smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000891248174 774101616 /nfs/dbraw/zinc/10/16/16/774101616.db2.gz WNIOHLFRAMKKHW-ICSRJNTNSA-N 1 3 362.518 1.318 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000891248174 774101622 /nfs/dbraw/zinc/10/16/22/774101622.db2.gz WNIOHLFRAMKKHW-ICSRJNTNSA-N 1 3 362.518 1.318 20 10 FDCDHO NC1(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)Cc2ccccc2C1 ZINC000364140803 795265422 /nfs/dbraw/zinc/26/54/22/795265422.db2.gz OJGAPNFDZIOJFE-UHFFFAOYSA-N 1 3 368.456 1.348 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](CN)C(C)(C)C)CC2)cc1 ZINC000923370516 889027619 /nfs/dbraw/zinc/02/76/19/889027619.db2.gz PTNUJPJCTWQZAL-HKUYNNGSSA-N 1 3 364.534 1.141 20 10 FDCDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895014 943069406 /nfs/dbraw/zinc/06/94/06/943069406.db2.gz SPMUBTHSINYGQI-ZWKOTPCHSA-N 1 3 370.476 1.912 20 10 FDCDHO CCN1CCN(c2ccc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902512 943070880 /nfs/dbraw/zinc/07/08/80/943070880.db2.gz SAOSZBUIVZIHFJ-HHXXYDBFSA-N 1 3 364.509 1.810 20 10 FDCDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102104 828678106 /nfs/dbraw/zinc/67/81/06/828678106.db2.gz CBIVXPMGMUCKEX-QGZVFWFLSA-N 1 3 361.490 1.082 20 10 FDCDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102104 828678108 /nfs/dbraw/zinc/67/81/08/828678108.db2.gz CBIVXPMGMUCKEX-QGZVFWFLSA-N 1 3 361.490 1.082 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)CN(C)CC(C)(C)C[NH3+])CC2)cc1 ZINC000923294021 888786195 /nfs/dbraw/zinc/78/61/95/888786195.db2.gz DDXPXHBCMAJLSZ-GOSISDBHSA-N 1 3 364.534 1.095 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)CCN(C)C)CC2)cc1 ZINC000819061544 943393915 /nfs/dbraw/zinc/39/39/15/943393915.db2.gz WHVWOPCCQVQQFY-HKUYNNGSSA-N 1 3 364.534 1.108 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061544 943393921 /nfs/dbraw/zinc/39/39/21/943393921.db2.gz WHVWOPCCQVQQFY-HKUYNNGSSA-N 1 3 364.534 1.108 20 10 FDCDHO COc1ccc(N2CCN(CCCN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925517158 995636760 /nfs/dbraw/zinc/63/67/60/995636760.db2.gz FTODYMSJYMKHHJ-LJQVGOIWSA-N 1 3 370.541 1.793 20 10 FDCDHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888984 674102949 /nfs/dbraw/zinc/10/29/49/674102949.db2.gz ZLSRRMAZWBDYRU-WBVHZDCISA-N 1 3 351.466 1.770 20 10 FDCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)cc2)CC1 ZINC000925762349 995755591 /nfs/dbraw/zinc/75/55/91/995755591.db2.gz JDMDIZNODPFAHC-NJDAHSKKSA-N 1 3 358.530 1.685 20 10 FDCDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893223 943067610 /nfs/dbraw/zinc/06/76/10/943067610.db2.gz QOSGVMFNIDSGDC-MAUKXSAKSA-N 1 3 351.516 1.399 20 10 FDCDHO COc1cccc(C[C@@H](N)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876505954 992671321 /nfs/dbraw/zinc/67/13/21/992671321.db2.gz DFCQULFKAWZJNB-RTBURBONSA-N 1 3 356.470 1.447 20 10 FDCDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926872261 996351689 /nfs/dbraw/zinc/35/16/89/996351689.db2.gz CISVBMVAXQKGRR-UFRUDQCGSA-N 1 3 356.514 1.818 20 10 FDCDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926872261 996351696 /nfs/dbraw/zinc/35/16/96/996351696.db2.gz CISVBMVAXQKGRR-UFRUDQCGSA-N 1 3 356.514 1.818 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000899095359 845755555 /nfs/dbraw/zinc/75/55/55/845755555.db2.gz IFXQIOGNAKMAPW-WDSOQIARSA-N 1 3 359.518 1.701 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000899095359 845755559 /nfs/dbraw/zinc/75/55/59/845755559.db2.gz IFXQIOGNAKMAPW-WDSOQIARSA-N 1 3 359.518 1.701 20 10 FDCDHO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCN3C3CCOCC3)cc2)CC1 ZINC000922954245 887357590 /nfs/dbraw/zinc/35/75/90/887357590.db2.gz PMTSHWUIFQEVTJ-OAQYLSRUSA-N 1 3 358.530 1.781 20 10 FDCDHO CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923449366 889299901 /nfs/dbraw/zinc/29/99/01/889299901.db2.gz NESRKRNQFVVZES-IBGZPJMESA-N 1 3 374.529 1.541 20 10 FDCDHO CCN1CCN(c2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902514 943071148 /nfs/dbraw/zinc/07/11/48/943071148.db2.gz SAOSZBUIVZIHFJ-SZVBFZGTSA-N 1 3 364.509 1.810 20 10 FDCDHO CN1CCN(c2ccc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000775676133 971356690 /nfs/dbraw/zinc/35/66/90/971356690.db2.gz MGDROGNFBDOZKA-LEWJYISDSA-N 1 3 358.530 1.469 20 10 FDCDHO [NH3+]CC1(N(Cc2ccccc2)c2cc3c(cc2[N+](=O)[O-])CNC3)COC1 ZINC001167374544 773981208 /nfs/dbraw/zinc/98/12/08/773981208.db2.gz KOOMITOTMKLJDC-UHFFFAOYSA-N 1 3 354.410 1.932 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000899724026 846625590 /nfs/dbraw/zinc/62/55/90/846625590.db2.gz IVBCKRNYXMNMDW-QGZVFWFLSA-N 1 3 351.564 1.771 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)CN[C@@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300381 888788589 /nfs/dbraw/zinc/78/85/89/888788589.db2.gz QSCXMBWBNYBLIK-QUCCMNQESA-N 1 3 364.534 1.141 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@](C)(CN)C(C)C)CC2)cc1 ZINC000923300381 888788602 /nfs/dbraw/zinc/78/86/02/888788602.db2.gz QSCXMBWBNYBLIK-QUCCMNQESA-N 1 3 364.534 1.141 20 10 FDCDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895012 943069089 /nfs/dbraw/zinc/06/90/89/943069089.db2.gz SPMUBTHSINYGQI-QZTJIDSGSA-N 1 3 370.476 1.912 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC000844222750 947854903 /nfs/dbraw/zinc/85/49/03/947854903.db2.gz KRZSCRUMDHLIDW-UHFFFAOYSA-N 1 3 372.513 1.419 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[NH+](C)C)cc1 ZINC000893018954 792495111 /nfs/dbraw/zinc/49/51/11/792495111.db2.gz OHNBMTNGMLTCAC-APWZRJJASA-N 1 3 359.518 1.891 20 10 FDCDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893221 943067767 /nfs/dbraw/zinc/06/77/67/943067767.db2.gz QOSGVMFNIDSGDC-CRAIPNDOSA-N 1 3 351.516 1.399 20 10 FDCDHO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370705040 538091066 /nfs/dbraw/zinc/09/10/66/538091066.db2.gz DHZVAZTXGZNNJS-SIKLNZKXSA-N 1 3 372.557 1.981 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)N(C)C)cc1 ZINC000891249616 774109915 /nfs/dbraw/zinc/10/99/15/774109915.db2.gz RQIOYPWXSVIYNH-LJQANCHMSA-N 1 3 372.517 1.543 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=S)NC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000899724711 846626634 /nfs/dbraw/zinc/62/66/34/846626634.db2.gz OVSBXFDXCYUTKW-SFHVURJKSA-N 1 3 363.575 1.914 20 10 FDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC000911667695 858880787 /nfs/dbraw/zinc/88/07/87/858880787.db2.gz QOKVPBNJWUMJTE-GOSISDBHSA-N 1 3 354.454 1.664 20 10 FDCDHO Cc1cc(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381150 889058874 /nfs/dbraw/zinc/05/88/74/889058874.db2.gz RRQAZZAPKOGRMW-AZUAARDMSA-N 1 3 371.529 1.781 20 10 FDCDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893225 943067828 /nfs/dbraw/zinc/06/78/28/943067828.db2.gz QOSGVMFNIDSGDC-QAPCUYQASA-N 1 3 351.516 1.399 20 10 FDCDHO COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC[NH+](C)CC1 ZINC000872632023 987885963 /nfs/dbraw/zinc/88/59/63/987885963.db2.gz RDUBQGOBCPLFQL-SFHVURJKSA-N 1 3 