAOYSA-N 2 0 264.413 2.510 10 0 CFAERP CC(C)C[NH2+]Cc1occc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484699 519749348 /nfs/dbraw/zinc/74/93/48/519749348.db2.gz VVBMWLMSIYDILH-CYBMUJFWSA-N 2 0 250.386 2.867 10 0 CFAERP CC(C)[C@H](C[NH+](C)C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049221099 519815105 /nfs/dbraw/zinc/81/51/05/519815105.db2.gz XGJURAVYTMPRFO-ZDUSSCGKSA-N 2 0 264.348 2.516 10 0 CFAERP CCC1CC[NH+](Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000052346959 519859339 /nfs/dbraw/zinc/85/93/39/519859339.db2.gz KDKRZFJBEYYLEO-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000052198223 519910786 /nfs/dbraw/zinc/91/07/86/519910786.db2.gz ZRCPGGMXISFTSS-CVEARBPZSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[NH2+]CCCCC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545427 519911648 /nfs/dbraw/zinc/91/16/48/519911648.db2.gz SKIMCHHWGJBTDL-HNNXBMFYSA-N 2 0 270.461 2.903 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183470 519913135 /nfs/dbraw/zinc/91/31/35/519913135.db2.gz YCIXYULKRPMSMI-HOTGVXAUSA-N 2 0 282.472 2.903 10 0 CFAERP CC[NH2+]CCCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416956 519919151 /nfs/dbraw/zinc/91/91/51/519919151.db2.gz OHYOYNJAFAKCMJ-GOSISDBHSA-N 2 0 289.467 2.755 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H](C)CC(C)C)O1 ZINC000052572050 519926501 /nfs/dbraw/zinc/92/65/01/519926501.db2.gz YOPWFVSOWUGDCK-HRCADAONSA-N 2 0 270.461 2.900 10 0 CFAERP CC[NH2+]C[C@@H](C(C)C)N(Cc1ccco1)C1CC1 ZINC000052370776 519929956 /nfs/dbraw/zinc/92/99/56/519929956.db2.gz NHZKSCXZDKOYIE-HNNXBMFYSA-N 2 0 250.386 2.878 10 0 CFAERP CCC[NH2+]Cc1ccc(OCC[N@H+](C)C(C)C)cc1 ZINC000052419601 519952085 /nfs/dbraw/zinc/95/20/85/519952085.db2.gz GNEUPBIDKDMVCS-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346396 519952947 /nfs/dbraw/zinc/95/29/47/519952947.db2.gz OYPKWQPALMRYFS-JKSUJKDBSA-N 2 0 296.842 2.929 10 0 CFAERP CCC[NH2+]Cc1ccccc1OCC[N@H+](C)CCC ZINC000052444495 519956498 /nfs/dbraw/zinc/95/64/98/519956498.db2.gz DQYPNBJLUDBKBZ-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCCCCC2)O1 ZINC000052482120 519978117 /nfs/dbraw/zinc/97/81/17/519978117.db2.gz CDNSLTGNFHNLTI-CVEARBPZSA-N 2 0 268.445 2.798 10 0 CFAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)C2)oc1C ZINC000052381243 519986659 /nfs/dbraw/zinc/98/66/59/519986659.db2.gz ZPPWJJKYCTYBGI-GFCCVEGCSA-N 2 0 250.386 2.929 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000052375892 519999498 /nfs/dbraw/zinc/99/94/98/519999498.db2.gz AWHJEAJNKHWQIV-AWEZNQCLSA-N 2 0 262.397 2.659 10 0 CFAERP CC[NH2+]Cc1nc(C[N@H+](CC)[C@@H](C)CC)cs1 ZINC000052450722 520021592 /nfs/dbraw/zinc/02/15/92/520021592.db2.gz FRLAFHKQOOUNPK-NSHDSACASA-N 2 0 255.431 2.873 10 0 CFAERP CC[NH2+]Cc1occc1C[N@@H+]1CCc2ccccc2C1 ZINC000052419111 520030881 /nfs/dbraw/zinc/03/08/81/520030881.db2.gz UYVNMYORDKXZHN-UHFFFAOYSA-N 2 0 270.376 2.947 10 0 CFAERP CC[NH2+][C@@H](C)CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000061275436 520072139 /nfs/dbraw/zinc/07/21/39/520072139.db2.gz ANHYUFRPRKPQFL-VHSXEESVSA-N 2 0 255.431 2.799 10 0 CFAERP CCCCC[NH2+]C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075264 520224294 /nfs/dbraw/zinc/22/42/94/520224294.db2.gz XPAIYLXMVOXIHI-HOTGVXAUSA-N 2 0 269.477 2.571 10 0 CFAERP CCCO[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050953630 520271273 /nfs/dbraw/zinc/27/12/73/520271273.db2.gz ONEMLIISPRXDAX-MRXNPFEDSA-N 2 0 268.445 2.657 10 0 CFAERP CCCO[C@H]1CCC[N@@H+]([C@@H](C)CC[NH2+]CC(C)C)C1 ZINC000052371686 520287015 /nfs/dbraw/zinc/28/70/15/520287015.db2.gz UNXHDXWVMTWLBO-HOTGVXAUSA-N 2 0 270.461 2.902 10 0 CFAERP CCO[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C12CCCC2 ZINC000178974822 520345403 /nfs/dbraw/zinc/34/54/03/520345403.db2.gz UYJMARFUNRXXPG-HZPDHXFCSA-N 2 0 280.456 2.656 10 0 CFAERP CCCC[N@H+](C)CCOc1ccc(C[NH2+]CC)cc1 ZINC000052417982 520409849 /nfs/dbraw/zinc/40/98/49/520409849.db2.gz PBXHABCODDXCAT-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CCCC[N@H+](C)CCOc1cccc(C[NH2+]CC)c1 ZINC000052417975 520410631 /nfs/dbraw/zinc/41/06/31/520410631.db2.gz QJLFVKXAHCDIQT-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CC1(C)C[N@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCO1 ZINC000052481773 520478152 /nfs/dbraw/zinc/47/81/52/520478152.db2.gz FOANZMBRGPEEHM-UHFFFAOYSA-N 2 0 274.408 2.549 10 0 CFAERP CCCC[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)[C@H](C)CC ZINC000052372714 520542400 /nfs/dbraw/zinc/54/24/00/520542400.db2.gz YJGDXOWVVZVJRU-OAHLLOKOSA-N 2 0 295.475 2.677 10 0 CFAERP CC[NH+](CC)CCc1nc(C)c(C[NH2+]C(C)C)s1 ZINC000052330658 520710989 /nfs/dbraw/zinc/71/09/89/520710989.db2.gz FPBNPUGTUIVOHU-UHFFFAOYSA-N 2 0 269.458 2.834 10 0 CFAERP CC[N@H+](CC1CC1)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000069262801 520958347 /nfs/dbraw/zinc/95/83/47/520958347.db2.gz RVGOINWQCGNMKZ-MRXNPFEDSA-N 2 0 268.445 2.513 10 0 CFAERP CC[N@H+](CC1CC1)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000069262804 520958620 /nfs/dbraw/zinc/95/86/20/520958620.db2.gz RVGOINWQCGNMKZ-INIZCTEOSA-N 2 0 268.445 2.513 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N(C)C1CC[NH+](CC)CC1 ZINC000069380510 521253333 /nfs/dbraw/zinc/25/33/33/521253333.db2.gz UIICMTKBMHZLLH-MRXNPFEDSA-N 2 0 269.477 2.700 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000069381090 521256409 /nfs/dbraw/zinc/25/64/09/521256409.db2.gz SDEHQTZPIDYUQO-DLBZAZTESA-N 2 0 281.488 2.844 10 0 CFAERP CCC(C)(C)[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069429361 521308825 /nfs/dbraw/zinc/30/88/25/521308825.db2.gz QEXISMMDDFLXID-GFCCVEGCSA-N 2 0 277.412 2.593 10 0 CFAERP CC[N@H+](Cc1cccs1)Cc1ccoc1C[NH3+] ZINC000052546357 521410613 /nfs/dbraw/zinc/41/06/13/521410613.db2.gz OBJNLITZDTWKLL-UHFFFAOYSA-N 2 0 250.367 2.822 10 0 CFAERP CC[N@H+](Cc1ccncc1)Cc1cc(F)ccc1C[NH3+] ZINC000069401334 521420700 /nfs/dbraw/zinc/42/07/00/521420700.db2.gz HAZWGQBRGMSUGP-UHFFFAOYSA-N 2 0 273.355 2.702 10 0 CFAERP CCC(CC)C[N@H+](CC)C[C@@H]1CC[C@H](C[NH2+]C)O1 ZINC000052540724 521519617 /nfs/dbraw/zinc/51/96/17/521519617.db2.gz FMIUCQKLTPZKGE-CABCVRRESA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH+]1CCN(Cc2cc(C)c(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052422592 521688325 /nfs/dbraw/zinc/68/83/25/521688325.db2.gz OLIDHWALIGRWSL-UHFFFAOYSA-N 2 0 293.455 2.614 10 0 CFAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c(C)o1 ZINC000052373469 522107788 /nfs/dbraw/zinc/10/77/88/522107788.db2.gz CINYDHBTQAHOHC-NEPJUHHUSA-N 2 0 250.386 2.928 10 0 CFAERP CC[C@@H](C)[NH+]1CCN([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055074358 522131367 /nfs/dbraw/zinc/13/13/67/522131367.db2.gz IMGRHKNHNHVSOH-HZPDHXFCSA-N 2 0 269.477 2.569 10 0 CFAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000151257809 522630059 /nfs/dbraw/zinc/63/00/59/522630059.db2.gz QGMUJLWJMRAKQY-ROUUACIJSA-N 2 0 290.451 2.883 10 0 CFAERP C[N@H+](CCC[NH2+]CCOCC(F)(F)F)C1CCCCC1 ZINC000049311013 522773440 /nfs/dbraw/zinc/77/34/40/522773440.db2.gz AOKRSWMIFUKOGD-UHFFFAOYSA-N 2 0 296.377 2.810 10 0 CFAERP C[N@H+](C[C@H]1CCCO1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374533 523127701 /nfs/dbraw/zinc/12/77/01/523127701.db2.gz PPWDPLACEVZEMV-OTTFEQOBSA-N 2 0 294.361 2.547 10 0 CFAERP COc1ccc(C)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000050705048 523809581 /nfs/dbraw/zinc/80/95/81/523809581.db2.gz ROBXTBPBMIAKLP-KBPBESRZSA-N 2 0 262.397 2.563 10 0 CFAERP COc1ccc(C)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000050705049 523809833 /nfs/dbraw/zinc/80/98/33/523809833.db2.gz ROBXTBPBMIAKLP-UONOGXRCSA-N 2 0 262.397 2.563 10 0 CFAERP CC[C@H](C)[N@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181196 523914760 /nfs/dbraw/zinc/91/47/60/523914760.db2.gz KKARTDWPUGKZGX-HNNXBMFYSA-N 2 0 270.461 2.759 10 0 CFAERP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000231465189 524010132 /nfs/dbraw/zinc/01/01/32/524010132.db2.gz ZDPUJRGVWRRCGY-CYBMUJFWSA-N 2 0 282.815 2.923 10 0 CFAERP CCc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])COC)cc1 ZINC000234141130 524027078 /nfs/dbraw/zinc/02/70/78/524027078.db2.gz WDQOIWVIVVUXAV-CZUORRHYSA-N 2 0 264.413 2.654 10 0 CFAERP C[NH+](C)CCCC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000045697622 524052872 /nfs/dbraw/zinc/05/28/72/524052872.db2.gz KQDBDVDHJIMHCG-SFHVURJKSA-N 2 0 286.419 2.805 10 0 CFAERP C[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417089 524478611 /nfs/dbraw/zinc/47/86/11/524478611.db2.gz BBMVBJJAYQZOPP-MRXNPFEDSA-N 2 0 289.467 2.581 10 0 CFAERP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000052380782 524617498 /nfs/dbraw/zinc/61/74/98/524617498.db2.gz DCLWHUXSKAISBJ-KBPBESRZSA-N 2 0 274.408 2.548 10 0 CFAERP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)CCc1ccccn1 ZINC000052423816 524733780 /nfs/dbraw/zinc/73/37/80/524733780.db2.gz MTWQHVHVXSSOLU-AWEZNQCLSA-N 2 0 263.429 2.580 10 0 CFAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1[C@@H]1CCCc2sccc21 ZINC000061363759 524901953 /nfs/dbraw/zinc/90/19/53/524901953.db2.gz DNBQVSOZIQPMKP-DMDPSCGWSA-N 2 0 250.411 2.937 10 0 CFAERP C[C@@H]([NH3+])c1ccc(F)cc1OCCC[NH+]1CCCC1 ZINC000062745105 525025873 /nfs/dbraw/zinc/02/58/73/525025873.db2.gz UZCLSZPVFMKLOR-GFCCVEGCSA-N 2 0 266.360 2.710 10 0 CFAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cn1 ZINC000335023240 525290804 /nfs/dbraw/zinc/29/08/04/525290804.db2.gz PZHBIIMRTXQUPB-GCVQQVDUSA-N 2 0 298.228 2.765 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1F ZINC000050565061 525642824 /nfs/dbraw/zinc/64/28/24/525642824.db2.gz OGXPODCQSWTYHK-WDEREUQCSA-N 2 0 263.360 2.730 10 0 CFAERP C[C@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(C)(C)CC1 ZINC000061818772 526166374 /nfs/dbraw/zinc/16/63/74/526166374.db2.gz FGGNTFBMACHFCT-CYBMUJFWSA-N 2 0 289.423 2.594 10 0 CFAERP c1ccc(OCCC[NH+]2CCC(C[NH2+]C3CC3)CC2)cc1 ZINC000061815955 526485124 /nfs/dbraw/zinc/48/51/24/526485124.db2.gz IVOQYZYTFIYSFG-UHFFFAOYSA-N 2 0 288.435 2.920 10 0 CFAERP c1ccc([C@H]2C[NH+]=C(NCC[NH+]3CCCCC3)S2)cc1 ZINC000049575371 526498288 /nfs/dbraw/zinc/49/82/88/526498288.db2.gz HOXXHCQIEIHRCE-OAHLLOKOSA-N 2 0 289.448 2.906 10 0 CFAERP Cc1oc(C[N@@H+](C)Cc2ccc(C)cc2)cc1C[NH3+] ZINC000052424635 526769601 /nfs/dbraw/zinc/76/96/01/526769601.db2.gz ZZOKRAHLCHLRKD-UHFFFAOYSA-N 2 0 258.365 2.987 10 0 CFAERP [NH3+]CCC[N@H+](CCOCC(F)(F)F)C1CCCCC1 ZINC000049310709 527178249 /nfs/dbraw/zinc/17/82/49/527178249.db2.gz ZVCJHKOVAUMFJE-UHFFFAOYSA-N 2 0 282.350 2.549 10 0 CFAERP [NH3+]CCC[N@H+](CCOCC(F)(F)F)C1CCCCCC1 ZINC000049310710 527179011 /nfs/dbraw/zinc/17/90/11/527179011.db2.gz MLHMVUYIXKLCME-UHFFFAOYSA-N 2 0 296.377 2.939 10 0 CFAERP [NH3+]CCc1cc(Cl)ccc1OCCC[NH+]1CCCC1 ZINC000049334084 527195097 /nfs/dbraw/zinc/19/50/97/527195097.db2.gz MRFBWSPTWCWLBO-UHFFFAOYSA-N 2 0 282.815 2.706 10 0 CFAERP [NH3+]Cc1ccc(F)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000069401128 527254960 /nfs/dbraw/zinc/25/49/60/527254960.db2.gz WNNCXMIUGCLHBO-UHFFFAOYSA-N 2 0 270.351 2.843 10 0 CFAERP [NH3+]Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702144 527260715 /nfs/dbraw/zinc/26/07/15/527260715.db2.gz IYCFPXBXEIKJTR-KRWDZBQOSA-N 2 0 282.387 2.799 10 0 CFAERP [NH3+]Cc1ccccc1OCC[NH+]1Cc2ccccc2C1 ZINC000050910462 527260832 /nfs/dbraw/zinc/26/08/32/527260832.db2.gz FSHZMIWLCYTLNV-UHFFFAOYSA-N 2 0 268.360 2.540 10 0 CFAERP Nc1[nH+]c2cccc(Cl)c2n1CC[NH+]1CCCCC1 ZINC000049575352 527561739 /nfs/dbraw/zinc/56/17/39/527561739.db2.gz BYYHENGEFZFYRC-UHFFFAOYSA-N 2 0 278.787 2.758 10 0 CFAERP CCC[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C)CC1 ZINC000034824213 534935662 /nfs/dbraw/zinc/93/56/62/534935662.db2.gz ITVJXIINOPAZQZ-UHFFFAOYSA-N 2 0 281.831 2.591 10 0 CFAERP COc1ccc([C@@H](C)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261939891 619335847 /nfs/dbraw/zinc/33/58/47/619335847.db2.gz DNPXACIIDCKWBI-HNNXBMFYSA-N 2 0 288.435 2.874 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000089148442 650829067 /nfs/dbraw/zinc/82/90/67/650829067.db2.gz GMYQVFQKJWFAQQ-RBZYPMLTSA-N 2 0 254.324 2.743 10 0 CFAERP C/C(=C/c1ccco1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000096794713 650998669 /nfs/dbraw/zinc/99/86/69/650998669.db2.gz IWYJDWJXRFYPQU-KAMYIIQDSA-N 2 0 260.381 2.758 10 0 CFAERP c1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000133562772 646157144 /nfs/dbraw/zinc/15/71/44/646157144.db2.gz PRSJKXFWJKHMNR-MSOLQXFVSA-N 2 0 287.451 2.555 10 0 CFAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000138963359 647141814 /nfs/dbraw/zinc/14/18/14/647141814.db2.gz YIEUUPZFUBZRPT-USXIJHARSA-N 2 0 256.393 2.649 10 0 CFAERP CC(C)[NH2+]Cc1sc(CC[NH+](C)C)nc1C(C)C ZINC000082434482 178011558 /nfs/dbraw/zinc/01/15/58/178011558.db2.gz AOUNUJJLEVXFLA-UHFFFAOYSA-N 2 0 269.458 2.869 10 0 CFAERP CCC[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000083383751 178387028 /nfs/dbraw/zinc/38/70/28/178387028.db2.gz FWCCOVSJZYJORY-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CCC(=O)Nc1cccc(C2CC[NH+](CCC[NH3+])CC2)c1 ZINC000139729487 347922454 /nfs/dbraw/zinc/92/24/54/347922454.db2.gz FHXSNCUMVUXYNW-UHFFFAOYSA-N 2 0 289.423 2.563 10 0 CFAERP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818501 179347639 /nfs/dbraw/zinc/34/76/39/179347639.db2.gz KZFLBZPDAGMQKD-HOCLYGCPSA-N 2 0 276.424 2.787 10 0 CFAERP CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818609 179346585 /nfs/dbraw/zinc/34/65/85/179346585.db2.gz IICDVSXEAVOKKU-OAHLLOKOSA-N 2 0 262.397 2.659 10 0 CFAERP CCN(C1CCCCC1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846375 179355782 /nfs/dbraw/zinc/35/57/82/179355782.db2.gz SPNUUOXLQLQPHW-QGZVFWFLSA-N 2 0 281.488 2.844 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)CC2CCCCC2)CC1 ZINC000086847916 179355954 /nfs/dbraw/zinc/35/59/54/179355954.db2.gz XZYGXHRMJBUDSS-KRWDZBQOSA-N 2 0 281.488 2.702 10 0 CFAERP CCCN(CC1CC1)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086847862 179356444 /nfs/dbraw/zinc/35/64/44/179356444.db2.gz CTWHMSZTCSGIBB-KRWDZBQOSA-N 2 0 281.488 2.700 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000086848253 179356482 /nfs/dbraw/zinc/35/64/82/179356482.db2.gz NBRHEILOFZXBCH-MRXNPFEDSA-N 2 0 269.477 2.556 10 0 CFAERP CC(C)CCN(C)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086847648 179357200 /nfs/dbraw/zinc/35/72/00/179357200.db2.gz JLFCOSXXGJGOSU-MRXNPFEDSA-N 2 0 269.477 2.556 10 0 CFAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@H](C(C)C)CC2)CC1 ZINC000086848947 179357769 /nfs/dbraw/zinc/35/77/69/179357769.db2.gz HNFSQRUPFYFVCS-ZWKOTPCHSA-N 2 0 295.515 2.948 10 0 CFAERP CCOC(=O)C[C@]1([NH+]2CCCC2)CCC[N@@H+](C(C)C)CC1 ZINC000086868519 179360532 /nfs/dbraw/zinc/36/05/32/179360532.db2.gz GSTILGKRIJYYQD-KRWDZBQOSA-N 2 0 296.455 2.669 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@@H]1CC2CCC1CC2 ZINC000400361030 348572552 /nfs/dbraw/zinc/57/25/52/348572552.db2.gz CBHZQRPMLDQILI-JHHKBOQQSA-N 2 0 250.430 2.789 10 0 CFAERP CC[NH2+]Cc1c(Cl)cccc1N(C)CCC[NH+](C)C ZINC000104189964 185922426 /nfs/dbraw/zinc/92/24/26/185922426.db2.gz NXOMKKQYDGABSD-UHFFFAOYSA-N 2 0 283.847 2.837 10 0 CFAERP C[NH+](C)CCCC[NH2+]Cc1ccnc2ccccc12 ZINC000104430018 185999178 /nfs/dbraw/zinc/99/91/78/185999178.db2.gz WMBFXUVTNZDDKE-UHFFFAOYSA-N 2 0 257.381 2.666 10 0 CFAERP Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000630565884 355113835 /nfs/dbraw/zinc/11/38/35/355113835.db2.gz BENSMXCJXUZDQN-WCQYABFASA-N 2 0 255.365 2.574 10 0 CFAERP Cc1cccc(NCC[C@@H]([NH3+])Cc2ccccc2)[nH+]1 ZINC000630574863 355115489 /nfs/dbraw/zinc/11/54/89/355115489.db2.gz VBNVUYLYQHTVOO-OAHLLOKOSA-N 2 0 255.365 2.762 10 0 CFAERP Cc1[nH+]ccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1Cl ZINC000385288034 540810762 /nfs/dbraw/zinc/81/07/62/540810762.db2.gz NTJFQWMIEUFBFA-FZMZJTMJSA-N 2 0 265.788 2.609 10 0 CFAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000034676124 372513077 /nfs/dbraw/zinc/51/30/77/372513077.db2.gz MRMPTFGZKCWEEH-FGTMMUONSA-N 2 0 295.515 2.674 10 0 CFAERP Cc1ccc2[nH+]ccc(NC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000073738640 374376937 /nfs/dbraw/zinc/37/69/37/374376937.db2.gz LYBHTWNQSOIAPS-CYBMUJFWSA-N 2 0 255.365 2.955 10 0 CFAERP CCc1cc(N2CCO[C@H](C[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000124792677 377090009 /nfs/dbraw/zinc/09/00/09/377090009.db2.gz KDRQLJUYMQKFCV-OAHLLOKOSA-N 2 0 299.418 2.564 10 0 CFAERP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172066326 379481296 /nfs/dbraw/zinc/48/12/96/379481296.db2.gz RHWXDSMMESCZAV-NVXWUHKLSA-N 2 0 260.425 2.891 10 0 CFAERP CC(C)[NH+]1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000343536182 381781288 /nfs/dbraw/zinc/78/12/88/381781288.db2.gz PRAZOORKEUBRIB-KBPBESRZSA-N 2 0 268.445 2.652 10 0 CFAERP C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358411482 382604124 /nfs/dbraw/zinc/60/41/24/382604124.db2.gz YXMIJELNJQHKRV-COPLHBTASA-N 2 0 252.789 2.941 10 0 CFAERP Cc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000193007526 382714492 /nfs/dbraw/zinc/71/44/92/382714492.db2.gz GBGIHHGTIQWNGT-INIZCTEOSA-N 2 0 293.455 2.655 10 0 CFAERP CCCC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195275560 382765723 /nfs/dbraw/zinc/76/57/23/382765723.db2.gz KKIFPIBZIUUCCR-INIZCTEOSA-N 2 0 261.413 2.635 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)ccc(Br)c1F ZINC000575440497 382771712 /nfs/dbraw/zinc/77/17/12/382771712.db2.gz ZMZUEHZZKLZZTN-VIFPVBQESA-N 2 0 293.155 2.856 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000575440238 382771754 /nfs/dbraw/zinc/77/17/54/382771754.db2.gz WTIZZSDAQIBPIU-LLVKDONJSA-N 2 0 275.165 2.717 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000575440474 382771770 /nfs/dbraw/zinc/77/17/70/382771770.db2.gz XLANGXKESIDEGE-NSHDSACASA-N 2 0 257.175 2.578 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)ccc1Br ZINC000575440464 382771815 /nfs/dbraw/zinc/77/18/15/382771815.db2.gz WTIZZSDAQIBPIU-NSHDSACASA-N 2 0 275.165 2.717 10 0 CFAERP C[C@@H]1CC(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000423097662 383042929 /nfs/dbraw/zinc/04/29/29/383042929.db2.gz JOVJYQFAHWNSQU-YLGOIMDESA-N 2 0 274.408 2.924 10 0 CFAERP CC[C@](C)(O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249325090 383340236 /nfs/dbraw/zinc/34/02/36/383340236.db2.gz GUGJOGGXANXRIW-MSOLQXFVSA-N 2 0 290.451 2.601 10 0 CFAERP C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568987636 383456688 /nfs/dbraw/zinc/45/66/88/383456688.db2.gz GTESFOFJCAVOOZ-HZPDHXFCSA-N 3 0 281.488 2.619 10 0 CFAERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261556987 383511000 /nfs/dbraw/zinc/51/10/00/383511000.db2.gz CLCAIFJXJGVFHW-KCQAQPDRSA-N 2 0 264.800 2.818 10 0 CFAERP [NH3+]C1CCC([NH2+]C[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000261558108 383511119 /nfs/dbraw/zinc/51/11/19/383511119.db2.gz XVGGUGXPHTVJMW-DAWZGUTISA-N 2 0 287.451 2.511 10 0 CFAERP C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261568333 383514997 /nfs/dbraw/zinc/51/49/97/383514997.db2.gz KBKTVBFHYCIDNB-HIFRSBDPSA-N 2 0 264.388 2.688 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)C[C@H]12 ZINC000261588739 383522897 /nfs/dbraw/zinc/52/28/97/383522897.db2.gz KIKOSWKDRVPLMF-IXDOHACOSA-N 2 0 256.393 2.733 10 0 CFAERP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000261596571 383525310 /nfs/dbraw/zinc/52/53/10/383525310.db2.gz AHXZXNSLRMDYCD-GVDBMIGSSA-N 2 0 281.403 2.712 10 0 CFAERP CC1(C)Cc2cccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2O1 ZINC000261632870 383532668 /nfs/dbraw/zinc/53/26/68/383532668.db2.gz HSKIFPYNKNHKAW-NUEKZKHPSA-N 2 0 286.419 2.569 10 0 CFAERP CCOc1c(Cl)cccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261950777 383583878 /nfs/dbraw/zinc/58/38/78/383583878.db2.gz NXZMKGNIWZEZKT-NJZAAPMLSA-N 2 0 294.826 2.908 10 0 CFAERP C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1[NH3+] ZINC000262104859 383605491 /nfs/dbraw/zinc/60/54/91/383605491.db2.gz VWAZSUDQOLPXQW-ABAIWWIYSA-N 2 0 274.339 2.865 10 0 CFAERP C[C@@]1(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC[NH2+]C1 ZINC000261752892 383553346 /nfs/dbraw/zinc/55/33/46/383553346.db2.gz KBJTZJMYFBBETP-HZPDHXFCSA-N 2 0 294.826 2.793 10 0 CFAERP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261823076 383566360 /nfs/dbraw/zinc/56/63/60/383566360.db2.gz IMVQFGJUGJGYDQ-MJBXVCDLSA-N 2 0 287.432 2.774 10 0 CFAERP Cc1nc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)sc1C ZINC000262236886 383613353 /nfs/dbraw/zinc/61/33/53/383613353.db2.gz OPOFVYAZDWJHOK-HNNXBMFYSA-N 2 0 293.480 2.939 10 0 CFAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000532511497 384039359 /nfs/dbraw/zinc/03/93/59/384039359.db2.gz TUAODYNKQOOPCZ-YIDVYQOGSA-N 2 0 252.446 2.987 10 0 CFAERP CC(C)OC1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000643475839 384655298 /nfs/dbraw/zinc/65/52/98/384655298.db2.gz PUQLKDXXXMECMY-WXLSXGNJSA-N 2 0 268.445 2.700 10 0 CFAERP Cc1cc(NC[C@@H]2CCC[NH2+]C2)c2ccccc2[nH+]1 ZINC000044503180 393565364 /nfs/dbraw/zinc/56/53/64/393565364.db2.gz WHHJZJDRWSNYLE-CYBMUJFWSA-N 2 0 255.365 2.955 10 0 CFAERP C[C@@H](CC[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263375 393686328 /nfs/dbraw/zinc/68/63/28/393686328.db2.gz ZEUFEDKGNARNQM-WMZOPIPTSA-N 2 0 290.451 2.617 10 0 CFAERP C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CC[NH2+]C1 ZINC000400444244 287010934 /nfs/dbraw/zinc/01/09/34/287010934.db2.gz PDNAZYMOIMZOBL-QKEWWQLBSA-N 2 0 264.335 2.695 10 0 CFAERP CC[NH+](CC)CC/[NH+]=c1\ccn(O)c2cc(Cl)ccc21 ZINC000005846456 170146768 /nfs/dbraw/zinc/14/67/68/170146768.db2.gz FYMJUWKJUJMPRB-SAPNQHFASA-N 2 0 293.798 2.775 10 0 CFAERP CC1CC[NH+](Cc2c3ccccc3n(C)c2C[NH3+])CC1 ZINC000009239732 170368341 /nfs/dbraw/zinc/36/83/41/170368341.db2.gz OFSRTBUBQZDZKN-UHFFFAOYSA-N 2 0 271.408 2.869 10 0 CFAERP CC1CC[NH+](CCC[NH2+]CCc2ccccc2)CC1 ZINC000020146240 171032813 /nfs/dbraw/zinc/03/28/13/171032813.db2.gz FWGIGOSXBQKYLZ-UHFFFAOYSA-N 2 0 260.425 2.941 10 0 CFAERP Cc1cc(C[NH2+]CCC[NH+]2CCCC2)cc(C)c1O ZINC000020307118 171142966 /nfs/dbraw/zinc/14/29/66/171142966.db2.gz YDZMSHPUTJPJFL-UHFFFAOYSA-N 2 0 262.397 2.585 10 0 CFAERP Cc1cccc(OC[C@H](CC[NH3+])[NH+]2CCCCC2)c1 ZINC000020402222 171182307 /nfs/dbraw/zinc/18/23/07/171182307.db2.gz GAPOFSCZVXXSGY-HNNXBMFYSA-N 2 0 262.397 2.577 10 0 CFAERP CC[NH+](CC)CCOc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629416 172309428 /nfs/dbraw/zinc/30/94/28/172309428.db2.gz UPZISTFNLYNOPP-CYBMUJFWSA-N 2 0 250.386 2.735 10 0 CFAERP C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210073 173031699 /nfs/dbraw/zinc/03/16/99/173031699.db2.gz CGTFUMMFLJYLMM-CHWSQXEVSA-N 2 0 252.427 2.611 10 0 CFAERP C=COCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000037221606 173041550 /nfs/dbraw/zinc/04/15/50/173041550.db2.gz OBOMHMALPHXXTK-HUUCEWRRSA-N 2 0 254.418 2.637 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028840 174017904 /nfs/dbraw/zinc/01/79/04/174017904.db2.gz YPMZZNHPQOVVBJ-ZACQAIPSSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028857 174018254 /nfs/dbraw/zinc/01/82/54/174018254.db2.gz RSSBVNLIYBXVMA-KZNAEPCWSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038096073 174110276 /nfs/dbraw/zinc/11/02/76/174110276.db2.gz ZRBIXXMCJLHJNG-ZBFHGGJFSA-N 2 0 268.445 2.656 10 0 CFAERP CC[NH+](CC)CCOc1cccc(F)c1[C@@H](C)[NH3+] ZINC000040240017 174212849 /nfs/dbraw/zinc/21/28/49/174212849.db2.gz IRJRDLGBEZZENC-LLVKDONJSA-N 2 0 254.349 2.566 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCCN(CC)C2)CC1 ZINC000040502630 174299352 /nfs/dbraw/zinc/29/93/52/174299352.db2.gz FHLVZLMCOQPDOV-RDJZCZTQSA-N 2 0 281.488 2.571 10 0 CFAERP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)c1 ZINC000040640575 174364519 /nfs/dbraw/zinc/36/45/19/174364519.db2.gz YROYAOQCOKDRGC-HNNXBMFYSA-N 2 0 262.397 2.515 10 0 CFAERP CCOC1CC[NH+](CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000040690173 174376927 /nfs/dbraw/zinc/37/69/27/174376927.db2.gz VPAASLNJUZWUPM-MRXNPFEDSA-N 2 0 262.397 2.577 10 0 CFAERP [NH3+][C@@H]1CCCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693972 174377679 /nfs/dbraw/zinc/37/76/79/174377679.db2.gz OEBKNZZAXXIXMI-MSOLQXFVSA-N 2 0 293.499 2.987 10 0 CFAERP [NH3+][C@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000040693968 174377757 /nfs/dbraw/zinc/37/77/57/174377757.db2.gz WFNCTZTUXXMJRZ-GOSISDBHSA-N 2 0 287.451 2.637 10 0 CFAERP [NH3+]C[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693787 174377812 /nfs/dbraw/zinc/37/78/12/174377812.db2.gz VXPMJKRGMUQPBU-SFHVURJKSA-N 2 0 287.451 2.637 10 0 CFAERP CC(C)[NH2+]CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694480 174378334 /nfs/dbraw/zinc/37/83/34/174378334.db2.gz GVUSOFLXFQPELR-UHFFFAOYSA-N 3 0 281.488 2.715 10 0 CFAERP C[C@H](CCc1ccc(O)cc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749148 174394198 /nfs/dbraw/zinc/39/41/98/174394198.db2.gz WIYFDZSSRPRVRS-OHRKKDJYSA-N 2 0 274.408 2.667 10 0 CFAERP Cc1ccc(C)c(OCC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750141 174394861 /nfs/dbraw/zinc/39/48/61/174394861.db2.gz JUMDOYHVPFGOFU-MQVJKMGUSA-N 2 0 274.408 2.636 10 0 CFAERP C[NH+](C)CCCCn1c(N)[nH+]c2cccc(Cl)c21 ZINC000041678338 174603671 /nfs/dbraw/zinc/60/36/71/174603671.db2.gz LAYNFUXUBZCNKH-UHFFFAOYSA-N 2 0 266.776 2.614 10 0 CFAERP CC(C)C[C@H](C)[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000042562678 174798465 /nfs/dbraw/zinc/79/84/65/174798465.db2.gz ALBYPZGPWDLQNG-KBPBESRZSA-N 2 0 291.439 2.839 10 0 CFAERP CC[NH+]1CCC(N(C)C[C@H]([NH3+])c2cc(C)ccc2C)CC1 ZINC000042616318 174830375 /nfs/dbraw/zinc/83/03/75/174830375.db2.gz WWCJSFWFEPEUFK-SFHVURJKSA-N 2 0 289.467 2.719 10 0 CFAERP C[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC([NH+](C)C)CC1 ZINC000043051566 174959766 /nfs/dbraw/zinc/95/97/66/174959766.db2.gz XTVQZAOJFRKXEH-BLLLJJGKSA-N 2 0 295.858 2.754 10 0 CFAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390167 175033875 /nfs/dbraw/zinc/03/38/75/175033875.db2.gz MLRXOCGXZXFDBJ-HNNXBMFYSA-N 2 0 299.821 2.507 10 0 CFAERP C(C[C@H]1CCC[NH2+]C1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000043591965 175074272 /nfs/dbraw/zinc/07/42/72/175074272.db2.gz KBBLFAIXBYANES-QGZVFWFLSA-N 3 0 293.499 2.717 10 0 CFAERP CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806026 175108693 /nfs/dbraw/zinc/10/86/93/175108693.db2.gz OFEPYTKDKVLDHZ-ULQDDVLXSA-N 2 0 295.515 2.817 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)C(C)C)c1 ZINC000043813267 175111094 /nfs/dbraw/zinc/11/10/94/175111094.db2.gz BKSVXOPVGXZUNE-GFCCVEGCSA-N 2 0 250.386 2.816 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815412 175112335 /nfs/dbraw/zinc/11/23/35/175112335.db2.gz QOXMTMQDNDIFKM-IRXDYDNUSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)CC)c1 ZINC000043820717 175114205 /nfs/dbraw/zinc/11/42/05/175114205.db2.gz PVQIQXJCDMYSPP-GFCCVEGCSA-N 2 0 250.386 2.817 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897155 175119810 /nfs/dbraw/zinc/11/98/10/175119810.db2.gz RMGRGMVKVUJHJF-ZACQAIPSSA-N 2 0 281.488 2.569 10 0 CFAERP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000043897363 175120112 /nfs/dbraw/zinc/12/01/12/175120112.db2.gz ZUPDGSSDDXTTDD-MSOLQXFVSA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccc(C)c(C)c1 ZINC000043897343 175120164 /nfs/dbraw/zinc/12/01/64/175120164.db2.gz YJORZCLZXCPMKP-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897406 175120698 /nfs/dbraw/zinc/12/06/98/175120698.db2.gz NBZDPYPMTPMFPT-QAPCUYQASA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)c1ccc(C)cc1 ZINC000043965440 175126534 /nfs/dbraw/zinc/12/65/34/175126534.db2.gz ALHXKBJORXGBJZ-KRWDZBQOSA-N 2 0 289.467 2.672 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967994 175129028 /nfs/dbraw/zinc/12/90/28/175129028.db2.gz YLIPMSVPPWMKJB-MSOLQXFVSA-N 2 0 293.499 2.715 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970510 175131051 /nfs/dbraw/zinc/13/10/51/175131051.db2.gz HANBAUOKUBUUNO-CVEARBPZSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[NH2+][C@@H]1CCOC[C@H]1N(C)[C@@H]1CCCC[C@@H]1C ZINC000043976837 175132672 /nfs/dbraw/zinc/13/26/72/175132672.db2.gz AFLMEYJXFZQQJT-ZJIFWQFVSA-N 2 0 268.445 2.654 10 0 CFAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977569 175133603 /nfs/dbraw/zinc/13/36/03/175133603.db2.gz UIZMBWFPYRQVCI-DIECFANBSA-N 2 0 282.472 2.900 10 0 CFAERP CC(C)[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000044132975 175144636 /nfs/dbraw/zinc/14/46/36/175144636.db2.gz MJMNRBZGQLJEHH-ROUUACIJSA-N 2 0 290.451 2.771 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2cccc(C)c2)[C@H]([NH3+])CC)CC1 ZINC000044418418 175173262 /nfs/dbraw/zinc/17/32/62/175173262.db2.gz RAXDCFINSCKIIH-MSOLQXFVSA-N 2 0 289.467 2.801 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044511636 175187786 /nfs/dbraw/zinc/18/77/86/175187786.db2.gz AVEYZFPOBQHMFN-ZDUSSCGKSA-N 2 0 262.397 2.735 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(O)c(OC)c2)CC1 ZINC000044517474 175190378 /nfs/dbraw/zinc/19/03/78/175190378.db2.gz CWGHHAUFEUNXNP-CYBMUJFWSA-N 2 0 292.423 2.783 10 0 CFAERP C[NH+]1CCC(CNc2ccc(N)c3c[nH+]ccc23)CC1 ZINC000044516764 175190641 /nfs/dbraw/zinc/19/06/41/175190641.db2.gz FQRLZMVEOSSFRN-UHFFFAOYSA-N 2 0 270.380 2.571 10 0 CFAERP CC[NH+]1CCC(C[NH2+]Cc2c(C)nc3sccn23)CC1 ZINC000044517755 175190777 /nfs/dbraw/zinc/19/07/77/175190777.db2.gz ACXNNRRRKOLWLV-UHFFFAOYSA-N 2 0 292.452 2.526 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2scnc2C)CC1 ZINC000044517852 175190934 /nfs/dbraw/zinc/19/09/34/175190934.db2.gz LSRWHXZOXJEYNF-LLVKDONJSA-N 2 0 267.442 2.834 10 0 CFAERP CC[NH+]1CCC(CN2Cc3ccccc3C2=[NH2+])CC1 ZINC000044518911 175191559 /nfs/dbraw/zinc/19/15/59/175191559.db2.gz GYFUIGRBYFVPRI-UHFFFAOYSA-N 2 0 257.381 2.559 10 0 CFAERP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000044533191 175197242 /nfs/dbraw/zinc/19/72/42/175197242.db2.gz LGOLUYWNSPERKG-MRXNPFEDSA-N 2 0 287.451 2.718 10 0 CFAERP COc1cccc(C2CC([NH2+]C[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000044533503 175197739 /nfs/dbraw/zinc/19/77/39/175197739.db2.gz JPYMFHYSVGCWOR-ODIFPOPNSA-N 2 0 288.435 2.873 10 0 CFAERP COc1ccc(C2CC([NH2+]C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000044533477 175197861 /nfs/dbraw/zinc/19/78/61/175197861.db2.gz AKRUMKYWVPZTBQ-OOHWJJMZSA-N 2 0 288.435 2.873 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)COCC)CC1 ZINC000044690799 175233552 /nfs/dbraw/zinc/23/35/52/175233552.db2.gz CPQRVYXEOBONMN-KBPBESRZSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH+]1CCC(NC(=O)C(C[NH3+])(CCC)CCC)CC1 ZINC000044806431 175256520 /nfs/dbraw/zinc/25/65/20/175256520.db2.gz RWDHGEGFNIVXDV-UHFFFAOYSA-N 2 0 297.487 2.522 10 0 CFAERP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000045171893 175321023 /nfs/dbraw/zinc/32/10/23/175321023.db2.gz AXMWLUSIDFOXQS-GVZPALNKSA-N 2 0 290.455 2.560 10 0 CFAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045372455 175364639 /nfs/dbraw/zinc/36/46/39/175364639.db2.gz HGKMJBCAKWPEBG-KRWDZBQOSA-N 2 0 297.487 2.665 10 0 CFAERP CC(C)[NH2+][C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379632 175368611 /nfs/dbraw/zinc/36/86/11/175368611.db2.gz BWZUWKXZIVFWSO-ZOBUZTSGSA-N 2 0 297.487 2.662 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045380630 175370501 /nfs/dbraw/zinc/37/05/01/175370501.db2.gz KWYMDFKZIUUPFK-MRXNPFEDSA-N 2 0 285.476 2.522 10 0 CFAERP CCCCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045388024 175373582 /nfs/dbraw/zinc/37/35/82/175373582.db2.gz GNZLVILICTWHKN-INIZCTEOSA-N 2 0 285.476 2.521 10 0 CFAERP CC[C@H](C)C[N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267651 176100945 /nfs/dbraw/zinc/10/09/45/176100945.db2.gz REWMPSCYVRKYRR-JTQLQIEISA-N 2 0 251.349 2.588 10 0 CFAERP CCC[NH+](CCC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267556 176100981 /nfs/dbraw/zinc/10/09/81/176100981.db2.gz LMCITDPYAJKTLF-UHFFFAOYSA-N 2 0 251.349 2.732 10 0 CFAERP Cc1ccc(OCC[NH+](C)C)c(C[NH2+]CC(C)C)c1 ZINC000071407367 176156268 /nfs/dbraw/zinc/15/62/68/176156268.db2.gz CBCFTWUXVCTSCV-UHFFFAOYSA-N 2 0 264.413 2.681 10 0 CFAERP COc1ccc(CC[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000076519264 177032221 /nfs/dbraw/zinc/03/22/21/177032221.db2.gz FBJRIFDIWHCMFN-MRXNPFEDSA-N 2 0 276.424 2.558 10 0 CFAERP CCC[C@@H](CC[NH3+])CCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000079244684 177455231 /nfs/dbraw/zinc/45/52/31/177455231.db2.gz JNDHBRLNLOTTFE-KFWWJZLASA-N 2 0 256.434 2.689 10 0 CFAERP C[C@H]1CCCN(c2cc[nH+]c3ccccc32)[C@@H]1C[NH3+] ZINC000070178436 299853361 /nfs/dbraw/zinc/85/33/61/299853361.db2.gz JOOFFJOPLVZLIW-BLLLJJGKSA-N 2 0 255.365 2.798 10 0 CFAERP C[C@H](CCCC[NH3+])[NH2+][C@H](C)COCc1ccccc1 ZINC000390555057 262216370 /nfs/dbraw/zinc/21/63/70/262216370.db2.gz GNCNAHYDQHMQHJ-HUUCEWRRSA-N 2 0 264.413 2.699 10 0 CFAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636003 277152640 /nfs/dbraw/zinc/15/26/40/277152640.db2.gz BVTLXIGKCFSFJA-KKUMJFAQSA-N 2 0 280.456 2.652 10 0 CFAERP C[C@H]1C[NH+](CCCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247039143 281004757 /nfs/dbraw/zinc/00/47/57/281004757.db2.gz PTRQKFXQHJGDJE-KBPBESRZSA-N 2 0 288.526 2.641 10 0 CFAERP C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000565821668 290327377 /nfs/dbraw/zinc/32/73/77/290327377.db2.gz ZATJZVUXBKJWSG-GXTWGEPZSA-N 2 0 266.816 2.860 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425083 519725572 /nfs/dbraw/zinc/72/55/72/519725572.db2.gz GYZYXZKFIFYQJD-HZPDHXFCSA-N 2 0 268.445 2.798 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150116 519853573 /nfs/dbraw/zinc/85/35/73/519853573.db2.gz GXJSXNUDKXHIIO-BBWFWOEESA-N 2 0 281.488 2.571 10 0 CFAERP CCC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052347070 519859070 /nfs/dbraw/zinc/85/90/70/519859070.db2.gz HRCCHVMJNHHFIJ-HOTGVXAUSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@@H](C)COC)CCCC1 ZINC000051251351 519909854 /nfs/dbraw/zinc/90/98/54/519909854.db2.gz PWRVTEJVSGQFHQ-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182300 519912613 /nfs/dbraw/zinc/91/26/13/519912613.db2.gz KDKMANXEMHCJND-CQSZACIVSA-N 2 0 270.461 2.759 10 0 CFAERP CCC[NH2+]CCCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055074425 519911552 /nfs/dbraw/zinc/91/15/52/519911552.db2.gz NMPFIFCHRNPNLF-MRXNPFEDSA-N 2 0 269.477 2.572 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H](C)C(C)(C)C)O1 ZINC000052504558 519927745 /nfs/dbraw/zinc/92/77/45/519927745.db2.gz KBMLAGJKOFBEDO-SOUVJXGZSA-N 2 0 270.461 2.900 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H](C)CC(C)C)O1 ZINC000052572051 519938971 /nfs/dbraw/zinc/93/89/71/519938971.db2.gz YOPWFVSOWUGDCK-ARFHVFGLSA-N 2 0 270.461 2.900 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1C ZINC000052375840 520009393 /nfs/dbraw/zinc/00/93/93/520009393.db2.gz AHCBCYSOSNSMGC-AWEZNQCLSA-N 2 0 262.397 2.659 10 0 CFAERP CCO[C@H]1CCC[N@H+](CCCC[NH2+]CC(C)C)C1 ZINC000052372076 520527657 /nfs/dbraw/zinc/52/76/57/520527657.db2.gz OAFCSLJEGKONOV-HNNXBMFYSA-N 2 0 256.434 2.513 10 0 CFAERP CCCN(CC[NH+](C)C)[C@@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000045663607 521658033 /nfs/dbraw/zinc/65/80/33/521658033.db2.gz JDVPDVAPVJASTN-UKRRQHHQSA-N 2 0 283.485 2.718 10 0 CFAERP CC[C@@H](C)[N@H+](CCCC1CC[NH2+]CC1)CCOC ZINC000050953688 522084670 /nfs/dbraw/zinc/08/46/70/522084670.db2.gz BPBDLWUCGBFVIF-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP C[NH2+][C@@H](C)c1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049331931 522336451 /nfs/dbraw/zinc/33/64/51/522336451.db2.gz JSTIHYYMJPQUPQ-AWEZNQCLSA-N 2 0 262.397 2.832 10 0 CFAERP CC(C)(C)[NH2+]C[C@]1(C[NH+]2CCCCCC2)CCOC1 ZINC000051210433 518762198 /nfs/dbraw/zinc/76/21/98/518762198.db2.gz DUDRQEBNPKWJAN-INIZCTEOSA-N 2 0 268.445 2.657 10 0 CFAERP CC(C)(c1ccc(F)cc1)[C@@H]([NH3+])Cc1c[nH+]ccc1N ZINC000069396740 519380721 /nfs/dbraw/zinc/38/07/21/519380721.db2.gz XJNWUJGGZATREC-HNNXBMFYSA-N 2 0 273.355 2.651 10 0 CFAERP CC(C)C[N@H+](C)CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000052452665 519708994 /nfs/dbraw/zinc/70/89/94/519708994.db2.gz IJVOIOGKCAFUAD-UHFFFAOYSA-N 2 0 276.424 2.905 10 0 CFAERP CC(C)C[N@H+](CCCOc1ccccc1)CCC(N)=[NH2+] ZINC000061815887 519715393 /nfs/dbraw/zinc/71/53/93/519715393.db2.gz YZUZODINFBCMQA-UHFFFAOYSA-N 2 0 277.412 2.740 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000052180807 519742844 /nfs/dbraw/zinc/74/28/44/519742844.db2.gz VAGZCRPPCHKPMO-MRXNPFEDSA-N 2 0 282.472 2.761 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000053011828 519745960 /nfs/dbraw/zinc/74/59/60/519745960.db2.gz NCBLWPDCGQXWDD-MRXNPFEDSA-N 2 0 278.415 2.936 10 0 CFAERP CC(C)[C@@H]1CN(CCC[NH+](C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000062706027 519804510 /nfs/dbraw/zinc/80/45/10/519804510.db2.gz QKCKXSIUADOUHB-ROUUACIJSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)C(CC)CC)CCOCC1 ZINC000052181720 519909973 /nfs/dbraw/zinc/90/99/73/519909973.db2.gz NLSSBFMAKIPALM-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CC)CCOCC1 ZINC000052180406 519910796 /nfs/dbraw/zinc/91/07/96/519910796.db2.gz KAXCJOPWAWVULN-HNNXBMFYSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[NH2+]CCCCC[N@H+](CCOC)[C@H](C)C1CC1 ZINC000052545428 519911623 /nfs/dbraw/zinc/91/16/23/519911623.db2.gz SKIMCHHWGJBTDL-OAHLLOKOSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+]CC[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372974 519919352 /nfs/dbraw/zinc/91/93/52/519919352.db2.gz VFIPTVQXYZNLPU-AWEZNQCLSA-N 2 0 264.413 2.905 10 0 CFAERP CCC[NH2+]C[C@@]1(C[N@H+](CC)CC2CC2)CCCOC1 ZINC000069239938 519929829 /nfs/dbraw/zinc/92/98/29/519929829.db2.gz KLPBPRRFPIMEEP-MRXNPFEDSA-N 2 0 268.445 2.515 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419169 519938180 /nfs/dbraw/zinc/93/81/80/519938180.db2.gz KIHUDLWGDSMGJP-QZTJIDSGSA-N 2 0 288.435 2.592 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)CC(C)C)O1 ZINC000052449894 519938695 /nfs/dbraw/zinc/93/86/95/519938695.db2.gz HLZXKNBODYIDHG-HUUCEWRRSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH2+]Cc1ccc(OCC[N@H+](C)CCC)cc1 ZINC000052444509 519951823 /nfs/dbraw/zinc/95/18/23/519951823.db2.gz MHIZLYPJOGDQFM-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346399 519976919 /nfs/dbraw/zinc/97/69/19/519976919.db2.gz OYPKWQPALMRYFS-CVEARBPZSA-N 2 0 296.842 2.929 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346397 519979289 /nfs/dbraw/zinc/97/92/89/519979289.db2.gz OYPKWQPALMRYFS-HZPDHXFCSA-N 2 0 296.842 2.929 10 0 CFAERP CC[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000052420614 519994813 /nfs/dbraw/zinc/99/48/13/519994813.db2.gz LGRMGRCOLKTFNO-STQMWFEESA-N 2 0 250.386 2.867 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@H+](CC)C(C)C)cc1 ZINC000052446836 519999252 /nfs/dbraw/zinc/99/92/52/519999252.db2.gz GJNAJUKZTVHJJS-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)[C@@H]1CCSC1 ZINC000052453328 520009007 /nfs/dbraw/zinc/00/90/07/520009007.db2.gz AVYHWVBJTUHOQL-OAHLLOKOSA-N 2 0 294.464 2.612 10 0 CFAERP CC[NH2+]Cc1ccoc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420573 520014104 /nfs/dbraw/zinc/01/41/04/520014104.db2.gz LOGYCMYXFRRXOU-CHWSQXEVSA-N 2 0 250.386 2.867 10 0 CFAERP CCCC[N@H+](CC1(C[NH2+]CC)CCOCC1)C1CC1 ZINC000052182573 520484473 /nfs/dbraw/zinc/48/44/73/520484473.db2.gz YYJBQDNKQBOPAE-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CC1CCC([N@H+](C)Cc2csc(C[NH3+])n2)CC1 ZINC000052345405 520937234 /nfs/dbraw/zinc/93/72/34/520937234.db2.gz FOILXRCTVUFIOS-UHFFFAOYSA-N 2 0 253.415 2.612 10 0 CFAERP CCC(CC)(C[NH2+]C(C)(C)C)C[N@@H+]1CCC[C@H]1CO ZINC000051254919 521440363 /nfs/dbraw/zinc/44/03/63/521440363.db2.gz ORATXHBXJREJFI-AWEZNQCLSA-N 2 0 270.461 2.638 10 0 CFAERP CCc1ccccc1[C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000052203865 521929992 /nfs/dbraw/zinc/92/99/92/521929992.db2.gz AUXBSGVLEJWBFL-GOSISDBHSA-N 2 0 291.483 2.768 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183519 521968938 /nfs/dbraw/zinc/96/89/38/521968938.db2.gz TUXPRPCFXKXYEG-LSDHHAIUSA-N 2 0 268.445 2.513 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000052182649 521969380 /nfs/dbraw/zinc/96/93/80/521969380.db2.gz OJSJRZPRWRIOLD-HUUCEWRRSA-N 2 0 268.445 2.513 10 0 CFAERP C[NH2+]Cc1cc(C[N@H+](CC(C)C)C2CC2)c(C)o1 ZINC000052515922 522102905 /nfs/dbraw/zinc/10/29/05/522102905.db2.gz BHAFIKNVFQEYEE-UHFFFAOYSA-N 2 0 250.386 2.928 10 0 CFAERP C[NH2+]Cc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000052420705 522121891 /nfs/dbraw/zinc/12/18/91/522121891.db2.gz QKONHUAMYCWXQZ-HUUCEWRRSA-N 2 0 276.424 2.763 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420692 522140496 /nfs/dbraw/zinc/14/04/96/522140496.db2.gz CGLSRBSTYWJDKF-GJZGRUSLSA-N 2 0 276.424 2.763 10 0 CFAERP C[NH2+][C@H](C)c1c(F)cccc1N1CC[NH+](CC2CC2)CC1 ZINC000048994219 522444485 /nfs/dbraw/zinc/44/44/85/522444485.db2.gz YPLXLLMPSSKELF-CYBMUJFWSA-N 2 0 291.414 2.638 10 0 CFAERP CC[C@@H](C[NH2+]C(C)C)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416944 522544645 /nfs/dbraw/zinc/54/46/45/522544645.db2.gz ZRYZTXNTYLAOAJ-ZWKOTPCHSA-N 2 0 289.467 2.752 10 0 CFAERP COC1CC[NH+](Cc2occc2C[NH2+]CC(C)C)CC1 ZINC000052455196 522707356 /nfs/dbraw/zinc/70/73/56/522707356.db2.gz FJDMGMONKQANKU-UHFFFAOYSA-N 2 0 280.412 2.636 10 0 CFAERP COC1CC[NH+]([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052455357 522707907 /nfs/dbraw/zinc/70/79/07/522707907.db2.gz RWMRZDVOABPDFP-ZDUSSCGKSA-N 2 0 256.434 2.654 10 0 CFAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)[C@@H]1CCSC1 ZINC000052453531 522730340 /nfs/dbraw/zinc/73/03/40/522730340.db2.gz IYLBVTJIFPXBSQ-CYBMUJFWSA-N 2 0 258.475 2.982 10 0 CFAERP CC[C@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052181831 523089528 /nfs/dbraw/zinc/08/95/28/523089528.db2.gz RVFXWDWBLGNTKC-HNNXBMFYSA-N 2 0 280.456 2.657 10 0 CFAERP COCC[N@H+](CCC[C@H]1CCCC[NH2+]1)CC(C)C ZINC000050953600 523695297 /nfs/dbraw/zinc/69/52/97/523695297.db2.gz DYTVPYQRNUXMRA-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP C[C@@H]1CCC[N@H+](CCOc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563648 524231451 /nfs/dbraw/zinc/23/14/51/524231451.db2.gz RQHRUUYXOXXXNY-ZIAGYGMSSA-N 2 0 262.397 2.645 10 0 CFAERP C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=[NH2+])cc2F)[C@@H]1C ZINC000050565060 524234080 /nfs/dbraw/zinc/23/40/80/524234080.db2.gz OGXPODCQSWTYHK-GHMZBOCLSA-N 2 0 263.360 2.730 10 0 CFAERP C[C@H](C[NH+]1CCCC1)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049185006 524321506 /nfs/dbraw/zinc/32/15/06/524321506.db2.gz BWFKUPNHGKOSJF-SNVBAGLBSA-N 2 0 278.787 2.929 10 0 CFAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C1CCN(C)CC1 ZINC000052419888 524457778 /nfs/dbraw/zinc/45/77/78/524457778.db2.gz XPSYQMNQDNKWAC-AWEZNQCLSA-N 2 0 269.477 2.569 10 0 CFAERP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)CCc1ccncc1 ZINC000052483064 524732343 /nfs/dbraw/zinc/73/23/43/524732343.db2.gz SNTOALVKHIHNOC-AWEZNQCLSA-N 2 0 263.429 2.580 10 0 CFAERP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049156022 524939276 /nfs/dbraw/zinc/93/92/76/524939276.db2.gz DTUVGODIKOGNJM-KCQAQPDRSA-N 2 0 266.454 2.999 10 0 CFAERP C[C@@H]1C[N@@H+](CCCCC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380747 524941524 /nfs/dbraw/zinc/94/15/24/524941524.db2.gz XRYWXYKXQFCXKX-OKILXGFUSA-N 2 0 256.434 2.654 10 0 CFAERP C[C@@H]1C[NH+](CCCCC[NH2+]C(C)(C)C)C[C@@H](C)O1 ZINC000052380751 524942397 /nfs/dbraw/zinc/94/23/97/524942397.db2.gz XRYWXYKXQFCXKX-ZIAGYGMSSA-N 2 0 256.434 2.654 10 0 CFAERP C[C@@H]1C[C@H](C[NH+]2CCC(c3nccs3)CC2)CC[NH2+]1 ZINC000335179752 525408151 /nfs/dbraw/zinc/40/81/51/525408151.db2.gz XEVFMVNGRHGOOE-CHWSQXEVSA-N 2 0 279.453 2.711 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2[C@@H](C)C[NH+]1CCCCC1 ZINC000049502330 526219577 /nfs/dbraw/zinc/21/95/77/526219577.db2.gz OPFFEPTZFXTHSV-ZDUSSCGKSA-N 2 0 272.396 2.974 10 0 CFAERP [NH3+]Cc1c(Cl)cccc1N1CC[NH+](C2CCCC2)CC1 ZINC000052062535 527243401 /nfs/dbraw/zinc/24/34/01/527243401.db2.gz ZEFFYCCJRUURHF-UHFFFAOYSA-N 2 0 293.842 2.863 10 0 CFAERP [NH3+]Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061702142 527257703 /nfs/dbraw/zinc/25/77/03/527257703.db2.gz POOUNTKKFBBTNS-SFHVURJKSA-N 2 0 282.387 2.799 10 0 CFAERP C[C@]1(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697414 618285595 /nfs/dbraw/zinc/28/55/95/618285595.db2.gz CAEUMVPNBPGADH-BZSNNMDCSA-N 2 0 288.435 2.574 10 0 CFAERP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261772125 618426758 /nfs/dbraw/zinc/42/67/58/618426758.db2.gz DSWLINRWIQFNBT-IAGOWNOFSA-N 2 0 287.451 2.587 10 0 CFAERP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000020523992 618805975 /nfs/dbraw/zinc/80/59/75/618805975.db2.gz WBIPRUKIFNRYGW-HQSKLWIPSA-N 2 0 287.451 2.504 10 0 CFAERP C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261998014 619361886 /nfs/dbraw/zinc/36/18/86/619361886.db2.gz TTYWOMHDXAOVJY-YOEHRIQHSA-N 2 0 276.399 2.789 10 0 CFAERP CCc1nccn1[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171746648 623241465 /nfs/dbraw/zinc/24/14/65/623241465.db2.gz ZRVNPDXGFWGOMI-ZDUSSCGKSA-N 2 0 265.477 2.960 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089149140 650829045 /nfs/dbraw/zinc/82/90/45/650829045.db2.gz ABTWUJGSLRCXAH-SUHUHFCYSA-N 2 0 266.360 2.612 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089149138 650829097 /nfs/dbraw/zinc/82/90/97/650829097.db2.gz ABTWUJGSLRCXAH-ZKYQVNSYSA-N 2 0 266.360 2.612 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000251227451 650985606 /nfs/dbraw/zinc/98/56/06/650985606.db2.gz ABTWUJGSLRCXAH-JKOKRWQUSA-N 2 0 266.360 2.612 10 0 CFAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000138963623 647141787 /nfs/dbraw/zinc/14/17/87/647141787.db2.gz YIEUUPZFUBZRPT-UAGQMJEPSA-N 2 0 256.393 2.649 10 0 CFAERP Cc1csc([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262063139 293054424 /nfs/dbraw/zinc/05/44/24/293054424.db2.gz RINGHDUCTXKUTL-UKRRQHHQSA-N 2 0 279.453 2.631 10 0 CFAERP CC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1CC ZINC000082425772 178000279 /nfs/dbraw/zinc/00/02/79/178000279.db2.gz YYOACRCJABACFK-UHFFFAOYSA-N 2 0 269.458 2.699 10 0 CFAERP C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccc(C)cc21 ZINC000082509308 178075630 /nfs/dbraw/zinc/07/56/30/178075630.db2.gz YVTRIYOZXQXIJQ-CQSZACIVSA-N 2 0 260.381 2.502 10 0 CFAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000151343461 529612401 /nfs/dbraw/zinc/61/24/01/529612401.db2.gz DCSNXMRMSJWTBO-SJORKVTESA-N 2 0 282.472 2.782 10 0 CFAERP CCCC1CC[NH+](CCCC[C@@](C)(CO)[NH2+]C)CC1 ZINC000085210938 178973643 /nfs/dbraw/zinc/97/36/43/178973643.db2.gz MAWLXISHZANJTB-INIZCTEOSA-N 2 0 270.461 2.639 10 0 CFAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017277 346325877 /nfs/dbraw/zinc/32/58/77/346325877.db2.gz YKSNSQNHZKYWKV-XJKSGUPXSA-N 2 0 289.423 2.594 10 0 CFAERP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086818846 179348052 /nfs/dbraw/zinc/34/80/52/179348052.db2.gz ISCGWZFNQUXEEV-HIFRSBDPSA-N 2 0 292.423 2.839 10 0 CFAERP CC[N@@H+]1CCC[C@@H](NCC[NH+](C(C)C)C(C)C)CC1 ZINC000086834821 179349564 /nfs/dbraw/zinc/34/95/64/179349564.db2.gz PBDCUZVBSURDJZ-MRXNPFEDSA-N 2 0 269.477 2.569 10 0 CFAERP C[NH+](C)Cc1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818512 179346556 /nfs/dbraw/zinc/34/65/56/179346556.db2.gz NATSZTDQJMRFEM-OAHLLOKOSA-N 2 0 261.413 2.644 10 0 CFAERP C[N@H+](CCCN[C@H]1CCC[NH+](C)CC1)C1CCCCC1 ZINC000086818801 179346846 /nfs/dbraw/zinc/34/68/46/179346846.db2.gz PZYSPNXQPCPFMU-INIZCTEOSA-N 2 0 281.488 2.715 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848385 179355999 /nfs/dbraw/zinc/35/59/99/179355999.db2.gz VDWNXSZMJSGGGL-KRWDZBQOSA-N 2 0 293.430 2.854 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCC3(CCCC3)CC2)CC1 ZINC000086848607 179356593 /nfs/dbraw/zinc/35/65/93/179356593.db2.gz UMRRDMDLLDSNRY-SFHVURJKSA-N 2 0 293.499 2.846 10 0 CFAERP CCCCCN(C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846886 179356842 /nfs/dbraw/zinc/35/68/42/179356842.db2.gz QNRSAWIDPLLISY-INIZCTEOSA-N 2 0 269.477 2.700 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000086836127 179350709 /nfs/dbraw/zinc/35/07/09/179350709.db2.gz CIOLMBIAGHOVJQ-HOCLYGCPSA-N 2 0 261.413 2.997 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846418 179355699 /nfs/dbraw/zinc/35/56/99/179355699.db2.gz RZGHYWVERVWSBW-IXDOHACOSA-N 2 0 281.488 2.558 10 0 CFAERP C[NH+](C)Cc1cccc(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089142119 179720611 /nfs/dbraw/zinc/72/06/11/179720611.db2.gz BMSNUWRVKSMSFI-GOEBONIOSA-N 2 0 261.413 2.678 10 0 CFAERP C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)[C@H]1CCC[NH2+]C1 ZINC000565539879 290308184 /nfs/dbraw/zinc/30/81/84/290308184.db2.gz NZVJDHAWVOLZRD-WVTZPBJPSA-N 2 0 250.430 2.790 10 0 CFAERP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839401 355601375 /nfs/dbraw/zinc/60/13/75/355601375.db2.gz FYZGVJOFWDHPDY-WZRBSPASSA-N 2 0 284.350 2.876 10 0 CFAERP Cc1cc(C)cc(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231670101 540238497 /nfs/dbraw/zinc/23/84/97/540238497.db2.gz YRFGQIYDOBBWBP-INIZCTEOSA-N 2 0 276.424 2.756 10 0 CFAERP Clc1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000178958001 189157563 /nfs/dbraw/zinc/15/75/63/189157563.db2.gz YNDBHDMJPOEXBK-INIZCTEOSA-N 2 0 294.826 2.713 10 0 CFAERP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000129273458 377407406 /nfs/dbraw/zinc/40/74/06/377407406.db2.gz NARAXWQQVZXVLY-DGCLKSJQSA-N 2 0 252.427 2.719 10 0 CFAERP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000179403718 380540165 /nfs/dbraw/zinc/54/01/65/380540165.db2.gz ZSFKEYNLUUPEAY-NCOADZHNSA-N 2 0 282.472 2.638 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000400737984 380864994 /nfs/dbraw/zinc/86/49/94/380864994.db2.gz KKNLESWHFUGHEG-YPMHNXCESA-N 2 0 297.240 2.579 10 0 CFAERP C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400480309 380861150 /nfs/dbraw/zinc/86/11/50/380861150.db2.gz FIYLYKWINOPHEC-UKRRQHHQSA-N 2 0 254.377 2.927 10 0 CFAERP CC[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000402537555 380886061 /nfs/dbraw/zinc/88/60/61/380886061.db2.gz CTDPNXKKIZNKMX-VWYCJHECSA-N 2 0 252.324 2.553 10 0 CFAERP CCC[NH+]1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000343583124 381815892 /nfs/dbraw/zinc/81/58/92/381815892.db2.gz AMLWAEQSIWECRX-KBPBESRZSA-N 2 0 268.445 2.654 10 0 CFAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000186595543 381960255 /nfs/dbraw/zinc/96/02/55/381960255.db2.gz BIPWJQYYRPESDC-IKGGRYGDSA-N 2 0 295.515 2.817 10 0 CFAERP COc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000382275779 382529206 /nfs/dbraw/zinc/52/92/06/382529206.db2.gz FYZQZQSNUMFJON-DVOMOZLQSA-N 2 0 262.397 2.673 10 0 CFAERP C[C@@H](CC[NH2+]C[C@H](O)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000379659313 382507099 /nfs/dbraw/zinc/50/70/99/382507099.db2.gz ZOJNPJBXKHVXQQ-RDJZCZTQSA-N 2 0 292.467 2.894 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000380768426 382516482 /nfs/dbraw/zinc/51/64/82/382516482.db2.gz RDSDYFNRWQGTFM-DAXOMENPSA-N 2 0 294.826 2.778 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@@](C)(CO)[NH2+]C ZINC000085239369 184606980 /nfs/dbraw/zinc/60/69/80/184606980.db2.gz PAUHSGCIZMJAQC-HNNXBMFYSA-N 2 0 258.450 2.639 10 0 CFAERP CCC[NH+](CCC)CCCC[C@](C)(CO)[NH2+]CC ZINC000085238892 184607234 /nfs/dbraw/zinc/60/72/34/184607234.db2.gz RWEKJHNMCASOOL-OAHLLOKOSA-N 2 0 258.450 2.639 10 0 CFAERP [NH3+]CCC[C@H]([NH3+])c1ccc(Cl)cc1Br ZINC000575440161 382771758 /nfs/dbraw/zinc/77/17/58/382771758.db2.gz LLXVAEXDBYJAMR-JTQLQIEISA-N 2 0 277.593 2.841 10 0 CFAERP CN(Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000231461325 382864945 /nfs/dbraw/zinc/86/49/45/382864945.db2.gz PTYRLUYRHLZBDZ-GFCCVEGCSA-N 2 0 254.324 2.539 10 0 CFAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000261558883 383511417 /nfs/dbraw/zinc/51/14/17/383511417.db2.gz SVUXSUCBVSGIQW-IACUBPJLSA-N 2 0 250.411 2.534 10 0 CFAERP Cc1ncsc1C[N@H+](C[C@@H]1C[C@H]1C)C[C@@H]1CC[NH2+]C1 ZINC000261921875 383580296 /nfs/dbraw/zinc/58/02/96/383580296.db2.gz KPIIFBYXJUNQGU-BNOWGMLFSA-N 2 0 279.453 2.519 10 0 CFAERP CCc1csc([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261961732 383586977 /nfs/dbraw/zinc/58/69/77/383586977.db2.gz HJJJVDPGBCSJPS-BBRMVZONSA-N 2 0 293.480 2.885 10 0 CFAERP C[C@]1(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC[NH2+]C1 ZINC000261752883 383554255 /nfs/dbraw/zinc/55/42/55/383554255.db2.gz KBJTZJMYFBBETP-CVEARBPZSA-N 2 0 294.826 2.793 10 0 CFAERP CCOCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000573305624 383907709 /nfs/dbraw/zinc/90/77/09/383907709.db2.gz FFPUXHUSOPFWOH-GJZGRUSLSA-N 2 0 276.424 2.701 10 0 CFAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CN(C)C[C@H]1C ZINC000532511496 384038749 /nfs/dbraw/zinc/03/87/49/384038749.db2.gz TUAODYNKQOOPCZ-QCODTGAPSA-N 2 0 252.446 2.987 10 0 CFAERP C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643481423 384656372 /nfs/dbraw/zinc/65/63/72/384656372.db2.gz IAIHRNBWKRAPSS-VFPGXZCRSA-N 2 0 288.435 2.712 10 0 CFAERP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400337335 533453325 /nfs/dbraw/zinc/45/33/25/533453325.db2.gz HTGNPHIHQFRVBC-PWSUYJOCSA-N 2 0 283.213 2.537 10 0 CFAERP COCC[N@@H+]1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@H]1C ZINC000185641049 393535771 /nfs/dbraw/zinc/53/57/71/393535771.db2.gz NFVQMWRNPRSEFO-OAHLLOKOSA-N 2 0 299.418 2.700 10 0 CFAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381668280 393565530 /nfs/dbraw/zinc/56/55/30/393565530.db2.gz KSQHKVXLXOIRKJ-STQMWFEESA-N 2 0 260.372 2.743 10 0 CFAERP CC[NH+](CC)CCCC1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000118981087 393912421 /nfs/dbraw/zinc/91/24/21/393912421.db2.gz RBKKFNNPEZLRAS-QGZVFWFLSA-N 2 0 284.488 2.981 10 0 CFAERP Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000171939353 394372744 /nfs/dbraw/zinc/37/27/44/394372744.db2.gz NYRGVYGVMDASQD-CQSZACIVSA-N 2 0 267.376 2.828 10 0 CFAERP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000394523433 397549560 /nfs/dbraw/zinc/54/95/60/397549560.db2.gz WKAPJOGZNHFNPT-WCQYABFASA-N 2 0 260.372 2.871 10 0 CFAERP CC(C)Cn1c2ccccc2nc1NCC[NH+](C)C ZINC000005817390 170142812 /nfs/dbraw/zinc/14/28/12/170142812.db2.gz KXDGKIDKWGYQIN-UHFFFAOYSA-N 2 0 260.385 2.666 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000020365691 171164242 /nfs/dbraw/zinc/16/42/42/171164242.db2.gz QBLMMGYJBITTLZ-GJZGRUSLSA-N 2 0 299.503 2.780 10 0 CFAERP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365688 171164276 /nfs/dbraw/zinc/16/42/76/171164276.db2.gz LMRROSWOEOHSNG-JYJNAYRXSA-N 2 0 299.503 2.780 10 0 CFAERP CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365665 171164278 /nfs/dbraw/zinc/16/42/78/171164278.db2.gz GWCBGDQJZBYHNG-CVEARBPZSA-N 2 0 299.503 2.781 10 0 CFAERP CCC[NH+]1CCC(C[NH3+])(N(CC)C2CCCCC2)CC1 ZINC000035176746 172030038 /nfs/dbraw/zinc/03/00/38/172030038.db2.gz WURQZWWCYOCBFN-UHFFFAOYSA-N 2 0 281.488 2.844 10 0 CFAERP CC[NH+](CC)CCOc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629417 172310056 /nfs/dbraw/zinc/31/00/56/172310056.db2.gz UPZISTFNLYNOPP-ZDUSSCGKSA-N 2 0 250.386 2.735 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccco2)C1 ZINC000035661428 172339867 /nfs/dbraw/zinc/33/98/67/172339867.db2.gz IIGYOLHRAVYWSA-ZIAGYGMSSA-N 2 0 250.386 2.532 10 0 CFAERP COc1ccccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037209032 173030563 /nfs/dbraw/zinc/03/05/63/173030563.db2.gz VOMOGYUGECXHJG-CYBMUJFWSA-N 2 0 262.397 2.515 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCCOCC)CC1 ZINC000037210308 173033147 /nfs/dbraw/zinc/03/31/47/173033147.db2.gz FHSOQXDBJWISPI-CQSZACIVSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)c2ccncc2)CC1 ZINC000037220129 173037875 /nfs/dbraw/zinc/03/78/75/173037875.db2.gz AQPWZMFTXGFMNZ-ZIAGYGMSSA-N 2 0 261.413 2.853 10 0 CFAERP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000037220962 173039835 /nfs/dbraw/zinc/03/98/35/173039835.db2.gz AHVRXJYOBKLSMB-FRFSOERESA-N 2 0 258.409 2.994 10 0 CFAERP C=COCCC[NH2+][C@H](C)C1CC[NH+](CCC)CC1 ZINC000037221599 173041306 /nfs/dbraw/zinc/04/13/06/173041306.db2.gz HPUQGFJCKALIGQ-CQSZACIVSA-N 2 0 254.418 2.637 10 0 CFAERP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000037221930 173042517 /nfs/dbraw/zinc/04/25/17/173042517.db2.gz NVFKUCIVSKYEOY-TZMCWYRMSA-N 2 0 250.361 2.646 10 0 CFAERP CCc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)s1 ZINC000037538068 173257578 /nfs/dbraw/zinc/25/75/78/173257578.db2.gz JQONGPSQYOXSEG-UHFFFAOYSA-N 2 0 252.427 2.884 10 0 CFAERP Cc1c[nH+]ccc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656608181 414616343 /nfs/dbraw/zinc/61/63/43/414616343.db2.gz DCUVKNIENWHZLK-OAHLLOKOSA-N 2 0 259.397 2.606 10 0 CFAERP CC(C)Oc1cccc([C@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC000038041087 174041384 /nfs/dbraw/zinc/04/13/84/174041384.db2.gz JOCJPADTTUDRBM-ZDUSSCGKSA-N 2 0 262.397 2.876 10 0 CFAERP C[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)C[NH+]1CCCCC1 ZINC000038041636 174043620 /nfs/dbraw/zinc/04/36/20/174043620.db2.gz BFBCSUXOOXAKGY-CQSZACIVSA-N 2 0 290.407 2.627 10 0 CFAERP C[C@@H]([NH3+])c1cc(F)ccc1OCC[NH+]1CCCCC1 ZINC000040240254 174212660 /nfs/dbraw/zinc/21/26/60/174212660.db2.gz CJUCKLYRZHMXDM-GFCCVEGCSA-N 2 0 266.360 2.710 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040622576 174355739 /nfs/dbraw/zinc/35/57/39/174355739.db2.gz ZILSVIPOLSUWPY-DLBZAZTESA-N 3 0 295.515 2.817 10 0 CFAERP CCC[C@@H]([NH3+])[C@H](CC)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693913 174377762 /nfs/dbraw/zinc/37/77/62/174377762.db2.gz XUZZWIKNCUHLTH-SJORKVTESA-N 2 0 281.488 2.843 10 0 CFAERP CCC[C@@H]([NH3+])[C@@H](CC)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693909 174377953 /nfs/dbraw/zinc/37/79/53/174377953.db2.gz XUZZWIKNCUHLTH-IAGOWNOFSA-N 2 0 281.488 2.843 10 0 CFAERP CCCCC[C@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693841 174378046 /nfs/dbraw/zinc/37/80/46/174378046.db2.gz QUIQUIDBKJHXMZ-QGZVFWFLSA-N 2 0 281.488 2.844 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCc2ccc(O)cc2)CC1 ZINC000040735935 174388943 /nfs/dbraw/zinc/38/89/43/174388943.db2.gz QNUGKYLAOYFKKV-CQSZACIVSA-N 2 0 276.424 2.645 10 0 CFAERP CCCN(C1CC[NH+](C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747621 174392510 /nfs/dbraw/zinc/39/25/10/174392510.db2.gz PNRDCTLELUBGLU-BYICEURKSA-N 2 0 293.499 2.854 10 0 CFAERP Cc1[nH]c2ccccc2c1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749434 174393763 /nfs/dbraw/zinc/39/37/63/174393763.db2.gz UKPNOTCSHYPBRS-AGUYFDCRSA-N 2 0 269.392 2.930 10 0 CFAERP COc1ccccc1C[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749445 174394064 /nfs/dbraw/zinc/39/40/64/174394064.db2.gz UHMTVZAMTPDOBS-OHRKKDJYSA-N 2 0 274.408 2.580 10 0 CFAERP C[C@@H](c1nc2ccccc2n1C)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749338 174394204 /nfs/dbraw/zinc/39/42/04/174394204.db2.gz LTWHOGSFXNHTCO-FUDCBSFHSA-N 2 0 284.407 2.588 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2n1 ZINC000040750364 174394941 /nfs/dbraw/zinc/39/49/41/174394941.db2.gz HLLSPGVTJHXWCL-VHRNVKJDSA-N 2 0 267.376 2.689 10 0 CFAERP CC(C)C[C@@H](C[NH+](C)C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000041733078 174620276 /nfs/dbraw/zinc/62/02/76/174620276.db2.gz ZHKBSCIBHMCGGD-ZFWWWQNUSA-N 2 0 263.429 2.973 10 0 CFAERP [NH3+]C[C@H](c1cccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000042277577 