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@@H]2CCCN(C3CC3)C2=O)N(C)C)cc1 ZINC000891243513 774057956 /nfs/dbraw/zinc/05/79/56/774057956.db2.gz PCTQYOAZWNJNSD-RBUKOAKNSA-N 0 3 372.513 1.873 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccncc2)N(C)C)cc1 ZINC000891247117 774092097 /nfs/dbraw/zinc/09/20/97/774092097.db2.gz FDVPABJGGKNMQQ-SFHVURJKSA-N 0 3 369.469 1.297 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2nccn3ccnc23)N(C)C)cc1 ZINC000891247879 774099017 /nfs/dbraw/zinc/09/90/17/774099017.db2.gz LCFHFQIRUIIKRE-INIZCTEOSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000891254602 774147698 /nfs/dbraw/zinc/14/76/98/774147698.db2.gz ZMUTXXIEYASMSJ-KXBFYZLASA-N 0 3 355.486 2.000 20 10 FDCDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256832 774165820 /nfs/dbraw/zinc/16/58/20/774165820.db2.gz AAZXOZGZXDZKBD-INIZCTEOSA-N 0 3 374.445 1.585 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2)N(C)C)cc1 ZINC000891258671 774189127 /nfs/dbraw/zinc/18/91/27/774189127.db2.gz YYIIQSQUXFGHRM-IBGZPJMESA-N 0 3 368.481 1.902 20 10 FDCDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000276232413 776903480 /nfs/dbraw/zinc/90/34/80/776903480.db2.gz KSBBRSKTWLWCKJ-FQEVSTJZSA-N 0 3 372.513 1.846 20 10 FDCDHN CCn1nccc1N1CCC[C@@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000276606435 778376288 /nfs/dbraw/zinc/37/62/88/778376288.db2.gz HPSCDHWBGMLNMO-CYBMUJFWSA-N 0 3 358.398 1.623 20 10 FDCDHN COc1cccc(C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000378353249 793999630 /nfs/dbraw/zinc/99/96/30/793999630.db2.gz YRCPWLXTTZLMGK-UHFFFAOYSA-N 0 3 361.486 1.919 20 10 FDCDHN COc1cccc(C[N@@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000378353249 793999633 /nfs/dbraw/zinc/99/96/33/793999633.db2.gz YRCPWLXTTZLMGK-UHFFFAOYSA-N 0 3 361.486 1.919 20 10 FDCDHN C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1cc(F)ccc1[O-] ZINC000363854030 794264504 /nfs/dbraw/zinc/26/45/04/794264504.db2.gz LPQCWZFLCPQGSQ-PBHICJAKSA-N 0 3 365.449 1.505 20 10 FDCDHN O=C(NCCCSc1nccs1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893646816 808586293 /nfs/dbraw/zinc/58/62/93/808586293.db2.gz WFPQPPCLJOTPKM-KBPBESRZSA-N 0 3 370.544 1.866 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)N(C)C)cc1 ZINC000893717656 809396322 /nfs/dbraw/zinc/39/63/22/809396322.db2.gz WJFVHYPFJJFMER-APWZRJJASA-N 0 3 370.501 1.935 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2ccn(C)n2)N(C)C)cc1 ZINC000894206211 810988417 /nfs/dbraw/zinc/98/84/17/810988417.db2.gz KZOHZAJUFZAVPE-GOSISDBHSA-N 0 3 358.490 1.631 20 10 FDCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000280108778 811721535 /nfs/dbraw/zinc/72/15/35/811721535.db2.gz NNYUZCQPLFQLFC-AEFFLSMTSA-N 0 3 361.486 1.674 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NOC[C@H]2CCOC2)N(C)C)cc1 ZINC000894372515 817833098 /nfs/dbraw/zinc/83/30/98/817833098.db2.gz KIUWCJVVMXCBGG-WMLDXEAASA-N 0 3 350.463 1.623 20 10 FDCDHN COC(=O)c1c(CNC[C@]2(O)CCO[C@@H]2C)c2cc(F)ccc2n1C ZINC000894595810 818236594 /nfs/dbraw/zinc/23/65/94/818236594.db2.gz RFSPRIOHXSCTSU-ADLMAVQZSA-N 0 3 350.390 1.734 20 10 FDCDHN COCCN(CCN(C)C)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000520449814 819698378 /nfs/dbraw/zinc/69/83/78/819698378.db2.gz WKIQGMUURRRNCX-UHFFFAOYSA-N 0 3 374.485 1.140 20 10 FDCDHN Cc1nc(CN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n[nH]1 ZINC000895268059 822354639 /nfs/dbraw/zinc/35/46/39/822354639.db2.gz ZMJGJHBCKMYIJF-UHFFFAOYSA-N 0 3 356.474 1.268 20 10 FDCDHN Cc1cc(Br)cc(CN2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897061689 826848108 /nfs/dbraw/zinc/84/81/08/826848108.db2.gz NFAZAGRIUYDQFJ-JTQLQIEISA-N 0 3 363.277 1.574 20 10 FDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@@H](C)CN1 ZINC000841722364 835229046 /nfs/dbraw/zinc/22/90/46/835229046.db2.gz MXHWMGBVIZGFRO-HLLBOEOZSA-N 0 3 373.501 1.280 20 10 FDCDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc2cc(O)c(O)cc2s1 ZINC000897876071 840529742 /nfs/dbraw/zinc/52/97/42/840529742.db2.gz KFFCVWBOQPUMIT-LBPRGKRZSA-N 0 3 350.440 1.889 20 10 FDCDHN COC[C@H]1C[C@@H](O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097721 845761388 /nfs/dbraw/zinc/76/13/88/845761388.db2.gz FXVFPWNIPQUBOS-KZNAEPCWSA-N 0 3 364.490 1.147 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000842233324 845774387 /nfs/dbraw/zinc/77/43/87/845774387.db2.gz