350.459 1.608 20 10 FDCDHO COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC[NH+](C)CC1 ZINC000872632023 987885968 /nfs/dbraw/zinc/88/59/68/987885968.db2.gz RDUBQGOBCPLFQL-SFHVURJKSA-N 1 3 350.459 1.608 20 10 FDCDHO COc1cccc(C[C@@H](N)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876505951 992671173 /nfs/dbraw/zinc/67/11/73/992671173.db2.gz DFCQULFKAWZJNB-MOPGFXCFSA-N 1 3 356.470 1.447 20 10 FDCDHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877022107 993016365 /nfs/dbraw/zinc/01/63/65/993016365.db2.gz PCCRQWKNZBYUGH-GOSISDBHSA-N 1 3 374.529 1.325 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000891248177 774101701 /nfs/dbraw/zinc/10/17/01/774101701.db2.gz WNIOHLFRAMKKHW-UYAOXDASSA-N 1 3 362.518 1.318 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000891248177 774101703 /nfs/dbraw/zinc/10/17/03/774101703.db2.gz WNIOHLFRAMKKHW-UYAOXDASSA-N 1 3 362.518 1.318 20 10 FDCDHO CN1CCN(c2ccc(CNc3ncccc3N3CC[NH2+]CC3)cc2)CC1 ZINC001167426501 774584658 /nfs/dbraw/zinc/58/46/58/774584658.db2.gz GXGQNHRUIFMAJC-UHFFFAOYSA-N 1 3 366.513 1.855 20 10 FDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC000911667696 858880606 /nfs/dbraw/zinc/88/06/06/858880606.db2.gz QOKVPBNJWUMJTE-SFHVURJKSA-N 1 3 354.454 1.664 20 10 FDCDHO COc1ccc(N2CCN(CCN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000817893224 943067627 /nfs/dbraw/zinc/06/76/27/943067627.db2.gz FSTKCCVYFLOPDO-FFZOFVMBSA-N 1 3 362.518 1.159 20 10 FDCDHO COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC[NH+](C)CC1 ZINC000872632022 987886501 /nfs/dbraw/zinc/88/65/01/987886501.db2.gz RDUBQGOBCPLFQL-GOSISDBHSA-N 1 3 350.459 1.608 20 10 FDCDHO COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC[NH+](C)CC1 ZINC000872632022 987886511 /nfs/dbraw/zinc/88/65/11/987886511.db2.gz RDUBQGOBCPLFQL-GOSISDBHSA-N 1 3 350.459 1.608 20 10 FDCDHO COc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152349 781799084 /nfs/dbraw/zinc/79/90/84/781799084.db2.gz GSWVPSVSDQLSQY-WBVHZDCISA-N 1 3 363.502 1.867 20 10 FDCDHO COc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152349 781799094 /nfs/dbraw/zinc/79/90/94/781799094.db2.gz GSWVPSVSDQLSQY-WBVHZDCISA-N 1 3 363.502 1.867 20 10 FDCDHO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152349 781799102 /nfs/dbraw/zinc/79/91/02/781799102.db2.gz GSWVPSVSDQLSQY-WBVHZDCISA-N 1 3 363.502 1.867 20 10 FDCDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892216 943066732 /nfs/dbraw/zinc/06/67/32/943066732.db2.gz KRCXVIFKUXFBFQ-WMZOPIPTSA-N 1 3 351.516 1.529 20 10 FDCDHO C[C@@H](CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)S(C)(=O)=O ZINC000819200112 943471934 /nfs/dbraw/zinc/47/19/34/943471934.db2.gz JZIMYEHNUOKYSS-INIZCTEOSA-N 1 3 365.543 1.741 20 10 FDCDHO CCN1CCN(c2ccc(CNC(=O)c3cnc(CN)nc3)cc2F)CC1 ZINC000876783832 992912290 /nfs/dbraw/zinc/91/22/90/992912290.db2.gz ONQPSFDFFFTRGT-UHFFFAOYSA-N 1 3 372.448 1.146 20 10 FDCDHO CCN1CCN(c2ccc(CNC(=O)c3cnc(C[NH3+])nc3)cc2F)CC1 ZINC000876783832 992912295 /nfs/dbraw/zinc/91/22/95/992912295.db2.gz ONQPSFDFFFTRGT-UHFFFAOYSA-N 1 3 372.448 1.146 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)COC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000891243141 774048523 /nfs/dbraw/zinc/04/85/23/774048523.db2.gz JCYVMKNRRSRBQM-LJQANCHMSA-N 1 3 362.518 1.582 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000892901690 791599224 /nfs/dbraw/zinc/59/92/24/791599224.db2.gz BLAJHGRMZHMWIP-APWZRJJASA-N 1 3 361.534 1.996 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000892901690 791599231 /nfs/dbraw/zinc/59/92/31/791599231.db2.gz BLAJHGRMZHMWIP-APWZRJJASA-N 1 3 361.534 1.996 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](CN)C(C)(C)C)CC2)cc1 ZINC000923370519 889028627 /nfs/dbraw/zinc/02/86/27/889028627.db2.gz PTNUJPJCTWQZAL-PKOBYXMFSA-N 1 3 364.534 1.141 20 10 FDCDHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000923376456 889045894 /nfs/dbraw/zinc/04/58/94/889045894.db2.gz XUZGVDSNZDNPKR-LJQANCHMSA-N 1 3 356.474 1.411 20 10 FDCDHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000923376456 889045904 /nfs/dbraw/zinc/04/59/04/889045904.db2.gz XUZGVDSNZDNPKR-LJQANCHMSA-N 1 3 356.474 1.411 20 10 FDCDHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892039 943066763 /nfs/dbraw/zinc/06/67/63/943066763.db2.gz JCODFDHMMFJTMK-ROUUACIJSA-N 1 3 351.516 1.671 20 10 FDCDHO COc1ccc(N2CCN(CCN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000817893234 943067512 /nfs/dbraw/zinc/06/75/12/943067512.db2.gz FSTKCCVYFLOPDO-PWIZWCRZSA-N 1 3 362.518 1.159 20 10 FDCDHO COc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152344 781799161 /nfs/dbraw/zinc/79/91/61/781799161.db2.gz GSWVPSVSDQLSQY-NVXWUHKLSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152344 781799167 /nfs/dbraw/zinc/79/91/67/781799167.db2.gz GSWVPSVSDQLSQY-NVXWUHKLSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152344 781799183 /nfs/dbraw/zinc/79/91/83/781799183.db2.gz GSWVPSVSDQLSQY-NVXWUHKLSA-N 1 3 363.502 1.867 20 10 FDCDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892929435 791716933 /nfs/dbraw/zinc/71/69/33/791716933.db2.gz UMGNKYGJRBYGJU-HNNXBMFYSA-N 1 3 351.491 1.773 20 10 FDCDHO COc1cc(Br)cc(CN2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205208922 907357683 /nfs/dbraw/zinc/35/76/83/907357683.db2.gz GGVHCBRARNXROD-HNNXBMFYSA-N 1 3 359.264 1.839 20 10 FDCDHO C[C@H](CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)S(C)(=O)=O ZINC000819200113 943472070 /nfs/dbraw/zinc/47/20/70/943472070.db2.gz JZIMYEHNUOKYSS-MRXNPFEDSA-N 1 3 365.543 1.741 20 10 FDCDHO CN1CCN(c2ccc(CN3CC[NH+](C4CCOCC4)CC3)cc2)CC1 ZINC000775714957 971681165 /nfs/dbraw/zinc/68/11/65/971681165.db2.gz XQYHWGWPENTNCS-UHFFFAOYSA-N 1 3 358.530 1.735 20 10 FDCDHO COc1ccc(N2CCN(CCCN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925517235 995636703 /nfs/dbraw/zinc/63/67/03/995636703.db2.gz FTODYMSJYMKHHJ-ZBWQPJPKSA-N 1 3 370.541 1.793 20 10 FDCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925779047 995764774 /nfs/dbraw/zinc/76/47/74/995764774.db2.gz ZIGUABKAMJJWHS-GDIGMMSISA-N 1 3 360.502 1.230 20 10 FDCDHO Oc1cc2c(cc1CNC[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000702604352 884099554 /nfs/dbraw/zinc/09/95/54/884099554.db2.gz XLCRWZFUKZPGEQ-FQEVSTJZSA-N 1 3 356.422 1.848 20 10 FDCDHO Oc1cc2c(cc1CNC[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000702604352 884099583 /nfs/dbraw/zinc/09/95/83/884099583.db2.gz XLCRWZFUKZPGEQ-FQEVSTJZSA-N 1 3 356.422 1.848 20 10 FDCDHO CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923449367 889302196 /nfs/dbraw/zinc/30/21/96/889302196.db2.gz NESRKRNQFVVZES-LJQANCHMSA-N 1 3 374.529 1.541 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CCC([C@@H](C)[NH3+])CC3)CC2)cc1 ZINC000844219977 947848493 /nfs/dbraw/zinc/84/84/93/947848493.db2.gz PKCCQGDQINXJRC-MRXNPFEDSA-N 1 3 360.502 1.403 20 10 FDCDHO CC[NH+]1CCN(c2ccc(CNC(=O)CC(F)(F)CN)cc2F)CC1 ZINC000846673588 951437546 /nfs/dbraw/zinc/43/75/46/951437546.db2.gz CRLUFUVKYCCPPD-UHFFFAOYSA-N 1 3 