174673881 /nfs/dbraw/zinc/67/38/81/174673881.db2.gz MWQWTROCOKXHDF-OAHLLOKOSA-N 2 0 293.480 2.698 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000042615871 174828998 /nfs/dbraw/zinc/82/89/98/174828998.db2.gz DTNVIQVACLXBSJ-MRXNPFEDSA-N 2 0 295.858 2.756 10 0 CFAERP CC[NH+](CC)Cc1ccccc1N[C@H]1CCC[NH2+]C1 ZINC000043326656 175008298 /nfs/dbraw/zinc/00/82/98/175008298.db2.gz HMVARBCANMNNFM-HNNXBMFYSA-N 2 0 261.413 2.692 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N(CC[NH+](C)C)CC(C)C ZINC000043336303 175012304 /nfs/dbraw/zinc/01/23/04/175012304.db2.gz GHEHEEOLPFDNTI-HOCLYGCPSA-N 2 0 281.444 2.578 10 0 CFAERP C[C@H](C[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043534562 175063094 /nfs/dbraw/zinc/06/30/94/175063094.db2.gz RALPOHMFIZQUJD-CRAIPNDOSA-N 2 0 289.467 2.534 10 0 CFAERP CCCO[C@H]1CCC[N@H+](CCC[C@@H]2CCC[NH2+]C2)C1 ZINC000043592055 175074348 /nfs/dbraw/zinc/07/43/48/175074348.db2.gz LAQZJNHURXBEEV-HOTGVXAUSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CC[NH+](CCC)CC1 ZINC000043805545 175107591 /nfs/dbraw/zinc/10/75/91/175107591.db2.gz LVIZNGFVRLICTC-HZPDHXFCSA-N 2 0 269.477 2.571 10 0 CFAERP CC[NH+]1CCN([C@@H](C(C)C)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805805 175107739 /nfs/dbraw/zinc/10/77/39/175107739.db2.gz HBQGVXYGUAAFKR-MSOLQXFVSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805607 175107797 /nfs/dbraw/zinc/10/77/97/175107797.db2.gz KSRZSDYBCAFCET-IKGGRYGDSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccccc1C ZINC000043806229 175108115 /nfs/dbraw/zinc/10/81/15/175108115.db2.gz MJXVGJPPHIASTI-SFHVURJKSA-N 2 0 289.467 2.673 10 0 CFAERP CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](CC)CC1 ZINC000043806064 175108356 /nfs/dbraw/zinc/10/83/56/175108356.db2.gz XSMIRBXRPZZKEB-FUHWJXTLSA-N 2 0 289.467 2.672 10 0 CFAERP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[NH+]1CCCC1 ZINC000043807204 175108503 /nfs/dbraw/zinc/10/85/03/175108503.db2.gz UVVLPZFLJQSICG-CYBMUJFWSA-N 2 0 262.397 2.962 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000043806157 175108531 /nfs/dbraw/zinc/10/85/31/175108531.db2.gz GZRAVPDWALIHQX-GOSISDBHSA-N 2 0 289.467 2.673 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810985 175110288 /nfs/dbraw/zinc/11/02/88/175110288.db2.gz YIBAYRGRAQQFQK-BBWFWOEESA-N 2 0 295.515 2.817 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043810777 175110421 /nfs/dbraw/zinc/11/04/21/175110421.db2.gz MMJYEPYXQLSNID-QZTJIDSGSA-N 2 0 289.467 2.609 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OCC)c(C[NH+](C)C)c1 ZINC000043816155 175112458 /nfs/dbraw/zinc/11/24/58/175112458.db2.gz JXRKZCCFZPZTOQ-GFCCVEGCSA-N 2 0 250.386 2.817 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815333 175112471 /nfs/dbraw/zinc/11/24/71/175112471.db2.gz LPIXRZFDVABVIK-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N1CCC[N@H+](C)CC1 ZINC000043818138 175112775 /nfs/dbraw/zinc/11/27/75/175112775.db2.gz IUQCLWATYRSMIW-ZWKOTPCHSA-N 2 0 289.467 2.609 10 0 CFAERP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043896962 175119747 /nfs/dbraw/zinc/11/97/47/175119747.db2.gz FYHGPHMLAJVNJG-WMZOPIPTSA-N 2 0 289.467 2.670 10 0 CFAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccc(C)c(C)c1 ZINC000043897345 175119760 /nfs/dbraw/zinc/11/97/60/175119760.db2.gz YJORZCLZXCPMKP-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897321 175119929 /nfs/dbraw/zinc/11/99/29/175119929.db2.gz BSPHOQCBTMWZNB-YJBOKZPZSA-N 2 0 289.467 2.670 10 0 CFAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccc(C)cc1C ZINC000043897310 175119979 /nfs/dbraw/zinc/11/99/79/175119979.db2.gz DTLZLVJFCYSCKL-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP CCc1ccc([C@H](CN2CC[NH+](C(C)C)CC2)[NH2+]C)cc1 ZINC000043896990 175120118 /nfs/dbraw/zinc/12/01/18/175120118.db2.gz LLWSXOXFNLOSIS-SFHVURJKSA-N 2 0 289.467 2.536 10 0 CFAERP C[NH2+][C@H](CN1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000043907679 175123233 /nfs/dbraw/zinc/12/32/33/175123233.db2.gz DEQPVZCSOVDINA-MRXNPFEDSA-N 2 0 281.488 2.571 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970385 175130974 /nfs/dbraw/zinc/13/09/74/175130974.db2.gz XTJWGIHLKCTCJS-JKSUJKDBSA-N 2 0 270.461 2.902 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](CCOC)C2CC2)c1 ZINC000043969842 175131214 /nfs/dbraw/zinc/13/12/14/175131214.db2.gz MERAMWLFEAAATC-CYBMUJFWSA-N 2 0 292.423 2.586 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](CCOC)CC(C)C ZINC000043970297 175131313 /nfs/dbraw/zinc/13/13/13/175131313.db2.gz IYHFQMGJUNLXIC-CABCVRRESA-N 2 0 258.450 2.758 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978551 175133425 /nfs/dbraw/zinc/13/34/25/175133425.db2.gz JJBJTNDNFUCAJF-DLBZAZTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977480 175133477 /nfs/dbraw/zinc/13/34/77/175133477.db2.gz RUGBGVFORSTBTC-BPUTZDHNSA-N 2 0 270.461 2.900 10 0 CFAERP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977720 175133537 /nfs/dbraw/zinc/13/35/37/175133537.db2.gz OYNYBYIIZVYJJK-BPUTZDHNSA-N 2 0 268.445 2.654 10 0 CFAERP CC[NH2+][C@H]1CCC[C@H]1[N@H+](CCOC)C(CC)CC ZINC000043977108 175133576 /nfs/dbraw/zinc/13/35/76/175133576.db2.gz AQKCBRQFRMSFGI-LSDHHAIUSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+][C@H](C)[C@H](C)[N@H+](CCOC)C(CC)CC ZINC000043977308 175133704 /nfs/dbraw/zinc/13/37/04/175133704.db2.gz JKSFEXOPONDUED-KGLIPLIRSA-N 2 0 258.450 2.900 10 0 CFAERP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2Cl)CC1 ZINC000044518559 175191183 /nfs/dbraw/zinc/19/11/83/175191183.db2.gz DHSZDEQZABQOAG-MRXNPFEDSA-N 2 0 296.842 2.695 10 0 CFAERP [NH3+][C@H]1CCCc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000044732361 175240988 /nfs/dbraw/zinc/24/09/88/175240988.db2.gz QTVRDVJFBMIUPW-KRWDZBQOSA-N 2 0 274.408 2.887 10 0 CFAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000044806451 175256365 /nfs/dbraw/zinc/25/63/65/175256365.db2.gz WHOJWMKTVDLSGH-OAHLLOKOSA-N 2 0 299.503 2.624 10 0 CFAERP C[C@H](CN1Cc2ccccc2C1=[NH2+])[NH+]1CCCCC1 ZINC000044995266 175287338 /nfs/dbraw/zinc/28/73/38/175287338.db2.gz FHQYHJWGRVULLJ-CYBMUJFWSA-N 2 0 257.381 2.702 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCOCCC(C)C)CC1 ZINC000045094048 175306658 /nfs/dbraw/zinc/30/66/58/175306658.db2.gz JQPXHYFYGGIWME-OAHLLOKOSA-N 2 0 270.461 2.759 10 0 CFAERP CCn1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](CC)CC2)c1C ZINC000045172716 175321452 /nfs/dbraw/zinc/32/14/52/175321452.db2.gz IMBURZMSIYHQAO-ZDUSSCGKSA-N 2 0 292.471 2.902 10 0 CFAERP CCCC[N@H+](CC)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045370435 175364381 /nfs/dbraw/zinc/36/43/81/175364381.db2.gz DQDYCBLDWNYNLL-HNNXBMFYSA-N 2 0 272.433 2.559 10 0 CFAERP CCCCC[N@H+](C)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045387934 175374091 /nfs/dbraw/zinc/37/40/91/175374091.db2.gz WAMFVJXNEATHKO-HNNXBMFYSA-N 2 0 272.433 2.559 10 0 CFAERP C[NH2+]C[C@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000071148179 176044257 /nfs/dbraw/zinc/04/42/57/176044257.db2.gz WKWIDBBNZPRUMA-CYBMUJFWSA-N 2 0 255.365 2.589 10 0 CFAERP CC(C)[C@@H](C[NH+](C)C)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268922 176102818 /nfs/dbraw/zinc/10/28/18/176102818.db2.gz IPWYHDXSLKFIRW-CQSZACIVSA-N 2 0 263.360 2.553 10 0 CFAERP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(OC)cc2)C1 ZINC000076515305 177031092 /nfs/dbraw/zinc/03/10/92/177031092.db2.gz BYEDBVNPLNRCQB-KBPBESRZSA-N 2 0 262.397 2.688 10 0 CFAERP Cc1cccc2[nH]c(C3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)nc21 ZINC000077288160 177249189 /nfs/dbraw/zinc/24/91/89/177249189.db2.gz VCBGGZMCJNSKER-CQSZACIVSA-N 2 0 298.434 2.660 10 0 CFAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000226206391 270256250 /nfs/dbraw/zinc/25/62/50/270256250.db2.gz KPYZPAMZTWRZOS-HUUCEWRRSA-N 2 0 270.461 2.759 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000400353224 274516340 /nfs/dbraw/zinc/51/63/40/274516340.db2.gz NQOXMEKZOFADNF-JQWIXIFHSA-N 2 0 283.213 2.537 10 0 CFAERP [NH3+]CCCOC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000094073397 279627343 /nfs/dbraw/zinc/62/73/43/279627343.db2.gz HENGGDOFIBOYES-UHFFFAOYSA-N 2 0 285.391 2.569 10 0 CFAERP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000261825599 280570759 /nfs/dbraw/zinc/57/07/59/280570759.db2.gz UJCCHRKOVIRPDU-HIFRSBDPSA-N 2 0 267.376 2.731 10 0 CFAERP Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000227077164 280573238 /nfs/dbraw/zinc/57/32/38/280573238.db2.gz IFMZULRXTQFBBV-FZMZJTMJSA-N 2 0 255.365 2.717 10 0 CFAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000248175074 281018841 /nfs/dbraw/zinc/01/88/41/281018841.db2.gz VMBYSTKERCHKNX-BRWVUGGUSA-N 2 0 295.515 2.817 10 0 CFAERP Cc1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000248757994 281169781 /nfs/dbraw/zinc/16/97/81/281169781.db2.gz WSHUDNNVFCUREQ-AWEZNQCLSA-N 2 0 267.376 2.828 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000567375360 290459471 /nfs/dbraw/zinc/45/94/71/290459471.db2.gz XBTRKCAAHRWFOM-BYNSBNAKSA-N 2 0 268.445 2.558 10 0 CFAERP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1F ZINC000400354894 301787656 /nfs/dbraw/zinc/78/76/56/301787656.db2.gz LSMZSNPVIJQTRS-SCRDCRAPSA-N 2 0 250.361 2.783 10 0 CFAERP CC[C@@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192850532 324066310 /nfs/dbraw/zinc/06/63/10/324066310.db2.gz ADQLDKLIOMNEPR-GDBMZVCRSA-N 2 0 261.413 2.634 10 0 CFAERP Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000382471442 324429008 /nfs/dbraw/zinc/42/90/08/324429008.db2.gz PYUXOBWIDXLZPK-STQMWFEESA-N 2 0 255.365 2.504 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420857 519725788 /nfs/dbraw/zinc/72/57/88/519725788.db2.gz ZDQYRPWFABBDKE-QXSJWSMHSA-N 2 0 268.445 2.510 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382077 519746349 /nfs/dbraw/zinc/74/63/49/519746349.db2.gz JFVHKYSQEJOHMW-CVEARBPZSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000053011839 519922937 /nfs/dbraw/zinc/92/29/37/519922937.db2.gz VUBNPSMKBIPINX-HNNXBMFYSA-N 2 0 264.388 2.690 10 0 CFAERP CC[NH2+]Cc1cc(C[N@@H+]2CCCSCC2)oc1C ZINC000052371035 519987767 /nfs/dbraw/zinc/98/77/67/519987767.db2.gz UPJFNMDGTCEUQB-UHFFFAOYSA-N 2 0 268.426 2.636 10 0 CFAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000062740921 520306471 /nfs/dbraw/zinc/30/64/71/520306471.db2.gz UPFDHDQXDWKOOZ-HZPDHXFCSA-N 2 0 262.397 2.577 10 0 CFAERP CCCCOCC[N@H+](CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049264141 520760986 /nfs/dbraw/zinc/76/09/86/520760986.db2.gz LARCKMHURVBHDW-XYPWUTKMSA-N 2 0 268.445 2.798 10 0 CFAERP CCCN(CC[NH+](C)C)C[C@H]([NH3+])c1ccc(C)cc1C ZINC000045687780 521656846 /nfs/dbraw/zinc/65/68/46/521656846.db2.gz DTCJTYURVPRPRS-KRWDZBQOSA-N 2 0 277.456 2.577 10 0 CFAERP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414825289 534412332 /nfs/dbraw/zinc/41/23/32/534412332.db2.gz HAZASBWMNRCWRE-KZKMVBDOSA-N 2 0 276.346 2.980 10 0 CFAERP CC(C)[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1N ZINC000049333192 519642735 /nfs/dbraw/zinc/64/27/35/519642735.db2.gz ULIQOKJRQRLWOP-UHFFFAOYSA-N 2 0 275.440 2.965 10 0 CFAERP CC(C)[NH2+]C[C@@H](OCC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000052672815 519723270 /nfs/dbraw/zinc/72/32/70/519723270.db2.gz LPVWBHGSRYAFSY-LSDHHAIUSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456364 519723787 /nfs/dbraw/zinc/72/37/87/519723787.db2.gz QHCUJABKXFTQGB-UONOGXRCSA-N 2 0 282.453 2.726 10 0 CFAERP CC(C)[C@H](C[NH2+]C(C)(C)C)OCC[NH+]1CCCCC1 ZINC000052670635 519815831 /nfs/dbraw/zinc/81/58/31/519815831.db2.gz MVVJFRBJBRGGQX-HNNXBMFYSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000049150135 519847656 /nfs/dbraw/zinc/84/76/56/519847656.db2.gz CDZGWLUYLVZUST-JKSUJKDBSA-N 2 0 281.488 2.571 10 0 CFAERP CCC1CCC([N@H+](C)Cc2cc(C[NH3+])no2)CC1 ZINC000052345592 519853101 /nfs/dbraw/zinc/85/31/01/519853101.db2.gz GJRLLZPPWXZVRL-UHFFFAOYSA-N 2 0 251.374 2.534 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC)CC2CC2)CCOCC1 ZINC000069262679 519910083 /nfs/dbraw/zinc/91/00/83/519910083.db2.gz YJBZTAGPIVOOGR-UHFFFAOYSA-N 2 0 268.445 2.515 10 0 CFAERP CCC[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417333 519913460 /nfs/dbraw/zinc/91/34/60/519913460.db2.gz IQUKXRLHBPVORV-KRWDZBQOSA-N 2 0 289.467 2.977 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420855 519923912 /nfs/dbraw/zinc/92/39/12/519923912.db2.gz RHOLBUAXNHWQNS-FZKCQIBNSA-N 2 0 268.445 2.512 10 0 CFAERP CCC[NH2+]Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000052443266 519951004 /nfs/dbraw/zinc/95/10/04/519951004.db2.gz FDKUSMLKDFSTJU-UHFFFAOYSA-N 2 0 264.438 2.735 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCC(C)CC2)O1 ZINC000052345451 519954498 /nfs/dbraw/zinc/95/44/98/519954498.db2.gz FFTJRPYKSYDJON-SSHXOBKSSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+]Cc1ccccc1OCC[N@H+](C)C(C)C ZINC000052419587 519955824 /nfs/dbraw/zinc/95/58/24/519955824.db2.gz YBCSOZYUTZRQFM-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCC[NH2+]Cc1occc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453277 519973591 /nfs/dbraw/zinc/97/35/91/519973591.db2.gz LZEWIPSCFZXFFT-CYBMUJFWSA-N 2 0 268.426 2.717 10 0 CFAERP CCCCC[N@H+](CC1(C[NH2+]C)CCOCC1)C(C)C ZINC000052183277 520161347 /nfs/dbraw/zinc/16/13/47/520161347.db2.gz KERSMJZMYYHQAB-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP CC[N@H+](C)CCOc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052446122 520240434 /nfs/dbraw/zinc/24/04/34/520240434.db2.gz KISXHGXDBYMXGA-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCCC[NH+](CCCC)Cc1cc(C[NH2+]C)no1 ZINC000052443571 520496806 /nfs/dbraw/zinc/49/68/06/520496806.db2.gz NJUQMYFWJBMZOP-UHFFFAOYSA-N 2 0 253.390 2.796 10 0 CFAERP CC[NH+](CC)CCOc1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000051549197 520695482 /nfs/dbraw/zinc/69/54/82/520695482.db2.gz IGHHNUBAIPFWOH-UHFFFAOYSA-N 2 0 279.428 2.690 10 0 CFAERP CC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CCCC1 ZINC000052181634 520938026 /nfs/dbraw/zinc/93/80/26/520938026.db2.gz FFEUXFNFQURPGQ-UHFFFAOYSA-N 2 0 280.456 2.800 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N1CC[C@H]([NH+](CC)CC)C1 ZINC000069381073 521255488 /nfs/dbraw/zinc/25/54/88/521255488.db2.gz HPRAAWLQSWKPQS-JKSUJKDBSA-N 2 0 269.477 2.700 10 0 CFAERP CCC(CC)(C[NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000051210731 521425770 /nfs/dbraw/zinc/42/57/70/521425770.db2.gz SCFVPAYHFIXRFB-UHFFFAOYSA-N 2 0 252.427 2.871 10 0 CFAERP CCN1CCC([N@H+](C)[C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052544037 521566900 /nfs/dbraw/zinc/56/69/00/521566900.db2.gz WODFQLHBCNDGDZ-OAHLLOKOSA-N 2 0 269.477 2.569 10 0 CFAERP CCN1CCC([N@H+](C)[C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052544036 521567119 /nfs/dbraw/zinc/56/71/19/521567119.db2.gz WODFQLHBCNDGDZ-HNNXBMFYSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH+]1CCC(N(C)c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052857539 521567235 /nfs/dbraw/zinc/56/72/35/521567235.db2.gz HGYKWIUISPHBNU-UHFFFAOYSA-N 2 0 281.831 2.719 10 0 CFAERP CCC[N@H+](CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052181424 521618425 /nfs/dbraw/zinc/61/84/25/521618425.db2.gz GMNZADPFWGVGJD-UHFFFAOYSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[N@H+](CC1CC1)CC1(C[NH2+]CC)CCOCC1 ZINC000052182655 521624290 /nfs/dbraw/zinc/62/42/90/521624290.db2.gz NFHSCZYHHVGEEV-UHFFFAOYSA-N 2 0 268.445 2.515 10 0 CFAERP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(C)c2Cl)C1 ZINC000310356454 521626168 /nfs/dbraw/zinc/62/61/68/521626168.db2.gz IJGWQAPWYGYQEE-LLVKDONJSA-N 2 0 253.777 2.940 10 0 CFAERP CCS[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000233840678 521726494 /nfs/dbraw/zinc/72/64/94/521726494.db2.gz YSHOAHUACUNIFG-ZIAGYGMSSA-N 2 0 256.459 2.736 10 0 CFAERP CCc1ccccc1[C@@H](C[NH3+])N(C)C1CC[NH+](CC)CC1 ZINC000052203843 521929067 /nfs/dbraw/zinc/92/90/67/521929067.db2.gz KPHCFLWYSULSMY-GOSISDBHSA-N 2 0 289.467 2.665 10 0 CFAERP C[NH2+]CC[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443898 522016548 /nfs/dbraw/zinc/01/65/48/522016548.db2.gz MQPWORFZJYTTIO-OAHLLOKOSA-N 2 0 260.425 2.939 10 0 CFAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](Cc2ccccc2)C(C)C)O1 ZINC000052417209 522093735 /nfs/dbraw/zinc/09/37/35/522093735.db2.gz FEGWTICMUPQSNF-SJORKVTESA-N 2 0 276.424 2.664 10 0 CFAERP C[NH2+]Cc1cccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000052420697 522133240 /nfs/dbraw/zinc/13/32/40/522133240.db2.gz QKKLWUHSLFGXBJ-GASCZTMLSA-N 2 0 276.424 2.763 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000052378789 522139802 /nfs/dbraw/zinc/13/98/02/522139802.db2.gz UPLBFDFQTHHQAW-CQSZACIVSA-N 2 0 262.397 2.659 10 0 CFAERP C[NH2+]Cc1nc(C[N@H+](C)[C@H]2CCCC[C@H]2C)cs1 ZINC000052546475 522151303 /nfs/dbraw/zinc/15/13/03/522151303.db2.gz AJWYWNFHXNWSLE-YPMHNXCESA-N 2 0 267.442 2.873 10 0 CFAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000234750461 522288703 /nfs/dbraw/zinc/28/87/03/522288703.db2.gz OKIDDVAZIPMYDC-NXEZZACHSA-N 2 0 276.833 2.806 10 0 CFAERP C[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CCCCC1 ZINC000052181027 522591395 /nfs/dbraw/zinc/59/13/95/522591395.db2.gz GDNGVCGURULBRD-UHFFFAOYSA-N 2 0 280.456 2.800 10 0 CFAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000234801934 522668423 /nfs/dbraw/zinc/66/84/23/522668423.db2.gz XSWJPHBFWQUQKP-JSGCOSHPSA-N 2 0 268.376 2.539 10 0 CFAERP C[N@H+](CCCC[NH2+]C(C)(C)C)CCc1ccncc1 ZINC000052483024 522735082 /nfs/dbraw/zinc/73/50/82/522735082.db2.gz UOBGBBWTCUMBPY-UHFFFAOYSA-N 2 0 263.429 2.724 10 0 CFAERP C[N@H+](Cc1c(C[NH3+])oc2ccccc21)[C@H]1CCSC1 ZINC000052453254 523150749 /nfs/dbraw/zinc/15/07/49/523150749.db2.gz SHCHNBXFQOBHFH-NSHDSACASA-N 2 0 276.405 2.829 10 0 CFAERP C[N@H+](Cc1ccccc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180954 523342581 /nfs/dbraw/zinc/34/25/81/523342581.db2.gz OIHLUCQTHHBUQP-UHFFFAOYSA-N 2 0 288.435 2.667 10 0 CFAERP CC[C@](C)(C[NH2+]C(C)C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000051252202 523463178 /nfs/dbraw/zinc/46/31/78/523463178.db2.gz XIVNMEDWORSULC-QGZVFWFLSA-N 3 0 283.504 2.674 10 0 CFAERP COCC[N@H+](C[C@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545315 523732990 /nfs/dbraw/zinc/73/29/90/523732990.db2.gz SMKQNHPLCYPHKI-CABCVRRESA-N 2 0 270.461 2.615 10 0 CFAERP CC[C@H](C)C[N@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052454129 523867268 /nfs/dbraw/zinc/86/72/68/523867268.db2.gz HZFOQQOWXMIXFL-AWEZNQCLSA-N 2 0 264.413 2.763 10 0 CFAERP COCC[NH2+]CCCC[NH+]1CCC2(CCCC2)CC1 ZINC000062958942 523935682 /nfs/dbraw/zinc/93/56/82/523935682.db2.gz QQJSKHWOYINAQX-UHFFFAOYSA-N 2 0 268.445 2.659 10 0 CFAERP C[C@H]1CCC[N@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000052381348 524091958 /nfs/dbraw/zinc/09/19/58/524091958.db2.gz QPDQUSBMFYQNMA-LBPRGKRZSA-N 2 0 265.401 2.795 10 0 CFAERP Cc1cccc(N2CC[NH+](CCC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000052764234 524555514 /nfs/dbraw/zinc/55/55/14/524555514.db2.gz JIFXWIGTNMGTIY-KRWDZBQOSA-N 2 0 287.451 2.649 10 0 CFAERP C[C@@H](C[NH+]1CCCCC1)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049502324 524609464 /nfs/dbraw/zinc/60/94/64/524609464.db2.gz GYVKMVXMSPYBQX-NSHDSACASA-N 2 0 276.359 2.805 10 0 CFAERP C[C@@H]([N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1)C(C)(C)C ZINC000052182310 524981461 /nfs/dbraw/zinc/98/14/61/524981461.db2.gz WKFURBIMMDSIMK-CQSZACIVSA-N 2 0 282.472 2.902 10 0 CFAERP C[C@@H]([NH3+])c1c(F)cccc1N1CC[NH+](C2CCCC2)CC1 ZINC000052062126 525023691 /nfs/dbraw/zinc/02/36/91/525023691.db2.gz HZUPWEHXZLZVMH-CYBMUJFWSA-N 2 0 291.414 2.910 10 0 CFAERP Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c2ccccc2[nH+]1 ZINC000216179479 525099205 /nfs/dbraw/zinc/09/92/05/525099205.db2.gz IVNRXCJFBPVMKH-STQMWFEESA-N 2 0 255.365 2.717 10 0 CFAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cn1 ZINC000335023242 525398079 /nfs/dbraw/zinc/39/80/79/525398079.db2.gz PZHBIIMRTXQUPB-OIKLOGQESA-N 2 0 298.228 2.765 10 0 CFAERP c1cc(C[NH2+]C2CC2)cc(OCCC[NH+]2CCCC2)c1 ZINC000049331853 526426118 /nfs/dbraw/zinc/42/61/18/526426118.db2.gz SRKYAUQUKMYLGF-UHFFFAOYSA-N 2 0 274.408 2.803 10 0 CFAERP [NH3+]CCC[N@H+](C1CCOCC1)C1CCCCCC1 ZINC000069289727 527178163 /nfs/dbraw/zinc/17/81/63/527178163.db2.gz VRYBVHUIPPWYMK-UHFFFAOYSA-N 2 0 254.418 2.539 10 0 CFAERP NNc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052718561 527273690 /nfs/dbraw/zinc/27/36/90/527273690.db2.gz GBNRKLQHHALGOH-KGLIPLIRSA-N 2 0 260.385 2.522 10 0 CFAERP NNc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052718565 527274068 /nfs/dbraw/zinc/27/40/68/527274068.db2.gz GBNRKLQHHALGOH-KBPBESRZSA-N 2 0 260.385 2.522 10 0 CFAERP CC[NH+]1CCC2(CC1)[NH2+]C1(CCCCC1)CCO2 ZINC000757144702 617810597 /nfs/dbraw/zinc/81/05/97/617810597.db2.gz HBPQUIDTCSDYMZ-UHFFFAOYSA-N 2 0 252.402 2.511 10 0 CFAERP C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261998009 619361936 /nfs/dbraw/zinc/36/19/36/619361936.db2.gz TTYWOMHDXAOVJY-PBHICJAKSA-N 2 0 276.399 2.789 10 0 CFAERP Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000228164215 623133087 /nfs/dbraw/zinc/13/30/87/623133087.db2.gz OIVZADUVSWJLAU-STQMWFEESA-N 2 0 255.365 2.717 10 0 CFAERP C[N@H+](Cc1cncc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000231465379 623348935 /nfs/dbraw/zinc/34/89/35/623348935.db2.gz PIJNAUSZDCRDSA-MRXNPFEDSA-N 2 0 269.392 2.809 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cc(F)ccc1F ZINC000089148268 650828355 /nfs/dbraw/zinc/82/83/55/650828355.db2.gz FELINMMEVDMZOR-RBZYPMLTSA-N 2 0 254.324 2.743 10 0 CFAERP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC000082729005 178246021 /nfs/dbraw/zinc/24/60/21/178246021.db2.gz ZARRIMINPMVMKJ-IAGOWNOFSA-N 2 0 258.409 2.877 10 0 CFAERP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038877502 346339622 /nfs/dbraw/zinc/33/96/22/346339622.db2.gz KAXQIIGCHQPXCF-ZWKOTPCHSA-N 2 0 266.388 2.861 10 0 CFAERP [NH3+]C[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000150029169 347954397 /nfs/dbraw/zinc/95/43/97/347954397.db2.gz ZGHAWIXJFKZUPF-GOSISDBHSA-N 2 0 266.388 2.789 10 0 CFAERP COc1ccc(C[NH+](C)C)cc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086817802 179346075 /nfs/dbraw/zinc/34/60/75/179346075.db2.gz SSQOIHSVMALZMJ-OAHLLOKOSA-N 2 0 291.439 2.653 10 0 CFAERP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818708 179346526 /nfs/dbraw/zinc/34/65/26/179346526.db2.gz IEFIPSHAECDESE-RDJZCZTQSA-N 2 0 260.425 3.000 10 0 CFAERP CC[N@@H+]1CCC[C@H](NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000086836915 179351232 /nfs/dbraw/zinc/35/12/32/179351232.db2.gz QBWPZBSLHZUUIB-IRXDYDNUSA-N 2 0 281.488 2.571 10 0 CFAERP CCN(Cc1ccccc1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846666 179355316 /nfs/dbraw/zinc/35/53/16/179355316.db2.gz FKCVISWPMUSBRU-GOSISDBHSA-N 2 0 289.467 2.712 10 0 CFAERP CCC[N@@H+]1CCC[C@@](CC(=O)OCC)([NH+](CC)CC)CC1 ZINC000086868550 179360855 /nfs/dbraw/zinc/36/08/55/179360855.db2.gz WQAUMWYZYIXJLE-QGZVFWFLSA-N 2 0 298.471 2.916 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([NH+]2CCc3c(N)cccc3C2)CC1 ZINC000086850814 179358280 /nfs/dbraw/zinc/35/82/80/179358280.db2.gz RNWLKJLASMBBBR-INIZCTEOSA-N 2 0 287.451 2.891 10 0 CFAERP C[NH2+]CCC1CC[NH+]([C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086851244 179359128 /nfs/dbraw/zinc/35/91/28/179359128.db2.gz SZAAVRWXZYWDJD-KRWDZBQOSA-N 3 0 281.488 2.571 10 0 CFAERP CN(CC[NH+](C)C)c1ccccc1C[NH2+]C(C)(C)C ZINC000104202089 185929089 /nfs/dbraw/zinc/92/90/89/185929089.db2.gz RYJHJKJYLZEWQD-UHFFFAOYSA-N 2 0 263.429 2.573 10 0 CFAERP C[C@@](C[NH3+])(CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000584636004 348698330 /nfs/dbraw/zinc/69/83/30/348698330.db2.gz KLQIXTRCUFYOIA-IBGZPJMESA-N 2 0 298.430 2.779 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@@H]1Nc1cccc(C[NH+]2CCCC2)c1 ZINC000089148721 179724908 /nfs/dbraw/zinc/72/49/08/179724908.db2.gz NGZSPEDSEURBCL-RDJZCZTQSA-N 2 0 273.424 2.822 10 0 CFAERP Cc1cc[nH+]c(NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000630572276 355114463 /nfs/dbraw/zinc/11/44/63/355114463.db2.gz QNWFSJAZSSWWFX-HNNXBMFYSA-N 2 0 255.365 2.762 10 0 CFAERP C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631842349 355603918 /nfs/dbraw/zinc/60/39/18/355603918.db2.gz ZCCNNTRUXVKFJE-GUYCJALGSA-N 2 0 254.377 2.866 10 0 CFAERP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000151964739 540401569 /nfs/dbraw/zinc/40/15/69/540401569.db2.gz UPHKCONDABZNKD-CQSZACIVSA-N 2 0 289.354 2.695 10 0 CFAERP c1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252440950 540428154 /nfs/dbraw/zinc/42/81/54/540428154.db2.gz KAOAJAUUFWBVCU-ZDUSSCGKSA-N 2 0 253.349 2.519 10 0 CFAERP O[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044855 189234162 /nfs/dbraw/zinc/23/41/62/189234162.db2.gz XOHCTJDVRJYQHX-MSOLQXFVSA-N 2 0 288.435 2.574 10 0 CFAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390914354 540985691 /nfs/dbraw/zinc/98/56/91/540985691.db2.gz SDOBNXXDEYJYOG-RYUDHWBXSA-N 2 0 260.372 2.790 10 0 CFAERP [NH3+]CCCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000049580678 373312329 /nfs/dbraw/zinc/31/23/29/373312329.db2.gz KTHVLLDHNWSYBB-UHFFFAOYSA-N 2 0 281.831 2.591 10 0 CFAERP OC[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000067967921 374017271 /nfs/dbraw/zinc/01/72/71/374017271.db2.gz QPUNWWYJIBILEL-QGZVFWFLSA-N 2 0 288.435 2.622 10 0 CFAERP CC1CCC(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000089576358 374924601 /nfs/dbraw/zinc/92/46/01/374924601.db2.gz VGKOJESADWIYNR-YMAMQOFZSA-N 2 0 250.430 2.887 10 0 CFAERP CC(C)[NH2+][C@@H](CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095088339 375409720 /nfs/dbraw/zinc/40/97/20/375409720.db2.gz VUNPAHLTIXBIGB-MSOLQXFVSA-N 2 0 290.451 2.648 10 0 CFAERP c1cc(N2CCCCC2)ncc1N[C@@H]1CCC[NH2+]CC1 ZINC000133655863 377947755 /nfs/dbraw/zinc/94/77/55/377947755.db2.gz UTDIIMFRNUKMEP-CQSZACIVSA-N 2 0 274.412 2.626 10 0 CFAERP C[C@@H]([NH2+]CCCCOCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400459225 380861681 /nfs/dbraw/zinc/86/16/81/380861681.db2.gz RAAZMYAPHVELTJ-WBVHZDCISA-N 2 0 276.424 2.571 10 0 CFAERP C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CC[NH2+]C1 ZINC000400444239 380861692 /nfs/dbraw/zinc/86/16/92/380861692.db2.gz PDNAZYMOIMZOBL-DMOGRIERSA-N 2 0 264.335 2.695 10 0 CFAERP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+](C)C)C3)c2c1 ZINC000185626008 381687994 /nfs/dbraw/zinc/68/79/94/381687994.db2.gz ZHAAHCQESWBBID-ZDUSSCGKSA-N 2 0 255.365 2.684 10 0 CFAERP CC[N@H+](CCO)CCNc1ccnc2ccc(Cl)cc21 ZINC000302213467 382213935 /nfs/dbraw/zinc/21/39/35/382213935.db2.gz FRODXAHTNPZFHW-UHFFFAOYSA-N 2 0 293.798 2.614 10 0 CFAERP C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12CC[NH2+]C[C@H]2C ZINC000306159938 382454084 /nfs/dbraw/zinc/45/40/84/382454084.db2.gz SAXVOWYQSQSZGA-BFYDXBDKSA-N 2 0 258.409 2.897 10 0 CFAERP Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000382471435 382530730 /nfs/dbraw/zinc/53/07/30/382530730.db2.gz PYUXOBWIDXLZPK-CHWSQXEVSA-N 2 0 255.365 2.504 10 0 CFAERP CCC[NH2+][C@@](C)(CO)CCCC[N@H+](CC)CCC ZINC000085239848 184608555 /nfs/dbraw/zinc/60/85/55/184608555.db2.gz IBQFBMLYUFQEQC-OAHLLOKOSA-N 2 0 258.450 2.639 10 0 CFAERP COc1ccc(Br)c([C@H]([NH3+])CCCC[NH3+])c1 ZINC000575439468 382771415 /nfs/dbraw/zinc/77/14/15/382771415.db2.gz MZSBTSXHIJYVLH-GFCCVEGCSA-N 2 0 287.201 2.587 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(Br)c1F ZINC000575439509 382771489 /nfs/dbraw/zinc/77/14/89/382771489.db2.gz CDGQQJQLAQKBLU-JTQLQIEISA-N 2 0 275.165 2.717 10 0 CFAERP COc1ccc(Br)cc1[C@H]([NH3+])CCCC[NH3+] ZINC000575440293 382771741 /nfs/dbraw/zinc/77/17/41/382771741.db2.gz ZVSZCIGBUHZLRH-LLVKDONJSA-N 2 0 287.201 2.587 10 0 CFAERP Cc1ccc(F)c(CN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231454670 382864732 /nfs/dbraw/zinc/86/47/32/382864732.db2.gz SINGGHCMDVCZIZ-AWEZNQCLSA-N 2 0 250.361 2.708 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@H]12 ZINC000261698511 383545347 /nfs/dbraw/zinc/54/53/47/383545347.db2.gz NXNDCWJPJZLIFQ-HZUKXOBISA-N 2 0 285.366 2.543 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000261736866 383549842 /nfs/dbraw/zinc/54/98/42/383549842.db2.gz LRNYVLXFLNVAFC-FPMFFAJLSA-N 2 0 284.325 2.875 10 0 CFAERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261556985 383511156 /nfs/dbraw/zinc/51/11/56/383511156.db2.gz CLCAIFJXJGVFHW-GUTXKFCHSA-N 2 0 264.800 2.818 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]12 ZINC000261573522 383515990 /nfs/dbraw/zinc/51/59/90/383515990.db2.gz ASRAULRCPRCDBD-IXDOHACOSA-N 2 0 256.393 2.733 10 0 CFAERP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261579409 383518970 /nfs/dbraw/zinc/51/89/70/383518970.db2.gz DUPUPBJMRPMZRX-USXIJHARSA-N 2 0 258.409 2.781 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]12 ZINC000261587135 383520365 /nfs/dbraw/zinc/52/03/65/383520365.db2.gz JGQBVUVZNKZMQW-NWANDNLSSA-N 2 0 256.349 2.602 10 0 CFAERP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000261612406 383528039 /nfs/dbraw/zinc/52/80/39/383528039.db2.gz SPNHRUBWWPWLQC-UAGQMJEPSA-N 2 0 258.409 2.781 10 0 CFAERP COC[C@]1(CNc2cc(C)[nH+]c3ccccc23)CCC[NH2+]1 ZINC000261690865 383543150 /nfs/dbraw/zinc/54/31/50/383543150.db2.gz NJQPAVSUFXLIAI-QGZVFWFLSA-N 2 0 285.391 2.724 10 0 CFAERP Cc1cccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262038268 383598279 /nfs/dbraw/zinc/59/82/79/383598279.db2.gz XYUKRGVUQBYGQQ-RDJZCZTQSA-N 2 0 258.409 2.784 10 0 CFAERP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261780840 383559735 /nfs/dbraw/zinc/55/97/35/383559735.db2.gz PLGKNVGOAVMOOB-BHYGNILZSA-N 2 0 274.408 2.643 10 0 CFAERP C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000643454435 384635040 /nfs/dbraw/zinc/63/50/40/384635040.db2.gz RMSGXNGKHOJTBW-ZIAGYGMSSA-N 2 0 271.408 2.688 10 0 CFAERP Cc1nccc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000271841912 385394358 /nfs/dbraw/zinc/39/43/58/385394358.db2.gz QKWQEKWUHOKZRG-ZDUSSCGKSA-N 2 0 270.380 2.717 10 0 CFAERP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000038041008 393537498 /nfs/dbraw/zinc/53/74/98/393537498.db2.gz MQEOTPIVQCPDFU-OAHLLOKOSA-N 2 0 250.361 2.864 10 0 CFAERP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000045171437 393570190 /nfs/dbraw/zinc/57/01/90/393570190.db2.gz IBMUHBJZCRLPCM-IUODEOHRSA-N 2 0 290.455 2.655 10 0 CFAERP C[C@H]1C[C@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092389156 135076415 /nfs/dbraw/zinc/07/64/15/135076415.db2.gz LXHMTHILHCHNRH-SWLSCSKDSA-N 2 0 293.842 2.590 10 0 CFAERP c1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc[nH+]1 ZINC000648070357 395496814 /nfs/dbraw/zinc/49/68/14/395496814.db2.gz UTGOMXKTZJFUAZ-XOKHGSTOSA-N 2 0 271.408 2.829 10 0 CFAERP C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037220938 543027876 /nfs/dbraw/zinc/02/78/76/543027876.db2.gz HYNUQTQSUJIMRY-QAPCUYQASA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH+](CCC)[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022152600 171359719 /nfs/dbraw/zinc/35/97/19/171359719.db2.gz HQTRGGBBZJHKBS-CYBMUJFWSA-N 2 0 277.412 2.594 10 0 CFAERP CCC[NH+](CCC)CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022156512 171362926 /nfs/dbraw/zinc/36/29/26/171362926.db2.gz TWXHYKBQFWECHH-UHFFFAOYSA-N 2 0 277.412 2.596 10 0 CFAERP Cc1ccc(C[N@@H+](C)[C@H]2CCCCC[C@@H]2C[NH3+])o1 ZINC000035699119 172366818 /nfs/dbraw/zinc/36/68/18/172366818.db2.gz DTNZYGZWXXJESD-HIFRSBDPSA-N 2 0 250.386 2.927 10 0 CFAERP C[N@H+](Cc1cccs1)Cc1cccc(C(N)=[NH2+])c1 ZINC000035717612 172371359 /nfs/dbraw/zinc/37/13/59/172371359.db2.gz AJYLEXAUGFJYPD-UHFFFAOYSA-N 2 0 259.378 2.664 10 0 CFAERP CC[C@H](C)C[N@H+](C)CCOc1ccc(C[NH3+])cc1 ZINC000037172385 173005511 /nfs/dbraw/zinc/00/55/11/173005511.db2.gz AGFZFKKUZGKOJZ-ZDUSSCGKSA-N 2 0 250.386 2.502 10 0 CFAERP C[C@H]([NH2+]C1CCC(C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000665283756 414252890 /nfs/dbraw/zinc/25/28/90/414252890.db2.gz ULLSLJBBLPAXJI-IYOFFGIQSA-N 2 0 250.430 2.933 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000038041948 174044614 /nfs/dbraw/zinc/04/46/14/174044614.db2.gz VKDDPOWCNVWUGR-IAGOWNOFSA-N 3 0 295.515 2.818 10 0 CFAERP C[C@@H]([NH3+])c1ccc(OCC[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC000040240631 174213342 /nfs/dbraw/zinc/21/33/42/174213342.db2.gz SALGTTZNSQFCRT-YPMHNXCESA-N 2 0 266.360 2.709 10 0 CFAERP CCCCOCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000040506734 174302427 /nfs/dbraw/zinc/30/24/27/174302427.db2.gz XFHFYTIWQRAUKB-HZPDHXFCSA-N 2 0 270.461 2.903 10 0 CFAERP [NH3+]C[C@H]1CCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693653 174377531 /nfs/dbraw/zinc/37/75/31/174377531.db2.gz URIYLZHXMIWLOY-SJLPKXTDSA-N 2 0 293.499 2.844 10 0 CFAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040693867 174378011 /nfs/dbraw/zinc/37/80/11/174378011.db2.gz OYULGHLCDZFJKF-AEFFLSMTSA-N 2 0 293.499 2.844 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2o1 ZINC000040749215 174393915 /nfs/dbraw/zinc/39/39/15/174393915.db2.gz ATYUOGXHKGQOTQ-AGUYFDCRSA-N 2 0 256.349 2.887 10 0 CFAERP CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749453 174394384 /nfs/dbraw/zinc/39/43/84/174394384.db2.gz SOUPIEJRTUBGND-MQVJKMGUSA-N 2 0 274.408 2.928 10 0 CFAERP Cc1ccc([C@@H]([NH3+])CN2CCC(C[NH+](C)C)CC2)cc1C ZINC000042392884 174707666 /nfs/dbraw/zinc/70/76/66/174707666.db2.gz WREAAIBAAVTNNY-SFHVURJKSA-N 2 0 289.467 2.577 10 0 CFAERP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247301751 287295173 /nfs/dbraw/zinc/29/51/73/287295173.db2.gz ZSFKEYNLUUPEAY-VQHPVUNQSA-N 2 0 282.472 2.638 10 0 CFAERP CC[NH+]1CCC(N(C)c2ccccc2[C@H](C)[NH2+]C)CC1 ZINC000042680170 174834237 /nfs/dbraw/zinc/83/42/37/174834237.db2.gz OCBDIMJXOGJKOK-AWEZNQCLSA-N 2 0 275.440 2.888 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](c2ccccc2C)[C@@H](C)[NH3+])CC1 ZINC000043037456 174952037 /nfs/dbraw/zinc/95/20/37/174952037.db2.gz YALWLUHRGNOLAR-QAPCUYQASA-N 2 0 289.467 2.799 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N(C)C1CC[NH+](C)CC1 ZINC000043115565 174975306 /nfs/dbraw/zinc/97/53/06/174975306.db2.gz GGXZMAVBCMUGJI-GJZGRUSLSA-N 2 0 281.469 2.553 10 0 CFAERP Cc1cccc([C@H](CN)[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000043314985 175004692 /nfs/dbraw/zinc/00/46/92/175004692.db2.gz LVHJBMIOVXXSKJ-SFHVURJKSA-N 2 0 289.467 2.577 10 0 CFAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043394509 175035066 /nfs/dbraw/zinc/03/50/66/175035066.db2.gz GCMRDZSUBVIAGW-SFHVURJKSA-N 2 0 289.467 2.719 10 0 CFAERP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000043559860 175065859 /nfs/dbraw/zinc/06/58/59/175065859.db2.gz GBPPJJXEELRSJO-MJBXVCDLSA-N 2 0 289.423 2.606 10 0 CFAERP CCOC(=O)C[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000043618119 175080503 /nfs/dbraw/zinc/08/05/03/175080503.db2.gz GAEOQAKCTHLZKL-CQSZACIVSA-N 2 0 284.444 2.572 10 0 CFAERP CCC[NH+]1CCN([C@H](CC)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805396 175107442 /nfs/dbraw/zinc/10/74/42/175107442.db2.gz LGNXVLOQEKBUNP-QZTJIDSGSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH+]1CCN([C@@H](C(C)C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805809 175107563 /nfs/dbraw/zinc/10/75/63/175107563.db2.gz HBQGVXYGUAAFKR-ROUUACIJSA-N 2 0 289.467 2.609 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccc(C)c(C)c1 ZINC000043806090 175108321 /nfs/dbraw/zinc/10/83/21/175108321.db2.gz XLPKAPIHFSIPBP-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806202 175108689 /nfs/dbraw/zinc/10/86/89/175108689.db2.gz LWHGGVYNUVMHOP-BBWFWOEESA-N 2 0 281.488 2.571 10 0 CFAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000043809137 175109862 /nfs/dbraw/zinc/10/98/62/175109862.db2.gz YHPFUHVXJUCMHD-LBPRGKRZSA-N 2 0 250.386 2.817 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043810778 175110540 /nfs/dbraw/zinc/11/05/40/175110540.db2.gz MMJYEPYXQLSNID-ROUUACIJSA-N 2 0 289.467 2.609 10 0 CFAERP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000043815254 175111646 /nfs/dbraw/zinc/11/16/46/175111646.db2.gz PNORISTVBCPOKO-ZWKOTPCHSA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000043815223 175111934 /nfs/dbraw/zinc/11/19/34/175111934.db2.gz WLDZMDGVPUKRHZ-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815451 175112529 /nfs/dbraw/zinc/11/25/29/175112529.db2.gz BHGFCVARJCNXIW-IAGOWNOFSA-N 2 0 283.504 2.959 10 0 CFAERP CC[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1C ZINC000043815356 175112616 /nfs/dbraw/zinc/11/26/16/175112616.db2.gz ZBBDMWDERPLWHL-GOSISDBHSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OCC)c(C[NH+](C)C)c1 ZINC000043816154 175112630 /nfs/dbraw/zinc/11/26/30/175112630.db2.gz JXRKZCCFZPZTOQ-LBPRGKRZSA-N 2 0 250.386 2.817 10 0 CFAERP CCC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818514 175112923 /nfs/dbraw/zinc/11/29/23/175112923.db2.gz DXIQPJLKPXEMRN-WMZOPIPTSA-N 2 0 289.467 2.753 10 0 CFAERP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@H+](C)CC ZINC000043820223 175113976 /nfs/dbraw/zinc/11/39/76/175113976.db2.gz FAYATGTYWCLTEX-GFCCVEGCSA-N 2 0 250.386 2.817 10 0 CFAERP CCC[NH2+][C@H]1CCCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818543 175113997 /nfs/dbraw/zinc/11/39/97/175113997.db2.gz WEGZFIPYUREHOL-IRXDYDNUSA-N 2 0 281.488 2.715 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)C2CC2)c1 ZINC000043823431 175114775 /nfs/dbraw/zinc/11/47/75/175114775.db2.gz AWJNRLQXPOWEOM-GFCCVEGCSA-N 2 0 262.397 2.960 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CCC)C(C)C)OCCO2 ZINC000043885286 175116943 /nfs/dbraw/zinc/11/69/43/175116943.db2.gz OMOLUNNVKUHNRP-HZPDHXFCSA-N 2 0 298.471 2.771 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)CC(C)C)OCCO2 ZINC000043888380 175117672 /nfs/dbraw/zinc/11/76/72/175117672.db2.gz CLOHWVKSNVUOJZ-HZPDHXFCSA-N 2 0 298.471 2.628 10 0 CFAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907938 175123413 /nfs/dbraw/zinc/12/34/13/175123413.db2.gz VSHOAJVPGWGXSQ-JKSUJKDBSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965700 175127018 /nfs/dbraw/zinc/12/70/18/175127018.db2.gz FBIBQPDUXPYLAB-GJZGRUSLSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967800 175128868 /nfs/dbraw/zinc/12/88/68/175128868.db2.gz DNEGPZJZSNXPAW-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970584 175131800 /nfs/dbraw/zinc/13/18/00/175131800.db2.gz UGZVAQOPDJEDCA-IRXDYDNUSA-N 2 0 281.488 2.571 10 0 CFAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970552 175132056 /nfs/dbraw/zinc/13/20/56/175132056.db2.gz SWDMNEYMYVSKLW-CRAIPNDOSA-N 2 0 289.467 2.609 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970687 175132089 /nfs/dbraw/zinc/13/20/89/175132089.db2.gz BUICHAXRRIEMBM-IAGOWNOFSA-N 2 0 281.488 2.571 10 0 CFAERP C[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)c1ccccc1C ZINC000043970618 175132152 /nfs/dbraw/zinc/13/21/52/175132152.db2.gz BISDVWKBBMQAFC-SFHVURJKSA-N 2 0 289.467 2.529 10 0 CFAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978227 175133308 /nfs/dbraw/zinc/13/33/08/175133308.db2.gz ZIDGVGWGKZZEKM-PVAVHDDUSA-N 2 0 281.488 2.569 10 0 CFAERP C[NH2+][C@H](CN(CC[NH+](C)C)CC(C)C)c1ccccc1C ZINC000043982070 175133892 /nfs/dbraw/zinc/13/38/92/175133892.db2.gz PVSKFPFXDDJJBX-GOSISDBHSA-N 2 0 291.483 2.775 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000044418478 175173136 /nfs/dbraw/zinc/17/31/36/175173136.db2.gz WMMYTLQYSYTBRC-CZUORRHYSA-N 2 0 295.858 2.756 10 0 CFAERP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC000044515459 175189967 /nfs/dbraw/zinc/18/99/67/175189967.db2.gz NTFRUONAYBXUDE-MRXNPFEDSA-N 2 0 262.397 2.775 10 0 CFAERP C[NH+]1CCC(Cn2c(N)[nH+]c3cccc(Cl)c32)CC1 ZINC000044526465 175191615 /nfs/dbraw/zinc/19/16/15/175191615.db2.gz PZXWQXHYLJNXQK-UHFFFAOYSA-N 2 0 278.787 2.614 10 0 CFAERP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000044532880 175196119 /nfs/dbraw/zinc/19/61/19/175196119.db2.gz OMGFDVRIPRUVOR-GOEBONIOSA-N 2 0 275.440 2.999 10 0 CFAERP C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000044674985 175226890 /nfs/dbraw/zinc/22/68/90/175226890.db2.gz LXUZNJFNPLJZEV-IAOVAPTHSA-N 2 0 258.409 2.862 10 0 CFAERP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747571 175242909 /nfs/dbraw/zinc/24/29/09/175242909.db2.gz ZCUYKNZDTHHESG-WBMJQRKESA-N 2 0 262.397 2.699 10 0 CFAERP C[C@@H](Cn1c(N)[nH+]c2cc(F)ccc21)[NH+]1CCCCC1 ZINC000045005556 175288102 /nfs/dbraw/zinc/28/81/02/175288102.db2.gz RDIVHINZFUFKAH-NSHDSACASA-N 2 0 276.359 2.632 10 0 CFAERP CCC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045372459 175364872 /nfs/dbraw/zinc/36/48/72/175364872.db2.gz HGKMJBCAKWPEBG-QGZVFWFLSA-N 2 0 297.487 2.665 10 0 CFAERP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045372328 175365001 /nfs/dbraw/zinc/36/50/01/175365001.db2.gz ZHBRIOFVXHLULM-KRWDZBQOSA-N 2 0 297.487 2.665 10 0 CFAERP CCCC[NH+](CCCC)CCCC[C@](C)([NH2+]CC)C(N)=O ZINC000045380584 175369319 /nfs/dbraw/zinc/36/93/19/175369319.db2.gz GYPUAKLTLNVLDP-KRWDZBQOSA-N 2 0 299.503 2.912 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384168 175371151 /nfs/dbraw/zinc/37/11/51/175371151.db2.gz ZDJNGZLTFHBWKT-DOTOQJQBSA-N 2 0 297.487 2.665 10 0 CFAERP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267582 176101223 /nfs/dbraw/zinc/10/12/23/176101223.db2.gz QRJKRZGWEGZXNW-QWRGUYRKSA-N 2 0 263.360 2.588 10 0 CFAERP C[N@H+](CCC[C@@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000071401726 176153856 /nfs/dbraw/zinc/15/38/56/176153856.db2.gz ZSQFJVZMHWBXBU-MRXNPFEDSA-N 2 0 262.397 2.577 10 0 CFAERP C[NH2+]Cc1cc(C)ccc1OCC[NH+]1CCCCC1 ZINC000071403549 176154970 /nfs/dbraw/zinc/15/49/70/176154970.db2.gz CJHVWAJUSPPWMC-UHFFFAOYSA-N 2 0 262.397 2.579 10 0 CFAERP Cc1cccc2[nH]c(C3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)nc21 ZINC000077288161 177249157 /nfs/dbraw/zinc/24/91/57/177249157.db2.gz VCBGGZMCJNSKER-AWEZNQCLSA-N 2 0 298.434 2.660 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400923557 420503690 /nfs/dbraw/zinc/50/36/90/420503690.db2.gz GPLHSERIVJJKTO-NRSFXHEJSA-N 2 0 288.435 2.569 10 0 CFAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)COCc1ccccc1 ZINC000390555053 262216891 /nfs/dbraw/zinc/21/68/91/262216891.db2.gz GNCNAHYDQHMQHJ-CABCVRRESA-N 2 0 264.413 2.699 10 0 CFAERP Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c2ccccc2[nH+]1 ZINC000094342598 274710998 /nfs/dbraw/zinc/71/09/98/274710998.db2.gz IFMZULRXTQFBBV-RISCZKNCSA-N 2 0 255.365 2.717 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000400737980 278348647 /nfs/dbraw/zinc/34/86/47/278348647.db2.gz KKNLESWHFUGHEG-DGCLKSJQSA-N 2 0 297.240 2.579 10 0 CFAERP CCN(CC)[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000094074102 279147409 /nfs/dbraw/zinc/14/74/09/279147409.db2.gz DHCOKFRWJCCKOE-ABHNRTSZSA-N 2 0 289.467 2.929 10 0 CFAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000422799604 279518529 /nfs/dbraw/zinc/51/85/29/279518529.db2.gz XQNWFFDBWKLIIN-RFBLXINOSA-N 2 0 250.430 2.933 10 0 CFAERP Cc1cc(F)ccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000560966644 282044723 /nfs/dbraw/zinc/04/47/23/282044723.db2.gz CLWMFGYZAIJRLQ-HIFRSBDPSA-N 2 0 264.388 2.654 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000582295404 325193190 /nfs/dbraw/zinc/19/31/90/325193190.db2.gz HFXXHTGOXWWLMF-YUTCNCBUSA-N 2 0 266.454 2.965 10 0 CFAERP CC(C)[N@H+](C)CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000052419596 519626892 /nfs/dbraw/zinc/62/68/92/519626892.db2.gz HDMCMHJTCJDDQM-UHFFFAOYSA-N 2 0 262.397 2.658 10 0 CFAERP CC(C)C[NH2+]CC1(C[NH+]2CCC(C)CC2)CCOCC1 ZINC000052180636 519742835 /nfs/dbraw/zinc/74/28/35/519742835.db2.gz IZRLZWJQFTXBOE-UHFFFAOYSA-N 2 0 282.472 2.761 10 0 CFAERP CC(C)[C@@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181745 519791158 /nfs/dbraw/zinc/79/11/58/519791158.db2.gz LRXWPFIUDGOMIJ-CQSZACIVSA-N 2 0 268.445 2.512 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)C2CCCC2)CCOCC1 ZINC000052181347 519910282 /nfs/dbraw/zinc/91/02/82/519910282.db2.gz MMMGDUFZECJZNF-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H](C)CC)O1 ZINC000052454365 519925774 /nfs/dbraw/zinc/92/57/74/519925774.db2.gz NDKBPCPQYHNBLD-KKUMJFAQSA-N 2 0 256.434 2.512 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000069380848 521255838 /nfs/dbraw/zinc/25/58/38/521255838.db2.gz ZKTGSFOAHPMCSL-QGZVFWFLSA-N 2 0 281.488 2.844 10 0 CFAERP C([NH2+]C1CC1)[C@@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425093 518397915 /nfs/dbraw/zinc/39/79/15/518397915.db2.gz JRDRHFJDUGESLT-JKSUJKDBSA-N 2 0 266.429 2.552 10 0 CFAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183022 518753145 /nfs/dbraw/zinc/75/31/45/518753145.db2.gz DRAAHZMXZBQESA-LSDHHAIUSA-N 2 0 280.456 2.656 10 0 CFAERP CC(C)(C)[NH2+]CCCc1cnn(-c2cc[nH+]cc2)c1 ZINC000054680370 518755869 /nfs/dbraw/zinc/75/58/69/518755869.db2.gz YRFREZNVMLWSAY-UHFFFAOYSA-N 2 0 258.369 2.588 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049559070 519345015 /nfs/dbraw/zinc/34/50/15/519345015.db2.gz AZNPMBBYVSHMGJ-GFCCVEGCSA-N 2 0 278.375 2.906 10 0 CFAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815780 519688355 /nfs/dbraw/zinc/68/83/55/519688355.db2.gz JMPVLHHFSKQKQS-MRXNPFEDSA-N 2 0 276.424 2.775 10 0 CFAERP CC(C)C[N@H+](CCN(C)C)[C@@H](C)CCC[NH2+]C(C)C ZINC000052503367 519716785 /nfs/dbraw/zinc/71/67/85/519716785.db2.gz WMOAPIVQEWPCMS-INIZCTEOSA-N 2 0 271.493 2.673 10 0 CFAERP CC(C)[NH2+]C[C@@H](c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052419948 519722967 /nfs/dbraw/zinc/72/29/67/519722967.db2.gz YNDBIELOLOCLAP-SFHVURJKSA-N 2 0 289.467 2.752 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346233 519725387 /nfs/dbraw/zinc/72/53/87/519725387.db2.gz MPZOFTJHGLWXIX-SJORKVTESA-N 2 0 294.414 2.803 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374521 519725892 /nfs/dbraw/zinc/72/58/92/519725892.db2.gz FXKYJTQOZPEGKJ-SJORKVTESA-N 2 0 274.408 2.548 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1OCC[N@H+](C)C1CC1 ZINC000052445368 519728090 /nfs/dbraw/zinc/72/80/90/519728090.db2.gz KNMTVGRNMDFULB-UHFFFAOYSA-N 2 0 262.397 2.658 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457419 519746525 /nfs/dbraw/zinc/74/65/25/519746525.db2.gz WZPCBGRGZIPHBU-CVEARBPZSA-N 2 0 296.480 2.973 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000050370785 519847600 /nfs/dbraw/zinc/84/76/00/519847600.db2.gz ZXYKGJUHKVORNL-BPUTZDHNSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+]C[C@@H](CC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417096 519920946 /nfs/dbraw/zinc/92/09/46/519920946.db2.gz IBRKWFSOYLDYAT-GOSISDBHSA-N 2 0 289.467 2.582 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C(C)(C)CC)O1 ZINC000069448472 519924973 /nfs/dbraw/zinc/92/49/73/519924973.db2.gz QJRQVBCXCJGVCE-KBPBESRZSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(CC)CC2)O1 ZINC000052347066 519925744 /nfs/dbraw/zinc/92/57/44/519925744.db2.gz BZFLTMSLYSAIQZ-HOTGVXAUSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420853 519928062 /nfs/dbraw/zinc/92/80/62/519928062.db2.gz RHOLBUAXNHWQNS-XUWVNRHRSA-N 2 0 268.445 2.512 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425080 519938242 /nfs/dbraw/zinc/93/82/42/519938242.db2.gz PKTUGIIYUXDBPR-CVEARBPZSA-N 2 0 268.445 2.800 10 0 CFAERP CC[NH2+]Cc1nc(OCC[NH+](CC)CC)ccc1Cl ZINC000051549184 520023772 /nfs/dbraw/zinc/02/37/72/520023772.db2.gz IOUGJAGPBHQLPW-UHFFFAOYSA-N 2 0 285.819 2.565 10 0 CFAERP CC[NH2+][C@H](C)CCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065111 520172440 /nfs/dbraw/zinc/17/24/40/520172440.db2.gz XGYIKMDZDIQRGT-HZPDHXFCSA-N 2 0 269.477 2.571 10 0 CFAERP CCCCC[N@H+](C[C@H]1CC[C@H](C[NH2+]C)O1)C(C)C ZINC000052544851 520174826 /nfs/dbraw/zinc/17/48/26/520174826.db2.gz SEHZYFSSAKANOT-HUUCEWRRSA-N 2 0 256.434 2.654 10 0 CFAERP CCCCC[NH2+]C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075261 520225178 /nfs/dbraw/zinc/22/51/78/520225178.db2.gz XPAIYLXMVOXIHI-JKSUJKDBSA-N 2 0 269.477 2.571 10 0 CFAERP CCCC[N@H+](CC1(C[NH3+])CCOCC1)[C@H](C)CC ZINC000052198186 520485113 /nfs/dbraw/zinc/48/51/13/520485113.db2.gz OBONYDYAASJBQA-CQSZACIVSA-N 2 0 256.434 2.643 10 0 CFAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000062740920 520516884 /nfs/dbraw/zinc/51/68/84/520516884.db2.gz UPFDHDQXDWKOOZ-JKSUJKDBSA-N 2 0 262.397 2.577 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050939675 520626089 /nfs/dbraw/zinc/62/60/89/520626089.db2.gz PSOQGWBQLTUNAV-CVEARBPZSA-N 2 0 297.487 2.535 10 0 CFAERP CC[NH+](CC)CCOc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745917 520696569 /nfs/dbraw/zinc/69/65/69/520696569.db2.gz VJYOGBKUDCYITG-NSHDSACASA-N 2 0 254.349 2.566 10 0 CFAERP CC[N@H+](CCOc1ccccc1C[NH2+]C)C(C)C ZINC000052446792 521153575 /nfs/dbraw/zinc/15/35/75/521153575.db2.gz GPZYRFQTWJRCNW-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000069380069 521253076 /nfs/dbraw/zinc/25/30/76/521253076.db2.gz BIYRSMMINIJXGI-MRXNPFEDSA-N 2 0 269.477 2.700 10 0 CFAERP CC[N@H+](Cc1occc1C[NH2+]C(C)C)[C@@H](C)COC ZINC000052504764 521469753 /nfs/dbraw/zinc/46/97/53/521469753.db2.gz LISQELUWSZXILS-ZDUSSCGKSA-N 2 0 268.401 2.634 10 0 CFAERP CC[NH+]1CCC(C[NH2+]CCCOc2ccccc2)CC1 ZINC000061815758 521551587 /nfs/dbraw/zinc/55/15/87/521551587.db2.gz LDDBTMCCIIKIFP-UHFFFAOYSA-N 2 0 276.424 2.777 10 0 CFAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cc1ccsc1 ZINC000054629402 521957117 /nfs/dbraw/zinc/95/71/17/521957117.db2.gz VZBRQHIWLRNSKU-PRTUASRFSA-N 2 0 264.438 2.894 10 0 CFAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346392 522059230 /nfs/dbraw/zinc/05/92/30/522059230.db2.gz ADVQEQXWYCVPGH-LSDHHAIUSA-N 2 0 282.815 2.539 10 0 CFAERP C[NH2+]Cc1cccc(OCC[NH+]2CCC(C)CC2)c1 ZINC000052377015 522132787 /nfs/dbraw/zinc/13/27/87/522132787.db2.gz CKFBLHAOVXQZHH-UHFFFAOYSA-N 2 0 262.397 2.517 10 0 CFAERP C[N@H+](CCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231670211 522907486 /nfs/dbraw/zinc/90/74/86/522907486.db2.gz FLFMXNWVKHQXBV-AWEZNQCLSA-N 2 0 282.815 2.793 10 0 CFAERP C[N@H+](CCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231669531 522912246 /nfs/dbraw/zinc/91/22/46/522912246.db2.gz BBMFPEPZPCZDCG-AWEZNQCLSA-N 2 0 282.815 2.793 10 0 CFAERP CC[C@H]1CO[C@H](C)C[N@@H+]1CCCCC[NH2+]CC(C)C ZINC000052571158 523351838 /nfs/dbraw/zinc/35/18/38/523351838.db2.gz YRRWJCYLAONMKR-CVEARBPZSA-N 2 0 270.461 2.902 10 0 CFAERP CC[C@@H]1C[N@H+](Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052477202 523450304 /nfs/dbraw/zinc/45/03/04/523450304.db2.gz UGZDAKXUMAKKST-GFCCVEGCSA-N 2 0 290.432 2.971 10 0 CFAERP COCC[N@H+](Cc1cc(F)ccc1C[NH3+])[C@@H](C)C1CC1 ZINC000069401440 523740716 /nfs/dbraw/zinc/74/07/16/523740716.db2.gz PUJPYRRAWHJLBU-LBPRGKRZSA-N 2 0 280.387 2.531 10 0 CFAERP CC[C@H](C)C[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181446 523868068 /nfs/dbraw/zinc/86/80/68/523868068.db2.gz CCKTWOFRBBSVFF-HNNXBMFYSA-N 2 0 270.461 2.759 10 0 CFAERP CC[C@H](C)[N@H+](CCCC1CC[NH2+]CC1)CCOC ZINC000050953691 523935489 /nfs/dbraw/zinc/93/54/89/523935489.db2.gz BPBDLWUCGBFVIF-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CC[C@H](C)[NH+]1CCN([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055074354 523958091 /nfs/dbraw/zinc/95/80/91/523958091.db2.gz IMGRHKNHNHVSOH-HOTGVXAUSA-N 2 0 269.477 2.569 10 0 CFAERP CC[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000055063342 523960508 /nfs/dbraw/zinc/96/05/08/523960508.db2.gz WPSZWJOGSTUIFJ-LBPRGKRZSA-N 2 0 281.831 2.719 10 0 CFAERP Cc1ccc(C)c(CN2CCC[N@H+](CCCC[NH3+])CC2)c1 ZINC000049256667 524099859 /nfs/dbraw/zinc/09/98/59/524099859.db2.gz IJYBKJLKIUVAIV-UHFFFAOYSA-N 2 0 289.467 2.550 10 0 CFAERP C[C@H](CC[NH2+]C(C)(C)C)[N@H+](C)CCc1ccccn1 ZINC000052424016 524191974 /nfs/dbraw/zinc/19/19/74/524191974.db2.gz FEVHSRZNBVMGMC-CQSZACIVSA-N 2 0 263.429 2.723 10 0 CFAERP C[C@@H]1CCC[N@@H+]1CCOc1ccccc1C[NH2+]C1CC1 ZINC000052375851 524262156 /nfs/dbraw/zinc/26/21/56/524262156.db2.gz NAIKEBCKOHVXHV-CQSZACIVSA-N 2 0 274.408 2.802 10 0 CFAERP C[C@@H]1CCC[C@@](CNCCC[NH+]2CCCC2)([NH+](C)C)C1 ZINC000049332637 524339462 /nfs/dbraw/zinc/33/94/62/524339462.db2.gz MNMHDUBUNPFRFQ-IAGOWNOFSA-N 2 0 281.488 2.572 10 0 CFAERP C[C@@H](CC(N)=[NH2+])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000048249982 524341180 /nfs/dbraw/zinc/34/11/80/524341180.db2.gz YIGKEXPWUBJKGK-ZDUSSCGKSA-N 2 0 259.397 2.656 10 0 CFAERP C[C@H]1C[N@@H+]([C@@H]2CCCc3sccc32)CC[C@@H]1[NH3+] ZINC000061363731 524664173 /nfs/dbraw/zinc/66/41/73/524664173.db2.gz XARAKQYCZGBIIH-WCFLWFBJSA-N 2 0 250.411 2.795 10 0 CFAERP C[C@@H](Cc1ccco1)[NH2+]CC[C@@H]([NH3+])c1ccccc1 ZINC000049147238 524928935 /nfs/dbraw/zinc/92/89/35/524928935.db2.gz KGHNWBNNPPRBQC-XJKSGUPXSA-N 2 0 258.365 2.890 10 0 CFAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000050563669 525639529 /nfs/dbraw/zinc/63/95/29/525639529.db2.gz OBNRLPYTVNJMKM-UONOGXRCSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@H](c1cccs1)[N@H+](C)Cc1occc1C[NH3+] ZINC000052506670 526153490 /nfs/dbraw/zinc/15/34/90/526153490.db2.gz YQUYAZMTCLQBGR-SNVBAGLBSA-N 2 0 250.367 2.993 10 0 CFAERP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1csc(C[NH3+])n1 ZINC000052546772 526261420 /nfs/dbraw/zinc/26/14/20/526261420.db2.gz IBNJAZRYTLXJIX-CMPLNLGQSA-N 2 0 253.415 2.612 10 0 CFAERP [NH3+]Cc1ccc(OCCC[NH+]2Cc3ccccc3C2)cc1 ZINC000050910520 527255730 /nfs/dbraw/zinc/25/57/30/527255730.db2.gz CEGIYRLHAQVDFB-UHFFFAOYSA-N 2 0 282.387 2.930 10 0 CFAERP C[NH2+][C@@H](C)c1ccccc1N1CC[NH+](C(C)(C)C)CC1 ZINC000048945755 536350829 /nfs/dbraw/zinc/35/08/29/536350829.db2.gz DSPDMHWMNVZELF-AWEZNQCLSA-N 2 0 275.440 2.888 10 0 CFAERP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261667656 618128612 /nfs/dbraw/zinc/12/86/12/618128612.db2.gz ZVLNZIISFJVPLI-GVDBMIGSSA-N 2 0 258.409 2.979 10 0 CFAERP CO[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCC2 ZINC000308393801 618207399 /nfs/dbraw/zinc/20/73/99/618207399.db2.gz NFUYELKLSQUAJQ-UONOGXRCSA-N 2 0 280.456 2.843 10 0 CFAERP c1csc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000178979802 618280052 /nfs/dbraw/zinc/28/00/52/618280052.db2.gz NAQAITWTXZWUAF-ZDUSSCGKSA-N 2 0 265.426 2.670 10 0 CFAERP CCCCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000157960277 623084779 /nfs/dbraw/zinc/08/47/79/623084779.db2.gz AWMOMCSQTHSTLP-OAHLLOKOSA-N 2 0 270.461 2.591 10 0 CFAERP CC[NH2+]Cc1sc(CC[NH+](C)C)nc1C(C)(C)C ZINC000082440816 178019195 /nfs/dbraw/zinc/01/91/95/178019195.db2.gz TWUOFGKWAIJIEQ-UHFFFAOYSA-N 2 0 269.458 2.654 10 0 CFAERP CCc1cc(N2CC[C@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000124596376 187144779 /nfs/dbraw/zinc/14/47/79/187144779.db2.gz HWTUWWGGVCHVGA-AWEZNQCLSA-N 2 0 269.392 2.938 10 0 CFAERP C[NH+]1CCC2(CC1)C[C@H]([NH3+])c1cc(Cl)ccc1O2 ZINC000082509375 178076221 /nfs/dbraw/zinc/07/62/21/178076221.db2.gz RZXUHGJGRZAIJR-LBPRGKRZSA-N 2 0 266.772 2.587 10 0 CFAERP CCC[NH2+][C@](C)(CO)CCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000085241828 178982386 /nfs/dbraw/zinc/98/23/86/178982386.db2.gz HTGCHANWXGCEQH-HOCLYGCPSA-N 2 0 272.477 2.884 10 0 CFAERP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818725 179347630 /nfs/dbraw/zinc/34/76/30/179347630.db2.gz NVKGHPNIJMKZNI-HOCLYGCPSA-N 2 0 276.424 2.700 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000086818886 179347950 /nfs/dbraw/zinc/34/79/50/179347950.db2.gz SZELPUKNGCWNJK-MRXNPFEDSA-N 2 0 284.407 2.651 10 0 CFAERP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086818844 179348043 /nfs/dbraw/zinc/34/80/43/179348043.db2.gz ISCGWZFNQUXEEV-UKRRQHHQSA-N 2 0 292.423 2.839 10 0 CFAERP C[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000086819672 179348592 /nfs/dbraw/zinc/34/85/92/179348592.db2.gz QJWPXOXESSRAKD-FUHWJXTLSA-N 2 0 295.515 2.948 10 0 CFAERP CCC[N@@H+]1CCC[C@@H](NCC[NH+](C(C)C)C(C)C)CC1 ZINC000086834825 179349910 /nfs/dbraw/zinc/34/99/10/179349910.db2.gz SQBCNTYDECAFDE-QGZVFWFLSA-N 2 0 283.504 2.959 10 0 CFAERP CCOC(=O)C[C@@]1([NH+]2CCCCCC2)CCC[N@H+](C)CC1 ZINC000086834393 179350055 /nfs/dbraw/zinc/35/00/55/179350055.db2.gz IKPKDYFOFZVQJC-QGZVFWFLSA-N 2 0 296.455 2.670 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@H](NCCC[NH+]2CCC(C)CC2)CC1 ZINC000086836686 179351927 /nfs/dbraw/zinc/35/19/27/179351927.db2.gz FYWMEVMWLHHTQV-GOSISDBHSA-N 2 0 295.515 2.961 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000086844301 179355680 /nfs/dbraw/zinc/35/56/80/179355680.db2.gz LFRYZYZIPXTCFE-MRXNPFEDSA-N 2 0 282.378 2.971 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CC[NH+](C)C ZINC000104204116 185929772 /nfs/dbraw/zinc/92/97/72/185929772.db2.gz UMFXEYUEPCJCDR-GWCFXTLKSA-N 2 0 289.876 2.673 10 0 CFAERP [NH3+]C[C@H](CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000584636002 348698077 /nfs/dbraw/zinc/69/80/77/348698077.db2.gz KKWJACSXWSZOMM-INIZCTEOSA-N 2 0 284.403 2.604 10 0 CFAERP C[NH+](C)CCCN1c2cc[nH+]cc2CCc2c[nH+]ccc21 ZINC000584638674 348699815 /nfs/dbraw/zinc/69/98/15/348699815.db2.gz FADYJBNNXTUBHM-UHFFFAOYSA-N 3 0 282.391 2.665 10 0 CFAERP [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000089148543 179724693 /nfs/dbraw/zinc/72/46/93/179724693.db2.gz WRXLQEPQBVFERQ-WBVHZDCISA-N 2 0 273.424 2.822 10 0 CFAERP C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000631836578 355600172 /nfs/dbraw/zinc/60/01/72/355600172.db2.gz BUGJEYTXYOSBEB-GWCFXTLKSA-N 2 0 254.324 2.651 10 0 CFAERP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000381724170 540699554 /nfs/dbraw/zinc/69/95/54/540699554.db2.gz RXOAPRDPXCTEMP-MJBXVCDLSA-N 2 0 272.383 2.873 10 0 CFAERP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1F ZINC000154546856 540747452 /nfs/dbraw/zinc/74/74/52/540747452.db2.gz HTBMHOCGSNNCBV-JSGCOSHPSA-N 2 0 250.361 2.879 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000400649288 299380952 /nfs/dbraw/zinc/38/09/52/299380952.db2.gz PPDBWGQPEPPETD-NNYUYHANSA-N 2 0 264.335 2.838 10 0 CFAERP [NH3+]C1(CN[C@@H]2CCC(=O)Nc3ccccc32)CCCCC1 ZINC000333286186 205184495 /nfs/dbraw/zinc/18/44/95/205184495.db2.gz NIEYKMDOFJHUAP-CQSZACIVSA-N 2 0 287.407 2.711 10 0 CFAERP [NH3+]C[C@H](CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000055167794 373543953 /nfs/dbraw/zinc/54/39/53/373543953.db2.gz ZKPDFRWDVGWCJC-ZDUSSCGKSA-N 2 0 252.789 2.868 10 0 CFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCC(C)CC2)CC1 ZINC000121154411 376770914 /nfs/dbraw/zinc/77/09/14/376770914.db2.gz JAOOSSDNMTYUQG-AQFXKWCLSA-N 2 0 296.499 2.837 10 0 CFAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133574836 284738575 /nfs/dbraw/zinc/73/85/75/284738575.db2.gz OFXLUOYLUFUFLS-GOSISDBHSA-N 3 0 289.467 2.760 10 0 CFAERP C[C@@H]([NH3+])[C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000168593166 379091779 /nfs/dbraw/zinc/09/17/79/379091779.db2.gz QQIVGQZSMQACKV-OCCSQVGLSA-N 2 0 255.365 2.798 10 0 CFAERP Cc1cc(N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000335603168 379588376 /nfs/dbraw/zinc/58/83/76/379588376.db2.gz CONZLFUCDRHCMQ-WBVHZDCISA-N 2 0 267.376 2.569 10 0 CFAERP CCN1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000335653018 379668356 /nfs/dbraw/zinc/66/83/56/379668356.db2.gz RDPXEDZUSTWXKW-GXTWGEPZSA-N 2 0 262.422 2.907 10 0 CFAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000400393377 380856663 /nfs/dbraw/zinc/85/66/63/380856663.db2.gz OQDBTHOEDHWXCI-JBLDHEPKSA-N 2 0 254.324 2.613 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400443303 380859533 /nfs/dbraw/zinc/85/95/33/380859533.db2.gz MYPCNWMQNCXDIT-CMPLNLGQSA-N 