QLYWSKBXFDWHTO-IBGZPJMESA-N 0 3 368.481 1.917 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cncnc2N)N(C)C)cc1 ZINC000899104714 845778456 /nfs/dbraw/zinc/77/84/56/845778456.db2.gz SKRNZDPUVJGBIC-INIZCTEOSA-N 0 3 357.462 1.227 20 10 FDCDHN CC(C)[C@H](CO)ONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099086 845793771 /nfs/dbraw/zinc/79/37/71/845793771.db2.gz VELQUTSMZMHLSC-SJORKVTESA-N 0 3 352.479 1.603 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=S)NC2CCOCC2)N(C)C)cc1 ZINC000899724081 846625884 /nfs/dbraw/zinc/62/58/84/846625884.db2.gz JOCBPHKPJDYGOV-QGZVFWFLSA-N 0 3 350.532 1.998 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=S)NC[C@H]2CCCO2)N(C)C)cc1 ZINC000899724098 846625925 /nfs/dbraw/zinc/62/59/25/846625925.db2.gz JYMFCTVZNCVROQ-IAGOWNOFSA-N 0 3 350.532 1.998 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911125987 858181328 /nfs/dbraw/zinc/18/13/28/858181328.db2.gz SCVHZWGMGWPXNC-RTBURBONSA-N 0 3 366.465 1.418 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912876719 860952941 /nfs/dbraw/zinc/95/29/41/860952941.db2.gz MNYCLTBIKNTBFZ-UHFFFAOYSA-N 0 3 353.444 1.074 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000916633026 881857232 /nfs/dbraw/zinc/85/72/32/881857232.db2.gz FLTOWHKDHJEOCZ-GBESFXJTSA-N 0 3 365.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000916633026 881857254 /nfs/dbraw/zinc/85/72/54/881857254.db2.gz FLTOWHKDHJEOCZ-GBESFXJTSA-N 0 3 365.470 1.930 20 10 FDCDHN Cc1cc(C(=O)NCCN(C)CCOCCO)c(C)n1-c1ccccn1 ZINC000922124400 872249246 /nfs/dbraw/zinc/24/92/46/872249246.db2.gz YKJSEANECYCITM-UHFFFAOYSA-N 0 3 360.458 1.160 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4nn[nH]c43)cc2)CC1 ZINC000918847051 884967482 /nfs/dbraw/zinc/96/74/82/884967482.db2.gz XBWHANKDGXIXHR-MRXNPFEDSA-N 0 3 354.458 1.293 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[NH+]1CCCCC1 ZINC000920458273 886950967 /nfs/dbraw/zinc/95/09/67/886950967.db2.gz FWNBOYSSHGJYJF-LBPRGKRZSA-N 0 3 355.460 1.368 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccnn2C)c1[O-] ZINC000922972043 887635214 /nfs/dbraw/zinc/63/52/14/887635214.db2.gz DLHMNQOWBXVAED-LBPRGKRZSA-N 0 3 356.220 1.720 20 10 FDCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785424560 902710675 /nfs/dbraw/zinc/71/06/75/902710675.db2.gz PVNJRUVWVIYAMI-QGZVFWFLSA-N 0 3 360.502 1.750 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000732064375 918977820 /nfs/dbraw/zinc/97/78/20/918977820.db2.gz KABYNWFGQJJZEW-IBGZPJMESA-N 0 3 362.518 1.520 20 10 FDCDHN Cn1ccnc(N2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)c1=O ZINC000744439433 926686496 /nfs/dbraw/zinc/68/64/96/926686496.db2.gz BVRUERDHBJHUGE-UHFFFAOYSA-N 0 3 351.410 1.356 20 10 FDCDHN O=S1(=O)CCC(O)(CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000767426897 929275426 /nfs/dbraw/zinc/27/54/26/929275426.db2.gz VKARUPOKAKCPQF-INIZCTEOSA-N 0 3 369.483 1.313 20 10 FDCDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290066 940304049 /nfs/dbraw/zinc/30/40/49/940304049.db2.gz CPNHBJPJLFBTTB-SFHVURJKSA-N 0 3 356.470 1.280 20 10 FDCDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCCSc1nccs1 ZINC000817822869 943028233 /nfs/dbraw/zinc/02/82/33/943028233.db2.gz JCMTWTUEABKGSJ-GFCCVEGCSA-N 0 3 356.517 1.294 20 10 FDCDHN CCc1noc(C[C@]2(O)CCCN(Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000856593644 971242291 /nfs/dbraw/zinc/24/22/91/971242291.db2.gz VQXIQFNLKOJKED-GOSISDBHSA-N 0 3 361.398 1.636 20 10 FDCDHN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cc(O)cc2O)C[C@@H](O)C1 ZINC001144503873 949715343 /nfs/dbraw/zinc/71/53/43/949715343.db2.gz GTSVSXVASUNYPR-GFCCVEGCSA-N 0 3 354.403 1.217 20 10 FDCDHN O=C(CN1C(=O)CSC1=S)NC[C@H](c1ccccc1)N1CCCC1 ZINC001144848245 951208805 /nfs/dbraw/zinc/20/88/05/951208805.db2.gz IMDVRZRTXSGNGI-CQSZACIVSA-N 0 3 363.508 1.800 20 10 FDCDHN C[C@H]1COCCN1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000846911874 951712672 /nfs/dbraw/zinc/71/26/72/951712672.db2.gz KUVWWRKHWDBYKP-KRWDZBQOSA-N 0 3 374.529 1.554 20 10 FDCDHN CC1(C)[C@H](O)C[C@H]1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846962529 951734518 /nfs/dbraw/zinc/73/45/18/951734518.db2.gz UAZNLSMYEUQSOQ-IAGOWNOFSA-N 0 3 365.449 1.028 20 10 FDCDHN CC(C)(C)N(C(=O)c1cc(O)c([O-])c(O)c1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001148582846 952757613 /nfs/dbraw/zinc/75/76/13/952757613.db2.gz NHUAEINUYUASKL-ZDUSSCGKSA-N 