358.408 1.568 20 10 FDCDHO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1(C)C ZINC000858135930 981853356 /nfs/dbraw/zinc/85/33/56/981853356.db2.gz HRHUKGKOVKYDEZ-QGZVFWFLSA-N 1 3 365.543 1.884 20 10 FDCDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925779052 995765100 /nfs/dbraw/zinc/76/51/00/995765100.db2.gz ZIGUABKAMJJWHS-KYNGSXCRSA-N 1 3 360.502 1.230 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](CN)C(C)(C)C)CC2)cc1 ZINC000923370518 889027853 /nfs/dbraw/zinc/02/78/53/889027853.db2.gz PTNUJPJCTWQZAL-MJGOQNOKSA-N 1 3 364.534 1.141 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CCC[C@H](CC[NH3+])C3)CC2)cc1 ZINC000844223601 947857050 /nfs/dbraw/zinc/85/70/50/947857050.db2.gz ZWWBMNJSJHJKBE-QGZVFWFLSA-N 1 3 360.502 1.405 20 10 FDCDHO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000850397479 978357309 /nfs/dbraw/zinc/35/73/09/978357309.db2.gz GEPBSDQNKHAITR-UHFFFAOYSA-N 1 3 351.516 1.495 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN(C)CCCCCC[NH3+])CC2)cc1 ZINC000872155497 987471307 /nfs/dbraw/zinc/47/13/07/987471307.db2.gz MVNFRYYXCZQRRE-UHFFFAOYSA-N 1 3 362.518 1.795 20 10 FDCDHO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000846225035 950735367 /nfs/dbraw/zinc/73/53/67/950735367.db2.gz IUQAEVMUXZNWLM-NLWGTHIKSA-N 1 3 374.529 1.587 20 10 FDCDHO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000846225034 950735922 /nfs/dbraw/zinc/73/59/22/950735922.db2.gz IUQAEVMUXZNWLM-CMKODMSKSA-N 1 3 374.529 1.587 20 10 FDCDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248548 967943968 /nfs/dbraw/zinc/94/39/68/967943968.db2.gz HLNBTZVWPQNBJL-HNNXBMFYSA-N 1 3 371.485 1.913 20 10 FDCDHO COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248548 967943970 /nfs/dbraw/zinc/94/39/70/967943970.db2.gz HLNBTZVWPQNBJL-HNNXBMFYSA-N 1 3 371.485 1.913 20 10 FDCDHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888981 674103006 /nfs/dbraw/zinc/10/30/06/674103006.db2.gz ZLSRRMAZWBDYRU-RDJZCZTQSA-N 1 3 351.466 1.770 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000899095358 845755139 /nfs/dbraw/zinc/75/51/39/845755139.db2.gz IFXQIOGNAKMAPW-UHOSZYNNSA-N 1 3 359.518 1.701 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000899095358 845755145 /nfs/dbraw/zinc/75/51/45/845755145.db2.gz IFXQIOGNAKMAPW-UHOSZYNNSA-N 1 3 359.518 1.701 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000892901694 791599418 /nfs/dbraw/zinc/59/94/18/791599418.db2.gz BLAJHGRMZHMWIP-QFBILLFUSA-N 1 3 361.534 1.996 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000892901694 791599428 /nfs/dbraw/zinc/59/94/28/791599428.db2.gz BLAJHGRMZHMWIP-QFBILLFUSA-N 1 3 361.534 1.996 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC000899095692 845756767 /nfs/dbraw/zinc/75/67/67/845756767.db2.gz LBWQHQSTOUAPEM-ZIFCJYIRSA-N 1 3 359.518 1.558 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC000899095692 845756777 /nfs/dbraw/zinc/75/67/77/845756777.db2.gz LBWQHQSTOUAPEM-ZIFCJYIRSA-N 1 3 359.518 1.558 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000899102077 845774406 /nfs/dbraw/zinc/77/44/06/845774406.db2.gz JVURNBHFIUFGHA-QFBILLFUSA-N 1 3 361.534 1.948 20 10 FDCDHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817942589 943089110 /nfs/dbraw/zinc/08/91/10/943089110.db2.gz ATOOWGKXNPENDI-OAHLLOKOSA-N 1 3 352.910 1.732 20 10 FDCDHO CN1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877499651 993307056 /nfs/dbraw/zinc/30/70/56/993307056.db2.gz RTSXZXXMUZZTLE-UHFFFAOYSA-N 1 3 360.546 1.763 20 10 FDCDHO CN1CC[NH+](C2CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)CC1 ZINC000877747060 993494931 /nfs/dbraw/zinc/49/49/31/993494931.db2.gz UIGCCYBNUGFLGO-UHFFFAOYSA-N 1 3 372.557 1.860 20 10 FDCDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924731758 994957225 /nfs/dbraw/zinc/95/72/25/994957225.db2.gz ZNTRCHRIQZJISR-RYRLBTNJSA-N 1 3 356.514 1.818 20 10 FDCDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924731758 994957228 /nfs/dbraw/zinc/95/72/28/994957228.db2.gz ZNTRCHRIQZJISR-RYRLBTNJSA-N 1 3 356.514 1.818 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000892826462 791356603 /nfs/dbraw/zinc/35/66/03/791356603.db2.gz JPWOVRNMHLQBIM-IBGZPJMESA-N 1 3 361.534 1.996 20 10 FDCDHO CCN1CCN(c2ccc(CNC(=O)NC[C@H]3CC[N@@H+]3C)cc2F)CC1 ZINC000917233941 883252954 /nfs/dbraw/zinc/25/29/54/883252954.db2.gz ZGAMRDLDCUERTH-MRXNPFEDSA-N 1 3 363.481 1.471 20 10 FDCDHO CCN1CCN(c2ccc(CNC(=O)NC[C@H]3CC[N@H+]3C)cc2F)CC1 ZINC000917233941 883252978 /nfs/dbraw/zinc/25/29/78/883252978.db2.gz ZGAMRDLDCUERTH-MRXNPFEDSA-N 1 3 363.481 1.471 20 10 FDCDHO CN1CCN(c2ccc(CN3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000775644522 970768790 /nfs/dbraw/zinc/76/87/90/970768790.db2.gz MUZGJNGHJYLJKY-UHFFFAOYSA-N 1 3 371.573 1.652 20 10 FDCDHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892215 943066890 /nfs/dbraw/zinc/06/68/90/943066890.db2.gz KRCXVIFKUXFBFQ-SJLPKXTDSA-N 1 3 351.516 1.529 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)CCN(C)C)CC2)cc1 ZINC000819061546 943400995 /nfs/dbraw/zinc/40/09/95/943400995.db2.gz WHVWOPCCQVQQFY-MJGOQNOKSA-N 1 3 364.534 1.108 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061546 943400997 /nfs/dbraw/zinc/40/09/97/943400997.db2.gz WHVWOPCCQVQQFY-MJGOQNOKSA-N 1 3 364.534 1.108 20 10 FDCDHO COc1cccc(C[C@H](N)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876505953 992671517 /nfs/dbraw/zinc/67/15/17/992671517.db2.gz DFCQULFKAWZJNB-RBUKOAKNSA-N 1 3 356.470 1.447 20 10 FDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925779055 995765187 /nfs/dbraw/zinc/76/51/87/995765187.db2.gz ZIGUABKAMJJWHS-ZOCIIQOWSA-N 1 3 360.502 1.230 20 10 FDCDHO CN(C)c1ccc(CNC(=O)CN(C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288574396 1000028695 /nfs/dbraw/zinc/02/86/95/1000028695.db2.gz AXIOZDVVCPIHGH-UHFFFAOYSA-N 1 3 363.550 1.184 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000899102080 845774421 /nfs/dbraw/zinc/77/44/21/845774421.db2.gz JVURNBHFIUFGHA-VQIMIIECSA-N 1 3 361.534 1.948 20 10 FDCDHO COc1cc(Br)cc(CN2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205208924 907337762 /nfs/dbraw/zinc/33/77/62/907337762.db2.gz GGVHCBRARNXROD-OAHLLOKOSA-N 1 3 359.264 1.839 20 10 FDCDHO CN1CCN(c2ccc(CN3CCC([N@H+](C)CCCO)CC3)cc2)CC1 ZINC000775695846 971546425 /nfs/dbraw/zinc/54/64/25/971546425.db2.gz DHMONMXBVJLKLX-UHFFFAOYSA-N 1 3 360.546 1.717 20 10 FDCDHO CN1CCN(c2ccc(CN3CCC([N@@H+](C)CCCO)CC3)cc2)CC1 ZINC000775695846 971546431 /nfs/dbraw/zinc/54/64/31/971546431.db2.gz DHMONMXBVJLKLX-UHFFFAOYSA-N 1 3 360.546 1.717 20 10 FDCDHO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370705038 538091093 /nfs/dbraw/zinc/09/10/93/538091093.db2.gz DHZVAZTXGZNNJS-DENIHFKCSA-N 1 3 372.557 1.981 20 10 FDCDHO COc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152347 781798881 /nfs/dbraw/zinc/79/88/81/781798881.db2.gz GSWVPSVSDQLSQY-RDJZCZTQSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152347 781798893 /nfs/dbraw/zinc/79/88/93/781798893.db2.gz