2 0 272.314 2.793 10 0 CFAERP CC(C)[NH+]1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000343536189 381781278 /nfs/dbraw/zinc/78/12/78/381781278.db2.gz PRAZOORKEUBRIB-ZIAGYGMSSA-N 2 0 268.445 2.652 10 0 CFAERP C[C@H](C[NH2+]Cc1ccnc2ccccc12)C[NH+](C)C ZINC000388787724 382609466 /nfs/dbraw/zinc/60/94/66/382609466.db2.gz RJBYWKAGCCGVBL-CYBMUJFWSA-N 2 0 257.381 2.522 10 0 CFAERP CCCC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195275551 382765587 /nfs/dbraw/zinc/76/55/87/382765587.db2.gz KKIFPIBZIUUCCR-MRXNPFEDSA-N 2 0 261.413 2.635 10 0 CFAERP COc1cc(Br)ccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575439981 382771831 /nfs/dbraw/zinc/77/18/31/382771831.db2.gz QBDLWWBRBYTYOB-LLVKDONJSA-N 2 0 287.201 2.587 10 0 CFAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000423097659 383042475 /nfs/dbraw/zinc/04/24/75/383042475.db2.gz JOVJYQFAHWNSQU-RAZVHJQOSA-N 2 0 274.408 2.924 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067050 383139087 /nfs/dbraw/zinc/13/90/87/383139087.db2.gz IJLGXYBFSXVCNN-KBAYOESNSA-N 2 0 288.435 2.808 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3csc(-c4ccco4)n3)C[C@@H]12 ZINC000261719502 383547914 /nfs/dbraw/zinc/54/79/14/383547914.db2.gz KEPNIMWNYFVSNW-CYZMBNFOSA-N 2 0 289.404 2.572 10 0 CFAERP Cc1ncsc1C[N@H+](C[C@H]1C[C@H]1C)C[C@@H]1CC[NH2+]C1 ZINC000261921877 383580200 /nfs/dbraw/zinc/58/02/00/383580200.db2.gz KPIIFBYXJUNQGU-MRVWCRGKSA-N 2 0 279.453 2.519 10 0 CFAERP Cc1ncsc1C[N@H+](C[C@H]1C[C@@H]1C)C[C@@H]1CC[NH2+]C1 ZINC000261921876 383580356 /nfs/dbraw/zinc/58/03/56/383580356.db2.gz KPIIFBYXJUNQGU-IACUBPJLSA-N 2 0 279.453 2.519 10 0 CFAERP C[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)C[C@@H]1[NH3+] ZINC000261938420 383582687 /nfs/dbraw/zinc/58/26/87/383582687.db2.gz DLEOKVXPSWZOFD-DYVFJYSZSA-N 2 0 274.408 2.787 10 0 CFAERP CCN(Cc1cn(C(C)C)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000261940816 383582827 /nfs/dbraw/zinc/58/28/27/383582827.db2.gz MRVUAUCHKNUIDH-MRXNPFEDSA-N 2 0 278.444 2.736 10 0 CFAERP Cc1cnc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000261951852 383585637 /nfs/dbraw/zinc/58/56/37/383585637.db2.gz OAFLFVMGHGXXLA-ZDUSSCGKSA-N 2 0 279.453 2.631 10 0 CFAERP c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC21CC1 ZINC000261988467 383591226 /nfs/dbraw/zinc/59/12/26/383591226.db2.gz SAXWBLMAZYIXJQ-CQSZACIVSA-N 2 0 256.393 2.533 10 0 CFAERP C[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000643454432 384635711 /nfs/dbraw/zinc/63/57/11/384635711.db2.gz RMSGXNGKHOJTBW-KBPBESRZSA-N 2 0 271.408 2.688 10 0 CFAERP C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@@]1(C)C[NH3+] ZINC000312013108 393520977 /nfs/dbraw/zinc/52/09/77/393520977.db2.gz SJLOAQXVUMPXBH-HFBAOOFYSA-N 2 0 262.372 2.730 10 0 CFAERP Cc1cc(N2CCC[C@@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000044531763 393564642 /nfs/dbraw/zinc/56/46/42/393564642.db2.gz ODMIQRPBBWQNBF-ZDUSSCGKSA-N 2 0 255.365 2.718 10 0 CFAERP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccnc2ccccc12 ZINC000111763223 393887129 /nfs/dbraw/zinc/88/71/29/393887129.db2.gz PKKJSQSPVGQPJL-UHFFFAOYSA-N 2 0 271.408 2.912 10 0 CFAERP Cc1cc(NCCC2(C[NH3+])CC2)c2ccccc2[nH+]1 ZINC000395856117 397554164 /nfs/dbraw/zinc/55/41/64/397554164.db2.gz PBLQHRFGIHSHDC-UHFFFAOYSA-N 2 0 255.365 2.506 10 0 CFAERP Cc1ccc([C@]2(C)CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000261931480 292281091 /nfs/dbraw/zinc/28/10/91/292281091.db2.gz CVXOPCVCWUPVSI-QZTJIDSGSA-N 2 0 272.436 2.958 10 0 CFAERP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(O)cc2)CC1 ZINC000020189071 171054804 /nfs/dbraw/zinc/05/48/04/171054804.db2.gz YKSQLTFMNHBYGE-CYBMUJFWSA-N 2 0 262.397 2.916 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000020365676 171164015 /nfs/dbraw/zinc/16/40/15/171164015.db2.gz SJMLIIVPCOMSTD-HZPDHXFCSA-N 2 0 299.503 2.637 10 0 CFAERP CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365660 171164355 /nfs/dbraw/zinc/16/43/55/171164355.db2.gz GWCBGDQJZBYHNG-JKSUJKDBSA-N 2 0 299.503 2.781 10 0 CFAERP C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022156267 171362377 /nfs/dbraw/zinc/36/23/77/171362377.db2.gz IFUYEDKOGGSGOP-CQSZACIVSA-N 2 0 289.423 2.738 10 0 CFAERP [NH3+]Cc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022165865 171365862 /nfs/dbraw/zinc/36/58/62/171365862.db2.gz DQMPQFCWCAYOOP-UHFFFAOYSA-N 2 0 252.361 2.704 10 0 CFAERP CC[NH2+][C@@H](C)c1cc(C)ccc1OCC[NH+](C)C ZINC000035629774 172310658 /nfs/dbraw/zinc/31/06/58/172310658.db2.gz RUZCBFPMZJSELE-ZDUSSCGKSA-N 2 0 250.386 2.606 10 0 CFAERP CC[N@H+](CCCOc1ccc(C[NH3+])cc1)C(C)C ZINC000037081693 172938672 /nfs/dbraw/zinc/93/86/72/172938672.db2.gz QDIPUHJHLSAAFY-UHFFFAOYSA-N 2 0 250.386 2.645 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037209101 173030475 /nfs/dbraw/zinc/03/04/75/173030475.db2.gz ADESZHYKLIJJDG-ZFWWWQNUSA-N 2 0 264.388 2.688 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCc1ccccn1 ZINC000037486142 173229405 /nfs/dbraw/zinc/22/94/05/173229405.db2.gz RPJWWNNSLXEPCC-OAHLLOKOSA-N 2 0 263.429 2.724 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000038041950 174044042 /nfs/dbraw/zinc/04/40/42/174044042.db2.gz VKDDPOWCNVWUGR-DLBZAZTESA-N 3 0 295.515 2.818 10 0 CFAERP COC(C)(C)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040622475 174354496 /nfs/dbraw/zinc/35/44/96/174354496.db2.gz BWUHNPYTBQLFAP-UONOGXRCSA-N 2 0 256.434 2.510 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040622572 174355501 /nfs/dbraw/zinc/35/55/01/174355501.db2.gz ZILSVIPOLSUWPY-IAGOWNOFSA-N 3 0 295.515 2.817 10 0 CFAERP CCOC1CC[NH+]([C@@H]2C[C@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000040678511 174374913 /nfs/dbraw/zinc/37/49/13/174374913.db2.gz UUSFCOUZMJXTGH-IIAWOOMASA-N 2 0 268.445 2.641 10 0 CFAERP CCOc1ccc([C@@H](C)[NH3+])cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000040718123 174384939 /nfs/dbraw/zinc/38/49/39/174384939.db2.gz WTUUWGRFCMQQBZ-CHWSQXEVSA-N 2 0 262.397 2.947 10 0 CFAERP CC[N@H+](Cc1ccc(OC)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748202 174393399 /nfs/dbraw/zinc/39/33/99/174393399.db2.gz UAGDNYROJAGBMV-YIONKMFJSA-N 2 0 292.398 2.939 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2cccnc21 ZINC000040750374 174394718 /nfs/dbraw/zinc/39/47/18/174394718.db2.gz XTLIJIVDGKUJAG-MQVJKMGUSA-N 2 0 267.376 2.689 10 0 CFAERP CC1(C)Cc2c(ccn2[C@H]2C[NH+]3CCC2CC3)[C@H]([NH3+])C1 ZINC000041725404 174618973 /nfs/dbraw/zinc/61/89/73/174618973.db2.gz FASHOXRKXWGLMS-ZBFHGGJFSA-N 2 0 273.424 2.727 10 0 CFAERP CC1(C)Cc2c(ccn2CC[NH+]2CCCCC2)[C@H]([NH3+])C1 ZINC000041733260 174620191 /nfs/dbraw/zinc/62/01/91/174620191.db2.gz GNOOEAMMAZWUQA-OAHLLOKOSA-N 2 0 275.440 2.946 10 0 CFAERP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC([NH+](C)C)CC1 ZINC000042945325 174920578 /nfs/dbraw/zinc/92/05/78/174920578.db2.gz VDIAOLMZWRJOIX-WBMJQRKESA-N 2 0 295.858 2.754 10 0 CFAERP Cc1cc(C)cc([C@H](C[NH3+])N2CC[NH+](C(C)(C)C)CC2)c1 ZINC000043394360 175034736 /nfs/dbraw/zinc/03/47/36/175034736.db2.gz OTVLNIKHGSTXPZ-KRWDZBQOSA-N 2 0 289.467 2.719 10 0 CFAERP CC1CCC(C[NH3+])(N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424901 175039958 /nfs/dbraw/zinc/03/99/58/175039958.db2.gz IOJSQWRYGQZLDN-PWUWZPNHSA-N 2 0 266.429 2.537 10 0 CFAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(C)cc2C)CC1 ZINC000043805341 175107445 /nfs/dbraw/zinc/10/74/45/175107445.db2.gz LMIPSRGEADRWOX-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH+]1CCN([C@H]2CCCCCC[C@H]2[NH2+]CC)CC1 ZINC000043805505 175107536 /nfs/dbraw/zinc/10/75/36/175107536.db2.gz SBNUOHQXOZFCEN-SJORKVTESA-N 2 0 281.488 2.715 10 0 CFAERP CC[NH+]1CCN([C@@H]2C[C@@H](C(C)(C)CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043805702 175107587 /nfs/dbraw/zinc/10/75/87/175107587.db2.gz HQVWKVMMHQWLQQ-YESZJQIVSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805614 175107773 /nfs/dbraw/zinc/10/77/73/175107773.db2.gz HPVDIMYXRWTQRE-IRXDYDNUSA-N 2 0 281.488 2.715 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccc(CC)cc1 ZINC000043806096 175108208 /nfs/dbraw/zinc/10/82/08/175108208.db2.gz NIFJOWNRENBGNZ-SFHVURJKSA-N 2 0 289.467 2.537 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806208 175108277 /nfs/dbraw/zinc/10/82/77/175108277.db2.gz LWHGGVYNUVMHOP-IKGGRYGDSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810990 175110190 /nfs/dbraw/zinc/11/01/90/175110190.db2.gz YIBAYRGRAQQFQK-IKGGRYGDSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810986 175110297 /nfs/dbraw/zinc/11/02/97/175110297.db2.gz YIBAYRGRAQQFQK-ULQDDVLXSA-N 2 0 295.515 2.817 10 0 CFAERP CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810890 175110448 /nfs/dbraw/zinc/11/04/48/175110448.db2.gz QJSGFMGAMRWCML-MAUKXSAKSA-N 2 0 289.467 2.536 10 0 CFAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815227 175111917 /nfs/dbraw/zinc/11/19/17/175111917.db2.gz JCBWBCVVVFQIRG-CRAIPNDOSA-N 2 0 289.467 2.670 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815358 175112250 /nfs/dbraw/zinc/11/22/50/175112250.db2.gz NHMICOKJDSUMMS-JKSUJKDBSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815303 175112647 /nfs/dbraw/zinc/11/26/47/175112647.db2.gz FCILCAZJHYYHHT-YJBOKZPZSA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(C(C)C)cc1 ZINC000043818225 175112781 /nfs/dbraw/zinc/11/27/81/175112781.db2.gz JWROMHQSFLWJSE-SFHVURJKSA-N 2 0 289.467 2.708 10 0 CFAERP CCC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1 ZINC000043818504 175113081 /nfs/dbraw/zinc/11/30/81/175113081.db2.gz AXSKLZUKWDKXBF-SFHVURJKSA-N 2 0 289.467 2.673 10 0 CFAERP CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818407 175113098 /nfs/dbraw/zinc/11/30/98/175113098.db2.gz AJNVEHSOZKPVDA-AEFFLSMTSA-N 2 0 289.467 2.672 10 0 CFAERP C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N1CCC[N@H+](C)CC1 ZINC000043818133 175113271 /nfs/dbraw/zinc/11/32/71/175113271.db2.gz IUQCLWATYRSMIW-MSOLQXFVSA-N 2 0 289.467 2.609 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890185 175118149 /nfs/dbraw/zinc/11/81/49/175118149.db2.gz IICBOGBISMEWTA-JKSUJKDBSA-N 2 0 268.445 2.798 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043897108 175119735 /nfs/dbraw/zinc/11/97/35/175119735.db2.gz MCBCPKOYNKXNPN-HZPDHXFCSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897188 175120174 /nfs/dbraw/zinc/12/01/74/175120174.db2.gz FZQQCRKVUGTCJA-SQNIBIBYSA-N 2 0 295.515 2.959 10 0 CFAERP CCC[NH2+][C@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907910 175123095 /nfs/dbraw/zinc/12/30/95/175123095.db2.gz AEDCBFXVCSYXTB-ZWKOTPCHSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[NH2+][C@H](C)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000043907934 175123265 /nfs/dbraw/zinc/12/32/65/175123265.db2.gz OJVBLONHDUPFGK-MRXNPFEDSA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H]1CCOC[C@H]1[NH+](CC(C)C)CC(C)C ZINC000043909742 175123355 /nfs/dbraw/zinc/12/33/55/175123355.db2.gz MANAINIJIMGZAR-HZPDHXFCSA-N 2 0 270.461 2.758 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965628 175127131 /nfs/dbraw/zinc/12/71/31/175127131.db2.gz ZFQUVIIQEDVJOB-JKSUJKDBSA-N 2 0 283.504 2.959 10 0 CFAERP CCC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967777 175129192 /nfs/dbraw/zinc/12/91/92/175129192.db2.gz MKVNGTAIWDGWGO-MSOLQXFVSA-N 2 0 293.499 2.857 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967661 175129237 /nfs/dbraw/zinc/12/92/37/175129237.db2.gz FNHSDOQPAUSLIB-CRAIPNDOSA-N 2 0 287.451 2.506 10 0 CFAERP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970441 175131059 /nfs/dbraw/zinc/13/10/59/175131059.db2.gz PDHALOTXUARYMX-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970369 175131116 /nfs/dbraw/zinc/13/11/16/175131116.db2.gz KSDBZNDKJQTAQE-JYJNAYRXSA-N 2 0 270.461 2.758 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970512 175131438 /nfs/dbraw/zinc/13/14/38/175131438.db2.gz HANBAUOKUBUUNO-HOTGVXAUSA-N 2 0 270.461 2.902 10 0 CFAERP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](CCOC)C2CC2)c1 ZINC000043969840 175131504 /nfs/dbraw/zinc/13/15/04/175131504.db2.gz MERAMWLFEAAATC-ZDUSSCGKSA-N 2 0 292.423 2.586 10 0 CFAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970550 175131688 /nfs/dbraw/zinc/13/16/88/175131688.db2.gz SWDMNEYMYVSKLW-MAUKXSAKSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](CCOC)[C@@H](C)CC ZINC000043973197 175132963 /nfs/dbraw/zinc/13/29/63/175132963.db2.gz QCPXHYHLRSKHBM-ZNMIVQPWSA-N 2 0 258.450 2.900 10 0 CFAERP CCC(CC)N(CCOC)C[C@H]([NH2+]C)C(C)(C)C ZINC000043976908 175133026 /nfs/dbraw/zinc/13/30/26/175133026.db2.gz QCXWHAMMTARSAO-AWEZNQCLSA-N 2 0 258.450 2.758 10 0 CFAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977579 175133457 /nfs/dbraw/zinc/13/34/57/175133457.db2.gz UIZMBWFPYRQVCI-WTTBNOFXSA-N 2 0 282.472 2.900 10 0 CFAERP CC[NH2+][C@H](CN(CC[NH+](C)C)CC(C)C)c1ccccc1 ZINC000043982154 175134012 /nfs/dbraw/zinc/13/40/12/175134012.db2.gz ZZLXPYHMUIUCJD-GOSISDBHSA-N 2 0 291.483 2.857 10 0 CFAERP CCC[NH+]1CCN([C@H](c2ccccc2F)[C@H]([NH3+])CC)CC1 ZINC000044418469 175173158 /nfs/dbraw/zinc/17/31/58/175173158.db2.gz KTECKOSBPMIULR-IAGOWNOFSA-N 2 0 293.430 2.632 10 0 CFAERP Cc1[nH]c2ccccc2c1C[NH+]1CCC(C[NH3+])CC1 ZINC000044512277 175188291 /nfs/dbraw/zinc/18/82/91/175188291.db2.gz IOPUMZTXERMKBR-UHFFFAOYSA-N 2 0 257.381 2.647 10 0 CFAERP C[C@H](c1ccc2c(c1)OCCCO2)[NH+]1CCC(C[NH3+])CC1 ZINC000044512059 175188345 /nfs/dbraw/zinc/18/83/45/175188345.db2.gz NQGAGIZDBCEFET-CYBMUJFWSA-N 2 0 290.407 2.580 10 0 CFAERP COc1ccc(CC[C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044512301 175188395 /nfs/dbraw/zinc/18/83/95/175188395.db2.gz KEUAJSJXAMDXRH-CQSZACIVSA-N 2 0 276.424 2.687 10 0 CFAERP Cc1cc(C)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)n1 ZINC000044516774 175190629 /nfs/dbraw/zinc/19/06/29/175190629.db2.gz PKGIGAXKAKDTNA-AWEZNQCLSA-N 2 0 275.440 2.999 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000044517714 175191232 /nfs/dbraw/zinc/19/12/32/175191232.db2.gz RKWYBCHDSCRFOL-MRXNPFEDSA-N 2 0 274.408 2.701 10 0 CFAERP [NH3+]C[C@@H]1CCC[N@H+](CC23CC4CC(CC(C4)C2)C3)C1 ZINC000044529786 175194093 /nfs/dbraw/zinc/19/40/93/175194093.db2.gz QLAVGNQVKKVVDS-SIGVMEELSA-N 2 0 262.441 2.874 10 0 CFAERP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(O)cc1 ZINC000044534769 175197703 /nfs/dbraw/zinc/19/77/03/175197703.db2.gz ICRDGHJDJTXDCU-CJNGLKHVSA-N 2 0 262.397 2.775 10 0 CFAERP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(O)cc1 ZINC000044534767 175197731 /nfs/dbraw/zinc/19/77/31/175197731.db2.gz ICRDGHJDJTXDCU-XJKSGUPXSA-N 2 0 262.397 2.775 10 0 CFAERP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(O)cc1 ZINC000044534765 175197987 /nfs/dbraw/zinc/19/79/87/175197987.db2.gz ICRDGHJDJTXDCU-BBRMVZONSA-N 2 0 262.397 2.775 10 0 CFAERP COc1ccc(OC)c(C[NH2+]CCCC[N@H+](C)C(C)C)c1 ZINC000044573220 175210179 /nfs/dbraw/zinc/21/01/79/175210179.db2.gz CROAZWKLBXFPBZ-UHFFFAOYSA-N 2 0 294.439 2.914 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044762221 175246323 /nfs/dbraw/zinc/24/63/23/175246323.db2.gz WWCBREIRTWAXLV-HNNXBMFYSA-N 2 0 297.487 2.522 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]CCOCCC(C)C)CC1 ZINC000045094049 175306659 /nfs/dbraw/zinc/30/66/59/175306659.db2.gz JQPXHYFYGGIWME-HNNXBMFYSA-N 2 0 270.461 2.759 10 0 CFAERP CCn1nc(C)c([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000045173283 175322564 /nfs/dbraw/zinc/32/25/64/175322564.db2.gz AWFNPMDXLVMZNE-AVOUXACISA-N 2 0 276.428 2.535 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379624 175368186 /nfs/dbraw/zinc/36/81/86/175368186.db2.gz DCVVOKJZZSMWIK-HLLBOEOZSA-N 2 0 297.487 2.663 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379628 175368714 /nfs/dbraw/zinc/36/87/14/175368714.db2.gz DCVVOKJZZSMWIK-YQQAZPJKSA-N 2 0 297.487 2.663 10 0 CFAERP CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CCCC1 ZINC000045390514 175374953 /nfs/dbraw/zinc/37/49/53/175374953.db2.gz LSVZKIZHOAGJAG-KRWDZBQOSA-N 2 0 297.487 2.663 10 0 CFAERP C[NH2+]C[C@@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000071148181 176044261 /nfs/dbraw/zinc/04/42/61/176044261.db2.gz WKWIDBBNZPRUMA-ZDUSSCGKSA-N 2 0 255.365 2.589 10 0 CFAERP C[C@@H]([N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+])C(C)(C)C ZINC000071267918 176101502 /nfs/dbraw/zinc/10/15/02/176101502.db2.gz CVNZWKJMONMOIW-SNVBAGLBSA-N 2 0 265.376 2.976 10 0 CFAERP [NH3+]CC1(c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000071585034 176210575 /nfs/dbraw/zinc/21/05/75/176210575.db2.gz DKNMXLKYTACGSE-UHFFFAOYSA-N 2 0 259.180 2.573 10 0 CFAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(OC)cc2)C1 ZINC000076515308 177031079 /nfs/dbraw/zinc/03/10/79/177031079.db2.gz BYEDBVNPLNRCQB-UONOGXRCSA-N 2 0 262.397 2.688 10 0 CFAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000312634457 260186226 /nfs/dbraw/zinc/18/62/26/260186226.db2.gz HUNRGEZKFISLNZ-IKGGRYGDSA-N 2 0 282.472 2.638 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515582 265183413 /nfs/dbraw/zinc/18/34/13/265183413.db2.gz YVZMIHPVCSDYSD-IXDOHACOSA-N 2 0 283.504 2.863 10 0 CFAERP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000334357920 275940639 /nfs/dbraw/zinc/94/06/39/275940639.db2.gz RFMSVCAHNMIKMN-AEFFLSMTSA-N 2 0 293.499 2.665 10 0 CFAERP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000334624563 277072032 /nfs/dbraw/zinc/07/20/32/277072032.db2.gz JEQOSKLKNWUAQJ-UONOGXRCSA-N 2 0 272.383 2.840 10 0 CFAERP C[NH2+]CC1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000053664124 277265074 /nfs/dbraw/zinc/26/50/74/277265074.db2.gz RGFVGBLLEGTIKF-UHFFFAOYSA-N 2 0 269.392 2.979 10 0 CFAERP C[C@H]([NH2+][C@H]1CCSc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400395352 278283956 /nfs/dbraw/zinc/28/39/56/278283956.db2.gz JHOACQRSLRFAKI-OBJOEFQTSA-N 2 0 262.422 2.811 10 0 CFAERP C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C2CC2)C[C@@]1(C)C[NH3+] ZINC000415059175 288247521 /nfs/dbraw/zinc/24/75/21/288247521.db2.gz XHTSEJNIXJQDFS-DTZQCDIJSA-N 2 0 250.430 2.872 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000248443322 281022578 /nfs/dbraw/zinc/02/25/78/281022578.db2.gz BBQUBXNYWVOFES-XYJFISCASA-N 2 0 296.499 2.837 10 0 CFAERP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000515828750 281298086 /nfs/dbraw/zinc/29/80/86/281298086.db2.gz HXFFFWNQLLHEES-YIYPIFLZSA-N 2 0 256.459 2.638 10 0 CFAERP Cc1cc(F)ccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000560966646 282044631 /nfs/dbraw/zinc/04/46/31/282044631.db2.gz CLWMFGYZAIJRLQ-ZFWWWQNUSA-N 2 0 264.388 2.654 10 0 CFAERP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334185252 289394510 /nfs/dbraw/zinc/39/45/10/289394510.db2.gz DWAJOFSBZPKAOW-HOTGVXAUSA-N 2 0 280.456 2.798 10 0 CFAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000262003830 289728740 /nfs/dbraw/zinc/72/87/40/289728740.db2.gz QRPLXKAECWTDDN-LVQVYYBASA-N 2 0 268.445 2.844 10 0 CFAERP CC(C)C[C@@H]1CSC(NCC[NH+]2CCCCC2)=[NH+]1 ZINC000049575374 519277856 /nfs/dbraw/zinc/27/78/56/519277856.db2.gz XUPPDVCCYFXUIQ-CYBMUJFWSA-N 2 0 269.458 2.579 10 0 CFAERP CCC[NH+]1CCN(CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052421995 519857561 /nfs/dbraw/zinc/85/75/61/519857561.db2.gz NDPOGSSZPMGMQW-UHFFFAOYSA-N 2 0 269.477 2.572 10 0 CFAERP CC[N@H+](C)CCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000052446106 520240595 /nfs/dbraw/zinc/24/05/95/520240595.db2.gz OEWXGJAYACKHKC-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CCCC[N@H+](CC)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052418838 520479052 /nfs/dbraw/zinc/47/90/52/520479052.db2.gz WLPJVWNSLSUBMY-CABCVRRESA-N 2 0 256.434 2.654 10 0 CFAERP CCC(C)(C)[N@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000069429430 521302559 /nfs/dbraw/zinc/30/25/59/521302559.db2.gz JSDZZEKAIWGDLU-UHFFFAOYSA-N 2 0 264.413 2.687 10 0 CFAERP CCC[N@H+](C)CCOc1cccc(C[NH2+]CC)c1 ZINC000052444501 521486154 /nfs/dbraw/zinc/48/61/54/521486154.db2.gz GDOUSVJYJRGORG-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CC(C)N1CC[NH+]([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052480097 519682707 /nfs/dbraw/zinc/68/27/07/519682707.db2.gz YYAWDAVECQIPEG-HNNXBMFYSA-N 2 0 269.477 2.569 10 0 CFAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815781 519686756 /nfs/dbraw/zinc/68/67/56/519686756.db2.gz JMPVLHHFSKQKQS-INIZCTEOSA-N 2 0 276.424 2.775 10 0 CFAERP CC(C)[NH2+]CC1(C[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000052180952 519719866 /nfs/dbraw/zinc/71/98/66/519719866.db2.gz MNSQGYJBFYXYHC-UHFFFAOYSA-N 2 0 290.451 2.913 10 0 CFAERP CC(C)[NH2+]Cc1cccc(COCCC[NH+](C)C)c1 ZINC000052672312 519727201 /nfs/dbraw/zinc/72/72/01/519727201.db2.gz UEARTYZAMMDHIQ-UHFFFAOYSA-N 2 0 264.413 2.653 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCN(C)CC1 ZINC000052419938 519727966 /nfs/dbraw/zinc/72/79/66/519727966.db2.gz VDQLXEMLIDWDKI-UHFFFAOYSA-N 2 0 289.467 2.711 10 0 CFAERP CC(C)C[NH2+]CC[C@H](C)N(CC[NH+](C)C)CC(C)C ZINC000052503428 519744033 /nfs/dbraw/zinc/74/40/33/519744033.db2.gz UCQOZYGZKZKAIT-INIZCTEOSA-N 2 0 271.493 2.530 10 0 CFAERP CC(C)C[NH2+]Cc1ccccc1OCC[N@H+](C)C1CC1 ZINC000052445374 519747779 /nfs/dbraw/zinc/74/77/79/519747779.db2.gz LGXYRMZBEFYSNS-UHFFFAOYSA-N 2 0 276.424 2.905 10 0 CFAERP CC(C)C[NH2+]Cc1coc(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000052484547 519748551 /nfs/dbraw/zinc/74/85/51/519748551.db2.gz OBYUIPMHYGWXEL-ZDUSSCGKSA-N 2 0 250.386 2.867 10 0 CFAERP CCC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052347081 519859079 /nfs/dbraw/zinc/85/90/79/519859079.db2.gz NSUYTSXMOLURFZ-IAGOWNOFSA-N 2 0 282.472 2.902 10 0 CFAERP CCC[NH+]1CCN(Cc2ccc(C[NH2+]C(C)C)cc2)CC1 ZINC000052422002 519859295 /nfs/dbraw/zinc/85/92/95/519859295.db2.gz PINIYXDPPUBOIE-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP CCC[NH2+]CC1(CN(CCC)CC[NH+](C)C)CCCC1 ZINC000051254277 519910363 /nfs/dbraw/zinc/91/03/63/519910363.db2.gz ZJNWALCPMHAJGJ-UHFFFAOYSA-N 2 0 283.504 2.820 10 0 CFAERP CC[NH2+]CCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443423 519919206 /nfs/dbraw/zinc/91/92/06/519919206.db2.gz KSRNXEOCOBFVFW-UHFFFAOYSA-N 2 0 295.858 2.852 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)O1 ZINC000052425389 519936396 /nfs/dbraw/zinc/93/63/96/519936396.db2.gz NNDPXDNPKUBUEW-SJORKVTESA-N 2 0 294.414 2.805 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346229 519936612 /nfs/dbraw/zinc/93/66/12/519936612.db2.gz COXPNTXOVUCHOV-SJORKVTESA-N 2 0 294.414 2.805 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCC(C)CC2)O1 ZINC000052345454 519977584 /nfs/dbraw/zinc/97/75/84/519977584.db2.gz FFTJRPYKSYDJON-FJBKBRRZSA-N 2 0 268.445 2.654 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000052381392 519999300 /nfs/dbraw/zinc/99/93/00/519999300.db2.gz VLZQLJYFVYSRBH-HNNXBMFYSA-N 2 0 276.424 2.907 10 0 CFAERP CC[NH2+]Cc1cccc(C[N@H+](CCN(C)C)CC(C)C)c1 ZINC000052503307 520004223 /nfs/dbraw/zinc/00/42/23/520004223.db2.gz DDJFQXDBAJDJNV-UHFFFAOYSA-N 2 0 291.483 2.816 10 0 CFAERP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045423634 520105331 /nfs/dbraw/zinc/10/53/31/520105331.db2.gz VHZRTOKFOSNPIK-ZMSDIMECSA-N 2 0 297.487 2.521 10 0 CFAERP CC1(C)C[N@H+](Cc2ccccc2C[NH2+]C2CC2)CCO1 ZINC000052481913 520483256 /nfs/dbraw/zinc/48/32/56/520483256.db2.gz MDBMZLAOMRKSSZ-UHFFFAOYSA-N 2 0 274.408 2.549 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000049332304 520637664 /nfs/dbraw/zinc/63/76/64/520637664.db2.gz HTAPRAAPFPHIOI-INIZCTEOSA-N 3 0 269.477 2.572 10 0 CFAERP CCC[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049287614 520654818 /nfs/dbraw/zinc/65/48/18/520654818.db2.gz WPOOZBRRFIPSNV-OAHLLOKOSA-N 2 0 297.487 2.665 10 0 CFAERP CC[N@H+](CC1(C[NH2+]C)CCOCC1)C1CCCCC1 ZINC000052180530 520937028 /nfs/dbraw/zinc/93/70/28/520937028.db2.gz ASQUYNDZVXRZOJ-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CC[N@H+](CC1CC1)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000069239940 520957752 /nfs/dbraw/zinc/95/77/52/520957752.db2.gz CTMIWYJLVHVLQJ-KRWDZBQOSA-N 2 0 282.472 2.761 10 0 CFAERP CC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052377163 521019266 /nfs/dbraw/zinc/01/92/66/521019266.db2.gz GRKJNSQZBAHEOF-GJZGRUSLSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[C@](C)(C[NH2+]C(C)C)CN1CC[NH+](C2CC2)CC1 ZINC000051285103 521267039 /nfs/dbraw/zinc/26/70/39/521267039.db2.gz IUJNDNPYQORHAF-QGZVFWFLSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[N@H+](C)CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000052444504 521483893 /nfs/dbraw/zinc/48/38/93/521483893.db2.gz LZSAAWWLOSXEDS-UHFFFAOYSA-N 2 0 262.397 2.659 10 0 CFAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccccc1CC ZINC000052203909 521657917 /nfs/dbraw/zinc/65/79/17/521657917.db2.gz QGXVJQABMOZWDC-QGZVFWFLSA-N 2 0 277.456 2.522 10 0 CFAERP CC[NH+]1CCN([C@@H](C[NH2+]CC(C)C)c2ccccc2)CC1 ZINC000052422568 521692503 /nfs/dbraw/zinc/69/25/03/521692503.db2.gz OOFMHUWYEMVCIN-SFHVURJKSA-N 2 0 289.467 2.611 10 0 CFAERP C[NH+](C)Cc1cccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050944089 521927688 /nfs/dbraw/zinc/92/76/88/521927688.db2.gz TYBWYWFDJNMGDT-HNNXBMFYSA-N 2 0 289.423 2.609 10 0 CFAERP C[NH2+]CCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443409 521991124 /nfs/dbraw/zinc/99/11/24/521991124.db2.gz FKIIRIFZTUJKDV-UHFFFAOYSA-N 2 0 295.858 2.852 10 0 CFAERP CC[C@@H](C)[N@H+](CCCC[NH2+]C(C)(C)C)CCOC ZINC000052547195 522084209 /nfs/dbraw/zinc/08/42/09/522084209.db2.gz VECBJPUEZACCQL-CQSZACIVSA-N 2 0 258.450 2.902 10 0 CFAERP C[NH2+]Cc1c2ccccc2oc1C[NH+]1CCC(OC)CC1 ZINC000052455364 522099506 /nfs/dbraw/zinc/09/95/06/522099506.db2.gz COURDKWTFYXXOF-UHFFFAOYSA-N 2 0 288.391 2.763 10 0 CFAERP C[NH2+]Cc1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000052381916 522133068 /nfs/dbraw/zinc/13/30/68/522133068.db2.gz HTGPMDJMDHEJJO-UHFFFAOYSA-N 2 0 262.397 2.661 10 0 CFAERP C[NH2+]Cc1occc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373079 522164644 /nfs/dbraw/zinc/16/46/44/522164644.db2.gz WJARODYRFMNMQU-OAHLLOKOSA-N 2 0 270.376 2.989 10 0 CFAERP C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1C[N@H+](C)CC1CC1 ZINC000054560070 522398411 /nfs/dbraw/zinc/39/84/11/522398411.db2.gz BPHAFNXYRJPVIN-HRCADAONSA-N 2 0 252.446 2.989 10 0 CFAERP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(O)cc1 ZINC000049553199 522687965 /nfs/dbraw/zinc/68/79/65/522687965.db2.gz XHLDYRQEHASZMF-WFASDCNBSA-N 2 0 250.386 2.773 10 0 CFAERP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(O)cc1 ZINC000049553202 522932641 /nfs/dbraw/zinc/93/26/41/522932641.db2.gz XHLDYRQEHASZMF-IUODEOHRSA-N 2 0 250.386 2.773 10 0 CFAERP CC[C@@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052181829 523251212 /nfs/dbraw/zinc/25/12/12/523251212.db2.gz RVFXWDWBLGNTKC-OAHLLOKOSA-N 2 0 280.456 2.657 10 0 CFAERP CCn1cc[nH+]c1N(CCC[NH3+])c1ccccc1C ZINC000050607877 523546405 /nfs/dbraw/zinc/54/64/05/523546405.db2.gz ZDWRTGYCYOKFET-UHFFFAOYSA-N 2 0 258.369 2.698 10 0 CFAERP C[NH+]1CCC(N2CC(C)(C)[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000062704301 523768007 /nfs/dbraw/zinc/76/80/07/523768007.db2.gz KCNIPIDVZYYRED-KRWDZBQOSA-N 2 0 287.451 2.506 10 0 CFAERP COCC[N@H+]([C@@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000052545477 523781724 /nfs/dbraw/zinc/78/17/24/523781724.db2.gz RZHVWBZSHIRODO-KBPBESRZSA-N 2 0 270.461 2.900 10 0 CFAERP CC[C@H](C)[N@H+](C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052444155 523922685 /nfs/dbraw/zinc/92/26/85/523922685.db2.gz QAEAMYDKUFCHLX-ZDUSSCGKSA-N 2 0 250.386 2.515 10 0 CFAERP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328119 523962899 /nfs/dbraw/zinc/96/28/99/523962899.db2.gz ZXEUQNNOTLSSPJ-WCQYABFASA-N 2 0 250.411 2.667 10 0 CFAERP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328116 523982676 /nfs/dbraw/zinc/98/26/76/523982676.db2.gz ZXEUQNNOTLSSPJ-DGCLKSJQSA-N 2 0 250.411 2.667 10 0 CFAERP COc1ccc(C[N@H+](C)CCCC[C@H](C)[NH3+])cc1 ZINC000045601290 524003041 /nfs/dbraw/zinc/00/30/41/524003041.db2.gz NOHNAFAFHMHTGG-ZDUSSCGKSA-N 2 0 250.386 2.645 10 0 CFAERP C[NH+](C)CCCOCc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052672548 524058327 /nfs/dbraw/zinc/05/83/27/524058327.db2.gz XOWALIHSVNWQTK-UHFFFAOYSA-N 2 0 268.401 2.636 10 0 CFAERP Cc1cc(C)c(C[NH2+]CC(C)C)c(OCCC[NH+](C)C)n1 ZINC000051549301 524269767 /nfs/dbraw/zinc/26/97/67/524269767.db2.gz HJQVWWQNGZKKPU-UHFFFAOYSA-N 2 0 293.455 2.775 10 0 CFAERP C[C@H](C[NH3+])CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000049848516 524305634 /nfs/dbraw/zinc/30/56/34/524305634.db2.gz OZRWMIRMDUNVKZ-HNNXBMFYSA-N 2 0 260.425 2.926 10 0 CFAERP COc1ccccc1C1CC([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000049553951 524375670 /nfs/dbraw/zinc/37/56/70/524375670.db2.gz IJJKYRJHOAFLOY-WLYUNCDWSA-N 2 0 276.424 2.871 10 0 CFAERP C[C@@H](CC[NH2+]C(C)(C)C)[N@H+](C)CCc1ccccn1 ZINC000052424015 524496152 /nfs/dbraw/zinc/49/61/52/524496152.db2.gz FEVHSRZNBVMGMC-AWEZNQCLSA-N 2 0 263.429 2.723 10 0 CFAERP C[C@H]1C[NH+](Cc2c(C[NH3+])oc3ccccc32)C[C@H](C)O1 ZINC000052380407 524606508 /nfs/dbraw/zinc/60/65/08/524606508.db2.gz MFCYFAQQGJZJRV-RYUDHWBXSA-N 2 0 274.364 2.501 10 0 CFAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCCc2sccc21 ZINC000061363762 524785253 /nfs/dbraw/zinc/78/52/53/524785253.db2.gz DNBQVSOZIQPMKP-GMXVVIOVSA-N 2 0 250.411 2.937 10 0 CFAERP C[C@H](c1cccs1)[N@H+](C)Cc1ccoc1C[NH3+] ZINC000052506697 526152250 /nfs/dbraw/zinc/15/22/50/526152250.db2.gz KSMCNHRKLMYGID-SNVBAGLBSA-N 2 0 250.367 2.993 10 0 CFAERP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484667 526774823 /nfs/dbraw/zinc/77/48/23/526774823.db2.gz HVKYIMHLLGAGPF-GFCCVEGCSA-N 2 0 250.386 2.928 10 0 CFAERP [NH3+]C1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000051693879 527141330 /nfs/dbraw/zinc/14/13/30/527141330.db2.gz BDDKPFFQTRYGIS-UHFFFAOYSA-N 2 0 262.372 2.931 10 0 CFAERP [NH3+]Cc1ccoc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373076 527261917 /nfs/dbraw/zinc/26/19/17/527261917.db2.gz IWVWCWJWEMTFPF-OAHLLOKOSA-N 2 0 256.349 2.728 10 0 CFAERP C[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H]1CCC[NH2+]CC1 ZINC000226466985 545499738 /nfs/dbraw/zinc/49/97/38/545499738.db2.gz YOKDBQMJUITVJA-HUUCEWRRSA-N 2 0 266.429 2.552 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc4ccccc34)C[C@@H]12 ZINC000261576895 618107510 /nfs/dbraw/zinc/10/75/10/618107510.db2.gz CJZDMZRBWMBEBS-KCPJHIHWSA-N 2 0 256.349 2.602 10 0 CFAERP C[C@@H]1CCN(c2cc[nH+]c3ccccc32)C[C@H]1C[NH3+] ZINC000253194434 619018452 /nfs/dbraw/zinc/01/84/52/619018452.db2.gz PZATYLQAHPERHS-CHWSQXEVSA-N 2 0 255.365 2.656 10 0 CFAERP COc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)c2ccccc12 ZINC000261785214 619262352 /nfs/dbraw/zinc/26/23/52/619262352.db2.gz PWZXAVDPLPHBHS-WBMJQRKESA-N 2 0 270.376 2.770 10 0 CFAERP C[N@H+](Cc1cncc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000231465403 623349633 /nfs/dbraw/zinc/34/96/33/623349633.db2.gz PIJNAUSZDCRDSA-INIZCTEOSA-N 2 0 269.392 2.809 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089149289 623588053 /nfs/dbraw/zinc/58/80/53/623588053.db2.gz LKZRJHMUQJMRHK-WNYYMSAVSA-N 2 0 264.335 2.825 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000093465380 650940891 /nfs/dbraw/zinc/94/08/91/650940891.db2.gz USRSORZRKNDPPM-IPYPFGDCSA-N 2 0 292.423 2.885 10 0 CFAERP CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccc(F)cc21 ZINC000082509366 178076290 /nfs/dbraw/zinc/07/62/90/178076290.db2.gz ANJJBJNXPSRSJD-AWEZNQCLSA-N 2 0 278.371 2.723 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CC[NH2+]C1 ZINC000400462985 290010934 /nfs/dbraw/zinc/01/09/34/290010934.db2.gz VEGMTMPYYJGXBK-WHOHXGKFSA-N 2 0 264.335 2.695 10 0 CFAERP CCN1CCO[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000134438729 347897840 /nfs/dbraw/zinc/89/78/40/347897840.db2.gz LZSAXBIJJJMADK-QGZVFWFLSA-N 2 0 290.451 2.794 10 0 CFAERP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818706 179347252 /nfs/dbraw/zinc/34/72/52/179347252.db2.gz IEFIPSHAECDESE-DOTOQJQBSA-N 2 0 260.425 3.000 10 0 CFAERP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086818845 179348682 /nfs/dbraw/zinc/34/86/82/179348682.db2.gz ISCGWZFNQUXEEV-ZFWWWQNUSA-N 2 0 292.423 2.839 10 0 CFAERP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817362 179344293 /nfs/dbraw/zinc/34/42/93/179344293.db2.gz WQEDXFIHSPHZHO-KGLIPLIRSA-N 2 0 250.386 2.675 10 0 CFAERP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086817405 179344703 /nfs/dbraw/zinc/34/47/03/179344703.db2.gz MWLCTOBQSLGYKP-XJKSGUPXSA-N 2 0 289.423 2.780 10 0 CFAERP C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817361 179345183 /nfs/dbraw/zinc/34/51/83/179345183.db2.gz WQEDXFIHSPHZHO-KBPBESRZSA-N 2 0 250.386 2.675 10 0 CFAERP C[NH+](C)Cc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818511 179346706 /nfs/dbraw/zinc/34/67/06/179346706.db2.gz NATSZTDQJMRFEM-HNNXBMFYSA-N 2 0 261.413 2.644 10 0 CFAERP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818707 179346962 /nfs/dbraw/zinc/34/69/62/179346962.db2.gz IEFIPSHAECDESE-WBVHZDCISA-N 2 0 260.425 3.000 10 0 CFAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCCCC2)CC1 ZINC000086847299 179356009 /nfs/dbraw/zinc/35/60/09/179356009.db2.gz QLAVZUQGYMKLJP-QGZVFWFLSA-N 2 0 281.488 2.844 10 0 CFAERP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000086844298 179355571 /nfs/dbraw/zinc/35/55/71/179355571.db2.gz LFRYZYZIPXTCFE-INIZCTEOSA-N 2 0 282.378 2.971 10 0 CFAERP C[N@H+](CCC[NH2+]C[C@@H](O)C(C)(C)C)Cc1ccccc1 ZINC000309866605 348408275 /nfs/dbraw/zinc/40/82/75/348408275.db2.gz MVXJMRCFCLRHNK-MRXNPFEDSA-N 2 0 278.440 2.505 10 0 CFAERP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2N)C[N@@H+]1Cc1ccccc1 ZINC000306581259 348389919 /nfs/dbraw/zinc/38/99/19/348389919.db2.gz OMTULPYBHFTGNT-UKRRQHHQSA-N 2 0 282.391 2.739 10 0 CFAERP Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000630565882 355113806 /nfs/dbraw/zinc/11/38/06/355113806.db2.gz BENSMXCJXUZDQN-AAEUAGOBSA-N 2 0 255.365 2.574 10 0 CFAERP Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000630565885 355113844 /nfs/dbraw/zinc/11/38/44/355113844.db2.gz BENSMXCJXUZDQN-YPMHNXCESA-N 2 0 255.365 2.574 10 0 CFAERP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381662517 540698304 /nfs/dbraw/zinc/69/83/04/540698304.db2.gz JXASEVMIIVWYBA-HZSPNIEDSA-N 2 0 272.383 2.743 10 0 CFAERP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000180892185 189282172 /nfs/dbraw/zinc/28/21/72/189282172.db2.gz PJRAOTUMQZWAHZ-DZGCQCFKSA-N 2 0 292.423 2.839 10 0 CFAERP C[C@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)C1C[NH2+]C1 ZINC000422981130 299342728 /nfs/dbraw/zinc/34/27/28/299342728.db2.gz NIQYCANPEGDONU-HOGDBLQHSA-N 2 0 262.441 2.789 10 0 CFAERP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000085636254 374801746 /nfs/dbraw/zinc/80/17/46/374801746.db2.gz XKKFLGRQKSGXDM-JONQDZQNSA-N 2 0 280.456 2.512 10 0 CFAERP C[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261507924 190040185 /nfs/dbraw/zinc/04/01/85/190040185.db2.gz NWKPTWWOFZVAAU-DGCLKSJQSA-N 2 0 272.314 2.527 10 0 CFAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000146253767 378251390 /nfs/dbraw/zinc/25/13/90/378251390.db2.gz SFYJWIQTIDNONX-MRXNPFEDSA-N 2 0 255.365 2.856 10 0 CFAERP C[C@@H]([NH3+])[C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000168593003 379092295 /nfs/dbraw/zinc/09/22/95/379092295.db2.gz QQIVGQZSMQACKV-TZMCWYRMSA-N 2 0 255.365 2.798 10 0 CFAERP CC[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000402537548 380886246 /nfs/dbraw/zinc/88/62/46/380886246.db2.gz CTDPNXKKIZNKMX-DCAQKATOSA-N 2 0 252.324 2.553 10 0 CFAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12CC[NH2+]C[C@H]2C ZINC000306159939 382454043 /nfs/dbraw/zinc/45/40/43/382454043.db2.gz SAXVOWYQSQSZGA-HLLBOEOZSA-N 2 0 258.409 2.897 10 0 CFAERP C[C@H](CC[NH2+]C1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000379657181 382507248 /nfs/dbraw/zinc/50/72/48/382507248.db2.gz RXLVZOBYDFJMHZ-FAEJEUNOSA-N 3 0 289.467 2.757 10 0 CFAERP CCCC[N@H+](CC)CCC[C@](C)(CO)[NH2+]C(C)C ZINC000085216298 184605458 /nfs/dbraw/zinc/60/54/58/184605458.db2.gz AXWABTDVXUVCEH-OAHLLOKOSA-N 2 0 258.450 2.638 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(Br)c1 ZINC000575438035 382771003 /nfs/dbraw/zinc/77/10/03/382771003.db2.gz COMYNOWWAYAISM-NSHDSACASA-N 2 0 257.175 2.578 10 0 CFAERP [NH3+]CC[C@@H]([NH3+])c1c(Cl)cccc1C(F)(F)F ZINC000575439816 382771418 /nfs/dbraw/zinc/77/14/18/382771418.db2.gz YDNLWYNMQLMFLR-MRVPVSSYSA-N 2 0 252.667 2.707 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccccc1Br ZINC000575439199 382771442 /nfs/dbraw/zinc/77/14/42/382771442.db2.gz XUTMRMGNDPMHEB-LLVKDONJSA-N 2 0 257.175 2.578 10 0 CFAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000249123873 383329336 /nfs/dbraw/zinc/32/93/36/383329336.db2.gz TXJJUHRZIFBZFS-SJORKVTESA-N 2 0 291.439 2.597 10 0 CFAERP Cc1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998831 383455928 /nfs/dbraw/zinc/45/59/28/383455928.db2.gz LOXUEKNRVGXXEP-AAEUAGOBSA-N 2 0 258.365 2.768 10 0 CFAERP C[C@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000261539081 383508492 /nfs/dbraw/zinc/50/84/92/383508492.db2.gz BMPKSIQQRTZZEJ-IWCVFHTOSA-N 2 0 287.451 2.509 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000261555848 383512053 /nfs/dbraw/zinc/51/20/53/383512053.db2.gz QCUQLSRHUOTVHG-VHRBIJSZSA-N 2 0 250.773 2.509 10 0 CFAERP C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261568334 383514842 /nfs/dbraw/zinc/51/48/42/383514842.db2.gz KBKTVBFHYCIDNB-ZFWWWQNUSA-N 2 0 264.388 2.688 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)C[C@H]12 ZINC000261624311 383531212 /nfs/dbraw/zinc/53/12/12/383531212.db2.gz VCLIHZFMZQPKPM-XBVQOTNRSA-N 2 0 256.393 2.733 10 0 CFAERP CCN(Cc1cn(C(C)C)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000261940815 383582800 /nfs/dbraw/zinc/58/28/00/383582800.db2.gz MRVUAUCHKNUIDH-INIZCTEOSA-N 2 0 278.444 2.736 10 0 CFAERP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261940811 383583441 /nfs/dbraw/zinc/58/34/41/383583441.db2.gz MRQGKWSLTZGWGZ-WOPDTQHZSA-N 2 0 264.335 2.649 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)C[C@@H]12 ZINC000262031021 383597582 /nfs/dbraw/zinc/59/75/82/383597582.db2.gz XEYHEJZCSATHQB-KBAYOESNSA-N 2 0 286.419 2.645 10 0 CFAERP CC[N@H+](Cc1ccc(C)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261764337 383555819 /nfs/dbraw/zinc/55/58/19/383555819.db2.gz DDZQWQSCJLQGAT-MRXNPFEDSA-N 2 0 276.424 2.968 10 0 CFAERP C[C@H](CN1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787496 383560016 /nfs/dbraw/zinc/56/00/16/383560016.db2.gz FXXLXCBUIBQTPX-BXUZGUMPSA-N 2 0 252.789 2.867 10 0 CFAERP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261823066 383565701 /nfs/dbraw/zinc/56/57/01/383565701.db2.gz IMVQFGJUGJGYDQ-BFHYXJOUSA-N 2 0 287.432 2.774 10 0 CFAERP COCC1(CNc2cc(C)[nH+]c3ccccc23)CC[NH2+]CC1 ZINC000262562966 383627782 /nfs/dbraw/zinc/62/77/82/383627782.db2.gz VWAFREAIQQHEQD-UHFFFAOYSA-N 2 0 299.418 2.971 10 0 CFAERP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572850222 383827779 /nfs/dbraw/zinc/82/77/79/383827779.db2.gz DQAXXJHONRNZRP-XNGJBWTFSA-N 2 0 258.409 2.910 10 0 CFAERP C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643481422 384657203 /nfs/dbraw/zinc/65/72/03/384657203.db2.gz IAIHRNBWKRAPSS-SEEUUAMPSA-N 2 0 288.435 2.712 10 0 CFAERP COc1cccc2c1ncc(C)c2N1CC[C@H]([NH+](C)C)C1 ZINC000276157139 385983800 /nfs/dbraw/zinc/98/38/00/385983800.db2.gz FQPPZTCCABMQLL-ZDUSSCGKSA-N 2 0 285.391 2.692 10 0 CFAERP CC[C@@H]1CN(c2cc[nH+]c(C)c2Cl)CC[C@@H]1[NH3+] ZINC000383585462 393574056 /nfs/dbraw/zinc/57/40/56/393574056.db2.gz MTJZKZSJPJWSDO-MNOVXSKESA-N 2 0 253.777 2.607 10 0 CFAERP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)c1C ZINC000045171398 393569844 /nfs/dbraw/zinc/56/98/44/393569844.db2.gz ZOXGKNXTKBCFBQ-DOMZBBRYSA-N 2 0 278.444 2.512 10 0 CFAERP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000045171435 393570074 /nfs/dbraw/zinc/57/00/74/393570074.db2.gz IBMUHBJZCRLPCM-WFASDCNBSA-N 2 0 290.455 2.655 10 0 CFAERP CSCCC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195279828 393736383 /nfs/dbraw/zinc/73/63/83/393736383.db2.gz XNDRBRPJQWIUBO-INIZCTEOSA-N 2 0 293.480 2.588 10 0 CFAERP C[C@@H]1C[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092389149 393787954 /nfs/dbraw/zinc/78/79/54/393787954.db2.gz LXHMTHILHCHNRH-DOMZBBRYSA-N 2 0 293.842 2.590 10 0 CFAERP c1ccc(N2CC[NH+](CCC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000043591735 134906158 /nfs/dbraw/zinc/90/61/58/134906158.db2.gz HURVGYBJJYXAEH-QGZVFWFLSA-N 2 0 287.451 2.588 10 0 CFAERP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000684963135 542879527 /nfs/dbraw/zinc/87/95/27/542879527.db2.gz NLQVIEDFXIPRGE-MGPQQGTHSA-N 2 0 268.445 2.510 10 0 CFAERP Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000178215880 394386707 /nfs/dbraw/zinc/38/67/07/394386707.db2.gz MGENZULJWWUDCI-CQSZACIVSA-N 2 0 285.366 2.967 10 0 CFAERP C[C@@H]1C[C@H]1[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092389153 135076280 /nfs/dbraw/zinc/07/62/80/135076280.db2.gz LXHMTHILHCHNRH-IUODEOHRSA-N 2 0 293.842 2.590 10 0 CFAERP C[C@H]([NH2+][C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000037220955 543027357 /nfs/dbraw/zinc/02/73/57/543027357.db2.gz XZKUSQPDYQXPLY-GUYCJALGSA-N 2 0 258.409 2.994 10 0 CFAERP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000394523430 397549734 /nfs/dbraw/zinc/54/97/34/397549734.db2.gz WKAPJOGZNHFNPT-DGCLKSJQSA-N 2 0 260.372 2.871 10 0 CFAERP C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000400685305 287011075 /nfs/dbraw/zinc/01/10/75/287011075.db2.gz XXCSKWSWZYQURK-HBIQZDMRSA-N 2 0 264.335 2.838 10 0 CFAERP CSCCC[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128673 171015177 /nfs/dbraw/zinc/01/51/77/171015177.db2.gz KGMWHEUSLASZLP-UHFFFAOYSA-N 2 0 252.427 2.591 10 0 CFAERP COC(C)(C)C[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000020524681 171237925 /nfs/dbraw/zinc/23/79/25/171237925.db2.gz SAOTXXQGNICKFK-OAHLLOKOSA-N 2 0 270.461 2.902 10 0 CFAERP Clc1nc2ccccc2cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000020968490 171282980 /nfs/dbraw/zinc/28/29/80/171282980.db2.gz SQSURKJITWPDKY-UHFFFAOYSA-N 2 0 289.810 2.977 10 0 CFAERP C[C@@H]1CCC[N@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022151714 171358870 /nfs/dbraw/zinc/35/88/70/171358870.db2.gz ITFMOLQZMILQMF-CQSZACIVSA-N 2 0 289.423 2.596 10 0 CFAERP CCN(C1CCCCC1)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000035176737 172029784 /nfs/dbraw/zinc/02/97/84/172029784.db2.gz SZTWRGXEECNWSZ-UHFFFAOYSA-N 2 0 281.488 2.843 10 0 CFAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000037045475 172910925 /nfs/dbraw/zinc/91/09/25/172910925.db2.gz KQYDZRZSHRIMSR-CJNGLKHVSA-N 2 0 289.423 2.594 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000037220811 173038831 /nfs/dbraw/zinc/03/88/31/173038831.db2.gz KUUFTDMXIWTWEB-KGLIPLIRSA-N 2 0 261.413 2.853 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)c2cccnc2)CC1 ZINC000037220815 173039677 /nfs/dbraw/zinc/03/96/77/173039677.db2.gz KUUFTDMXIWTWEB-ZIAGYGMSSA-N 2 0 261.413 2.853 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nccn1C(F)F ZINC000037302461 173108240 /nfs/dbraw/zinc/10/82/40/173108240.db2.gz OXXLGVILXINAPK-GFCCVEGCSA-N 2 0 288.386 2.878 10 0 CFAERP CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662318121 414506332 /nfs/dbraw/zinc/50/63/32/414506332.db2.gz WJVYECKRQFLCSY-HUUCEWRRSA-N 2 0 278.444 2.803 10 0 CFAERP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000040668685 174367742 /nfs/dbraw/zinc/36/77/42/174367742.db2.gz FWTZZAXRDBVBSW-XDNAFOTISA-N 2 0 295.515 2.817 10 0 CFAERP CC(C)C[C@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693833 174378014 /nfs/dbraw/zinc/37/80/14/174378014.db2.gz SAHJXAVVISLUNG-QGZVFWFLSA-N 2 0 281.488 2.700 10 0 CFAERP CCC[N@H+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748689 174393637 /nfs/dbraw/zinc/39/36/37/174393637.db2.gz NBVXLKFXBLHZLH-SJPCQFCGSA-N 2 0 273.424 2.619 10 0 CFAERP COc1cccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749108 174393706 /nfs/dbraw/zinc/39/37/06/174393706.db2.gz VFTMONQTVUMKHB-JZIBPQBNSA-N 2 0 260.381 2.710 10 0 CFAERP COc1ccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749081 174394104 /nfs/dbraw/zinc/39/41/04/174394104.db2.gz NCPFEXPSRCJTFL-JZIBPQBNSA-N 2 0 260.381 2.710 10 0 CFAERP COc1ccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749080 174394148 /nfs/dbraw/zinc/39/41/48/174394148.db2.gz NCPFEXPSRCJTFL-PRTUASRFSA-N 2 0 260.381 2.710 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCC([NH+](C)C)CC1 ZINC000042914477 174913048 /nfs/dbraw/zinc/91/30/48/174913048.db2.gz XHXHXIGLGVUOKX-IRXDYDNUSA-N 2 0 293.430 2.630 10 0 CFAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](C(C)(C)C)CC2)c1C ZINC000043314842 175004602 /nfs/dbraw/zinc/00/46/02/175004602.db2.gz LVPXIRRWXYVJMF-KRWDZBQOSA-N 2 0 289.467 2.719 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043394511 175034720 /nfs/dbraw/zinc/03/47/20/175034720.db2.gz GCMRDZSUBVIAGW-GOSISDBHSA-N 2 0 289.467 2.719 10 0 CFAERP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428142 175041187 /nfs/dbraw/zinc/04/11/87/175041187.db2.gz RUZMEYBMIPJBAK-LSDHHAIUSA-N 2 0 254.418 2.539 10 0 CFAERP C[C@@H](Cc1ccco1)[NH2+]CCC[C@H]1CCC[NH2+]C1 ZINC000043592032 175074426 /nfs/dbraw/zinc/07/44/26/175074426.db2.gz LFBIYWZZIQUYHZ-UONOGXRCSA-N 2 0 250.386 2.580 10 0 CFAERP CCC[NH+]1CCN([C@H](CC)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805401 175107865 /nfs/dbraw/zinc/10/78/65/175107865.db2.gz LGNXVLOQEKBUNP-MSOLQXFVSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1ccc(C)c(C)c1 ZINC000043806092 175108520 /nfs/dbraw/zinc/10/85/20/175108520.db2.gz XLPKAPIHFSIPBP-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1c(C)cc(C)cc1C ZINC000043810792 175110131 /nfs/dbraw/zinc/11/01/31/175110131.db2.gz YUYAWFFMWWPEAF-KRWDZBQOSA-N 2 0 289.467 2.510 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[NH+](CCC)CCC)OCCO2 ZINC000043814865 175111753 /nfs/dbraw/zinc/11/17/53/175111753.db2.gz JDTDPGVZOGNKFJ-CVEARBPZSA-N 2 0 298.471 2.772 10 0 CFAERP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000043815255 175111853 /nfs/dbraw/zinc/11/18/53/175111853.db2.gz PNORISTVBCPOKO-QZTJIDSGSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(CC)cc1 ZINC000043818443 175112860 /nfs/dbraw/zinc/11/28/60/175112860.db2.gz FHWNQQTXIXTTQY-SFHVURJKSA-N 2 0 289.467 2.537 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897557 175120566 /nfs/dbraw/zinc/12/05/66/175120566.db2.gz UWJHBPTZEXAUOV-IAGOWNOFSA-N 2 0 283.504 2.959 10 0 CFAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970367 175131019 /nfs/dbraw/zinc/13/10/19/175131019.db2.gz KSDBZNDKJQTAQE-XHSDSOJGSA-N 2 0 270.461 2.758 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970807 175131972 /nfs/dbraw/zinc/13/19/72/175131972.db2.gz HPEFZYYGQPTYQN-IAGOWNOFSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+](CCOC)[C@@H](C)CC ZINC000043973194 175133008 /nfs/dbraw/zinc/13/30/08/175133008.db2.gz QCPXHYHLRSKHBM-KKUMJFAQSA-N 2 0 258.450 2.900 10 0 CFAERP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977847 175133687 /nfs/dbraw/zinc/13/36/87/175133687.db2.gz DHJHHMRYFIUIPU-CWRNSKLLSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+][C@H](CC)[C@@H](C)N(CC[NH+](C)C)CC(C)C ZINC000043982361 175134070 /nfs/dbraw/zinc/13/40/70/175134070.db2.gz QTUUFYWNYRGZAO-HZPDHXFCSA-N 2 0 271.493 2.673 10 0 CFAERP CC[NH2+][C@H](CN(CC[NH+](C)C)CC(C)C)C(C)(C)C ZINC000043982178 175134308 /nfs/dbraw/zinc/13/43/08/175134308.db2.gz UULZAZLPFQPIHE-OAHLLOKOSA-N 2 0 271.493 2.530 10 0 CFAERP CC[C@H]([C@@H](O)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000044169845 175148684 /nfs/dbraw/zinc/14/86/84/175148684.db2.gz ZGGAGQVFCSNBPE-MSOLQXFVSA-N 2 0 290.451 2.772 10 0 CFAERP CCC[NH+]1CCN([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000044418480 175173161 /nfs/dbraw/zinc/17/31/61/175173161.db2.gz WMMYTLQYSYTBRC-CJNGLKHVSA-N 2 0 295.858 2.756 10 0 CFAERP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000044518552 175190826 /nfs/dbraw/zinc/19/08/26/175190826.db2.gz KWASWSLLIUQLTO-MRXNPFEDSA-N 2 0 296.842 2.695 10 0 CFAERP CC[NH+]1CCC(C[NH2+]c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000044526366 175191347 /nfs/dbraw/zinc/19/13/47/175191347.db2.gz PBJAHWSKZVYWSB-UHFFFAOYSA-N 2 0 285.391 2.672 10 0 CFAERP C[N@@H+]1CCC[C@H](Cn2c(N)[nH+]c3cccc(Cl)c32)C1 ZINC000044538214 175199662 /nfs/dbraw/zinc/19/96/62/175199662.db2.gz KLVRCUXDHXSAAM-JTQLQIEISA-N 2 0 278.787 2.614 10 0 CFAERP CC(C)C[C@H]1CSC(NC[C@H]2CCCC[N@@H+]2C)=[NH+]1 ZINC000044563829 175207754 /nfs/dbraw/zinc/20/77/54/175207754.db2.gz FBTFJIXHLHOKDE-QWHCGFSZSA-N 2 0 269.458 2.578 10 0 CFAERP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044675809 175226991 /nfs/dbraw/zinc/22/69/91/175226991.db2.gz VFGCCBIYIWUBEJ-SJORKVTESA-N 2 0 252.361 2.791 10 0 CFAERP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044675811 175227172 /nfs/dbraw/zinc/22/71/72/175227172.db2.gz VFGCCBIYIWUBEJ-IAGOWNOFSA-N 2 0 252.361 2.791 10 0 CFAERP CC[NH+](CC)C[C@@H](O)CNCc1ccc(C(C)C)cc1 ZINC000045044628 175295445 /nfs/dbraw/zinc/29/54/45/175295445.db2.gz KSWAFNWAPQRTKZ-KRWDZBQOSA-N 2 0 278.440 2.602 10 0 CFAERP CC(C)C[C@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=[NH+]1 ZINC000045136121 175313332 /nfs/dbraw/zinc/31/33/32/175313332.db2.gz ORRYIGDBZDCKBB-KBPBESRZSA-N 2 0 283.485 2.824 10 0 CFAERP CC(C)C[C@@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=[NH+]1 ZINC000045136120 175313505 /nfs/dbraw/zinc/31/35/05/175313505.db2.gz ORRYIGDBZDCKBB-UONOGXRCSA-N 2 0 283.485 2.824 10 0 CFAERP CCn1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1C ZINC000045172708 175321696 /nfs/dbraw/zinc/32/16/96/175321696.db2.gz GRZOMHGGEDZMSZ-LBPRGKRZSA-N 2 0 278.444 2.512 10 0 CFAERP CCCC[N@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045370546 175364429 /nfs/dbraw/zinc/36/44/29/175364429.db2.gz HUWDCQARIAPFKC-INIZCTEOSA-N 2 0 285.476 2.521 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385334 175372071 /nfs/dbraw/zinc/37/20/71/175372071.db2.gz WOZOHHROHHQABZ-HOCLYGCPSA-N 2 0 285.476 2.521 10 0 CFAERP COC(=O)[C@](C)([NH3+])CCCC[NH+](CC(C)C)CC(C)C ZINC000045420390 175378387 /nfs/dbraw/zinc/37/83/87/175378387.db2.gz ILJAPQKAZNPUFP-MRXNPFEDSA-N 2 0 286.460 2.661 10 0 CFAERP C[C@H](CNC(=[NH2+])C1CCCCC1)C[NH+]1CCCC1 ZINC000062994094 175680161 /nfs/dbraw/zinc/68/01/61/175680161.db2.gz GSOSYGUZQCZPGZ-CYBMUJFWSA-N 2 0 251.418 2.865 10 0 CFAERP C[C@@H]1C[N@@H+](CCC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000071401593 176153802 /nfs/dbraw/zinc/15/38/02/176153802.db2.gz HNTYXJCOFNBEDC-LZWOXQAQSA-N 2 0 262.397 2.576 10 0 CFAERP [NH3+][C@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000071584851 176210031 /nfs/dbraw/zinc/21/00/31/176210031.db2.gz FZIHZPJTCSLZGN-IRXDYDNUSA-N 2 0 258.409 2.821 10 0 CFAERP COc1c(C)cc([C@H](CC[NH3+])C[NH+](C)C)c(C)c1C ZINC000076680385 177057956 /nfs/dbraw/zinc/05/79/56/177057956.db2.gz YUYSWYFODRTUPY-CQSZACIVSA-N 2 0 264.413 2.614 10 0 CFAERP COc1c(C)cc([C@@H](CC[NH3+])C[NH+](C)C)c(C)c1C ZINC000076680382 177058022 /nfs/dbraw/zinc/05/80/22/177058022.db2.gz YUYSWYFODRTUPY-AWEZNQCLSA-N 2 0 264.413 2.614 10 0 CFAERP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)[NH3+] ZINC000390686225 262240913 /nfs/dbraw/zinc/24/09/13/262240913.db2.gz YAPZCXHTYXLPFD-RLHTVVPMSA-N 2 0 287.451 2.507 10 0 CFAERP C[C@@H]([NH2+]CCCCOCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521423700 262326206 /nfs/dbraw/zinc/32/62/06/262326206.db2.gz HNAVNVZLKWUCDX-SJLPKXTDSA-N 2 0 290.451 2.961 10 0 CFAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCCCO1 ZINC000262023953 278277824 /nfs/dbraw/zinc/27/78/24/278277824.db2.gz YWTFGHZLDFZACL-SRMUXQRQSA-N 2 0 260.381 2.678 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c1Cl ZINC000261549278 279164884 /nfs/dbraw/zinc/16/48/84/279164884.db2.gz KHXDSHFEMGZPCS-GXSJLCMTSA-N 2 0 253.777 2.607 10 0 CFAERP Cc1cc(F)ccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000560966643 282044526 /nfs/dbraw/zinc/04/45/26/282044526.db2.gz CLWMFGYZAIJRLQ-DZGCQCFKSA-N 2 0 264.388 2.654 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCSc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400395370 290023752 /nfs/dbraw/zinc/02/37/52/290023752.db2.gz JHOACQRSLRFAKI-SGMGOOAPSA-N 2 0 262.422 2.811 10 0 CFAERP C[C@@H]([NH2+]CCSc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089553 290347195 /nfs/dbraw/zinc/34/71/95/290347195.db2.gz OIPCLWDMJPSJDQ-KGLIPLIRSA-N 2 0 264.438 2.756 10 0 CFAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089149288 295273578 /nfs/dbraw/zinc/27/35/78/295273578.db2.gz LKZRJHMUQJMRHK-HBIQZDMRSA-N 2 0 264.335 2.825 10 0 CFAERP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CC2CCC1CC2 ZINC000382070316 324425124 /nfs/dbraw/zinc/42/51/24/324425124.db2.gz GZVHYEDOEUCFIQ-UHEATSNUSA-N 2 0 250.430 2.790 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CC(C)(C)C)O1 ZINC000052570187 519725846 /nfs/dbraw/zinc/72/58/46/519725846.db2.gz VBDWELGMNCYRHL-ZIAGYGMSSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@H](O)C2)CCCCC1 ZINC000051257160 519742952 /nfs/dbraw/zinc/74/29/52/519742952.db2.gz QTJOQJXEKGBMND-INIZCTEOSA-N 2 0 282.472 2.639 10 0 CFAERP CC(C)C[NH2+]C[C@@H](C(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503252 519744442 /nfs/dbraw/zinc/74/44/42/519744442.db2.gz DFSFUCONDBNWES-KRWDZBQOSA-N 2 0 285.520 2.776 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000052180796 519910320 /nfs/dbraw/zinc/91/03/20/519910320.db2.gz UDSMTIOBVKMSDG-OAHLLOKOSA-N 2 0 268.445 2.515 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)[C@@H](C)CC)O1 ZINC000052451470 519923815 /nfs/dbraw/zinc/92/38/15/519923815.db2.gz VWKWJIQBBCBVFE-KKUMJFAQSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2CC)O1 ZINC000052447825 519926620 /nfs/dbraw/zinc/92/66/20/519926620.db2.gz RKOQWUZRMOQHOE-HRCADAONSA-N 2 0 268.445 2.798 10 0 CFAERP CCC[NH2+]Cc1cc(C[N@H+](CC)[C@H](C)CC)on1 ZINC000052451147 519946114 /nfs/dbraw/zinc/94/61/14/519946114.db2.gz LVUQZFDCQVKKQL-GFCCVEGCSA-N 2 0 253.390 2.795 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+](CC(C)C)CC(C)C)O1 ZINC000052485032 519953594 /nfs/dbraw/zinc/95/35/94/519953594.db2.gz VCWTZFCFBDTMJK-JKSUJKDBSA-N 2 0 270.461 2.758 10 0 CFAERP CC[NH2+]Cc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000052453542 519995075 /nfs/dbraw/zinc/99/50/75/519995075.db2.gz BBQZWUFHDXNPEK-OAHLLOKOSA-N 2 0 264.438 2.733 10 0 CFAERP CCC[NH2+][C@H](C)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643372 520061225 /nfs/dbraw/zinc/06/12/25/520061225.db2.gz ZYXYBNKLQVAQAU-HZPDHXFCSA-N 2 0 269.477 2.571 10 0 CFAERP CCCC[N@H+](C)CC1(C[NH2+]CCC)CCOCC1 ZINC000052180918 520398104 /nfs/dbraw/zinc/39/81/04/520398104.db2.gz PQKKEHCPTXBDFX-UHFFFAOYSA-N 2 0 256.434 2.515 10 0 CFAERP CCS[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000233985442 521725594 /nfs/dbraw/zinc/72/55/94/521725594.db2.gz YSHOAHUACUNIFG-UONOGXRCSA-N 2 0 256.459 2.736 10 0 CFAERP CCC[NH+]1CCN(CC2(C[NH2+]CC(C)C)CCCC2)CC1 ZINC000051207424 517582541 /nfs/dbraw/zinc/58/25/41/517582541.db2.gz UWGMGFFWNAKRRG-UHFFFAOYSA-N 2 0 295.515 2.820 10 0 CFAERP C(C[C@H]1CCCC[NH2+]1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000050953003 518396951 /nfs/dbraw/zinc/39/69/51/518396951.db2.gz VXRFGKMQKVSBBH-QGZVFWFLSA-N 3 0 293.499 2.859 10 0 CFAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374534 518760316 /nfs/dbraw/zinc/76/03/16/518760316.db2.gz ASYCGYIFJAEJLV-IRXDYDNUSA-N 2 0 288.435 2.938 10 0 CFAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382066 518762443 /nfs/dbraw/zinc/76/24/43/518762443.db2.gz ZOGLEFAAMFWQKS-HUUCEWRRSA-N 2 0 268.445 2.798 10 0 CFAERP CC(C)(c1ccc(F)cc1)[C@H]([NH3+])Cc1c[nH+]ccc1N ZINC000069396736 519379400 /nfs/dbraw/zinc/37/94/00/519379400.db2.gz XJNWUJGGZATREC-OAHLLOKOSA-N 2 0 273.355 2.651 10 0 CFAERP CC(C)[N@H+](Cc1ccccc1)CC1(C[NH3+])CCOCC1 ZINC000052180944 519658348 /nfs/dbraw/zinc/65/83/48/519658348.db2.gz OODGGYKGCUBGHH-UHFFFAOYSA-N 2 0 276.424 2.653 10 0 CFAERP CC(C)[N@H+](Cc1cccs1)CC1(C[NH3+])CCOCC1 ZINC000052183353 519661905 /nfs/dbraw/zinc/66/19/05/519661905.db2.gz NSKZOKXDHMUFEO-UHFFFAOYSA-N 2 0 282.453 2.714 10 0 CFAERP CC(C)CCOCC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000049265498 519668967 /nfs/dbraw/zinc/66/89/67/519668967.db2.gz YSHLRMBZPLJBOM-MRXNPFEDSA-N 2 0 270.461 2.903 10 0 CFAERP CC(C)C[N@H+](CCCCC[NH2+]C(C)C)CCN(C)C ZINC000052503379 519715301 /nfs/dbraw/zinc/71/53/01/519715301.db2.gz NUXSHDWCAJONOT-UHFFFAOYSA-N 2 0 271.493 2.674 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823147 519723514 /nfs/dbraw/zinc/72/35/14/519723514.db2.gz XIISSAUPCJAFBB-GJZGRUSLSA-N 2 0 268.445 2.654 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000053011845 519725375 /nfs/dbraw/zinc/72/53/75/519725375.db2.gz QUTPBLAFTJHQKY-OAHLLOKOSA-N 2 0 264.388 2.688 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1C[NH+]1CCSCC1 ZINC000052443310 519727726 /nfs/dbraw/zinc/72/77/26/519727726.db2.gz QQCYVQOIQNCYOQ-UHFFFAOYSA-N 2 0 264.438 2.733 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000053011827 519745045 /nfs/dbraw/zinc/74/50/45/519745045.db2.gz NCBLWPDCGQXWDD-INIZCTEOSA-N 2 0 278.415 2.936 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374543 519746452 /nfs/dbraw/zinc/74/64/52/519746452.db2.gz QFZOODDRJDNPFM-MSOLQXFVSA-N 2 0 288.435 2.795 10 0 CFAERP CC(C)C[NH2+]Cc1ccoc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453181 519747911 /nfs/dbraw/zinc/74/79/11/519747911.db2.gz LZFIISCDIWEHEU-AWEZNQCLSA-N 2 0 282.453 2.963 10 0 CFAERP CC(C)c1ccc([C@H](O)C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045697690 519840210 /nfs/dbraw/zinc/84/02/10/519840210.db2.gz OMMLMAAIHQOKBQ-QGZVFWFLSA-N 2 0 278.440 2.775 10 0 CFAERP CCC1CCC(C[NH3+])(N(CC)CC[NH+](CC)CC)CC1 ZINC000050089732 519850820 /nfs/dbraw/zinc/85/08/20/519850820.db2.gz JRAGMSRTLPZPQS-UHFFFAOYSA-N 2 0 283.504 2.948 10 0 CFAERP CCC[NH+]1CCN([C@@H](C[NH2+]C(C)C)c2ccccc2)CC1 ZINC000052422103 519859503 /nfs/dbraw/zinc/85/95/03/519859503.db2.gz IVLKKXWQLDWTGM-SFHVURJKSA-N 2 0 289.467 2.753 10 0 CFAERP CCCC1CC[NH+](CCCC[C@@](C)([NH2+]CC)C(N)=O)CC1 ZINC000050905940 519900793 /nfs/dbraw/zinc/90/07/93/519900793.db2.gz AHDTUXWBQANSOO-QGZVFWFLSA-N 2 0 297.487 2.522 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CC)CC(C)C)CCOCC1 ZINC000052181222 519910021 /nfs/dbraw/zinc/91/00/21/519910021.db2.gz DVFUKQHGKXRZDT-UHFFFAOYSA-N 2 0 270.461 2.761 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)Cc2ccccc2C)CCOCC1 ZINC000052183538 519912232 /nfs/dbraw/zinc/91/22/32/519912232.db2.gz CBEFRTNUDSXAFZ-UHFFFAOYSA-N 2 0 290.451 2.833 10 0 CFAERP CCC[NH2+]CCCC[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541528 519912539 /nfs/dbraw/zinc/91/25/39/519912539.db2.gz BVEUXDGRPVCROX-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182065 519912546 /nfs/dbraw/zinc/91/25/46/519912546.db2.gz FEGLKFPGPDFSTB-CABCVRRESA-N 2 0 268.445 2.513 10 0 CFAERP CCC[NH2+]Cc1ccccc1OCC[NH+]1CCSCC1 ZINC000052425582 519955805 /nfs/dbraw/zinc/95/58/05/519955805.db2.gz KUFONLYYASJJKZ-UHFFFAOYSA-N 2 0 294.464 2.614 10 0 CFAERP CCC[NH2+]Cc1ccccc1C[NH+]1CCC(OC)CC1 ZINC000052455470 519955845 /nfs/dbraw/zinc/95/58/45/519955845.db2.gz UORRQTOCMBJTCL-UHFFFAOYSA-N 2 0 276.424 2.797 10 0 CFAERP CC[NH2+]Cc1cc(C[NH+]2CCC(C)CC2)oc1C ZINC000052376947 519988832 /nfs/dbraw/zinc/98/88/32/519988832.db2.gz