0 3 364.442 1.955 20 10 FDCDHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093241056 957821300 /nfs/dbraw/zinc/82/13/00/957821300.db2.gz VLMSFEYEAJDOTD-NTZNESFSSA-N 0 3 360.418 1.021 20 10 FDCDHN C[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775259417 967024486 /nfs/dbraw/zinc/02/44/86/967024486.db2.gz SHGQVJSYDHKIMF-AWEZNQCLSA-N 0 3 362.474 1.798 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C)[C@@H]1CCO)cc2=O ZINC000852458657 967340290 /nfs/dbraw/zinc/34/02/90/967340290.db2.gz JOKDOVSNSOONOU-WFASDCNBSA-N 0 3 362.430 1.595 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H]4COC[C@H]4C3)CC2)cc1 ZINC000852668718 967519988 /nfs/dbraw/zinc/51/99/88/967519988.db2.gz GFQIPBTXIRHITH-DLBZAZTESA-N 0 3 359.470 1.312 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000775370530 967699275 /nfs/dbraw/zinc/69/92/75/967699275.db2.gz VWLJCARCUHEYEI-ZDUSSCGKSA-N 0 3 361.442 1.132 20 10 FDCDHN CCn1nccc1CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000853135104 967851643 /nfs/dbraw/zinc/85/16/43/967851643.db2.gz ZFHZDKPCNVVGRO-IBGZPJMESA-N 0 3 373.501 1.184 20 10 FDCDHN CCN1CCN(CCC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000855230650 970225890 /nfs/dbraw/zinc/22/58/90/970225890.db2.gz GVXJLOOEFPXRCO-QGZVFWFLSA-N 0 3 360.502 1.418 20 10 FDCDHN C[C@@H](NCC(=O)NCC(C)(C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000775834983 972956784 /nfs/dbraw/zinc/95/67/84/972956784.db2.gz XNVNPIGXQGFEJR-MRXNPFEDSA-N 0 3 362.518 1.630 20 10 FDCDHN CC(C)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@@H](C)O ZINC000107042699 975978925 /nfs/dbraw/zinc/97/89/25/975978925.db2.gz GJMKBWWLCRKHQK-OAHLLOKOSA-N 0 3 367.465 1.370 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000848554927 976902654 /nfs/dbraw/zinc/90/26/54/976902654.db2.gz GPWCLAPNSPRGSN-KCJUWKMLSA-N 0 3 371.231 1.961 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848929387 977241493 /nfs/dbraw/zinc/24/14/93/977241493.db2.gz FZLSYUILZXKGLD-QZTJIDSGSA-N 0 3 358.486 1.502 20 10 FDCDHN COc1cccc(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1O ZINC000849563237 977754417 /nfs/dbraw/zinc/75/44/17/977754417.db2.gz JEHYWNJIAPVJNB-JKSUJKDBSA-N 0 3 358.442 1.486 20 10 FDCDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852126548 979368862 /nfs/dbraw/zinc/36/88/62/979368862.db2.gz CWQRWRIDTMQHTM-JKSUJKDBSA-N 0 3 362.474 1.294 20 10 FDCDHN COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1-c1nnn[n-]1 ZINC000826181046 979404363 /nfs/dbraw/zinc/40/43/63/979404363.db2.gz JAVVQZCKSMNKEJ-UHFFFAOYSA-N 0 3 371.397 1.888 20 10 FDCDHN COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1-c1nn[n-]n1 ZINC000826181046 979404369 /nfs/dbraw/zinc/40/43/69/979404369.db2.gz JAVVQZCKSMNKEJ-UHFFFAOYSA-N 0 3 371.397 1.888 20 10 FDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000862551319 984409997 /nfs/dbraw/zinc/40/99/97/984409997.db2.gz MJQJUIGJBXCEHX-QGZVFWFLSA-N 0 3 367.515 1.284 20 10 FDCDHN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000364917967 989889028 /nfs/dbraw/zinc/88/90/28/989889028.db2.gz ZFDGQQJQVAOQPL-GFCCVEGCSA-N 0 3 372.425 1.925 20 10 FDCDHN CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCC1(C)C ZINC000875088299 990870167 /nfs/dbraw/zinc/87/01/67/990870167.db2.gz ZAQZEDUFXMYQEZ-UHFFFAOYSA-N 0 3 372.513 1.846 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875300736 991281186 /nfs/dbraw/zinc/28/11/86/991281186.db2.gz DBJKOOYXOAVKAH-UHFFFAOYSA-N 0 3 373.545 1.982 20 10 FDCDHN COc1ccc(N2CCN(CC(C)(C)N3CCOCC3)CC2)c(OC)c1 ZINC000877708442 993459614 /nfs/dbraw/zinc/45/96/14/993459614.db2.gz MGOFNAVEHBXPQV-UHFFFAOYSA-N 0 3 363.502 1.937 20 10 FDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000888003088 998014582 /nfs/dbraw/zinc/01/45/82/998014582.db2.gz FDWXOMCWSSXSOO-ZDUSSCGKSA-N 0 3 365.453 1.153 20 10 FDCDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2cccc(OC)c2O)CC1 ZINC000266826147 999240744 /nfs/dbraw/zinc/24/07/44/999240744.db2.gz RVZKIFVLEVBKES-HNNXBMFYSA-N 0 3 364.490 1.474 20 10 FDCDHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269278018 999466619 /nfs/dbraw/zinc/46/66/19/999466619.db2.gz YQERDGZCTKIGLY-CZUORRHYSA-N 0 3 369.412 1.752 20 10 FDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCN(C)CCCOC ZINC000288093173 999988143 /nfs/dbraw/zinc/98/81/43/999988143.db2.gz IBXIYWZNCQHGPL-UHFFFAOYSA-N 0 3 365.474 1.215 20 10 FDCDHN