GSWVPSVSDQLSQY-RDJZCZTQSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152347 781798904 /nfs/dbraw/zinc/79/89/04/781798904.db2.gz GSWVPSVSDQLSQY-RDJZCZTQSA-N 1 3 363.502 1.867 20 10 FDCDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895011 943068843 /nfs/dbraw/zinc/06/88/43/943068843.db2.gz SPMUBTHSINYGQI-MSOLQXFVSA-N 1 3 370.476 1.912 20 10 FDCDHO Cn1cc([C@@H]2CN(Cc3ccc(N4CCN(C)CC4)cc3)C[C@H]2[NH3+])cn1 ZINC000818431936 943238960 /nfs/dbraw/zinc/23/89/60/943238960.db2.gz WYIGBUZEHUNVDX-VQTJNVASSA-N 1 3 354.502 1.099 20 10 FDCDHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000876945576 992976984 /nfs/dbraw/zinc/97/69/84/992976984.db2.gz FRMQYHFUKGSTAT-UHFFFAOYSA-N 1 3 365.493 1.987 20 10 FDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925779049 995764652 /nfs/dbraw/zinc/76/46/52/995764652.db2.gz ZIGUABKAMJJWHS-JVPBZIDWSA-N 1 3 360.502 1.230 20 10 FDCDHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000809735079 940888098 /nfs/dbraw/zinc/88/80/98/940888098.db2.gz WUSVWDFYPHUQRT-UHFFFAOYSA-N 1 3 360.546 1.981 20 10 FDCDHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000809735079 940888104 /nfs/dbraw/zinc/88/81/04/940888104.db2.gz WUSVWDFYPHUQRT-UHFFFAOYSA-N 1 3 360.546 1.981 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[NH+](C)C)cc1 ZINC000893018957 792495289 /nfs/dbraw/zinc/49/52/89/792495289.db2.gz OHNBMTNGMLTCAC-VQIMIIECSA-N 1 3 359.518 1.891 20 10 FDCDHO CC1(C)CNC(=O)[C@@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925679258 795844993 /nfs/dbraw/zinc/84/49/93/795844993.db2.gz ZOODXEBRZAPIIW-IBGZPJMESA-N 1 3 356.514 1.833 20 10 FDCDHO COc1cc(O)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1OC ZINC000371357862 990378947 /nfs/dbraw/zinc/37/89/47/990378947.db2.gz RULXNBOKGSMFAF-RDJZCZTQSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1OC ZINC000371357862 990378956 /nfs/dbraw/zinc/37/89/56/990378956.db2.gz RULXNBOKGSMFAF-RDJZCZTQSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1OC ZINC000371357862 990378964 /nfs/dbraw/zinc/37/89/64/990378964.db2.gz RULXNBOKGSMFAF-RDJZCZTQSA-N 1 3 363.502 1.867 20 10 FDCDHO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000846225036 950735733 /nfs/dbraw/zinc/73/57/33/950735733.db2.gz IUQAEVMUXZNWLM-NSHGMRRFSA-N 1 3 374.529 1.587 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000892901696 791598837 /nfs/dbraw/zinc/59/88/37/791598837.db2.gz BLAJHGRMZHMWIP-VQIMIIECSA-N 1 3 361.534 1.996 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000892901696 791598843 /nfs/dbraw/zinc/59/88/43/791598843.db2.gz BLAJHGRMZHMWIP-VQIMIIECSA-N 1 3 361.534 1.996 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000892901692 791599131 /nfs/dbraw/zinc/59/91/31/791599131.db2.gz BLAJHGRMZHMWIP-LPHOPBHVSA-N 1 3 361.534 1.996 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000892901692 791599138 /nfs/dbraw/zinc/59/91/38/791599138.db2.gz BLAJHGRMZHMWIP-LPHOPBHVSA-N 1 3 361.534 1.996 20 10 FDCDHO CCCN1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000765976978 873921509 /nfs/dbraw/zinc/92/15/09/873921509.db2.gz DCNHNLQVBJRNQV-UHFFFAOYSA-N 1 3 365.543 1.885 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)CN(C)CC(C)(C)C[NH3+])CC2)cc1 ZINC000923294022 888786562 /nfs/dbraw/zinc/78/65/62/888786562.db2.gz DDXPXHBCMAJLSZ-SFHVURJKSA-N 1 3 364.534 1.095 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CC[C@H](C[NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923501309 889519401 /nfs/dbraw/zinc/51/94/01/889519401.db2.gz QFYKOTGPLFNAEX-DLBZAZTESA-N 1 3 360.502 1.261 20 10 FDCDHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892037 943066828 /nfs/dbraw/zinc/06/68/28/943066828.db2.gz JCODFDHMMFJTMK-MSOLQXFVSA-N 1 3 351.516 1.671 20 10 FDCDHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(N3CCOCC3)cc2)CC1 ZINC001200089009 974675375 /nfs/dbraw/zinc/67/53/75/974675375.db2.gz OTFGGGOJJQKSHK-UHFFFAOYSA-N 1 3 374.529 1.556 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC000899095357 845755677 /nfs/dbraw/zinc/75/56/77/845755677.db2.gz IFXQIOGNAKMAPW-QXAKKESOSA-N 1 3 359.518 1.701 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC000899095357 845755684 /nfs/dbraw/zinc/75/56/84/845755684.db2.gz IFXQIOGNAKMAPW-QXAKKESOSA-N 1 3 359.518 1.701 20 10 FDCDHO CC(C)N1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000765981516 877414913 /nfs/dbraw/zinc/41/49/13/877414913.db2.gz VYVUQRMXLAVYOW-UHFFFAOYSA-N 1 3 365.543 1.884 20 10 FDCDHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000878358721 993922268 /nfs/dbraw/zinc/92/22/68/993922268.db2.gz SWSPROASMUPJDR-INIZCTEOSA-N 1 3 360.502 1.384 20 10 FDCDHO COc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(O)c1OC ZINC000894454663 818065950 /nfs/dbraw/zinc/06/59/50/818065950.db2.gz ZHTQSGQKFYKZKZ-UHFFFAOYSA-N 1 3 351.491 1.867 20 10 FDCDHO COc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(O)c1OC ZINC000894454663 818065958 /nfs/dbraw/zinc/06/59/58/818065958.db2.gz ZHTQSGQKFYKZKZ-UHFFFAOYSA-N 1 3 351.491 1.867 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000899102071 845774600 /nfs/dbraw/zinc/77/46/00/845774600.db2.gz JVURNBHFIUFGHA-APWZRJJASA-N 1 3 361.534 1.948 20 10 FDCDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895013 943069354 /nfs/dbraw/zinc/06/93/54/943069354.db2.gz SPMUBTHSINYGQI-ROUUACIJSA-N 1 3 370.476 1.912 20 10 FDCDHO CCN1CCN(c2ccc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2F)CC1 ZINC000817902515 943070962 /nfs/dbraw/zinc/07/09/62/943070962.db2.gz SAOSZBUIVZIHFJ-VDZJLULYSA-N 1 3 364.509 1.810 20 10 FDCDHO CN1CCN(c2ccc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000775676137 971357764 /nfs/dbraw/zinc/35/77/64/971357764.db2.gz MGDROGNFBDOZKA-SFTDATJTSA-N 1 3 358.530 1.469 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CCC4(CC[NH2+]C4)CC3)CC2)cc1 ZINC000844223706 947857073 /nfs/dbraw/zinc/85/70/73/947857073.db2.gz ADXOFOOMKOFVDK-UHFFFAOYSA-N 1 3 372.513 1.419 20 10 FDCDHO COc1cccc(C[C@H](N)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876505952 992670954 /nfs/dbraw/zinc/67/09/54/992670954.db2.gz DFCQULFKAWZJNB-OALUTQOASA-N 1 3 356.470 1.447 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)COC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000891243140 774048256 /nfs/dbraw/zinc/04/82/56/774048256.db2.gz JCYVMKNRRSRBQM-IBGZPJMESA-N 1 3 362.518 1.582 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000891248175 774101725 /nfs/dbraw/zinc/10/17/25/774101725.db2.gz WNIOHLFRAMKKHW-QUCCMNQESA-N 1 3 362.518 1.318 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000891248175 774101727 /nfs/dbraw/zinc/10/17/27/774101727.db2.gz WNIOHLFRAMKKHW-QUCCMNQESA-N 1 3 362.518 1.318 20 10 FDCDHO CN(C)CCn1nccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250552 774115342 /nfs/dbraw/zinc/11/53/42/774115342.db2.gz WWRNJOLMDXCISN-IBGZPJMESA-N 1 3 372.517 1.543 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000904518329 851271665 /nfs/dbraw/zinc/27/16/65/851271665.db2.gz LKRPBIUTIKDMCK-ZIAGYGMSSA-N 1 3 361.412 1.544 20 10 FDCDHO