WBBCUXLAMVBNKS-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP CC[NH2+]Cc1nc(C[N@@H+]2CCC[C@H]2CC)cs1 ZINC000052374761 520020320 /nfs/dbraw/zinc/02/03/20/520020320.db2.gz SKTOKSHLAXLYQA-GFCCVEGCSA-N 2 0 253.415 2.627 10 0 CFAERP CCCCC[N@H+](CC1(C[NH3+])CCOCC1)C(C)C ZINC000052183273 520160525 /nfs/dbraw/zinc/16/05/25/520160525.db2.gz CJDIRTBVXDVRLU-UHFFFAOYSA-N 2 0 256.434 2.643 10 0 CFAERP CCOCc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000049332515 520213445 /nfs/dbraw/zinc/21/34/45/520213445.db2.gz ODLSKJVHCDANQV-UHFFFAOYSA-N 2 0 276.424 2.799 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCOCC(F)(F)F ZINC000049310854 520631389 /nfs/dbraw/zinc/63/13/89/520631389.db2.gz RXMMSPQYSLNODL-GFCCVEGCSA-N 2 0 284.366 2.665 10 0 CFAERP CC[NH+](CC)CCOc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799385 520698802 /nfs/dbraw/zinc/69/88/02/520698802.db2.gz RAOGLVKNSIFKMY-OAHLLOKOSA-N 2 0 262.397 2.614 10 0 CFAERP CCOc1cccc(C[NH2+]C)c1OCCC[NH+]1CCCC1 ZINC000049331867 521360347 /nfs/dbraw/zinc/36/03/47/521360347.db2.gz PWFBDQQFPWJNBK-UHFFFAOYSA-N 2 0 292.423 2.669 10 0 CFAERP CCCc1ccc([C@@H]([NH3+])CN(CCC)CC[NH+](C)C)cc1 ZINC000045687463 521414598 /nfs/dbraw/zinc/41/45/98/521414598.db2.gz FWTLHYCEBDIECQ-SFHVURJKSA-N 2 0 291.483 2.913 10 0 CFAERP CCC(CC)C[N@H+](CC)CC1(C[NH2+]C)CCOCC1 ZINC000052182940 521520428 /nfs/dbraw/zinc/52/04/28/521520428.db2.gz WWKJMMRMQAQWJO-UHFFFAOYSA-N 2 0 270.461 2.761 10 0 CFAERP CCC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C(C)C ZINC000052181411 521618918 /nfs/dbraw/zinc/61/89/18/521618918.db2.gz JMSASZOXIHCVPS-UHFFFAOYSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[NH+](CCC)C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052416860 521648373 /nfs/dbraw/zinc/64/83/73/521648373.db2.gz KVHBUVSCYPGENS-GJZGRUSLSA-N 2 0 256.434 2.654 10 0 CFAERP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(C)c2Cl)C1 ZINC000310356456 521650035 /nfs/dbraw/zinc/65/00/35/521650035.db2.gz IJGWQAPWYGYQEE-NSHDSACASA-N 2 0 253.777 2.940 10 0 CFAERP CCC[N@H+](CCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049311736 521668897 /nfs/dbraw/zinc/66/88/97/521668897.db2.gz AQEZPGSVLUDSQW-FUNVUKJBSA-N 2 0 294.361 2.560 10 0 CFAERP CCC[N@H+](Cc1cc(C[NH3+])ccc1OC)C(C)C ZINC000050124612 521681460 /nfs/dbraw/zinc/68/14/60/521681460.db2.gz QJUOINUYOXGXPI-UHFFFAOYSA-N 2 0 250.386 2.774 10 0 CFAERP CC[C@@H](C)C[N@H+](C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052454092 521970604 /nfs/dbraw/zinc/97/06/04/521970604.db2.gz OZVKRMKNQWUQFA-GFCCVEGCSA-N 2 0 253.390 2.651 10 0 CFAERP CC[C@@H](C[NH2+]C1CC1)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416946 522546081 /nfs/dbraw/zinc/54/60/81/522546081.db2.gz YZGDHZZTPZMEHV-ZWKOTPCHSA-N 2 0 287.451 2.506 10 0 CFAERP COC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052511474 522592928 /nfs/dbraw/zinc/59/29/28/522592928.db2.gz XZQKMTUUGJQHMO-LBPRGKRZSA-N 2 0 268.401 2.553 10 0 CFAERP COC1CC[NH+](Cc2ccccc2C[NH2+]C(C)C)CC1 ZINC000052455471 522704896 /nfs/dbraw/zinc/70/48/96/522704896.db2.gz SQCYGWVYFZFBDM-UHFFFAOYSA-N 2 0 276.424 2.795 10 0 CFAERP CN(Cc1ccoc1C[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419941 523478541 /nfs/dbraw/zinc/47/85/41/523478541.db2.gz CAEKQFOPHWTKEJ-UHFFFAOYSA-N 2 0 293.455 2.694 10 0 CFAERP COCC[N@H+](CC(C)C)[C@H](C)CCC[NH2+]C1CC1 ZINC000052508646 523682214 /nfs/dbraw/zinc/68/22/14/523682214.db2.gz VYUVVGMXERZFBK-CQSZACIVSA-N 2 0 256.434 2.512 10 0 CFAERP COCC[N@H+](CCC[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000050953597 523697033 /nfs/dbraw/zinc/69/70/33/523697033.db2.gz DYTVPYQRNUXMRA-HNNXBMFYSA-N 2 0 256.434 2.513 10 0 CFAERP CC[C@H](C)[N@H+](CC)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052451476 523934574 /nfs/dbraw/zinc/93/45/74/523934574.db2.gz KHCGJCAMAPGAQT-ZNMIVQPWSA-N 2 0 256.434 2.652 10 0 CFAERP CC[C@H](C)[N@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181385 523934414 /nfs/dbraw/zinc/93/44/14/523934414.db2.gz BCDGJZVWMATTNH-HNNXBMFYSA-N 2 0 270.461 2.902 10 0 CFAERP C[NH+](C)C1CCN(c2ccc(C[NH2+]C(C)(C)C)cn2)CC1 ZINC000051444825 524040766 /nfs/dbraw/zinc/04/07/66/524040766.db2.gz OEJRILGVTZMGGP-UHFFFAOYSA-N 2 0 290.455 2.500 10 0 CFAERP C[C@H]1CCC[C@@](CNCCC[NH+]2CCCC2)([NH+](C)C)C1 ZINC000049332640 524170271 /nfs/dbraw/zinc/17/02/71/524170271.db2.gz MNMHDUBUNPFRFQ-DLBZAZTESA-N 2 0 281.488 2.572 10 0 CFAERP C[C@H]1CCC[C@](CNCC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000052205807 524223638 /nfs/dbraw/zinc/22/36/38/524223638.db2.gz AWDWVTMSBAZWDL-BZSNNMDCSA-N 2 0 295.515 2.961 10 0 CFAERP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](C)CCc1ccncc1 ZINC000052483065 524477719 /nfs/dbraw/zinc/47/77/19/524477719.db2.gz SNTOALVKHIHNOC-CQSZACIVSA-N 2 0 263.429 2.580 10 0 CFAERP Cc1cccc(N2CC[NH+](CCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000052764235 524556147 /nfs/dbraw/zinc/55/61/47/524556147.db2.gz JIFXWIGTNMGTIY-QGZVFWFLSA-N 2 0 287.451 2.649 10 0 CFAERP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049156030 524763226 /nfs/dbraw/zinc/76/32/26/524763226.db2.gz DTUVGODIKOGNJM-UMVBOHGHSA-N 2 0 266.454 2.999 10 0 CFAERP Cc1ccc(OCCC[NH+]2CCCC2)c([C@H](C)[NH3+])c1 ZINC000049331978 525411363 /nfs/dbraw/zinc/41/13/63/525411363.db2.gz YGEIRVPFJDLQQX-AWEZNQCLSA-N 2 0 262.397 2.879 10 0 CFAERP COc1cccc(C[N@H+](C)[C@@H](C)CC[NH2+]C(C)C)c1 ZINC000052372976 525918203 /nfs/dbraw/zinc/91/82/03/525918203.db2.gz VBWNURQBNXRJID-AWEZNQCLSA-N 2 0 264.413 2.904 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2[C@H](C)C[NH+]1CCCC1 ZINC000049185008 526220401 /nfs/dbraw/zinc/22/04/01/526220401.db2.gz RDCRLSSGMDCDBE-GFCCVEGCSA-N 2 0 258.369 2.584 10 0 CFAERP [NH3+]C1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000055144422 527140299 /nfs/dbraw/zinc/14/02/99/527140299.db2.gz CNPCRAYPFIYFJJ-KPPDAEKUSA-N 2 0 250.308 2.531 10 0 CFAERP [NH3+]Cc1nc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cs1 ZINC000052373091 527264974 /nfs/dbraw/zinc/26/49/74/527264974.db2.gz PTZWXUDVXBARRT-ZDUSSCGKSA-N 2 0 273.405 2.591 10 0 CFAERP Cc1[nH+]ccc(NCC[C@H]2CCC[NH2+]C2)c1Cl ZINC000261547696 618100494 /nfs/dbraw/zinc/10/04/94/618100494.db2.gz IOINJYDOWLXXMN-LLVKDONJSA-N 2 0 253.777 2.845 10 0 CFAERP C[C@]1(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697417 618285440 /nfs/dbraw/zinc/28/54/40/618285440.db2.gz CAEUMVPNBPGADH-KURKYZTESA-N 2 0 288.435 2.574 10 0 CFAERP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261772132 618426667 /nfs/dbraw/zinc/42/66/67/618426667.db2.gz DSWLINRWIQFNBT-SJORKVTESA-N 2 0 287.451 2.587 10 0 CFAERP CC(C)[C@H](C[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC000020200607 618801084 /nfs/dbraw/zinc/80/10/84/618801084.db2.gz LSEALLODVVFTHE-KRWDZBQOSA-N 2 0 260.425 2.939 10 0 CFAERP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2[nH+]1 ZINC000156377605 622936092 /nfs/dbraw/zinc/93/60/92/622936092.db2.gz YWKRUSIDFQAZRT-KGLIPLIRSA-N 2 0 267.376 2.874 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089148561 650829124 /nfs/dbraw/zinc/82/91/24/650829124.db2.gz ZLBZHHJFQBMECB-GUTXKFCHSA-N 2 0 262.397 2.782 10 0 CFAERP Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000127302632 644008195 /nfs/dbraw/zinc/00/81/95/644008195.db2.gz OIVZADUVSWJLAU-CHWSQXEVSA-N 2 0 255.365 2.717 10 0 CFAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000250854412 650980859 /nfs/dbraw/zinc/98/08/59/650980859.db2.gz OOCKYVGIIUAGEP-QEJZJMRPSA-N 2 0 260.381 2.617 10 0 CFAERP CCC[NH2+]Cc1cccc(OCCC[NH+](C)C)c1 ZINC000083383752 178387481 /nfs/dbraw/zinc/38/74/81/178387481.db2.gz VNMISUSRXRLHFT-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188397745 539509079 /nfs/dbraw/zinc/50/90/79/539509079.db2.gz MFQNPXIHBSZAKB-OAHLLOKOSA-N 2 0 271.364 2.556 10 0 CFAERP CCCC1CC[NH+](CCCC[C@](C)(CO)[NH2+]C)CC1 ZINC000085210939 178973269 /nfs/dbraw/zinc/97/32/69/178973269.db2.gz MAWLXISHZANJTB-MRXNPFEDSA-N 2 0 270.461 2.639 10 0 CFAERP CC[NH2+][C@@](C)(CO)CCC[N@H+](C)C1CCC(C)CC1 ZINC000085243792 178988074 /nfs/dbraw/zinc/98/80/74/178988074.db2.gz DSUHIPZDUDKFNY-UYSNPLJNSA-N 2 0 270.461 2.638 10 0 CFAERP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034234263 346315531 /nfs/dbraw/zinc/31/55/31/346315531.db2.gz KAXQIIGCHQPXCF-ROUUACIJSA-N 2 0 266.388 2.861 10 0 CFAERP [NH3+][C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)[NH2+]C1 ZINC000038294931 346337539 /nfs/dbraw/zinc/33/75/39/346337539.db2.gz KPNXZZXQPSJJQN-IRXDYDNUSA-N 2 0 266.388 2.898 10 0 CFAERP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000086817388 179344484 /nfs/dbraw/zinc/34/44/84/179344484.db2.gz MAJPOLOTHHIASP-IUODEOHRSA-N 2 0 250.361 2.961 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000086817239 179345237 /nfs/dbraw/zinc/34/52/37/179345237.db2.gz LRWUAQVOFALFPT-HNNXBMFYSA-N 2 0 266.816 2.956 10 0 CFAERP COc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818651 179347139 /nfs/dbraw/zinc/34/71/39/179347139.db2.gz RMUKWALHHZYZHG-ZFWWWQNUSA-N 2 0 262.397 2.830 10 0 CFAERP CCC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086836812 179351985 /nfs/dbraw/zinc/35/19/85/179351985.db2.gz ZRFBYNXUVDQGKN-MRXNPFEDSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCC[C@@H]2C)CC1 ZINC000086848914 179357721 /nfs/dbraw/zinc/35/77/21/179357721.db2.gz XVGSDEOQKHWEBV-DLBZAZTESA-N 2 0 281.488 2.844 10 0 CFAERP N[C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1c1ccccc1CC2 ZINC000225918410 348180448 /nfs/dbraw/zinc/18/04/48/348180448.db2.gz QGTKUBTUMAIBIK-MOPGFXCFSA-N 2 0 278.399 2.930 10 0 CFAERP COc1ccc(C[NH2+][C@@H]2CCCC23CC[NH2+]CC3)cc1 ZINC000584640438 348699610 /nfs/dbraw/zinc/69/96/10/348699610.db2.gz HGVSFBBEOBUTOZ-MRXNPFEDSA-N 2 0 274.408 2.707 10 0 CFAERP [NH3+]C1(Cc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000090587460 180009587 /nfs/dbraw/zinc/00/95/87/180009587.db2.gz HLABTTGWKSTTQC-UHFFFAOYSA-N 2 0 259.180 2.617 10 0 CFAERP Cc1ncsc1C[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000104444492 186003789 /nfs/dbraw/zinc/00/37/89/186003789.db2.gz XBNCUAPIEIHIOR-UHFFFAOYSA-N 2 0 261.394 2.542 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](CCC2CCC2)C[C@H]1c1ccccc1 ZINC000398930934 539765876 /nfs/dbraw/zinc/76/58/76/539765876.db2.gz QYKFJHHCFCGKMF-SJORKVTESA-N 2 0 258.409 2.851 10 0 CFAERP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839430 355601894 /nfs/dbraw/zinc/60/18/94/355601894.db2.gz GGTBHWBVUCSIOJ-DOMZBBRYSA-N 2 0 269.392 2.570 10 0 CFAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840525 355603135 /nfs/dbraw/zinc/60/31/35/355603135.db2.gz SYTUZBMIRYQPOU-OSAQELSMSA-N 2 0 250.361 2.803 10 0 CFAERP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000381724168 540699409 /nfs/dbraw/zinc/69/94/09/540699409.db2.gz RXOAPRDPXCTEMP-IHRRRGAJSA-N 2 0 272.383 2.873 10 0 CFAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000423100963 238200044 /nfs/dbraw/zinc/20/00/44/238200044.db2.gz NDWSCWSZXZGNGH-RNGXCGTMSA-N 2 0 280.456 2.700 10 0 CFAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000422799603 299394369 /nfs/dbraw/zinc/39/43/69/299394369.db2.gz XQNWFFDBWKLIIN-ARKGTOAJSA-N 2 0 250.430 2.933 10 0 CFAERP C[C@H]1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C[NH3+] ZINC000163939594 378997349 /nfs/dbraw/zinc/99/73/49/378997349.db2.gz PZATYLQAHPERHS-STQMWFEESA-N 2 0 255.365 2.656 10 0 CFAERP Clc1sccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335653660 379668553 /nfs/dbraw/zinc/66/85/53/379668553.db2.gz DAIVHKXSNPHVOS-ZACCUICWSA-N 2 0 256.802 2.774 10 0 CFAERP CC[C@@H](C[NH2+]C1CCC([NH3+])CC1)CC(F)(F)F ZINC000402601048 380888840 /nfs/dbraw/zinc/88/88/40/380888840.db2.gz NPWYRWFRGSOWSQ-KPPDAEKUSA-N 2 0 252.324 2.825 10 0 CFAERP Cc1cccc2c(NC[C@@H]3CN(C)CCO3)c(C)c[nH+]c12 ZINC000185284972 381586239 /nfs/dbraw/zinc/58/62/39/381586239.db2.gz WLFJWYIIECEVTK-CQSZACIVSA-N 2 0 285.391 2.594 10 0 CFAERP C[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@H]1CCC[NH2+]CC1 ZINC000300281000 382059354 /nfs/dbraw/zinc/05/93/54/382059354.db2.gz YOKDBQMJUITVJA-LSDHHAIUSA-N 2 0 266.429 2.552 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)NC1=[NH+]CCCS1 ZINC000020586394 184535927 /nfs/dbraw/zinc/53/59/27/184535927.db2.gz IGQUDDAVPYUWSS-LBPRGKRZSA-N 2 0 257.447 2.579 10 0 CFAERP C[C@@H](C[NH2+]Cc1ccnc2ccccc12)C[NH+](C)C ZINC000388787726 382609270 /nfs/dbraw/zinc/60/92/70/382609270.db2.gz RJBYWKAGCCGVBL-ZDUSSCGKSA-N 2 0 257.381 2.522 10 0 CFAERP Cc1nccn1C[C@H]1CCCN1c1nc2ccccc2n1C ZINC000192739815 382711621 /nfs/dbraw/zinc/71/16/21/382711621.db2.gz QBXQKZBJKHCUBJ-CQSZACIVSA-N 2 0 295.390 2.747 10 0 CFAERP [NH3+]CCC[C@@H]([NH3+])c1cc(Br)ccc1Cl ZINC000575439393 382771362 /nfs/dbraw/zinc/77/13/62/382771362.db2.gz IMZSNPGOESCFDQ-SNVBAGLBSA-N 2 0 277.593 2.841 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(F)c1Br ZINC000575439418 382771390 /nfs/dbraw/zinc/77/13/90/382771390.db2.gz JSKAMMRTRHQTRX-SNVBAGLBSA-N 2 0 275.165 2.717 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000575440432 382771726 /nfs/dbraw/zinc/77/17/26/382771726.db2.gz VDSCCVZPOPXDSE-NSHDSACASA-N 2 0 275.165 2.717 10 0 CFAERP COc1cc(Br)ccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440364 382771820 /nfs/dbraw/zinc/77/18/20/382771820.db2.gz QBDLWWBRBYTYOB-NSHDSACASA-N 2 0 287.201 2.587 10 0 CFAERP [NH3+]CCCCCC[NH+](Cc1ccccn1)Cc1ccccn1 ZINC000200175224 382772408 /nfs/dbraw/zinc/77/24/08/382772408.db2.gz DBMKSJGEJNYVIR-UHFFFAOYSA-N 2 0 298.434 2.998 10 0 CFAERP CN(Cc1cc(Cl)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000231456720 382865095 /nfs/dbraw/zinc/86/50/95/382865095.db2.gz AEEUQEQKGFNDDD-OAHLLOKOSA-N 2 0 294.826 2.849 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067052 383139066 /nfs/dbraw/zinc/13/90/66/383139066.db2.gz IJLGXYBFSXVCNN-NXHRZFHOSA-N 2 0 288.435 2.808 10 0 CFAERP CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000249413351 383344617 /nfs/dbraw/zinc/34/46/17/383344617.db2.gz VUMNEGCRAFZASS-BBWFWOEESA-N 2 0 282.472 2.734 10 0 CFAERP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250848277 383381298 /nfs/dbraw/zinc/38/12/98/383381298.db2.gz KIVWWUVGGLYXMP-VYDXJSESSA-N 2 0 256.393 2.890 10 0 CFAERP Cc1[nH+]ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000261555320 383510256 /nfs/dbraw/zinc/51/02/56/383510256.db2.gz BIMZBUGNFSDABU-QJPTWQEYSA-N 2 0 265.788 2.607 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]12 ZINC000261555846 383511913 /nfs/dbraw/zinc/51/19/13/383511913.db2.gz QCUQLSRHUOTVHG-MPKXVKKWSA-N 2 0 250.773 2.509 10 0 CFAERP Cc1ncsc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604993 383526619 /nfs/dbraw/zinc/52/66/19/383526619.db2.gz AYJXMFYOBVJVFW-CABCVRRESA-N 2 0 287.432 2.626 10 0 CFAERP CC1(C)Cc2cccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2O1 ZINC000261632864 383532912 /nfs/dbraw/zinc/53/29/12/383532912.db2.gz HSKIFPYNKNHKAW-IMJJTQAJSA-N 2 0 286.419 2.569 10 0 CFAERP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261643826 383535677 /nfs/dbraw/zinc/53/56/77/383535677.db2.gz DWZVHEBXHQUMDL-MJGOQNOKSA-N 2 0 296.414 2.870 10 0 CFAERP CCN(C)c1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cn1 ZINC000262050306 383599189 /nfs/dbraw/zinc/59/91/89/383599189.db2.gz ZOCDRSDRHUVQEO-INIZCTEOSA-N 2 0 290.455 2.502 10 0 CFAERP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262050286 383599357 /nfs/dbraw/zinc/59/93/57/383599357.db2.gz ZNTHOUOTADAWTR-BFYDXBDKSA-N 2 0 273.424 2.682 10 0 CFAERP C[C@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1[NH3+] ZINC000262104865 383604837 /nfs/dbraw/zinc/60/48/37/383604837.db2.gz VWAZSUDQOLPXQW-NHYWBVRUSA-N 2 0 274.339 2.865 10 0 CFAERP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261776373 383558065 /nfs/dbraw/zinc/55/80/65/383558065.db2.gz PEZIXARNVRFDPK-UAGQMJEPSA-N 2 0 274.408 2.643 10 0 CFAERP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261778375 383558123 /nfs/dbraw/zinc/55/81/23/383558123.db2.gz PEZIXARNVRFDPK-XIRDDKMYSA-N 2 0 274.408 2.643 10 0 CFAERP C[C@H]([NH2+]CC(C)(C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643460672 384641858 /nfs/dbraw/zinc/64/18/58/384641858.db2.gz AXEXCSTWAPAPPC-LSDHHAIUSA-N 2 0 260.425 2.942 10 0 CFAERP C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643481421 384657357 /nfs/dbraw/zinc/65/73/57/384657357.db2.gz IAIHRNBWKRAPSS-DVHLICQRSA-N 2 0 288.435 2.712 10 0 CFAERP C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643481424 384657667 /nfs/dbraw/zinc/65/76/67/384657667.db2.gz IAIHRNBWKRAPSS-WSDZMALLSA-N 2 0 288.435 2.712 10 0 CFAERP C[N@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000381588741 393564425 /nfs/dbraw/zinc/56/44/25/393564425.db2.gz DBOJSESHJYLWEM-QWHCGFSZSA-N 2 0 260.372 2.886 10 0 CFAERP [NH3+]CCC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000381695032 393565967 /nfs/dbraw/zinc/56/59/67/393565967.db2.gz OAASMGVSTQPMMH-ZDUSSCGKSA-N 2 0 260.372 2.873 10 0 CFAERP CC[C@H]1CN(c2cc[nH+]c(C)c2Cl)CC[C@H]1[NH3+] ZINC000383585477 393574231 /nfs/dbraw/zinc/57/42/31/393574231.db2.gz MTJZKZSJPJWSDO-WDEREUQCSA-N 2 0 253.777 2.607 10 0 CFAERP C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246407002 393866065 /nfs/dbraw/zinc/86/60/65/393866065.db2.gz RHWXDSMMESCZAV-RDJZCZTQSA-N 2 0 260.425 2.891 10 0 CFAERP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261940809 393951221 /nfs/dbraw/zinc/95/12/21/393951221.db2.gz MRQGKWSLTZGWGZ-UTUOFQBUSA-N 2 0 264.335 2.649 10 0 CFAERP CCC(CC)(CC)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000391195215 543106506 /nfs/dbraw/zinc/10/65/06/543106506.db2.gz VUKDJQDSHZYFEH-HNNXBMFYSA-N 2 0 270.461 2.639 10 0 CFAERP CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128351 171014638 /nfs/dbraw/zinc/01/46/38/171014638.db2.gz MRMPTFGZKCWEEH-KSZLIROESA-N 2 0 295.515 2.674 10 0 CFAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000020128338 171014814 /nfs/dbraw/zinc/01/48/14/171014814.db2.gz QFSGRQMINJWKSV-IRXDYDNUSA-N 2 0 295.515 2.818 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000020365674 171164344 /nfs/dbraw/zinc/16/43/44/171164344.db2.gz SJMLIIVPCOMSTD-CVEARBPZSA-N 2 0 299.503 2.637 10 0 CFAERP Cc1ccc(OC[C@@H](CC[NH3+])[NH+]2CCCCC2)cc1 ZINC000020402224 171182640 /nfs/dbraw/zinc/18/26/40/171182640.db2.gz LSEMHAKUCQDERV-OAHLLOKOSA-N 2 0 262.397 2.577 10 0 CFAERP C[C@H]1CCC[N@H+](CCCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022156195 171362715 /nfs/dbraw/zinc/36/27/15/171362715.db2.gz GGONSDHSHMDWNR-AWEZNQCLSA-N 2 0 289.423 2.596 10 0 CFAERP CCC[NH+]1CCN([C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000022563293 171391007 /nfs/dbraw/zinc/39/10/07/171391007.db2.gz VDRJNYKIIWLHBB-ZWKOTPCHSA-N 2 0 289.467 2.739 10 0 CFAERP CCC[NH+]1CCN([C@H](C(C)C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000022563302 171391281 /nfs/dbraw/zinc/39/12/81/171391281.db2.gz VDRJNYKIIWLHBB-QZTJIDSGSA-N 2 0 289.467 2.739 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000035151098 172014449 /nfs/dbraw/zinc/01/44/49/172014449.db2.gz DICNHUMUPPORJP-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CC[C@@H]1CSC(NCC[NH+](C(C)C)C(C)C)=[NH+]1 ZINC000035294336 172105874 /nfs/dbraw/zinc/10/58/74/172105874.db2.gz UHEZCTJGECCSRY-GFCCVEGCSA-N 2 0 257.447 2.576 10 0 CFAERP CC[NH2+][C@H](C)c1cc(C)ccc1OCC[NH+](C)C ZINC000035629775 172310916 /nfs/dbraw/zinc/31/09/16/172310916.db2.gz RUZCBFPMZJSELE-CYBMUJFWSA-N 2 0 250.386 2.606 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCc2ccco2)C1 ZINC000035661427 172339263 /nfs/dbraw/zinc/33/92/63/172339263.db2.gz IIGYOLHRAVYWSA-KGLIPLIRSA-N 2 0 250.386 2.532 10 0 CFAERP Nc1[nH+]c2cc(Cl)ccc2n1[C@H]1C[NH+]2CCC1CC2 ZINC000036889648 172784541 /nfs/dbraw/zinc/78/45/41/172784541.db2.gz ZWYDVIARTWECOL-ZDUSSCGKSA-N 2 0 276.771 2.539 10 0 CFAERP CC[C@@H](C)C[N@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000037172386 173006067 /nfs/dbraw/zinc/00/60/67/173006067.db2.gz DOUZJNSTIRYDCZ-CQSZACIVSA-N 2 0 264.413 2.545 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037209102 173030613 /nfs/dbraw/zinc/03/06/13/173030613.db2.gz ADESZHYKLIJJDG-HIFRSBDPSA-N 2 0 264.388 2.688 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220973 173038950 /nfs/dbraw/zinc/03/89/50/173038950.db2.gz SSIPESOIPVWJGZ-DOMZBBRYSA-N 2 0 250.430 2.885 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037220831 173039846 /nfs/dbraw/zinc/03/98/46/173039846.db2.gz HNIQDQPCAOJFPA-LZWOXQAQSA-N 2 0 261.413 2.853 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]Cc2cccnc2)CC1 ZINC000037221172 173040855 /nfs/dbraw/zinc/04/08/55/173040855.db2.gz CKSYYOSRARKKNP-AWEZNQCLSA-N 2 0 261.413 2.682 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)CC1 ZINC000038028855 174018753 /nfs/dbraw/zinc/01/87/53/174018753.db2.gz BFGMMWABBGFTKK-HOTGVXAUSA-N 2 0 281.488 2.571 10 0 CFAERP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH2+]CC1 ZINC000038041089 174041271 /nfs/dbraw/zinc/04/12/71/174041271.db2.gz GXLQKOLRVFETOX-LLVKDONJSA-N 2 0 252.789 2.613 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OCCC[NH+](C)C)cc1 ZINC000040240396 174212933 /nfs/dbraw/zinc/21/29/33/174212933.db2.gz XRSRUZADMKRZPC-CYBMUJFWSA-N 2 0 250.386 2.688 10 0 CFAERP CC(C)C[C@@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693831 174377938 /nfs/dbraw/zinc/37/79/38/174377938.db2.gz SAHJXAVVISLUNG-KRWDZBQOSA-N 2 0 281.488 2.700 10 0 CFAERP C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693813 174377962 /nfs/dbraw/zinc/37/79/62/174377962.db2.gz OSNGSJYEMKOJJW-AEFFLSMTSA-N 2 0 293.499 2.844 10 0 CFAERP Cc1ccc([C@@H](C[NH3+])N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000040693843 174377966 /nfs/dbraw/zinc/37/79/66/174377966.db2.gz SQROOIVYJYTRAH-MRXNPFEDSA-N 2 0 291.439 2.538 10 0 CFAERP CCCN(Cc1c(C)noc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747654 174392638 /nfs/dbraw/zinc/39/26/38/174392638.db2.gz CCXJOFILXJMDDK-YIONKMFJSA-N 2 0 277.412 2.786 10 0 CFAERP CCCN(Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747595 174392699 /nfs/dbraw/zinc/39/26/99/174392699.db2.gz ITOYXMZZXDMMKF-MZBDJJRSSA-N 2 0 259.397 2.577 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(Cl)cc1 ZINC000040750134 174395386 /nfs/dbraw/zinc/39/53/86/174395386.db2.gz VLPZGDHQUZKETR-AGUYFDCRSA-N 2 0 280.799 2.673 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccccc1C)N1CC[NH+](C2CC2)CC1 ZINC000043036474 174950959 /nfs/dbraw/zinc/95/09/59/174950959.db2.gz JCDJCQHDISFDHB-ROUUACIJSA-N 2 0 287.451 2.553 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C1CC[NH+](CC)CC1 ZINC000043365322 175026003 /nfs/dbraw/zinc/02/60/03/175026003.db2.gz IJOJOVGQGMLNGG-RDJZCZTQSA-N 2 0 293.455 2.783 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC(C[NH+](C)C)CC1 ZINC000043364996 175026188 /nfs/dbraw/zinc/02/61/88/175026188.db2.gz LLXWIIGKFWUQCD-DOTOQJQBSA-N 2 0 293.455 2.640 10 0 CFAERP CCC1CCC(C[NH3+])(N2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000043424624 175040075 /nfs/dbraw/zinc/04/00/75/175040075.db2.gz UVHDTMUJILTVOW-PWUWZPNHSA-N 2 0 266.429 2.537 10 0 CFAERP [NH3+]CCCCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428143 175041273 /nfs/dbraw/zinc/04/12/73/175041273.db2.gz RUZMEYBMIPJBAK-GJZGRUSLSA-N 2 0 254.418 2.539 10 0 CFAERP CCCC[C@H](CC)C[N@@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000043454540 175050226 /nfs/dbraw/zinc/05/02/26/175050226.db2.gz WQWBQYYSMHBEAS-IRXDYDNUSA-N 2 0 283.504 2.805 10 0 CFAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000043488408 175056981 /nfs/dbraw/zinc/05/69/81/175056981.db2.gz UEWPWHVPYBPHRC-CYBMUJFWSA-N 2 0 282.815 2.866 10 0 CFAERP C[C@H](C[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043534558 175062945 /nfs/dbraw/zinc/06/29/45/175062945.db2.gz RALPOHMFIZQUJD-QAPCUYQASA-N 2 0 289.467 2.534 10 0 CFAERP C[C@H](C[C@@H](C[NH3+])N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043534824 175063084 /nfs/dbraw/zinc/06/30/84/175063084.db2.gz QWYVDECDIIHYEG-QAPCUYQASA-N 2 0 289.467 2.534 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805637 175107416 /nfs/dbraw/zinc/10/74/16/175107416.db2.gz GCOOCAHZPYUIFW-BZSNNMDCSA-N 2 0 295.515 2.961 10 0 CFAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccc(C(C)C)cc2)CC1 ZINC000043805891 175108681 /nfs/dbraw/zinc/10/86/81/175108681.db2.gz ZNOOSBIPDOWSBF-GOSISDBHSA-N 2 0 289.467 2.708 10 0 CFAERP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000043815256 175111743 /nfs/dbraw/zinc/11/17/43/175111743.db2.gz PNORISTVBCPOKO-ROUUACIJSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815360 175112285 /nfs/dbraw/zinc/11/22/85/175112285.db2.gz NHMICOKJDSUMMS-HZPDHXFCSA-N 2 0 269.477 2.569 10 0 CFAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(C)c(C)c1 ZINC000043818439 175112941 /nfs/dbraw/zinc/11/29/41/175112941.db2.gz WPACGINCVQLRQE-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(C)c(C)c1 ZINC000043818437 175113035 /nfs/dbraw/zinc/11/30/35/175113035.db2.gz WPACGINCVQLRQE-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1c(C)cc(C)cc1C ZINC000043818153 175113186 /nfs/dbraw/zinc/11/31/86/175113186.db2.gz NVCAGDJKZNYFCW-QGZVFWFLSA-N 2 0 289.467 2.510 10 0 CFAERP CCCc1ccc([C@@H](CN2CCC[N@H+](C)CC2)[NH2+]C)cc1 ZINC000043818183 175113320 /nfs/dbraw/zinc/11/33/20/175113320.db2.gz REJFFFDQDUOQET-GOSISDBHSA-N 2 0 289.467 2.537 10 0 CFAERP CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818368 175113329 /nfs/dbraw/zinc/11/33/29/175113329.db2.gz XCMIHVCKHICYED-ULQDDVLXSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CCC)C(C)C)OCCO2 ZINC000043885284 175116786 /nfs/dbraw/zinc/11/67/86/175116786.db2.gz OMOLUNNVKUHNRP-HOTGVXAUSA-N 2 0 298.471 2.771 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888990 175117796 /nfs/dbraw/zinc/11/77/96/175117796.db2.gz VQZHMAUTSGPQDZ-XHSDSOJGSA-N 2 0 298.471 2.771 10 0 CFAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1cc(C)ccc1C ZINC000043896954 175119784 /nfs/dbraw/zinc/11/97/84/175119784.db2.gz VDRAEIYIGZLZHS-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897186 175119804 /nfs/dbraw/zinc/11/98/04/175119804.db2.gz FZQQCRKVUGTCJA-KURKYZTESA-N 2 0 295.515 2.959 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043897202 175119976 /nfs/dbraw/zinc/11/99/76/175119976.db2.gz RHKJGWKVVLKWEZ-IAGOWNOFSA-N 2 0 283.504 2.959 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897183 175120154 /nfs/dbraw/zinc/12/01/54/175120154.db2.gz FZQQCRKVUGTCJA-KSZLIROESA-N 2 0 295.515 2.959 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897556 175120285 /nfs/dbraw/zinc/12/02/85/175120285.db2.gz UWJHBPTZEXAUOV-DLBZAZTESA-N 2 0 283.504 2.959 10 0 CFAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907687 175123378 /nfs/dbraw/zinc/12/33/78/175123378.db2.gz DGFVVLYPPAWLBV-MSOLQXFVSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[NH2+][C@H](C)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907949 175123481 /nfs/dbraw/zinc/12/34/81/175123481.db2.gz VSHOAJVPGWGXSQ-CVEARBPZSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000043965562 175127063 /nfs/dbraw/zinc/12/70/63/175127063.db2.gz SVCGAVNVXHNSSM-QGZVFWFLSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967997 175129024 /nfs/dbraw/zinc/12/90/24/175129024.db2.gz YLIPMSVPPWMKJB-QZTJIDSGSA-N 2 0 293.499 2.715 10 0 CFAERP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+](CCOC)CC(C)C ZINC000043970291 175131532 /nfs/dbraw/zinc/13/15/32/175131532.db2.gz IYHFQMGJUNLXIC-LSDHHAIUSA-N 2 0 258.450 2.758 10 0 CFAERP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+](CCOC)[C@@H](C)CC ZINC000043973189 175132593 /nfs/dbraw/zinc/13/25/93/175132593.db2.gz QCPXHYHLRSKHBM-SOUVJXGZSA-N 2 0 258.450 2.900 10 0 CFAERP CC[NH+]1CCC(N(C)C[C@@H]([NH2+]C)c2ccccc2C)CC1 ZINC000043978107 175133450 /nfs/dbraw/zinc/13/34/50/175133450.db2.gz JVSMFJWGYQOPKQ-GOSISDBHSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982182 175133967 /nfs/dbraw/zinc/13/39/67/175133967.db2.gz NZZXZFPQGILEQN-SJORKVTESA-N 2 0 283.504 2.817 10 0 CFAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982170 175133995 /nfs/dbraw/zinc/13/39/95/175133995.db2.gz NYCSOVDHGCXMGG-IKGGRYGDSA-N 2 0 283.504 2.673 10 0 CFAERP CCC[NH2+][C@@H](CC)[C@H](C)N(CC[NH+](C)C)CC(C)C ZINC000043982365 175134421 /nfs/dbraw/zinc/13/44/21/175134421.db2.gz QTUUFYWNYRGZAO-HOTGVXAUSA-N 2 0 271.493 2.673 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2ccccc2Cl)[C@H](C)[NH3+])CC1 ZINC000044418482 175173378 /nfs/dbraw/zinc/17/33/78/175173378.db2.gz WMMYTLQYSYTBRC-XJKSGUPXSA-N 2 0 295.858 2.756 10 0 CFAERP CCOc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1OC ZINC000044516505 175190491 /nfs/dbraw/zinc/19/04/91/175190491.db2.gz CKFQBQSGYQNOTN-UHFFFAOYSA-N 2 0 292.423 2.525 10 0 CFAERP C[NH+]1CCC(C[NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000044518417 175191120 /nfs/dbraw/zinc/19/11/20/175191120.db2.gz RCZBKJDPCIVZIM-UHFFFAOYSA-N 2 0 269.392 2.666 10 0 CFAERP CC(C)c1ccc([C@@H](O)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044518165 175191131 /nfs/dbraw/zinc/19/11/31/175191131.db2.gz QGJJWXOZCDHZLQ-SFHVURJKSA-N 2 0 290.451 2.775 10 0 CFAERP C[N@@H+]1CCC[C@H](Cn2c(N)[nH+]c3cc(Cl)ccc32)C1 ZINC000044538230 175199412 /nfs/dbraw/zinc/19/94/12/175199412.db2.gz UZXVIHHVBBYMFC-JTQLQIEISA-N 2 0 278.787 2.614 10 0 CFAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCN1C ZINC000044560646 175204243 /nfs/dbraw/zinc/20/42/43/175204243.db2.gz BKXAZVDTSVMRFK-KTGAGVNESA-N 2 0 293.499 2.569 10 0 CFAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660205 175226206 /nfs/dbraw/zinc/22/62/06/175226206.db2.gz TXNXWEURABEIBW-YALNPMBYSA-N 2 0 258.409 2.862 10 0 CFAERP c1ccc([C@H]2C[C@@H]2[NH2+]CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000044675899 175227133 /nfs/dbraw/zinc/22/71/33/175227133.db2.gz JKJTWLIWPOPPCT-UAGQMJEPSA-N 2 0 258.409 2.912 10 0 CFAERP [NH3+]Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000045069363 175300868 /nfs/dbraw/zinc/30/08/68/175300868.db2.gz YBMMOYAIZFFKPR-QZTJIDSGSA-N 2 0 288.435 2.833 10 0 CFAERP CCC[NH+](CCC)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045378551 175367589 /nfs/dbraw/zinc/36/75/89/175367589.db2.gz BWCDOOCRAYSHDB-INIZCTEOSA-N 2 0 285.476 2.521 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379090 175368707 /nfs/dbraw/zinc/36/87/07/175368707.db2.gz NRLQDYFDMFBYAP-KRWDZBQOSA-N 2 0 297.487 2.665 10 0 CFAERP CCC(CC)[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045391488 175375053 /nfs/dbraw/zinc/37/50/53/175375053.db2.gz TZTGWLNZFLPSKA-INIZCTEOSA-N 2 0 285.476 2.519 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045420984 175380136 /nfs/dbraw/zinc/38/01/36/175380136.db2.gz UPEOIKURWYWJDK-BBRMVZONSA-N 2 0 286.460 2.804 10 0 CFAERP COc1ccc(C)cc1[C@H](CC[NH3+])C[NH+]1CCCC1 ZINC000076676225 177056234 /nfs/dbraw/zinc/05/62/34/177056234.db2.gz YVYNLJWZTTXHDX-CQSZACIVSA-N 2 0 262.397 2.532 10 0 CFAERP COc1ccccc1[C@H](CC[NH3+])C[NH+]1CCCCC1 ZINC000076676245 177056251 /nfs/dbraw/zinc/05/62/51/177056251.db2.gz QLWUJJXIZPJOQG-CQSZACIVSA-N 2 0 262.397 2.614 10 0 CFAERP CSc1ccc([C@H](CC[NH3+])C[NH+]2CCCC2)cc1 ZINC000076680413 177058437 /nfs/dbraw/zinc/05/84/37/177058437.db2.gz XGJYWNVWHJYPPK-CQSZACIVSA-N 2 0 264.438 2.937 10 0 CFAERP CCC[C@H](CC[NH3+])CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000079244744 177455374 /nfs/dbraw/zinc/45/53/74/177455374.db2.gz RXJGGLOKJVPCLM-IRXDYDNUSA-N 2 0 283.504 2.948 10 0 CFAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000234802298 522668905 /nfs/dbraw/zinc/66/89/05/522668905.db2.gz OKIDDVAZIPMYDC-UWVGGRQHSA-N 2 0 276.833 2.806 10 0 CFAERP C[C@H]([NH2+][C@H]1CCCc2sccc21)[C@@H]1CC[NH2+]C1 ZINC000400406220 274527384 /nfs/dbraw/zinc/52/73/84/274527384.db2.gz RUKHCRDJRYDHPB-LOWVWBTDSA-N 2 0 250.411 2.713 10 0 CFAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CC[C@H](C)C3)CC2)CC1 ZINC000335012981 276359052 /nfs/dbraw/zinc/35/90/52/276359052.db2.gz YFBGVVLEQWNQBL-FUHWJXTLSA-N 2 0 293.499 2.667 10 0 CFAERP C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000053204707 277295261 /nfs/dbraw/zinc/29/52/61/277295261.db2.gz DXVBPJNYPYZWOJ-CYBMUJFWSA-N 2 0 255.365 2.731 10 0 CFAERP CC[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(OC)cc1 ZINC000251136272 288089270 /nfs/dbraw/zinc/08/92/70/288089270.db2.gz ZJKHMHCYJXGWTD-BPUTZDHNSA-N 2 0 262.397 2.863 10 0 CFAERP CC[NH+](CC)[C@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000133531582 279165735 /nfs/dbraw/zinc/16/57/35/279165735.db2.gz OIYVRLCHUMXZBZ-ZWKOTPCHSA-N 2 0 289.467 2.801 10 0 CFAERP Cc1[nH+]ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC000261555322 279165852 /nfs/dbraw/zinc/16/58/52/279165852.db2.gz BIMZBUGNFSDABU-SRVKXCTJSA-N 2 0 265.788 2.607 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CCC(F)(F)CC1 ZINC000423265392 279536943 /nfs/dbraw/zinc/53/69/43/279536943.db2.gz CXABCFRXCLGBNZ-UHTWSYAYSA-N 2 0 260.372 2.917 10 0 CFAERP C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC000565539757 290307883 /nfs/dbraw/zinc/30/78/83/290307883.db2.gz NZVJDHAWVOLZRD-CHQKBHSXSA-N 2 0 250.430 2.790 10 0 CFAERP C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000565821669 290327609 /nfs/dbraw/zinc/32/76/09/290327609.db2.gz ZATJZVUXBKJWSG-JSGCOSHPSA-N 2 0 266.816 2.860 10 0 CFAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000262003832 298876900 /nfs/dbraw/zinc/87/69/00/298876900.db2.gz QRPLXKAECWTDDN-UGUYLWEFSA-N 2 0 268.445 2.844 10 0 CFAERP CC(C)[N@H+](C)CCCC[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000045700657 519616515 /nfs/dbraw/zinc/61/65/15/519616515.db2.gz CNCUQCRGSGZSDI-HNNXBMFYSA-N 2 0 297.487 2.534 10 0 CFAERP CC(C)CN(CC[NH+](C)C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052503319 519716779 /nfs/dbraw/zinc/71/67/79/519716779.db2.gz FAFVMYGMIYCJMH-UHFFFAOYSA-N 2 0 295.471 2.797 10 0 CFAERP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000052423928 519720988 /nfs/dbraw/zinc/72/09/88/519720988.db2.gz CQYRPWFQWLWGCY-OAHLLOKOSA-N 2 0 263.429 2.723 10 0 CFAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543561 519721199 /nfs/dbraw/zinc/72/11/99/519721199.db2.gz LGINZAADZAYGHI-UONOGXRCSA-N 2 0 256.434 2.652 10 0 CFAERP CC(C)C[NH2+]Cc1cccc(C[NH+]2CCSCC2)c1 ZINC000052425525 519747288 /nfs/dbraw/zinc/74/72/88/519747288.db2.gz FJSIWABEUZIJPG-UHFFFAOYSA-N 2 0 278.465 2.981 10 0 CFAERP CC(C)C[NH2+]C[C@H](C(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503253 519745629 /nfs/dbraw/zinc/74/56/29/519745629.db2.gz DFSFUCONDBNWES-QGZVFWFLSA-N 2 0 285.520 2.776 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000050370778 519847583 /nfs/dbraw/zinc/84/75/83/519847583.db2.gz ZXYKGJUHKVORNL-BMFZPTHFSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+]CCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573188 519911996 /nfs/dbraw/zinc/91/19/96/519911996.db2.gz MLSXWYXNMNYWCV-HOTGVXAUSA-N 2 0 268.445 2.800 10 0 CFAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCSC2)oc1C ZINC000052453187 519988047 /nfs/dbraw/zinc/98/80/47/519988047.db2.gz PVVDBYKWGBMWQO-CYBMUJFWSA-N 2 0 268.426 2.635 10 0 CFAERP CC[NH2+]Cc1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000052371020 520004357 /nfs/dbraw/zinc/00/43/57/520004357.db2.gz SAOVVACMZGDCJO-UHFFFAOYSA-N 2 0 264.438 2.735 10 0 CFAERP CC[NH2+]Cc1occc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420653 520030023 /nfs/dbraw/zinc/03/00/23/520030023.db2.gz AJIXVWDCRVQVGA-STQMWFEESA-N 2 0 250.386 2.867 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000061699549 520078038 /nfs/dbraw/zinc/07/80/38/520078038.db2.gz WSTAKWKNQWKKTB-NSHDSACASA-N 2 0 270.804 2.951 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000061699550 520179371 /nfs/dbraw/zinc/17/93/71/520179371.db2.gz WSTAKWKNQWKKTB-LLVKDONJSA-N 2 0 270.804 2.951 10 0 CFAERP CCC[N@H+](CC)CCOc1cccc(C[NH2+]C)c1 ZINC000052448357 521612313 /nfs/dbraw/zinc/61/23/13/521612313.db2.gz JIZLVXIUCFZEFH-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CCC[N@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052448334 521613113 /nfs/dbraw/zinc/61/31/13/521613113.db2.gz JGPJIABZECIZJF-UHFFFAOYSA-N 2 0 253.390 2.795 10 0 CFAERP C[NH2+]CC1(C[N@H+](Cc2cccs2)C(C)C)CCOCC1 ZINC000052183356 521967633 /nfs/dbraw/zinc/96/76/33/521967633.db2.gz OXOWCZRBFOYRFE-UHFFFAOYSA-N 2 0 296.480 2.975 10 0 CFAERP CC(C)(C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000048926945 518713004 /nfs/dbraw/zinc/71/30/04/518713004.db2.gz AQWFIUAJDCXMAS-HNNXBMFYSA-N 2 0 295.858 2.756 10 0 CFAERP CC(C)(C)[NH2+]CCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702276 518759348 /nfs/dbraw/zinc/75/93/48/518759348.db2.gz OFHNQLYGRFIUBW-MRXNPFEDSA-N 2 0 276.424 2.666 10 0 CFAERP CC(C)[NH2+]CC1(C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180558 519720335 /nfs/dbraw/zinc/72/03/35/519720335.db2.gz PBLPBAUKZRFJPW-HZPDHXFCSA-N 2 0 282.472 2.759 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1OCC[NH+]1CCSCC1 ZINC000052425583 519727903 /nfs/dbraw/zinc/72/79/03/519727903.db2.gz MBXVOHIHMJAZKQ-UHFFFAOYSA-N 2 0 294.464 2.612 10 0 CFAERP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507806 519743981 /nfs/dbraw/zinc/74/39/81/519743981.db2.gz XKKGLRQHVUPHFH-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374541 519745432 /nfs/dbraw/zinc/74/54/32/519745432.db2.gz QFZOODDRJDNPFM-ROUUACIJSA-N 2 0 288.435 2.795 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H](CC)C2)CCOCC1 ZINC000052181819 519912947 /nfs/dbraw/zinc/91/29/47/519912947.db2.gz MQSUVZUUEPVPBD-HNNXBMFYSA-N 2 0 268.445 2.515 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419171 519938729 /nfs/dbraw/zinc/93/87/29/519938729.db2.gz KIHUDLWGDSMGJP-MSOLQXFVSA-N 2 0 288.435 2.592 10 0 CFAERP CCC[NH2+]Cc1cc(C[N@H+](CC)[C@@H](C)CC)on1 ZINC000052451146 519944780 /nfs/dbraw/zinc/94/47/80/519944780.db2.gz LVUQZFDCQVKKQL-LBPRGKRZSA-N 2 0 253.390 2.795 10 0 CFAERP CC[NH2+]Cc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000052381393 519999635 /nfs/dbraw/zinc/99/96/35/519999635.db2.gz VLZQLJYFVYSRBH-OAHLLOKOSA-N 2 0 276.424 2.907 10 0 CFAERP CC[NH2+]Cc1occc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420652 520030330 /nfs/dbraw/zinc/03/03/30/520030330.db2.gz AJIXVWDCRVQVGA-BETUJISGSA-N 2 0 250.386 2.867 10 0 CFAERP CCCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401386 520284694 /nfs/dbraw/zinc/28/46/94/520284694.db2.gz HBQFIPVPSGVYSW-INIZCTEOSA-N 2 0 280.387 2.675 10 0 CFAERP CCCO[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]C2CC2)C1 ZINC000052371628 520288168 /nfs/dbraw/zinc/28/81/68/520288168.db2.gz HULOKXLPKZHVLL-HOCLYGCPSA-N 2 0 268.445 2.798 10 0 CFAERP CC[N@H+](CC(C)C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181224 520412729 /nfs/dbraw/zinc/41/27/29/520412729.db2.gz NHMGAWLEGRKSIW-UHFFFAOYSA-N 2 0 270.461 2.759 10 0 CFAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085364160 520756792 /nfs/dbraw/zinc/75/67/92/520756792.db2.gz MSOVLUMHLJNJEN-HZPDHXFCSA-N 2 0 289.423 2.594 10 0 CFAERP CCCCOCC[N@H+](CCC[NH3+])C1CCCCC1 ZINC000049261663 520760091 /nfs/dbraw/zinc/76/00/91/520760091.db2.gz AZIXQOSKWUMVJN-UHFFFAOYSA-N 2 0 256.434 2.787 10 0 CFAERP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000151243844 520776828 /nfs/dbraw/zinc/77/68/28/520776828.db2.gz RYJBDOHFBUTTPU-ZWKOTPCHSA-N 2 0 290.451 2.964 10 0 CFAERP CCC[C@@H]1CC[C@@H]([NH3+])[C@H](C[NH+]2CCSCC2)C1 ZINC000053864393 520829056 /nfs/dbraw/zinc/82/90/56/520829056.db2.gz OUVZYSJWUIBAJO-HZSPNIEDSA-N 2 0 256.459 2.579 10 0 CFAERP CC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052377161 521021833 /nfs/dbraw/zinc/02/18/33/521021833.db2.gz GRKJNSQZBAHEOF-HUUCEWRRSA-N 2 0 268.445 2.654 10 0 CFAERP CCC(C)(C)[N@H+](C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000069448504 521304145 /nfs/dbraw/zinc/30/41/45/521304145.db2.gz BUPKYAJVXKLQQJ-UHFFFAOYSA-N 2 0 253.390 2.793 10 0 CFAERP CC[N@H+](Cc1ccncc1)[C@H](C)CCC[NH2+]C1CC1 ZINC000052515036 521420737 /nfs/dbraw/zinc/42/07/37/521420737.db2.gz IGQWVZXSJCYSQG-CQSZACIVSA-N 2 0 261.413 2.824 10 0 CFAERP CCS[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000300678788 521731613 /nfs/dbraw/zinc/73/16/13/521731613.db2.gz YSHOAHUACUNIFG-KBPBESRZSA-N 2 0 256.459 2.736 10 0 CFAERP CCc1ccccc1[C@@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000052203795 521930028 /nfs/dbraw/zinc/93/00/28/521930028.db2.gz JDORKCYWRFZBPJ-GOSISDBHSA-N 2 0 289.467 2.522 10 0 CFAERP C[NH2+]CC1(C[NH+](CC(C)C)CC(C)C)CCOCC1 ZINC000052182231 521968311 /nfs/dbraw/zinc/96/83/11/521968311.db2.gz UCCCWMXDSGJKNG-UHFFFAOYSA-N 2 0 270.461 2.617 10 0 CFAERP C[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541629 521997525 /nfs/dbraw/zinc/99/75/25/521997525.db2.gz JAUOLKQHYMJCJE-ZDUSSCGKSA-N 2 0 250.386 2.515 10 0 CFAERP CC[C@@H](C)[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181182 522048903 /nfs/dbraw/zinc/04/89/03/522048903.db2.gz DUBTZHUVHWLVQO-CQSZACIVSA-N 2 0 256.434 2.512 10 0 CFAERP CC[C@@H](C[NH2+]C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417098 522545887 /nfs/dbraw/zinc/54/58/87/522545887.db2.gz PPYSPNCMTPTJFI-SFHVURJKSA-N 2 0 289.467 2.581 10 0 CFAERP CN1CCC([N@H+](C)CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052419897 522727506 /nfs/dbraw/zinc/72/75/06/522727506.db2.gz SMPNOGSKYVPROF-UHFFFAOYSA-N 2 0 269.477 2.571 10 0 CFAERP COCCC1(C[NH2+]C2CCC([NH3+])CC2)CCCCC1 ZINC000261955003 523058615 /nfs/dbraw/zinc/05/86/15/523058615.db2.gz ONAQCIGORYIUTA-UHFFFAOYSA-N 2 0 268.445 2.833 10 0 CFAERP COCc1ccccc1C[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205658 523102789 /nfs/dbraw/zinc/10/27/89/523102789.db2.gz VCCJMILRDGQEED-QGZVFWFLSA-N 2 0 276.424 2.797 10 0 CFAERP CN(Cc1ccc(C[NH2+]C(C)(C)C)o1)C1CC[NH+](C)CC1 ZINC000052419830 523220024 /nfs/dbraw/zinc/22/00/24/523220024.db2.gz KQJMGVMXBDLGPB-UHFFFAOYSA-N 2 0 293.455 2.694 10 0 CFAERP CCn1cc[nH+]c1N(CCC[NH3+])c1ccc(F)cc1 ZINC000050607879 523546235 /nfs/dbraw/zinc/54/62/35/523546235.db2.gz BQKIFSPEEHLSPN-UHFFFAOYSA-N 2 0 262.332 2.529 10 0 CFAERP CC[C@H](C)[NH+]1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000055067350 523960127 /nfs/dbraw/zinc/96/01/27/523960127.db2.gz LPGBAUFNENRONA-UONOGXRCSA-N 2 0 261.413 2.627 10 0 CFAERP CCc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])COC)cc1 ZINC000234116226 524047462 /nfs/dbraw/zinc/04/74/62/524047462.db2.gz WDQOIWVIVVUXAV-XJKSGUPXSA-N 2 0 264.413 2.654 10 0 CFAERP C[C@H]1CCC[N@@H+]1CCOc1ccccc1C[NH2+]C1CC1 ZINC000052375853 524120475 /nfs/dbraw/zinc/12/04/75/524120475.db2.gz NAIKEBCKOHVXHV-AWEZNQCLSA-N 2 0 274.408 2.802 10 0 CFAERP C[C@H]1CCC[C@@](CNCC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000052205803 524170301 /nfs/dbraw/zinc/17/03/01/524170301.db2.gz AWDWVTMSBAZWDL-OKZBNKHCSA-N 2 0 295.515 2.961 10 0 CFAERP C[C@@H]1CCC[C@](CNCCC[NH+]2CCCC2)([NH+](C)C)C1 ZINC000049332644 524431381 /nfs/dbraw/zinc/43/13/81/524431381.db2.gz MNMHDUBUNPFRFQ-SJORKVTESA-N 2 0 281.488 2.572 10 0 CFAERP C[C@@H](CCC[NH2+]C(C)(C)C)OC1CC[NH+](C)CC1 ZINC000052596809 524456835 /nfs/dbraw/zinc/45/68/35/524456835.db2.gz IZKPYDXHQHKJQB-ZDUSSCGKSA-N 2 0 256.434 2.654 10 0 CFAERP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](C)CCc1ccccn1 ZINC000052423818 524477585 /nfs/dbraw/zinc/47/75/85/524477585.db2.gz MTWQHVHVXSSOLU-CQSZACIVSA-N 2 0 263.429 2.580 10 0 CFAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](C3CCCC3)CC2)c1 ZINC000052060167 524833894 /nfs/dbraw/zinc/83/38/94/524833894.db2.gz MBDHKJNJGHMYHD-GOSISDBHSA-N 2 0 287.451 2.555 10 0 CFAERP Cc1ccc(N(CCC[NH3+])CCC[NH+]2CCCC2)cc1 ZINC000049332050 524900201 /nfs/dbraw/zinc/90/02/01/524900201.db2.gz DRRQYRWPPBIAJF-UHFFFAOYSA-N 2 0 275.440 2.636 10 0 CFAERP C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000048927088 526097323 /nfs/dbraw/zinc/09/73/23/526097323.db2.gz VBNLZVQXKCQAFS-RDJZCZTQSA-N 2 0 289.467 2.534 10 0 CFAERP NC(=[NH2+])c1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050599517 526824382 /nfs/dbraw/zinc/82/43/82/526824382.db2.gz LQIOMOYQLUJCDS-OAHLLOKOSA-N 2 0 279.387 2.960 10 0 CFAERP [NH3+]C1CCC([N@H+](Cc2cccs2)C2CC2)CC1 ZINC000055144546 527140316 /nfs/dbraw/zinc/14/03/16/527140316.db2.gz ZVRFUWKACGDMQB-UHFFFAOYSA-N 2 0 250.411 2.982 10 0 CFAERP [NH3+]CCC[N@H+](CCCn1ccnc1)C1CCCCCC1 ZINC000049327444 527178382 /nfs/dbraw/zinc/17/83/82/527178382.db2.gz ACKAVDMJBLENAW-UHFFFAOYSA-N 2 0 278.444 2.647 10 0 CFAERP [NH3+]Cc1cc(Cl)ccc1OCCC[NH+]1CCCC1 ZINC000049331772 527248771 /nfs/dbraw/zinc/24/87/71/527248771.db2.gz XKUXYEQZUWJGCM-UHFFFAOYSA-N 2 0 268.788 2.663 10 0 CFAERP [NH3+]Cc1ccc(Cl)cc1OCC[NH+]1CCCCC1 ZINC000062787198 527252763 /nfs/dbraw/zinc/25/27/63/527252763.db2.gz WCVPWRMAENOIPE-UHFFFAOYSA-N 2 0 268.788 2.663 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cncc(F)c1 ZINC000396462153 574355152 /nfs/dbraw/zinc/35/51/52/574355152.db2.gz QIZXCEVVVYLORI-NWDGAFQWSA-N 2 0 265.376 2.602 10 0 CFAERP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261667657 618128782 /nfs/dbraw/zinc/12/87/82/618128782.db2.gz ZVLNZIISFJVPLI-ULQDDVLXSA-N 2 0 258.409 2.979 10 0 CFAERP Cc1csc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979760 618280177 /nfs/dbraw/zinc/28/01/77/618280177.db2.gz MJCAQHRMXFDYOT-CQSZACIVSA-N 2 0 279.453 2.631 10 0 CFAERP Cc1ccc(C[C@@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000094089245 619078070 /nfs/dbraw/zinc/07/80/70/619078070.db2.gz ZDGWWSLDZDUGQZ-QFWMXSHPSA-N 2 0 252.427 2.847 10 0 CFAERP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261578441 619173007 /nfs/dbraw/zinc/17/30/07/619173007.db2.gz OZDCXKTYZXGMPI-WDEREUQCSA-N 2 0 264.335 2.649 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000228358404 623141401 /nfs/dbraw/zinc/14/14/01/623141401.db2.gz QQCVSWTZPDQKKY-YFKTTZPYSA-N 2 0 264.335 2.825 10 0 CFAERP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(C)(C)C)C2)ccn1 ZINC000886071972 646854994 /nfs/dbraw/zinc/85/49/94/646854994.db2.gz JWAAQOOJMOCMAA-MRXNPFEDSA-N 2 0 291.439 2.642 10 0 CFAERP CC[NH+](CC)CCc1nc(C(C)C)c(C[NH2+]C)s1 ZINC000082434504 178011173 /nfs/dbraw/zinc/01/11/73/178011173.db2.gz VQTHZADAIRQJSY-UHFFFAOYSA-N 2 0 269.458 2.870 10 0 CFAERP CC[NH+](CC)CCc1nc(COC)c(C[NH2+]C(C)C)s1 ZINC000082446910 178025022 /nfs/dbraw/zinc/02/50/22/178025022.db2.gz RRCRSONOKYYMGJ-UHFFFAOYSA-N 2 0 299.484 2.672 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@@H](CC[NH3+])C2)c1Cl ZINC000261558820 282185873 /nfs/dbraw/zinc/18/58/73/282185873.db2.gz SRTPUEIZXWOIKS-NSHDSACASA-N 2 0 253.777 2.609 10 0 CFAERP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000226019156 539422113 /nfs/dbraw/zinc/42/21/13/539422113.db2.gz DXMCTSIBPOGHBI-GRYCIOLGSA-N 2 0 264.335 2.791 10 0 CFAERP [NH3+][C@@H]1CC[C@H](C(c2ccccc2)c2ccccc2)[NH2+]C1 ZINC000116380688 347786615 /nfs/dbraw/zinc/78/66/15/347786615.db2.gz KPNXZZXQPSJJQN-IAGOWNOFSA-N 2 0 266.388 2.898 10 0 CFAERP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000086817848 179345822 /nfs/dbraw/zinc/34/58/22/179345822.db2.gz HSXGSFQCWSJHSZ-OCCSQVGLSA-N 2 0 276.380 2.550 10 0 CFAERP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000086817846 179346048 /nfs/dbraw/zinc/34/60/48/179346048.db2.gz HSXGSFQCWSJHSZ-TZMCWYRMSA-N 2 0 276.380 2.550 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)CC(C)C)CC1 ZINC000086848088 179356705 /nfs/dbraw/zinc/35/67/05/179356705.db2.gz AOVDKEUGLTWYFS-HOTGVXAUSA-N 2 0 269.477 2.556 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](COC)C(C)C)CC1 ZINC000086845969 179354509 /nfs/dbraw/zinc/35/45/09/179354509.db2.gz GMMIMQQRBWVJFP-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CC[N@@H+]1CCC[C@H]([NH2+]CCCOc2ccccc2)CC1 ZINC000086844168 179354601 /nfs/dbraw/zinc/35/46/01/179354601.db2.gz OBPSVCBTCADAHM-INIZCTEOSA-N 2 0 276.424 2.920 10 0 CFAERP Cc1ccnc(N[C@@H](C)C[C@H](C)[NH3+])c1Br ZINC000235503294 348228110 /nfs/dbraw/zinc/22/81/10/348228110.db2.gz UMCPWFLSAHJUCK-IUCAKERBSA-N 2 0 272.190 2.690 10 0 CFAERP C[C@@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)CC[NH2+]C[C@@H]2C ZINC000306493122 348388202 /nfs/dbraw/zinc/38/82/02/348388202.db2.gz YRPTZCWYPIRPQQ-ZMSDIMECSA-N 2 0 258.409 2.897 10 0 CFAERP C[C@@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)CC[NH2+]C[C@H]2C ZINC000306493117 348388284 /nfs/dbraw/zinc/38/82/84/348388284.db2.gz YRPTZCWYPIRPQQ-INMHGKMJSA-N 2 0 258.409 2.897 10 0 CFAERP [NH3+]CC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1Cl ZINC000306664189 348390453 /nfs/dbraw/zinc/39/04/53/348390453.db2.gz WQXPWLHBTJXBFB-MRVPVSSYSA-N 2 0 253.560 2.995 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[C@@H]1CC2CCC1CC2 ZINC000400361037 348572852 /nfs/dbraw/zinc/57/28/52/348572852.db2.gz CBHZQRPMLDQILI-VXCCVHCCSA-N 2 0 250.430 2.789 10 0 CFAERP CCC[C@](C)(C[NH2+]C(C)(C)C)CN(C)CC[NH+](C)C ZINC000104193583 185923711 /nfs/dbraw/zinc/92/37/11/185923711.db2.gz AGBIOSZQJZURCO-MRXNPFEDSA-N 2 0 271.493 2.674 10 0 CFAERP [NH3+]CCC[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000584614856 348690924 /nfs/dbraw/zinc/69/09/24/348690924.db2.gz MFVFEBIMLUMSJJ-UHFFFAOYSA-N 2 0 292.814 2.629 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@@H]12 ZINC000261573520 539673183 /nfs/dbraw/zinc/67/31/83/539673183.db2.gz ASRAULRCPRCDBD-BRWVUGGUSA-N 2 0 256.393 2.733 10 0 CFAERP FC1(F)CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423075177 282944464 /nfs/dbraw/zinc/94/44/64/282944464.db2.gz NZSJICUZLWCREF-FRRDWIJNSA-N 2 0 258.356 2.685 10 0 CFAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000629595165 354855300 /nfs/dbraw/zinc/85/53/00/354855300.db2.gz NASIEBMUMCJORX-MCIONIFRSA-N 2 0 272.383 2.743 10 0 CFAERP C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631837833 355601130 /nfs/dbraw/zinc/60/11/30/355601130.db2.gz GAPXNTPPUIIBIW-GWCFXTLKSA-N 2 0 254.324 2.651 10 0 CFAERP C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631839519 355602719 /nfs/dbraw/zinc/60/27/19/355602719.db2.gz HHCCPKGTIWALGN-CJNGLKHVSA-N 2 0 254.377 2.866 10 0 CFAERP CCN1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641281 540774799 /nfs/dbraw/zinc/77/47/99/540774799.db2.gz YBSHPZDZTWXXTO-HNNXBMFYSA-N 2 0 257.381 2.742 10 0 CFAERP [NH2+]=c1ccn(CCCCCCn2ccc(=[NH2+])cc2)cc1 ZINC000029234518 372375995 /nfs/dbraw/zinc/37/59/95/372375995.db2.gz SCSIQRHUMIQCDH-UHFFFAOYSA-N 2 0 270.380 2.509 10 0 CFAERP CN(c1cc[nH+]c2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041721451 372859690 /nfs/dbraw/zinc/85/96/90/372859690.db2.gz JGVAEZUHDFLGST-PBWFPOADSA-N 2 0 267.376 2.954 10 0 CFAERP [NH3+]C1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000094074771 375339638 /nfs/dbraw/zinc/33/96/38/375339638.db2.gz YEIOAVODXMXJIM-UHFFFAOYSA-N 2 0 252.789 2.742 10 0 CFAERP CC(C)[NH2+][C@H](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095088352 375409587 /nfs/dbraw/zinc/40/95/87/375409587.db2.gz FBSCZHFYQXYOKH-GOSISDBHSA-N 2 0 290.451 2.648 10 0 CFAERP [NH3+]C[C@H]1CCCCN1Cc1ccnc2ccccc12 ZINC000104386607 375780606 /nfs/dbraw/zinc/78/06/06/375780606.db2.gz NBUXVEBARLUTAW-CQSZACIVSA-N 2 0 255.365 2.548 10 0 CFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC2CCCC2)CC1 ZINC000119183574 376368289 /nfs/dbraw/zinc/36/82/89/376368289.db2.gz AMDYQTBKFWVEDD-OAHLLOKOSA-N 2 0 282.472 2.591 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000400326254 380854835 /nfs/dbraw/zinc/85/48/35/380854835.db2.gz CKFWNQSTCZYAAY-NXEZZACHSA-N 2 0 258.818 2.532 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400335739 380857432 /nfs/dbraw/zinc/85/74/32/380857432.db2.gz FWNSEYWEKAMICZ-VYDXJSESSA-N 2 0 276.424 2.569 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400437290 380858626 /nfs/dbraw/zinc/85/86/26/380858626.db2.gz NATLLYZOPXOELK-NTZNESFSSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000400443308 380859501 /nfs/dbraw/zinc/85/95/01/380859501.db2.gz MYPCNWMQNCXDIT-PWSUYJOCSA-N 2 0 272.314 2.793 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000400446985 380861463 /nfs/dbraw/zinc/86/14/63/380861463.db2.gz PVYMNBGCTVKMFK-RKDXNWHRSA-N 2 0 289.242 2.598 10 0 CFAERP c1ccc(C[NH+]2CCC(NC3=[NH+]CCCS3)CC2)cc1 ZINC000020586389 184535950 /nfs/dbraw/zinc/53/59/50/184535950.db2.gz ATUFEKPIMWAXEC-UHFFFAOYSA-N 2 0 289.448 2.734 10 0 CFAERP C[C@H](CC[NH2+]C[C@H](O)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000379659314 382507981 /nfs/dbraw/zinc/50/79/81/382507981.db2.gz ZOJNPJBXKHVXQQ-WBVHZDCISA-N 2 0 292.467 2.894 10 0 CFAERP CCCC[N@H+](CC)CCC[C@](C)(CO)[NH2+]CCC ZINC000085216288 184605851 /nfs/dbraw/zinc/60/58/51/184605851.db2.gz IVHAPXOKULQVBB-OAHLLOKOSA-N 2 0 258.450 2.639 10 0 CFAERP [NH3+]CCC[C@H]([NH3+])c1c(F)ccc(Cl)c1Cl ZINC000575438540 382771146 /nfs/dbraw/zinc/77/11/46/382771146.db2.gz LVNRBOKIENEFOE-QMMMGPOBSA-N 2 0 251.132 2.871 10 0 CFAERP Cc1ccc([C@H]([NH3+])CCCC[NH3+])c(Br)c1 ZINC000575438905 382771356 /nfs/dbraw/zinc/77/13/56/382771356.db2.gz GPACVQYOZFKALE-GFCCVEGCSA-N 2 0 271.202 2.886 10 0 CFAERP CCOc1ccc(Br)cc1[C@@H]([NH3+])CCC[NH3+] ZINC000575439587 382771360 /nfs/dbraw/zinc/77/13/60/382771360.db2.gz UAIUORHZQBAJBD-NSHDSACASA-N 2 0 287.201 2.587 10 0 CFAERP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000575859733 382801940 /nfs/dbraw/zinc/80/19/40/382801940.db2.gz DLSATJIWAZYTOQ-DGCLKSJQSA-N 2 0 260.372 2.790 10 0 CFAERP CN(Cc1csc(-c2ccco2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231454530 382865001 /nfs/dbraw/zinc/86/50/01/382865001.db2.gz MGMAXTWAHPCIQF-ZDUSSCGKSA-N 2 0 291.420 2.977 10 0 CFAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000247253738 383156742 /nfs/dbraw/zinc/15/67/42/383156742.db2.gz UDODRAXTZCNRKL-HUUCEWRRSA-N 2 0 277.412 2.652 10 0 CFAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000249123868 383328784 /nfs/dbraw/zinc/32/87/84/383328784.db2.gz TXJJUHRZIFBZFS-IRXDYDNUSA-N 2 0 291.439 2.597 10 0 CFAERP [NH3+]C[C@H]1CCCCN1CCSCc1ccccc1 ZINC000261743640 383551093 /nfs/dbraw/zinc/55/10/93/383551093.db2.gz BPJWWQWMRHOKQM-OAHLLOKOSA-N 2 0 264.438 2.733 10 0 CFAERP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000261612409 383527892 /nfs/dbraw/zinc/52/78/92/383527892.db2.gz SPNHRUBWWPWLQC-USXIJHARSA-N 2 0 258.409 2.781 10 0 CFAERP CCCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261876410 383574527 /nfs/dbraw/zinc/57/45/27/383574527.db2.gz ZTQMTLAULHEPTP-UAGQMJEPSA-N 2 0 274.408 2.645 10 0 CFAERP CCOc1c(Cl)cccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261950778 383584284 /nfs/dbraw/zinc/58/42/84/383584284.db2.gz NXZMKGNIWZEZKT-WHOFXGATSA-N 2 0 294.826 2.908 10 0 CFAERP CCOc1c(Cl)cccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261950775 383584800 /nfs/dbraw/zinc/58/48/00/383584800.db2.gz NXZMKGNIWZEZKT-CORIIIEPSA-N 2 0 294.826 2.908 10 0 CFAERP CC(C)n1nccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261979720 383589789 /nfs/dbraw/zinc/58/97/89/383589789.db2.gz RFCZPNBBLNLZGY-AEFFLSMTSA-N 2 0 298.434 2.638 10 0 CFAERP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261986727 383591441 /nfs/dbraw/zinc/59/14/41/383591441.db2.gz RYHGZALTICIBRI-BJJXKVORSA-N 2 0 262.372 2.557 10 0 CFAERP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572850221 383827752 /nfs/dbraw/zinc/82/77/52/383827752.db2.gz DQAXXJHONRNZRP-PMRDFSHISA-N 2 0 258.409 2.910 10 0 CFAERP C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572850220 383826847 /nfs/dbraw/zinc/82/68/47/383826847.db2.gz DQAXXJHONRNZRP-OBTMHIKCSA-N 2 0 258.409 2.910 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400725467 393601487 /nfs/dbraw/zinc/60/14/87/393601487.db2.gz PFUSWSRZPMWFEY-YDHLFZDLSA-N 2 0 262.397 2.734 10 0 CFAERP CN(Cc1cccc2c1OC(C)(C)C2)[C@H]1CCC[NH2+]CC1 ZINC000231460080 393781370 /nfs/dbraw/zinc/78/13/70/393781370.db2.gz BQYZIUSBIUKZGL-INIZCTEOSA-N 2 0 288.435 2.974 10 0 CFAERP COc1cc(C)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000231461629 393781651 /nfs/dbraw/zinc/78/16/51/393781651.db2.gz SBZZPQRRARWGKJ-HNNXBMFYSA-N 2 0 292.423 2.586 10 0 CFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCCCCC2)CC1 ZINC000121084089 393948319 /nfs/dbraw/zinc/94/83/19/393948319.db2.gz PWBHWNMUKFRCAL-MRXNPFEDSA-N 2 0 296.499 2.981 10 0 CFAERP CC(C)(C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000647512610 395366950 /nfs/dbraw/zinc/36/69/50/395366950.db2.gz IRJSETZHOHMZRQ-BPUTZDHNSA-N 2 0 258.409 2.633 10 0 CFAERP Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000036959978 543024790 /nfs/dbraw/zinc/02/47/90/543024790.db2.gz GIPYWHMEJOLKRM-STQMWFEESA-N 2 0 250.386 2.969 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000390597425 543105947 /nfs/dbraw/zinc/10/59/47/543105947.db2.gz UKIUDUOIAAYUNS-CVEARBPZSA-N 2 0 290.451 2.912 10 0 CFAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000394672156 397551066 /nfs/dbraw/zinc/55/10/66/397551066.db2.gz SYROLCSNAWKLJP-QWHCGFSZSA-N 2 0 260.372 2.873 10 0 CFAERP C[NH+](C)CCCOc1ccc2ccccc2c1CC[NH3+] ZINC000011861424 170449936 /nfs/dbraw/zinc/44/99/36/170449936.db2.gz BFRWWUQUJRTYIF-UHFFFAOYSA-N 2 0 272.392 2.672 10 0 CFAERP C[NH2+]CC1CC[NH+](CCCc2cccs2)CC1 ZINC000011889235 170453618 /nfs/dbraw/zinc/45/36/18/170453618.db2.gz MFVFNAUBKOWAQM-UHFFFAOYSA-N 2 0 252.427 2.612 10 0 CFAERP CCc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)cc1 ZINC000020179540 171044467 /nfs/dbraw/zinc/04/44/67/171044467.db2.gz MLSGPPBGDZWRHD-SFHVURJKSA-N 2 0 289.467 2.522 10 0 CFAERP COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020524761 171237810 /nfs/dbraw/zinc/23/78/10/171237810.db2.gz OYDRKTKLOMHGPU-CABCVRRESA-N 2 0 270.461 2.900 10 0 CFAERP CC1CC[NH+](CCCC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022156484 171363046 /nfs/dbraw/zinc/36/30/46/171363046.db2.gz HUQXJOUQFAGYMJ-UHFFFAOYSA-N 2 0 289.423 2.596 10 0 CFAERP CC[C@@H]([NH3+])c1ccccc1OCC[NH+](CC)CC ZINC000022165995 171365665 /nfs/dbraw/zinc/36/56/65/171365665.db2.gz MBNXXSAOYFDMMN-CQSZACIVSA-N 2 0 250.386 2.817 10 0 CFAERP [NH3+]Cc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000022172473 171368963 /nfs/dbraw/zinc/36/89/63/171368963.db2.gz MUJXFFRQGDEROK-UHFFFAOYSA-N 2 0 252.361 2.704 10 0 CFAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)Cc2ccco2)C1 ZINC000035700786 172369009 /nfs/dbraw/zinc/36/90/09/172369009.db2.gz PMCGLVPFKSSKOS-UMVBOHGHSA-N 2 0 250.386 2.865 10 0 CFAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629048 287268900 /nfs/dbraw/zinc/26/89/00/287268900.db2.gz BLUAHGBTPQBFFY-QXSJWSMHSA-N 2 0 280.456 2.654 10 0 CFAERP CCCCC[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037171734 173005982 /nfs/dbraw/zinc/00/59/82/173005982.db2.gz LYVMLZJYOTYKNT-UHFFFAOYSA-N 2 0 251.349 2.732 10 0 CFAERP COc1ccc([C@H]([NH2+]CCC[NH+](C)C)C2CC2)cc1 ZINC000037213678 173034875 /nfs/dbraw/zinc/03/48/75/173034875.db2.gz HRDGMLOXYZLOER-MRXNPFEDSA-N 2 0 262.397 2.688 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220974 173038957 /nfs/dbraw/zinc/03/89/57/173038957.db2.gz SSIPESOIPVWJGZ-IUODEOHRSA-N 2 0 250.430 2.885 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221783 173041843 /nfs/dbraw/zinc/04/18/43/173041843.db2.gz CMEMMUUDRMHXAN-UGUYLWEFSA-N 2 0 268.445 2.654 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCc1ccccn1 ZINC000037486143 173229366 /nfs/dbraw/zinc/22/93/66/173229366.db2.gz RPJWWNNSLXEPCC-HNNXBMFYSA-N 2 0 263.429 2.724 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000038041951 174044456 /nfs/dbraw/zinc/04/44/56/174044456.db2.gz VKDDPOWCNVWUGR-IRXDYDNUSA-N 3 0 295.515 2.818 10 0 CFAERP CC[NH+](CC)CCn1c2cc(Cl)ccc2nc1CC[NH3+] ZINC000040405768 174254284 /nfs/dbraw/zinc/25/42/84/174254284.db2.gz TXZVFWFDOJNCRT-UHFFFAOYSA-N 2 0 294.830 2.533 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000040593377 174347387 /nfs/dbraw/zinc/34/73/87/174347387.db2.gz NBKSEAQCEPNLDN-CQSZACIVSA-N 2 0 271.408 2.610 10 0 CFAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040622790 