Cc1occc1CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929700287 1002360663 /nfs/dbraw/zinc/36/06/63/1002360663.db2.gz ZIRHYEVVXDXRGQ-SFHVURJKSA-N 0 3 372.469 1.689 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC4(C3)CCOCC4)CC2)cc1 ZINC000076158419 523030892 /nfs/dbraw/zinc/03/08/92/523030892.db2.gz OOCDLZUYPDTMCH-UHFFFAOYSA-N 0 3 373.497 1.846 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCN(C3CC3)CC1)cc2=O ZINC000172347803 524205427 /nfs/dbraw/zinc/20/54/27/524205427.db2.gz OMTPDKBIAXDICD-UHFFFAOYSA-N 0 3 359.430 1.282 20 10 FDCDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000111373211 524276666 /nfs/dbraw/zinc/27/66/66/524276666.db2.gz WEAIEZWWDIOSPT-KXBFYZLASA-N 0 3 369.469 1.713 20 10 FDCDHN CC(C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)S(C)(=O)=O ZINC000114683674 524850511 /nfs/dbraw/zinc/85/05/11/524850511.db2.gz ZGMFCJLETJFTJF-RHSMWYFYSA-N 0 3 368.499 1.693 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3C[C@H](C)O)CC2)cc1 ZINC000152549572 524924008 /nfs/dbraw/zinc/92/40/08/524924008.db2.gz WRSMRNWGVSJYMC-FUHWJXTLSA-N 0 3 361.486 1.579 20 10 FDCDHN C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000183461592 535984769 /nfs/dbraw/zinc/98/47/69/535984769.db2.gz OXOFXXMLPJGJTN-GFCCVEGCSA-N 0 3 365.411 1.930 20 10 FDCDHN COC(=O)/C=C/c1ccc(N2CCCN([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364955032 537402089 /nfs/dbraw/zinc/40/20/89/537402089.db2.gz NPKFKTVSLCJUGV-HZRUHFOJSA-N 0 3 363.414 1.674 20 10 FDCDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000288426142 537498667 /nfs/dbraw/zinc/49/86/67/537498667.db2.gz DDUFKTYRFASXDC-QFBILLFUSA-N 0 3 370.497 1.620 20 10 FDCDHN CC(C)C[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000299516354 537592488 /nfs/dbraw/zinc/59/24/88/537592488.db2.gz VUIJXFRQAJHANA-UHFFFAOYSA-N 0 3 369.487 1.614 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)cc1F ZINC000237266057 537620272 /nfs/dbraw/zinc/62/02/72/537620272.db2.gz VJNMBQJGWFJWKV-OAHLLOKOSA-N 0 3 351.422 1.252 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COCC(F)(F)F ZINC000292629840 537750020 /nfs/dbraw/zinc/75/00/20/537750020.db2.gz NNGQFDYYVYYBMZ-INIZCTEOSA-N 0 3 362.392 1.895 20 10 FDCDHN Cc1ccc(O)c(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000368016124 537971817 /nfs/dbraw/zinc/97/18/17/537971817.db2.gz BKRRIDMLGQOXNQ-MRXNPFEDSA-N 0 3 354.472 1.327 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000583954364 551426004 /nfs/dbraw/zinc/42/60/04/551426004.db2.gz BVZNNVXYPQGZOK-INIZCTEOSA-N 0 3 368.481 1.800 20 10 FDCDHN COc1cccc(CNCc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000276689915 674751669 /nfs/dbraw/zinc/75/16/69/674751669.db2.gz KGPYMJUPMHNRNZ-UHFFFAOYSA-N 0 3 351.424 1.457 20 10 FDCDHN COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278349394 675125236 /nfs/dbraw/zinc/12/52/36/675125236.db2.gz MOOYXKWSSNOIGP-CGTJXYLNSA-N 0 3 353.459 1.786 20 10 FDCDHN COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278349394 675125240 /nfs/dbraw/zinc/12/52/40/675125240.db2.gz MOOYXKWSSNOIGP-CGTJXYLNSA-N 0 3 353.459 1.786 20 10 FDCDHN O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cc(Cl)ccc3[O-])CC2)C1 ZINC000372811380 677978283 /nfs/dbraw/zinc/97/82/83/677978283.db2.gz FBWIGMDZPMRRRD-OAHLLOKOSA-N 0 3 358.891 1.787 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(N)=O)n2)N(C)C)cc1 ZINC000891246389 774087430 /nfs/dbraw/zinc/08/74/30/774087430.db2.gz BYBXJEGWDFFQTH-KRWDZBQOSA-N 0 3 355.442 1.279 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C2/SCC(=O)N2C)N(C)C)cc1 ZINC000891247339 774093244 /nfs/dbraw/zinc/09/32/44/774093244.db2.gz UGPAQWSWWCPBAA-ZNBBLSJYSA-N 0 3 362.499 1.518 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2CC(N)=O)N(C)C)cc1 ZINC000891248445 774097537 /nfs/dbraw/zinc/09/75/37/774097537.db2.gz MPMNQTDVEMYCBI-MRXNPFEDSA-N 0 3 358.442 1.406 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)N(C)C)cc1 ZINC000891249430 774107522 /nfs/dbraw/zinc/10/75/22/774107522.db2.gz QVSBGGNUAHHDDZ-SJLPKXTDSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(N)=O)s2)N(C)C)cc1 ZINC000891255207 774154812 /nfs/dbraw/zinc/15/48/12/774154812.db2.gz NTKSIJAUPPJBKY-AWEZNQCLSA-N 0 3 360.483 1.946 20 10 FDCDHN COC[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC000894102669 810002121 /nfs/dbraw/zinc/00/21/21/810002121.db2.gz PJNPHHIQDWEUFL-IRXDYDNUSA-N 0 3 352.479 