COc1ccc(N2CCN(CCN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000817893231 943067901 /nfs/dbraw/zinc/06/79/01/943067901.db2.gz FSTKCCVYFLOPDO-NSISKUIASA-N 1 3 362.518 1.159 20 10 FDCDHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877022108 993015614 /nfs/dbraw/zinc/01/56/14/993015614.db2.gz PCCRQWKNZBYUGH-SFHVURJKSA-N 1 3 374.529 1.325 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000892826463 791357716 /nfs/dbraw/zinc/35/77/16/791357716.db2.gz JPWOVRNMHLQBIM-LJQANCHMSA-N 1 3 361.534 1.996 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000895602613 822665185 /nfs/dbraw/zinc/66/51/85/822665185.db2.gz AJGUSOXRZDBHJK-IPELMVKDSA-N 1 3 361.534 1.995 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)N(C)C)cc1 ZINC000899095362 845756427 /nfs/dbraw/zinc/75/64/27/845756427.db2.gz IGBFVQXJTPSUMP-HFSMHLIXSA-N 1 3 373.545 1.948 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)N(C)C)cc1 ZINC000899095362 845756433 /nfs/dbraw/zinc/75/64/33/845756433.db2.gz IGBFVQXJTPSUMP-HFSMHLIXSA-N 1 3 373.545 1.948 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC000899095689 845756474 /nfs/dbraw/zinc/75/64/74/845756474.db2.gz LBWQHQSTOUAPEM-SCTDSRPQSA-N 1 3 359.518 1.558 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC000899095689 845756477 /nfs/dbraw/zinc/75/64/77/845756477.db2.gz LBWQHQSTOUAPEM-SCTDSRPQSA-N 1 3 359.518 1.558 20 10 FDCDHO CCN1CCN(c2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cc2F)CC1 ZINC000819032688 943408493 /nfs/dbraw/zinc/40/84/93/943408493.db2.gz JQBCEXLIPRZFBN-SFHVURJKSA-N 1 3 364.509 1.512 20 10 FDCDHO CCN1CCN(c2ccc(CNC[C@H](O)C[N@@H+](C)C3CC3)cc2F)CC1 ZINC000819032688 943408496 /nfs/dbraw/zinc/40/84/96/943408496.db2.gz JQBCEXLIPRZFBN-SFHVURJKSA-N 1 3 364.509 1.512 20 10 FDCDHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000878358722 993922382 /nfs/dbraw/zinc/92/23/82/993922382.db2.gz SWSPROASMUPJDR-MRXNPFEDSA-N 1 3 360.502 1.384 20 10 FDCDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892929436 791718009 /nfs/dbraw/zinc/71/80/09/791718009.db2.gz UMGNKYGJRBYGJU-OAHLLOKOSA-N 1 3 351.491 1.773 20 10 FDCDHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000923376454 889046411 /nfs/dbraw/zinc/04/64/11/889046411.db2.gz XUZGVDSNZDNPKR-IBGZPJMESA-N 1 3 356.474 1.411 20 10 FDCDHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000923376454 889046419 /nfs/dbraw/zinc/04/64/19/889046419.db2.gz XUZGVDSNZDNPKR-IBGZPJMESA-N 1 3 356.474 1.411 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)N(C)C)cc1 ZINC000891249613 774110151 /nfs/dbraw/zinc/11/01/51/774110151.db2.gz RQIOYPWXSVIYNH-IBGZPJMESA-N 1 3 372.517 1.543 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000895602611 822665117 /nfs/dbraw/zinc/66/51/17/822665117.db2.gz AJGUSOXRZDBHJK-AYOQOUSVSA-N 1 3 361.534 1.995 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)CN[C@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300383 888789829 /nfs/dbraw/zinc/78/98/29/888789829.db2.gz QSCXMBWBNYBLIK-UYAOXDASSA-N 1 3 364.534 1.141 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@](C)(CN)C(C)C)CC2)cc1 ZINC000923300383 888789839 /nfs/dbraw/zinc/78/98/39/888789839.db2.gz QSCXMBWBNYBLIK-UYAOXDASSA-N 1 3 364.534 1.141 20 10 FDCDHO Cc1cc(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381162 889058816 /nfs/dbraw/zinc/05/88/16/889058816.db2.gz RRQAZZAPKOGRMW-ICSRJNTNSA-N 1 3 371.529 1.781 20 10 FDCDHO Cc1cc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)ccc1N(C)C ZINC000923398216 889128418 /nfs/dbraw/zinc/12/84/18/889128418.db2.gz IOHKEMAXKBLFKS-MOPGFXCFSA-N 1 3 358.486 1.818 20 10 FDCDHO CN(C)C[C@@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc2O1 ZINC000592961259 552049257 /nfs/dbraw/zinc/04/92/57/552049257.db2.gz JTPLXOQVFJAYTI-HUUCEWRRSA-N 1 3 369.469 1.689 20 10 FDCDHO COc1ccc(N2CCN(CCCNc3cc[nH+]cc3CO)CC2)cc1 ZINC000891595286 778434910 /nfs/dbraw/zinc/43/49/10/778434910.db2.gz RKHQHUDVBGWQOM-UHFFFAOYSA-N 1 3 356.470 1.629 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[NH+](C)C)cc1 ZINC000893018956 792494843 /nfs/dbraw/zinc/49/48/43/792494843.db2.gz OHNBMTNGMLTCAC-QFBILLFUSA-N 1 3 359.518 1.891 20 10 FDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000844162698 947842277 /nfs/dbraw/zinc/84/22/77/947842277.db2.gz MMBZNWMPSUYVDP-LJQANCHMSA-N 1 3 374.529 1.904 20 10 FDCDHO COc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152341 781799380 /nfs/dbraw/zinc/79/93/80/781799380.db2.gz GSWVPSVSDQLSQY-DOTOQJQBSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152341 781799390 /nfs/dbraw/zinc/79/93/90/781799390.db2.gz GSWVPSVSDQLSQY-DOTOQJQBSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152341 781799400 /nfs/dbraw/zinc/79/94/00/781799400.db2.gz GSWVPSVSDQLSQY-DOTOQJQBSA-N 1 3 363.502 1.867 20 10 FDCDHO CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001198901173 973632307 /nfs/dbraw/zinc/63/23/07/973632307.db2.gz PZINEZKGNHGDIJ-OAQYLSRUSA-N 1 3 360.546 1.885 20 10 FDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)cc1 ZINC000876506165 992672369 /nfs/dbraw/zinc/67/23/69/992672369.db2.gz GJRZBBGKHHXXBS-UXHICEINSA-N 1 3 369.513 1.328 20 10 FDCDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925053937 995265084 /nfs/dbraw/zinc/26/50/84/995265084.db2.gz AQOIRNSZJYGQRU-JJTKIYQPSA-N 1 3 363.527 1.351 20 10 FDCDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925053937 995265095 /nfs/dbraw/zinc/26/50/95/995265095.db2.gz AQOIRNSZJYGQRU-JJTKIYQPSA-N 1 3 363.527 1.351 20 10 FDCDHO COC(=O)c1c(CNCC2(O)CC[NH+](C)CC2)c2cc(F)ccc2n1C ZINC000894302967 815844509 /nfs/dbraw/zinc/84/45/09/815844509.db2.gz FUOSGSQZINTNNY-UHFFFAOYSA-N 1 3 363.433 1.650 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000904518325 851271114 /nfs/dbraw/zinc/27/11/14/851271114.db2.gz LKRPBIUTIKDMCK-KBPBESRZSA-N 1 3 361.412 1.544 20 10 FDCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)cc2)CC1 ZINC000925762351 995755319 /nfs/dbraw/zinc/75/53/19/995755319.db2.gz JDMDIZNODPFAHC-NJYVYQBISA-N 1 3 358.530 1.685 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C[NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923501311 889519855 /nfs/dbraw/zinc/51/98/55/889519855.db2.gz QFYKOTGPLFNAEX-IRXDYDNUSA-N 1 3 360.502 1.261 20 10 FDCDHO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000846225033 950735964 /nfs/dbraw/zinc/73/59/64/950735964.db2.gz IUQAEVMUXZNWLM-BJLQDIEVSA-N 1 3 374.529 1.587 20 10 FDCDHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1(C)C ZINC000858135929 981853405 /nfs/dbraw/zinc/85/34/05/981853405.db2.gz HRHUKGKOVKYDEZ-KRWDZBQOSA-N 1 3 365.543 1.884 20 10 FDCDHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888975 674103041 /nfs/dbraw/zinc/10/30/41/674103041.db2.gz ZLSRRMAZWBDYRU-DOTOQJQBSA-N 1 3 351.466 1.770 20 10 FDCDHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892214 943067134 /nfs/dbraw/zinc/06/71/34/943067134.db2.gz KRCXVIFKUXFBFQ-FUHWJXTLSA-N 1 3 351.516 1.529 20 10 FDCDHO CCN1CCN(c2ccc(CNC[C@@H](O)C[N@H+](C)C3CC3)cc2F)CC1 ZINC000819032687 943408209 /nfs/dbraw/zinc/40/82/09/943408209.db2.gz