174355983 /nfs/dbraw/zinc/35/59/83/174355983.db2.gz GXPBACGLQROZAZ-XJKSGUPXSA-N 2 0 274.408 2.699 10 0 CFAERP C[C@H]1CCCC[C@@]1(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693815 174378015 /nfs/dbraw/zinc/37/80/15/174378015.db2.gz OSNGSJYEMKOJJW-WMZOPIPTSA-N 2 0 293.499 2.844 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1OC(F)F ZINC000040749366 174393726 /nfs/dbraw/zinc/39/37/26/174393726.db2.gz HDLIOAJBRRZMAZ-YHWZYXNKSA-N 2 0 282.334 2.742 10 0 CFAERP CC(C)Oc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749446 174393780 /nfs/dbraw/zinc/39/37/80/174393780.db2.gz YBYKKBVAUZUBNN-MQVJKMGUSA-N 2 0 274.408 2.928 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1Cl ZINC000040749242 174394011 /nfs/dbraw/zinc/39/40/11/174394011.db2.gz BZPFKXOEGSOWJM-YHWZYXNKSA-N 2 0 250.773 2.794 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc2cccnc21 ZINC000040749937 174394828 /nfs/dbraw/zinc/39/48/28/174394828.db2.gz UNCZUUJWFFNDNL-MQVJKMGUSA-N 2 0 285.366 2.828 10 0 CFAERP CC(C)[C@H](C[NH2+]C1[C@H](C)CCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000040770047 174399370 /nfs/dbraw/zinc/39/93/70/174399370.db2.gz OSYXQGQCHFZCBH-KTGAGVNESA-N 2 0 295.515 2.673 10 0 CFAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C)c1 ZINC000042967690 174931918 /nfs/dbraw/zinc/93/19/18/174931918.db2.gz PRGGYYUDTIYYGI-AEFFLSMTSA-N 2 0 291.483 2.903 10 0 CFAERP CCCC(C[NH3+])(CCC)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043424590 175040212 /nfs/dbraw/zinc/04/02/12/175040212.db2.gz GYBVQWOWQDRVLT-UONOGXRCSA-N 2 0 254.418 2.537 10 0 CFAERP [NH3+]CCCCCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043428141 175041302 /nfs/dbraw/zinc/04/13/02/175041302.db2.gz RUZMEYBMIPJBAK-CABCVRRESA-N 2 0 254.418 2.539 10 0 CFAERP [NH3+]CCc1ccc(OCCC[NH+]2CCCC2)c(Cl)c1 ZINC000043490973 175057427 /nfs/dbraw/zinc/05/74/27/175057427.db2.gz FAZFKFYLLJZIFL-UHFFFAOYSA-N 2 0 282.815 2.706 10 0 CFAERP CC[N@H+](CCC[C@@H]1CCC[NH2+]C1)Cc1ccco1 ZINC000043591990 175074336 /nfs/dbraw/zinc/07/43/36/175074336.db2.gz IHPHESZNNGYOEF-AWEZNQCLSA-N 2 0 250.386 2.881 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CC[NH+](CCC)CC1 ZINC000043805550 175107708 /nfs/dbraw/zinc/10/77/08/175107708.db2.gz LVIZNGFVRLICTC-CVEARBPZSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH+]1CCN([C@@H](CC)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805394 175107757 /nfs/dbraw/zinc/10/77/57/175107757.db2.gz LGNXVLOQEKBUNP-ZWKOTPCHSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](CCC)CC1)c1ccccc1 ZINC000043805597 175107927 /nfs/dbraw/zinc/10/79/27/175107927.db2.gz QOIDUYXVLMNEHW-SFHVURJKSA-N 2 0 289.467 2.755 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@H](CC)N1CC[NH+](CC)CC1 ZINC000043806109 175108200 /nfs/dbraw/zinc/10/82/00/175108200.db2.gz NGIZCAHXXSJKNE-ROUUACIJSA-N 2 0 289.467 2.753 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+]C)cc1C[NH+]1CCCC1 ZINC000043807206 175108304 /nfs/dbraw/zinc/10/83/04/175108304.db2.gz UVVLPZFLJQSICG-ZDUSSCGKSA-N 2 0 262.397 2.962 10 0 CFAERP CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](CC)CC1 ZINC000043806062 175108373 /nfs/dbraw/zinc/10/83/73/175108373.db2.gz XSMIRBXRPZZKEB-AEFFLSMTSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccc(C)cc1C ZINC000043806053 175108536 /nfs/dbraw/zinc/10/85/36/175108536.db2.gz NYKBDQVRJLJHND-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000043814123 175111618 /nfs/dbraw/zinc/11/16/18/175111618.db2.gz CELKJDOIMKNZLW-ZDUSSCGKSA-N 2 0 262.397 2.962 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815401 175112163 /nfs/dbraw/zinc/11/21/63/175112163.db2.gz GOZYTPVFHXFWMU-XIRDDKMYSA-N 2 0 281.488 2.569 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815434 175112590 /nfs/dbraw/zinc/11/25/90/175112590.db2.gz XEKWJFKYVLRXFU-JQHSSLGASA-N 2 0 295.515 2.959 10 0 CFAERP C[NH2+][C@@H](C)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819719 175114177 /nfs/dbraw/zinc/11/41/77/175114177.db2.gz AWDXNNFSUBRMHF-HNNXBMFYSA-N 2 0 260.425 2.939 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043897050 175119945 /nfs/dbraw/zinc/11/99/45/175119945.db2.gz ALIFXOLZGLSVMQ-FUHWJXTLSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043897049 175120178 /nfs/dbraw/zinc/12/01/78/175120178.db2.gz ALIFXOLZGLSVMQ-AEFFLSMTSA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1cc(C)ccc1C ZINC000043896956 175120184 /nfs/dbraw/zinc/12/01/84/175120184.db2.gz VDRAEIYIGZLZHS-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP CCC[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043897509 175120363 /nfs/dbraw/zinc/12/03/63/175120363.db2.gz QKTJXIXCURDEHG-GOSISDBHSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897542 175120654 /nfs/dbraw/zinc/12/06/54/175120654.db2.gz BJXWQHCKJKAJDT-JQHSSLGASA-N 2 0 295.515 2.959 10 0 CFAERP CCC[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043897508 175120739 /nfs/dbraw/zinc/12/07/39/175120739.db2.gz QKTJXIXCURDEHG-SFHVURJKSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907850 175123220 /nfs/dbraw/zinc/12/32/20/175123220.db2.gz CLCWOSJHBRHVJV-ROUUACIJSA-N 2 0 293.499 2.857 10 0 CFAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907847 175123235 /nfs/dbraw/zinc/12/32/35/175123235.db2.gz CLCWOSJHBRHVJV-MSOLQXFVSA-N 2 0 293.499 2.857 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)[C@@H](C)COC)c1 ZINC000043969361 175130803 /nfs/dbraw/zinc/13/08/03/175130803.db2.gz WGOQLINOZFLGRR-KBPBESRZSA-N 2 0 294.439 2.832 10 0 CFAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970371 175131026 /nfs/dbraw/zinc/13/10/26/175131026.db2.gz KSDBZNDKJQTAQE-OAGGEKHMSA-N 2 0 270.461 2.758 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970805 175131801 /nfs/dbraw/zinc/13/18/01/175131801.db2.gz HPEFZYYGQPTYQN-IRXDYDNUSA-N 2 0 281.488 2.571 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970705 175132261 /nfs/dbraw/zinc/13/22/61/175132261.db2.gz CPDCJSRXKNQMCD-ZWKOTPCHSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N(CCOC)[C@@H](C)COC ZINC000043975895 175132451 /nfs/dbraw/zinc/13/24/51/175132451.db2.gz WBJVJJJOQSROIT-XHSDSOJGSA-N 2 0 288.476 2.527 10 0 CFAERP CCC[NH2+][C@@H](C)CC[N@@H+]1CCC[C@H](OCCC)C1 ZINC000043971319 175132476 /nfs/dbraw/zinc/13/24/76/175132476.db2.gz UERUXACJVLUOGK-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978222 175133377 /nfs/dbraw/zinc/13/33/77/175133377.db2.gz ZIDGVGWGKZZEKM-OIISXLGYSA-N 2 0 281.488 2.569 10 0 CFAERP CCC[NH2+][C@@H](C)CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977924 175133432 /nfs/dbraw/zinc/13/34/32/175133432.db2.gz YVEDEWNOIQBWOY-KBPBESRZSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978217 175133673 /nfs/dbraw/zinc/13/36/73/175133673.db2.gz ZIDGVGWGKZZEKM-XIRDDKMYSA-N 2 0 281.488 2.569 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982388 175133977 /nfs/dbraw/zinc/13/39/77/175133977.db2.gz BTFSFFSRDPSLTC-IAGOWNOFSA-N 2 0 283.504 2.817 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2ccccc2F)[C@@H]([NH3+])CC)CC1 ZINC000044418471 175173373 /nfs/dbraw/zinc/17/33/73/175173373.db2.gz KTECKOSBPMIULR-IRXDYDNUSA-N 2 0 293.430 2.632 10 0 CFAERP COc1ccc(C2CC([NH2+]C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000044533475 175196876 /nfs/dbraw/zinc/19/68/76/175196876.db2.gz AKRUMKYWVPZTBQ-ODIFPOPNSA-N 2 0 288.435 2.873 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCCCN2C)CC1 ZINC000044561425 175204623 /nfs/dbraw/zinc/20/46/23/175204623.db2.gz BIFWVTZINFCUOP-NVXWUHKLSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCCOC)C1 ZINC000044656970 175225785 /nfs/dbraw/zinc/22/57/85/175225785.db2.gz QDTCCZDEAGVAAE-HUUCEWRRSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH2+][C@@H]1CCCc2cc(OCC[NH+](C)C)ccc21 ZINC000044745631 175242016 /nfs/dbraw/zinc/24/20/16/175242016.db2.gz RHTVFWQRXBYEIH-MRXNPFEDSA-N 2 0 262.397 2.614 10 0 CFAERP CCCC(C[NH3+])(CCC)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044797446 175254585 /nfs/dbraw/zinc/25/45/85/175254585.db2.gz OYGZLVYQYNRMIP-UHFFFAOYSA-N 2 0 299.503 2.767 10 0 CFAERP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073394 175302353 /nfs/dbraw/zinc/30/23/53/175302353.db2.gz DCWOCMPKBJMCPL-BBWFWOEESA-N 2 0 280.456 2.798 10 0 CFAERP CC(C)CCOCC[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000045109369 175309428 /nfs/dbraw/zinc/30/94/28/175309428.db2.gz TUIXWTONWQYMBC-GJZGRUSLSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH+](CCC)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045378553 175367779 /nfs/dbraw/zinc/36/77/79/175367779.db2.gz BWCDOOCRAYSHDB-MRXNPFEDSA-N 2 0 285.476 2.521 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCC[NH+](CC(C)C)CC(C)C ZINC000045420412 175378552 /nfs/dbraw/zinc/37/85/52/175378552.db2.gz YELTWMIOGNJULX-INIZCTEOSA-N 2 0 286.460 2.661 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420997 175379839 /nfs/dbraw/zinc/37/98/39/175379839.db2.gz HNFSESPSWXNDDN-YOEHRIQHSA-N 2 0 299.503 2.767 10 0 CFAERP C[N@H+](CCn1ccc2c1CCC[C@@H]2[NH3+])C1CCCC1 ZINC000071379201 176143858 /nfs/dbraw/zinc/14/38/58/176143858.db2.gz SHATUJBOZQBLLG-HNNXBMFYSA-N 2 0 261.413 2.699 10 0 CFAERP C[C@H]1C[N@H+](CCC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000071402080 176153919 /nfs/dbraw/zinc/15/39/19/176153919.db2.gz NKPQCEHGFGYAMR-HOCLYGCPSA-N 2 0 262.397 2.577 10 0 CFAERP COCC[N@H+](CCC[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000071401863 176154119 /nfs/dbraw/zinc/15/41/19/176154119.db2.gz UDEWOLAVROJEIF-INIZCTEOSA-N 2 0 262.397 2.577 10 0 CFAERP CCc1ccc(CCCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071587017 176214044 /nfs/dbraw/zinc/21/40/44/176214044.db2.gz PPDKIELMILLBSV-UHFFFAOYSA-N 2 0 260.425 2.867 10 0 CFAERP COc1cc(C)c(Cl)cc1[C@H](CC[NH3+])C[NH+](C)C ZINC000076710781 177067592 /nfs/dbraw/zinc/06/75/92/177067592.db2.gz IEVPHWAEGCNEIU-LLVKDONJSA-N 2 0 270.804 2.651 10 0 CFAERP C[C@@H]1CCN(c2cc[nH+]c3ccccc32)[C@@H](C[NH3+])C1 ZINC000235376866 287604719 /nfs/dbraw/zinc/60/47/19/287604719.db2.gz LYWWOLVAWMGDOV-CHWSQXEVSA-N 2 0 255.365 2.798 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400923560 420503277 /nfs/dbraw/zinc/50/32/77/420503277.db2.gz GPLHSERIVJJKTO-VDHUWJSZSA-N 2 0 288.435 2.569 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515580 265183537 /nfs/dbraw/zinc/18/35/37/265183537.db2.gz YVZMIHPVCSDYSD-YESZJQIVSA-N 2 0 283.504 2.863 10 0 CFAERP CC(C)(CC[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000258769547 270274440 /nfs/dbraw/zinc/27/44/40/270274440.db2.gz HOAVZRSLMMDEME-UHFFFAOYSA-N 2 0 289.192 2.805 10 0 CFAERP C[NH+]1CCN(c2cc(N3CCCC3)[nH+]c3ccccc32)CC1 ZINC000253495271 277112472 /nfs/dbraw/zinc/11/24/72/277112472.db2.gz SJUUPGBVNRVJIC-UHFFFAOYSA-N 2 0 296.418 2.587 10 0 CFAERP CC(C)[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000020129264 277584907 /nfs/dbraw/zinc/58/49/07/277584907.db2.gz PBHPMBWIGVCCHC-SFHVURJKSA-N 2 0 289.467 2.752 10 0 CFAERP C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400442726 278358452 /nfs/dbraw/zinc/35/84/52/278358452.db2.gz MVGQHQINYYFAGC-MNOVXSKESA-N 2 0 272.314 2.793 10 0 CFAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000400506253 288079247 /nfs/dbraw/zinc/07/92/47/288079247.db2.gz DGPULFCDHXBZSZ-XPKDYRNWSA-N 2 0 262.397 2.734 10 0 CFAERP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000515828751 281298335 /nfs/dbraw/zinc/29/83/35/281298335.db2.gz HXFFFWNQLLHEES-ZOBORPQBSA-N 2 0 256.459 2.638 10 0 CFAERP C[NH+](C)[C@@H]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334185262 289328577 /nfs/dbraw/zinc/32/85/77/289328577.db2.gz DWAJOFSBZPKAOW-JKSUJKDBSA-N 2 0 280.456 2.798 10 0 CFAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000155046881 289910064 /nfs/dbraw/zinc/91/00/64/289910064.db2.gz VMBYSTKERCHKNX-IKGGRYGDSA-N 2 0 295.515 2.817 10 0 CFAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC000567641536 290480404 /nfs/dbraw/zinc/48/04/04/290480404.db2.gz MNWGHSJSARLPKI-JFIYKMOQSA-N 2 0 290.451 2.817 10 0 CFAERP [NH3+]CC[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000070073978 295237902 /nfs/dbraw/zinc/23/79/02/295237902.db2.gz XQTRZLPBPBOUTL-ZDUSSCGKSA-N 2 0 255.365 2.800 10 0 CFAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261551931 295238022 /nfs/dbraw/zinc/23/80/22/295238022.db2.gz AOMYZDMSQMGTMT-STQMWFEESA-N 2 0 260.372 2.873 10 0 CFAERP CCC[NH2+]C[C@H](C(C)C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545256 519929139 /nfs/dbraw/zinc/92/91/39/519929139.db2.gz JMXSQDOUIPWXRT-GOEBONIOSA-N 2 0 270.461 2.758 10 0 CFAERP CCC[NH2+]Cc1cccc(C[N@H+](C)[C@@H](C)COC)c1 ZINC000052511407 519953955 /nfs/dbraw/zinc/95/39/55/519953955.db2.gz MSUHZDNMPBAFAO-AWEZNQCLSA-N 2 0 264.413 2.653 10 0 CFAERP CC[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000052420615 519994511 /nfs/dbraw/zinc/99/45/11/519994511.db2.gz LGRMGRCOLKTFNO-CHWSQXEVSA-N 2 0 250.386 2.867 10 0 CFAERP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151307554 521063955 /nfs/dbraw/zinc/06/39/55/521063955.db2.gz VPYGUHOETHVXAG-HRCADAONSA-N 2 0 270.461 2.638 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)[C@H](C)c2cccs2)CCOCC1 ZINC000052182445 521970416 /nfs/dbraw/zinc/97/04/16/521970416.db2.gz SZDAHAIEPNJNDH-CYBMUJFWSA-N 2 0 282.453 2.757 10 0 CFAERP CC(C)C[C@H]1CSC(NCC[NH+]2CCCCC2)=[NH+]1 ZINC000049575375 519417320 /nfs/dbraw/zinc/41/73/20/519417320.db2.gz XUPPDVCCYFXUIQ-ZDUSSCGKSA-N 2 0 269.458 2.579 10 0 CFAERP CC(C)C[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045422427 519715426 /nfs/dbraw/zinc/71/54/26/519715426.db2.gz FEVDVVLBWSBNHG-KRWDZBQOSA-N 2 0 297.487 2.519 10 0 CFAERP CC(C)CN(CC[NH+](C)C)Cc1occc1C[NH2+]C(C)C ZINC000052503312 519716882 /nfs/dbraw/zinc/71/68/82/519716882.db2.gz XJGHGJSWEGUDLU-UHFFFAOYSA-N 2 0 295.471 2.797 10 0 CFAERP CC(C)[NH2+]CCCCC[N@H+](C)CCc1ccccn1 ZINC000052423944 519720469 /nfs/dbraw/zinc/72/04/69/519720469.db2.gz QMHYDMUBIUSMRV-UHFFFAOYSA-N 2 0 263.429 2.724 10 0 CFAERP CC(C)[NH2+]Cc1cccc(OCC[N@H+](C)C(C)C)c1 ZINC000052419595 519727245 /nfs/dbraw/zinc/72/72/45/519727245.db2.gz GJSPQTNHAIOJJQ-UHFFFAOYSA-N 2 0 264.413 2.904 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1OCC[N@@H+]1CC[C@H](C)C1 ZINC000052484465 519727897 /nfs/dbraw/zinc/72/78/97/519727897.db2.gz FLUFDNQCRPBEAJ-HNNXBMFYSA-N 2 0 276.424 2.905 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481864 519743512 /nfs/dbraw/zinc/74/35/12/519743512.db2.gz XJVQAVZABNIFCQ-AWEZNQCLSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2C)O1 ZINC000052379040 519746383 /nfs/dbraw/zinc/74/63/83/519746383.db2.gz QXOPYLRAHQOCBJ-XHSDSOJGSA-N 2 0 268.445 2.654 10 0 CFAERP CC(C)C[NH2+]Cc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000052424345 519747130 /nfs/dbraw/zinc/74/71/30/519747130.db2.gz RZMVLOZTMBSELI-UHFFFAOYSA-N 2 0 289.467 2.570 10 0 CFAERP CC(C)OCC[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049259238 519765374 /nfs/dbraw/zinc/76/53/74/519765374.db2.gz MZEZKNXNIBFVBT-UHFFFAOYSA-N 2 0 256.434 2.785 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](CN(C)C)C(C)C)CC1 ZINC000049197586 519847736 /nfs/dbraw/zinc/84/77/36/519847736.db2.gz POQDELDQSMSMGQ-NVXWUHKLSA-N 2 0 283.504 2.673 10 0 CFAERP CCC[NH+]1CCN(Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052422089 519859321 /nfs/dbraw/zinc/85/93/21/519859321.db2.gz FLHHAKGBJCZICJ-UHFFFAOYSA-N 2 0 293.455 2.695 10 0 CFAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccco1 ZINC000054628929 519907595 /nfs/dbraw/zinc/90/75/95/519907595.db2.gz ADJQNXOERGZSNK-GOOCMWNKSA-N 2 0 262.397 2.817 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)C2CCC(C)CC2)CCOCC1 ZINC000052197763 519911803 /nfs/dbraw/zinc/91/18/03/519911803.db2.gz BXRJXJYKYPFSJZ-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2CC)O1 ZINC000052447829 519925660 /nfs/dbraw/zinc/92/56/60/519925660.db2.gz RKOQWUZRMOQHOE-JYJNAYRXSA-N 2 0 268.445 2.798 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H](C)CC(C)C)O1 ZINC000052572053 519936310 /nfs/dbraw/zinc/93/63/10/519936310.db2.gz YOPWFVSOWUGDCK-XHSDSOJGSA-N 2 0 270.461 2.900 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482376 519953096 /nfs/dbraw/zinc/95/30/96/519953096.db2.gz CZOKFEYTKMJZOQ-YVSFHVDLSA-N 2 0 280.456 2.656 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)Cc2ccccc2)O1 ZINC000052443810 519953241 /nfs/dbraw/zinc/95/32/41/519953241.db2.gz ZCOUURLJQUYKJP-DLBZAZTESA-N 2 0 276.424 2.666 10 0 CFAERP CC[NH2+]C[C@@](C)(CC)C[NH+]1CCC(OCC)CC1 ZINC000051249894 519957491 /nfs/dbraw/zinc/95/74/91/519957491.db2.gz YAUSFAWHNBQQSN-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH2+][C@@H](C)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643371 519984383 /nfs/dbraw/zinc/98/43/83/519984383.db2.gz ZYXYBNKLQVAQAU-JKSUJKDBSA-N 2 0 269.477 2.571 10 0 CFAERP CC[NH2+]Cc1cc(OCCC[NH+](C)C)nc2ccccc12 ZINC000051549287 519992660 /nfs/dbraw/zinc/99/26/60/519992660.db2.gz HGHRKOVFIAVRFW-UHFFFAOYSA-N 2 0 287.407 2.675 10 0 CFAERP CC[NH2+]Cc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000052453126 520003855 /nfs/dbraw/zinc/00/38/55/520003855.db2.gz XOIYTSKPGRAMRD-OAHLLOKOSA-N 2 0 264.438 2.733 10 0 CFAERP CCC[NH2+][C@@H]1CCc2c1cccc2OCC[NH+](C)C ZINC000062800052 520026546 /nfs/dbraw/zinc/02/65/46/520026546.db2.gz YPMHJBOALKFWNX-OAHLLOKOSA-N 2 0 262.397 2.614 10 0 CFAERP CCC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075314 520666701 /nfs/dbraw/zinc/66/67/01/520666701.db2.gz ISWAMIYRAOJQBO-PMPSAXMXSA-N 2 0 269.477 2.569 10 0 CFAERP CCCCOCC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000049261896 520780686 /nfs/dbraw/zinc/78/06/86/520780686.db2.gz ARAUUOWFEAMAOG-HNNXBMFYSA-N 2 0 256.434 2.657 10 0 CFAERP CC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052377165 521023189 /nfs/dbraw/zinc/02/31/89/521023189.db2.gz GRKJNSQZBAHEOF-LSDHHAIUSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[C@H](C)[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181885 521033183 /nfs/dbraw/zinc/03/31/83/521033183.db2.gz DJSJLJZHLIIRFY-HNNXBMFYSA-N 2 0 270.461 2.902 10 0 CFAERP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052510966 521228391 /nfs/dbraw/zinc/22/83/91/521228391.db2.gz NTCIIITYBAYCDX-HOTGVXAUSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[N@H+](CC1(C[NH2+]CC(C)C)CCOCC1)C1CC1 ZINC000052181430 521618881 /nfs/dbraw/zinc/61/88/81/521618881.db2.gz VXBWSLRUJCIEKD-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[NH+](CCC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180907 521642777 /nfs/dbraw/zinc/64/27/77/521642777.db2.gz IPKMCUNPGANCTR-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[NH+](CCC)C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052416873 521647941 /nfs/dbraw/zinc/64/79/41/521647941.db2.gz UETDTVULSJQIGV-JKSUJKDBSA-N 2 0 270.461 2.902 10 0 CFAERP CC[NH+]1CCN(Cc2cc(C[NH2+]C(C)(C)C)oc2C)CC1 ZINC000052422531 521687602 /nfs/dbraw/zinc/68/76/02/521687602.db2.gz MZTJNWTYIAHPLJ-UHFFFAOYSA-N 2 0 293.455 2.614 10 0 CFAERP CC[NH+]1CCN(Cc2cccc(C[NH2+]CC(C)C)c2)CC1 ZINC000052422296 521688615 /nfs/dbraw/zinc/68/86/15/521688615.db2.gz ZSKZGPGGKHYDNK-UHFFFAOYSA-N 2 0 289.467 2.570 10 0 CFAERP C[NH+](C)Cc1ccccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943257 521933468 /nfs/dbraw/zinc/93/34/68/521933468.db2.gz WYDDKJXRKYQUFV-OAHLLOKOSA-N 2 0 289.423 2.609 10 0 CFAERP C[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CCCSC1 ZINC000061571784 521934218 /nfs/dbraw/zinc/93/42/18/521934218.db2.gz BDPIXRMWXGVDGH-OAHLLOKOSA-N 2 0 264.438 2.733 10 0 CFAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cccc(Cl)c2)O1 ZINC000052508247 522058825 /nfs/dbraw/zinc/05/88/25/522058825.db2.gz UKCDSKRBHKCXTL-GJZGRUSLSA-N 2 0 282.815 2.539 10 0 CFAERP COC1CC[NH+](Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052455293 522703636 /nfs/dbraw/zinc/70/36/36/522703636.db2.gz YXOKWBJMQZVIPW-UHFFFAOYSA-N 2 0 290.432 2.971 10 0 CFAERP C[N@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231670207 522908139 /nfs/dbraw/zinc/90/81/39/522908139.db2.gz FLFMXNWVKHQXBV-CQSZACIVSA-N 2 0 282.815 2.793 10 0 CFAERP COCc1ccccc1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205659 523102591 /nfs/dbraw/zinc/10/25/91/523102591.db2.gz VCCJMILRDGQEED-KRWDZBQOSA-N 2 0 276.424 2.797 10 0 CFAERP CN(c1ccnc(C[NH2+]C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000051434849 523659165 /nfs/dbraw/zinc/65/91/65/523659165.db2.gz AJHLBJOOQKPRFQ-UHFFFAOYSA-N 2 0 290.455 2.500 10 0 CFAERP C[C@H](CC[NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000049848519 524172148 /nfs/dbraw/zinc/17/21/48/524172148.db2.gz PTANMFLZROGKLT-OAHLLOKOSA-N 2 0 260.425 2.926 10 0 CFAERP C[C@@H]1CCC[N@H+](CCOc2cccc(C[NH3+])c2)[C@@H]1C ZINC000050563644 524229305 /nfs/dbraw/zinc/22/93/05/524229305.db2.gz OGVSHIPYKTUQFG-ZIAGYGMSSA-N 2 0 262.397 2.645 10 0 CFAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(C)(C)CC1 ZINC000061818785 524249730 /nfs/dbraw/zinc/24/97/30/524249730.db2.gz WTLPCBXZKOLFOU-ZDUSSCGKSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@@H]1CCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052375830 524261341 /nfs/dbraw/zinc/26/13/41/524261341.db2.gz YITKUMRWMOLXOH-LLVKDONJSA-N 2 0 251.374 2.547 10 0 CFAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(C)(C)CC1 ZINC000061818763 524267661 /nfs/dbraw/zinc/26/76/61/524267661.db2.gz LIDLQHINBYORNB-ZDUSSCGKSA-N 2 0 289.423 2.594 10 0 CFAERP C[C@H](C[NH+]1CCCCC1)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049502325 524336921 /nfs/dbraw/zinc/33/69/21/524336921.db2.gz GYVKMVXMSPYBQX-LLVKDONJSA-N 2 0 276.359 2.805 10 0 CFAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000310007034 524455253 /nfs/dbraw/zinc/45/52/53/524455253.db2.gz IFFDQCQIDQEPMN-HOTGVXAUSA-N 2 0 277.456 2.614 10 0 CFAERP C[C@H](Cc1ccco1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197394 524742429 /nfs/dbraw/zinc/74/24/29/524742429.db2.gz GICGUIMPDVSLLZ-CZUORRHYSA-N 2 0 262.397 2.675 10 0 CFAERP C[C@H]([NH3+])CCc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049331746 524832135 /nfs/dbraw/zinc/83/21/35/524832135.db2.gz XXHCRYJOORCXOE-HNNXBMFYSA-N 2 0 276.424 2.831 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2[C@H](C)C[NH+]1CCCCC1 ZINC000049502331 526220355 /nfs/dbraw/zinc/22/03/55/526220355.db2.gz OPFFEPTZFXTHSV-CYBMUJFWSA-N 2 0 272.396 2.974 10 0 CFAERP [NH3+]Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000052373073 527253413 /nfs/dbraw/zinc/25/34/13/527253413.db2.gz QLQCEYXBLPNARL-AWEZNQCLSA-N 2 0 256.349 2.728 10 0 CFAERP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000151343406 529178709 /nfs/dbraw/zinc/17/87/09/529178709.db2.gz DCSNXMRMSJWTBO-DLBZAZTESA-N 2 0 282.472 2.782 10 0 CFAERP C[N@H+](CCSc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226466366 545499746 /nfs/dbraw/zinc/49/97/46/545499746.db2.gz CXJDCJAVMPDCOW-AWEZNQCLSA-N 2 0 282.428 2.992 10 0 CFAERP CSC1(C[NH2+]C2CCC([NH3+])CC2)CCCCC1 ZINC000235219475 618211696 /nfs/dbraw/zinc/21/16/96/618211696.db2.gz QSTZEEMFRXDCJM-UHFFFAOYSA-N 2 0 256.459 2.912 10 0 CFAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000261721453 618375564 /nfs/dbraw/zinc/37/55/64/618375564.db2.gz QFHBZQKOLMVNOB-XKQJLSEDSA-N 2 0 281.403 2.712 10 0 CFAERP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261669877 619201675 /nfs/dbraw/zinc/20/16/75/619201675.db2.gz ZVLNZIISFJVPLI-YESZJQIVSA-N 2 0 258.409 2.979 10 0 CFAERP CCCN(c1cc[nH+]c2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071332423 625504063 /nfs/dbraw/zinc/50/40/63/625504063.db2.gz QHXITJYVCFPERS-ZDUSSCGKSA-N 2 0 255.365 2.813 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000250662655 650977695 /nfs/dbraw/zinc/97/76/95/650977695.db2.gz QQCVSWTZPDQKKY-USZNOCQGSA-N 2 0 264.335 2.825 10 0 CFAERP CC[C@@H]1C[NH2+]C[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096950599 185139522 /nfs/dbraw/zinc/13/95/22/185139522.db2.gz RVKLADLAEWNDNI-IAGOWNOFSA-N 2 0 258.409 2.898 10 0 CFAERP CCC1(CC)C[N@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000261997971 282372918 /nfs/dbraw/zinc/37/29/18/282372918.db2.gz SZQRFIUJVHUSIO-CYBMUJFWSA-N 2 0 256.459 2.594 10 0 CFAERP [NH3+]CCC[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC000038978360 346340742 /nfs/dbraw/zinc/34/07/42/346340742.db2.gz HIVAVHZKVPSGJI-UHFFFAOYSA-N 2 0 258.409 2.705 10 0 CFAERP c1ccc2c(CN[C@H]3CC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000111763509 347756175 /nfs/dbraw/zinc/75/61/75/347756175.db2.gz LCENUJXZYOHWDZ-ZWKOTPCHSA-N 2 0 281.403 2.951 10 0 CFAERP C[C@H]([NH3+])c1ccc(C[NH+]2CCC(F)(F)CC2)cc1 ZINC000142162051 347933148 /nfs/dbraw/zinc/93/31/48/347933148.db2.gz CUFTXHOQDQKHPK-NSHDSACASA-N 2 0 254.324 2.937 10 0 CFAERP C[N@H+](CCCN[C@H]1CCC[NH+](C)CC1)Cc1ccccc1 ZINC000086817119 179344659 /nfs/dbraw/zinc/34/46/59/179344659.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 2 0 289.467 2.582 10 0 CFAERP CN(CCC[NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817069 179344872 /nfs/dbraw/zinc/34/48/72/179344872.db2.gz PDUYZEWMDDQMHU-INIZCTEOSA-N 2 0 275.440 2.587 10 0 CFAERP CN(CCC[NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817070 179345021 /nfs/dbraw/zinc/34/50/21/179345021.db2.gz PDUYZEWMDDQMHU-MRXNPFEDSA-N 2 0 275.440 2.587 10 0 CFAERP C[N@H+](CCCN[C@@H]1CCC[NH+](C)CC1)Cc1ccccc1 ZINC000086817120 179345269 /nfs/dbraw/zinc/34/52/69/179345269.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 2 0 289.467 2.582 10 0 CFAERP C[NH+](C)Cc1ccccc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086818563 179347031 /nfs/dbraw/zinc/34/70/31/179347031.db2.gz CMTNIZPPUXMPFD-HNNXBMFYSA-N 2 0 261.413 2.644 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)CSC)CC1 ZINC000086845273 179355730 /nfs/dbraw/zinc/35/57/30/179355730.db2.gz PXTVGDXZSALKTK-KGLIPLIRSA-N 2 0 258.475 2.840 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CC)C2CCCC2)CC1 ZINC000086847027 179356900 /nfs/dbraw/zinc/35/69/00/179356900.db2.gz KKPCIVCPVAGFGT-QGZVFWFLSA-N 2 0 281.488 2.844 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(C)c2)CC1 ZINC000086848352 179357102 /nfs/dbraw/zinc/35/71/02/179357102.db2.gz RILAHTQFEQDYRP-KRWDZBQOSA-N 2 0 275.440 2.635 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000086848154 179357125 /nfs/dbraw/zinc/35/71/25/179357125.db2.gz AMEWFQLAMQXODK-BBWFWOEESA-N 2 0 281.488 2.700 10 0 CFAERP CCN(Cc1cccs1)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847797 179357383 /nfs/dbraw/zinc/35/73/83/179357383.db2.gz RAOZZOSDKBWWLZ-INIZCTEOSA-N 2 0 295.496 2.773 10 0 CFAERP CCCN(C(C)C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846771 179354888 /nfs/dbraw/zinc/35/48/88/179354888.db2.gz HKDNJAKLPDHVHP-INIZCTEOSA-N 2 0 269.477 2.699 10 0 CFAERP CCCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](CCC)CC1 ZINC000086851113 179359915 /nfs/dbraw/zinc/35/99/15/179359915.db2.gz GZAHJBSGLKLFBU-IAGOWNOFSA-N 2 0 281.488 2.715 10 0 CFAERP CCC[N@@H+]1CCC[C@@](CC(=O)OCC)([NH+]2CCCC2)CC1 ZINC000086868525 179360256 /nfs/dbraw/zinc/36/02/56/179360256.db2.gz OUAXFIXISFKESY-QGZVFWFLSA-N 2 0 296.455 2.670 10 0 CFAERP CCOC(=O)C[C@@]1([NH+]2CCCCC2)CCC[N@H+](CC)CC1 ZINC000086868554 179360912 /nfs/dbraw/zinc/36/09/12/179360912.db2.gz DGAIZCVHKYTSJB-QGZVFWFLSA-N 2 0 296.455 2.670 10 0 CFAERP C[NH2+]CC[C@H]1CCCCN1[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086851258 179359000 /nfs/dbraw/zinc/35/90/00/179359000.db2.gz IJZONXVNHSBDCF-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CC(C)[NH2+]CC[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000725269135 539626169 /nfs/dbraw/zinc/62/61/69/539626169.db2.gz LZBNKGURMGEKPS-VIFPVBQESA-N 2 0 291.258 2.941 10 0 CFAERP Cc1[nH+]ccc(N2CC[C@H]([NH3+])C(C)(C)C2)c1Cl ZINC000261542466 302709892 /nfs/dbraw/zinc/70/98/92/302709892.db2.gz CGDVTTBCPHZZSN-NSHDSACASA-N 2 0 253.777 2.607 10 0 CFAERP Cc1c(C)c(C[NH2+]CCCCCC[NH3+])ccc1O ZINC000033608325 372498221 /nfs/dbraw/zinc/49/82/21/372498221.db2.gz KKZDQRAGHCFCAC-UHFFFAOYSA-N 2 0 250.386 2.618 10 0 CFAERP CCC[C@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)[NH+](C)C ZINC000092229115 375097722 /nfs/dbraw/zinc/09/77/22/375097722.db2.gz WOHGLTXAZOKDCG-MRXNPFEDSA-N 2 0 291.439 2.725 10 0 CFAERP Cc1cc(NCC[C@@H]2CC[NH2+]C2)c2ccccc2[nH+]1 ZINC000110798663 375832144 /nfs/dbraw/zinc/83/21/44/375832144.db2.gz NSICKDOFAHKYGW-ZDUSSCGKSA-N 2 0 255.365 2.955 10 0 CFAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261507925 190040256 /nfs/dbraw/zinc/04/02/56/190040256.db2.gz NWKPTWWOFZVAAU-WCQYABFASA-N 2 0 272.314 2.527 10 0 CFAERP Cc1ccsc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121109487 376761443 /nfs/dbraw/zinc/76/14/43/376761443.db2.gz WDRNJZKPZKVZFE-AWEZNQCLSA-N 2 0 296.480 2.581 10 0 CFAERP CC(C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180142484 380624303 /nfs/dbraw/zinc/62/43/03/380624303.db2.gz PMKTVCDTWMKLPC-ALOPSCKCSA-N 2 0 288.435 2.543 10 0 CFAERP COc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000380196548 382510743 /nfs/dbraw/zinc/51/07/43/382510743.db2.gz DVXQROPMOUZZCD-CSMYWGQOSA-N 2 0 274.408 2.599 10 0 CFAERP CCC[NH2+][C@](C)(CO)CCCC[NH+]1CCC(C)CC1 ZINC000085217859 184605673 /nfs/dbraw/zinc/60/56/73/184605673.db2.gz XYJJLCHQHHMYDQ-INIZCTEOSA-N 2 0 270.461 2.639 10 0 CFAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)C1CCCCC1 ZINC000386079405 382582272 /nfs/dbraw/zinc/58/22/72/382582272.db2.gz BOCUVUBUSYYCFE-HYVNUMGLSA-N 2 0 282.472 2.828 10 0 CFAERP [NH3+]CCC[C@H]([NH3+])c1c(Cl)ccc(Cl)c1F ZINC000575437958 382771223 /nfs/dbraw/zinc/77/12/23/382771223.db2.gz DGPURXFJTOQRKN-QMMMGPOBSA-N 2 0 251.132 2.871 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000575439499 382771530 /nfs/dbraw/zinc/77/15/30/382771530.db2.gz BNVHREXZRZRVCL-NSHDSACASA-N 2 0 275.165 2.717 10 0 CFAERP [NH3+]CCC[C@@H]([NH3+])c1cc(Cl)ccc1Br ZINC000575440105 382771711 /nfs/dbraw/zinc/77/17/11/382771711.db2.gz UXXUNUQFBQKWEL-SNVBAGLBSA-N 2 0 277.593 2.841 10 0 CFAERP Cc1ccc(Br)cc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440133 382771791 /nfs/dbraw/zinc/77/17/91/382771791.db2.gz JKNUTPSVLQGFSS-LBPRGKRZSA-N 2 0 271.202 2.886 10 0 CFAERP CC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)CC(F)(F)F ZINC000575795012 382799215 /nfs/dbraw/zinc/79/92/15/382799215.db2.gz ASAWGCCRWSXBAD-WOPDTQHZSA-N 2 0 266.351 2.943 10 0 CFAERP CN(Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231456236 382865175 /nfs/dbraw/zinc/86/51/75/382865175.db2.gz WYIUQXWCFMZISF-LLVKDONJSA-N 2 0 272.314 2.678 10 0 CFAERP CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249305471 383339376 /nfs/dbraw/zinc/33/93/76/383339376.db2.gz CWIDHPROISBXHH-IRXDYDNUSA-N 2 0 282.472 2.591 10 0 CFAERP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998260 383453654 /nfs/dbraw/zinc/45/36/54/383453654.db2.gz CQDRXPCHCPUHNG-YPMHNXCESA-N 2 0 252.789 2.675 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000261552551 383509547 /nfs/dbraw/zinc/50/95/47/383509547.db2.gz NAMQODWQWBBGNA-IACUBPJLSA-N 2 0 250.773 2.509 10 0 CFAERP CC[NH2+]CC1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000261594531 383523620 /nfs/dbraw/zinc/52/36/20/383523620.db2.gz ZUTVKVVZIPPZGX-UHFFFAOYSA-N 2 0 267.804 2.869 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)C[C@@H]12 ZINC000261624308 383530827 /nfs/dbraw/zinc/53/08/27/383530827.db2.gz VCLIHZFMZQPKPM-MWQQHZPXSA-N 2 0 256.393 2.733 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@H]1c1ccccc1 ZINC000261806236 383564274 /nfs/dbraw/zinc/56/42/74/383564274.db2.gz MDOYPYMDEUZFBF-AEFFLSMTSA-N 2 0 282.387 2.567 10 0 CFAERP CCC[C@](C)([NH3+])C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000262668165 383633756 /nfs/dbraw/zinc/63/37/56/383633756.db2.gz LQOJZJRERYHFAX-WBVHZDCISA-N 2 0 297.487 2.521 10 0 CFAERP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000394019054 260003132 /nfs/dbraw/zinc/00/31/32/260003132.db2.gz HTGXFBFSSRSUIA-XOKHGSTOSA-N 2 0 258.409 2.981 10 0 CFAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381576506 393564624 /nfs/dbraw/zinc/56/46/24/393564624.db2.gz IQVUQDPNRRFWRO-YNEHKIRRSA-N 2 0 260.372 2.871 10 0 CFAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000381618391 393565809 /nfs/dbraw/zinc/56/58/09/393565809.db2.gz QUESBQDAWKDUDF-ZDUSSCGKSA-N 2 0 290.398 2.642 10 0 CFAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381668273 393565849 /nfs/dbraw/zinc/56/58/49/393565849.db2.gz KSQHKVXLXOIRKJ-OLZOCXBDSA-N 2 0 260.372 2.743 10 0 CFAERP Cc1csc([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262063133 393952810 /nfs/dbraw/zinc/95/28/10/393952810.db2.gz RINGHDUCTXKUTL-DZGCQCFKSA-N 2 0 279.453 2.631 10 0 CFAERP Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2[nH+]1 ZINC000174684779 394379375 /nfs/dbraw/zinc/37/93/75/394379375.db2.gz WCOGYUQZUSEIIV-HNNXBMFYSA-N 2 0 299.418 2.802 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@@H]12 ZINC000389222818 397539839 /nfs/dbraw/zinc/53/98/39/397539839.db2.gz WYBLVYSWJKIGBF-USXIJHARSA-N 2 0 256.393 2.733 10 0 CFAERP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400736973 286294647 /nfs/dbraw/zinc/29/46/47/286294647.db2.gz RXCFLXHIOADOMB-RDBSUJKOSA-N 2 0 262.397 2.652 10 0 CFAERP C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccccc1C[NH3+] ZINC000022155367 171361755 /nfs/dbraw/zinc/36/17/55/171361755.db2.gz AANVMEJQNPZUFS-AWEZNQCLSA-N 2 0 289.423 2.738 10 0 CFAERP CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000022156392 171362463 /nfs/dbraw/zinc/36/24/63/171362463.db2.gz PQOHIMQJTHBYAS-ZDUSSCGKSA-N 2 0 277.412 2.594 10 0 CFAERP Cc1cc(C)c([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000022222512 171378937 /nfs/dbraw/zinc/37/89/37/171378937.db2.gz UHOZBUZTQDVOFA-KRWDZBQOSA-N 2 0 289.467 2.638 10 0 CFAERP CC[C@@H](C)C[N@H+](C)CCOc1ccc(C[NH3+])cc1 ZINC000037172384 173005970 /nfs/dbraw/zinc/00/59/70/173005970.db2.gz AGFZFKKUZGKOJZ-CYBMUJFWSA-N 2 0 250.386 2.502 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037220833 173038880 /nfs/dbraw/zinc/03/88/80/173038880.db2.gz HNIQDQPCAOJFPA-SQWLQELKSA-N 2 0 261.413 2.853 10 0 CFAERP CC(C)[N@H+](CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000037299590 173104161 /nfs/dbraw/zinc/10/41/61/173104161.db2.gz WRXMFXMJENKEBF-UHFFFAOYSA-N 2 0 257.381 2.794 10 0 CFAERP CC1(C)CC([NH2+]Cc2ccc3c(c2)OCO3)CC(C)(C)[NH2+]1 ZINC000037301222 173107082 /nfs/dbraw/zinc/10/70/82/173107082.db2.gz IVNJLFOARXHLCG-UHFFFAOYSA-N 2 0 290.407 2.814 10 0 CFAERP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000665283247 414249366 /nfs/dbraw/zinc/24/93/66/414249366.db2.gz JWQIKJWWBFZOBY-VNQPRFMTSA-N 2 0 268.445 2.559 10 0 CFAERP C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000665283758 414253974 /nfs/dbraw/zinc/25/39/74/414253974.db2.gz ULLSLJBBLPAXJI-SMOPSLFNSA-N 2 0 250.430 2.933 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)CC1 ZINC000038028859 174017935 /nfs/dbraw/zinc/01/79/35/174017935.db2.gz FEKDDEAPCQPNIG-SJORKVTESA-N 2 0 295.515 2.961 10 0 CFAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040622787 174356007 /nfs/dbraw/zinc/35/60/07/174356007.db2.gz GXPBACGLQROZAZ-CZUORRHYSA-N 2 0 274.408 2.699 10 0 CFAERP [NH3+]C[C@@H]1CCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693659 174377536 /nfs/dbraw/zinc/37/75/36/174377536.db2.gz URIYLZHXMIWLOY-WMZOPIPTSA-N 2 0 293.499 2.844 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]CCc2ccc(O)cc2)CC1 ZINC000040735938 174389139 /nfs/dbraw/zinc/38/91/39/174389139.db2.gz QNUGKYLAOYFKKV-AWEZNQCLSA-N 2 0 276.424 2.645 10 0 CFAERP C[N@H+](Cc1c[nH]c2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746500 174391512 /nfs/dbraw/zinc/39/15/12/174391512.db2.gz PLYABIKLOAKNLA-YIONKMFJSA-N 2 0 269.392 2.883 10 0 CFAERP CCCN(C1CC[NH+](CCC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747623 174392433 /nfs/dbraw/zinc/39/24/33/174392433.db2.gz BMMLLIKZNZQRAI-BYICEURKSA-N 2 0 293.499 2.856 10 0 CFAERP CC[N@H+](CCOc1ccccc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748218 174393025 /nfs/dbraw/zinc/39/30/25/174393025.db2.gz NWHNCPHLQLVSIJ-SJPCQFCGSA-N 2 0 288.435 2.979 10 0 CFAERP CCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000040750285 174394937 /nfs/dbraw/zinc/39/49/37/174394937.db2.gz OSFKEZNNYWGBAK-YOGCLGLASA-N 2 0 250.411 2.765 10 0 CFAERP CC1CC[NH+](CCC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041092306 174477727 /nfs/dbraw/zinc/47/77/27/174477727.db2.gz RHMHHBGIKAPBLE-XHSDSOJGSA-N 2 0 250.430 2.887 10 0 CFAERP CC(C)C[C@@H](C)[N@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000042562763 174798634 /nfs/dbraw/zinc/79/86/34/174798634.db2.gz JPKQRJWSNSRVOS-OAHLLOKOSA-N 2 0 278.440 2.933 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000042615832 174828991 /nfs/dbraw/zinc/82/89/91/174828991.db2.gz MMRWOAJORFWYSP-MRXNPFEDSA-N 2 0 295.858 2.756 10 0 CFAERP CC[NH+]1CCC(N(C)c2ccccc2[C@@H](C)[NH2+]C)CC1 ZINC000042680169 174834310 /nfs/dbraw/zinc/83/43/10/174834310.db2.gz OCBDIMJXOGJKOK-CQSZACIVSA-N 2 0 275.440 2.888 10 0 CFAERP CC[NH+]1CCC(N(C)c2cccc(Cl)c2C[NH2+]C)CC1 ZINC000042681054 174835745 /nfs/dbraw/zinc/83/57/45/174835745.db2.gz DNQROSDRCBIFMW-UHFFFAOYSA-N 2 0 295.858 2.980 10 0 CFAERP C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC([NH+](C)C)CC1 ZINC000042945329 174920507 /nfs/dbraw/zinc/92/05/07/174920507.db2.gz VDIAOLMZWRJOIX-MLGOLLRUSA-N 2 0 295.858 2.754 10 0 CFAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000043037575 174952177 /nfs/dbraw/zinc/95/21/77/174952177.db2.gz KILZJWZACTYTJE-WMZOPIPTSA-N 2 0 291.483 2.903 10 0 CFAERP C[C@H]([NH3+])[C@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043335502 175011041 /nfs/dbraw/zinc/01/10/41/175011041.db2.gz FVBRCOWVKDNKIC-WMLDXEAASA-N 2 0 291.439 2.618 10 0 CFAERP C[NH+](C)C1CCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390353 175033798 /nfs/dbraw/zinc/03/37/98/175033798.db2.gz LNLNDPWVFGXLLQ-HNNXBMFYSA-N 2 0 299.821 2.505 10 0 CFAERP CC1CCC(C[NH3+])(N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424900 175040283 /nfs/dbraw/zinc/04/02/83/175040283.db2.gz IOJSQWRYGQZLDN-PYBGIAKNSA-N 2 0 266.429 2.537 10 0 CFAERP CC[NH+](CC)CCOc1ccc(CC[NH3+])cc1Cl ZINC000043491055 175057463 /nfs/dbraw/zinc/05/74/63/175057463.db2.gz XVLRKRGKJMXRAD-UHFFFAOYSA-N 2 0 270.804 2.562 10 0 CFAERP CCC[NH+]1CCN([C@H]2CCCCCC[C@@H]2[NH2+]CC)CC1 ZINC000043805501 175107607 /nfs/dbraw/zinc/10/76/07/175107607.db2.gz SBNUOHQXOZFCEN-IRXDYDNUSA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H](c1ccccc1)[C@@H](CC)N1CC[NH+](C)CC1 ZINC000043811067 175110001 /nfs/dbraw/zinc/11/00/01/175110001.db2.gz MMZZCIHYZVLKRV-MSOLQXFVSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810886 175110558 /nfs/dbraw/zinc/11/05/58/175110558.db2.gz QJSGFMGAMRWCML-CRAIPNDOSA-N 2 0 289.467 2.536 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000043814125 175111851 /nfs/dbraw/zinc/11/18/51/175111851.db2.gz CELKJDOIMKNZLW-CYBMUJFWSA-N 2 0 262.397 2.962 10 0 CFAERP CCc1ccc([C@H](CN(C)C2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043815247 175111948 /nfs/dbraw/zinc/11/19/48/175111948.db2.gz ATNNUOOBUKZMDD-SFHVURJKSA-N 2 0 289.467 2.536 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815436 175112125 /nfs/dbraw/zinc/11/21/25/175112125.db2.gz XEKWJFKYVLRXFU-NXHRZFHOSA-N 2 0 295.515 2.959 10 0 CFAERP CC[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000043815297 175112383 /nfs/dbraw/zinc/11/23/83/175112383.db2.gz CGMXXAWARNBSIY-GOSISDBHSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815301 175112562 /nfs/dbraw/zinc/11/25/62/175112562.db2.gz FCILCAZJHYYHHT-MAUKXSAKSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818457 175112765 /nfs/dbraw/zinc/11/27/65/175112765.db2.gz UHRXGCZORFLPFL-ROUUACIJSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CCC)C(C)C)OCCO2 ZINC000043885282 175117069 /nfs/dbraw/zinc/11/70/69/175117069.db2.gz OMOLUNNVKUHNRP-CVEARBPZSA-N 2 0 298.471 2.771 10 0 CFAERP C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCC(OC)CC2)c1 ZINC000043890113 175117669 /nfs/dbraw/zinc/11/76/69/175117669.db2.gz VYZAQRPKHRHLBM-ZDUSSCGKSA-N 2 0 292.423 2.586 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043897106 175119895 /nfs/dbraw/zinc/11/98/95/175119895.db2.gz MCBCPKOYNKXNPN-JKSUJKDBSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897185 175119921 /nfs/dbraw/zinc/11/99/21/175119921.db2.gz FZQQCRKVUGTCJA-BZSNNMDCSA-N 2 0 295.515 2.959 10 0 CFAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccc(C)cc1C ZINC000043897308 175119990 /nfs/dbraw/zinc/11/99/90/175119990.db2.gz DTLZLVJFCYSCKL-GOSISDBHSA-N 2 0 289.467 2.590 10 0 CFAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccc(C)cc1C ZINC000043896953 175120130 /nfs/dbraw/zinc/12/01/30/175120130.db2.gz QPXFNWDKNZUKNH-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000043897002 175120187 /nfs/dbraw/zinc/12/01/87/175120187.db2.gz KQJBPDDCSCIXEZ-ROUUACIJSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897516 175120680 /nfs/dbraw/zinc/12/06/80/175120680.db2.gz ZNHWXAFKUBSEOJ-PVAVHDDUSA-N 2 0 281.488 2.569 10 0 CFAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897559 175120732 /nfs/dbraw/zinc/12/07/32/175120732.db2.gz UWJHBPTZEXAUOV-IRXDYDNUSA-N 2 0 283.504 2.959 10 0 CFAERP CCC[NH2+][C@H]1CCOC[C@@H]1[NH+](CC(C)C)CC(C)C ZINC000043909739 175123135 /nfs/dbraw/zinc/12/31/35/175123135.db2.gz MANAINIJIMGZAR-HOTGVXAUSA-N 2 0 270.461 2.758 10 0 CFAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907695 175123253 /nfs/dbraw/zinc/12/32/53/175123253.db2.gz DGFVVLYPPAWLBV-QZTJIDSGSA-N 2 0 293.499 2.857 10 0 CFAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965442 175126776 /nfs/dbraw/zinc/12/67/76/175126776.db2.gz OTYDREYFEKYNPB-RDJZCZTQSA-N 2 0 289.467 2.752 10 0 CFAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970373 175131566 /nfs/dbraw/zinc/13/15/66/175131566.db2.gz KSDBZNDKJQTAQE-PMPSAXMXSA-N 2 0 270.461 2.758 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970683 175132002 /nfs/dbraw/zinc/13/20/02/175132002.db2.gz BUICHAXRRIEMBM-SJORKVTESA-N 2 0 281.488 2.571 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](CCOC)[C@@H](C)CC ZINC000043973192 175132406 /nfs/dbraw/zinc/13/24/06/175132406.db2.gz QCPXHYHLRSKHBM-RRFJBIMHSA-N 2 0 258.450 2.900 10 0 CFAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)[C@@H]1CCCC[C@@H]1C ZINC000043976827 175132800 /nfs/dbraw/zinc/13/28/00/175132800.db2.gz AFLMEYJXFZQQJT-JJXSEGSLSA-N 2 0 268.445 2.654 10 0 CFAERP CC[NH2+][C@@H](CN(CC[NH+](C)C)CC(C)C)C(C)(C)C ZINC000043982174 175134286 /nfs/dbraw/zinc/13/42/86/175134286.db2.gz UULZAZLPFQPIHE-HNNXBMFYSA-N 2 0 271.493 2.530 10 0 CFAERP Cc1ccc([C@@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000044169874 175148485 /nfs/dbraw/zinc/14/84/85/175148485.db2.gz XFBZEHKYXCEZGT-SFHVURJKSA-N 2 0 290.451 2.610 10 0 CFAERP CCC[NH+]1CCN([C@H](c2ccsc2)[C@H]([NH3+])CC)CC1 ZINC000044418503 175173267 /nfs/dbraw/zinc/17/32/67/175173267.db2.gz PJRWQLCXQQBQSS-HUUCEWRRSA-N 2 0 281.469 2.554 10 0 CFAERP [NH3+]CCC[N@H+](CCOc1ccccc1)C1CCCC1 ZINC000044421440 175173606 /nfs/dbraw/zinc/17/36/06/175173606.db2.gz NOPSLHSODUHPLP-UHFFFAOYSA-N 2 0 262.397 2.659 10 0 CFAERP CCC[NH+]1CCN([C@@H](C[NH3+])C[C@@H](C)c2ccccc2)CC1 ZINC000044427759 175175088 /nfs/dbraw/zinc/17/50/88/175175088.db2.gz NBHUCHRSIJOVLX-SJLPKXTDSA-N 2 0 289.467 2.535 10 0 CFAERP [NH3+]CC1CC[NH+]([C@@H]2CCSc3ccccc32)CC1 ZINC000044512040 175188403 /nfs/dbraw/zinc/18/84/03/175188403.db2.gz FEUAPBHKUQPYHO-CQSZACIVSA-N 2 0 262.422 2.894 10 0 CFAERP COc1cccc(C2CC([NH2+]CC3CC[NH+](C)CC3)C2)c1 ZINC000044516367 175190400 /nfs/dbraw/zinc/19/04/00/175190400.db2.gz OGZFZXQLRFOLPN-UHFFFAOYSA-N 2 0 288.435 2.873 10 0 CFAERP COc1cccc(C[NH2+]CCCC[N@H+](C)C(C)C)c1OC ZINC000044573218 175210460 /nfs/dbraw/zinc/21/04/60/175210460.db2.gz ZWRLYVSSVBUDEI-UHFFFAOYSA-N 2 0 294.439 2.914 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)COCC)CC1 ZINC000044690802 175233364 /nfs/dbraw/zinc/23/33/64/175233364.db2.gz CPQRVYXEOBONMN-KGLIPLIRSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)COCC)C1 ZINC000044690778 175233504 /nfs/dbraw/zinc/23/35/04/175233504.db2.gz SJKIZFIUYPRHAD-RRFJBIMHSA-N 2 0 256.434 2.512 10 0 CFAERP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044747332 175243080 /nfs/dbraw/zinc/24/30/80/175243080.db2.gz FBPSHUPMWPDWEY-ACJLOTCBSA-N 2 0 286.419 2.844 10 0 CFAERP C[N@H+](CCCC(=O)Nc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068469 175300379 /nfs/dbraw/zinc/30/03/79/175300379.db2.gz HCKVCUGQYYVTPL-UHFFFAOYSA-N 2 0 291.439 2.842 10 0 CFAERP CC(C)[NH2+][C@@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371467 175364127 /nfs/dbraw/zinc/36/41/27/175364127.db2.gz RGIRPRLHFMQBNS-KRWDZBQOSA-N 2 0 297.487 2.665 10 0 CFAERP C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1C[NH3+] ZINC000071250300 176095011 /nfs/dbraw/zinc/09/50/11/176095011.db2.gz OKOAGCTWSGBWMP-UHFFFAOYSA-N 2 0 264.369 2.978 10 0 CFAERP C[C@H]([N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+])C(C)(C)C ZINC000071267916 176101834 /nfs/dbraw/zinc/10/18/34/176101834.db2.gz CVNZWKJMONMOIW-JTQLQIEISA-N 2 0 265.376 2.976 10 0 CFAERP C[NH+](C)CC(C)(C)CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268511 176102409 /nfs/dbraw/zinc/10/24/09/176102409.db2.gz KKLUELCGILIRSL-UHFFFAOYSA-N 2 0 263.360 2.554 10 0 CFAERP CC(C)[C@H](C[NH+](C)C)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268924 176102726 /nfs/dbraw/zinc/10/27/26/176102726.db2.gz IPWYHDXSLKFIRW-AWEZNQCLSA-N 2 0 263.360 2.553 10 0 CFAERP CCC[NH2+]CCc1csc(CC[NH+](CC)CC)n1 ZINC000076812008 177104958 /nfs/dbraw/zinc/10/49/58/177104958.db2.gz FUQYOFZVRRKQMJ-UHFFFAOYSA-N 2 0 269.458 2.570 10 0 CFAERP CCC[C@@H](CC[NH3+])CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000079244058 177455384 /nfs/dbraw/zinc/45/53/84/177455384.db2.gz JWFMZPJMNXCFIG-CABCVRRESA-N 2 0 256.434 2.643 10 0 CFAERP c1ccc(COCCCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000390554425 262215702 /nfs/dbraw/zinc/21/57/02/262215702.db2.gz FWSIQDDZGLKAJF-KRWDZBQOSA-N 2 0 276.424 2.715 10 0 CFAERP c1ccc(COc2cccc(C[NH2+]C[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000398325720 270321722 /nfs/dbraw/zinc/32/17/22/270321722.db2.gz FGYYGNZCWUUWPV-GOSISDBHSA-N 2 0 296.414 2.965 10 0 CFAERP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000094075190 276334760 /nfs/dbraw/zinc/33/47/60/276334760.db2.gz BJJNBOVYUOZIJV-UHFFFAOYSA-N 3 0 289.467 2.888 10 0 CFAERP C[NH2+]C[C@@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000040601838 277275928 /nfs/dbraw/zinc/27/59/28/277275928.db2.gz VMSVJDITAPXWIV-AWEZNQCLSA-N 2 0 269.392 2.979 10 0 CFAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000335012982 279258656 /nfs/dbraw/zinc/25/86/56/279258656.db2.gz YFBGVVLEQWNQBL-SJLPKXTDSA-N 2 0 293.499 2.667 10 0 CFAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261624168 281017110 /nfs/dbraw/zinc/01/71/10/281017110.db2.gz VAJWXVLSZRMPEZ-ARLBYUKCSA-N 2 0 262.372 2.946 10 0 CFAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000261552166 289765958 /nfs/dbraw/zinc/76/59/58/289765958.db2.gz VUOIFVANHFUCJV-NWDGAFQWSA-N 2 0 260.372 2.871 10 0 CFAERP CCOCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000573305625 322651470 /nfs/dbraw/zinc/65/14/70/322651470.db2.gz FFPUXHUSOPFWOH-HUUCEWRRSA-N 2 0 276.424 2.701 10 0 CFAERP C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000580999305 325081320 /nfs/dbraw/zinc/08/13/20/325081320.db2.gz NRMRPMVGIPGNKQ-MNOVXSKESA-N 2 0 272.845 2.922 10 0 CFAERP C([NH2+]C1CC1)[C@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425089 518398537 /nfs/dbraw/zinc/39/85/37/518398537.db2.gz JRDRHFJDUGESLT-HZPDHXFCSA-N 2 0 266.429 2.552 10 0 CFAERP CC(C)C[C@@H]1CSC(N[C@H](C)C[NH+]2CCCCC2)=[NH+]1 ZINC000049502362 519275364 /nfs/dbraw/zinc/27/53/64/519275364.db2.gz FQIBQBRLBSLWKF-ZIAGYGMSSA-N 2 0 283.485 2.968 10 0 CFAERP CC(C)CN(CC[NH+](C)C)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052503302 519716068 /nfs/dbraw/zinc/71/60/68/519716068.db2.gz LIXBWTGBBXJACU-OAHLLOKOSA-N 2 0 271.493 2.530 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377166 519746355 /nfs/dbraw/zinc/74/63/55/519746355.db2.gz NTSUFUCDSUYFFV-CVEARBPZSA-N 2 0 268.445 2.512 10 0 CFAERP CC[NH2+]CC1(C[N@H+](C)CC2CCCCC2)CCOCC1 ZINC000052197909 519912157 /nfs/dbraw/zinc/91/21/57/519912157.db2.gz WWWZOAIBWOXPAU-UHFFFAOYSA-N 2 0 282.472 2.905 10 0 CFAERP CCC[NH2+]CCC[C@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503366 519913267 /nfs/dbraw/zinc/91/32/67/519913267.db2.gz CIWLGMIXMITAEQ-INIZCTEOSA-N 2 0 271.493 2.674 10 0 CFAERP CCC[NH2+]CC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372973 519918850 /nfs/dbraw/zinc/91/88/50/519918850.db2.gz VFIPTVQXYZNLPU-CQSZACIVSA-N 2 0 264.413 2.905 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+](CCC)CCC)O1 ZINC000052416856 519925449 /nfs/dbraw/zinc/92/54/49/519925449.db2.gz VWPKIAHARRXNCR-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2CC)O1 ZINC000052447827 519937697 /nfs/dbraw/zinc/93/76/97/519937697.db2.gz RKOQWUZRMOQHOE-ARFHVFGLSA-N 2 0 268.445 2.798 10 0 CFAERP CCCCC[N@H+](C)CC1(C[NH2+]CCC)CCOCC1 ZINC000052181469 520148242 /nfs/dbraw/zinc/14/82/42/520148242.db2.gz RIYNTUNOYYIDLO-UHFFFAOYSA-N 2 0 270.461 2.905 10 0 CFAERP CCCCC[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181471 520149911 /nfs/dbraw/zinc/14/99/11/520149911.db2.gz LNOHWVZOJCWNMO-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP CC[N@H+](C)CCOc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052446103 520240622 /nfs/dbraw/zinc/24/06/22/520240622.db2.gz PCMDYJRROIIKIN-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCCC[N@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052418757 520479533 /nfs/dbraw/zinc/47/95/33/520479533.db2.gz ZGDHTRWCKKEMHN-UHFFFAOYSA-N 2 0 253.390 2.795 10 0 CFAERP CC1CC[NH+](Cc2cc(C[NH2+]C(C)(C)C)no2)CC1 ZINC000052377002 521023469 /nfs/dbraw/zinc/02/34/69/521023469.db2.gz ANWOOFIESBYCHK-UHFFFAOYSA-N 2 0 265.401 2.795 10 0 CFAERP CCC[N@H+](CC)CCOc1ccc(C[NH2+]CC)cc1 ZINC000052448376 521609904 /nfs/dbraw/zinc/60/99/04/521609904.db2.gz DHLJFKJPMIVCJU-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CC[C@@H](C)C[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181448 521969333 /nfs/dbraw/zinc/96/93/33/521969333.db2.gz PSBIHUYZMQIGQV-CQSZACIVSA-N 2 0 268.445 2.513 10 0 CFAERP C[NH2+]Cc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)o1 ZINC000052420871 522106519 /nfs/dbraw/zinc/10/65/19/522106519.db2.gz XDCKUFAJXSTZOJ-VXGBXAGGSA-N 2 0 250.386 2.785 10 0 CFAERP C[NH2+]Cc1cccc(OCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000052381373 522133467 /nfs/dbraw/zinc/13/34/67/522133467.db2.gz QOWARMSAIFJUEP-AWEZNQCLSA-N 2 0 262.397 2.517 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000053011843 519723458 /nfs/dbraw/zinc/72/34/58/519723458.db2.gz QUTPBLAFTJHQKY-HNNXBMFYSA-N 2 0 264.388 2.688 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419394 519723562 /nfs/dbraw/zinc/72/35/62/519723562.db2.gz UVDDONOQOYQGIA-HOTGVXAUSA-N 2 0 268.445 2.797 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CC(C)(C)C)O1 ZINC000052570186 519723852 /nfs/dbraw/zinc/72/38/52/519723852.db2.gz VBDWELGMNCYRHL-UONOGXRCSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374537 519745108 /nfs/dbraw/zinc/74/51/08/519745108.db2.gz QFZOODDRJDNPFM-ZWKOTPCHSA-N 2 0 288.435 2.795 10 0 CFAERP CC(C)C[NH2+]Cc1ccccc1C[NH+]1CCSCC1 ZINC000052443341 519747666 /nfs/dbraw/zinc/74/76/66/519747666.db2.gz GEYMPAUOSTYHQT-UHFFFAOYSA-N 2 0 278.465 2.981 10 0 CFAERP CC(C)C[NH2+]Cc1coc(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000052484546 519748357 /nfs/dbraw/zinc/74/83/57/519748357.db2.gz OBYUIPMHYGWXEL-CYBMUJFWSA-N 2 0 250.386 2.867 10 0 CFAERP CC(C)[C@H]1CN(CCC[NH+](C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000062706029 519826694 /nfs/dbraw/zinc/82/66/94/519826694.db2.gz QKCKXSIUADOUHB-MSOLQXFVSA-N 2 0 289.467 2.609 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000049197580 519847755 /nfs/dbraw/zinc/84/77/55/519847755.db2.gz POQDELDQSMSMGQ-WBVHZDCISA-N 2 0 283.504 2.673 10 0 CFAERP CCC[NH+]1CCN(Cc2ccccc2C[NH2+]C(C)C)CC1 ZINC000052422081 519859282 /nfs/dbraw/zinc/85/92/82/519859282.db2.gz OXCDAIJEFBVQPX-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](CCC)C(C)C)CCOCC1 ZINC000052181407 519910108 /nfs/dbraw/zinc/91/01/08/519910108.db2.gz RPGQSZTUNRKAFF-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417332 519913120 /nfs/dbraw/zinc/91/31/20/519913120.db2.gz IQUKXRLHBPVORV-QGZVFWFLSA-N 2 0 289.467 2.977 10 0 CFAERP CCC[NH2+]CCC[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000052483121 519913146 /nfs/dbraw/zinc/91/31/46/519913146.db2.gz XYJZCEPEJSOLCV-OAHLLOKOSA-N 2 0 263.429 2.724 10 0 CFAERP CCC[NH2+]C[C@H](OCCC[NH+](C)C)c1ccccc1 ZINC000052672709 519933492 /nfs/dbraw/zinc/93/34/92/519933492.db2.gz PHEQJLWGFKCMJO-INIZCTEOSA-N 2 0 264.413 2.696 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2CC)O1 ZINC000052447831 519937887 /nfs/dbraw/zinc/93/78/87/519937887.db2.gz RKOQWUZRMOQHOE-XHSDSOJGSA-N 2 0 268.445 2.798 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416595 519938584 /nfs/dbraw/zinc/93/85/84/519938584.db2.gz UGSXMYQAZNSUGG-HUUCEWRRSA-N 2 0 294.464 2.653 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)Cc2ccccc2)O1 ZINC000052443812 519950759 /nfs/dbraw/zinc/95/07/59/519950759.db2.gz ZCOUURLJQUYKJP-IRXDYDNUSA-N 2 0 276.424 2.666 10 0 CFAERP CCC[NH2+]Cc1ccc(OCC[N@H+](C)CC)cc1 ZINC000052446114 519952750 /nfs/dbraw/zinc/95/27/50/519952750.db2.gz JJSOZFSUSUNEKF-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CCC[NH2+]Cc1ccoc1C[N@H+](CC)[C@H](C)COC ZINC000052504763 519959588 /nfs/dbraw/zinc/95/95/88/519959588.db2.gz DCLRMOSFGQIAKI-CYBMUJFWSA-N 2 0 268.401 2.636 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C(C)(C)C)CC2)O1 ZINC000052373683 519977930 /nfs/dbraw/zinc/97/79/30/519977930.db2.gz JFHJLEHFFAGBRH-CVEARBPZSA-N 2 0 282.472 2.902 10 0 CFAERP CCC[NH2+][C@@H](C)CCC[N@H+](CCOC)CC(C)C ZINC000045602577 519983976 /nfs/dbraw/zinc/98/39/76/519983976.db2.gz OIQFNRUNDFHGNA-HNNXBMFYSA-N 2 0 258.450 2.759 10 0 CFAERP CCC[NH2+][C@@H](C)CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045601844 519985009 /nfs/dbraw/zinc/98/50/09/519985009.db2.gz HMIPLXIAZNCURY-GJZGRUSLSA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH2+]Cc1cc(C[NH+]2CCCCCCC2)on1 ZINC000052424967 519988606 /nfs/dbraw/zinc/98/86/06/519988606.db2.gz STQXWUAHLRCBTH-UHFFFAOYSA-N 2 0 251.374 2.550 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)CC(C)C ZINC000052452646 520008972 /nfs/dbraw/zinc/00/89/72/520008972.db2.gz JFYSAZSYTSAWSU-UHFFFAOYSA-N 2 0 264.413 2.763 10 0 CFAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)[C@H]1CCSC1 ZINC000052453329 520009322 /nfs/dbraw/zinc/00/93/22/520009322.db2.gz AVYHWVBJTUHOQL-HNNXBMFYSA-N 2 0 294.464 2.612 10 0 CFAERP CC[NH2+]Cc1ccoc1C[N@@H+]1CCc2ccccc2C1 ZINC000052419094 520013817 /nfs/dbraw/zinc/01/38/17/520013817.db2.gz DQVOJISTOOTJLW-UHFFFAOYSA-N 2 0 270.376 2.947 10 0 CFAERP CCCCC[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181473 520149569 /nfs/dbraw/zinc/14/95/69/520149569.db2.gz BYCAOROLIPGDDA-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@H+](CC)[C@@H](C)COC ZINC000053871484 520219494 /nfs/dbraw/zinc/21/94/94/520219494.db2.gz SKNDBYPHZUXIPY-JONQDZQNSA-N 2 0 270.461 2.758 10 0 CFAERP CC1(C)CC[NH+](CCC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000061818773 520377812 /nfs/dbraw/zinc/37/78/12/520377812.db2.gz JNCWTNOCSCUGKU-UHFFFAOYSA-N 2 0 289.423 2.596 10 0 CFAERP CCC[C@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181889 521032987 /nfs/dbraw/zinc/03/29/87/521032987.db2.gz DKIILBSTWKNBSK-AWEZNQCLSA-N 2 0 268.445 2.656 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000069380877 521119931 /nfs/dbraw/zinc/11/99/31/521119931.db2.gz HBRHDMUIEGVKGA-INIZCTEOSA-N 2 0 269.477 2.558 10 0 CFAERP CC[N@H+](Cc1cccs1)Cc1occc1C[NH3+] ZINC000052546351 521409630 /nfs/dbraw/zinc/40/96/30/521409630.db2.gz IBTQUTPHMKYVHF-UHFFFAOYSA-N 2 0 250.367 2.822 10 0 CFAERP CCC[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181337 521483876 /nfs/dbraw/zinc/48/38/76/521483876.db2.gz AHOKEBAJZQLJKV-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP CCN1CCC([N@H+](C)CCCC[NH2+]C(C)(C)C)CC1 ZINC000052543937 521560649 /nfs/dbraw/zinc/56/06/49/521560649.db2.gz IPMOXCKGMQBPQI-UHFFFAOYSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH+](CCC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052416783 521647025 /nfs/dbraw/zinc/64/70/25/521647025.db2.gz ODKIXVBVYHIJFG-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443477 521997056 /nfs/dbraw/zinc/99/70/56/521997056.db2.gz DHIALLYVQZEVMV-CQSZACIVSA-N 2 0 295.858 2.850 10 0 CFAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418949 521998955 /nfs/dbraw/zinc/99/89/55/521998955.db2.gz YDZVPNCMAKSGJF-MRXNPFEDSA-N 2 0 275.440 2.505 10 0 CFAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376275 522000053 /nfs/dbraw/zinc/00/00/53/522000053.db2.gz OBMGIJXKEHCKAN-INIZCTEOSA-N 2 0 289.467 2.814 10 0 CFAERP C[NH2+]C[C@H](O[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000061702385 522078155 /nfs/dbraw/zinc/07/81/55/522078155.db2.gz BGHBRXWFFQSDBK-SJORKVTESA-N 2 0 276.424 2.522 10 0 CFAERP CC[C@@H](C)[N@H+](CCOC)Cc1ccccc1C[NH2+]C ZINC000052547447 522092721 /nfs/dbraw/zinc/09/27/21/522092721.db2.gz BGKZKXLTQAYIAI-CQSZACIVSA-N 2 0 264.413 2.653 10 0 CFAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346393 522096917 /nfs/dbraw/zinc/09/69/17/522096917.db2.gz ADVQEQXWYCVPGH-HUUCEWRRSA-N 2 0 282.815 2.539 10 0 CFAERP C[NH2+]Cc1cc(C[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000052419178 522105983 /nfs/dbraw/zinc/10/59/83/522105983.db2.gz PERCONVOPKUQEG-UHFFFAOYSA-N 2 0 270.376 2.866 10 0 CFAERP C[NH2+]Cc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)oc1C ZINC000052420590 522107090 /nfs/dbraw/zinc/10/70/90/522107090.db2.gz FMXDCHJQVUMENX-RYUDHWBXSA-N 2 0 250.386 2.785 10 0 CFAERP C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000052455930 522133041 /nfs/dbraw/zinc/13/30/41/522133041.db2.gz TXFAJYJFHCVSLH-UHFFFAOYSA-N 2 0 258.365 2.939 10 0 CFAERP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481798 522159221 /nfs/dbraw/zinc/15/92/21/522159221.db2.gz HYHYCBLCXLJAIH-UHFFFAOYSA-N 2 0 288.391 2.763 10 0 CFAERP CC[C@@H]([NH3+])c1ccccc1OCCC[NH+]1CCCC1 ZINC000049331760 522655532 /nfs/dbraw/zinc/65/55/32/522655532.db2.gz UULUQDJCLNLPSB-OAHLLOKOSA-N 2 0 262.397 2.961 10 0 CFAERP COC1CC[NH+](Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052455478 522707195 /nfs/dbraw/zinc/70/71/95/522707195.db2.gz YEZFUJZARZQUJD-UHFFFAOYSA-N 2 0 280.412 2.779 10 0 CFAERP CC[C@H]1CCC[N@@H+]1CCOc1ccccc1C[NH2+]C ZINC000052375103 523107432 /nfs/dbraw/zinc/10/74/32/523107432.db2.gz VDTVFLFRBDSZDI-HNNXBMFYSA-N 2 0 262.397 2.659 10 0 CFAERP C[N@H+](Cc1ccc(Cl)cc1)CC1(C[NH3+])CCOCC1 ZINC000052197867 523228193 /nfs/dbraw/zinc/22/81/93/523228193.db2.gz AGZPYXIOHGUUFI-UHFFFAOYSA-N 2 0 282.815 2.527 10 0 CFAERP CC[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])ccc2OC)C1 ZINC000050124917 523253627 /nfs/dbraw/zinc/25/36/27/523253627.db2.gz XJKIMPXFXZLDFI-CYBMUJFWSA-N 2 0 262.397 2.776 10 0 CFAERP CC[C@@H]1CCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052375094 523268449 /nfs/dbraw/zinc/26/84/49/523268449.db2.gz RSGXHJQHXQDORW-CYBMUJFWSA-N 2 0 265.401 2.937 10 0 CFAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCCC[NH2+]CC(C)C ZINC000052570769 523505912 /nfs/dbraw/zinc/50/59/12/523505912.db2.gz CLXZZSVIXMYVTR-LSDHHAIUSA-N 2 0 256.434 2.512 10 0 CFAERP COc1ccc(C[N@H+](C)Cc2cc(F)ccc2C[NH3+])cc1 ZINC000069401303 524006784 /nfs/dbraw/zinc/00/67/84/524006784.db2.gz GUJHBYZMFLSPKX-UHFFFAOYSA-N 2 0 