1.316 20 10 FDCDHN CN1CCN(CCCCNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000728947996 810592095 /nfs/dbraw/zinc/59/20/95/810592095.db2.gz IQVMWMRHLJCSFO-UHFFFAOYSA-N 0 3 373.545 1.896 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCN2CCCC2=O)N(C)C)cc1 ZINC000895560451 822652036 /nfs/dbraw/zinc/65/20/36/822652036.db2.gz ZRCNOKCLBGPTHM-KRWDZBQOSA-N 0 3 361.490 1.277 20 10 FDCDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000895673066 822698079 /nfs/dbraw/zinc/69/80/79/822698079.db2.gz FDCBKAIZPRSUJH-LBPRGKRZSA-N 0 3 358.460 1.171 20 10 FDCDHN Cc1cc(Br)cc(CN2CCC(O)(COCCO)CC2)c1O ZINC000895829543 822762381 /nfs/dbraw/zinc/76/23/81/822762381.db2.gz JUJVXJXUVVKTBS-UHFFFAOYSA-N 0 3 374.275 1.799 20 10 FDCDHN Cc1cc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000896653527 824771791 /nfs/dbraw/zinc/77/17/91/824771791.db2.gz DLWRHOZUINXUFT-IBGZPJMESA-N 0 3 372.517 1.939 20 10 FDCDHN Cc1ccc(CNCC(=O)NCC(=O)N(C)Cc2ccccc2)c(O)c1 ZINC000896884847 825576661 /nfs/dbraw/zinc/57/66/61/825576661.db2.gz BANFIOWDCVWFEM-UHFFFAOYSA-N 0 3 355.438 1.565 20 10 FDCDHN O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)nc[n-]1 ZINC000898159106 840840095 /nfs/dbraw/zinc/84/00/95/840840095.db2.gz NUXUUGLSYONCMM-MRXNPFEDSA-N 0 3 355.442 1.387 20 10 FDCDHN COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1ccc(C)cc1[O-])CCS2(=O)=O ZINC000898481331 844747601 /nfs/dbraw/zinc/74/76/01/844747601.db2.gz JPNGQNROQPBEHF-SWKXRBFHSA-N 0 3 367.467 1.689 20 10 FDCDHN COc1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1Cn1cccn1 ZINC000922636922 878865899 /nfs/dbraw/zinc/86/58/99/878865899.db2.gz WFFZIEVHSLDSNQ-UHFFFAOYSA-N 0 3 366.487 1.357 20 10 FDCDHN Cc1nc(SCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)n[nH]1 ZINC000918861062 884974239 /nfs/dbraw/zinc/97/42/39/884974239.db2.gz IBQRIURKNLYKIS-UHFFFAOYSA-N 0 3 374.514 1.664 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000186122100 902060802 /nfs/dbraw/zinc/06/08/02/902060802.db2.gz XWIJARGSAAFBBA-LSDHHAIUSA-N 0 3 364.490 1.787 20 10 FDCDHN COc1cccc(O)c1CNCCNS(=O)(=O)Cc1ccccc1 ZINC000731450404 918056319 /nfs/dbraw/zinc/05/63/19/918056319.db2.gz OBAKJAQQDBGCGO-UHFFFAOYSA-N 0 3 350.440 1.610 20 10 FDCDHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000732293445 919374163 /nfs/dbraw/zinc/37/41/63/919374163.db2.gz JOBYOQOYXLLXHA-CYBMUJFWSA-N 0 3 355.460 1.368 20 10 FDCDHN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000732293445 919374178 /nfs/dbraw/zinc/37/41/78/919374178.db2.gz JOBYOQOYXLLXHA-CYBMUJFWSA-N 0 3 355.460 1.368 20 10 FDCDHN CCN1C[C@H](C)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000766254888 925399184 /nfs/dbraw/zinc/39/91/84/925399184.db2.gz UAUSLHAHVIHCOJ-ROUUACIJSA-N 0 3 374.529 1.758 20 10 FDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cc2)C1 ZINC000787110331 932165947 /nfs/dbraw/zinc/16/59/47/932165947.db2.gz GZMMALKWANLEHA-APWZRJJASA-N 0 3 370.497 1.631 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NCCN1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000787663248 932361097 /nfs/dbraw/zinc/36/10/97/932361097.db2.gz CXAQGUQVLXESCU-MRXNPFEDSA-N 0 3 360.502 1.778 20 10 FDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000787752426 932387517 /nfs/dbraw/zinc/38/75/17/932387517.db2.gz UMSMRVRWPQMGFY-INIZCTEOSA-N 0 3 372.513 1.676 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000788912442 932876546 /nfs/dbraw/zinc/87/65/46/932876546.db2.gz TVEVAARDTQDEQI-SFHVURJKSA-N 0 3 370.497 1.504 20 10 FDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804732730 938557992 /nfs/dbraw/zinc/55/79/92/938557992.db2.gz YBZCUNLCBSXMIH-KRWDZBQOSA-N 0 3 359.470 1.731 20 10 FDCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c2c1c(F)ccc2[O-] ZINC000806169292 938898794 /nfs/dbraw/zinc/89/87/94/938898794.db2.gz DINSVNAOWLJHMH-BZPMIXESSA-N 0 3 371.478 1.940 20 10 FDCDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000817811563 942964440 /nfs/dbraw/zinc/96/44/40/942964440.db2.gz LRTWRUBZTNLURY-QGZVFWFLSA-N 0 3 358.486 1.238 20 10 FDCDHN C[C@H](NCC(=O)N1CCNCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817945832 943090466 /nfs/dbraw/zinc/09/04/66/943090466.db2.gz NCHQIFSHGXELJM-AWEZNQCLSA-N 0 3 366.893 1.259 20 10 FDCDHN CCN1CCN(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000856211419 970984856 /nfs/dbraw/zinc/98/48/56/970984856.db2.gz PBHGZBMSHRWAGP-UHFFFAOYSA-N 0 