JQBCEXLIPRZFBN-GOSISDBHSA-N 1 3 364.509 1.512 20 10 FDCDHO CCN1CCN(c2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cc2F)CC1 ZINC000819032687 943408220 /nfs/dbraw/zinc/40/82/20/943408220.db2.gz JQBCEXLIPRZFBN-GOSISDBHSA-N 1 3 364.509 1.512 20 10 FDCDHO CN1CCN(c2ccc(CNc3nccc(N4CC[NH2+]CC4)n3)cc2)CC1 ZINC001167423262 774570151 /nfs/dbraw/zinc/57/01/51/774570151.db2.gz TWOIBHHLDJKEKV-UHFFFAOYSA-N 1 3 367.501 1.250 20 10 FDCDHO Cc1cc(CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381166 889059263 /nfs/dbraw/zinc/05/92/63/889059263.db2.gz RRQAZZAPKOGRMW-UYAOXDASSA-N 1 3 371.529 1.781 20 10 FDCDHO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1OC ZINC000371357860 990379555 /nfs/dbraw/zinc/37/95/55/990379555.db2.gz RULXNBOKGSMFAF-DOTOQJQBSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1OC ZINC000371357860 990379563 /nfs/dbraw/zinc/37/95/63/990379563.db2.gz RULXNBOKGSMFAF-DOTOQJQBSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1OC ZINC000371357860 990379574 /nfs/dbraw/zinc/37/95/74/990379574.db2.gz RULXNBOKGSMFAF-DOTOQJQBSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1OC ZINC000289460448 676139701 /nfs/dbraw/zinc/13/97/01/676139701.db2.gz OIXXEUJEXFWAHV-UHFFFAOYSA-N 1 3 351.491 1.867 20 10 FDCDHO COc1cc(O)c(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1OC ZINC000289460448 676139703 /nfs/dbraw/zinc/13/97/03/676139703.db2.gz OIXXEUJEXFWAHV-UHFFFAOYSA-N 1 3 351.491 1.867 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[NH+](C)C)cc1 ZINC000893018955 792494746 /nfs/dbraw/zinc/49/47/46/792494746.db2.gz OHNBMTNGMLTCAC-LPHOPBHVSA-N 1 3 359.518 1.891 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000904518327 851271836 /nfs/dbraw/zinc/27/18/36/851271836.db2.gz LKRPBIUTIKDMCK-KGLIPLIRSA-N 1 3 361.412 1.544 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](CN)C(C)(C)C)CC2)cc1 ZINC000923370517 889028118 /nfs/dbraw/zinc/02/81/18/889028118.db2.gz PTNUJPJCTWQZAL-IEBWSBKVSA-N 1 3 364.534 1.141 20 10 FDCDHO Cc1cc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381164 889058205 /nfs/dbraw/zinc/05/82/05/889058205.db2.gz RRQAZZAPKOGRMW-QUCCMNQESA-N 1 3 371.529 1.781 20 10 FDCDHO COc1ccc(Br)c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205240843 909566436 /nfs/dbraw/zinc/56/64/36/909566436.db2.gz OQCLZYNKEWRQAC-HNNXBMFYSA-N 1 3 359.264 1.839 20 10 FDCDHO COc1ccc(Br)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205240843 909566449 /nfs/dbraw/zinc/56/64/49/909566449.db2.gz OQCLZYNKEWRQAC-HNNXBMFYSA-N 1 3 359.264 1.839 20 10 FDCDHO CCN1CCN(c2ccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2F)CC1 ZINC000817902513 943071218 /nfs/dbraw/zinc/07/12/18/943071218.db2.gz SAOSZBUIVZIHFJ-KVSKMBFKSA-N 1 3 364.509 1.810 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)CCN(C)C)CC2)cc1 ZINC000819061545 943393678 /nfs/dbraw/zinc/39/36/78/943393678.db2.gz WHVWOPCCQVQQFY-IEBWSBKVSA-N 1 3 364.534 1.108 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)CN[C@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061545 943393685 /nfs/dbraw/zinc/39/36/85/943393685.db2.gz WHVWOPCCQVQQFY-IEBWSBKVSA-N 1 3 364.534 1.108 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)CCN(C)C)CC2)cc1 ZINC000819061547 943401160 /nfs/dbraw/zinc/40/11/60/943401160.db2.gz WHVWOPCCQVQQFY-PKOBYXMFSA-N 1 3 364.534 1.108 20 10 FDCDHO COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC000819061547 943401163 /nfs/dbraw/zinc/40/11/63/943401163.db2.gz WHVWOPCCQVQQFY-PKOBYXMFSA-N 1 3 364.534 1.108 20 10 FDCDHO COCC[NH+]1CCC(NCc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001199769659 974496155 /nfs/dbraw/zinc/49/61/55/974496155.db2.gz QIOGZNUKBQXWGZ-UHFFFAOYSA-N 1 3 364.509 1.778 20 10 FDCDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924731754 994957461 /nfs/dbraw/zinc/95/74/61/994957461.db2.gz ZNTRCHRIQZJISR-JTUYAUNFSA-N 1 3 356.514 1.818 20 10 FDCDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924731754 994957464 /nfs/dbraw/zinc/95/74/64/994957464.db2.gz ZNTRCHRIQZJISR-JTUYAUNFSA-N 1 3 356.514 1.818 20 10 FDCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)cc2)CC1 ZINC000925762353 995755401 /nfs/dbraw/zinc/75/54/01/995755401.db2.gz JDMDIZNODPFAHC-PWRODBHTSA-N 1 3 358.530 1.685 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000904518328 851271433 /nfs/dbraw/zinc/27/14/33/851271433.db2.gz LKRPBIUTIKDMCK-UONOGXRCSA-N 1 3 361.412 1.544 20 10 FDCDHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000925488572 970054852 /nfs/dbraw/zinc/05/48/52/970054852.db2.gz TWKORSSZRAJAKX-DLBZAZTESA-N 1 3 365.543 1.917 20 10 FDCDHO CCN1CCN(c2ccc(CNC(=O)c3c[nH+]ccc3N)cc2F)CC1 ZINC000844190357 947826941 /nfs/dbraw/zinc/82/69/41/947826941.db2.gz KBARWSSTWZCVAC-UHFFFAOYSA-N 1 3 357.433 1.705 20 10 FDCDHO CCN(CC)c1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254403 987545566 /nfs/dbraw/zinc/54/55/66/987545566.db2.gz CHMVFDXXFMTIDN-OTWHNJEPSA-N 1 3 358.486 1.900 20 10 FDCDHO COc1cccc(CNCc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)c1O ZINC000363534692 989276642 /nfs/dbraw/zinc/27/66/42/989276642.db2.gz NJUIPORSZHVFQF-UHFFFAOYSA-N 1 3 373.501 1.874 20 10 FDCDHO COc1cccc(CNCc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)c1O ZINC000363534692 989276649 /nfs/dbraw/zinc/27/66/49/989276649.db2.gz NJUIPORSZHVFQF-UHFFFAOYSA-N 1 3 373.501 1.874 20 10 FDCDHO CN1CC[NH+](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC000877747221 993495007 /nfs/dbraw/zinc/49/50/07/993495007.db2.gz CRPQWIBFWITJAC-UHFFFAOYSA-N 1 3 358.530 1.735 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)N(C)C)cc1 ZINC000891250259 774122702 /nfs/dbraw/zinc/12/27/02/774122702.db2.gz VYQLCDLRLPOZSU-LJQANCHMSA-N 1 3 372.517 1.543 20 10 FDCDHO COc1cc([O-])c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530249814 539920273 /nfs/dbraw/zinc/92/02/73/539920273.db2.gz YYZLKUQGOGDEHN-MRXNPFEDSA-N 1 3 350.459 2.000 20 10 FDCDHO COc1cc(O)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530249814 539920280 /nfs/dbraw/zinc/92/02/80/539920280.db2.gz YYZLKUQGOGDEHN-MRXNPFEDSA-N 1 3 350.459 2.000 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000899104174 845777292 /nfs/dbraw/zinc/77/72/92/845777292.db2.gz QHZVWPLADLCGET-IBGZPJMESA-N 1 3 359.518 1.916 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000899104174 845777298 /nfs/dbraw/zinc/77/72/98/845777298.db2.gz QHZVWPLADLCGET-IBGZPJMESA-N 1 3 359.518 1.916 20 10 FDCDHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000925488574 970057135 /nfs/dbraw/zinc/05/71/35/970057135.db2.gz TWKORSSZRAJAKX-IRXDYDNUSA-N 1 3 365.543 1.917 20 10 FDCDHO CN1CCN(c2ccc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000850397272 978357368 /nfs/dbraw/zinc/35/73/68/978357368.db2.gz UYNOSGWVPAQGLA-OAQYLSRUSA-N 1 3 358.530 1.781 20 10 FDCDHO CN(C)C[C@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc2O1 ZINC000592961257 552049392 /nfs/dbraw/zinc/04/93/92/552049392.db2.gz JTPLXOQVFJAYTI-GJZGRUSLSA-N 1 3 369.469 1.689 20 10 FDCDHO Oc1cc2c(cc1CNC[C@]1(O)CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000702604388 