288.366 2.925 10 0 CFAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)[C@@H]1CCSC1 ZINC000052453497 524142700 /nfs/dbraw/zinc/14/27/00/524142700.db2.gz MHPCWGGGCQCSNP-CHWSQXEVSA-N 2 0 258.475 2.981 10 0 CFAERP Cc1ccc(C)c([C@@H]([NH3+])CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC000048927567 524203537 /nfs/dbraw/zinc/20/35/37/524203537.db2.gz KPUYYHXLTWHNJV-KRWDZBQOSA-N 2 0 289.467 2.719 10 0 CFAERP C[C@@H]1CCC[C@@](CNCC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000052205801 524339191 /nfs/dbraw/zinc/33/91/91/524339191.db2.gz AWDWVTMSBAZWDL-FGTMMUONSA-N 2 0 295.515 2.961 10 0 CFAERP Cc1cc(C[N@@H+]2CC[C@@H](C)C2)oc1C[NH2+]C(C)C ZINC000052484768 524704341 /nfs/dbraw/zinc/70/43/41/524704341.db2.gz OGAXITMOKKKFST-GFCCVEGCSA-N 2 0 250.386 2.928 10 0 CFAERP C[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417088 524733096 /nfs/dbraw/zinc/73/30/96/524733096.db2.gz BBMVBJJAYQZOPP-INIZCTEOSA-N 2 0 289.467 2.581 10 0 CFAERP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CC3)cc2)C[C@@H](C)O1 ZINC000052380784 524992550 /nfs/dbraw/zinc/99/25/50/524992550.db2.gz DCLWHUXSKAISBJ-ZIAGYGMSSA-N 2 0 274.408 2.548 10 0 CFAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1c(F)cccc1F ZINC000045663098 525332245 /nfs/dbraw/zinc/33/22/45/525332245.db2.gz PXUUOYJGYAEWJT-NSHDSACASA-N 2 0 256.340 2.957 10 0 CFAERP COc1cccc(C[N@H+](C)Cc2cc(F)ccc2C[NH3+])c1 ZINC000069401309 525913441 /nfs/dbraw/zinc/91/34/41/525913441.db2.gz VEBNRNJHBLRGEG-UHFFFAOYSA-N 2 0 288.366 2.925 10 0 CFAERP [NH3+]C1CCC([NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000051693918 527141592 /nfs/dbraw/zinc/14/15/92/527141592.db2.gz FCEHTXYSAGERQG-UHFFFAOYSA-N 2 0 262.372 2.931 10 0 CFAERP Cc1nc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000396442009 574355258 /nfs/dbraw/zinc/35/52/58/574355258.db2.gz AAGFDMJTAFJNGQ-QWRGUYRKSA-N 2 0 267.442 2.832 10 0 CFAERP C[C@]1(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697416 618285280 /nfs/dbraw/zinc/28/52/80/618285280.db2.gz CAEUMVPNBPGADH-KSZLIROESA-N 2 0 288.435 2.574 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]12 ZINC000261621031 619179010 /nfs/dbraw/zinc/17/90/10/619179010.db2.gz UUTKRDGQVKBBPZ-BFHYXJOUSA-N 2 0 266.335 2.793 10 0 CFAERP CCCC[N@H+](C/C=C\c1ccccc1)C[C@@]1(O)CC[NH2+]C1 ZINC000229944649 623235739 /nfs/dbraw/zinc/23/57/39/623235739.db2.gz KETPQHSSICBLNK-IEODJVTJSA-N 2 0 288.435 2.526 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000089148448 650829062 /nfs/dbraw/zinc/82/90/62/650829062.db2.gz LUMZPMLCUIDXBF-DRCTWCGVSA-N 2 0 254.324 2.743 10 0 CFAERP CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccc(C)cc21 ZINC000082509310 178075188 /nfs/dbraw/zinc/07/51/88/178075188.db2.gz GJRUCBXQAKZOTC-OAHLLOKOSA-N 2 0 274.408 2.893 10 0 CFAERP C[NH+](C)C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127759595 187331024 /nfs/dbraw/zinc/33/10/24/187331024.db2.gz TYHVGNFLVJRTEK-KSZLIROESA-N 2 0 287.451 2.506 10 0 CFAERP CC[C@@H]1C[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096950596 185138779 /nfs/dbraw/zinc/13/87/79/185138779.db2.gz MPQASSNXMCMUHT-MRXNPFEDSA-N 2 0 258.409 2.898 10 0 CFAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000079515495 539427281 /nfs/dbraw/zinc/42/72/81/539427281.db2.gz MRKBWILTGNEOBK-QGZVFWFLSA-N 2 0 289.423 2.609 10 0 CFAERP CCCC[N@H+](CCCC[C@@](C)([NH3+])CO)[C@@H](C)CC ZINC000085261454 178990743 /nfs/dbraw/zinc/99/07/43/178990743.db2.gz NZDJEXOYSZZHPG-LSDHHAIUSA-N 2 0 258.450 2.767 10 0 CFAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085635995 179109223 /nfs/dbraw/zinc/10/92/23/179109223.db2.gz BVTLXIGKCFSFJA-ILXRZTDVSA-N 2 0 280.456 2.652 10 0 CFAERP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000115491980 347780620 /nfs/dbraw/zinc/78/06/20/347780620.db2.gz XWQQHNDVAHVAEZ-SJORKVTESA-N 2 0 270.351 2.752 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000086818885 179347903 /nfs/dbraw/zinc/34/79/03/179347903.db2.gz SZELPUKNGCWNJK-INIZCTEOSA-N 2 0 284.407 2.651 10 0 CFAERP C[N@@H+]1CCC[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000086819051 179348917 /nfs/dbraw/zinc/34/89/17/179348917.db2.gz FXMWOTVWKYKMPW-HNNXBMFYSA-N 2 0 268.351 2.581 10 0 CFAERP C[NH+](C)Cc1cccc(N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086817835 179346106 /nfs/dbraw/zinc/34/61/06/179346106.db2.gz UPPKEAKZNKGOJZ-HNNXBMFYSA-N 2 0 261.413 2.644 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848184 179356420 /nfs/dbraw/zinc/35/64/20/179356420.db2.gz VQJHXIXEKZMLCO-RDJZCZTQSA-N 2 0 283.504 2.946 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)C(CC)CC)CC1 ZINC000086847167 179356818 /nfs/dbraw/zinc/35/68/18/179356818.db2.gz ONTDVKODBJNQHW-MRXNPFEDSA-N 2 0 269.477 2.700 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2ccccc2)CC1 ZINC000086846211 179355713 /nfs/dbraw/zinc/35/57/13/179355713.db2.gz WLXIBONCFCNIMN-QGZVFWFLSA-N 2 0 275.440 2.715 10 0 CFAERP [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000218675891 348167393 /nfs/dbraw/zinc/16/73/93/348167393.db2.gz KDHHKSZMYTUIBM-CYBMUJFWSA-N 2 0 272.314 2.747 10 0 CFAERP [NH3+][C@]12Cc3ccccc3[C@H]1CN(Cc1ccccc1)C2 ZINC000225840929 348180409 /nfs/dbraw/zinc/18/04/09/348180409.db2.gz DDVSAHGGRSVPRQ-MSOLQXFVSA-N 2 0 264.372 2.540 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400400982 348572692 /nfs/dbraw/zinc/57/26/92/348572692.db2.gz KRQFIYCROAAPKA-FIQHERPVSA-N 2 0 264.335 2.695 10 0 CFAERP CCOCC[N@H+](CC)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000104194381 185923927 /nfs/dbraw/zinc/92/39/27/185923927.db2.gz GVYFFMNVQURVGK-GJZGRUSLSA-N 2 0 256.434 2.513 10 0 CFAERP C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CCC[NH+](C)C ZINC000104198092 185926482 /nfs/dbraw/zinc/92/64/82/185926482.db2.gz QVCCLXWPBIHKIZ-WFASDCNBSA-N 2 0 283.847 2.612 10 0 CFAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCCCC1 ZINC000312461804 539861911 /nfs/dbraw/zinc/86/19/11/539861911.db2.gz WAUJTSWHVAVUNG-NVXWUHKLSA-N 2 0 282.472 2.782 10 0 CFAERP CC1CCC(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629667130 354884357 /nfs/dbraw/zinc/88/43/57/354884357.db2.gz RYUTZXVXOUBFDA-STONLHKKSA-N 2 0 250.430 2.744 10 0 CFAERP Cc1[nH+]ccc(N2CCCCC[C@H]([NH3+])C2)c1Cl ZINC000630549948 355108772 /nfs/dbraw/zinc/10/87/72/355108772.db2.gz QZKKFBWDLYUJBZ-NSHDSACASA-N 2 0 253.777 2.751 10 0 CFAERP Cc1cc[nH+]c(NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000630572277 355114656 /nfs/dbraw/zinc/11/46/56/355114656.db2.gz QNWFSJAZSSWWFX-OAHLLOKOSA-N 2 0 255.365 2.762 10 0 CFAERP Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839433 355602952 /nfs/dbraw/zinc/60/29/52/355602952.db2.gz GGTBHWBVUCSIOJ-WFASDCNBSA-N 2 0 269.392 2.570 10 0 CFAERP C[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180144558 189239542 /nfs/dbraw/zinc/23/95/42/189239542.db2.gz QKGVUALAOHDRCH-CCNLRDMRSA-N 2 0 288.435 2.543 10 0 CFAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390914357 540985594 /nfs/dbraw/zinc/98/55/94/540985594.db2.gz SDOBNXXDEYJYOG-VXGBXAGGSA-N 2 0 260.372 2.790 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@H]12 ZINC000311738181 541029455 /nfs/dbraw/zinc/02/94/55/541029455.db2.gz ZXCQKXJVYPNAMJ-BYCMXARLSA-N 2 0 280.412 2.587 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000400649286 299376660 /nfs/dbraw/zinc/37/66/60/299376660.db2.gz PPDBWGQPEPPETD-IRCOFANPSA-N 2 0 264.335 2.838 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CC[NH2+]C1 ZINC000400462979 299380818 /nfs/dbraw/zinc/38/08/18/299380818.db2.gz VEGMTMPYYJGXBK-FIQHERPVSA-N 2 0 264.335 2.695 10 0 CFAERP C[NH+](C)CCCOC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000004217247 371842425 /nfs/dbraw/zinc/84/24/25/371842425.db2.gz GCBWOTFSWXWNDL-UHFFFAOYSA-N 2 0 256.434 2.606 10 0 in-man CFAERP CCc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000124792938 377090219 /nfs/dbraw/zinc/09/02/19/377090219.db2.gz KDRQLJUYMQKFCV-HNNXBMFYSA-N 2 0 299.418 2.564 10 0 CFAERP c1cn(CCC[NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc12 ZINC000133594063 377941944 /nfs/dbraw/zinc/94/19/44/377941944.db2.gz UKWWMSJZHOTYDI-MRXNPFEDSA-N 2 0 271.408 2.763 10 0 CFAERP c1cc(N2CCCCC2)ncc1N[C@H]1CCC[NH2+]CC1 ZINC000133656043 377947494 /nfs/dbraw/zinc/94/74/94/377947494.db2.gz UTDIIMFRNUKMEP-AWEZNQCLSA-N 2 0 274.412 2.626 10 0 CFAERP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000180044799 380613402 /nfs/dbraw/zinc/61/34/02/380613402.db2.gz FYEBBXBAHRZQMB-QZTJIDSGSA-N 2 0 290.451 2.820 10 0 CFAERP C[C@@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400447693 380862282 /nfs/dbraw/zinc/86/22/82/380862282.db2.gz PZDASDNAVAJOTN-WZRBSPASSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400447689 380862451 /nfs/dbraw/zinc/86/24/51/380862451.db2.gz PZDASDNAVAJOTN-NQBHXWOUSA-N 2 0 252.789 2.989 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000400353223 380857181 /nfs/dbraw/zinc/85/71/81/380857181.db2.gz NQOXMEKZOFADNF-CMPLNLGQSA-N 2 0 283.213 2.537 10 0 CFAERP C[C@H]([NH2+]CCCn1ccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400432515 380858567 /nfs/dbraw/zinc/85/85/67/380858567.db2.gz LMQRWRGWYXBPNL-GOEBONIOSA-N 2 0 271.408 2.619 10 0 CFAERP C[C@@H]([NH2+]CCCn1ccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400432518 380859006 /nfs/dbraw/zinc/85/90/06/380859006.db2.gz LMQRWRGWYXBPNL-ZBFHGGJFSA-N 2 0 271.408 2.619 10 0 CFAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000400437138 380859171 /nfs/dbraw/zinc/85/91/71/380859171.db2.gz LOLGZYPXYZWPLE-GMXVVIOVSA-N 2 0 284.350 2.937 10 0 CFAERP C[C@H]([NH2+]CCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400398929 380859425 /nfs/dbraw/zinc/85/94/25/380859425.db2.gz PWJJXBRXCZWDSE-WCQYABFASA-N 2 0 297.240 2.579 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400428540 380860015 /nfs/dbraw/zinc/86/00/15/380860015.db2.gz ZJVBENCXABWMOQ-DRZSPHRISA-N 2 0 252.427 2.575 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000400446980 380861432 /nfs/dbraw/zinc/86/14/32/380861432.db2.gz PVYMNBGCTVKMFK-BDAKNGLRSA-N 2 0 289.242 2.598 10 0 CFAERP Cc1ccc2[nH+]ccc(NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000185502496 381651112 /nfs/dbraw/zinc/65/11/12/381651112.db2.gz IAOBJKXTCOSCIK-HNNXBMFYSA-N 2 0 299.418 2.802 10 0 CFAERP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[NH2+]CC1 ZINC000300280999 382058550 /nfs/dbraw/zinc/05/85/50/382058550.db2.gz YOKDBQMJUITVJA-GJZGRUSLSA-N 2 0 266.429 2.552 10 0 CFAERP [NH3+]CC1(c2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000383425342 382544819 /nfs/dbraw/zinc/54/48/19/382544819.db2.gz RLYVKMUYDNHJJV-UHFFFAOYSA-N 2 0 281.403 2.574 10 0 CFAERP CCCC[NH+](CCCC)CCC[C@](C)(CO)[NH2+]C ZINC000085239370 184607318 /nfs/dbraw/zinc/60/73/18/184607318.db2.gz PAUHSGCIZMJAQC-OAHLLOKOSA-N 2 0 258.450 2.639 10 0 CFAERP CCC[NH2+][C@](C)(CO)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000085239161 184607522 /nfs/dbraw/zinc/60/75/22/184607522.db2.gz VFDLZDPRYOSIEQ-JYJNAYRXSA-N 2 0 270.461 2.780 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1ccccc1Br ZINC000575439901 382771707 /nfs/dbraw/zinc/77/17/07/382771707.db2.gz XUTMRMGNDPMHEB-NSHDSACASA-N 2 0 257.175 2.578 10 0 CFAERP CCC[C@@H]1C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000233305599 382871316 /nfs/dbraw/zinc/87/13/16/382871316.db2.gz YNWRJFLQSHEONA-CZUORRHYSA-N 2 0 259.397 2.829 10 0 CFAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000423097657 383042647 /nfs/dbraw/zinc/04/26/47/383042647.db2.gz JOVJYQFAHWNSQU-LKFLVWNSSA-N 2 0 274.408 2.924 10 0 CFAERP C[C@@H]([NH2+]CCCOC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000520564847 383262957 /nfs/dbraw/zinc/26/29/57/383262957.db2.gz DPYYZIFDWKBJOB-CABCVRRESA-N 2 0 268.445 2.704 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000261564233 383513802 /nfs/dbraw/zinc/51/38/02/383513802.db2.gz XPJIIQSQVFEVIC-KWCYVHTRSA-N 2 0 250.773 2.509 10 0 CFAERP CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261572929 383516135 /nfs/dbraw/zinc/51/61/35/383516135.db2.gz MBPQEHJUSWTSJC-QEJZJMRPSA-N 2 0 262.422 2.578 10 0 CFAERP CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261572928 383516621 /nfs/dbraw/zinc/51/66/21/383516621.db2.gz MBPQEHJUSWTSJC-NWANDNLSSA-N 2 0 262.422 2.578 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)C[C@@H]12 ZINC000261588737 383522433 /nfs/dbraw/zinc/52/24/33/383522433.db2.gz KIKOSWKDRVPLMF-BRWVUGGUSA-N 2 0 256.393 2.733 10 0 CFAERP CCc1csc([C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261961735 383587181 /nfs/dbraw/zinc/58/71/81/383587181.db2.gz HJJJVDPGBCSJPS-CJNGLKHVSA-N 2 0 293.480 2.885 10 0 CFAERP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261986728 383590973 /nfs/dbraw/zinc/59/09/73/383590973.db2.gz RYHGZALTICIBRI-DUVNUKRYSA-N 2 0 262.372 2.557 10 0 CFAERP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c(C)c1 ZINC000262017753 383594486 /nfs/dbraw/zinc/59/44/86/383594486.db2.gz WHNNHSJZMHCHBH-KZNAEPCWSA-N 2 0 288.435 2.550 10 0 CFAERP CCN(C)c1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000262050307 383600107 /nfs/dbraw/zinc/60/01/07/383600107.db2.gz ZOCDRSDRHUVQEO-MRXNPFEDSA-N 2 0 290.455 2.502 10 0 CFAERP COc1ccc(Cl)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000262087874 383603966 /nfs/dbraw/zinc/60/39/66/383603966.db2.gz GJKWMRVZIJTVPX-VZJVUDMVSA-N 2 0 280.799 2.518 10 0 CFAERP Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261787705 383561771 /nfs/dbraw/zinc/56/17/71/383561771.db2.gz OGADVPBCHLDRCK-CVEARBPZSA-N 2 0 260.425 2.857 10 0 CFAERP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000643495103 384661290 /nfs/dbraw/zinc/66/12/90/384661290.db2.gz JGMJHVNYULQNAL-HBNTYKKESA-N 2 0 252.324 2.553 10 0 CFAERP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261940807 289003028 /nfs/dbraw/zinc/00/30/28/289003028.db2.gz MRQGKWSLTZGWGZ-IJLUTSLNSA-N 2 0 264.335 2.649 10 0 CFAERP CC[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381645265 393565774 /nfs/dbraw/zinc/56/57/74/393565774.db2.gz XQVDCAQKSKXTHS-AGIUHOORSA-N 2 0 260.372 2.871 10 0 CFAERP CC[C@H]1CN(c2cc[nH+]c(C)c2Cl)CC[C@@H]1[NH3+] ZINC000383585465 393574750 /nfs/dbraw/zinc/57/47/50/393574750.db2.gz MTJZKZSJPJWSDO-QWRGUYRKSA-N 2 0 253.777 2.607 10 0 CFAERP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)c1C ZINC000045171402 393569866 /nfs/dbraw/zinc/56/98/66/393569866.db2.gz ZOXGKNXTKBCFBQ-IUODEOHRSA-N 2 0 278.444 2.512 10 0 CFAERP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000045171433 393569896 /nfs/dbraw/zinc/56/98/96/393569896.db2.gz IBMUHBJZCRLPCM-DOMZBBRYSA-N 2 0 290.455 2.655 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400725460 393600931 /nfs/dbraw/zinc/60/09/31/393600931.db2.gz PFUSWSRZPMWFEY-GZBFAFLISA-N 2 0 262.397 2.734 10 0 CFAERP C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231460874 393781730 /nfs/dbraw/zinc/78/17/30/393781730.db2.gz QSRQIXTUGASNCO-ZDUSSCGKSA-N 2 0 284.350 2.862 10 0 CFAERP Cc1c[nH+]ccc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261619190 393948948 /nfs/dbraw/zinc/94/89/48/393948948.db2.gz ULTYOKXTZGEKFX-INIZCTEOSA-N 2 0 253.349 2.689 10 0 CFAERP Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)o1 ZINC000036959980 543024626 /nfs/dbraw/zinc/02/46/26/543024626.db2.gz GIPYWHMEJOLKRM-OLZOCXBDSA-N 2 0 250.386 2.969 10 0 CFAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCCCC1 ZINC000384047570 543100829 /nfs/dbraw/zinc/10/08/29/543100829.db2.gz WAUJTSWHVAVUNG-RDJZCZTQSA-N 2 0 282.472 2.782 10 0 CFAERP c1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000133562564 304855410 /nfs/dbraw/zinc/85/54/10/304855410.db2.gz PRSJKXFWJKHMNR-QZTJIDSGSA-N 2 0 287.451 2.555 10 0 CFAERP CC(C)Cc1ccc(OCCC[NH2+]CCC[NH3+])cc1 ZINC000005384338 170092921 /nfs/dbraw/zinc/09/29/21/170092921.db2.gz QWESKZVHMHSIBR-UHFFFAOYSA-N 2 0 264.413 2.592 10 0 CFAERP CC[NH+](CC)CCOc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000019255285 170758486 /nfs/dbraw/zinc/75/84/86/170758486.db2.gz REDXNIMAISPALC-CQSZACIVSA-N 2 0 264.413 2.687 10 0 CFAERP CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022153889 171360586 /nfs/dbraw/zinc/36/05/86/171360586.db2.gz VGOOTXNWYAPONH-CYBMUJFWSA-N 2 0 277.412 2.594 10 0 CFAERP CC[C@H]1CSC(NCC[NH+](C(C)C)C(C)C)=[NH+]1 ZINC000035294337 172105957 /nfs/dbraw/zinc/10/59/57/172105957.db2.gz UHEZCTJGECCSRY-LBPRGKRZSA-N 2 0 257.447 2.576 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210005 173031999 /nfs/dbraw/zinc/03/19/99/173031999.db2.gz KEXWCUKQUWBRQY-TZMCWYRMSA-N 2 0 250.361 2.646 10 0 CFAERP COc1ccc([C@@H]([NH2+]CCC[NH+](C)C)C2CC2)cc1 ZINC000037213679 173034634 /nfs/dbraw/zinc/03/46/34/173034634.db2.gz HRDGMLOXYZLOER-INIZCTEOSA-N 2 0 262.397 2.688 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H]1CC[NH2+]C1 ZINC000656201284 414534658 /nfs/dbraw/zinc/53/46/58/414534658.db2.gz OCXXMWZLGRMGFB-DMDPSCGWSA-N 2 0 260.372 2.788 10 0 CFAERP Cc1cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)cc[nH+]1 ZINC000656609513 414615471 /nfs/dbraw/zinc/61/54/71/414615471.db2.gz UERNFQIUYWFZBC-HNNXBMFYSA-N 2 0 259.397 2.606 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)CC1 ZINC000038028854 174018478 /nfs/dbraw/zinc/01/84/78/174018478.db2.gz BFGMMWABBGFTKK-JKSUJKDBSA-N 2 0 281.488 2.571 10 0 CFAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cc3c(s1)CCC3)C2 ZINC000040625994 174356244 /nfs/dbraw/zinc/35/62/44/174356244.db2.gz ZBAXFTVRWISMSR-AGUYFDCRSA-N 2 0 276.449 2.952 10 0 CFAERP CC[N@H+](CCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748226 174393156 /nfs/dbraw/zinc/39/31/56/174393156.db2.gz IUAOXTYIRIEYDO-XYPWUTKMSA-N 2 0 274.408 2.670 10 0 CFAERP C[C@H](c1c(F)cccc1F)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749311 174393592 /nfs/dbraw/zinc/39/35/92/174393592.db2.gz HYOBPTDQUVUBNP-WAAKLRNESA-N 2 0 266.335 2.980 10 0 CFAERP CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749440 174393672 /nfs/dbraw/zinc/39/36/72/174393672.db2.gz CDPIZZRUGWGYRO-GOOCMWNKSA-N 2 0 260.381 2.539 10 0 CFAERP C[NH+](C)C(C)(C)Cn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041723364 174618417 /nfs/dbraw/zinc/61/84/17/174618417.db2.gz XDIQDSGANAKZMI-CYBMUJFWSA-N 2 0 263.429 2.801 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1cccs1)N1CCC([NH+](C)C)CC1 ZINC000043104396 174969911 /nfs/dbraw/zinc/96/99/11/174969911.db2.gz DSNXBQAGTGSVPT-HIFRSBDPSA-N 2 0 281.469 2.553 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1cccs1)N(C)C1CC[NH+](CC)CC1 ZINC000043106750 174972170 /nfs/dbraw/zinc/97/21/70/174972170.db2.gz RFJMULRSQKCIKG-GOEBONIOSA-N 2 0 295.496 2.943 10 0 CFAERP CCCC[C@H](CC)C[NH+]1CCN(CCCCC[NH3+])CC1 ZINC000043454543 175049936 /nfs/dbraw/zinc/04/99/36/175049936.db2.gz ZXVJOMTZGBFUHP-KRWDZBQOSA-N 2 0 283.504 2.949 10 0 CFAERP C[C@@H](C[C@@H](C[NH3+])N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043534822 175062890 /nfs/dbraw/zinc/06/28/90/175062890.db2.gz QWYVDECDIIHYEG-YJBOKZPZSA-N 2 0 289.467 2.534 10 0 CFAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2c(C)cc(C)cc2C)CC1 ZINC000043805824 175107372 /nfs/dbraw/zinc/10/73/72/175107372.db2.gz OTLFTUOTPWPGLK-KRWDZBQOSA-N 2 0 289.467 2.510 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](CCC)CC1 ZINC000043805616 175107398 /nfs/dbraw/zinc/10/73/98/175107398.db2.gz HPVDIMYXRWTQRE-IAGOWNOFSA-N 2 0 281.488 2.715 10 0 CFAERP CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](CC)CC1 ZINC000043806061 175108706 /nfs/dbraw/zinc/10/87/06/175108706.db2.gz XSMIRBXRPZZKEB-SJLPKXTDSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806024 175108715 /nfs/dbraw/zinc/10/87/15/175108715.db2.gz OFEPYTKDKVLDHZ-BBWFWOEESA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000043811019 175110502 /nfs/dbraw/zinc/11/05/02/175110502.db2.gz AFRWTSFNRVBXLC-SFHVURJKSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@H](CCC)[C@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897561 175120371 /nfs/dbraw/zinc/12/03/71/175120371.db2.gz UWJHBPTZEXAUOV-SJORKVTESA-N 2 0 283.504 2.959 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897514 175120452 /nfs/dbraw/zinc/12/04/52/175120452.db2.gz ZNHWXAFKUBSEOJ-OIISXLGYSA-N 2 0 281.488 2.569 10 0 CFAERP CC[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccccc1C ZINC000043897463 175120633 /nfs/dbraw/zinc/12/06/33/175120633.db2.gz JXOLLGGBOMSONJ-SFHVURJKSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000043897403 175120657 /nfs/dbraw/zinc/12/06/57/175120657.db2.gz SYBPYVWWWMMAJU-GOSISDBHSA-N 2 0 289.467 2.672 10 0 CFAERP CC[NH2+][C@H](CC)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907827 175123204 /nfs/dbraw/zinc/12/32/04/175123204.db2.gz OFEWKFUJARMTEA-NVXWUHKLSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907823 175123277 /nfs/dbraw/zinc/12/32/77/175123277.db2.gz OFEWKFUJARMTEA-WBVHZDCISA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)CCOC)c1 ZINC000043916540 175125462 /nfs/dbraw/zinc/12/54/62/175125462.db2.gz JKMKHBCEMDMJLK-AWEZNQCLSA-N 2 0 294.439 2.834 10 0 CFAERP CCC[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967782 175128875 /nfs/dbraw/zinc/12/88/75/175128875.db2.gz MKVNGTAIWDGWGO-ZWKOTPCHSA-N 2 0 293.499 2.857 10 0 CFAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970689 175131961 /nfs/dbraw/zinc/13/19/61/175131961.db2.gz BUICHAXRRIEMBM-DLBZAZTESA-N 2 0 281.488 2.571 10 0 CFAERP CC[C@H](C)[N@H+](CCOC)[C@@H]1C[C@@H](CC)CC[C@@H]1[NH2+]C ZINC000043973111 175132885 /nfs/dbraw/zinc/13/28/85/175132885.db2.gz CIJBMLYVTZGLEF-YHUYYLMFSA-N 2 0 270.461 2.900 10 0 CFAERP CCC[NH2+][C@H](CN(C)C1CC[NH+](CC)CC1)C(C)(C)C ZINC000043978450 175133626 /nfs/dbraw/zinc/13/36/26/175133626.db2.gz DCKSJUJTFLWYBR-MRXNPFEDSA-N 2 0 283.504 2.817 10 0 CFAERP CC[C@H]([C@H](O)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000044169835 175148345 /nfs/dbraw/zinc/14/83/45/175148345.db2.gz ZGGAGQVFCSNBPE-QZTJIDSGSA-N 2 0 290.451 2.772 10 0 CFAERP CCc1ccc([C@@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000044169784 175148731 /nfs/dbraw/zinc/14/87/31/175148731.db2.gz OYLZTCPQZDNMSA-SFHVURJKSA-N 2 0 290.451 2.556 10 0 CFAERP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000044532874 175196363 /nfs/dbraw/zinc/19/63/63/175196363.db2.gz OMGFDVRIPRUVOR-ZBFHGGJFSA-N 2 0 275.440 2.999 10 0 CFAERP CC(C)C[C@@H]1CSC(NC[C@H]2CCCC[N@@H+]2C)=[NH+]1 ZINC000044563827 175207431 /nfs/dbraw/zinc/20/74/31/175207431.db2.gz FBTFJIXHLHOKDE-CHWSQXEVSA-N 2 0 269.458 2.578 10 0 CFAERP COc1ccc(C[NH2+]CCCC[N@H+](C)C(C)C)c(OC)c1 ZINC000044573226 175210274 /nfs/dbraw/zinc/21/02/74/175210274.db2.gz DXOPTYBAJWTHFO-UHFFFAOYSA-N 2 0 294.439 2.914 10 0 CFAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044746669 175242459 /nfs/dbraw/zinc/24/24/59/175242459.db2.gz CKXPWCCBFXQYMC-INIZCTEOSA-N 2 0 276.424 2.947 10 0 CFAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746668 175242719 /nfs/dbraw/zinc/24/27/19/175242719.db2.gz CKXPWCCBFXQYMC-MRXNPFEDSA-N 2 0 276.424 2.947 10 0 CFAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747325 175243269 /nfs/dbraw/zinc/24/32/69/175243269.db2.gz OPLUBJLDXYTSPT-SUMWQHHRSA-N 2 0 274.408 2.701 10 0 CFAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044995386 175287393 /nfs/dbraw/zinc/28/73/93/175287393.db2.gz RTMMYMAYYXVOPY-HNNXBMFYSA-N 2 0 297.487 2.522 10 0 CFAERP C[N@H+](CCCC(=O)Nc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068507 175299863 /nfs/dbraw/zinc/29/98/63/175299863.db2.gz DFMLLLRGSPIORW-UHFFFAOYSA-N 2 0 291.439 2.842 10 0 CFAERP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000045171895 175320848 /nfs/dbraw/zinc/32/08/48/175320848.db2.gz AXMWLUSIDFOXQS-RJPYNODJSA-N 2 0 290.455 2.560 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)C1CCCCC1 ZINC000045372394 175365039 /nfs/dbraw/zinc/36/50/39/175365039.db2.gz PXWJQYKTGKDLRZ-INIZCTEOSA-N 2 0 284.444 2.702 10 0 CFAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379630 175368223 /nfs/dbraw/zinc/36/82/23/175368223.db2.gz BWZUWKXZIVFWSO-UXLLHSPISA-N 2 0 297.487 2.662 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C(CC)CC ZINC000045391397 175374979 /nfs/dbraw/zinc/37/49/79/175374979.db2.gz CBIFYPHISRIGQI-HNNXBMFYSA-N 2 0 272.433 2.558 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419340 175377989 /nfs/dbraw/zinc/37/79/89/175377989.db2.gz IOULDICSLALUSW-UXLLHSPISA-N 2 0 296.455 2.559 10 0 CFAERP COc1ccc2c(c1)CC[N@@H+](CC[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC000575141525 335072055 /nfs/dbraw/zinc/07/20/55/335072055.db2.gz IPDIIVRZDYCWMI-CZIWCDLHSA-N 2 0 288.435 2.961 10 0 CFAERP CCOc1ccc([C@H](C)[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071142252 176039886 /nfs/dbraw/zinc/03/98/86/176039886.db2.gz KOOYYGUEZQDLIS-UONOGXRCSA-N 2 0 262.397 2.688 10 0 CFAERP CCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267693 176101214 /nfs/dbraw/zinc/10/12/14/176101214.db2.gz DSNHVYLGBACFNI-JTQLQIEISA-N 2 0 251.349 2.730 10 0 CFAERP CC[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267649 176101298 /nfs/dbraw/zinc/10/12/98/176101298.db2.gz REWMPSCYVRKYRR-SNVBAGLBSA-N 2 0 251.349 2.588 10 0 CFAERP CC[C@H]1C[N@H+](CCC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000071401700 176153810 /nfs/dbraw/zinc/15/38/10/176153810.db2.gz ZACSHDZRRXZNSX-HOTGVXAUSA-N 2 0 262.397 2.577 10 0 CFAERP COc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000076519267 177032469 /nfs/dbraw/zinc/03/24/69/177032469.db2.gz FBJRIFDIWHCMFN-INIZCTEOSA-N 2 0 276.424 2.558 10 0 CFAERP COc1ccc([C@H](CC[NH3+])C[NH+]2CCCC2)cc1C ZINC000076676214 177056281 /nfs/dbraw/zinc/05/62/81/177056281.db2.gz TVKQKQQJMXUCPQ-OAHLLOKOSA-N 2 0 262.397 2.532 10 0 CFAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000234802020 522669420 /nfs/dbraw/zinc/66/94/20/522669420.db2.gz CIURXFMMFNGOER-GJZGRUSLSA-N 2 0 264.413 2.708 10 0 CFAERP Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2[nH+]1 ZINC000261825598 274711732 /nfs/dbraw/zinc/71/17/32/274711732.db2.gz UJCCHRKOVIRPDU-DZGCQCFKSA-N 2 0 267.376 2.731 10 0 CFAERP Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H](C[NH+](C)C)C1 ZINC000185300058 281308596 /nfs/dbraw/zinc/30/85/96/281308596.db2.gz XYIQHSZCFOOSKP-HNNXBMFYSA-N 2 0 299.418 2.618 10 0 CFAERP C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000566004158 290340303 /nfs/dbraw/zinc/34/03/03/290340303.db2.gz YKNQHEZOSQSTFJ-XQQFMLRXSA-N 2 0 260.372 2.790 10 0 CFAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000227118657 295251339 /nfs/dbraw/zinc/25/13/39/295251339.db2.gz OOCKYVGIIUAGEP-NWANDNLSSA-N 2 0 260.381 2.617 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000582295403 325193213 /nfs/dbraw/zinc/19/32/13/325193213.db2.gz HFXXHTGOXWWLMF-UBHSHLNASA-N 2 0 266.454 2.965 10 0 CFAERP CC(C)[NH2+]Cc1occc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453283 519730186 /nfs/dbraw/zinc/73/01/86/519730186.db2.gz PTWDGTJWFUWACT-ZDUSSCGKSA-N 2 0 268.426 2.715 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000052478861 519743572 /nfs/dbraw/zinc/74/35/72/519743572.db2.gz IITFECKWHDKYNY-OAHLLOKOSA-N 2 0 263.429 2.928 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197551 519853706 /nfs/dbraw/zinc/85/37/06/519853706.db2.gz MLKPILNWUXIUJS-IKGGRYGDSA-N 2 0 283.504 2.673 10 0 CFAERP CCC1CC[NH+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045428344 519859002 /nfs/dbraw/zinc/85/90/02/519859002.db2.gz MBKOIFXVPPLMOF-QGZVFWFLSA-N 2 0 297.487 2.521 10 0 CFAERP CCC1CC[NH+](Cc2cc(C)c(C[NH2+]C)o2)CC1 ZINC000052370584 519859252 /nfs/dbraw/zinc/85/92/52/519859252.db2.gz GCDVSMWCOWJYJX-UHFFFAOYSA-N 2 0 250.386 2.929 10 0 CFAERP CCCN1CC[NH+]([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052421977 519859786 /nfs/dbraw/zinc/85/97/86/519859786.db2.gz MSQJQRHJEHRBBN-HNNXBMFYSA-N 2 0 269.477 2.571 10 0 CFAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000052483122 519912786 /nfs/dbraw/zinc/91/27/86/519912786.db2.gz XYJZCEPEJSOLCV-HNNXBMFYSA-N 2 0 263.429 2.724 10 0 CFAERP CCC[NH2+]CCC[C@@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503365 519912859 /nfs/dbraw/zinc/91/28/59/519912859.db2.gz CIWLGMIXMITAEQ-MRXNPFEDSA-N 2 0 271.493 2.674 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H](C)CC)O1 ZINC000052454361 519923838 /nfs/dbraw/zinc/92/38/38/519923838.db2.gz NDKBPCPQYHNBLD-SOUVJXGZSA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCC)C(C)C)O1 ZINC000052450564 519927132 /nfs/dbraw/zinc/92/71/32/519927132.db2.gz AQZMWTMDOPDMBF-LSDHHAIUSA-N 2 0 256.434 2.654 10 0 CFAERP CCCCC[N@H+](C)C[C@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052454917 520153377 /nfs/dbraw/zinc/15/33/77/520153377.db2.gz ZNZVGSDQGXIVPM-HUUCEWRRSA-N 2 0 256.434 2.656 10 0 CFAERP CC[C@@H](C)[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)[NH3+])CC1 ZINC000055063949 522129753 /nfs/dbraw/zinc/12/97/53/522129753.db2.gz LDPHONRGMLYGMA-UMVBOHGHSA-N 2 0 281.469 2.553 10 0 CFAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000422807682 533973069 /nfs/dbraw/zinc/97/30/69/533973069.db2.gz PBEYVLDLRRLGDD-UWVGGRQHSA-N 2 0 283.213 2.708 10 0 CFAERP CC(C)(C)[NH2+]Cc1cc(C[NH+]2CCCCCC2)on1 ZINC000052381905 518763236 /nfs/dbraw/zinc/76/32/36/518763236.db2.gz USJCRMFRFDWASP-UHFFFAOYSA-N 2 0 265.401 2.939 10 0 CFAERP CC(C)CCNC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049283832 519655883 /nfs/dbraw/zinc/65/58/83/519655883.db2.gz MCJGDCYAHWYNCZ-UHFFFAOYSA-N 2 0 297.487 2.522 10 0 CFAERP CC(C)C[N@H+](CCN(C)C)[C@H](C)CCC[NH2+]C(C)C ZINC000052503368 519716787 /nfs/dbraw/zinc/71/67/87/519716787.db2.gz WMOAPIVQEWPCMS-MRXNPFEDSA-N 2 0 271.493 2.673 10 0 CFAERP CC(C)C[NH2+]CCCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543373 519743405 /nfs/dbraw/zinc/74/34/05/519743405.db2.gz URNSRFUCDZWDJH-CQSZACIVSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417544 519745164 /nfs/dbraw/zinc/74/51/64/519745164.db2.gz MDTLGPDFWUFLCE-ZWKOTPCHSA-N 2 0 290.451 2.912 10 0 CFAERP CC(C)C[NH2+]Cc1cccc(COCC[NH+](C)C)c1 ZINC000052669522 519747416 /nfs/dbraw/zinc/74/74/16/519747416.db2.gz JQQYBHICDMGHMF-UHFFFAOYSA-N 2 0 264.413 2.510 10 0 CFAERP CCC1CCC([N@H+](C)CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052197837 519853170 /nfs/dbraw/zinc/85/31/70/519853170.db2.gz VJTSYJIGSHQTOE-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CCCC1CC[NH+](Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000050893890 519902172 /nfs/dbraw/zinc/90/21/72/519902172.db2.gz LPXOOTWVJVEXGR-UHFFFAOYSA-N 2 0 259.397 2.983 10 0 CFAERP CCC[NH2+]CC1(CN2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC000051257964 519910728 /nfs/dbraw/zinc/91/07/28/519910728.db2.gz ACFNVRAHLNVONP-UHFFFAOYSA-N 2 0 295.515 2.963 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC)[C@@H](C)CC)CCOCC1 ZINC000052181378 519913154 /nfs/dbraw/zinc/91/31/54/519913154.db2.gz CCKCIRVQYNCCOM-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CCC[NH2+]CCC[C@@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000052510950 519913529 /nfs/dbraw/zinc/91/35/29/519913529.db2.gz RTVZABMWRKUDCE-CABCVRRESA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH2+]CCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443353 519919517 /nfs/dbraw/zinc/91/95/17/519919517.db2.gz QUXJUYFQPPIHFZ-UHFFFAOYSA-N 2 0 295.858 2.852 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C)o2)O1 ZINC000052455901 519936458 /nfs/dbraw/zinc/93/64/58/519936458.db2.gz NDVIVAZXUOPQMO-ZBFHGGJFSA-N 2 0 280.412 2.567 10 0 CFAERP CCC[NH2+]C[C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000053011841 519937124 /nfs/dbraw/zinc/93/71/24/519937124.db2.gz VUBNPSMKBIPINX-OAHLLOKOSA-N 2 0 264.388 2.690 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416597 519938512 /nfs/dbraw/zinc/93/85/12/519938512.db2.gz UGSXMYQAZNSUGG-CABCVRRESA-N 2 0 294.464 2.653 10 0 CFAERP CCC[NH2+]Cc1cc(C[NH+](CCC)CCC)on1 ZINC000052416768 519943949 /nfs/dbraw/zinc/94/39/49/519943949.db2.gz YHUBSQHPXCYWJR-UHFFFAOYSA-N 2 0 253.390 2.796 10 0 CFAERP CCC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000052476663 519949856 /nfs/dbraw/zinc/94/98/56/519949856.db2.gz COXZDSLGDSIZTL-LSDHHAIUSA-N 2 0 276.424 2.795 10 0 CFAERP CCC[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380887 519957077 /nfs/dbraw/zinc/95/70/77/519957077.db2.gz DTZGWDYHBUICAY-HUUCEWRRSA-N 2 0 276.424 2.795 10 0 CFAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C(C)(C)C)CC2)O1 ZINC000052373678 519979047 /nfs/dbraw/zinc/97/90/47/519979047.db2.gz JFHJLEHFFAGBRH-HZPDHXFCSA-N 2 0 282.472 2.902 10 0 CFAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000052419101 519995321 /nfs/dbraw/zinc/99/53/21/519995321.db2.gz CSOQUXDVMRZKCG-UHFFFAOYSA-N 2 0 270.376 2.947 10 0 CFAERP CC[NH2+]Cc1ccccc1C[N@H+](C)CCc1ccccn1 ZINC000052423991 520005566 /nfs/dbraw/zinc/00/55/66/520005566.db2.gz LIYOMAFVTDJLKY-UHFFFAOYSA-N 2 0 283.419 2.866 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[N@H+](C)C(C)C)c1 ZINC000052419593 520007280 /nfs/dbraw/zinc/00/72/80/520007280.db2.gz WIJYZQQQHSNGJL-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CC[NH2+]Cc1occc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420654 520031036 /nfs/dbraw/zinc/03/10/36/520031036.db2.gz AJIXVWDCRVQVGA-CHWSQXEVSA-N 2 0 250.386 2.867 10 0 CFAERP CC[N@H+](C)CCOc1ccccc1C[NH2+]C(C)(C)C ZINC000052446087 520240698 /nfs/dbraw/zinc/24/06/98/520240698.db2.gz BOJOXPBDQQNWQF-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP CCCC[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052417965 520420861 /nfs/dbraw/zinc/42/08/61/520420861.db2.gz PDKFOUFEYOYMFS-UHFFFAOYSA-N 2 0 253.390 2.795 10 0 CFAERP CCCC[N@H+](CC)CC1(C[NH2+]CCC)CCOCC1 ZINC000052180974 520475525 /nfs/dbraw/zinc/47/55/25/520475525.db2.gz OKVYRWURHSBQIA-UHFFFAOYSA-N 2 0 270.461 2.905 10 0 CFAERP CCCC[N@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052418771 520477026 /nfs/dbraw/zinc/47/70/26/520477026.db2.gz JPCUQQSCBRTVKP-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]cc(N)cc1C ZINC000052812321 520631842 /nfs/dbraw/zinc/63/18/42/520631842.db2.gz BXPWQBDTOKOGAW-CYBMUJFWSA-N 2 0 264.417 2.895 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCOCC(F)(F)F ZINC000049310855 520637713 /nfs/dbraw/zinc/63/77/13/520637713.db2.gz RXMMSPQYSLNODL-LBPRGKRZSA-N 2 0 284.366 2.665 10 0 CFAERP CCC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075318 521059878 /nfs/dbraw/zinc/05/98/78/521059878.db2.gz ISWAMIYRAOJQBO-JYJNAYRXSA-N 2 0 269.477 2.569 10 0 CFAERP CC[N@H+](Cc1cc(C[NH2+]C(C)C)co1)[C@@H](C)COC ZINC000052504909 521290130 /nfs/dbraw/zinc/29/01/30/521290130.db2.gz XTVSVFCAUTYWIH-ZDUSSCGKSA-N 2 0 268.401 2.634 10 0 CFAERP CC[N@H+](Cc1cc(C[NH2+]C)no1)C1CCCCC1 ZINC000052420071 521290947 /nfs/dbraw/zinc/29/09/47/521290947.db2.gz NLNFXNQIPBEMBV-UHFFFAOYSA-N 2 0 251.374 2.549 10 0 CFAERP CC[N@H+](Cc1ccccc1)CC1(C[NH2+]C)CCOCC1 ZINC000052181160 521371977 /nfs/dbraw/zinc/37/19/77/521371977.db2.gz NXVZBGATMQDCRB-UHFFFAOYSA-N 2 0 276.424 2.525 10 0 CFAERP CCC(CC)(C[NH2+]C1CC1)C[N@H+](CCOC)C1CC1 ZINC000051253348 521438832 /nfs/dbraw/zinc/43/88/32/521438832.db2.gz KZBUQHDCADEYKP-UHFFFAOYSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[N@H+](C)CCOc1ccc(C[NH2+]CC)cc1 ZINC000052444508 521484419 /nfs/dbraw/zinc/48/44/19/521484419.db2.gz JYRVYGTXSKJAHW-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CCC(CC)[N@H+](CCOC)[C@H](CC)C[NH2+]C(C)C ZINC000052573297 521561297 /nfs/dbraw/zinc/56/12/97/521561297.db2.gz GZVYQJANKZOTDO-OAHLLOKOSA-N 2 0 258.450 2.900 10 0 CFAERP CCC[N@H+](CC1(C[NH2+]CC)CCOCC1)C(C)C ZINC000052181406 521618732 /nfs/dbraw/zinc/61/87/32/521618732.db2.gz STALBRUEAVHDSZ-UHFFFAOYSA-N 2 0 256.434 2.513 10 0 CFAERP C[NH+](C)Cc1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000061571786 521935216 /nfs/dbraw/zinc/93/52/16/521935216.db2.gz BDPIXRMWXGVDGH-HNNXBMFYSA-N 2 0 264.438 2.733 10 0 CFAERP CCc1ccccc1[C@H](C[NH3+])N(C)C1CC[NH+](CC)CC1 ZINC000052203845 521950828 /nfs/dbraw/zinc/95/08/28/521950828.db2.gz KPHCFLWYSULSMY-SFHVURJKSA-N 2 0 289.467 2.665 10 0 CFAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)O1 ZINC000052346394 522058793 /nfs/dbraw/zinc/05/87/93/522058793.db2.gz ADVQEQXWYCVPGH-GJZGRUSLSA-N 2 0 282.815 2.539 10 0 CFAERP C[NH2+]C[C@H](O[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000061702387 522077984 /nfs/dbraw/zinc/07/79/84/522077984.db2.gz BGHBRXWFFQSDBK-IRXDYDNUSA-N 2 0 276.424 2.522 10 0 CFAERP C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000052373066 522116397 /nfs/dbraw/zinc/11/63/97/522116397.db2.gz ZBSSYLSTOWWEFD-HNNXBMFYSA-N 2 0 270.376 2.989 10 0 CFAERP CC[C@@H](C)[NH+]1CCN([C@H](c2cccs2)[C@@H](C)[NH3+])CC1 ZINC000055063952 522131248 /nfs/dbraw/zinc/13/12/48/522131248.db2.gz LDPHONRGMLYGMA-NFAWXSAZSA-N 2 0 281.469 2.553 10 0 CFAERP C[NH2+]Cc1sc2cccc(F)c2c1C[NH+](C)C ZINC000052422656 522168581 /nfs/dbraw/zinc/16/85/81/522168581.db2.gz UAJFKKJLDSOSGX-UHFFFAOYSA-N 2 0 252.358 2.821 10 0 CFAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000234740428 522287756 /nfs/dbraw/zinc/28/77/56/522287756.db2.gz XSWJPHBFWQUQKP-GXTWGEPZSA-N 2 0 268.376 2.539 10 0 CFAERP CC[C@H]([NH3+])Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049334124 522333231 /nfs/dbraw/zinc/33/32/31/522333231.db2.gz BATLVSOGGCBDMT-INIZCTEOSA-N 2 0 276.424 2.831 10 0 CFAERP C[NH2+][C@@H](C)c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049331882 522334971 /nfs/dbraw/zinc/33/49/71/522334971.db2.gz VBHNTTNOEJNHQP-AWEZNQCLSA-N 2 0 262.397 2.832 10 0 CFAERP CC[C@H]1CCC[N@H+](Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052479876 523090663 /nfs/dbraw/zinc/09/06/63/523090663.db2.gz HYXCRVJDYCCUCX-ZDUSSCGKSA-N 2 0 250.386 2.929 10 0 CFAERP C[N@H+](Cc1cc(F)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000231669216 523180021 /nfs/dbraw/zinc/18/00/21/523180021.db2.gz QXGOPGVBHZVTDD-INIZCTEOSA-N 2 0 287.382 2.948 10 0 CFAERP C[N@H+](Cc1ccc(C[NH2+]C2CC2)cc1)[C@@H]1CCSC1 ZINC000052453554 523220431 /nfs/dbraw/zinc/22/04/31/523220431.db2.gz PACNATRHUMIKRU-MRXNPFEDSA-N 2 0 276.449 2.876 10 0 CFAERP CC[C@H]1C[N@H+](CCCCC[NH2+]CC(C)C)CCO1 ZINC000052477309 523274075 /nfs/dbraw/zinc/27/40/75/523274075.db2.gz REKIYJGQKJXPRD-HNNXBMFYSA-N 2 0 256.434 2.513 10 0 CFAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CCc1ccsc1 ZINC000052205945 523798590 /nfs/dbraw/zinc/79/85/90/523798590.db2.gz HALVWOFUDWRWBM-AWEZNQCLSA-N 2 0 252.427 2.755 10 0 CFAERP CC[C@H](C)C[N@H+](C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052454094 523869286 /nfs/dbraw/zinc/86/92/86/523869286.db2.gz OZVKRMKNQWUQFA-LBPRGKRZSA-N 2 0 253.390 2.651 10 0 CFAERP CC[C@H](C)[NH+]1CCN([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055074362 523959505 /nfs/dbraw/zinc/95/95/05/523959505.db2.gz IMGRHKNHNHVSOH-JKSUJKDBSA-N 2 0 269.477 2.569 10 0 CFAERP C[C@H](CC[NH+](C)C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049555367 524170433 /nfs/dbraw/zinc/17/04/33/524170433.db2.gz SEKCNZNXKBXRCA-LLVKDONJSA-N 2 0 258.369 2.569 10 0 CFAERP C[C@@H]1CCC[N@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052180804 524221081 /nfs/dbraw/zinc/22/10/81/524221081.db2.gz JPPKNDIZRGINTG-OAHLLOKOSA-N 2 0 282.472 2.903 10 0 CFAERP C[C@@H](CC[NH2+]C1CC1)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346250 524498672 /nfs/dbraw/zinc/49/86/72/524498672.db2.gz QFJPYSVNEYNBBR-LBPRGKRZSA-N 2 0 250.361 2.788 10 0 CFAERP Cc1cc(C[N@@H+]2CC[C@H](C)C2)oc1C[NH2+]C(C)C ZINC000052484767 524707217 /nfs/dbraw/zinc/70/72/17/524707217.db2.gz OGAXITMOKKKFST-LBPRGKRZSA-N 2 0 250.386 2.928 10 0 CFAERP C[C@@H](Cc1ccco1)[NH2+]CCCC1CC[NH2+]CC1 ZINC000050953479 524927992 /nfs/dbraw/zinc/92/79/92/524927992.db2.gz QBNPLAOSDNREIW-ZDUSSCGKSA-N 2 0 250.386 2.580 10 0 CFAERP Cc1cc([C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C)ccc1F ZINC000050558556 525480853 /nfs/dbraw/zinc/48/08/53/525480853.db2.gz DRAPCELEOGGPDL-QGZVFWFLSA-N 2 0 295.446 2.654 10 0 CFAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[NH+](C3CCCC3)CC2)o1 ZINC000052060423 525786004 /nfs/dbraw/zinc/78/60/04/525786004.db2.gz ODLARILCAAXMBY-RHSMWYFYSA-N 2 0 291.439 2.537 10 0 CFAERP C[C@@H](c1ccc(O)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198129 526061406 /nfs/dbraw/zinc/06/14/06/526061406.db2.gz BPHGOGZPBSDJMX-SUMWQHHRSA-N 2 0 274.408 2.917 10 0 CFAERP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]2)s1 ZINC000049538763 526744777 /nfs/dbraw/zinc/74/47/77/526744777.db2.gz AQJCSEFBHLKNLP-SKDRFNHKSA-N 2 0 253.415 2.553 10 0 CFAERP Cc1oc(C[N@@H+]2CCc3ccccc3C2)cc1C[NH3+] ZINC000052419108 526773656 /nfs/dbraw/zinc/77/36/56/526773656.db2.gz IQQJOHDYUQNPAX-UHFFFAOYSA-N 2 0 256.349 2.605 10 0 CFAERP Cc1occc1C[N@@H+](C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052346580 526826259 /nfs/dbraw/zinc/82/62/59/526826259.db2.gz LXXOQRJIQPCUPB-LBPRGKRZSA-N 2 0 250.386 2.941 10 0 CFAERP [NH3+]C1CCC(C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000050600871 527140644 /nfs/dbraw/zinc/14/06/44/527140644.db2.gz UTIXCSWWRCZVIM-WIHSUSGWSA-N 2 0 258.409 2.993 10 0 CFAERP Nc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000069400471 527482446 /nfs/dbraw/zinc/48/24/46/527482446.db2.gz BIYOUZXPRSJKAK-UHFFFAOYSA-N 2 0 291.414 2.716 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc4ccccc34)C[C@H]12 ZINC000261576892 619172249 /nfs/dbraw/zinc/17/22/49/619172249.db2.gz CJZDMZRBWMBEBS-BYCMXARLSA-N 2 0 256.349 2.602 10 0 CFAERP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261578440 619172904 /nfs/dbraw/zinc/17/29/04/619172904.db2.gz OZDCXKTYZXGMPI-QWRGUYRKSA-N 2 0 264.335 2.649 10 0 CFAERP C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261998013 619361832 /nfs/dbraw/zinc/36/18/32/619361832.db2.gz TTYWOMHDXAOVJY-WMLDXEAASA-N 2 0 276.399 2.789 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000251503820 650989247 /nfs/dbraw/zinc/98/92/47/650989247.db2.gz GMYQVFQKJWFAQQ-BHDSKKPTSA-N 2 0 254.324 2.743 10 0 CFAERP c1ccc(CC[NH+]2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC000096091951 185094643 /nfs/dbraw/zinc/09/46/43/185094643.db2.gz VTMNCXCVXIWWPP-UHFFFAOYSA-N 2 0 258.409 2.695 10 0 CFAERP CC[C@H]1C[NH2+]C[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096950605 185139443 /nfs/dbraw/zinc/13/94/43/185139443.db2.gz RVKLADLAEWNDNI-IRXDYDNUSA-N 2 0 258.409 2.898 10 0 CFAERP CC[NH2+][C@@](C)(CO)CC[NH+]1CCC(CC)(CC)CC1 ZINC000085213562 178978104 /nfs/dbraw/zinc/97/81/04/178978104.db2.gz AZXIUYXZNAPXDU-OAHLLOKOSA-N 2 0 270.461 2.639 10 0 CFAERP C[NH+](C)CCC[NH2+]CCc1ccc(Br)cc1 ZINC000103269942 185823861 /nfs/dbraw/zinc/82/38/61/185823861.db2.gz UIRKIMDOUFYMEC-UHFFFAOYSA-N 2 0 285.229 2.533 10 0 CFAERP c1ccc2c(CN[C@@H]3CC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000111763507 347756343 /nfs/dbraw/zinc/75/63/43/347756343.db2.gz LCENUJXZYOHWDZ-QZTJIDSGSA-N 2 0 281.403 2.951 10 0 CFAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NCC3CCCCC3)c2)C1 ZINC000116602582 347788581 /nfs/dbraw/zinc/78/85/81/347788581.db2.gz VEKBSXAIEYAGSW-HNNXBMFYSA-N 2 0 288.439 2.872 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000086817211 179345329 /nfs/dbraw/zinc/34/53/29/179345329.db2.gz HPEJKIZAKWGUNP-SWLSCSKDSA-N 2 0 250.361 2.961 10 0 CFAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000086847613 179356035 /nfs/dbraw/zinc/35/60/35/179356035.db2.gz WGHWNZCVECGKMY-QGZVFWFLSA-N 2 0 293.455 2.613 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2F)CC1 ZINC000086848382 179357249 /nfs/dbraw/zinc/35/72/49/179357249.db2.gz SLYRLOGOFYGWGK-KRWDZBQOSA-N 2 0 293.430 2.855 10 0 CFAERP Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086843814 179353489 /nfs/dbraw/zinc/35/34/89/179353489.db2.gz YRQLLEOZMVAWRP-MRXNPFEDSA-N 2 0 278.444 2.503 10 0 CFAERP CCOC(=O)C[C@]1([NH+](CC)CC)CCC[N@@H+](C(C)C)CC1 ZINC000086868544 179360305 /nfs/dbraw/zinc/36/03/05/179360305.db2.gz VIXUTIJMTLAAFX-KRWDZBQOSA-N 2 0 298.471 2.915 10 0 CFAERP CCOC(=O)C[C@@]1([NH+]2CCCC2)CCC[N@@H+](C(C)C)CC1 ZINC000086868521 179360437 /nfs/dbraw/zinc/36/04/37/179360437.db2.gz GSTILGKRIJYYQD-QGZVFWFLSA-N 2 0 296.455 2.669 10 0 CFAERP C[N@H+](CCC[NH2+]C[C@H](O)C(C)(C)C)Cc1ccccc1 ZINC000309866603 348407918 /nfs/dbraw/zinc/40/79/18/348407918.db2.gz MVXJMRCFCLRHNK-INIZCTEOSA-N 2 0 278.440 2.505 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC[NH+](C)C ZINC000104195666 185925820 /nfs/dbraw/zinc/92/58/20/185925820.db2.gz QLWYXZAYLYCAFG-GJZGRUSLSA-N 2 0 283.847 2.612 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@@H]12 ZINC000261573521 539672785 /nfs/dbraw/zinc/67/27/85/539672785.db2.gz ASRAULRCPRCDBD-GVDBMIGSSA-N 2 0 256.393 2.733 10 0 CFAERP C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839644 355602934 /nfs/dbraw/zinc/60/29/34/355602934.db2.gz IZFIBHXAXLGEJM-WOPDTQHZSA-N 2 0 252.789 2.928 10 0 CFAERP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841349 355603763 /nfs/dbraw/zinc/60/37/63/355603763.db2.gz JOGNZWSXWXNJOI-JQWIXIFHSA-N 2 0 288.313 2.612 10 0 CFAERP Cc1cc(C)cc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231670096 540238565 /nfs/dbraw/zinc/23/85/65/540238565.db2.gz YRFGQIYDOBBWBP-MRXNPFEDSA-N 2 0 276.424 2.756 10 0 CFAERP C[C@@H]1CCN(c2cc[nH+]c3ccccc32)[C@H](C[NH3+])C1 ZINC000261569057 540704823 /nfs/dbraw/zinc/70/48/23/540704823.db2.gz LYWWOLVAWMGDOV-OLZOCXBDSA-N 2 0 255.365 2.798 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@@H]12 ZINC000311738184 541029302 /nfs/dbraw/zinc/02/93/02/541029302.db2.gz ZXCQKXJVYPNAMJ-KCPJHIHWSA-N 2 0 280.412 2.587 10 0 CFAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000422799605 299394726 /nfs/dbraw/zinc/39/47/26/299394726.db2.gz XQNWFFDBWKLIIN-UVPYHEFZSA-N 2 0 250.430 2.933 10 0 CFAERP C[C@@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)C1C[NH2+]C1 ZINC000422981133 296144661 /nfs/dbraw/zinc/14/46/61/296144661.db2.gz NIQYCANPEGDONU-XALLYKQOSA-N 2 0 262.441 2.789 10 0 CFAERP C[NH+](C)C[C@@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000026992037 372333544 /nfs/dbraw/zinc/33/35/44/372333544.db2.gz MCPTUNSSWLWTGC-SIGVMEELSA-N 2 0 262.441 2.839 10 0 CFAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cncs3)C2)[nH+]1 ZINC000092813082 375160725 /nfs/dbraw/zinc/16/07/25/375160725.db2.gz OEWBCIPULKUMTP-CYBMUJFWSA-N 2 0 288.420 2.781 10 0 CFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCC2CCCC2)CC1 ZINC000120485860 376624876 /nfs/dbraw/zinc/62/48/76/376624876.db2.gz XUVLNCMNPBCPOI-INIZCTEOSA-N 2 0 296.499 2.981 10 0 CFAERP CC(C)(C[NH2+][C@H]1CCC[NH2+]CC1)c1cccs1 ZINC000129319558 377412134 /nfs/dbraw/zinc/41/21/34/377412134.db2.gz IQJKKBADSZDIFM-LBPRGKRZSA-N 2 0 252.427 2.757 10 0 CFAERP Cc1csc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000130932324 377633336 /nfs/dbraw/zinc/63/33/36/377633336.db2.gz AVSXLDJFKKJYBL-ZDUSSCGKSA-N 2 0 288.420 2.781 10 0 CFAERP CC[NH+](CC)[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000133530973 377938536 /nfs/dbraw/zinc/93/85/36/377938536.db2.gz OIYVRLCHUMXZBZ-MSOLQXFVSA-N 2 0 289.467 2.801 10 0 CFAERP CC[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000151928203 378373992 /nfs/dbraw/zinc/37/39/92/378373992.db2.gz NAXSYVZLTBGLPJ-MAUKXSAKSA-N 2 0 290.451 2.820 10 0 CFAERP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400443309 380859656 /nfs/dbraw/zinc/85/96/56/380859656.db2.gz MYPCNWMQNCXDIT-ZYHUDNBSSA-N 2 0 272.314 2.793 10 0 CFAERP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000402537551 380885478 /nfs/dbraw/zinc/88/54/78/380885478.db2.gz CTDPNXKKIZNKMX-GARJFASQSA-N 2 0 252.324 2.553 10 0 CFAERP CCC[NH+]1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000343583126 381815874 /nfs/dbraw/zinc/81/58/74/381815874.db2.gz AMLWAEQSIWECRX-ZIAGYGMSSA-N 2 0 268.445 2.654 10 0 CFAERP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000389910716 382617099 /nfs/dbraw/zinc/61/70/99/382617099.db2.gz JNMNITVUOLLLHG-DOTOQJQBSA-N 2 0 276.424 2.714 10 0 CFAERP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)COCc1ccccc1 ZINC000389946887 382617171 /nfs/dbraw/zinc/61/71/71/382617171.db2.gz QOBCRBNGYJIVEX-RDJZCZTQSA-N 2 0 276.424 2.571 10 0 CFAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000575439474 382771493 /nfs/dbraw/zinc/77/14/93/382771493.db2.gz NGFGALAYVQRQFV-SNVBAGLBSA-N 2 0 277.593 2.841 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(F)c1Br ZINC000575440137 382771806 /nfs/dbraw/zinc/77/18/06/382771806.db2.gz JSKAMMRTRHQTRX-JTQLQIEISA-N 2 0 275.165 2.717 10 0 CFAERP CN(Cc1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC000226451214 382828916 /nfs/dbraw/zinc/82/89/16/382828916.db2.gz NVWLLOZVDUEYQF-NSHDSACASA-N 2 0 254.324 2.539 10 0 CFAERP Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261701737 383545212 /nfs/dbraw/zinc/54/52/12/383545212.db2.gz JUNNYNNTHARTSG-ZBFHGGJFSA-N 2 0 287.432 2.626 10 0 CFAERP CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261539826 383508428 /nfs/dbraw/zinc/50/84/28/383508428.db2.gz BPWDLODGXCRAHU-CYBMUJFWSA-N 2 0 250.411 2.712 10 0 CFAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261624175 383530538 /nfs/dbraw/zinc/53/05/38/383530538.db2.gz VAJWXVLSZRMPEZ-LCGIIJARSA-N 2 0 262.372 2.946 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc4cccnc43)C[C@@H]12 ZINC000261690733 383543846 /nfs/dbraw/zinc/54/38/46/383543846.db2.gz NHZNZTDOLIJRLR-APHBMKBZSA-N 2 0 285.366 2.543 10 0 CFAERP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c(C)c1 ZINC000262017745 383594466 /nfs/dbraw/zinc/59/44/66/383594466.db2.gz WHNNHSJZMHCHBH-KSZLIROESA-N 2 0 288.435 2.550 10 0 CFAERP CC(C)COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000262017605 383595348 /nfs/dbraw/zinc/59/53/48/383595348.db2.gz MWCBEDUNNMBMMA-XJKSGUPXSA-N 2 0 262.397 2.500 10 0 CFAERP Cc1csc([C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262063137 383600804 /nfs/dbraw/zinc/60/08/04/383600804.db2.gz RINGHDUCTXKUTL-HIFRSBDPSA-N 2 0 279.453 2.631 10 0 CFAERP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261776370 383558515 /nfs/dbraw/zinc/55/85/15/383558515.db2.gz PEZIXARNVRFDPK-BHYGNILZSA-N 2 0 274.408 2.643 10 0 CFAERP COc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261792006 383561992 /nfs/dbraw/zinc/56/19/92/383561992.db2.gz LBEGYBSRCLTENT-MSOLQXFVSA-N 2 0 296.414 2.870 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccccc1 ZINC000261822339 383565580 /nfs/dbraw/zinc/56/55/80/383565580.db2.gz YBOFLVGITBNJCO-ZBFHGGJFSA-N 2 0 272.417 2.922 10 0 CFAERP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000262570033 383628094 /nfs/dbraw/zinc/62/80/94/383628094.db2.gz XIHWHMRSTXUQCF-XIRDDKMYSA-N 2 0 297.402 2.819 10 0 CFAERP C[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000643454434 384635752 /nfs/dbraw/zinc/63/57/52/384635752.db2.gz RMSGXNGKHOJTBW-UONOGXRCSA-N 2 0 271.408 2.688 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643458018 384639656 /nfs/dbraw/zinc/63/96/56/384639656.db2.gz NFCPROKXTBFZQA-HLLBOEOZSA-N 2 0 276.424 2.569 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643458019 384639818 /nfs/dbraw/zinc/63/98/18/384639818.db2.gz NFCPROKXTBFZQA-INMHGKMJSA-N 2 0 276.424 2.569 10 0 CFAERP Cc1cc(N2CCC[C@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000044531761 393564567 /nfs/dbraw/zinc/56/45/67/393564567.db2.gz ODMIQRPBBWQNBF-CYBMUJFWSA-N 2 0 255.365 2.718 10 0 CFAERP C[N@H+](C[C@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000381588740 393564940 /nfs/dbraw/zinc/56/49/40/393564940.db2.gz DBOJSESHJYLWEM-OLZOCXBDSA-N 2 0 260.372 2.886 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400725453 393600870 /nfs/dbraw/zinc/60/08/70/393600870.db2.gz PFUSWSRZPMWFEY-GUTXKFCHSA-N 2 0 262.397 2.734 10 0 CFAERP C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231460848 393781688 /nfs/dbraw/zinc/78/16/88/393781688.db2.gz QSRQIXTUGASNCO-CYBMUJFWSA-N 2 0 284.350 2.862 10 0 CFAERP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262050288 393952784 /nfs/dbraw/zinc/95/27/84/393952784.db2.gz ZNTHOUOTADAWTR-INMHGKMJSA-N 2 0 273.424 2.682 10 0 CFAERP C[C@H](c1ccc(Cl)cn1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423510379 394285912 /nfs/dbraw/zinc/28/59/12/394285912.db2.gz NSGKGEXPYZBWAM-JTNHKYCSSA-N 2 0 267.804 2.713 10 0 CFAERP Cc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc2[nH+]1 ZINC000164012811 394369152 /nfs/dbraw/zinc/36/91/52/394369152.db2.gz CURLJGXSNOBPSX-GXTWGEPZSA-N 2 0 269.392 2.964 10 0 CFAERP Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)o1 ZINC000036959979 543024903 /nfs/dbraw/zinc/02/49/03/543024903.db2.gz GIPYWHMEJOLKRM-CHWSQXEVSA-N 2 0 250.386 2.969 10 0 CFAERP Cc1cccc2c(N3CC[C@@H]([NH+]4CC=CC4)C3)cc[nH+]c12 ZINC000301663697 397638984 /nfs/dbraw/zinc/63/89/84/397638984.db2.gz KPBSIXWFMFGXDC-OAHLLOKOSA-N 2 0 279.387 2.994 10 0 CFAERP C[C@H]([NH2+]CC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCC[NH2+]C1 ZINC000578756803 413278652 /nfs/dbraw/zinc/27/86/52/413278652.db2.gz QZNPZFKWVKMDQB-RFBLXINOSA-N 2 0 250.430 2.790 10 0 CFAERP CC1(C)CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000657326339 413449173 /nfs/dbraw/zinc/44/91/73/413449173.db2.gz PCTFHGDALDVWFJ-HZPDHXFCSA-N 2 0 282.472 2.782 10 0 CFAERP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(O)cc2)CC1 ZINC000020189069 171054472 /nfs/dbraw/zinc/05/44/72/171054472.db2.gz YKSQLTFMNHBYGE-ZDUSSCGKSA-N 2 0 262.397 2.916 10 0 CFAERP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365682 171164148 /nfs/dbraw/zinc/16/41/48/171164148.db2.gz WARDVKJRGQMQQW-CABCVRRESA-N 2 0 299.503 2.780 10 0 CFAERP [NH3+]CC[C@@H](COc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000020401991 171182480 /nfs/dbraw/zinc/18/24/80/171182480.db2.gz WPLDAAZZGJLHKG-ZDUSSCGKSA-N 2 0 268.788 2.532 10 0 CFAERP [NH3+]CC[C@H](COc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000020401989 171182529 /nfs/dbraw/zinc/18/25/29/171182529.db2.gz HMIRNOUNOMVEDX-CYBMUJFWSA-N 2 0 268.788 2.532 10 0 CFAERP C[N@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000022161387 171364270 /nfs/dbraw/zinc/36/42/70/171364270.db2.gz XVESNTCVYWKBBX-UHFFFAOYSA-N 2 0 289.423 2.738 10 0 CFAERP C[N@H+](CCC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000022165972 171365679 /nfs/dbraw/zinc/36/56/79/171365679.db2.gz JDIXPGMXIJFEGN-UHFFFAOYSA-N 2 0 289.423 2.738 10 0 CFAERP C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCC[N@H+](C)C1 ZINC000037210075 173031827 /nfs/dbraw/zinc/03/18/27/173031827.db2.gz CGTFUMMFLJYLMM-OLZOCXBDSA-N 2 0 252.427 2.611 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037220146 173038283 /nfs/dbraw/zinc/03/82/83/173038283.db2.gz PNOGSYXPZQLUPS-SQWLQELKSA-N 2 0 261.413 2.853 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)c2ccccn2)CC1 ZINC000037220372 173039359 /nfs/dbraw/zinc/03/93/59/173039359.db2.gz HLJCREXVFMZDQX-ZIAGYGMSSA-N 2 0 261.413 2.853 10 0 CFAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCOC(C)C)C1 ZINC000037221636 173042360 /nfs/dbraw/zinc/04/23/60/173042360.db2.gz PYKZCHZMVXLJJS-HUUCEWRRSA-N 2 0 256.434 2.512 10 0 CFAERP CCC(C)(C)C1CCC([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000037496832 173235740 /nfs/dbraw/zinc/23/57/40/173235740.db2.gz BJRMXEFSZOMEFR-UHFFFAOYSA-N 2 0 295.515 2.818 10 0 CFAERP Cc1c[nH+]ccc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656607733 414614095 /nfs/dbraw/zinc/61/40/95/414614095.db2.gz GBLDCVTZTXSHQN-OAHLLOKOSA-N 2 0 259.397 2.606 10 0 CFAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028856 174018179 /nfs/dbraw/zinc/01/81/79/174018179.db2.gz RSSBVNLIYBXVMA-KURKYZTESA-N 2 0 295.515 2.961 10 0 CFAERP Clc1ccc(CC[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000038040560 174041286 /nfs/dbraw/zinc/04/12/86/174041286.db2.gz GOPAMMKWGKBTHI-UHFFFAOYSA-N 2 0 273.207 2.878 10 0 CFAERP CC[NH+](CC)CCOc1ccc(F)cc1[C@H](C)[NH3+] ZINC000040240016 174212913 /nfs/dbraw/zinc/21/29/13/174212913.db2.gz PJMVPUVXYAESDU-NSHDSACASA-N 2 0 254.349 2.566 10 0 CFAERP C[C@@H]([NH3+])c1cc(F)ccc1OCC[C@@H]1CCC[N@@H+]1C ZINC000040240635 174213629 /nfs/dbraw/zinc/21/36/29/174213629.db2.gz WIJIGWCFQGCJIY-YPMHNXCESA-N 2 0 266.360 2.709 10 0 CFAERP C[NH+](C)CCCn1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000040404419 174253681 /nfs/dbraw/zinc/25/36/81/174253681.db2.gz JGTBXLGJEJLFKQ-UHFFFAOYSA-N 2 0 294.830 2.533 10 0 CFAERP CCCCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000040506729 174302120 /nfs/dbraw/zinc/30/21/20/174302120.db2.gz UZJCJUWZDWTZHA-LSDHHAIUSA-N 2 0 256.434 2.513 10 0 CFAERP COc1ccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000040749184 174393482 /nfs/dbraw/zinc/39/34/82/174393482.db2.gz YYGHXTWJHRKNCK-PRTUASRFSA-N 2 0 290.407 2.719 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Br)c1 ZINC000040749248 174393498 /nfs/dbraw/zinc/39/34/98/174393498.db2.gz ZQKABWHXQUPSTE-AGUYFDCRSA-N 2 0 295.224 2.903 10 0 CFAERP C[C@@H](c1c(F)cccc1F)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749310 174393751 /nfs/dbraw/zinc/39/37/51/174393751.db2.gz HYOBPTDQUVUBNP-YEJSDXFRSA-N 2 0 266.335 2.980 10 0 CFAERP CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749258 174394002 /nfs/dbraw/zinc/39/40/02/174394002.db2.gz ZPZITLKCJRATLB-GOOCMWNKSA-N 2 0 260.381 2.539 10 0 CFAERP C[C@H](CCc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749033 174394160 /nfs/dbraw/zinc/39/41/60/174394160.db2.gz SSYOYMBBUCDKDE-HZTRTUMWSA-N 2 0 258.409 2.962 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]CCN2CCCCCC2)CC1 ZINC000040767736 174398352 /nfs/dbraw/zinc/39/83/52/174398352.db2.gz YAHZZLYMQLQKAZ-INIZCTEOSA-N 2 0 281.488 2.572 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c2ccccc21 ZINC000041721461 174618148 /nfs/dbraw/zinc/61/81/48/174618148.db2.gz ICIDSELRZGDIPA-YHWZYXNKSA-N 2 0 253.349 2.693 10 0 CFAERP C[C@@H](c1cccc(N)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042390889 174706319 /nfs/dbraw/zinc/70/63/19/174706319.db2.gz JQPAOCPBTOKAEJ-ZDUSSCGKSA-N 2 0 261.413 2.603 10 0 CFAERP CC[C@H](CC(N)=[NH2+])[N@H+](Cc1cccs1)C1CC1 ZINC000042516059 174767127 /nfs/dbraw/zinc/76/71/27/174767127.db2.gz FMQPEDQDYJIJFX-SNVBAGLBSA-N 2 0 251.399 2.817 10 0 CFAERP CC[NH+]1CCC(N(C)[C@H](c2cccc(C)c2)[C@@H](C)[NH3+])CC1 ZINC000042967644 174931931 /nfs/dbraw/zinc/93/19/31/174931931.db2.gz ZKTKCMQNGMCRHW-QAPCUYQASA-N 2 0 289.467 2.799 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N1CCC([NH+](C)C)CC1 ZINC000043043852 174955622 /nfs/dbraw/zinc/95/56/22/174955622.db2.gz PJYGCNKTNODMQQ-IAGOWNOFSA-N 2 0 293.430 2.630 10 0 CFAERP Cc1cc(C)cc([C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C)c1 ZINC000043394531 175035083 /nfs/dbraw/zinc/03/50/83/175035083.db2.gz IEAULNTZUBFWBV-GOSISDBHSA-N 2 0 291.483 2.823 10 0 CFAERP COc1cccc(C[N@H+](CCC[NH3+])CC(C)C)c1 ZINC000043417532 175038159 /nfs/dbraw/zinc/03/81/59/175038159.db2.gz MBUYXKLBDLCUIP-UHFFFAOYSA-N 2 0 250.386 2.502 10 0 CFAERP CCCC[C@@H](CC)C[NH+]1CCN(CCCC[NH3+])CC1 ZINC000043454523 175049876 /nfs/dbraw/zinc/04/98/76/175049876.db2.gz FFEGKQKARHNAHY-MRXNPFEDSA-N 2 0 269.477 2.559 10 0 CFAERP CCOC(=O)C[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000043618120 175080550 /nfs/dbraw/zinc/08/05/50/175080550.db2.gz GAEOQAKCTHLZKL-AWEZNQCLSA-N 2 0 284.444 2.572 10 0 CFAERP CCC[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](CC)CC1 ZINC000043806165 175108543 /nfs/dbraw/zinc/10/85/43/175108543.db2.gz STGMPLZMAHJTOU-WMZOPIPTSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043809135 175109426 /nfs/dbraw/zinc/10/94/26/175109426.db2.gz YHPFUHVXJUCMHD-GFCCVEGCSA-N 2 0 250.386 2.817 10 0 CFAERP CCCc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+]CC)cc1 ZINC000043810820 175110396 /nfs/dbraw/zinc/11/03/96/175110396.db2.gz APTFTVXZOIPSRR-SFHVURJKSA-N 2 0 289.467 2.537 10 0 CFAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815229 175111732 /nfs/dbraw/zinc/11/17/32/175111732.db2.gz JCBWBCVVVFQIRG-MAUKXSAKSA-N 