3 374.529 1.292 20 10 FDCDHN CN(C)c1ncc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1C ZINC000822470378 945014965 /nfs/dbraw/zinc/01/49/65/945014965.db2.gz NZGCQSFJPQOSSC-INIZCTEOSA-N 0 3 370.501 1.478 20 10 FDCDHN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCN2CCC1CC2 ZINC000823530559 945803577 /nfs/dbraw/zinc/80/35/77/945803577.db2.gz IHBGFLUYBYUXOU-UHFFFAOYSA-N 0 3 358.486 1.637 20 10 FDCDHN CC1(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CNC1 ZINC000844177548 947819368 /nfs/dbraw/zinc/81/93/68/947819368.db2.gz DDBRPBFPALOMGT-UHFFFAOYSA-N 0 3 369.412 1.752 20 10 FDCDHN Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000844218967 947845943 /nfs/dbraw/zinc/84/59/43/947845943.db2.gz GPPFAPMGFYWTHF-UHFFFAOYSA-N 0 3 355.486 1.990 20 10 FDCDHN CN(CC[NH+]1CCCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846613080 951375853 /nfs/dbraw/zinc/37/58/53/951375853.db2.gz APFNTSJRKHKZFA-UHFFFAOYSA-N 0 3 355.460 1.322 20 10 FDCDHN C[C@@H](NCC(=O)N1CCN(c2cnccn2)CC1)c1ccc(N(C)C)cc1 ZINC000772950622 951467221 /nfs/dbraw/zinc/46/72/21/951467221.db2.gz OAAGFJXWGMLYAA-MRXNPFEDSA-N 0 3 368.485 1.542 20 10 FDCDHN CC(C)N(CCS(C)(=O)=O)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775726839 971789106 /nfs/dbraw/zinc/78/91/06/971789106.db2.gz YLDXIPMKXUZCCD-UHFFFAOYSA-N 0 3 353.532 1.693 20 10 FDCDHN O=C(c1cccc(O)c1[O-])N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001148213492 952648214 /nfs/dbraw/zinc/64/82/14/952648214.db2.gz CXBJWVMWUMTOJW-OHNRDTAOSA-N 0 3 369.421 1.907 20 10 FDCDHN COc1ccc(N2CCN([C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)c(OC)c1 ZINC001172187520 961508163 /nfs/dbraw/zinc/50/81/63/961508163.db2.gz YQPYNLUAWBILPC-CVEARBPZSA-N 0 3 359.470 1.979 20 10 FDCDHN COc1ccc(N2CCN([C@H]3CCN4C(=O)CC[C@H]4C3)CC2)c(OC)c1 ZINC001172187521 961509134 /nfs/dbraw/zinc/50/91/34/961509134.db2.gz YQPYNLUAWBILPC-HOTGVXAUSA-N 0 3 359.470 1.979 20 10 FDCDHN CNC(=O)[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC001178482981 964257441 /nfs/dbraw/zinc/25/74/41/964257441.db2.gz OJGVFECPDKTNBV-HXUWFJFHSA-N 0 3 353.466 1.970 20 10 FDCDHN C[C@@H](NCC(=O)N(C)Cc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000775253945 966986302 /nfs/dbraw/zinc/98/63/02/966986302.db2.gz CSUCXJPYJUORNC-MRXNPFEDSA-N 0 3 371.485 1.566 20 10 FDCDHN C[C@@H](NCC(=O)NCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000775261479 967008236 /nfs/dbraw/zinc/00/82/36/967008236.db2.gz VJQVHIUPMWTCFZ-MRXNPFEDSA-N 0 3 354.454 1.885 20 10 FDCDHN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc2c1CNC2 ZINC000852794057 967612208 /nfs/dbraw/zinc/61/22/08/967612208.db2.gz KRWYNUOQLATYTG-UHFFFAOYSA-N 0 3 371.462 1.777 20 10 FDCDHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775374468 967754351 /nfs/dbraw/zinc/75/43/51/967754351.db2.gz CAQDTADCWQSWAJ-CJNGLKHVSA-N 0 3 364.442 1.996 20 10 FDCDHN Cc1cnc(OC2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)nc1 ZINC000848492818 976838065 /nfs/dbraw/zinc/83/80/65/976838065.db2.gz CDMLPQHRSRCMEH-KRWDZBQOSA-N 0 3 357.410 1.960 20 10 FDCDHN Cc1cnc(OC2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)nc1 ZINC000848492818 976838078 /nfs/dbraw/zinc/83/80/78/976838078.db2.gz CDMLPQHRSRCMEH-KRWDZBQOSA-N 0 3 357.410 1.960 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848940459 977268514 /nfs/dbraw/zinc/26/85/14/977268514.db2.gz YAICZTXCKYWXRF-RBUKOAKNSA-N 0 3 372.513 1.844 20 10 FDCDHN C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1O ZINC000868371161 977550943 /nfs/dbraw/zinc/55/09/43/977550943.db2.gz QZKDODGTEMEIAO-GOEBONIOSA-N 0 3 362.474 1.695 20 10 FDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849572198 977772665 /nfs/dbraw/zinc/77/26/65/977772665.db2.gz LKXFQSKNAMLLRL-XYPHTWIQSA-N 0 3 372.469 1.614 20 10 FDCDHN COc1cccc([O-])c1C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000776959279 981673122 /nfs/dbraw/zinc/67/31/22/981673122.db2.gz XQWAAKVNLDDTGF-UHFFFAOYSA-N 0 3 356.488 1.941 20 10 FDCDHN C[C@@H](O)CNc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC000882880233 981770531 /nfs/dbraw/zinc/77/05/31/981770531.db2.gz IOYWBWXVUUJUHO-OAHLLOKOSA-N 0 3 356.474 1.633 20 10 FDCDHN COc1ccc(CNCC[C@@H]2CCCS2(=O)=O)cc1Cn1cccn1 ZINC000883296643 982055222 /nfs/dbraw/zinc/05/52/22/982055222.db2.gz SFWUFAHZCGOUDP-KRWDZBQOSA-N 0 3 363.483 1.997 20 10 FDCDHN COc1cc(O)c(CN2CCC(N3C(=O)CCCC3=O)CC2)cc1OC ZINC000363766702 