884098724 /nfs/dbraw/zinc/09/87/24/884098724.db2.gz XLCRWZFUKZPGEQ-HXUWFJFHSA-N 1 3 356.422 1.848 20 10 FDCDHO Oc1cc2c(cc1CNC[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000702604388 884098746 /nfs/dbraw/zinc/09/87/46/884098746.db2.gz XLCRWZFUKZPGEQ-HXUWFJFHSA-N 1 3 356.422 1.848 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](CC[NH3+])C3)CC2)cc1 ZINC000844223600 947857320 /nfs/dbraw/zinc/85/73/20/947857320.db2.gz ZWWBMNJSJHJKBE-KRWDZBQOSA-N 1 3 360.502 1.405 20 10 FDCDHO CN1CCN(c2ccc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cc2)CC1 ZINC000850397271 978357591 /nfs/dbraw/zinc/35/75/91/978357591.db2.gz UYNOSGWVPAQGLA-NRFANRHFSA-N 1 3 358.530 1.781 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)N(C)C)cc1 ZINC000899095361 845756307 /nfs/dbraw/zinc/75/63/07/845756307.db2.gz IGBFVQXJTPSUMP-FBBABVLZSA-N 1 3 373.545 1.948 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)N(C)C)cc1 ZINC000899095361 845756311 /nfs/dbraw/zinc/75/63/11/845756311.db2.gz IGBFVQXJTPSUMP-FBBABVLZSA-N 1 3 373.545 1.948 20 10 FDCDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893228 943067880 /nfs/dbraw/zinc/06/78/80/943067880.db2.gz QOSGVMFNIDSGDC-YJBOKZPZSA-N 1 3 351.516 1.399 20 10 FDCDHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817942587 943088994 /nfs/dbraw/zinc/08/89/94/943088994.db2.gz ATOOWGKXNPENDI-HNNXBMFYSA-N 1 3 352.910 1.732 20 10 FDCDHO CC[NH+]1CCN(CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278916083 537343122 /nfs/dbraw/zinc/34/31/22/537343122.db2.gz UBTJHKQSQVHEDR-UHFFFAOYSA-N 1 3 366.462 1.816 20 10 FDCDHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000237823155 537641879 /nfs/dbraw/zinc/64/18/79/537641879.db2.gz DDBCETSGFSDCLG-ALOPSCKCSA-N 1 3 360.477 1.772 20 10 FDCDHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892213 943067195 /nfs/dbraw/zinc/06/71/95/943067195.db2.gz KRCXVIFKUXFBFQ-AEFFLSMTSA-N 1 3 351.516 1.529 20 10 FDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)cc1 ZINC000876506164 992672656 /nfs/dbraw/zinc/67/26/56/992672656.db2.gz GJRZBBGKHHXXBS-PMACEKPBSA-N 1 3 369.513 1.328 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000899102074 845774312 /nfs/dbraw/zinc/77/43/12/845774312.db2.gz JVURNBHFIUFGHA-LPHOPBHVSA-N 1 3 361.534 1.948 20 10 FDCDHO CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(C1)CC[NH+](C)CC3)cc2=O ZINC000878865752 994300244 /nfs/dbraw/zinc/30/02/44/994300244.db2.gz COCKEGOEDBVIRP-UHFFFAOYSA-N 1 3 373.457 1.529 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300380 888786633 /nfs/dbraw/zinc/78/66/33/888786633.db2.gz QSCXMBWBNYBLIK-ICSRJNTNSA-N 1 3 364.534 1.141 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@](C)(CN)C(C)C)CC2)cc1 ZINC000923300380 888786643 /nfs/dbraw/zinc/78/66/43/888786643.db2.gz QSCXMBWBNYBLIK-ICSRJNTNSA-N 1 3 364.534 1.141 20 10 FDCDHO CC1(C)C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]([NH3+])C1 ZINC000925488576 970087496 /nfs/dbraw/zinc/08/74/96/970087496.db2.gz TWKORSSZRAJAKX-SJORKVTESA-N 1 3 365.543 1.917 20 10 FDCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)cc2)CC1 ZINC000925762346 995755062 /nfs/dbraw/zinc/75/50/62/995755062.db2.gz JDMDIZNODPFAHC-HBMCJLEFSA-N 1 3 358.530 1.685 20 10 FDCDHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888978 674103071 /nfs/dbraw/zinc/10/30/71/674103071.db2.gz ZLSRRMAZWBDYRU-NVXWUHKLSA-N 1 3 351.466 1.770 20 10 FDCDHO CC1(C)CNC(=O)[C@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925679487 795844863 /nfs/dbraw/zinc/84/48/63/795844863.db2.gz ZOODXEBRZAPIIW-LJQANCHMSA-N 1 3 356.514 1.833 20 10 FDCDHO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCN3C3CCOCC3)cc2)CC1 ZINC000922954242 887357410 /nfs/dbraw/zinc/35/74/10/887357410.db2.gz PMTSHWUIFQEVTJ-NRFANRHFSA-N 1 3 358.530 1.781 20 10 FDCDHO COc1cc([O-])c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530249813 539920839 /nfs/dbraw/zinc/92/08/39/539920839.db2.gz YYZLKUQGOGDEHN-INIZCTEOSA-N 1 3 350.459 2.000 20 10 FDCDHO COc1cc(O)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530249813 539920843 /nfs/dbraw/zinc/92/08/43/539920843.db2.gz YYZLKUQGOGDEHN-INIZCTEOSA-N 1 3 350.459 2.000 20 10 FDCDHO CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[N@@H+]3C)cc2F)CC1 ZINC000917233940 883253504 /nfs/dbraw/zinc/25/35/04/883253504.db2.gz ZGAMRDLDCUERTH-INIZCTEOSA-N 1 3 363.481 1.471 20 10 FDCDHO CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[N@H+]3C)cc2F)CC1 ZINC000917233940 883253521 /nfs/dbraw/zinc/25/35/21/883253521.db2.gz ZGAMRDLDCUERTH-INIZCTEOSA-N 1 3 363.481 1.471 20 10 FDCDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248551 967943943 /nfs/dbraw/zinc/94/39/43/967943943.db2.gz HLNBTZVWPQNBJL-OAHLLOKOSA-N 1 3 371.485 1.913 20 10 FDCDHO COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248551 967943947 /nfs/dbraw/zinc/94/39/47/967943947.db2.gz HLNBTZVWPQNBJL-OAHLLOKOSA-N 1 3 371.485 1.913 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)N(C)C)cc1 ZINC000891250258 774122551 /nfs/dbraw/zinc/12/25/51/774122551.db2.gz VYQLCDLRLPOZSU-IBGZPJMESA-N 1 3 372.517 1.543 20 10 FDCDHO COc1ccc(N2CCN(CCN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000817893227 943067462 /nfs/dbraw/zinc/06/74/62/943067462.db2.gz FSTKCCVYFLOPDO-LSTHTHJFSA-N 1 3 362.518 1.159 20 10 FDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000844162697 947842692 /nfs/dbraw/zinc/84/26/92/947842692.db2.gz MMBZNWMPSUYVDP-IBGZPJMESA-N 1 3 374.529 1.904 20 10 FDCDHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000925488573 970057282 /nfs/dbraw/zinc/05/72/82/970057282.db2.gz TWKORSSZRAJAKX-IAGOWNOFSA-N 1 3 365.543 1.917 20 10 FDCDHO CCN(CC)c1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254404 987545476 /nfs/dbraw/zinc/54/54/76/987545476.db2.gz CHMVFDXXFMTIDN-QRVBRYPASA-N 1 3 358.486 1.900 20 10 FDCDHO COc1cc(O)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1OC ZINC000371357863 990379417 /nfs/dbraw/zinc/37/94/17/990379417.db2.gz RULXNBOKGSMFAF-WBVHZDCISA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1OC ZINC000371357863 990379421 /nfs/dbraw/zinc/37/94/21/990379421.db2.gz RULXNBOKGSMFAF-WBVHZDCISA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1OC ZINC000371357863 990379426 /nfs/dbraw/zinc/37/94/26/990379426.db2.gz RULXNBOKGSMFAF-WBVHZDCISA-N 1 3 363.502 1.867 20 10 FDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)CN(C)Cc2ccccc2)cc1 ZINC000876506167 992672537 /nfs/dbraw/zinc/67/25/37/992672537.db2.gz GJRZBBGKHHXXBS-WOJBJXKFSA-N 1 3 369.513 1.328 20 10 FDCDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269075029 537018992 /nfs/dbraw/zinc/01/89/92/537018992.db2.gz YETNIGDIPFRDCD-OAHLLOKOSA-N 1 3 351.466 1.770 20 10 FDCDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102103 828678118 /nfs/dbraw/zinc/67/81/18/828678118.db2.gz CBIVXPMGMUCKEX-KRWDZBQOSA-N 1 3 361.490 1.082 20 10 FDCDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102103 828678120 /nfs/dbraw/zinc/67/81/20/828678120.db2.gz CBIVXPMGMUCKEX-KRWDZBQOSA-N 1 3 