2 0 289.467 2.670 10 0 CFAERP CCCc1ccc([C@H](CN2CCC[N@H+](C)CC2)[NH2+]C)cc1 ZINC000043818185 175112826 /nfs/dbraw/zinc/11/28/26/175112826.db2.gz REJFFFDQDUOQET-SFHVURJKSA-N 2 0 289.467 2.537 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)C2CC2)c1 ZINC000043823428 175114508 /nfs/dbraw/zinc/11/45/08/175114508.db2.gz AWJNRLQXPOWEOM-LBPRGKRZSA-N 2 0 262.397 2.960 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)CC(C)C)OCCO2 ZINC000043888383 175117376 /nfs/dbraw/zinc/11/73/76/175117376.db2.gz CLOHWVKSNVUOJZ-JKSUJKDBSA-N 2 0 298.471 2.628 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)CC(C)C)OCCO2 ZINC000043888377 175117420 /nfs/dbraw/zinc/11/74/20/175117420.db2.gz CLOHWVKSNVUOJZ-HOTGVXAUSA-N 2 0 298.471 2.628 10 0 CFAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897525 175120444 /nfs/dbraw/zinc/12/04/44/175120444.db2.gz ZTSKSTUEOJCDSE-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897435 175120456 /nfs/dbraw/zinc/12/04/56/175120456.db2.gz KDGDWSSUNMLANS-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897405 175120701 /nfs/dbraw/zinc/12/07/01/175120701.db2.gz NBZDPYPMTPMFPT-CRAIPNDOSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904903 175122460 /nfs/dbraw/zinc/12/24/60/175122460.db2.gz VCSJXSGLFIJAGM-HRCADAONSA-N 2 0 296.455 2.525 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000043902845 175122716 /nfs/dbraw/zinc/12/27/16/175122716.db2.gz PTFZHXAMSFHXBE-QWHCGFSZSA-N 2 0 262.397 2.960 10 0 CFAERP CCC[NH2+][C@@H](C)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000043907930 175123488 /nfs/dbraw/zinc/12/34/88/175123488.db2.gz OJVBLONHDUPFGK-INIZCTEOSA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965672 175127071 /nfs/dbraw/zinc/12/70/71/175127071.db2.gz WWTXCSTWIVOAJY-IKGGRYGDSA-N 2 0 295.515 2.959 10 0 CFAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965477 175127129 /nfs/dbraw/zinc/12/71/29/175127129.db2.gz BIHSFGNXEQOOLX-JKSUJKDBSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965716 175127472 /nfs/dbraw/zinc/12/74/72/175127472.db2.gz ZXOIDKOYNOQZJX-HZPDHXFCSA-N 2 0 281.488 2.713 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967667 175129189 /nfs/dbraw/zinc/12/91/89/175129189.db2.gz FNHSDOQPAUSLIB-YJBOKZPZSA-N 2 0 287.451 2.506 10 0 CFAERP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970445 175131359 /nfs/dbraw/zinc/13/13/59/175131359.db2.gz PDHALOTXUARYMX-LSDHHAIUSA-N 2 0 256.434 2.512 10 0 CFAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970582 175131772 /nfs/dbraw/zinc/13/17/72/175131772.db2.gz UGZVAQOPDJEDCA-SJORKVTESA-N 2 0 281.488 2.571 10 0 CFAERP CCC(CC)[N@H+](CCOC)[C@H]1CCCC[C@@H]1[NH2+]C ZINC000043977023 175133301 /nfs/dbraw/zinc/13/33/01/175133301.db2.gz YMCLIGFRARCTDS-GJZGRUSLSA-N 2 0 256.434 2.654 10 0 CFAERP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977833 175133311 /nfs/dbraw/zinc/13/33/11/175133311.db2.gz DHJHHMRYFIUIPU-IMJJTQAJSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000043978353 175133337 /nfs/dbraw/zinc/13/33/37/175133337.db2.gz GWIFNDZWANLWQK-SJORKVTESA-N 2 0 283.504 2.959 10 0 CFAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000043978117 175133456 /nfs/dbraw/zinc/13/34/56/175133456.db2.gz QRQWVALVGYGAMM-HZPDHXFCSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978430 175133635 /nfs/dbraw/zinc/13/36/35/175133635.db2.gz SSWFHDOMWLMYDH-SZMVWBNQSA-N 2 0 295.515 2.959 10 0 CFAERP CC[C@@H]([C@H](O)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000044169830 175148858 /nfs/dbraw/zinc/14/88/58/175148858.db2.gz ZGGAGQVFCSNBPE-ZWKOTPCHSA-N 2 0 290.451 2.772 10 0 CFAERP CCC[NH+]1CCN([C@H](c2ccc(C)cc2)[C@@H]([NH3+])CC)CC1 ZINC000044418392 175173143 /nfs/dbraw/zinc/17/31/43/175173143.db2.gz PQKMBBKJIXXVBP-ZWKOTPCHSA-N 2 0 289.467 2.801 10 0 CFAERP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000044532876 175196215 /nfs/dbraw/zinc/19/62/15/175196215.db2.gz OMGFDVRIPRUVOR-HOCLYGCPSA-N 2 0 275.440 2.999 10 0 CFAERP CC(=O)Nc1ccc(C[NH2+]CCCC[N@@H+](C)C(C)C)cc1 ZINC000044573178 175210456 /nfs/dbraw/zinc/21/04/56/175210456.db2.gz IPOWDUARWKQBQA-UHFFFAOYSA-N 2 0 291.439 2.855 10 0 CFAERP C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000044674963 175226987 /nfs/dbraw/zinc/22/69/87/175226987.db2.gz BYKHQDVLMGTJNZ-MWQQHZPXSA-N 2 0 258.409 2.862 10 0 CFAERP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@H]2c2ccccc2)cc1 ZINC000044675808 175226994 /nfs/dbraw/zinc/22/69/94/175226994.db2.gz VFGCCBIYIWUBEJ-IRXDYDNUSA-N 2 0 252.361 2.791 10 0 CFAERP CC[NH2+][C@H]1CCCc2cc(OCC[NH+](C)C)ccc21 ZINC000044745632 175241986 /nfs/dbraw/zinc/24/19/86/175241986.db2.gz RHTVFWQRXBYEIH-INIZCTEOSA-N 2 0 262.397 2.614 10 0 CFAERP Oc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044747333 175242973 /nfs/dbraw/zinc/24/29/73/175242973.db2.gz FBPSHUPMWPDWEY-FZKQIMNGSA-N 2 0 286.419 2.844 10 0 CFAERP C[C@H](Cn1c(N)[nH+]c2cc(F)ccc21)[NH+]1CCCCC1 ZINC000045005558 175288284 /nfs/dbraw/zinc/28/82/84/175288284.db2.gz RDIVHINZFUFKAH-LLVKDONJSA-N 2 0 276.359 2.632 10 0 CFAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CC)CC2)c1C ZINC000045172714 175321743 /nfs/dbraw/zinc/32/17/43/175321743.db2.gz IMBURZMSIYHQAO-CYBMUJFWSA-N 2 0 292.471 2.902 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379623 175367986 /nfs/dbraw/zinc/36/79/86/175367986.db2.gz DCVVOKJZZSMWIK-UXLLHSPISA-N 2 0 297.487 2.663 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@H+](CCC)C(C)C)C(N)=O ZINC000045385887 175372456 /nfs/dbraw/zinc/37/24/56/175372456.db2.gz MIMZOBJXEXYSBX-INIZCTEOSA-N 2 0 285.476 2.521 10 0 CFAERP CCC(CC)[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045391492 175374486 /nfs/dbraw/zinc/37/44/86/175374486.db2.gz TZTGWLNZFLPSKA-MRXNPFEDSA-N 2 0 285.476 2.519 10 0 CFAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](CC)C1CCCC1 ZINC000045390459 175374744 /nfs/dbraw/zinc/37/47/44/175374744.db2.gz JPOVATIZUSYUEY-MRXNPFEDSA-N 2 0 284.444 2.702 10 0 CFAERP CC[NH2+][C@@](C)(CCCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420399 175378605 /nfs/dbraw/zinc/37/86/05/175378605.db2.gz ZQSUTKKYWUPFFF-KRWDZBQOSA-N 2 0 299.503 2.624 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420998 175379807 /nfs/dbraw/zinc/37/98/07/175379807.db2.gz HNFSESPSWXNDDN-WMLDXEAASA-N 2 0 299.503 2.767 10 0 CFAERP COc1cc(C)c([C@@H](CC[NH3+])C[NH+](C)C)cc1Cl ZINC000076710783 177067621 /nfs/dbraw/zinc/06/76/21/177067621.db2.gz RVWJTMHHZZITFY-NSHDSACASA-N 2 0 270.804 2.651 10 0 CFAERP CC[C@H](CC[NH3+])CCC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000079206526 177445702 /nfs/dbraw/zinc/44/57/02/177445702.db2.gz JWAOKDHZOSSHOV-HOTGVXAUSA-N 2 0 299.503 2.768 10 0 CFAERP CC(C)(CC[NH3+])[NH2+]Cc1ccc(Br)s1 ZINC000258964863 270274927 /nfs/dbraw/zinc/27/49/27/270274927.db2.gz YITRTHQPTCIEHZ-UHFFFAOYSA-N 2 0 277.231 2.728 10 0 CFAERP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000398332307 270322188 /nfs/dbraw/zinc/32/21/88/270322188.db2.gz IQMWPNJNSAIXDM-SNVBAGLBSA-N 2 0 276.277 2.544 10 0 CFAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CC[C@H](C)C3)CC2)CC1 ZINC000335012983 276358840 /nfs/dbraw/zinc/35/88/40/276358840.db2.gz YFBGVVLEQWNQBL-WMZOPIPTSA-N 2 0 293.499 2.667 10 0 CFAERP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261552164 278304797 /nfs/dbraw/zinc/30/47/97/278304797.db2.gz VUOIFVANHFUCJV-NEPJUHHUSA-N 2 0 260.372 2.871 10 0 CFAERP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000247109270 281005337 /nfs/dbraw/zinc/00/53/37/281005337.db2.gz SXOULTVFQICTSC-BRWVUGGUSA-N 2 0 295.515 2.817 10 0 CFAERP Clc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1Cl ZINC000259031346 281111449 /nfs/dbraw/zinc/11/14/49/281111449.db2.gz ZSHNFGAEUQSSBW-JTQLQIEISA-N 2 0 259.180 2.693 10 0 CFAERP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000312646875 290016377 /nfs/dbraw/zinc/01/63/77/290016377.db2.gz FAQYRDIHJYOESZ-XIRDDKMYSA-N 2 0 274.408 2.645 10 0 CFAERP [NH3+]C1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000572392105 322617395 /nfs/dbraw/zinc/61/73/95/322617395.db2.gz LUYJZWWVEHZFRA-UHFFFAOYSA-N 2 0 274.408 2.594 10 0 CFAERP Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c2ccccc2[nH+]1 ZINC000383702400 324441860 /nfs/dbraw/zinc/44/18/60/324441860.db2.gz DEPRDXAASNSBAD-SJKOYZFVSA-N 2 0 269.392 2.964 10 0 CFAERP CC(C)[NH2+]CC1(C[NH+]2CCCCCC2)CCOCC1 ZINC000052180823 519719683 /nfs/dbraw/zinc/71/96/83/519719683.db2.gz IOLPJFCWUWQCFX-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CSC ZINC000069444470 519908301 /nfs/dbraw/zinc/90/83/01/519908301.db2.gz RMKJNKRUQRQMMU-FFHGMXDLSA-N 2 0 270.486 2.981 10 0 CFAERP CCC[NH2+]CCCCC[N@H+](CCOC)CC(C)C ZINC000052508663 519912243 /nfs/dbraw/zinc/91/22/43/519912243.db2.gz JUBVNVBYVOCYDN-UHFFFAOYSA-N 2 0 258.450 2.761 10 0 CFAERP CCC[NH2+]Cc1cc(C[N@H+](CC)CC(C)C)on1 ZINC000052449668 519944458 /nfs/dbraw/zinc/94/44/58/519944458.db2.gz FLVOJZRIUPZAEB-UHFFFAOYSA-N 2 0 253.390 2.652 10 0 CFAERP CCC[NH2+]Cc1ccoc1CN(CC[NH+](C)C)CC(C)C ZINC000052503311 519959384 /nfs/dbraw/zinc/95/93/84/519959384.db2.gz OJRSBGSATQNJIA-UHFFFAOYSA-N 2 0 295.471 2.799 10 0 CFAERP CCCC[N@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180975 520474422 /nfs/dbraw/zinc/47/44/22/520474422.db2.gz CDFSEJXSCONRGR-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP CCCC[C@@](CC)(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000069380339 521121291 /nfs/dbraw/zinc/12/12/91/521121291.db2.gz KJGLVKVNJFMKGC-INIZCTEOSA-N 2 0 269.477 2.558 10 0 CFAERP CCC(C)(C)[N@H+](C)CCCC[C@@](C)(NC1CC1)C(=O)OC ZINC000069443306 521300213 /nfs/dbraw/zinc/30/02/13/521300213.db2.gz QJZSXVRUMCUYSI-QGZVFWFLSA-N 2 0 298.471 2.961 10 0 CFAERP CC[C@@H](C)[NH+]1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000055067349 522135187 /nfs/dbraw/zinc/13/51/87/522135187.db2.gz LPGBAUFNENRONA-ZIAGYGMSSA-N 2 0 261.413 2.627 10 0 CFAERP C[NH2+]Cc1nc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)cs1 ZINC000052546478 522152920 /nfs/dbraw/zinc/15/29/20/522152920.db2.gz AJWYWNFHXNWSLE-WCQYABFASA-N 2 0 267.442 2.873 10 0 CFAERP CC(C)(C)CC[N@@H+]1CCCN(CCCCC[NH3+])CC1 ZINC000049254422 518647297 /nfs/dbraw/zinc/64/72/97/518647297.db2.gz NFIVCJWGHJGFHI-UHFFFAOYSA-N 2 0 269.477 2.559 10 0 CFAERP CC(C)C[C@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197680 519309740 /nfs/dbraw/zinc/30/97/40/519309740.db2.gz WDSHZUOAYCYPMP-HNNXBMFYSA-N 2 0 282.472 2.902 10 0 CFAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000052423930 519720998 /nfs/dbraw/zinc/72/09/98/519720998.db2.gz CQYRPWFQWLWGCY-HNNXBMFYSA-N 2 0 263.429 2.723 10 0 CFAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419175 519725870 /nfs/dbraw/zinc/72/58/70/519725870.db2.gz YXWBVOHVKNDUMR-MSOLQXFVSA-N 2 0 288.435 2.590 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1N1CC[NH+](CC2CC2)CC1 ZINC000048995533 519727743 /nfs/dbraw/zinc/72/77/43/519727743.db2.gz AYXZCVWSJBFUNC-UHFFFAOYSA-N 2 0 287.451 2.717 10 0 CFAERP CC(C)[NH2+]Cc1ccccc1OCC[N@H+](C)C(C)C ZINC000052419588 519727990 /nfs/dbraw/zinc/72/79/90/519727990.db2.gz INCPQJUDDZAYBR-UHFFFAOYSA-N 2 0 264.413 2.904 10 0 CFAERP CC(C)C[NH+]1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062787049 519728310 /nfs/dbraw/zinc/72/83/10/519728310.db2.gz NSTUOTOMYHALEB-UHFFFAOYSA-N 2 0 281.831 2.577 10 0 CFAERP CC(C)C[NH2+]CCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380753 519743175 /nfs/dbraw/zinc/74/31/75/519743175.db2.gz ZMSPNYITAFDJTA-GASCZTMLSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000052424018 519743970 /nfs/dbraw/zinc/74/39/70/519743970.db2.gz AUJRVZCNLDQMMY-OAHLLOKOSA-N 2 0 263.429 2.580 10 0 CFAERP CC(C)C[NH2+]C[C@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000052424446 519745965 /nfs/dbraw/zinc/74/59/65/519745965.db2.gz KDCZWQVYDSZYLZ-GOSISDBHSA-N 2 0 289.467 2.611 10 0 CFAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374539 519746256 /nfs/dbraw/zinc/74/62/56/519746256.db2.gz QFZOODDRJDNPFM-QZTJIDSGSA-N 2 0 288.435 2.795 10 0 CFAERP CCCC1CCN(C2(C[NH3+])CC[NH+](CCC)CC2)CC1 ZINC000050893314 519900729 /nfs/dbraw/zinc/90/07/29/519900729.db2.gz RMFNPCPWSBNZJQ-UHFFFAOYSA-N 2 0 281.488 2.702 10 0 CFAERP CCCC1CC[NH+](CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052182119 519900867 /nfs/dbraw/zinc/90/08/67/519900867.db2.gz NYPJQVWFNPTFNL-UHFFFAOYSA-N 2 0 268.445 2.515 10 0 CFAERP CCCC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]CC)O2)CC1 ZINC000052374060 519901669 /nfs/dbraw/zinc/90/16/69/519901669.db2.gz HQYDZLQTZKCBQX-CVEARBPZSA-N 2 0 268.445 2.656 10 0 CFAERP CCC[NH2+]CCCCC[N@H+](CCN(C)C)CC(C)C ZINC000052503378 519912361 /nfs/dbraw/zinc/91/23/61/519912361.db2.gz BNPOZQDMQMQVSM-UHFFFAOYSA-N 2 0 271.493 2.676 10 0 CFAERP CCC[NH2+]C[C@@H](c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052419946 519921670 /nfs/dbraw/zinc/92/16/70/519921670.db2.gz HQJJODNXHXVIRU-SFHVURJKSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416594 519926815 /nfs/dbraw/zinc/92/68/15/519926815.db2.gz UGSXMYQAZNSUGG-LSDHHAIUSA-N 2 0 294.464 2.653 10 0 CFAERP CC[NH2+]C[C@@H](c1ccccc1)N(CC[NH+](C)C)CC(C)C ZINC000052503411 519949678 /nfs/dbraw/zinc/94/96/78/519949678.db2.gz NWSLWSTXMKMVKR-SFHVURJKSA-N 2 0 291.483 2.857 10 0 CFAERP CCC[NH2+]Cc1ccccc1OCC[N@@H+]1CC[C@@H](C)C1 ZINC000052484463 519955961 /nfs/dbraw/zinc/95/59/61/519955961.db2.gz GSERUFHNOZOPOU-OAHLLOKOSA-N 2 0 276.424 2.907 10 0 CFAERP CCC[NH2+]Cc1ccccc1OCC[N@@H+]1CC[C@H](C)C1 ZINC000052484462 519956680 /nfs/dbraw/zinc/95/66/80/519956680.db2.gz GSERUFHNOZOPOU-HNNXBMFYSA-N 2 0 276.424 2.907 10 0 CFAERP CC[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000052420613 519995261 /nfs/dbraw/zinc/99/52/61/519995261.db2.gz LGRMGRCOLKTFNO-BETUJISGSA-N 2 0 250.386 2.867 10 0 CFAERP CC[NH2+]Cc1ccccc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453646 520006530 /nfs/dbraw/zinc/00/65/30/520006530.db2.gz JIAFABPNPMJMNE-HNNXBMFYSA-N 2 0 264.438 2.733 10 0 CFAERP CCCC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052417966 520421693 /nfs/dbraw/zinc/42/16/93/520421693.db2.gz HTHQEYYHEFRLQZ-UHFFFAOYSA-N 2 0 253.390 2.652 10 0 CFAERP CC[NH+](CC)CCO[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052671579 520697465 /nfs/dbraw/zinc/69/74/65/520697465.db2.gz ITVXHIBKYMBFIF-CQSZACIVSA-N 2 0 258.450 2.758 10 0 CFAERP CC[N@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C(C)C ZINC000052181322 520937426 /nfs/dbraw/zinc/93/74/26/520937426.db2.gz MPCOBVXWSHSYEP-UHFFFAOYSA-N 2 0 270.461 2.902 10 0 CFAERP CC[N@H+](CC1CC1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000069262798 520958471 /nfs/dbraw/zinc/95/84/71/520958471.db2.gz CKMOOBMKDILUBZ-UHFFFAOYSA-N 2 0 268.445 2.513 10 0 CFAERP CC1CC[NH+](CC2(C[NH2+]C(C)(C)C)CCOCC2)CC1 ZINC000052180635 520998079 /nfs/dbraw/zinc/99/80/79/520998079.db2.gz MIRJRZOLUWPMBP-UHFFFAOYSA-N 2 0 282.472 2.903 10 0 CFAERP CCC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075311 521060155 /nfs/dbraw/zinc/06/01/55/521060155.db2.gz ISWAMIYRAOJQBO-HRCADAONSA-N 2 0 269.477 2.569 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])[N@H+](C)C[C@@H]1CCCCO1 ZINC000069380082 521120414 /nfs/dbraw/zinc/12/04/14/521120414.db2.gz MHDPOFLJMBWJBY-GJZGRUSLSA-N 2 0 256.434 2.785 10 0 CFAERP CCCC[C@@](CC)(CN)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000069381122 521121904 /nfs/dbraw/zinc/12/19/04/521121904.db2.gz GPYHTFUXCBSSIJ-INIZCTEOSA-N 2 0 269.477 2.558 10 0 CFAERP CC[N@H+](Cc1cc(C[NH2+]CC(C)C)no1)C(C)C ZINC000052446790 521289261 /nfs/dbraw/zinc/28/92/61/521289261.db2.gz VRCNKRDYUUIHQX-UHFFFAOYSA-N 2 0 253.390 2.651 10 0 CFAERP CCC[N@H+](CC)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181213 521605900 /nfs/dbraw/zinc/60/59/00/521605900.db2.gz QUIVFQFQFVDZPB-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050944941 521906493 /nfs/dbraw/zinc/90/64/93/521906493.db2.gz LEXVCBZKGJQIHQ-OAHLLOKOSA-N 2 0 289.423 2.609 10 0 CFAERP C[NH2+]CC1(C[N@H+](C)C2CCCCCC2)CCOCC1 ZINC000052181988 521966672 /nfs/dbraw/zinc/96/66/72/521966672.db2.gz QTBHAHKYZMQAEF-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CC[C@@H](C)C[C@](CC)(C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000048927160 522027444 /nfs/dbraw/zinc/02/74/44/522027444.db2.gz YYCHBHMZEQOVLF-NVXWUHKLSA-N 2 0 283.504 2.946 10 0 CFAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C(C)(C)C)CC2)O1 ZINC000052373675 522057783 /nfs/dbraw/zinc/05/77/83/522057783.db2.gz KKLJZNSKIRZVCN-LSDHHAIUSA-N 2 0 268.445 2.512 10 0 CFAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(Cl)c2)O1 ZINC000052508250 522093509 /nfs/dbraw/zinc/09/35/09/522093509.db2.gz UKCDSKRBHKCXTL-CABCVRRESA-N 2 0 282.815 2.539 10 0 CFAERP C[NH2+]Cc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000052420703 522121981 /nfs/dbraw/zinc/12/19/81/522121981.db2.gz QKONHUAMYCWXQZ-GASCZTMLSA-N 2 0 276.424 2.763 10 0 CFAERP CC[C@H](CC[NH3+])N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000049254437 522127474 /nfs/dbraw/zinc/12/74/74/522127474.db2.gz KPGDUBZVPKDYLD-OAHLLOKOSA-N 2 0 269.477 2.558 10 0 CFAERP C[NH2+]Cc1cccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000052420698 522132763 /nfs/dbraw/zinc/13/27/63/522132763.db2.gz QKKLWUHSLFGXBJ-GJZGRUSLSA-N 2 0 276.424 2.763 10 0 CFAERP C[NH2+]Cc1cccc(OCC[NH+]2Cc3ccccc3C2)c1 ZINC000052374391 522134912 /nfs/dbraw/zinc/13/49/12/522134912.db2.gz ILZPIWMCHRLBOT-UHFFFAOYSA-N 2 0 282.387 2.801 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[NH+]1CCCCCC1 ZINC000052381908 522140243 /nfs/dbraw/zinc/14/02/43/522140243.db2.gz GOIRRQVYGGOCKU-UHFFFAOYSA-N 2 0 262.397 2.661 10 0 CFAERP C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000061699547 522334588 /nfs/dbraw/zinc/33/45/88/522334588.db2.gz ZCFQHJFWTDUXHA-JTQLQIEISA-N 2 0 256.777 2.561 10 0 CFAERP CC[C@@H](CC[NH3+])N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000049256677 522497785 /nfs/dbraw/zinc/49/77/85/522497785.db2.gz DRZJZCYXAFQYIG-SFHVURJKSA-N 2 0 289.467 2.548 10 0 CFAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000234696409 522667970 /nfs/dbraw/zinc/66/79/70/522667970.db2.gz OKIDDVAZIPMYDC-ZJUUUORDSA-N 2 0 276.833 2.806 10 0 CFAERP COC1CC[NH+](Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052455473 522705614 /nfs/dbraw/zinc/70/56/14/522705614.db2.gz HXJXIVPBHWUUJE-UHFFFAOYSA-N 2 0 274.408 2.549 10 0 CFAERP C[N@H+](CCCNCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000049332286 522772582 /nfs/dbraw/zinc/77/25/82/522772582.db2.gz ZPPLVXHNEIOEDB-UHFFFAOYSA-N 2 0 289.467 2.584 10 0 CFAERP C[N@H+](CCC[C@@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000052764582 522789235 /nfs/dbraw/zinc/78/92/35/522789235.db2.gz KDJXFMFCFLURQC-HNNXBMFYSA-N 2 0 250.361 2.790 10 0 CFAERP CC[C@@H]1CCC[N@H+](Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052479875 523252921 /nfs/dbraw/zinc/25/29/21/523252921.db2.gz HYXCRVJDYCCUCX-CYBMUJFWSA-N 2 0 250.386 2.929 10 0 CFAERP COc1ccc(C2CC([NH2+][C@H](C)CC[NH+](C)C)C2)cc1 ZINC000049553931 523883640 /nfs/dbraw/zinc/88/36/40/523883640.db2.gz ZSHPEDXNIPYGKZ-IUDNXUCKSA-N 2 0 276.424 2.871 10 0 CFAERP COc1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C(C)C)C2)cc1 ZINC000053011077 523950679 /nfs/dbraw/zinc/95/06/79/523950679.db2.gz BVHMACQMJWUDGT-MRXNPFEDSA-N 2 0 276.424 2.558 10 0 CFAERP COc1ccc(CC[N@@H+]2CC[C@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053011062 523950873 /nfs/dbraw/zinc/95/08/73/523950873.db2.gz JCGRFYCMGMUKCS-QGZVFWFLSA-N 2 0 290.451 2.805 10 0 CFAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C1CCN(C)CC1 ZINC000052419889 524139881 /nfs/dbraw/zinc/13/98/81/524139881.db2.gz XPSYQMNQDNKWAC-CQSZACIVSA-N 2 0 269.477 2.569 10 0 CFAERP Cc1cccc(N2CC[NH+]([C@H](C)CCC[NH3+])CC2)c1C ZINC000052376273 524561199 /nfs/dbraw/zinc/56/11/99/524561199.db2.gz KZGOOHBWVXPFHQ-OAHLLOKOSA-N 2 0 275.440 2.553 10 0 CFAERP Cc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]C2)s1 ZINC000050226791 524575603 /nfs/dbraw/zinc/57/56/03/524575603.db2.gz FWROTFXZPJVFKL-ZDUSSCGKSA-N 2 0 252.427 2.926 10 0 CFAERP C[C@H]([NH3+])c1ccc(OC2CC[NH+](C)CC2)c(Cl)c1 ZINC000061699685 524867010 /nfs/dbraw/zinc/86/70/10/524867010.db2.gz ZSYAVPLGGRULDS-JTQLQIEISA-N 2 0 268.788 2.833 10 0 CFAERP C[C@@H](Cc1ccco1)[NH2+]CCC[C@H]1CCCC[NH2+]1 ZINC000050953492 524928824 /nfs/dbraw/zinc/92/88/24/524928824.db2.gz VKQDNTWCEUZKJT-UONOGXRCSA-N 2 0 250.386 2.723 10 0 CFAERP C[C@@H]1C[N@H+](CCCCC[NH2+]C(C)(C)C)[C@H](C)CO1 ZINC000052476647 524941033 /nfs/dbraw/zinc/94/10/33/524941033.db2.gz AKFWEJCAOUDLBF-ZIAGYGMSSA-N 2 0 256.434 2.654 10 0 CFAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000050578880 525002099 /nfs/dbraw/zinc/00/20/99/525002099.db2.gz OEZKIBNLFACWNI-MRXNPFEDSA-N 2 0 293.430 2.550 10 0 CFAERP Cc1cc([C@@H](C[NH3+])N2CC[NH+](C(C)(C)C)CC2)ccc1F ZINC000050546293 525481593 /nfs/dbraw/zinc/48/15/93/525481593.db2.gz UEEGFIPGUYFRRU-MRXNPFEDSA-N 2 0 293.430 2.550 10 0 CFAERP COc1cccc(C[N@H+](C)CCCC[NH2+]C2CC2)c1 ZINC000052372861 525914276 /nfs/dbraw/zinc/91/42/76/525914276.db2.gz ODJGTEUOSOZOLX-UHFFFAOYSA-N 2 0 262.397 2.659 10 0 CFAERP c1ccc(N2CC[NH+](CCC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000050952336 526481882 /nfs/dbraw/zinc/48/18/82/526481882.db2.gz KIYCILFYGYPOES-QGZVFWFLSA-N 2 0 287.451 2.731 10 0 CFAERP c1ccc(SCC[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000049332525 526490303 /nfs/dbraw/zinc/49/03/03/526490303.db2.gz GNBVDPJADGZQOV-UHFFFAOYSA-N 2 0 264.438 2.854 10 0 CFAERP c1ccc2c(c1)CC[N@@H+](CCCCC[NH2+]C1CC1)C2 ZINC000052419155 526503935 /nfs/dbraw/zinc/50/39/35/526503935.db2.gz XVFYNWVWMFQUDE-UHFFFAOYSA-N 2 0 258.409 2.967 10 0 CFAERP [NH3+]CCC[N@H+](CCCCCO)C1CCCCCC1 ZINC000051020258 527178868 /nfs/dbraw/zinc/17/88/68/527178868.db2.gz CUWRLMFPQVFVEN-UHFFFAOYSA-N 2 0 256.434 2.523 10 0 CFAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423350336 527869371 /nfs/dbraw/zinc/86/93/71/527869371.db2.gz XJHNPCQBQLBWLJ-BRWVUGGUSA-N 2 0 288.435 2.569 10 0 CFAERP Cc1ccc(OC[C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000094088067 619077685 /nfs/dbraw/zinc/07/76/85/619077685.db2.gz RHQQFFUATPFSSI-NFOMZHRRSA-N 2 0 262.397 2.622 10 0 CFAERP Cc1[nH+]ccc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000261568527 619172026 /nfs/dbraw/zinc/17/20/26/619172026.db2.gz JHHGSALFCRIJDX-FOSCPWQOSA-N 2 0 265.788 2.763 10 0 CFAERP FC1(c2ccccc2)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261961101 619354416 /nfs/dbraw/zinc/35/44/16/619354416.db2.gz PGIGCPRTQHXMBY-HNNXBMFYSA-N 2 0 276.399 2.947 10 0 CFAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000250854411 650980957 /nfs/dbraw/zinc/98/09/57/650980957.db2.gz OOCKYVGIIUAGEP-CFVMTHIKSA-N 2 0 260.381 2.617 10 0 CFAERP CCN1CCC[C@@H]([NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000222589179 647281085 /nfs/dbraw/zinc/28/10/85/647281085.db2.gz BGHNCFAZJMGNHC-XJKSGUPXSA-N 2 0 264.388 2.831 10 0 CFAERP CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2cc(OC)ccc21 ZINC000082509392 178075925 /nfs/dbraw/zinc/07/59/25/178075925.db2.gz PDMJXTYCDGEADY-OAHLLOKOSA-N 2 0 290.407 2.593 10 0 CFAERP CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccc(OC)cc21 ZINC000082509420 178076018 /nfs/dbraw/zinc/07/60/18/178076018.db2.gz QKJSCSWWEJPLLU-OAHLLOKOSA-N 2 0 290.407 2.593 10 0 CFAERP CC[NH+](CC)CCc1nc(C[NH2+]CC(C)C)cs1 ZINC000082688213 178181004 /nfs/dbraw/zinc/18/10/04/178181004.db2.gz DKPFHNRPFYLBIF-UHFFFAOYSA-N 2 0 269.458 2.773 10 0 CFAERP c1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729021 178245360 /nfs/dbraw/zinc/24/53/60/178245360.db2.gz NMHGTASCHLGLDR-IAGOWNOFSA-N 2 0 258.409 2.693 10 0 CFAERP Cc1cc(C[NH2+]CCC[NH3+])c(C)n1-c1ccccc1 ZINC000037713568 346333080 /nfs/dbraw/zinc/33/30/80/346333080.db2.gz MOOWKMYMJDKQDZ-UHFFFAOYSA-N 2 0 257.381 2.533 10 0 CFAERP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000086817214 179344851 /nfs/dbraw/zinc/34/48/51/179344851.db2.gz HPEJKIZAKWGUNP-DOMZBBRYSA-N 2 0 250.361 2.961 10 0 CFAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2cc(C)cc(C)c2)CC1 ZINC000086848324 179357268 /nfs/dbraw/zinc/35/72/68/179357268.db2.gz HNGJKRFEZGOBRW-SFHVURJKSA-N 2 0 289.467 2.943 10 0 CFAERP CCC[N@@H+]1CCC[C@H](NCC[NH+]2CCC(C)CC2)CC1 ZINC000086842525 179352439 /nfs/dbraw/zinc/35/24/39/179352439.db2.gz ZPPXGERKERBTTG-KRWDZBQOSA-N 2 0 281.488 2.572 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@H](NCC[NH+]2CCCCCC2)CC1 ZINC000086842502 179353804 /nfs/dbraw/zinc/35/38/04/179353804.db2.gz NOONBVKCEYVNEJ-QGZVFWFLSA-N 2 0 281.488 2.715 10 0 CFAERP CCOC(=O)C[C@@]1([NH+](CC)CC)CCC[N@H+](CC)CC1 ZINC000086868546 179360515 /nfs/dbraw/zinc/36/05/15/179360515.db2.gz JLCMGZDGECCOST-MRXNPFEDSA-N 2 0 284.444 2.526 10 0 CFAERP Cc1ccnc(N[C@H](C)C[C@H](C)[NH3+])c1Br ZINC000235499514 348228248 /nfs/dbraw/zinc/22/82/48/348228248.db2.gz UMCPWFLSAHJUCK-DTWKUNHWSA-N 2 0 272.190 2.690 10 0 CFAERP C[C@H]1C[C@@H](Nc2cc[nH+]cc2N)C[N@@H+]1Cc1ccccc1 ZINC000306581254 348389913 /nfs/dbraw/zinc/38/99/13/348389913.db2.gz OMTULPYBHFTGNT-DZGCQCFKSA-N 2 0 282.391 2.739 10 0 CFAERP [NH3+]C1(Cc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000090587476 180009235 /nfs/dbraw/zinc/00/92/35/180009235.db2.gz GHNINZYXMSNWNF-UHFFFAOYSA-N 2 0 259.180 2.617 10 0 CFAERP Cc1ncsc1C[N@H+](C)CCC[C@H]1CCCC[NH2+]1 ZINC000104443329 186003988 /nfs/dbraw/zinc/00/39/88/186003988.db2.gz IXCDXJRDWDQZDB-CYBMUJFWSA-N 2 0 267.442 2.806 10 0 CFAERP C[NH+](C)CCC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000106383609 186112167 /nfs/dbraw/zinc/11/21/67/186112167.db2.gz YDKCZNIYGZPWNW-SFHVURJKSA-N 2 0 290.451 2.558 10 0 CFAERP C[C@]12C[NH2+]C[C@@]1(C)CN(c1cc[nH+]c3ccccc31)C2 ZINC000630537762 355106230 /nfs/dbraw/zinc/10/62/30/355106230.db2.gz DHSPASXXZMORNP-CALCHBBNSA-N 2 0 267.376 2.671 10 0 CFAERP [NH3+]C[C@H]1CC[C@H](Nc2cc[nH+]c3ccccc23)CC1 ZINC000630556551 355112126 /nfs/dbraw/zinc/11/21/26/355112126.db2.gz HZPNHGAVYLZKFI-JOCQHMNTSA-N 2 0 255.365 2.586 10 0 CFAERP C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C[NH3+] ZINC000631840089 355602677 /nfs/dbraw/zinc/60/26/77/355602677.db2.gz PJLOYBFHNOSFDY-YPMHNXCESA-N 2 0 289.810 2.915 10 0 CFAERP Clc1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000178958005 189157147 /nfs/dbraw/zinc/15/71/47/189157147.db2.gz YNDBHDMJPOEXBK-MRXNPFEDSA-N 2 0 294.826 2.713 10 0 CFAERP CSCc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423109986 238205322 /nfs/dbraw/zinc/20/53/22/238205322.db2.gz OIIRRJUCAKUJKZ-UHFFFAOYSA-N 2 0 264.438 2.909 10 0 CFAERP COc1ccccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC000013470164 372028021 /nfs/dbraw/zinc/02/80/21/372028021.db2.gz FRRZPZBBNJYGBE-UHFFFAOYSA-N 2 0 288.435 2.907 10 0 CFAERP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000041721434 372860245 /nfs/dbraw/zinc/86/02/45/372860245.db2.gz DWAMUHINDBHWSE-ZDUSSCGKSA-N 2 0 255.365 2.671 10 0 CFAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000081516320 374701194 /nfs/dbraw/zinc/70/11/94/374701194.db2.gz AJLLMYQZLMMQCO-WMZOPIPTSA-N 2 0 290.451 2.558 10 0 CFAERP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000085636257 374801854 /nfs/dbraw/zinc/80/18/54/374801854.db2.gz XKKFLGRQKSGXDM-QXSJWSMHSA-N 2 0 280.456 2.512 10 0 CFAERP CC(C)[NH2+][C@H](CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095088340 375409854 /nfs/dbraw/zinc/40/98/54/375409854.db2.gz VUNPAHLTIXBIGB-QZTJIDSGSA-N 2 0 290.451 2.648 10 0 CFAERP C[C@H]([NH3+])[C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000168593064 379092890 /nfs/dbraw/zinc/09/28/90/379092890.db2.gz QQIVGQZSMQACKV-JSGCOSHPSA-N 2 0 255.365 2.798 10 0 CFAERP C[C@H]([NH2+]CCc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000400737977 380864870 /nfs/dbraw/zinc/86/48/70/380864870.db2.gz KKNLESWHFUGHEG-AAEUAGOBSA-N 2 0 297.240 2.579 10 0 CFAERP C[C@@H]([NH2+]CCCn1ccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400432512 380859403 /nfs/dbraw/zinc/85/94/03/380859403.db2.gz LMQRWRGWYXBPNL-GDBMZVCRSA-N 2 0 271.408 2.619 10 0 CFAERP C[C@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CC[NH2+]C1 ZINC000400473335 380861571 /nfs/dbraw/zinc/86/15/71/380861571.db2.gz YVZSUGYTHIKXNO-DTWKUNHWSA-N 2 0 289.242 2.598 10 0 CFAERP C[C@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400480311 380861962 /nfs/dbraw/zinc/86/19/62/380861962.db2.gz FIYLYKWINOPHEC-ZFWWWQNUSA-N 2 0 254.377 2.927 10 0 CFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000301883558 382198491 /nfs/dbraw/zinc/19/84/91/382198491.db2.gz NLWCUBHZQYHPMN-BXUZGUMPSA-N 2 0 258.369 2.704 10 0 CFAERP CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188397862 382407168 /nfs/dbraw/zinc/40/71/68/382407168.db2.gz WIDMNUNEDDDNIL-MRXNPFEDSA-N 2 0 285.391 2.946 10 0 CFAERP C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(CO)cc1 ZINC000309651090 382490583 /nfs/dbraw/zinc/49/05/83/382490583.db2.gz AGBKMUNXMBOVLJ-INIZCTEOSA-N 2 0 298.430 2.789 10 0 CFAERP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000381124917 382518642 /nfs/dbraw/zinc/51/86/42/382518642.db2.gz FFIGWDZJBNHFCC-DTZQCDIJSA-N 2 0 250.430 2.872 10 0 CFAERP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)COCc1ccccc1 ZINC000389946888 382616789 /nfs/dbraw/zinc/61/67/89/382616789.db2.gz QOBCRBNGYJIVEX-WBVHZDCISA-N 2 0 276.424 2.571 10 0 CFAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)C1CCCCC1 ZINC000386079404 382582203 /nfs/dbraw/zinc/58/22/03/382582203.db2.gz BOCUVUBUSYYCFE-DJIMGWMZSA-N 2 0 282.472 2.828 10 0 CFAERP CC[C@H]1CCCC[N@@H+]1CCC[C@@](C)(CO)[NH2+]C(C)C ZINC000085239614 184608405 /nfs/dbraw/zinc/60/84/05/184608405.db2.gz PWPVVIROCNLQMC-HOTGVXAUSA-N 2 0 270.461 2.780 10 0 CFAERP [NH3+]CCC[C@@H]([NH3+])c1c(Cl)ccc(Cl)c1F ZINC000575438067 382771219 /nfs/dbraw/zinc/77/12/19/382771219.db2.gz DGPURXFJTOQRKN-MRVPVSSYSA-N 2 0 251.132 2.871 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000575438822 382771501 /nfs/dbraw/zinc/77/15/01/382771501.db2.gz BNVHREXZRZRVCL-LLVKDONJSA-N 2 0 275.165 2.717 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)cccc1Br ZINC000575440451 382771785 /nfs/dbraw/zinc/77/17/85/382771785.db2.gz VNFCFRVACWVVRR-JTQLQIEISA-N 2 0 275.165 2.717 10 0 CFAERP c1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246617598 383086685 /nfs/dbraw/zinc/08/66/85/383086685.db2.gz MLQZVSGSHSKSTR-AWEZNQCLSA-N 2 0 267.376 2.909 10 0 CFAERP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998834 383455884 /nfs/dbraw/zinc/45/58/84/383455884.db2.gz LOXUEKNRVGXXEP-YPMHNXCESA-N 2 0 258.365 2.768 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000261726107 383547546 /nfs/dbraw/zinc/54/75/46/383547546.db2.gz KURILYZDTFCRBI-IACUBPJLSA-N 2 0 284.325 2.875 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@H]12 ZINC000261698506 383543664 /nfs/dbraw/zinc/54/36/64/383543664.db2.gz NXNDCWJPJZLIFQ-DIOULYMOSA-N 2 0 285.366 2.543 10 0 CFAERP CCOc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000262012512 383595136 /nfs/dbraw/zinc/59/51/36/383595136.db2.gz VGRSGPSMBZTMBG-CQSZACIVSA-N 2 0 280.387 2.798 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)C[C@@H]12 ZINC000262030998 383596707 /nfs/dbraw/zinc/59/67/07/383596707.db2.gz XEYHEJZCSATHQB-CGTJXYLNSA-N 2 0 286.419 2.645 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc(-c4cccs4)on3)C[C@H]12 ZINC000261756425 383553917 /nfs/dbraw/zinc/55/39/17/383553917.db2.gz NIMHPIIOZJTPGB-WCFLWFBJSA-N 2 0 289.404 2.572 10 0 CFAERP Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261787708 383561437 /nfs/dbraw/zinc/56/14/37/383561437.db2.gz OGADVPBCHLDRCK-HOTGVXAUSA-N 2 0 260.425 2.857 10 0 CFAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381576496 393564862 /nfs/dbraw/zinc/56/48/62/393564862.db2.gz IQVUQDPNRRFWRO-AVGNSLFASA-N 2 0 260.372 2.871 10 0 CFAERP [NH3+]CCCOC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381618390 393565845 /nfs/dbraw/zinc/56/58/45/393565845.db2.gz QUESBQDAWKDUDF-CYBMUJFWSA-N 2 0 290.398 2.642 10 0 CFAERP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151307667 394261704 /nfs/dbraw/zinc/26/17/04/394261704.db2.gz VPYGUHOETHVXAG-JYJNAYRXSA-N 2 0 270.461 2.638 10 0 CFAERP [NH3+]Cc1cc(Cl)ccc1OCC[NH+]1CCCCC1 ZINC000011944274 170459971 /nfs/dbraw/zinc/45/99/71/170459971.db2.gz XWZPUDOXWOUFJA-UHFFFAOYSA-N 2 0 268.788 2.663 10 0 CFAERP Cc1ccccc1OC[C@@H](CC[NH3+])[NH+]1CCCCC1 ZINC000020402216 171182250 /nfs/dbraw/zinc/18/22/50/171182250.db2.gz DIEZSKIEBHVWCM-OAHLLOKOSA-N 2 0 262.397 2.577 10 0 CFAERP Cc1cc(C)c([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000022222514 171378668 /nfs/dbraw/zinc/37/86/68/171378668.db2.gz UHOZBUZTQDVOFA-QGZVFWFLSA-N 2 0 289.467 2.638 10 0 CFAERP CCCc1ccc([C@@H]([NH3+])CN(C)C2CC[NH+](C)CC2)cc1 ZINC000022564776 171391879 /nfs/dbraw/zinc/39/18/79/171391879.db2.gz SSCKVFADUOGIHQ-SFHVURJKSA-N 2 0 289.467 2.665 10 0 CFAERP CC[NH+](CC)CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000034816597 171869865 /nfs/dbraw/zinc/86/98/65/171869865.db2.gz IYNCZKVZDBBIHM-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C[NH3+])cc1 ZINC000036127916 172448356 /nfs/dbraw/zinc/44/83/56/172448356.db2.gz HHGUGTKZRJZNIY-UHFFFAOYSA-N 2 0 258.340 2.916 10 0 CFAERP C[N@H+](Cc1cccc(F)c1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037158826 172994729 /nfs/dbraw/zinc/99/47/29/172994729.db2.gz DQTCYOPKDMAMKF-HIFRSBDPSA-N 2 0 250.361 2.775 10 0 CFAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCOCC(C)C)C1 ZINC000037221361 173040361 /nfs/dbraw/zinc/04/03/61/173040361.db2.gz JNUFNXJWNAGZOZ-CVEARBPZSA-N 2 0 270.461 2.759 10 0 CFAERP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[NH2+]CC1 ZINC000037365300 173154589 /nfs/dbraw/zinc/15/45/89/173154589.db2.gz SYZXHGMKHULKKJ-UHFFFAOYSA-N 2 0 262.441 2.888 10 0 CFAERP CCn1cc(C[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000037536394 173255244 /nfs/dbraw/zinc/25/52/44/173255244.db2.gz HCPBYDPFSSIRAT-UHFFFAOYSA-N 2 0 257.381 2.584 10 0 CFAERP Cc1cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000656609659 414615713 /nfs/dbraw/zinc/61/57/13/414615713.db2.gz WAVXPYIEYNNMIH-OAHLLOKOSA-N 2 0 259.397 2.606 10 0 CFAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)CC1 ZINC000038028853 174018316 /nfs/dbraw/zinc/01/83/16/174018316.db2.gz BFGMMWABBGFTKK-CVEARBPZSA-N 2 0 281.488 2.571 10 0 CFAERP CC[N@H+](CCSc1ccccc1)C1CC[NH2+]CC1 ZINC000038078697 174088663 /nfs/dbraw/zinc/08/86/63/174088663.db2.gz OEIATIMHGSPUEW-UHFFFAOYSA-N 2 0 264.438 2.853 10 0 CFAERP CCCCOCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000040506735 174302110 /nfs/dbraw/zinc/30/21/10/174302110.db2.gz XFHFYTIWQRAUKB-HOTGVXAUSA-N 2 0 270.461 2.903 10 0 CFAERP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000040593374 174347764 /nfs/dbraw/zinc/34/77/64/174347764.db2.gz NBKSEAQCEPNLDN-AWEZNQCLSA-N 2 0 271.408 2.610 10 0 CFAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC000040622207 174354748 /nfs/dbraw/zinc/35/47/48/174354748.db2.gz IJGDNXORJXBUFT-KRWDZBQOSA-N 2 0 260.425 2.939 10 0 CFAERP CSc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749401 174393583 /nfs/dbraw/zinc/39/35/83/174393583.db2.gz UROBOVLAYXYPHA-AGUYFDCRSA-N 2 0 262.422 2.863 10 0 CFAERP C[C@@H](CCc1ccc(O)cc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749146 174393922 /nfs/dbraw/zinc/39/39/22/174393922.db2.gz WIYFDZSSRPRVRS-WWTUQBGBSA-N 2 0 274.408 2.667 10 0 CFAERP C[C@@H](c1cc(F)ccc1F)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040748973 174394125 /nfs/dbraw/zinc/39/41/25/174394125.db2.gz RHLIWWVMYBQMJX-SMHCIBLRSA-N 2 0 266.335 2.980 10 0 CFAERP C[C@H](C[NH+]1CCCCC1)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000041723730 174618423 /nfs/dbraw/zinc/61/84/23/174618423.db2.gz JAYUTXDZYSYMNE-HIFRSBDPSA-N 2 0 261.413 2.871 10 0 CFAERP Cc1ccc(C)c([C@H]([NH3+])CN(CC[NH+](C)C)CC(C)C)c1 ZINC000042748567 174866435 /nfs/dbraw/zinc/86/64/35/174866435.db2.gz XSKGLJDACSVEIJ-GOSISDBHSA-N 2 0 291.483 2.823 10 0 CFAERP Cc1ccc(C)c([C@@H]([NH3+])CN(CC[NH+](C)C)CC(C)C)c1 ZINC000042748570 174866800 /nfs/dbraw/zinc/86/68/00/174866800.db2.gz XSKGLJDACSVEIJ-SFHVURJKSA-N 2 0 291.483 2.823 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C1CC[NH+](CC)CC1 ZINC000043106747 174972262 /nfs/dbraw/zinc/97/22/62/174972262.db2.gz RFJMULRSQKCIKG-ZBFHGGJFSA-N 2 0 295.496 2.943 10 0 CFAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N(C)C1CC[NH+](C)CC1 ZINC000043239171 174988912 /nfs/dbraw/zinc/98/89/12/174988912.db2.gz LFAXQCXXCQCOHA-HOCLYGCPSA-N 2 0 295.496 2.861 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC([NH+](C)C)CC1 ZINC000043240782 174989172 /nfs/dbraw/zinc/98/91/72/174989172.db2.gz SJTYMZRTUMYECK-GOEBONIOSA-N 2 0 295.496 2.861 10 0 CFAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC(C[NH+](C)C)CC1 ZINC000043364995 175026444 /nfs/dbraw/zinc/02/64/44/175026444.db2.gz LLXWIIGKFWUQCD-WBVHZDCISA-N 2 0 293.455 2.640 10 0 CFAERP COc1ccc(C[N@H+](CCC[NH3+])CC(C)C)cc1OC ZINC000043417535 175038223 /nfs/dbraw/zinc/03/82/23/175038223.db2.gz VOCOJCVHRKEOCX-UHFFFAOYSA-N 2 0 280.412 2.511 10 0 CFAERP CC1(C)C[C@@H]([NH3+])c2ccc(OCC[NH+]3CCCC3)cc2O1 ZINC000043460187 175051129 /nfs/dbraw/zinc/05/11/29/175051129.db2.gz PCRHQUWEISYNOM-OAHLLOKOSA-N 2 0 290.407 2.722 10 0 CFAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccc(C)c(C)c2)CC1 ZINC000043805378 175107692 /nfs/dbraw/zinc/10/76/92/175107692.db2.gz YCKCANKQFFKZIW-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805601 175107717 /nfs/dbraw/zinc/10/77/17/175107717.db2.gz KSRZSDYBCAFCET-BBWFWOEESA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](CCC)CC1)c1ccccc1 ZINC000043805599 175107891 /nfs/dbraw/zinc/10/78/91/175107891.db2.gz QOIDUYXVLMNEHW-GOSISDBHSA-N 2 0 289.467 2.755 10 0 CFAERP CC[NH2+][C@H](c1ccccc1)[C@@H](CC)N1CC[NH+](CC)CC1 ZINC000043806107 175108130 /nfs/dbraw/zinc/10/81/30/175108130.db2.gz NGIZCAHXXSJKNE-QZTJIDSGSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(C(C)C)cc2)CC1 ZINC000043805889 175108153 /nfs/dbraw/zinc/10/81/53/175108153.db2.gz ZNOOSBIPDOWSBF-SFHVURJKSA-N 2 0 289.467 2.708 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(CC)cc1 ZINC000043811057 175110036 /nfs/dbraw/zinc/11/00/36/175110036.db2.gz IUBAWAGSHAGQQF-GOSISDBHSA-N 2 0 289.467 2.537 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810988 175110341 /nfs/dbraw/zinc/11/03/41/175110341.db2.gz YIBAYRGRAQQFQK-ZACQAIPSSA-N 2 0 295.515 2.817 10 0 CFAERP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815228 175111734 /nfs/dbraw/zinc/11/17/34/175111734.db2.gz JCBWBCVVVFQIRG-QAPCUYQASA-N 2 0 289.467 2.670 10 0 CFAERP CCC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818512 175112842 /nfs/dbraw/zinc/11/28/42/175112842.db2.gz DXIQPJLKPXEMRN-FUHWJXTLSA-N 2 0 289.467 2.753 10 0 CFAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1cc(C)ccc1C ZINC000043818403 175113402 /nfs/dbraw/zinc/11/34/02/175113402.db2.gz BKVVARVTBTXTFQ-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818554 175113629 /nfs/dbraw/zinc/11/36/29/175113629.db2.gz ZMTABGDZBUIEDV-IKGGRYGDSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888997 175117358 /nfs/dbraw/zinc/11/73/58/175117358.db2.gz VQZHMAUTSGPQDZ-HRCADAONSA-N 2 0 298.471 2.771 10 0 CFAERP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000043897360 175119738 /nfs/dbraw/zinc/11/97/38/175119738.db2.gz ZUPDGSSDDXTTDD-QZTJIDSGSA-N 2 0 289.467 2.752 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000043897148 175119940 /nfs/dbraw/zinc/11/99/40/175119940.db2.gz TZGKDTPKNVJRQE-SFHVURJKSA-N 2 0 289.467 2.753 10 0 CFAERP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)C2CCOCC2)c1 ZINC000043898315 175120895 /nfs/dbraw/zinc/12/08/95/175120895.db2.gz NAAPRDAITWSOCV-CYBMUJFWSA-N 2 0 292.423 2.586 10 0 CFAERP CC[NH2+][C@H](CN1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000043907805 175123443 /nfs/dbraw/zinc/12/34/43/175123443.db2.gz IPEAISYJRIPEAF-QGZVFWFLSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965512 175127022 /nfs/dbraw/zinc/12/70/22/175127022.db2.gz TZUPEEUXIWZWCI-LSDHHAIUSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967984 175129067 /nfs/dbraw/zinc/12/90/67/175129067.db2.gz QSNFJKFPLFVQQA-JQHSSLGASA-N 2 0 293.499 2.571 10 0 CFAERP CCC[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967778 175129297 /nfs/dbraw/zinc/12/92/97/175129297.db2.gz MKVNGTAIWDGWGO-ROUUACIJSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000043970727 175131709 /nfs/dbraw/zinc/13/17/09/175131709.db2.gz VLPBUHDBVQKQEK-IRXDYDNUSA-N 2 0 283.504 2.817 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000043970729 175131978 /nfs/dbraw/zinc/13/19/78/175131978.db2.gz VLPBUHDBVQKQEK-SJORKVTESA-N 2 0 283.504 2.817 10 0 CFAERP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](CCOC)[C@@H](C)CC ZINC000043973368 175132602 /nfs/dbraw/zinc/13/26/02/175132602.db2.gz NAALTTNZQMYYAI-SOUVJXGZSA-N 2 0 256.434 2.654 10 0 CFAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978241 175133322 /nfs/dbraw/zinc/13/33/22/175133322.db2.gz RPBXUBOJUZQINX-SJORKVTESA-N 2 0 281.488 2.713 10 0 CFAERP CCC[NH2+][C@@H](CN(C)C1CC[NH+](CC)CC1)C(C)(C)C ZINC000043978445 175133430 /nfs/dbraw/zinc/13/34/30/175133430.db2.gz DCKSJUJTFLWYBR-INIZCTEOSA-N 2 0 283.504 2.817 10 0 CFAERP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977838 175133493 /nfs/dbraw/zinc/13/34/93/175133493.db2.gz DHJHHMRYFIUIPU-BPUTZDHNSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+][C@H](C)CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977929 175133680 /nfs/dbraw/zinc/13/36/80/175133680.db2.gz YVEDEWNOIQBWOY-KGLIPLIRSA-N 2 0 256.434 2.512 10 0 CFAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977574 175133721 /nfs/dbraw/zinc/13/37/21/175133721.db2.gz UIZMBWFPYRQVCI-OTRWWLKZSA-N 2 0 282.472 2.900 10 0 CFAERP Cc1ccc([C@H](O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000044169972 175148334 /nfs/dbraw/zinc/14/83/34/175148334.db2.gz CUQRETGIZSCHJU-CRAIPNDOSA-N 2 0 290.451 2.691 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2ccc(C)cc2)[C@H]([NH3+])CC)CC1 ZINC000044418382 175173152 /nfs/dbraw/zinc/17/31/52/175173152.db2.gz PQKMBBKJIXXVBP-MSOLQXFVSA-N 2 0 289.467 2.801 10 0 CFAERP CCC[NH+]1CCN([C@H](c2ccccc2F)[C@@H]([NH3+])CC)CC1 ZINC000044418475 175173293 /nfs/dbraw/zinc/17/32/93/175173293.db2.gz KTECKOSBPMIULR-DLBZAZTESA-N 2 0 293.430 2.632 10 0 CFAERP CCC[NH+]1CCN([C@H](C[NH3+])C[C@H](C)c2ccccc2)CC1 ZINC000044427761 175175427 /nfs/dbraw/zinc/17/54/27/175175427.db2.gz NBHUCHRSIJOVLX-WMZOPIPTSA-N 2 0 289.467 2.535 10 0 CFAERP CCC[NH+]1CCN([C@H](C)[C@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000044471603 175178078 /nfs/dbraw/zinc/17/80/78/175178078.db2.gz YPBRVYLXTQZGNS-AEFFLSMTSA-N 2 0 289.467 2.672 10 0 CFAERP COc1ccc([C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1F ZINC000044512144 175188477 /nfs/dbraw/zinc/18/84/77/175188477.db2.gz GUQUNUJKCUWIHA-NSHDSACASA-N 2 0 266.360 2.566 10 0 CFAERP CC(C)c1nn(C)cc1C[NH2+]CCCC[N@@H+](C)C(C)C ZINC000044573082 175210102 /nfs/dbraw/zinc/21/01/02/175210102.db2.gz QNOUOLQBQJBEAF-UHFFFAOYSA-N 2 0 280.460 2.754 10 0 CFAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1C ZINC000044677457 175227570 /nfs/dbraw/zinc/22/75/70/175227570.db2.gz YNZSIJXXRKKPMO-RKTXRCNFSA-N 2 0 258.409 2.862 10 0 CFAERP C[NH2+][C@H]1CCCc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000044745112 175241571 /nfs/dbraw/zinc/24/15/71/175241571.db2.gz IDTFQDUTZZDJES-KRWDZBQOSA-N 2 0 274.408 2.758 10 0 CFAERP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747570 175243123 /nfs/dbraw/zinc/24/31/23/175243123.db2.gz ZCUYKNZDTHHESG-LRDDRELGSA-N 2 0 262.397 2.699 10 0 CFAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[C@H]2C2CCCC2)CC1 ZINC000045071349 175301079 /nfs/dbraw/zinc/30/10/79/175301079.db2.gz AKQBATSWIPFPIC-KRWDZBQOSA-N 2 0 293.499 2.844 10 0 CFAERP CC[C@H]1CC[N@H+](CCOCCC(C)C)CCC[NH2+]1 ZINC000045109357 175309202 /nfs/dbraw/zinc/30/92/02/175309202.db2.gz UXFGXXSPCORHPY-HNNXBMFYSA-N 2 0 256.434 2.513 10 0 CFAERP CC[C@@H]1CC[N@H+](CCOCCC(C)C)CCC[NH2+]1 ZINC000045109356 175309532 /nfs/dbraw/zinc/30/95/32/175309532.db2.gz UXFGXXSPCORHPY-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP CC(C)[NH2+][C@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371472 175364191 /nfs/dbraw/zinc/36/41/91/175364191.db2.gz RGIRPRLHFMQBNS-QGZVFWFLSA-N 2 0 297.487 2.665 10 0 CFAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C1CCCCC1 ZINC000045379065 175368087 /nfs/dbraw/zinc/36/80/87/175368087.db2.gz GXIVMVRLRRSILG-INIZCTEOSA-N 2 0 284.444 2.702 10 0 CFAERP CCCC[NH+](CCCC)CCCC[C@@](C)([NH2+]C)C(N)=O ZINC000045380583 175368834 /nfs/dbraw/zinc/36/88/34/175368834.db2.gz RYKOSAAOXOJARG-MRXNPFEDSA-N 2 0 285.476 2.522 10 0 CFAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000071142596 176040345 /nfs/dbraw/zinc/04/03/45/176040345.db2.gz UFFXLMDXHQSURS-SMDDNHRTSA-N 2 0 250.411 2.741 10 0 CFAERP COc1ccccc1[C@@H](CC[NH3+])C[NH+]1CCCCC1 ZINC000076676240 177056250 /nfs/dbraw/zinc/05/62/50/177056250.db2.gz QLWUJJXIZPJOQG-AWEZNQCLSA-N 2 0 262.397 2.614 10 0 CFAERP CC[C@H](CC[NH3+])CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079211924 177447766 /nfs/dbraw/zinc/44/77/66/177447766.db2.gz SYMTUTQWAAAAMG-ZDUSSCGKSA-N 2 0 297.487 2.567 10 0 CFAERP CCC[C@@H](CC[NH3+])CCC[NH+]1CCC(COC)CC1 ZINC000079245169 177455347 /nfs/dbraw/zinc/45/53/47/177455347.db2.gz IHCVMHXYWPAOGM-OAHLLOKOSA-N 2 0 270.461 2.890 10 0 CFAERP c1ccc(COCCCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000390554426 262215685 /nfs/dbraw/zinc/21/56/85/262215685.db2.gz FWSIQDDZGLKAJF-QGZVFWFLSA-N 2 0 276.424 2.715 10 0 CFAERP [NH3+]C1CCC([NH2+]CCCCOCc2ccccc2)CC1 ZINC000390603924 262226037 /nfs/dbraw/zinc/22/60/37/262226037.db2.gz ZVIOPSWRUPANPD-UHFFFAOYSA-N 2 0 276.424 2.843 10 0 CFAERP C[C@@H]([NH3+])[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390686221 262240714 /nfs/dbraw/zinc/24/07/14/262240714.db2.gz YAPZCXHTYXLPFD-IZVVFDKHSA-N 2 0 287.451 2.507 10 0 CFAERP CC1(C)C[NH2+][C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000238854028 276138432 /nfs/dbraw/zinc/13/84/32/276138432.db2.gz MDWGXNBHOPYZDH-MRXNPFEDSA-N 2 0 258.409 2.897 10 0 CFAERP C[NH2+]CC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000053664180 277021155 /nfs/dbraw/zinc/02/11/55/277021155.db2.gz BGLOGIFZSOYKGZ-UHFFFAOYSA-N 2 0 255.365 2.671 10 0 CFAERP CC1(C)C[N@H+](C[C@@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261569204 278334534 /nfs/dbraw/zinc/33/45/34/278334534.db2.gz JPUZFWSHDVLHNY-NEPJUHHUSA-N 2 0 260.372 2.871 10 0 CFAERP Cc1[nH+]ccc(N2CCC([C@H](C)[NH3+])CC2)c1Cl ZINC000261552568 279164086 /nfs/dbraw/zinc/16/40/86/279164086.db2.gz NBJJHJBBVCFICJ-VIFPVBQESA-N 2 0 253.777 2.607 10 0 CFAERP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000247109288 281005668 /nfs/dbraw/zinc/00/56/68/281005668.db2.gz SXOULTVFQICTSC-ZACQAIPSSA-N 2 0 295.515 2.817 10 0 CFAERP C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000566004156 290340271 /nfs/dbraw/zinc/34/02/71/290340271.db2.gz YKNQHEZOSQSTFJ-AVGNSLFASA-N 2 0 260.372 2.790 10 0 CFAERP [NH3+]CC[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000070073977 303390132 /nfs/dbraw/zinc/39/01/32/303390132.db2.gz XQTRZLPBPBOUTL-CYBMUJFWSA-N 2 0 255.365 2.800 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000052476622 519743651 /nfs/dbraw/zinc/74/36/51/519743651.db2.gz BDLJDQYTGMMHSG-RRFJBIMHSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)[C@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049307629 519812224 /nfs/dbraw/zinc/81/22/24/519812224.db2.gz LLJMGBZJXXRBFE-HNNXBMFYSA-N 2 0 297.487 2.521 10 0 CFAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182068 519909446 /nfs/dbraw/zinc/90/94/46/519909446.db2.gz FKYYBVOETUKJRK-CVEARBPZSA-N 2 0 282.472 2.903 10 0 CFAERP CC[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CC)CCOCC1 ZINC000052181284 519912598 /nfs/dbraw/zinc/91/25/98/519912598.db2.gz QLQWJTQTGGKXOA-HNNXBMFYSA-N 2 0 268.445 2.657 10 0 CFAERP CCC[NH2+]CCC[C@@H](C)OCC[C@H]1CCC[N@@H+]1C ZINC000052673527 519913393 /nfs/dbraw/zinc/91/33/93/519913393.db2.gz ZLKHIURTUZJFIU-HUUCEWRRSA-N 2 0 256.434 2.656 10 0 CFAERP CCCC[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180924 520398140 /nfs/dbraw/zinc/39/81/40/520398140.db2.gz JSAGJMXICDYXGU-UHFFFAOYSA-N 2 0 270.461 2.903 10 0 CFAERP CCCC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052182582 520484776 /nfs/dbraw/zinc/48/47/76/520484776.db2.gz NNKTZPRZPULPJY-UHFFFAOYSA-N 2 0 280.456 2.800 10 0 CFAERP CCC[C@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049287617 521045838 /nfs/dbraw/zinc/04/58/38/521045838.db2.gz WPOOZBRRFIPSNV-HNNXBMFYSA-N 2 0 297.487 2.665 10 0 CFAERP CCCN(CC[NH+](C)C)c1cccc(Cl)c1C[NH2+]C ZINC000045701522 521658606 /nfs/dbraw/zinc/65/86/06/521658606.db2.gz XUGJJUNRKRKGBG-UHFFFAOYSA-N 2 0 283.847 2.837 10 0 CFAERP C[NH2+]Cc1nc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)cs1 ZINC000052546477 522150369 /nfs/dbraw/zinc/15/03/69/522150369.db2.gz AJWYWNFHXNWSLE-DGCLKSJQSA-N 2 0 267.442 2.873 10 0 CFAERP CC(C)C[C@@H]1CSC(N[C@@H](C)C[NH+]2CCCCC2)=[NH+]1 ZINC000049502360 519275482 /nfs/dbraw/zinc/27/54/82/519275482.db2.gz FQIBQBRLBSLWKF-UONOGXRCSA-N 2 0 283.485 2.968 10 0 CFAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538404 519342583 /nfs/dbraw/zinc/34/25/83/519342583.db2.gz PZGSJUCOYVKGPE-KBRIMQKVSA-N 2 0 275.440 2.697 10 0 CFAERP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453169 519727946 /nfs/dbraw/zinc/72/79/46/519727946.db2.gz UWICYKZTMMCBCC-ZDUSSCGKSA-N 2 0 268.426 2.715 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)OCC[C@H]1CCC[N@@H+]1C ZINC000052673561 519743682 /nfs/dbraw/zinc/74/36/82/519743682.db2.gz DLFSPCSFAOZIAJ-JKSUJKDBSA-N 2 0 270.461 2.902 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507545 519743704 /nfs/dbraw/zinc/74/37/04/519743704.db2.gz LCIIOURGFUYDFV-HOTGVXAUSA-N 2 0 270.461 2.902 10 0 CFAERP CC(C)C[NH2+]Cc1occc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453663 519748748 /nfs/dbraw/zinc/74/87/48/519748748.db2.gz ZONOLMTXQXFJMB-CQSZACIVSA-N 2 0 282.453 2.963 10 0 CFAERP CC(C)C[NH2+]Cc1occc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453665 519749484 /nfs/dbraw/zinc/74/94/84/519749484.db2.gz ZONOLMTXQXFJMB-AWEZNQCLSA-N 2 0 282.453 2.963 10 0 CFAERP CCCC1CC[NH+](CC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000050893174 519900662 /nfs/dbraw/zinc/90/06/62/519900662.db2.gz ZJDAUEXRFUNNSY-UHFFFAOYSA-N 2 0 289.423 2.596 10 0 CFAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCSC ZINC000069444450 519908059 /nfs/dbraw/zinc/90/80/59/519908059.db2.gz BNDQELOVDBZWLV-AGUYFDCRSA-N 2 0 256.459 2.735 10 0 CFAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054628534 519908652 /nfs/dbraw/zinc/90/86/52/519908652.db2.gz FONJUXSUUOMGOB-BMRXWSCTSA-N 2 0 266.429 2.549 10 0 CFAERP CCC[NH2+]CCCC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545267 519911935 /nfs/dbraw/zinc/91/19/35/519911935.db2.gz YNIGLJQKOILNKK-AWEZNQCLSA-N 2 0 256.434 2.513 10 0 CFAERP CC[NH2+]CC1(C[NH+]2CCCCCCC2)CCOCC1 ZINC000052181095 519912885 /nfs/dbraw/zinc/91/28/85/519912885.db2.gz SGGRNFWVGLPFKM-UHFFFAOYSA-N 2 0 268.445 2.659 10 0 CFAERP CC[NH2+]CCCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418224 519919479 /nfs/dbraw/zinc/91/94/79/519919479.db2.gz MOWNFIZUTXTCCW-UHFFFAOYSA-N 2 0 293.430 2.728 10 0 CFAERP CC[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417331 519920120 /nfs/dbraw/zinc/92/01/20/519920120.db2.gz RFVMSYJDKAXCIQ-INIZCTEOSA-N 2 0 275.440 2.587 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccoc2C)O1 ZINC000052346607 519936747 /nfs/dbraw/zinc/93/67/47/519936747.db2.gz VTNIICPJGXIROE-CVEARBPZSA-N 2 0 280.412 2.567 10 0 CFAERP CCC[NH2+]Cc1cc(C[N@H+](CC)CCOC)c(C)o1 ZINC000052542795 519945848 /nfs/dbraw/zinc/94/58/48/519945848.db2.gz NGYISBMVOBAJEP-UHFFFAOYSA-N 2 0 268.401 2.556 10 0 CFAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCCCCC2)O1 ZINC000052482117 519954230 /nfs/dbraw/zinc/95/42/30/519954230.db2.gz CDNSLTGNFHNLTI-JKSUJKDBSA-N 2 0 268.445 2.798 10 0 CFAERP CC[NH2+]Cc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000052453544 519996811 /nfs/dbraw/zinc/99/68/11/519996811.db2.gz BBQZWUFHDXNPEK-HNNXBMFYSA-N 2 0 264.438 2.733 10 0 CFAERP CC[NH2+]Cc1cccc(OC)c1OCCC[NH+]1CCCC1 ZINC000049331965 520005767 /nfs/dbraw/zinc/00/57/67/520005767.db2.gz LHBFVHYBJBXDLA-UHFFFAOYSA-N 2 0 292.423 2.669 10 0 CFAERP CC[NH2+]Cc1cccc(OCC[NH+]2CCC(C)CC2)c1 ZINC000052377017 520006087 /nfs/dbraw/zinc/00/60/87/520006087.db2.gz FBZWBHZLNLLJCA-UHFFFAOYSA-N 2 0 276.424 2.907 10 0 CFAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062979069 520067757 /nfs/dbraw/zinc/06/77/57/520067757.db2.gz LIUZUZRJKNTNEH-OWCLPIDISA-N 2 0 269.477 2.569 10 0 CFAERP CCCC[N@H+](C)CCOc1cccc(C[NH2+]C)c1 ZINC000052417974 520409945 /nfs/dbraw/zinc/40/99/45/520409945.db2.gz NTHIBNNUDDUDQI-UHFFFAOYSA-N 2 0 250.386 2.517 10 0 CFAERP CC[N@H+](CCCC[NH2+]CC(C)C)C[C@@H]1CCCO1 ZINC000052510542 521004294 /nfs/dbraw/zinc/00/42/94/521004294.db2.gz IDVBHTPWCTTZDO-HNNXBMFYSA-N 2 0 256.434 2.513 10 0 CFAERP CC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052377159 521019845 /nfs/dbraw/zinc/01/98/45/521019845.db2.gz GRKJNSQZBAHEOF-CABCVRRESA-N 2 0 268.445 2.654 10 0 CFAERP CC[N@H+](CCCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049313094 521038162 /nfs/dbraw/zinc/03/81/62/521038162.db2.gz PHAMHVHZYWEDJK-FUNVUKJBSA-N 2 0 294.361 2.560 10 0 CFAERP CC[N@H+](CCO)CC1(C[NH2+]C(C)(C)C)CCCCC1 ZINC000051249562 521097356 /nfs/dbraw/zinc/09/73/56/521097356.db2.gz ZYWRAJHNKGTSRG-UHFFFAOYSA-N 2 0 270.461 2.639 10 0 CFAERP CCCC[C@@](CC)(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000069380845 521120881 /nfs/dbraw/zinc/12/08/81/521120881.db2.gz ZKTGSFOAHPMCSL-KRWDZBQOSA-N 2 0 281.488 2.844 10 0 CFAERP CC[N@H+](CCOc1cccc(C[NH2+]C)c1)C(C)C ZINC000052446812 521150152 /nfs/dbraw/zinc/15/01/52/521150152.db2.gz IFCKQEBJUJIEMQ-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CCC(C)(C)[N@H+](C)Cc1cc(C[NH3+])ccc1OC 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C[NH2+]C[C@@H](C)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443886 522029070 /nfs/dbraw/zinc/02/90/70/522029070.db2.gz UBRMKNIQZDKCLT-OAHLLOKOSA-N 2 0 260.425 2.797 10 0 CFAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C(C)(C)C)CC2)O1 ZINC000052373672 522058859 /nfs/dbraw/zinc/05/88/59/522058859.db2.gz KKLJZNSKIRZVCN-GJZGRUSLSA-N 2 0 268.445 2.512 10 0 CFAERP COC(C)(C)C[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197466 522495622 /nfs/dbraw/zinc/49/56/22/522495622.db2.gz NGJCHJXAPRBNFT-HIFRSBDPSA-N 2 0 268.445 2.654 10 0 CFAERP CC[C@@H]([NH3+])Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049334127 522643274 /nfs/dbraw/zinc/64/32/74/522643274.db2.gz BATLVSOGGCBDMT-MRXNPFEDSA-N 2 0 276.424 2.831 10 0 CFAERP COC1CC[NH+](Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052455314 522706869 /nfs/dbraw/zinc/70/68/69/522706869.db2.gz OWSZXBRHXGQOCW-UHFFFAOYSA-N 2 0 274.364 2.502 10 0 CFAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)C[C@@H]1CCCO1 ZINC000052541033 522729400 /nfs/dbraw/zinc/72/94/00/522729400.db2.gz ZNUWHYRFGBLKQL-AWEZNQCLSA-N 2 0 256.434 2.656 10 0 CFAERP C[N@H+](CCCC[NH2+]C1CC1)Cc1ccccc1F ZINC000052541344 522734946 /nfs/dbraw/zinc/73/49/46/522734946.db2.gz SCLHUZAEBXVKEJ-UHFFFAOYSA-N 2 0 250.361 2.790 10 0 CFAERP CC[C@@H]1C[N@H+](CCCCC[NH2+]CC(C)C)CCO1 ZINC000052477307 523438028 /nfs/dbraw/zinc/43/80/28/523438028.db2.gz REKIYJGQKJXPRD-OAHLLOKOSA-N 2 0 256.434 2.513 10 0 CFAERP CCn1cc[nH+]c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000050608296 523549873 /nfs/dbraw/zinc/54/98/73/523549873.db2.gz LEXKQXGZXAQHHI-UHFFFAOYSA-N 2 0 284.407 2.980 10 0 CFAERP CCn1cc[nH+]c1NCCC[N@@H+]1CCCC[C@H]1C ZINC000050608290 523549969 /nfs/dbraw/zinc/54/99/69/523549969.db2.gz SMHIEMDTCQBWJZ-CYBMUJFWSA-N 2 0 250.390 2.579 10 0 CFAERP CN([C@@H](C[NH2+]C1CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000052419950 523624033 /nfs/dbraw/zinc/62/40/33/523624033.db2.gz WZMAIRNUMBQJHD-SFHVURJKSA-N 2 0 287.451 2.506 10 0 CFAERP COCC[N@H+](C[C@@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545316 523729176 /nfs/dbraw/zinc/72/91/76/523729176.db2.gz SMKQNHPLCYPHKI-GJZGRUSLSA-N 2 0 270.461 2.615 10 0 CFAERP COCC[N@H+](Cc1cc(F)ccc1C[NH3+])[C@H](C)C1CC1 ZINC000069401443 523739310 /nfs/dbraw/zinc/73/93/10/523739310.db2.gz PUJPYRRAWHJLBU-GFCCVEGCSA-N 2 0 280.387 2.531 10 0 CFAERP C[NH+](C)CC1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052857299 524050414 /nfs/dbraw/zinc/05/04/14/524050414.db2.gz HNHFCIPRPPUOOM-UHFFFAOYSA-N 2 0 281.831 2.577 10 0 CFAERP C[C@@H]1CCC[N@H+](CCOc2ccc(CC[NH3+])cc2)[C@@H]1C ZINC000050563602 524229975 /nfs/dbraw/zinc/22/99/75/524229975.db2.gz PCBVITIMLIIBLN-HUUCEWRRSA-N 2 0 276.424 2.687 10 0 CFAERP C[C@@H](CCC[NH3+])[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443473 524457902 /nfs/dbraw/zinc/45/79/02/524457902.db2.gz MLYYDFXVVHCGEI-ZDUSSCGKSA-N 2 0 281.831 2.589 10 0 CFAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000049557295 524473268 /nfs/dbraw/zinc/47/32/68/524473268.db2.gz CZTVSIGLKSHTMH-KSSFIOAISA-N 2 0 286.419 2.803 10 0 CFAERP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380899 524634255 /nfs/dbraw/zinc/63/42/55/524634255.db2.gz GOKPAMCOSGRJID-KBPBESRZSA-N 2 0 274.408 2.548 10 0 CFAERP Cc1cc(C[NH2+]CCCC[N@@H+](C)C(C)C)c(C)n1C ZINC000052790542 524756276 /nfs/dbraw/zinc/75/62/76/524756276.db2.gz FFDGSARWSTZIKQ-UHFFFAOYSA-N 2 0 265.445 2.852 10 0 CFAERP COc1cccc(C2CC([NH2+][C@@H](C)CC[NH+](C)C)C2)c1 ZINC000049553940 525860090 /nfs/dbraw/zinc/86/00/90/525860090.db2.gz WWJDXRYCSBOMNY-JEYLPNPQSA-N 2 0 276.424 2.871 10 0 CFAERP Cc1oc(C[NH3+])cc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424666 526770153 /nfs/dbraw/zinc/77/01/53/526770153.db2.gz BAODNKWAVYCZRE-UHFFFAOYSA-N 2 0 258.365 2.987 10 0 CFAERP [NH3+]C1CCC([NH2+][C@H]2CSCc3ccccc32)CC1 ZINC000051694456 527141781 /nfs/dbraw/zinc/14/17/81/527141781.db2.gz ZFIQRWRQIYBUER-PIMMBPRGSA-N 2 0 262.422 2.834 10 0 CFAERP [NH3+]C[C@H]1CC[C@@H](C[NH+]2CCC3(CCCCC3)CC2)O1 ZINC000061822958 527239113 /nfs/dbraw/zinc/23/91/13/527239113.db2.gz VNWYGJMXKJKUAO-CABCVRRESA-N 2 0 266.429 2.539 10 0 CFAERP [NH3+]Cc1coc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000052373105 527264379 /nfs/dbraw/zinc/26/43/79/527264379.db2.gz OBLSOGAMSUVOPR-HNNXBMFYSA-N 2 0 256.349 2.728 10 0 CFAERP [NH3+]Cc1ncccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061656635 527266036 /nfs/dbraw/zinc/26/60/36/527266036.db2.gz BXVBHYJLHHWNHO-ZIAGYGMSSA-N 2 0 259.397 2.552 10 0 CFAERP Nc1cc(F)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069399798 527455047 /nfs/dbraw/zinc/45/50/47/527455047.db2.gz WIKVWMPTUXCFMJ-UHFFFAOYSA-N 2 0 291.414 2.716 10 0 CFAERP CC1(C)[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423350335 527871681 /nfs/dbraw/zinc/87/16/81/527871681.db2.gz XJHNPCQBQLBWLJ-BBWFWOEESA-N 2 0 288.435 2.569 10 0 CFAERP CC1(C)[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423350337 527871924 /nfs/dbraw/zinc/87/19/24/527871924.db2.gz XJHNPCQBQLBWLJ-GVDBMIGSSA-N 2 0 288.435 2.569 10 0 CFAERP CSC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000235089823 618079958 /nfs/dbraw/zinc/07/99/58/618079958.db2.gz ZZERDYNVRSLZAX-CYBMUJFWSA-N 2 0 256.459 2.784 10 0 CFAERP CC(C)[C@@H](C[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC000020200605 618801428 /nfs/dbraw/zinc/80/14/28/618801428.db2.gz LSEALLODVVFTHE-QGZVFWFLSA-N 2 0 260.425 2.939 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@H]12 ZINC000261621032 619178923 /nfs/dbraw/zinc/17/89/23/619178923.db2.gz UUTKRDGQVKBBPZ-HZSPNIEDSA-N 2 0 266.335 2.793 10 0 CFAERP CC[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(OC)cc1 ZINC000089149036 