989431599 /nfs/dbraw/zinc/43/15/99/989431599.db2.gz HJGWKIARKGMSPE-UHFFFAOYSA-N 0 3 362.426 1.913 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@H](CO)C3)CC2)cc1 ZINC000374047648 992573269 /nfs/dbraw/zinc/57/32/69/992573269.db2.gz CVAVZZBTODEFKI-KRWDZBQOSA-N 0 3 361.486 1.438 20 10 FDCDHN Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000876997881 992999944 /nfs/dbraw/zinc/99/99/44/992999944.db2.gz JIDOFUXCIWBYEC-UHFFFAOYSA-N 0 3 355.442 1.319 20 10 FDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCN1C ZINC000924047124 994341278 /nfs/dbraw/zinc/34/12/78/994341278.db2.gz RGKQPMHAUXTOFN-KDOFPFPSSA-N 0 3 373.501 1.280 20 10 FDCDHN O=C1N[C@H](CN2CCCCC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000924687665 994932661 /nfs/dbraw/zinc/93/26/61/994932661.db2.gz XXXQAGQHWMNMMZ-GOSISDBHSA-N 0 3 354.454 1.969 20 10 FDCDHN CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706513 1001632497 /nfs/dbraw/zinc/63/24/97/1001632497.db2.gz VLNXXOUSEQLULD-KBPBESRZSA-N 0 3 363.433 1.480 20 10 FDCDHN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706513 1001632499 /nfs/dbraw/zinc/63/24/99/1001632499.db2.gz VLNXXOUSEQLULD-KBPBESRZSA-N 0 3 363.433 1.480 20 10 FDCDHN Fc1cc(CN2CCC[C@@H]2CN2CCOCC2)ccc1N1CCOCC1 ZINC000092218147 1007070557 /nfs/dbraw/zinc/07/05/57/1007070557.db2.gz IHOJLMKUURINCI-GOSISDBHSA-N 0 3 363.477 1.959 20 10 FDCDHN Cc1cc(C)c(O)c(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000779868993 1012091664 /nfs/dbraw/zinc/09/16/64/1012091664.db2.gz DCZJPRJMHDACDA-KRWDZBQOSA-N 0 3 368.499 1.635 20 10 FDCDHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000271356667 674336371 /nfs/dbraw/zinc/33/63/71/674336371.db2.gz IFYHXBPMTMBBOX-WFASDCNBSA-N 0 3 369.487 1.566 20 10 FDCDHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000271356667 674336373 /nfs/dbraw/zinc/33/63/73/674336373.db2.gz IFYHXBPMTMBBOX-WFASDCNBSA-N 0 3 369.487 1.566 20 10 FDCDHN COc1cccc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1O ZINC000074657266 522811058 /nfs/dbraw/zinc/81/10/58/522811058.db2.gz TXWBYCDZECPATL-CQSZACIVSA-N 0 3 350.463 1.084 20 10 FDCDHN CCOc1cccc(CN2CCCN(CC(=O)N3CCCC3)CC2)c1O ZINC000129295373 525639265 /nfs/dbraw/zinc/63/92/65/525639265.db2.gz FQVASDMUJYQCPV-UHFFFAOYSA-N 0 3 361.486 1.921 20 10 FDCDHN CN(C)C(=O)CN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000129373633 525647994 /nfs/dbraw/zinc/64/79/94/525647994.db2.gz QNQQOBCCQXKFDF-UHFFFAOYSA-N 0 3 360.502 1.119 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](N(C)C)C3)CC2)cc1 ZINC000109807744 526189235 /nfs/dbraw/zinc/18/92/35/526189235.db2.gz GDPNGJYWPMWFLP-SFHVURJKSA-N 0 3 360.502 1.370 20 10 FDCDHN C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000186020352 536223626 /nfs/dbraw/zinc/22/36/26/536223626.db2.gz VBGSTNICBMDWIK-GXTWGEPZSA-N 0 3 360.451 1.670 20 10 FDCDHN CN(C)c1ccc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000266557279 536902762 /nfs/dbraw/zinc/90/27/62/536902762.db2.gz JCAGCYXIFYTDST-SFHVURJKSA-N 0 3 359.430 1.883 20 10 FDCDHN Cc1ccc(S(=O)(=O)NCCNCc2cc3c(cc2O)OCO3)cc1 ZINC000263687188 537065763 /nfs/dbraw/zinc/06/57/63/537065763.db2.gz NXCLRNHTAAKHFA-UHFFFAOYSA-N 0 3 364.423 1.497 20 10 FDCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283525527 537380348 /nfs/dbraw/zinc/38/03/48/537380348.db2.gz OZHWZUCVZLFKIC-MSOLQXFVSA-N 0 3 358.486 1.454 20 10 FDCDHN C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H](F)CN3)cc2F)C[C@H](C)O1 ZINC000275563849 537557370 /nfs/dbraw/zinc/55/73/70/537557370.db2.gz WQWYDGGEICSDOB-LMRQPLJMSA-N 0 3 353.413 1.756 20 10 FDCDHN CN(C)c1ccc(CN(C(=O)C(=O)NC2CCN(C)CC2)C2CC2)cc1 ZINC000284831543 537592050 /nfs/dbraw/zinc/59/20/50/537592050.db2.gz MOVKEXANKJGCDZ-UHFFFAOYSA-N 0 3 358.486 1.454 20 10 FDCDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1Cc2cccc(F)c2O1 ZINC000237797312 537640929 /nfs/dbraw/zinc/64/09/29/537640929.db2.gz BKKYDZYJPJFHFF-SFHVURJKSA-N 0 3 373.403 1.994 20 10 FDCDHN C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)N(C)C1CC1 ZINC000285591114 537734886 /nfs/dbraw/zinc/73/48/86/537734886.db2.gz ASVICRKJVPRNTL-CQSZACIVSA-N 0 3 358.486 1.284 20 10 FDCDHN CC[C@H](C)N(C)CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285747870 537754980 /nfs/dbraw/zinc/75/49/80/537754980.db2.gz PPQGVCMRAVESMC-HNNXBMFYSA-N 0 3 360.502 1.532 20 10 FDCDHN CS[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000271998805 