361.490 1.082 20 10 FDCDHO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370705039 538091131 /nfs/dbraw/zinc/09/11/31/538091131.db2.gz DHZVAZTXGZNNJS-KNQAVFIVSA-N 1 3 372.557 1.981 20 10 FDCDHO CN(C)CCn1nccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250553 774115477 /nfs/dbraw/zinc/11/54/77/774115477.db2.gz WWRNJOLMDXCISN-LJQANCHMSA-N 1 3 372.517 1.543 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000891248171 774101793 /nfs/dbraw/zinc/10/17/93/774101793.db2.gz WNIOHLFRAMKKHW-AZUAARDMSA-N 1 3 362.518 1.318 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000891248171 774101798 /nfs/dbraw/zinc/10/17/98/774101798.db2.gz WNIOHLFRAMKKHW-AZUAARDMSA-N 1 3 362.518 1.318 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)N(C)C)cc1 ZINC000891246569 774089790 /nfs/dbraw/zinc/08/97/90/774089790.db2.gz PMVVYVFIRWMHLB-FQEVSTJZSA-N 1 3 374.529 1.582 20 10 FDCDHO CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001198901171 973632890 /nfs/dbraw/zinc/63/28/90/973632890.db2.gz PZINEZKGNHGDIJ-NRFANRHFSA-N 1 3 360.546 1.885 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000899724019 846625566 /nfs/dbraw/zinc/62/55/66/846625566.db2.gz IVBCKRNYXMNMDW-KRWDZBQOSA-N 1 3 351.564 1.771 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000923501312 889520060 /nfs/dbraw/zinc/52/00/60/889520060.db2.gz QFYKOTGPLFNAEX-SJORKVTESA-N 1 3 360.502 1.261 20 10 FDCDHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892040 943066811 /nfs/dbraw/zinc/06/68/11/943066811.db2.gz JCODFDHMMFJTMK-ZWKOTPCHSA-N 1 3 351.516 1.671 20 10 FDCDHO CCOc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c([O-])c1 ZINC000863641751 973077123 /nfs/dbraw/zinc/07/71/23/973077123.db2.gz ASWVFWCHUYHFCN-AEFFLSMTSA-N 1 3 361.442 1.548 20 10 FDCDHO CN(C)C[C@@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc2O1 ZINC000592961260 552049229 /nfs/dbraw/zinc/04/92/29/552049229.db2.gz JTPLXOQVFJAYTI-LSDHHAIUSA-N 1 3 369.469 1.689 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CCC([C@H](C)[NH3+])CC3)CC2)cc1 ZINC000844219975 947848793 /nfs/dbraw/zinc/84/87/93/947848793.db2.gz PKCCQGDQINXJRC-INIZCTEOSA-N 1 3 360.502 1.403 20 10 FDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)CN(C)Cc2ccccc2)cc1 ZINC000876506166 992672215 /nfs/dbraw/zinc/67/22/15/992672215.db2.gz GJRZBBGKHHXXBS-VQTJNVASSA-N 1 3 369.513 1.328 20 10 FDCDHO COc1c([O-])c(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278880436 806931370 /nfs/dbraw/zinc/93/13/70/806931370.db2.gz OAZRTUUZVJAKQC-UHFFFAOYSA-N 1 3 366.462 1.672 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC000899095360 845756650 /nfs/dbraw/zinc/75/66/50/845756650.db2.gz IFXQIOGNAKMAPW-YTQUADARSA-N 1 3 359.518 1.701 20 10 FDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC000899095360 845756657 /nfs/dbraw/zinc/75/66/57/845756657.db2.gz IFXQIOGNAKMAPW-YTQUADARSA-N 1 3 359.518 1.701 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=S)NC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000899724709 846625785 /nfs/dbraw/zinc/62/57/85/846625785.db2.gz OVSBXFDXCYUTKW-GOSISDBHSA-N 1 3 363.575 1.914 20 10 FDCDHO COc1ccc(N2CCN(C(=O)CN3CC[C@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000923501310 889519485 /nfs/dbraw/zinc/51/94/85/889519485.db2.gz QFYKOTGPLFNAEX-IAGOWNOFSA-N 1 3 360.502 1.261 20 10 FDCDHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892038 943067053 /nfs/dbraw/zinc/06/70/53/943067053.db2.gz JCODFDHMMFJTMK-QZTJIDSGSA-N 1 3 351.516 1.671 20 10 FDCDHO CN1CCN(c2ccc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000775676134 971357875 /nfs/dbraw/zinc/35/78/75/971357875.db2.gz MGDROGNFBDOZKA-NHCUHLMSSA-N 1 3 358.530 1.469 20 10 FDCDHO CN1CCN(c2ccc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000775676136 971358094 /nfs/dbraw/zinc/35/80/94/971358094.db2.gz MGDROGNFBDOZKA-RTWAWAEBSA-N 1 3 358.530 1.469 20 10 FDCDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269075027 537018976 /nfs/dbraw/zinc/01/89/76/537018976.db2.gz YETNIGDIPFRDCD-HNNXBMFYSA-N 1 3 351.466 1.770 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)N(C)C)cc1 ZINC000891246572 774089393 /nfs/dbraw/zinc/08/93/93/774089393.db2.gz PMVVYVFIRWMHLB-HXUWFJFHSA-N 1 3 374.529 1.582 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000899104175 845777444 /nfs/dbraw/zinc/77/74/44/845777444.db2.gz QHZVWPLADLCGET-LJQANCHMSA-N 1 3 359.518 1.916 20 10 FDCDHO CN(C)c1ccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000899104175 845777447 /nfs/dbraw/zinc/77/74/47/845777447.db2.gz QHZVWPLADLCGET-LJQANCHMSA-N 1 3 359.518 1.916 20 10 FDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2OCCNC3)cc1 ZINC000911667971 858880927 /nfs/dbraw/zinc/88/09/27/858880927.db2.gz VQYBMICQNZYTSO-GOSISDBHSA-N 1 3 354.454 1.664 20 10 FDCDHO COc1ccc(Br)c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205240848 909568185 /nfs/dbraw/zinc/56/81/85/909568185.db2.gz OQCLZYNKEWRQAC-OAHLLOKOSA-N 1 3 359.264 1.839 20 10 FDCDHO COc1ccc(Br)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205240848 909568191 /nfs/dbraw/zinc/56/81/91/909568191.db2.gz OQCLZYNKEWRQAC-OAHLLOKOSA-N 1 3 359.264 1.839 20 10 FDCDHO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1OC ZINC000371357861 990379224 /nfs/dbraw/zinc/37/92/24/990379224.db2.gz RULXNBOKGSMFAF-NVXWUHKLSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1OC ZINC000371357861 990379230 /nfs/dbraw/zinc/37/92/30/990379230.db2.gz RULXNBOKGSMFAF-NVXWUHKLSA-N 1 3 363.502 1.867 20 10 FDCDHO COc1cc(O)c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1OC ZINC000371357861 990379234 /nfs/dbraw/zinc/37/92/34/990379234.db2.gz RULXNBOKGSMFAF-NVXWUHKLSA-N 1 3 363.502 1.867 20 10 FDCDHO CCN1CCN(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877146234 993069850 /nfs/dbraw/zinc/06/98/50/993069850.db2.gz UXFISFIEMQYFQK-UHFFFAOYSA-N 1 3 360.546 1.765 20 10 FDCDHO CN(C)C[C@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc2O1 ZINC000592961255 552049353 /nfs/dbraw/zinc/04/93/53/552049353.db2.gz JTPLXOQVFJAYTI-CABCVRRESA-N 1 3 369.469 1.689 20 10 FDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2OCCNC3)cc1 ZINC000911667972 858881081 /nfs/dbraw/zinc/88/10/81/858881081.db2.gz VQYBMICQNZYTSO-SFHVURJKSA-N 1 3 354.454 1.664 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)CN[C@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300378 888786824 /nfs/dbraw/zinc/78/68/24/888786824.db2.gz QSCXMBWBNYBLIK-AZUAARDMSA-N 1 3 364.534 1.141 20 10 FDCDHO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@](C)(CN)C(C)C)CC2)cc1 ZINC000923300378 888786835 /nfs/dbraw/zinc/78/68/35/888786835.db2.gz QSCXMBWBNYBLIK-AZUAARDMSA-N 1 3 364.534 1.141 20 10 FDCDHO COc1ccc(N2CCN(CCCN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925517153 995637256 /nfs/dbraw/zinc/63/72/56/995637256.db2.gz FTODYMSJYMKHHJ-BVKOHWRASA-N 1 3 370.541 1.793 20 10 FDCDHO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370705041 538091239 /nfs/dbraw/zinc/09/12/39/538091239.db2.gz DHZVAZTXGZNNJS-UGKGYDQZSA-N 1 3 372.557 1.981 20 10 FDCDHO