623577475 /nfs/dbraw/zinc/57/74/75/623577475.db2.gz ZJKHMHCYJXGWTD-KBMXLJTQSA-N 2 0 262.397 2.863 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089149397 623588697 /nfs/dbraw/zinc/58/86/97/623588697.db2.gz VSNRIHKVDALSQM-JGGQBBKZSA-N 2 0 262.397 2.863 10 0 CFAERP Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000127302423 644008663 /nfs/dbraw/zinc/00/86/63/644008663.db2.gz OIVZADUVSWJLAU-OLZOCXBDSA-N 2 0 255.365 2.717 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000250662654 650977658 /nfs/dbraw/zinc/97/76/58/650977658.db2.gz QQCVSWTZPDQKKY-BJDJZHNGSA-N 2 0 264.335 2.825 10 0 CFAERP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1cc(F)ccc1F ZINC000252678187 651016164 /nfs/dbraw/zinc/01/61/64/651016164.db2.gz FELINMMEVDMZOR-BHDSKKPTSA-N 2 0 254.324 2.743 10 0 CFAERP CC[C@@](C)(O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162025052 529509070 /nfs/dbraw/zinc/50/90/70/529509070.db2.gz VWLDNGIJTRMXEH-QGZVFWFLSA-N 2 0 282.472 2.735 10 0 CFAERP CC[NH+](CC)CCNc1cc[nH+]c2cc3c(cc12)OCO3 ZINC000034548807 346318464 /nfs/dbraw/zinc/31/84/64/346318464.db2.gz XRYRKYXKOFOWDS-UHFFFAOYSA-N 2 0 287.363 2.717 10 0 CFAERP CCC[NH+](CCC)[C@@H]1CNc2c(C[NH3+])cccc2C1 ZINC000034741374 346318898 /nfs/dbraw/zinc/31/88/98/346318898.db2.gz JWIFZHGWAAXFMM-HNNXBMFYSA-N 2 0 261.413 2.604 10 0 CFAERP C[N@@H+]1CCC[C@@H]([NH2+]CCCOC2CCCCC2)CC1 ZINC000086817418 179345248 /nfs/dbraw/zinc/34/52/48/179345248.db2.gz PVYOORFHYCNGMN-OAHLLOKOSA-N 2 0 268.445 2.800 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817135 179345406 /nfs/dbraw/zinc/34/54/06/179345406.db2.gz ZRCFZQUEITZPBG-CVEARBPZSA-N 3 0 269.477 2.571 10 0 CFAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848393 179356365 /nfs/dbraw/zinc/35/63/65/179356365.db2.gz KRAZHLLKFDMGAI-KRWDZBQOSA-N 2 0 293.430 2.855 10 0 CFAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000086836373 179352202 /nfs/dbraw/zinc/35/22/02/179352202.db2.gz GTOXOFMFZGFXFM-GOEBONIOSA-N 2 0 261.413 2.995 10 0 CFAERP CCCN(CCC)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846499 179354905 /nfs/dbraw/zinc/35/49/05/179354905.db2.gz NTKAMNVPWLJMJT-MRXNPFEDSA-N 2 0 269.477 2.700 10 0 CFAERP Clc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000128882477 187395635 /nfs/dbraw/zinc/39/56/35/187395635.db2.gz VIFYANQVCKXHNB-AWEZNQCLSA-N 2 0 252.789 2.614 10 0 CFAERP Clc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000128882246 187396329 /nfs/dbraw/zinc/39/63/29/187396329.db2.gz VIFYANQVCKXHNB-CQSZACIVSA-N 2 0 252.789 2.614 10 0 CFAERP CC[C@@H](C[NH3+])CC[NH2+]Cc1ccc(Br)s1 ZINC000087999720 179534375 /nfs/dbraw/zinc/53/43/75/179534375.db2.gz XQVVRLSAMGMOLI-SECBINFHSA-N 2 0 291.258 2.975 10 0 CFAERP [NH3+]CCCNc1c2ccccc2[nH+]c2c1CCCCC2 ZINC000584904551 348733699 /nfs/dbraw/zinc/73/36/99/348733699.db2.gz CSVKJTHUOPVDSY-UHFFFAOYSA-N 2 0 269.392 2.686 10 0 CFAERP [NH3+]Cc1ccc(-c2cncn2CCc2ccc(F)cc2)cn1 ZINC000584630050 348695259 /nfs/dbraw/zinc/69/52/59/348695259.db2.gz UXFMMURKJPSJOM-UHFFFAOYSA-N 2 0 296.349 2.786 10 0 CFAERP [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc(C[NH+]2CCCC2)c1 ZINC000089148720 179724448 /nfs/dbraw/zinc/72/44/48/179724448.db2.gz NGZSPEDSEURBCL-DOTOQJQBSA-N 2 0 273.424 2.822 10 0 CFAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC1CCCC1 ZINC000104447809 186005642 /nfs/dbraw/zinc/00/56/42/186005642.db2.gz KMPOETWKHZYJTP-GOOCMWNKSA-N 2 0 266.429 2.551 10 0 CFAERP Cc1ncsc1C[N@H+](C)CCC[C@@H]1CCCC[NH2+]1 ZINC000104443323 186003817 /nfs/dbraw/zinc/00/38/17/186003817.db2.gz IXCDXJRDWDQZDB-ZDUSSCGKSA-N 2 0 267.442 2.806 10 0 CFAERP C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631837094 355599935 /nfs/dbraw/zinc/59/99/35/355599935.db2.gz MUBWVVQDILZCTJ-JQWIXIFHSA-N 2 0 288.313 2.612 10 0 CFAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840524 355602696 /nfs/dbraw/zinc/60/26/96/355602696.db2.gz SYTUZBMIRYQPOU-NJZAAPMLSA-N 2 0 250.361 2.803 10 0 CFAERP C[C@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631839518 355602938 /nfs/dbraw/zinc/60/29/38/355602938.db2.gz HHCCPKGTIWALGN-BBRMVZONSA-N 2 0 254.377 2.866 10 0 CFAERP CCN1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641270 540774681 /nfs/dbraw/zinc/77/46/81/540774681.db2.gz YBSHPZDZTWXXTO-OAHLLOKOSA-N 2 0 257.381 2.742 10 0 CFAERP COc1ccc([C@H](C)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000180230385 189244888 /nfs/dbraw/zinc/24/48/88/189244888.db2.gz CTANBIMKIQBPBV-HUUCEWRRSA-N 2 0 276.424 2.682 10 0 CFAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CC[NH2+]C1 ZINC000400462982 299376500 /nfs/dbraw/zinc/37/65/00/299376500.db2.gz VEGMTMPYYJGXBK-NNYUYHANSA-N 2 0 264.335 2.695 10 0 CFAERP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000020200438 372234695 /nfs/dbraw/zinc/23/46/95/372234695.db2.gz CUDYWTLBOYXONU-HZPDHXFCSA-N 2 0 295.515 2.817 10 0 CFAERP CC[NH+](CC)CCNc1cc[nH+]c2cc(N)ccc12 ZINC000027101675 372334807 /nfs/dbraw/zinc/33/48/07/372334807.db2.gz DOYPFMZDMUCIOD-UHFFFAOYSA-N 2 0 258.369 2.571 10 0 CFAERP F[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000334494378 294731398 /nfs/dbraw/zinc/73/13/98/294731398.db2.gz DMAFSIROIZWPCT-JSGCOSHPSA-N 2 0 254.393 2.874 10 0 CFAERP Cc1ccc2[nH+]ccc(NCC3CC[NH2+]CC3)c2c1 ZINC000073738636 374376550 /nfs/dbraw/zinc/37/65/50/374376550.db2.gz GCGLOCCDSBAQNJ-UHFFFAOYSA-N 2 0 255.365 2.955 10 0 CFAERP CCC[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)[NH+](C)C ZINC000092229114 375098317 /nfs/dbraw/zinc/09/83/17/375098317.db2.gz WOHGLTXAZOKDCG-INIZCTEOSA-N 2 0 291.439 2.725 10 0 CFAERP C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000111824642 375872133 /nfs/dbraw/zinc/87/21/33/375872133.db2.gz WNUKTNOZGZALMK-AWEZNQCLSA-N 2 0 252.789 2.914 10 0 CFAERP C[C@H]1C[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133928230 377968764 /nfs/dbraw/zinc/96/87/64/377968764.db2.gz OFMLEPYMCWMSOG-WMLDXEAASA-N 2 0 287.451 2.715 10 0 CFAERP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000400493079 380862563 /nfs/dbraw/zinc/86/25/63/380862563.db2.gz ZWNWDJOYUMILCH-JQWIXIFHSA-N 2 0 272.314 2.793 10 0 CFAERP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1F ZINC000400354892 380857284 /nfs/dbraw/zinc/85/72/84/380857284.db2.gz LSMZSNPVIJQTRS-OUCADQQQSA-N 2 0 250.361 2.783 10 0 CFAERP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000400443305 380859449 /nfs/dbraw/zinc/85/94/49/380859449.db2.gz MYPCNWMQNCXDIT-JQWIXIFHSA-N 2 0 272.314 2.793 10 0 CFAERP Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400428539 380860080 /nfs/dbraw/zinc/86/00/80/380860080.db2.gz ZJVBENCXABWMOQ-CYZMBNFOSA-N 2 0 252.427 2.575 10 0 CFAERP C[C@H]([NH2+]CCCCOCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400459224 380861540 /nfs/dbraw/zinc/86/15/40/380861540.db2.gz RAAZMYAPHVELTJ-RDJZCZTQSA-N 2 0 276.424 2.571 10 0 CFAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)n1 ZINC000189367663 382599114 /nfs/dbraw/zinc/59/91/14/382599114.db2.gz XEFPSNNMUMOWBB-HOTGVXAUSA-N 2 0 289.423 2.693 10 0 CFAERP COc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1Br ZINC000575438222 382771131 /nfs/dbraw/zinc/77/11/31/382771131.db2.gz FKIWUTKQQDEKQM-NSHDSACASA-N 2 0 287.201 2.587 10 0 CFAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Br)cc1F ZINC000575439542 382771359 /nfs/dbraw/zinc/77/13/59/382771359.db2.gz FYZRQMYFAALRIJ-NSHDSACASA-N 2 0 275.165 2.717 10 0 CFAERP CN(Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231457418 382865145 /nfs/dbraw/zinc/86/51/45/382865145.db2.gz NUWLTLFOGLFDOE-GFCCVEGCSA-N 2 0 254.324 2.539 10 0 CFAERP Cc1scc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000635015490 383471781 /nfs/dbraw/zinc/47/17/81/383471781.db2.gz BKWRNGWDEJCMHA-DGCLKSJQSA-N 2 0 252.427 2.843 10 0 CFAERP [NH3+]C[C@@H]1CCCCN1CCSCc1ccccc1 ZINC000261743634 383550632 /nfs/dbraw/zinc/55/06/32/383550632.db2.gz BPJWWQWMRHOKQM-HNNXBMFYSA-N 2 0 264.438 2.733 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000261564231 383513754 /nfs/dbraw/zinc/51/37/54/383513754.db2.gz XPJIIQSQVFEVIC-IACUBPJLSA-N 2 0 250.773 2.509 10 0 CFAERP CC1(C)CCC(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000261572605 383515901 /nfs/dbraw/zinc/51/59/01/383515901.db2.gz LTRNMQZJEVOZTJ-ZNMIVQPWSA-N 2 0 250.430 2.872 10 0 CFAERP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000261596569 383525755 /nfs/dbraw/zinc/52/57/55/383525755.db2.gz AHXZXNSLRMDYCD-BBWFWOEESA-N 2 0 281.403 2.712 10 0 CFAERP Cc1cc2cc(CN3C[C@H]([NH3+])[C@@H](C)C3)oc2cc1C ZINC000261924623 383580406 /nfs/dbraw/zinc/58/04/06/383580406.db2.gz BZVROFXKGKEXGA-WFASDCNBSA-N 2 0 258.365 2.829 10 0 CFAERP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261986729 383590901 /nfs/dbraw/zinc/59/09/01/383590901.db2.gz RYHGZALTICIBRI-JGGQBBKZSA-N 2 0 262.372 2.557 10 0 CFAERP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034509 383597546 /nfs/dbraw/zinc/59/75/46/383597546.db2.gz OKNWPXKSTDQONM-BZUAXINKSA-N 2 0 280.456 2.656 10 0 CFAERP Cc1cccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262038262 383598877 /nfs/dbraw/zinc/59/88/77/383598877.db2.gz XYUKRGVUQBYGQQ-DOTOQJQBSA-N 2 0 258.409 2.784 10 0 CFAERP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261823070 383565977 /nfs/dbraw/zinc/56/59/77/383565977.db2.gz IMVQFGJUGJGYDQ-IHRRRGAJSA-N 2 0 287.432 2.774 10 0 CFAERP CC(C)[NH2+][C@@H](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095088351 184938916 /nfs/dbraw/zinc/93/89/16/184938916.db2.gz FBSCZHFYQXYOKH-SFHVURJKSA-N 2 0 290.451 2.648 10 0 CFAERP C[C@H](CC[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263390 393686182 /nfs/dbraw/zinc/68/61/82/393686182.db2.gz ZEUFEDKGNARNQM-AEFFLSMTSA-N 2 0 290.451 2.617 10 0 CFAERP C([NH2+][C@@H]1CCC[NH2+]CC1)C(C1CCC1)C1CCC1 ZINC000530212323 394482082 /nfs/dbraw/zinc/48/20/82/394482082.db2.gz QDAXBJKKGDYIFJ-OAHLLOKOSA-N 2 0 250.430 2.935 10 0 CFAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@@H]12 ZINC000389222813 397539560 /nfs/dbraw/zinc/53/95/60/397539560.db2.gz WYBLVYSWJKIGBF-DJIMGWMZSA-N 2 0 256.393 2.733 10 0 CFAERP CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128349 171014412 /nfs/dbraw/zinc/01/44/12/171014412.db2.gz MRMPTFGZKCWEEH-BZSNNMDCSA-N 2 0 295.515 2.674 10 0 CFAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179659 171044402 /nfs/dbraw/zinc/04/44/02/171044402.db2.gz HLLVJDUVLBBDQM-MRXNPFEDSA-N 2 0 295.858 2.613 10 0 CFAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000020365675 171164123 /nfs/dbraw/zinc/16/41/23/171164123.db2.gz SJMLIIVPCOMSTD-HOTGVXAUSA-N 2 0 299.503 2.637 10 0 CFAERP COC(C)(C)C[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000020524600 171237766 /nfs/dbraw/zinc/23/77/66/171237766.db2.gz RENOWKUUBYJMSH-AWEZNQCLSA-N 2 0 256.434 2.656 10 0 CFAERP C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152268 171359801 /nfs/dbraw/zinc/35/98/01/171359801.db2.gz WTFBONZDUCITTC-AWEZNQCLSA-N 2 0 289.423 2.738 10 0 CFAERP COc1cc(C[NH2+]C(C)(C)C)ccc1OCC[NH+](C)C ZINC000032127060 171713885 /nfs/dbraw/zinc/71/38/85/171713885.db2.gz FCCDQGQKHMXVSB-UHFFFAOYSA-N 2 0 280.412 2.524 10 0 CFAERP Cc1cc[n+](Cc2ccc(C[n+]3ccc(C)cc3)cc2)cc1 ZINC000033879106 171824063 /nfs/dbraw/zinc/82/40/63/171824063.db2.gz FWAFPPKALBHUQN-UHFFFAOYSA-N 2 0 290.410 2.975 10 0 CFAERP C[N@H+](Cc1ccsc1)Cc1ccc(C(N)=[NH2+])cc1 ZINC000035719299 172373912 /nfs/dbraw/zinc/37/39/12/172373912.db2.gz SADHBORNXCDJKK-UHFFFAOYSA-N 2 0 259.378 2.664 10 0 CFAERP CCC[N@H+](CCOc1ccc(C[NH3+])cc1)C(C)C ZINC000037095633 172950039 /nfs/dbraw/zinc/95/00/39/172950039.db2.gz CTYYUJDTJZVUMR-UHFFFAOYSA-N 2 0 250.386 2.645 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2cccs2)CC1 ZINC000037221145 173040658 /nfs/dbraw/zinc/04/06/58/173040658.db2.gz FMVIEGPYRKPMDN-GFCCVEGCSA-N 2 0 252.427 2.958 10 0 CFAERP C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000037221931 173042600 /nfs/dbraw/zinc/04/26/00/173042600.db2.gz NVFKUCIVSKYEOY-JSGCOSHPSA-N 2 0 250.361 2.646 10 0 CFAERP Cc1cc(NCC2([NH3+])CCCC2)c2ccccc2[nH+]1 ZINC000656610997 414617771 /nfs/dbraw/zinc/61/77/71/414617771.db2.gz YARHDIJCMQZYKT-UHFFFAOYSA-N 2 0 255.365 2.649 10 0 CFAERP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH2+]CC1 ZINC000038041088 174041189 /nfs/dbraw/zinc/04/11/89/174041189.db2.gz GXLQKOLRVFETOX-NSHDSACASA-N 2 0 252.789 2.613 10 0 CFAERP C[C@@H]([NH3+])c1c(F)cccc1OCC[C@H]1CCC[N@@H+]1C ZINC000040240645 174213720 /nfs/dbraw/zinc/21/37/20/174213720.db2.gz UJYRQFVQOUPGEW-VXGBXAGGSA-N 2 0 266.360 2.709 10 0 CFAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)C1 ZINC000040502620 174298771 /nfs/dbraw/zinc/29/87/71/174298771.db2.gz KGASVIPWUVWDJT-BRWVUGGUSA-N 2 0 281.488 2.571 10 0 CFAERP [NH3+]CC1(N2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000040693789 174377832 /nfs/dbraw/zinc/37/78/32/174377832.db2.gz OHUDJSMPVPNILK-UHFFFAOYSA-N 2 0 279.472 2.598 10 0 CFAERP [NH3+]C[C@@H](C1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693775 174377979 /nfs/dbraw/zinc/37/79/79/174377979.db2.gz RRQHHBPWYIJYAY-SFHVURJKSA-N 2 0 293.499 2.844 10 0 CFAERP CCN(Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747538 174392859 /nfs/dbraw/zinc/39/28/59/174392859.db2.gz KFDOYMSJMTXWNO-YIONKMFJSA-N 2 0 262.372 2.931 10 0 CFAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Cl)c1 ZINC000040749398 174393652 /nfs/dbraw/zinc/39/36/52/174393652.db2.gz VYBOTNULBYALAD-AGUYFDCRSA-N 2 0 250.773 2.794 10 0 CFAERP CC1(C)Cc2c(ccn2[C@@H]2C[NH+]3CCC2CC3)[C@@H]([NH3+])C1 ZINC000041725409 174618881 /nfs/dbraw/zinc/61/88/81/174618881.db2.gz FASHOXRKXWGLMS-GOEBONIOSA-N 2 0 273.424 2.727 10 0 CFAERP Cc1cc2c(n1CC[NH+]1CCCCC1)CCC[C@@H]2[NH3+] ZINC000041733236 174620328 /nfs/dbraw/zinc/62/03/28/174620328.db2.gz BZWAQMUUGICHFF-HNNXBMFYSA-N 2 0 261.413 2.619 10 0 CFAERP CC(C)CC[N@H+](C)CCOc1cccc(C[NH3+])c1 ZINC000042456398 174747844 /nfs/dbraw/zinc/74/78/44/174747844.db2.gz AUVVILZBOMJEPQ-UHFFFAOYSA-N 2 0 250.386 2.502 10 0 CFAERP Cc1cc([C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C)c(C)s1 ZINC000042744495 174864458 /nfs/dbraw/zinc/86/44/58/174864458.db2.gz XKVXWBVHIKSKOV-INIZCTEOSA-N 2 0 297.512 2.884 10 0 CFAERP CC(C)CN(CC[NH+](C)C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973093 174936799 /nfs/dbraw/zinc/93/67/99/174936799.db2.gz MSNAJPBZOYQXMT-RHSMWYFYSA-N 2 0 295.446 2.734 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N1CC[NH+](CC2CC2)CC1 ZINC000043123486 174976719 /nfs/dbraw/zinc/97/67/19/174976719.db2.gz HSMAHFWXOUBHFA-HOTGVXAUSA-N 2 0 293.480 2.554 10 0 CFAERP CC[NH+](CC)CCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] ZINC000043460063 175051067 /nfs/dbraw/zinc/05/10/67/175051067.db2.gz AHOHMIXGHUECSC-OAHLLOKOSA-N 2 0 292.423 2.968 10 0 CFAERP [NH3+]Cc1ccc(OCC[NH+]2CCCCC2)c(Cl)c1 ZINC000043477686 175055234 /nfs/dbraw/zinc/05/52/34/175055234.db2.gz JOZOJQAYXUTAOL-UHFFFAOYSA-N 2 0 268.788 2.663 10 0 CFAERP CCC(CC)[N@H+](CCC[C@@H]1CCC[NH2+]C1)CCOC ZINC000043592078 175074269 /nfs/dbraw/zinc/07/42/69/175074269.db2.gz FBIZWSJWKQGBTO-HNNXBMFYSA-N 2 0 270.461 2.903 10 0 CFAERP C[C@H](Cc1ccco1)[NH2+]CCC[C@@H]1CCC[NH2+]C1 ZINC000043592031 175074327 /nfs/dbraw/zinc/07/43/27/175074327.db2.gz LFBIYWZZIQUYHZ-KGLIPLIRSA-N 2 0 250.386 2.580 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806206 175108194 /nfs/dbraw/zinc/10/81/94/175108194.db2.gz LWHGGVYNUVMHOP-ZACQAIPSSA-N 2 0 281.488 2.571 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000043806155 175108376 /nfs/dbraw/zinc/10/83/76/175108376.db2.gz GZRAVPDWALIHQX-SFHVURJKSA-N 2 0 289.467 2.673 10 0 CFAERP CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](CC)CC1 ZINC000043806159 175108655 /nfs/dbraw/zinc/10/86/55/175108655.db2.gz STGMPLZMAHJTOU-SJLPKXTDSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000043811021 175110243 /nfs/dbraw/zinc/11/02/43/175110243.db2.gz AFRWTSFNRVBXLC-GOSISDBHSA-N 2 0 289.467 2.592 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[NH+](CCC)CCC)OCCO2 ZINC000043814867 175111874 /nfs/dbraw/zinc/11/18/74/175111874.db2.gz JDTDPGVZOGNKFJ-HZPDHXFCSA-N 2 0 298.471 2.772 10 0 CFAERP C[NH2+][C@H](CN1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000043817793 175113023 /nfs/dbraw/zinc/11/30/23/175113023.db2.gz DWGAFIZHIJAQHF-IAGOWNOFSA-N 2 0 289.467 2.609 10 0 CFAERP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)CC)c1 ZINC000043820715 175113784 /nfs/dbraw/zinc/11/37/84/175113784.db2.gz PVQIQXJCDMYSPP-LBPRGKRZSA-N 2 0 250.386 2.817 10 0 CFAERP CCC[NH2+][C@H]1CCCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818546 175113993 /nfs/dbraw/zinc/11/39/93/175113993.db2.gz WEGZFIPYUREHOL-DLBZAZTESA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888995 175117349 /nfs/dbraw/zinc/11/73/49/175117349.db2.gz VQZHMAUTSGPQDZ-ARFHVFGLSA-N 2 0 298.471 2.771 10 0 CFAERP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000043897361 175119770 /nfs/dbraw/zinc/11/97/70/175119770.db2.gz ZUPDGSSDDXTTDD-ROUUACIJSA-N 2 0 289.467 2.752 10 0 CFAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccc(C)c(C)c1 ZINC000043896986 175120132 /nfs/dbraw/zinc/12/01/32/175120132.db2.gz QYXJWUTVFMIHJJ-SFHVURJKSA-N 2 0 289.467 2.590 10 0 CFAERP CCc1ccc([C@@H](CN2CC[NH+](C(C)C)CC2)[NH2+]C)cc1 ZINC000043896988 175120182 /nfs/dbraw/zinc/12/01/82/175120182.db2.gz LLWSXOXFNLOSIS-GOSISDBHSA-N 2 0 289.467 2.536 10 0 CFAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897547 175120379 /nfs/dbraw/zinc/12/03/79/175120379.db2.gz BJXWQHCKJKAJDT-NJAFHUGGSA-N 2 0 295.515 2.959 10 0 CFAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897438 175120579 /nfs/dbraw/zinc/12/05/79/175120579.db2.gz KDGDWSSUNMLANS-IAGOWNOFSA-N 2 0 281.488 2.713 10 0 CFAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897468 175120667 /nfs/dbraw/zinc/12/06/67/175120667.db2.gz PFUXOYPQPRIAPW-HZPDHXFCSA-N 2 0 269.477 2.569 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904891 175122326 /nfs/dbraw/zinc/12/23/26/175122326.db2.gz VCSJXSGLFIJAGM-XHSDSOJGSA-N 2 0 296.455 2.525 10 0 CFAERP CCC[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)CCOC)c1 ZINC000043916543 175125600 /nfs/dbraw/zinc/12/56/00/175125600.db2.gz JKMKHBCEMDMJLK-CQSZACIVSA-N 2 0 294.439 2.834 10 0 CFAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967786 175129278 /nfs/dbraw/zinc/12/92/78/175129278.db2.gz QMDQZWRFYYAGKM-SZMVWBNQSA-N 2 0 293.499 2.713 10 0 CFAERP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](CC)CCOC)c1 ZINC000043968724 175129415 /nfs/dbraw/zinc/12/94/15/175129415.db2.gz QKJRJIXFQGLZCQ-CQSZACIVSA-N 2 0 294.439 2.834 10 0 CFAERP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970238 175131069 /nfs/dbraw/zinc/13/10/69/175131069.db2.gz GYIJAQUTEGBFMJ-JKSUJKDBSA-N 2 0 270.461 2.902 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970763 175131981 /nfs/dbraw/zinc/13/19/81/175131981.db2.gz WROUVLHGFWRPGH-NXHRZFHOSA-N 2 0 295.515 2.817 10 0 CFAERP CCC[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970767 175132053 /nfs/dbraw/zinc/13/20/53/175132053.db2.gz PTQRGVJYPAFPEI-INIZCTEOSA-N 2 0 283.504 2.674 10 0 CFAERP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977715 175133768 /nfs/dbraw/zinc/13/37/68/175133768.db2.gz OYNYBYIIZVYJJK-IMJJTQAJSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[C@H]([NH2+]C)[C@@H](CC)N(CC[NH+](C)C)CC(C)C ZINC000043982078 175133912 /nfs/dbraw/zinc/13/39/12/175133912.db2.gz RIKQQQGEPPUMAK-JKSUJKDBSA-N 2 0 271.493 2.673 10 0 CFAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982162 175134040 /nfs/dbraw/zinc/13/40/40/175134040.db2.gz NYCSOVDHGCXMGG-ULQDDVLXSA-N 2 0 283.504 2.673 10 0 CFAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N(CC[NH+](C)C)CC(C)C ZINC000043981970 175134391 /nfs/dbraw/zinc/13/43/91/175134391.db2.gz PXSLMMDCDSKXKA-AEFFLSMTSA-N 2 0 291.483 2.855 10 0 CFAERP CCC[NH2+][C@H]1CCCC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982392 175134410 /nfs/dbraw/zinc/13/44/10/175134410.db2.gz BTFSFFSRDPSLTC-DLBZAZTESA-N 2 0 283.504 2.817 10 0 CFAERP CCC[NH+]1CCN([C@@H](c2ccsc2)[C@@H]([NH3+])CC)CC1 ZINC000044418507 175173248 /nfs/dbraw/zinc/17/32/48/175173248.db2.gz PJRWQLCXQQBQSS-GJZGRUSLSA-N 2 0 281.469 2.554 10 0 CFAERP CCOc1ccc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044512037 175188129 /nfs/dbraw/zinc/18/81/29/175188129.db2.gz UIEQIERCTXOARB-CYBMUJFWSA-N 2 0 262.397 2.817 10 0 CFAERP [NH3+]CC1CC[NH+]([C@@H](c2cccs2)C2CC2)CC1 ZINC000044512387 175188188 /nfs/dbraw/zinc/18/81/88/175188188.db2.gz ULJQHWJFODSTET-CQSZACIVSA-N 2 0 250.411 2.870 10 0 CFAERP [NH3+]CC1CC[NH+]([C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000044512011 175188199 /nfs/dbraw/zinc/18/81/99/175188199.db2.gz VESIONZZPWDHMC-SFHVURJKSA-N 2 0 281.403 2.842 10 0 CFAERP COc1ccc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1F ZINC000044512146 175188252 /nfs/dbraw/zinc/18/82/52/175188252.db2.gz GUQUNUJKCUWIHA-LLVKDONJSA-N 2 0 266.360 2.566 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@H](C)CC(C)(C)OC)CC1 ZINC000044517592 175190505 /nfs/dbraw/zinc/19/05/05/175190505.db2.gz PDXDBIZWJSLKEZ-CYBMUJFWSA-N 2 0 256.434 2.512 10 0 CFAERP CN(CC(C)(C)C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000045070748 175301059 /nfs/dbraw/zinc/30/10/59/175301059.db2.gz IJYFIJLTGZKCAE-GOSISDBHSA-N 2 0 289.467 2.568 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045136020 175313594 /nfs/dbraw/zinc/31/35/94/175313594.db2.gz MCIJDSMNFMMFED-ZDUSSCGKSA-N 2 0 272.396 2.657 10 0 CFAERP CCC[NH2+][C@@](C)(CCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420425 175378841 /nfs/dbraw/zinc/37/88/41/175378841.db2.gz GLSIOHXSWRPMKG-KRWDZBQOSA-N 2 0 299.503 2.624 10 0 CFAERP C[N@H+](CCn1ccc2c1CCC[C@H]2[NH3+])C1CCCC1 ZINC000071379203 176143750 /nfs/dbraw/zinc/14/37/50/176143750.db2.gz SHATUJBOZQBLLG-OAHLLOKOSA-N 2 0 261.413 2.699 10 0 CFAERP CC1(C)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000076697545 177061005 /nfs/dbraw/zinc/06/10/05/177061005.db2.gz IIYDMQNCWMPTCT-JKSUJKDBSA-N 2 0 258.409 2.897 10 0 CFAERP CC[NH2+][C@@H](C)c1csc(CC[NH+](CC)CC)n1 ZINC000076810599 177103258 /nfs/dbraw/zinc/10/32/58/177103258.db2.gz TWQUKYNBZXHBFH-NSHDSACASA-N 2 0 255.431 2.698 10 0 CFAERP CC[C@H](CC[NH3+])CCC[NH2+][C@@H](C)Cc1ccco1 ZINC000079214030 177448742 /nfs/dbraw/zinc/44/87/42/177448742.db2.gz LPHLMPMZRHHFFZ-KBPBESRZSA-N 2 0 252.402 2.955 10 0 CFAERP CCC[C@H](CC[NH3+])CCC[NH+]1CCC(COC)CC1 ZINC000079245167 177455602 /nfs/dbraw/zinc/45/56/02/177455602.db2.gz IHCVMHXYWPAOGM-HNNXBMFYSA-N 2 0 270.461 2.890 10 0 CFAERP C[C@H]([NH2+]CC(C1CCC1)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000530213678 270772270 /nfs/dbraw/zinc/77/22/70/270772270.db2.gz UYVZIBFVFLOSMP-SWLSCSKDSA-N 2 0 250.430 2.790 10 0 CFAERP C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000530213677 270772368 /nfs/dbraw/zinc/77/23/68/270772368.db2.gz UYVZIBFVFLOSMP-IUODEOHRSA-N 2 0 250.430 2.790 10 0 CFAERP C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000053204706 277300281 /nfs/dbraw/zinc/30/02/81/277300281.db2.gz DXVBPJNYPYZWOJ-ZDUSSCGKSA-N 2 0 255.365 2.731 10 0 CFAERP Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000227077158 280567555 /nfs/dbraw/zinc/56/75/55/280567555.db2.gz IFMZULRXTQFBBV-SMDDNHRTSA-N 2 0 255.365 2.717 10 0 CFAERP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000127633155 280666595 /nfs/dbraw/zinc/66/65/95/280666595.db2.gz SXOULTVFQICTSC-IXDOHACOSA-N 2 0 295.515 2.817 10 0 CFAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000248175075 281018689 /nfs/dbraw/zinc/01/86/89/281018689.db2.gz VMBYSTKERCHKNX-ZACQAIPSSA-N 2 0 295.515 2.817 10 0 CFAERP C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000566004157 290340287 /nfs/dbraw/zinc/34/02/87/290340287.db2.gz YKNQHEZOSQSTFJ-RWMBFGLXSA-N 2 0 260.372 2.790 10 0 CFAERP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]c4ccccc43)C[C@H]21 ZINC000228551678 295316995 /nfs/dbraw/zinc/31/69/95/295316995.db2.gz RTVNQMDDFIHPIN-NWANDNLSSA-N 2 0 267.376 2.798 10 0 CFAERP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc2[nH+]1 ZINC000261870648 301343926 /nfs/dbraw/zinc/34/39/26/301343926.db2.gz ZATBPKNTTRTHHH-QEJZJMRPSA-N 2 0 267.376 2.717 10 0 CFAERP c1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000133562971 304855314 /nfs/dbraw/zinc/85/53/14/304855314.db2.gz PRSJKXFWJKHMNR-ZWKOTPCHSA-N 2 0 287.451 2.555 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481863 519743591 /nfs/dbraw/zinc/74/35/91/519743591.db2.gz XJVQAVZABNIFCQ-CQSZACIVSA-N 2 0 256.434 2.512 10 0 CFAERP CC(C)C[NH2+]CCC[C@H](C)OCC[C@@H]1CCC[N@@H+]1C ZINC000052673558 519743630 /nfs/dbraw/zinc/74/36/30/519743630.db2.gz DLFSPCSFAOZIAJ-HOTGVXAUSA-N 2 0 270.461 2.902 10 0 CFAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000052541019 519743767 /nfs/dbraw/zinc/74/37/67/519743767.db2.gz NKSRZCXSRAXBGK-CABCVRRESA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181779 519909390 /nfs/dbraw/zinc/90/93/90/519909390.db2.gz ODDXJOCXBWKQGD-AWEZNQCLSA-N 2 0 268.445 2.513 10 0 CFAERP CCOCC[N@H+](CC)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069375046 519909521 /nfs/dbraw/zinc/90/95/21/519909521.db2.gz JBBDKBQBOXATSK-UHFFFAOYSA-N 2 0 296.377 2.795 10 0 CFAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000052381594 519987409 /nfs/dbraw/zinc/98/74/09/519987409.db2.gz DINQQJOAXDMRBU-LBPRGKRZSA-N 2 0 250.386 2.929 10 0 CFAERP CC[NH2+][C@H](C)CCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065113 520172531 /nfs/dbraw/zinc/17/25/31/520172531.db2.gz XGYIKMDZDIQRGT-CVEARBPZSA-N 2 0 269.477 2.571 10 0 CFAERP CCC(C)(C)[N@H+](C)[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000069429336 521307858 /nfs/dbraw/zinc/30/78/58/521307858.db2.gz XJYUNXMFKMZHQG-GFCCVEGCSA-N 2 0 277.412 2.593 10 0 CFAERP CCC[N@H+](CC)CCOc1ccccc1C[NH2+]CC ZINC000052448344 521612154 /nfs/dbraw/zinc/61/21/54/521612154.db2.gz FWGZCXOZIUDGAD-UHFFFAOYSA-N 2 0 264.413 2.907 10 0 CFAERP CC(C)[N@H+](CC1CC1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197819 519640244 /nfs/dbraw/zinc/64/02/44/519640244.db2.gz GVLPEMPAFPZIDB-UHFFFAOYSA-N 2 0 280.456 2.656 10 0 CFAERP CC(C)CC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052545863 519650952 /nfs/dbraw/zinc/65/09/52/519650952.db2.gz UYJKBVAURNKEPY-UHFFFAOYSA-N 2 0 267.417 2.898 10 0 CFAERP CC(C)CCOCC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000049265501 519668745 /nfs/dbraw/zinc/66/87/45/519668745.db2.gz YSHLRMBZPLJBOM-INIZCTEOSA-N 2 0 270.461 2.903 10 0 CFAERP CC(C)C[N@H+](CCCC[NH2+]C(C)(C)C)CCN(C)C ZINC000052503257 519715268 /nfs/dbraw/zinc/71/52/68/519715268.db2.gz MTIPPCVNUSKTNL-UHFFFAOYSA-N 2 0 271.493 2.674 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417536 519723362 /nfs/dbraw/zinc/72/33/62/519723362.db2.gz JOZHCYANTIQTLO-IRXDYDNUSA-N 2 0 276.424 2.664 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CC(C)(C)C)O1 ZINC000052570188 519723521 /nfs/dbraw/zinc/72/35/21/519723521.db2.gz VBDWELGMNCYRHL-KBPBESRZSA-N 2 0 256.434 2.510 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374517 519723884 /nfs/dbraw/zinc/72/38/84/519723884.db2.gz FXKYJTQOZPEGKJ-DLBZAZTESA-N 2 0 274.408 2.548 10 0 CFAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccc(F)c2)O1 ZINC000052425391 519723930 /nfs/dbraw/zinc/72/39/30/519723930.db2.gz AWDBFYPZWCQUCP-DLBZAZTESA-N 2 0 294.414 2.803 10 0 CFAERP CC(C)C[NH2+]Cc1cc(C[N@H+](C)CC(C)C)on1 ZINC000052452643 519746641 /nfs/dbraw/zinc/74/66/41/519746641.db2.gz YGSSYHFOGJHPRL-UHFFFAOYSA-N 2 0 253.390 2.508 10 0 CFAERP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](C)C2)o1 ZINC000052484409 519747078 /nfs/dbraw/zinc/74/70/78/519747078.db2.gz BZHRPYAAVOHRQM-ZDUSSCGKSA-N 2 0 250.386 2.867 10 0 CFAERP CC(C)C[NH2+]Cc1ccccc1CN1CCC[N@H+](C)CC1 ZINC000052424473 519747703 /nfs/dbraw/zinc/74/77/03/519747703.db2.gz GJKLFEHCYNMITQ-UHFFFAOYSA-N 2 0 289.467 2.570 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCCSC)CC1 ZINC000069432756 519847842 /nfs/dbraw/zinc/84/78/42/519847842.db2.gz MGMKBPGWASKDSR-CYBMUJFWSA-N 2 0 258.475 2.840 10 0 CFAERP CCC[NH2+]CC1(C[N@H+](C)C[C@@H](C)CC)CCOCC1 ZINC000052181440 519910262 /nfs/dbraw/zinc/91/02/62/519910262.db2.gz WZIYQWWLEBUQDA-HNNXBMFYSA-N 2 0 270.461 2.761 10 0 CFAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)C[C@H]1CCCCO1 ZINC000051251073 519911692 /nfs/dbraw/zinc/91/16/92/519911692.db2.gz BHEZFJUIKGVMED-OAHLLOKOSA-N 2 0 270.461 2.903 10 0 CFAERP CCC[NH2+]CCCCC[NH+]1CCC(OCC)CC1 ZINC000052484065 519912382 /nfs/dbraw/zinc/91/23/82/519912382.db2.gz PFOOSVYJPDYBGM-UHFFFAOYSA-N 2 0 256.434 2.657 10 0 CFAERP CC[NH2+]CC1(C[N@H+](CC)C2CCCC2)CCOCC1 ZINC000052181628 519912777 /nfs/dbraw/zinc/91/27/77/519912777.db2.gz LTALXENYDGSSCV-UHFFFAOYSA-N 2 0 268.445 2.657 10 0 CFAERP CC[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418222 519919734 /nfs/dbraw/zinc/91/97/34/519919734.db2.gz FBIRSAGXWARTIP-HNNXBMFYSA-N 2 0 293.430 2.726 10 0 CFAERP CCC[NH2+]C[C@@H](C(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503244 519920399 /nfs/dbraw/zinc/92/03/99/519920399.db2.gz UKEQMTCDGHRKTN-INIZCTEOSA-N 2 0 271.493 2.530 10 0 CFAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)[C@@H](C)CC)O1 ZINC000052451465 519926467 /nfs/dbraw/zinc/92/64/67/519926467.db2.gz VWKWJIQBBCBVFE-SOUVJXGZSA-N 2 0 256.434 2.654 10 0 CFAERP CC[NH2+]CC[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372972 519928187 /nfs/dbraw/zinc/92/81/87/519928187.db2.gz CQNXCEICVNPLLF-ZDUSSCGKSA-N 2 0 250.386 2.515 10 0 CFAERP CCC[NH2+]C[C@H](CC)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416943 519932097 /nfs/dbraw/zinc/93/20/97/519932097.db2.gz XZQDUQRHPYQNEZ-ZWKOTPCHSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+](CCC)CCC)O1 ZINC000052416855 519939194 /nfs/dbraw/zinc/93/91/94/519939194.db2.gz VWPKIAHARRXNCR-HUUCEWRRSA-N 2 0 256.434 2.656 10 0 CFAERP CC[NH2+]Cc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049331843 520005932 /nfs/dbraw/zinc/00/59/32/520005932.db2.gz LRCLIBXLLZLTMR-UHFFFAOYSA-N 2 0 262.397 2.661 10 0 CFAERP CCC[NH2+][C@@](C)(CCC[NH+]1CCC(CCC)CC1)C(N)=O ZINC000050905788 520035414 /nfs/dbraw/zinc/03/54/14/520035414.db2.gz ZZQSBZJWQPDRNJ-KRWDZBQOSA-N 2 0 297.487 2.522 10 0 CFAERP CC[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000061275433 520072715 /nfs/dbraw/zinc/07/27/15/520072715.db2.gz ANHYUFRPRKPQFL-UWVGGRQHSA-N 2 0 255.431 2.799 10 0 CFAERP CCCCC[N@H+](C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052454759 520152808 /nfs/dbraw/zinc/15/28/08/520152808.db2.gz KJUXFFWLDBODKJ-UHFFFAOYSA-N 2 0 253.390 2.795 10 0 CFAERP CCCCC[N@H+](Cc1cccnc1C(N)=[NH2+])C(C)C ZINC000061658267 520175875 /nfs/dbraw/zinc/17/58/75/520175875.db2.gz QNRWXICPAIAZJG-UHFFFAOYSA-N 2 0 262.401 2.766 10 0 CFAERP CCCCC[NH2+]C[C@@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055075267 520223963 /nfs/dbraw/zinc/22/39/63/520223963.db2.gz XPAIYLXMVOXIHI-HZPDHXFCSA-N 2 0 269.477 2.571 10 0 CFAERP CC[N@H+](C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052446057 520258685 /nfs/dbraw/zinc/25/86/85/520258685.db2.gz CZYBGMGZJYKZJB-UHFFFAOYSA-N 2 0 252.358 2.951 10 0 CFAERP CCCO[C@@H]1CCC[N@H+](C[C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000052371523 520270020 /nfs/dbraw/zinc/27/00/20/520270020.db2.gz NEXXTXKPNUFCIT-LSDHHAIUSA-N 2 0 270.461 2.902 10 0 CFAERP CC1(C)CC[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000061818779 520377171 /nfs/dbraw/zinc/37/71/71/520377171.db2.gz ASDMZUSERMQSPN-UHFFFAOYSA-N 2 0 289.423 2.596 10 0 CFAERP CCCC[N@H+](CC)CC1(C[NH2+]CC)CCOCC1 ZINC000052180972 520476893 /nfs/dbraw/zinc/47/68/93/520476893.db2.gz VJKUEAPIKCLSQA-UHFFFAOYSA-N 2 0 256.434 2.515 10 0 CFAERP CCCC[NH+](CCCC)CC1(C[NH2+]C)CCOCC1 ZINC000052181172 520494866 /nfs/dbraw/zinc/49/48/66/520494866.db2.gz PKLNMVLZJRVVIH-UHFFFAOYSA-N 2 0 270.461 2.905 10 0 CFAERP CCN(CC[NH+](CC)CC)C1(C[NH3+])CCC(C)CC1 ZINC000050088627 520644479 /nfs/dbraw/zinc/64/44/79/520644479.db2.gz VAJRYDSHCJYHMD-UHFFFAOYSA-N 2 0 269.477 2.558 10 0 CFAERP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000151243782 521161809 /nfs/dbraw/zinc/16/18/09/521161809.db2.gz RYJBDOHFBUTTPU-ROUUACIJSA-N 2 0 290.451 2.964 10 0 CFAERP CC[NH+]1CCC(C[NH3+])(N(Cc2cccs2)C2CC2)CC1 ZINC000049023944 521548977 /nfs/dbraw/zinc/54/89/77/521548977.db2.gz DXGMSDMBVHNOGT-UHFFFAOYSA-N 2 0 293.480 2.526 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)CSC)CC1 ZINC000069437919 521583704 /nfs/dbraw/zinc/58/37/04/521583704.db2.gz FKUVLCRLZRLIEG-QWHCGFSZSA-N 2 0 258.475 2.696 10 0 CFAERP CCC[N@H+](CCOc1cccc(C[NH2+]C)c1)C(C)C ZINC000052450371 521669139 /nfs/dbraw/zinc/66/91/39/521669139.db2.gz ZRLYNWXJRDQAPV-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP C[NH2+]CC1(C[NH+]2CCC(C(C)(C)C)CC2)CCOCC1 ZINC000052182098 521970155 /nfs/dbraw/zinc/97/01/55/521970155.db2.gz HBTYXOLZXDSQLS-UHFFFAOYSA-N 2 0 282.472 2.761 10 0 CFAERP CC[C@@H](C)[N@H+](CC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181387 522083569 /nfs/dbraw/zinc/08/35/69/522083569.db2.gz YGOBMUMDNJDKKG-CQSZACIVSA-N 2 0 268.445 2.656 10 0 CFAERP C[NH2+]Cc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000052374483 522117504 /nfs/dbraw/zinc/11/75/04/522117504.db2.gz DQFAXKADBOURMC-UHFFFAOYSA-N 2 0 252.361 2.922 10 0 CFAERP C[NH2+]Cc1ccc(OCC[N@H+](C)C2CCCC2)cc1 ZINC000052444825 522122066 /nfs/dbraw/zinc/12/20/66/522122066.db2.gz FXYHRYYMGHPIPV-UHFFFAOYSA-N 2 0 262.397 2.659 10 0 CFAERP C[NH2+]Cc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000052419091 522127076 /nfs/dbraw/zinc/12/70/76/522127076.db2.gz AFSULDHTHDQQRU-UHFFFAOYSA-N 2 0 266.388 2.964 10 0 CFAERP C[NH2+]Cc1ccccc1C[NH+]1Cc2ccccc2C1 ZINC000052374555 522136258 /nfs/dbraw/zinc/13/62/58/522136258.db2.gz XJYCYDURNQLCRE-UHFFFAOYSA-N 2 0 252.361 2.922 10 0 CFAERP C[NH2+]Cc1ccccc1OCC[NH+]1CCC(C)CC1 ZINC000052377006 522140701 /nfs/dbraw/zinc/14/07/01/522140701.db2.gz ITDKFXJNIZVXOS-UHFFFAOYSA-N 2 0 262.397 2.517 10 0 CFAERP C[NH2+]Cc1nc(C[NH+](CC(C)C)CC(C)C)cs1 ZINC000052484782 522151349 /nfs/dbraw/zinc/15/13/49/522151349.db2.gz RHUPOJAIRULVEG-UHFFFAOYSA-N 2 0 269.458 2.977 10 0 CFAERP CC[C@@H](C[NH2+]CC(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503286 522547632 /nfs/dbraw/zinc/54/76/32/522547632.db2.gz SDAGOJXEPJFOBB-INIZCTEOSA-N 2 0 271.493 2.530 10 0 CFAERP COC1CC[NH+](CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052455377 522705783 /nfs/dbraw/zinc/70/57/83/522705783.db2.gz HFKJWAUFPBCUGN-UHFFFAOYSA-N 2 0 256.434 2.656 10 0 CFAERP C[N@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CCCC1 ZINC000052444982 523146578 /nfs/dbraw/zinc/14/65/78/523146578.db2.gz GGLYKNANBGJAEG-LSDHHAIUSA-N 2 0 268.445 2.797 10 0 CFAERP C[N@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)[C@@H]1CCSC1 ZINC000052453316 523170256 /nfs/dbraw/zinc/17/02/56/523170256.db2.gz NIAVIYWQSSJTRZ-GFCCVEGCSA-N 2 0 283.441 2.500 10 0 CFAERP CC[C@@H]1CCC[N@@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180410 523265986 /nfs/dbraw/zinc/26/59/86/523265986.db2.gz IWNFPRDPJBLLNN-OAHLLOKOSA-N 2 0 268.445 2.656 10 0 CFAERP C[N@H+](Cc1csc(C[NH3+])n1)C1CCCCCC1 ZINC000052482069 523524138 /nfs/dbraw/zinc/52/41/38/523524138.db2.gz XEVDVXNHMBTTMY-UHFFFAOYSA-N 2 0 253.415 2.756 10 0 CFAERP COc1ccc(C[NH3+])cc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000050124102 524016659 /nfs/dbraw/zinc/01/66/59/524016659.db2.gz SMAIWMFUYRCFAC-STQMWFEESA-N 2 0 262.397 2.632 10 0 CFAERP C[C@H](CCC[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052419017 524139314 /nfs/dbraw/zinc/13/93/14/524139314.db2.gz LZNVRKPZOFVKMF-CYBMUJFWSA-N 2 0 281.831 2.589 10 0 CFAERP C[C@H](CCC[NH2+]C(C)(C)C)[NH+]1CCN(CC2CC2)CC1 ZINC000052372497 524141875 /nfs/dbraw/zinc/14/18/75/524141875.db2.gz MOHFMTATSKSYDC-OAHLLOKOSA-N 2 0 281.488 2.571 10 0 CFAERP C[C@H](CC[NH+](C)C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000049559253 524162557 /nfs/dbraw/zinc/16/25/57/524162557.db2.gz QGPFEUFEPSERRJ-TZMCWYRMSA-N 2 0 277.437 2.760 10 0 CFAERP C[C@@H](C1CC1)[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181790 524319579 /nfs/dbraw/zinc/31/95/79/524319579.db2.gz GMNZFCDUVUTLOQ-AWEZNQCLSA-N 2 0 282.472 2.902 10 0 CFAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481861 524456678 /nfs/dbraw/zinc/45/66/78/524456678.db2.gz JHWDAUJHQCMZFB-ZDUSSCGKSA-N 2 0 256.434 2.654 10 0 CFAERP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049156024 524761156 /nfs/dbraw/zinc/76/11/56/524761156.db2.gz DTUVGODIKOGNJM-VNHYZAJKSA-N 2 0 266.454 2.999 10 0 CFAERP C[C@H]1C[C@H](C)C[NH+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180561 524881699 /nfs/dbraw/zinc/88/16/99/524881699.db2.gz QKRFYLZIPWMPMY-GJZGRUSLSA-N 2 0 280.456 2.513 10 0 CFAERP C[C@@H](c1cccs1)[N@H+](C)Cc1ccoc1C[NH3+] ZINC000052506695 526146570 /nfs/dbraw/zinc/14/65/70/526146570.db2.gz KSMCNHRKLMYGID-JTQLQIEISA-N 2 0 250.367 2.993 10 0 CFAERP C[C@H](C1CC1)[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181792 526205188 /nfs/dbraw/zinc/20/51/88/526205188.db2.gz GMNZFCDUVUTLOQ-CQSZACIVSA-N 2 0 282.472 2.902 10 0 CFAERP Cc1ccc2c(c1)[nH+]c(N)n2[C@@H](C[NH+](C)C)C(C)C ZINC000049221173 526220597 /nfs/dbraw/zinc/22/05/97/526220597.db2.gz XMKSHKRQZRWCAX-AWEZNQCLSA-N 2 0 260.385 2.686 10 0 CFAERP c1ccc2c(c1)CC[N@@H+](CCC[C@@H]1CCCC[NH2+]1)C2 ZINC000050952385 526503117 /nfs/dbraw/zinc/50/31/17/526503117.db2.gz SZPUXZIRTIPMDV-KRWDZBQOSA-N 2 0 258.409 2.967 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000218958485 526752772 /nfs/dbraw/zinc/75/27/72/526752772.db2.gz IOLDEBKWQIQZEZ-TVYUQYBPSA-N 2 0 267.442 2.928 10 0 CFAERP [NH3+]Cc1ccc(F)cc1C[NH+]1CCc2ccccc2CC1 ZINC000069401869 527254506 /nfs/dbraw/zinc/25/45/06/527254506.db2.gz NBLQFSHGVFEWJZ-UHFFFAOYSA-N 2 0 284.378 2.885 10 0 CFAERP [NH3+]Cc1cccc(OCCC[NH+]2Cc3ccccc3C2)c1 ZINC000050910461 527260504 /nfs/dbraw/zinc/26/05/04/527260504.db2.gz HVVMFQSZOFOWJF-UHFFFAOYSA-N 2 0 282.387 2.930 10 0 CFAERP [NH3+]Cc1ccoc1CO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702303 527262017 /nfs/dbraw/zinc/26/20/17/527262017.db2.gz POGIJRZOZBUKOQ-MRXNPFEDSA-N 2 0 286.375 2.529 10 0 CFAERP CC[NH+]1CCN(c2cc(C)[nH+]c3cc(OC)ccc32)CC1 ZINC000041478755 535743023 /nfs/dbraw/zinc/74/30/23/535743023.db2.gz DTKTYIIYLQWQIL-UHFFFAOYSA-N 2 0 285.391 2.694 10 0 CFAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000396468773 574355648 /nfs/dbraw/zinc/35/56/48/574355648.db2.gz VTFNHYIZJQWSKT-UAGQMJEPSA-N 2 0 288.460 2.602 10 0 CFAERP C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261998011 619361816 /nfs/dbraw/zinc/36/18/16/619361816.db2.gz TTYWOMHDXAOVJY-RHSMWYFYSA-N 2 0 276.399 2.789 10 0 CFAERP CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2cc(OC)ccc21 ZINC000082509393 178076245 /nfs/dbraw/zinc/07/62/45/178076245.db2.gz PDMJXTYCDGEADY-HNNXBMFYSA-N 2 0 290.407 2.593 10 0 CFAERP CC(C)[NH2+]Cc1cccc(OCCC[NH+](C)C)c1 ZINC000083383756 178387432 /nfs/dbraw/zinc/38/74/32/178387432.db2.gz AFMLEQDGCJCVOL-UHFFFAOYSA-N 2 0 250.386 2.515 10 0 CFAERP CC(C)(C)C1CC[NH+](CCCC[C@@](C)([NH3+])CO)CC1 ZINC000085210995 178973621 /nfs/dbraw/zinc/97/36/21/178973621.db2.gz OCMAUSJBJUBWEQ-MRXNPFEDSA-N 2 0 270.461 2.625 10 0 CFAERP [NH3+]CCCCOc1cccc(C[NH+]2CCCCC2)c1 ZINC000034155897 346314929 /nfs/dbraw/zinc/31/49/29/346314929.db2.gz YSMRPDXIWIIOTG-UHFFFAOYSA-N 2 0 262.397 2.790 10 0 CFAERP [NH3+]CCC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000053705852 346551802 /nfs/dbraw/zinc/55/18/02/346551802.db2.gz FQFBYVHDSSJULL-UHFFFAOYSA-N 2 0 255.365 2.800 10 0 CFAERP CCOc1cccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818610 179347697 /nfs/dbraw/zinc/34/76/97/179347697.db2.gz IICDVSXEAVOKKU-HNNXBMFYSA-N 2 0 262.397 2.659 10 0 CFAERP C[C@@H]1CCC[C@](CN[C@@H]2CCC[N@H+](C)CC2)([NH+](C)C)C1 ZINC000086818873 179348713 /nfs/dbraw/zinc/34/87/13/179348713.db2.gz MTSNUDVBJHNNRO-ZACQAIPSSA-N 2 0 281.488 2.571 10 0 CFAERP C[C@H](Cc1c(F)cccc1F)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818698 179346878 /nfs/dbraw/zinc/34/68/78/179346878.db2.gz ZERAVGKIJQXAQZ-OLZOCXBDSA-N 2 0 282.378 2.970 10 0 CFAERP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818705 179347082 /nfs/dbraw/zinc/34/70/82/179347082.db2.gz IEFIPSHAECDESE-NVXWUHKLSA-N 2 0 260.425 3.000 10 0 CFAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848176 179357020 /nfs/dbraw/zinc/35/70/20/179357020.db2.gz MRDXSHPIIMCVAU-RDJZCZTQSA-N 2 0 283.504 2.945 10 0 CFAERP CCCCN(CC)[C@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846576 179354680 /nfs/dbraw/zinc/35/46/80/179354680.db2.gz YJKXYTBEVGVGBS-MRXNPFEDSA-N 2 0 269.477 2.702 10 0 CFAERP CCC[N@@H+]1CCC[C@@](CO)([NH2+]C2CCCCC2)CC1 ZINC000086867917 179360277 /nfs/dbraw/zinc/36/02/77/179360277.db2.gz KSKCIACCWURANC-MRXNPFEDSA-N 2 0 268.445 2.536 10 0 CFAERP CC[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000151928037 187986949 /nfs/dbraw/zinc/98/69/49/187986949.db2.gz NAXSYVZLTBGLPJ-YJBOKZPZSA-N 2 0 290.451 2.820 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@H]12 ZINC000311738190 541029414 /nfs/dbraw/zinc/02/94/14/541029414.db2.gz ZXCQKXJVYPNAMJ-TUKIKUTGSA-N 2 0 280.412 2.587 10 0 CFAERP Cc1cccc2c(NC[C@H](C)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000301677271 201132056 /nfs/dbraw/zinc/13/20/56/201132056.db2.gz QIUUIHYWODCGIP-AWEZNQCLSA-N 2 0 299.418 2.923 10 0 CFAERP C[NH+]1CCC(C[NH3+])(c2ccc(Cl)c(Cl)c2)CC1 ZINC000033487098 372496015 /nfs/dbraw/zinc/49/60/15/372496015.db2.gz NMXHEYZGZQLICX-UHFFFAOYSA-N 2 0 273.207 2.916 10 0 CFAERP CCn1nc(C)c([C@@H](C)[NH2+]CCCC[NH+](C)C)c1C ZINC000045664302 373027472 /nfs/dbraw/zinc/02/74/72/373027472.db2.gz WHFPVVNJSLBEJF-GFCCVEGCSA-N 2 0 266.433 2.512 10 0 CFAERP CC(C)[C@H]([NH3+])CCN(C)c1cc(C(F)(F)F)ccn1 ZINC000133583607 377941788 /nfs/dbraw/zinc/94/17/88/377941788.db2.gz HXBCMHDSFMPBJZ-LLVKDONJSA-N 2 0 275.318 2.910 10 0 CFAERP c1n[nH]cc1[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161829421 378874088 /nfs/dbraw/zinc/87/40/88/378874088.db2.gz HLMGVOGIEBWBCP-INIZCTEOSA-N 2 0 276.428 2.813 10 0 CFAERP C[C@@H]([NH2+]CCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400398931 380858597 /nfs/dbraw/zinc/85/85/97/380858597.db2.gz PWJJXBRXCZWDSE-YPMHNXCESA-N 2 0 297.240 2.579 10 0 CFAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400399001 380858962 /nfs/dbraw/zinc/85/89/62/380858962.db2.gz PZDASDNAVAJOTN-GVXVVHGQSA-N 2 0 252.789 2.989 10 0 CFAERP CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000188397892 382406457 /nfs/dbraw/zinc/40/64/57/382406457.db2.gz WIDMNUNEDDDNIL-INIZCTEOSA-N 2 0 285.391 2.946 10 0 CFAERP Cc1cc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)o1 ZINC000381215363 382518790 /nfs/dbraw/zinc/51/87/90/382518790.db2.gz WMCDJAURBSUAMN-IFUGULHKSA-N 2 0 250.386 2.874 10 0 CFAERP [NH3+]CCC[C@H]([NH3+])c1cc(Cl)ccc1Br ZINC000575440428 382771784 /nfs/dbraw/zinc/77/17/84/382771784.db2.gz UXXUNUQFBQKWEL-JTQLQIEISA-N 2 0 277.593 2.841 10 0 CFAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)cccc1Br ZINC000575440124 382771840 /nfs/dbraw/zinc/77/18/40/382771840.db2.gz VNFCFRVACWVVRR-SNVBAGLBSA-N 2 0 275.165 2.717 10 0 CFAERP CN(Cc1cc(F)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231462197 382864775 /nfs/dbraw/zinc/86/47/75/382864775.db2.gz OWXGKRJCBGMJHU-CYBMUJFWSA-N 2 0 254.324 2.539 10 0 CFAERP CN(Cc1cccc(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC000231461355 382865074 /nfs/dbraw/zinc/86/50/74/382865074.db2.gz PTYRLUYRHLZBDZ-LBPRGKRZSA-N 2 0 254.324 2.539 10 0 CFAERP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067051 383138089 /nfs/dbraw/zinc/13/80/89/383138089.db2.gz IJLGXYBFSXVCNN-NJAFHUGGSA-N 2 0 288.435 2.808 10 0 CFAERP C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568987637 383456669 /nfs/dbraw/zinc/45/66/69/383456669.db2.gz GTESFOFJCAVOOZ-JKSUJKDBSA-N 3 0 281.488 2.619 10 0 CFAERP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000569093367 383467405 /nfs/dbraw/zinc/46/74/05/383467405.db2.gz LXOFYPZOXCLIGC-RYRKJORJSA-N 2 0 290.451 2.960 10 0 CFAERP Cc1[nH+]ccc(N2CCC[C@H](C)[C@H]2C[NH3+])c1Cl ZINC000261554847 383510274 /nfs/dbraw/zinc/51/02/74/383510274.db2.gz PEENBAKRVVLYML-JOYOIKCWSA-N 2 0 253.777 2.607 10 0 CFAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000261564229 383513905 /nfs/dbraw/zinc/51/39/05/383513905.db2.gz XPJIIQSQVFEVIC-FPMFFAJLSA-N 2 0 250.773 2.509 10 0 CFAERP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261574217 383517001 /nfs/dbraw/zinc/51/70/01/383517001.db2.gz MOBSRLPMNQBCKL-NWANDNLSSA-N 2 0 264.800 2.818 10 0 CFAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261624172 383530741 /nfs/dbraw/zinc/53/07/41/383530741.db2.gz VAJWXVLSZRMPEZ-DRPJVOAASA-N 2 0 262.372 2.946 10 0 CFAERP [NH3+]C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1c1ccccc1 ZINC000261886500 383575302 /nfs/dbraw/zinc/57/53/02/383575302.db2.gz ZEKCGLRFDFMJNP-SJORKVTESA-N 2 0 258.409 2.851 10 0 CFAERP C[C@@H]1C[C@H]1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262050287 383600136 /nfs/dbraw/zinc/60/01/36/383600136.db2.gz ZNTHOUOTADAWTR-HLLBOEOZSA-N 2 0 273.424 2.682 10 0 CFAERP Cc1nc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)sc1C ZINC000262236890 383613981 /nfs/dbraw/zinc/61/39/81/383613981.db2.gz OPOFVYAZDWJHOK-OAHLLOKOSA-N 2 0 293.480 2.939 10 0 CFAERP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000262570026 383627244 /nfs/dbraw/zinc/62/72/44/383627244.db2.gz XIHWHMRSTXUQCF-BHYGNILZSA-N 2 0 297.402 2.819 10 0 CFAERP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000643495100 384661692 /nfs/dbraw/zinc/66/16/92/384661692.db2.gz JGMJHVNYULQNAL-AXFHLTTASA-N 2 0 252.324 2.553 10 0 CFAERP CC[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381645268 393565619 /nfs/dbraw/zinc/56/56/19/393565619.db2.gz XQVDCAQKSKXTHS-FRRDWIJNSA-N 2 0 260.372 2.871 10 0 CFAERP [NH3+]C1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000051692774 393617572 /nfs/dbraw/zinc/61/75/72/393617572.db2.gz PNEJKUUZYHZXDK-DAWZGUTISA-N 2 0 287.451 2.511 10 0 CFAERP Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c2ccccc2[nH+]1 ZINC000228081861 393773428 /nfs/dbraw/zinc/77/34/28/393773428.db2.gz IVNRXCJFBPVMKH-CHWSQXEVSA-N 2 0 255.365 2.717 10 0 CFAERP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc2[nH+]1 ZINC000261870635 393950754 /nfs/dbraw/zinc/95/07/54/393950754.db2.gz ZATBPKNTTRTHHH-AEGPPILISA-N 2 0 267.376 2.717 10 0 CFAERP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000684963136 542879441 /nfs/dbraw/zinc/87/94/41/542879441.db2.gz NLQVIEDFXIPRGE-XGUBFFRZSA-N 2 0 268.445 2.510 10 0 CFAERP C([NH2+][C@H]1CCC[NH2+]CC1)C(C1CCC1)C1CCC1 ZINC000530212321 394481950 /nfs/dbraw/zinc/48/19/50/394481950.db2.gz QDAXBJKKGDYIFJ-HNNXBMFYSA-N 2 0 250.430 2.935 10 0 CFAERP C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000037074263 543026180 /nfs/dbraw/zinc/02/61/80/543026180.db2.gz HOFNYBCOBUYOLE-CZUORRHYSA-N 2 0 274.408 2.830 10 0 CFAERP C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037220939 543027641 /nfs/dbraw/zinc/02/76/41/543027641.db2.gz HYNUQTQSUJIMRY-MAUKXSAKSA-N 2 0 289.467 2.609 10 0 CFAERP Cc1cc(NCCC2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000650310796 397751552 /nfs/dbraw/zinc/75/15/52/397751552.db2.gz AHKLOBSCZAIDNP-UHFFFAOYSA-N 2 0 269.392 2.767 10 0 CFAERP C[C@@H](c1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1)[NH+]1CCCC1 ZINC000095384233 287130351 /nfs/dbraw/zinc/13/03/51/287130351.db2.gz IBSVUKZETJHECW-ZDUSSCGKSA-N 2 0 296.418 2.879 10 0 CFAERP CCC[NH+]1CCC(NCc2ccccc2C[NH+](C)C)CC1 ZINC000020128571 171015348 /nfs/dbraw/zinc/01/53/48/171015348.db2.gz TWUITJYFHWLSGF-UHFFFAOYSA-N 2 0 289.467 2.712 10 0 CFAERP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365679 171164259 /nfs/dbraw/zinc/16/42/59/171164259.db2.gz WARDVKJRGQMQQW-GJZGRUSLSA-N 2 0 299.503 2.780 10 0 CFAERP Cc1cccc(OC[C@@H](CC[NH3+])[NH+]2CCCCC2)c1 ZINC000020402220 171182277 /nfs/dbraw/zinc/18/22/77/171182277.db2.gz GAPOFSCZVXXSGY-OAHLLOKOSA-N 2 0 262.397 2.577 10 0 CFAERP COC(C)(C)C[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000020524763 171237649 /nfs/dbraw/zinc/23/76/49/171237649.db2.gz OYDRKTKLOMHGPU-HUUCEWRRSA-N 2 0 270.461 2.900 10 0 CFAERP Cc1cc(C)c([C@H]([NH3+])CN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000022563940 171390981 /nfs/dbraw/zinc/39/09/81/171390981.db2.gz ZBIMWVTXVBLMEF-QGZVFWFLSA-N 2 0 289.467 2.638 10 0 CFAERP Cc1cc(C)c([C@@H]([NH3+])CN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000022563944 171391474 /nfs/dbraw/zinc/39/14/74/171391474.db2.gz ZBIMWVTXVBLMEF-KRWDZBQOSA-N 2 0 289.467 2.638 10 0 CFAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000037220368 173038045 /nfs/dbraw/zinc/03/80/45/173038045.db2.gz HLJCREXVFMZDQX-KGLIPLIRSA-N 2 0 261.413 2.853 10 0 CFAERP Cc1c[nH+]ccc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656607732 414614606 /nfs/dbraw/zinc/61/46/06/414614606.db2.gz GBLDCVTZTXSHQN-HNNXBMFYSA-N 2 0 259.397 2.606 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)CC1 ZINC000038028858 174018073 /nfs/dbraw/zinc/01/80/73/174018073.db2.gz FEKDDEAPCQPNIG-IAGOWNOFSA-N 2 0 295.515 2.961 10 0 CFAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC000040502628 174298964 /nfs/dbraw/zinc/29/89/64/174298964.db2.gz FHLVZLMCOQPDOV-DOTOQJQBSA-N 2 0 281.488 2.571 10 0 CFAERP CCCCOCC[NH2+][C@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000040506736 174302088 /nfs/dbraw/zinc/30/20/88/174302088.db2.gz XFHFYTIWQRAUKB-CVEARBPZSA-N 2 0 270.461 2.903 10 0 CFAERP CCCCOCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000040506731 174302200 /nfs/dbraw/zinc/30/22/00/174302200.db2.gz UZJCJUWZDWTZHA-GJZGRUSLSA-N 2 0 256.434 2.513 10 0 CFAERP CCOC1CC[NH+](Cc2cc([C@@H](C)[NH3+])ccc2OC)CC1 ZINC000040689374 174376326 /nfs/dbraw/zinc/37/63/26/174376326.db2.gz VFUNUWAAIYQHCQ-CYBMUJFWSA-N 2 0 292.423 2.716 10 0 CFAERP [NH3+][C@H]1CCCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693976 174377732 /nfs/dbraw/zinc/37/77/32/174377732.db2.gz OEBKNZZAXXIXMI-ROUUACIJSA-N 2 0 293.499 2.987 10 0 CFAERP [NH3+]C[C@H](C1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693773 174377991 /nfs/dbraw/zinc/37/79/91/174377991.db2.gz RRQHHBPWYIJYAY-GOSISDBHSA-N 2 0 293.499 2.844 10 0 CFAERP C[C@H](c1ccc(F)c(F)c1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749329 174393906 /nfs/dbraw/zinc/39/39/06/174393906.db2.gz REXPALWEXBERIA-NSNUZPRRSA-N 2 0 266.335 2.980 10 0 CFAERP Cc1ccc([C@H]([NH3+])CN(CC[NH+](C)C)CC(C)C)cc1 ZINC000042748531 174866358 /nfs/dbraw/zinc/86/63/58/174866358.db2.gz ROEGXBLYSGSRCJ-QGZVFWFLSA-N 2 0 277.456 2.514 10 0 CFAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043123333 174975900 /nfs/dbraw/zinc/97/59/00/174975900.db2.gz LMWMWTNEIJDJCB-GJZGRUSLSA-N 2 0 295.496 2.943 10 0 CFAERP CC[NH+](CC)Cc1ccccc1N[C@@H]1CCC[NH2+]C1 ZINC000043326655 175008160 /nfs/dbraw/zinc/00/81/60/175008160.db2.gz HMVARBCANMNNFM-OAHLLOKOSA-N 2 0 261.413 2.692 10 0 CFAERP Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000043480116 175056061 /nfs/dbraw/zinc/05/60/61/175056061.db2.gz OUHDQSPEZPIHGF-GFCCVEGCSA-N 2 0 280.799 2.620 10 0 CFAERP CC[NH+](CC)CCC[C@@H](C)Nc1cc(N)cc[nH+]1 ZINC000043568360 175067437 /nfs/dbraw/zinc/06/74/37/175067437.db2.gz CGDRALXCYOKMES-GFCCVEGCSA-N 2 0 250.390 2.586 10 0 CFAERP C[N@H+](CCC[C@H]1CCC[NH2+]C1)Cc1ccsc1 ZINC000043591879 175073825 /nfs/dbraw/zinc/07/38/25/175073825.db2.gz PVZFYSCXOQYMTK-CYBMUJFWSA-N 2 0 252.427 2.960 10 0 CFAERP C[N@H+](CCC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000043591877 175073875 /nfs/dbraw/zinc/07/38/75/175073875.db2.gz WDOZJVARNADBFP-CYBMUJFWSA-N 2 0 252.427 2.960 10 0 CFAERP CCC[NH+]1CCN([C@@H](CC)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805399 175107669 /nfs/dbraw/zinc/10/76/69/175107669.db2.gz LGNXVLOQEKBUNP-ROUUACIJSA-N 2 0 289.467 2.753 10 0 CFAERP CCC[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806198 175108220 /nfs/dbraw/zinc/10/82/20/175108220.db2.gz BIXOYYJJRAASIB-IAGOWNOFSA-N 2 0 281.488 2.715 10 0 CFAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(CC)cc1 ZINC000043811055 175110347 /nfs/dbraw/zinc/11/03/47/175110347.db2.gz IUBAWAGSHAGQQF-SFHVURJKSA-N 2 0 289.467 2.537 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815403 175112215 /nfs/dbraw/zinc/11/22/15/175112215.db2.gz GOZYTPVFHXFWMU-OIISXLGYSA-N 2 0 281.488 2.569 10 0 CFAERP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@H+](C)C1CC1 ZINC000043822937 175114499 /nfs/dbraw/zinc/11/44/99/175114499.db2.gz WCVSHVRDANKZPL-GFCCVEGCSA-N 2 0 262.397 2.960 10 0 CFAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C(CC)CC)OCCO2 ZINC000043896195 175119487 /nfs/dbraw/zinc/11/94/87/175119487.db2.gz NKSGOHAWPDTVMZ-HZPDHXFCSA-N 2 0 298.471 2.771 10 0 CFAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043896958 175120025 /nfs/dbraw/zinc/12/00/25/175120025.db2.gz FYHGPHMLAJVNJG-SJLPKXTDSA-N 2 0 289.467 2.670 10 0 CFAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907906 175123189 /nfs/dbraw/zinc/12/31/89/175123189.db2.gz AEDCBFXVCSYXTB-QZTJIDSGSA-N 2 0 293.499 2.857 10 0 CFAERP CCC[NH2+][C@H](C)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907941 175123228 /nfs/dbraw/zinc/12/32/28/175123228.db2.gz VSHOAJVPGWGXSQ-HZPDHXFCSA-N 2 0 281.488 2.713 10 0 CFAERP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000043967612 175129217 /nfs/dbraw/zinc/12/92/17/175129217.db2.gz QKCDNXQTMFMXPB-ZWKOTPCHSA-N 2 0 287.451 2.506 10 0 CFAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967938 175129287 /nfs/dbraw/zinc/12/92/87/175129287.db2.gz LCVLSDJNXQTRIN-ROUUACIJSA-N 2 0 293.499 2.715 10 0 CFAERP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000043967618 175129350 /nfs/dbraw/zinc/12/93/50/175129350.db2.gz QKCDNXQTMFMXPB-MSOLQXFVSA-N 2 0 287.451 2.506 10 0 CFAERP CCOc1ccc([C@H](C)[NH2+]C)cc1C[N@H+](CC)CCOC ZINC000043968588 175129454 /nfs/dbraw/zinc/12/94/54/175129454.db2.gz VSYIJKKNFVYMII-AWEZNQCLSA-N 2 0 294.439 2.834 10 0 CFAERP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+](CCOC)CC(C)C ZINC000043970295 175130914 /nfs/dbraw/zinc/13/09/14/175130914.db2.gz IYHFQMGJUNLXIC-GJZGRUSLSA-N 2 0 258.450 2.758 10 0 CFAERP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970439 175131355 /nfs/dbraw/zinc/13/13/55/175131355.db2.gz PDHALOTXUARYMX-CABCVRRESA-N 2 0 256.434 2.512 10 0 CFAERP CCC[NH2+][C@H](C)[C@@H](C)[N@H+](CCOC)C(CC)CC ZINC000043977298 175133225 /nfs/dbraw/zinc/13/32/25/175133225.db2.gz JKSFEXOPONDUED-ZIAGYGMSSA-N 2 0 258.450 2.900 10 0 CFAERP C[NH2+][C@H]1CCCCC[C@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977372 175133326 /nfs/dbraw/zinc/13/33/26/175133326.db2.gz KHODFQKIIDKYGX-CWRNSKLLSA-N 2 0 268.445 2.654 10 0 CFAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978435 175133630 /nfs/dbraw/zinc/13/36/30/175133630.db2.gz SSWFHDOMWLMYDH-NXHRZFHOSA-N 2 0 295.515 2.959 10 0 CFAERP C[NH2+][C@H]1CCCCCC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982014 175133894 /nfs/dbraw/zinc/13/38/94/175133894.db2.gz YKWNURKEYMRDIN-DLBZAZTESA-N 2 0 283.504 2.817 10 0 CFAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982381 175134303 /nfs/dbraw/zinc/13/43/03/175134303.db2.gz BTFSFFSRDPSLTC-SJORKVTESA-N 2 0 283.504 2.817 10 0 CFAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000044517574 175190455 /nfs/dbraw/zinc/19/04/55/175190455.db2.gz OCXGFYZMUIYFAG-MRXNPFEDSA-N 2 0 274.408 2.832 10 0 CFAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000044517687 175190594 /nfs/dbraw/zinc/19/05/94/175190594.db2.gz OLVBZQVCPRAEES-MRXNPFEDSA-N 3 0 295.515 2.818 10 0 CFAERP CC(C)c1ccc([C@H](O)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044518164 175190754 /nfs/dbraw/zinc/19/07/54/175190754.db2.gz QGJJWXOZCDHZLQ-GOSISDBHSA-N 2 0 290.451 2.775 10 0 CFAERP C[NH+]1CCC(Cn2c(N)[nH+]c3cc(Cl)ccc32)CC1 ZINC000044526469 175191630 /nfs/dbraw/zinc/19/16/30/175191630.db2.gz IMMHCDHQQFERCM-UHFFFAOYSA-N 2 0 278.787 2.614 10 0 CFAERP [NH3+]C[C@H]1CCC[N@@H+]([C@@H](c2ccccc2)c2ccccn2)C1 ZINC000044527863 175192745 /nfs/dbraw/zinc/19/27/45/175192745.db2.gz WZUAYGGTBZNICE-QAPCUYQASA-N 2 0 281.403 2.842 10 0 CFAERP COc1ccc(C[NH2+]CCCC[N@H+](C)C(C)C)cc1 ZINC000044573224 175210157 /nfs/dbraw/zinc/21/01/57/175210157.db2.gz VYWHUHUBYFXVHF-UHFFFAOYSA-N 2 0 264.413 2.905 10 0 CFAERP C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000044674962 175227004 /nfs/dbraw/zinc/22/70/04/175227004.db2.gz BYKHQDVLMGTJNZ-RKTXRCNFSA-N 2 0 258.409 2.862 10 0 CFAERP C[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747603 175243065 /nfs/dbraw/zinc/24/30/65/175243065.db2.gz KDEATLORSFNJCN-KRWDZBQOSA-N 2 0 274.408 2.701 10 0 CFAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747324 175243237 /nfs/dbraw/zinc/24/32/37/175243237.db2.gz OPLUBJLDXYTSPT-CXAGYDPISA-N 2 0 274.408 2.701 10 0 CFAERP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073395 175302509 /nfs/dbraw/zinc/30/25/09/175302509.db2.gz DCWOCMPKBJMCPL-BRWVUGGUSA-N 2 0 280.456 2.798 10 0 CFAERP CC(C)CCOCC[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000045109368 175309461 /nfs/dbraw/zinc/30/94/61/175309461.db2.gz TUIXWTONWQYMBC-GASCZTMLSA-N 2 0 256.434 2.512 10 0 CFAERP CCn1nc(C)c([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000045173281 175322528 /nfs/dbraw/zinc/32/25/28/175322528.db2.gz AWFNPMDXLVMZNE-FFHGMXDLSA-N 2 0 276.428 2.535 10 0 CFAERP CCC[NH2+][C@](C)(CCCC[NH+](CCC)CCC)C(N)=O ZINC000045378544 175367680 /nfs/dbraw/zinc/36/76/80/175367680.db2.gz LNVGATXTKUWLFJ-MRXNPFEDSA-N 2 0 285.476 2.522 10 0 CFAERP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CCCC1)C(N)=O ZINC000045390506 175374384 /nfs/dbraw/zinc/37/43/84/175374384.db2.gz JQZXWPMWVLFPSI-KRWDZBQOSA-N 2 0 297.487 2.665 10 0 CFAERP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419338 175378178 /nfs/dbraw/zinc/37/81/78/175378178.db2.gz IOULDICSLALUSW-ZMSDIMECSA-N 2 0 296.455 2.559 10 0 CFAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1 ZINC000071142170 176040264 /nfs/dbraw/zinc/04/02/64/176040264.db2.gz DHSZQZDNVGOJMP-ZJIFWQFVSA-N 2 0 252.446 2.989 10 0 CFAERP CC(C)[NH+](CCNC1=[NH+]C[C@@H](C2CC2)S1)C(C)C ZINC000071306673 176115928 /nfs/dbraw/zinc/11/59/28/176115928.db2.gz TYKFXVRBGGCGIV-ZDUSSCGKSA-N 2 0 269.458 2.576 10 0 CFAERP C[C@@H]1C[NH+](CCC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000071401595 176154006 /nfs/dbraw/zinc/15/40/06/176154006.db2.gz HNTYXJCOFNBEDC-FMKPAKJESA-N 2 0 262.397 2.576 10 0 CFAERP [NH3+]CC1(c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000071585037 176210321 /nfs/dbraw/zinc/21/03/21/176210321.db2.gz LCCCEWAULOKQQC-UHFFFAOYSA-N 2 0 259.180 2.573 10 0 CFAERP COc1ccc([C@@H](CC[NH3+])C[NH+]2CCCC2)cc1C ZINC000076676211 177056270 /nfs/dbraw/zinc/05/62/70/177056270.db2.gz TVKQKQQJMXUCPQ-HNNXBMFYSA-N 2 0 262.397 2.532 10 0 CFAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000300425438 277796356 /nfs/dbraw/zinc/79/63/56/277796356.db2.gz YMWHKTQHYHBHSB-OWCLPIDISA-N 2 0 270.461 2.615 10 0 CFAERP CC1(C)C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000261778007 278340753 /nfs/dbraw/zinc/34/07/53/278340753.db2.gz SYRRBOLUULKDMT-HUUCEWRRSA-N 2 0 262.372 2.872 10 0 CFAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000400506249 288060610 /nfs/dbraw/zinc/06/06/10/288060610.db2.gz DGPULFCDHXBZSZ-NOLJZWGESA-N 2 0 262.397 2.734 10 0 CFAERP C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC000565539878 290308086 /nfs/dbraw/zinc/30/80/86/290308086.db2.gz NZVJDHAWVOLZRD-VLSVSDDBSA-N 2 0 250.430 2.790 10 0 CFAERP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000250961308 293244928 /nfs/dbraw/zinc/24/49/28/293244928.db2.gz QEJIMBITDKNPGT-ZMLRMANQSA-N 2 0 253.415 2.538 10 0 CFAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]21 ZINC000261558973 295310053 /nfs/dbraw/zinc/31/00/53/295310053.db2.gz XOKWCVKIPUHGLU-REWJHTLYSA-N 2 0 272.383 2.871 10 0 CFAERP