674404268 /nfs/dbraw/zinc/40/42/68/674404268.db2.gz HSBXKRKYRUGEKL-SJORKVTESA-N 0 3 350.532 1.346 20 10 FDCDHN CS[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1N(C)C ZINC000271998804 674404339 /nfs/dbraw/zinc/40/43/39/674404339.db2.gz HSBXKRKYRUGEKL-IRXDYDNUSA-N 0 3 350.532 1.346 20 10 FDCDHN COc1ccc(O)c(CNC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000077600086 671433094 /nfs/dbraw/zinc/43/30/94/671433094.db2.gz SLMJAQQLLSUBOB-UHFFFAOYSA-N 0 3 350.463 1.228 20 10 FDCDHN OCCN(CCOCC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000093319990 671521711 /nfs/dbraw/zinc/52/17/11/671521711.db2.gz GFHQKIBPEILIIG-UHFFFAOYSA-N 0 3 362.392 1.896 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264519630 672916350 /nfs/dbraw/zinc/91/63/50/672916350.db2.gz VZFBAUNIBRMEKO-CQSZACIVSA-N 0 3 367.471 1.464 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1[O-] ZINC000294864863 676398157 /nfs/dbraw/zinc/39/81/57/676398157.db2.gz UCTUMIAUYVGIMY-ZDUSSCGKSA-N 0 3 364.261 1.102 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(C(N)=O)cc2)N(C)C)cc1 ZINC000891247168 774092249 /nfs/dbraw/zinc/09/22/49/774092249.db2.gz GHQQKAAMRHIOLD-IBGZPJMESA-N 0 3 368.481 1.813 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3n[nH]nc3n2)N(C)C)cc1 ZINC000891247948 774099871 /nfs/dbraw/zinc/09/98/71/774099871.db2.gz IXBXXJFPVAHKJH-MRXNPFEDSA-N 0 3 353.430 1.452 20 10 FDCDHN Cc1cnc(COCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891249487 774108132 /nfs/dbraw/zinc/10/81/32/774108132.db2.gz QZUQJUJNIFEUIU-QGZVFWFLSA-N 0 3 360.458 1.985 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3c2nnn3C)N(C)C)cc1 ZINC000891249659 774109943 /nfs/dbraw/zinc/10/99/43/774109943.db2.gz RSISUOLFDUCFGA-MRXNPFEDSA-N 0 3 367.457 1.462 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000891254599 774147526 /nfs/dbraw/zinc/14/75/26/774147526.db2.gz ZMUTXXIEYASMSJ-HNAYVOBHSA-N 0 3 355.486 2.000 20 10 FDCDHN CC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254985 774152075 /nfs/dbraw/zinc/15/20/75/774152075.db2.gz LRYBNFMEVTUFKF-OALUTQOASA-N 0 3 360.502 1.873 20 10 FDCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)N1C(=O)CCC1=O ZINC000891256218 774162615 /nfs/dbraw/zinc/16/26/15/774162615.db2.gz VVLFBLBLFBOARW-CJNGLKHVSA-N 0 3 360.458 1.009 20 10 FDCDHN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891255270 774168173 /nfs/dbraw/zinc/16/81/73/774168173.db2.gz OCDWFMRRNCSNFE-IEBWSBKVSA-N 0 3 360.502 1.730 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCn2ccnc2)N(C)C)cc1 ZINC000891428902 777069020 /nfs/dbraw/zinc/06/90/20/777069020.db2.gz GTACGDOTCXDRGT-SFHVURJKSA-N 0 3 358.490 1.941 20 10 FDCDHN COC(=O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891516205 778187996 /nfs/dbraw/zinc/18/79/96/778187996.db2.gz GBFLHUMPVWAZPH-INIZCTEOSA-N 0 3 350.463 1.608 20 10 FDCDHN C[C@H](Cn1cccn1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891895378 780050906 /nfs/dbraw/zinc/05/09/06/780050906.db2.gz IJHRNPIPQHBZPW-QAPCUYQASA-N 0 3 358.490 1.940 20 10 FDCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377877598 792973697 /nfs/dbraw/zinc/97/36/97/792973697.db2.gz BZLXOGUIDXIVIE-JKSUJKDBSA-N 0 3 359.470 1.933 20 10 FDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000785298624 804867248 /nfs/dbraw/zinc/86/72/48/804867248.db2.gz XAXTWSKTUSMKLC-CYBMUJFWSA-N 0 3 371.437 1.845 20 10 FDCDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000729328640 811147573 /nfs/dbraw/zinc/14/75/73/811147573.db2.gz UTLLCCYSWSXYFJ-IEBWSBKVSA-N 0 3 372.513 1.879 20 10 FDCDHN COCCN(C)CCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894215429 811266277 /nfs/dbraw/zinc/26/62/77/811266277.db2.gz RKNIPEMLZIGQNX-UHFFFAOYSA-N 0 3 351.422 1.772 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@](C)(O)CC3)CC2)cc1 ZINC000280287774 811764062 /nfs/dbraw/zinc/76/40/62/811764062.db2.gz ZJGINEPATPRXST-HXUWFJFHSA-N 0 3 361.486 1.581 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419710750 812101370 /nfs/dbraw/zinc/10/13/70/812101370.db2.gz RBLUQNONJOHDQN-HIFRSBDPSA-N 0 3 372.469 1.332 20 10 FDCDHN Cc1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000894682787 818318144 /nfs/dbraw/zinc/31/81/44/818318144.db2.gz HGVRQNXCVZAGCV-SFHVURJKSA-N 0 3 358.490 1.897 20 10 FDCDHN CCc1nnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000895063600 819820257 /nfs/dbraw/zinc/82/02/57/819820257.db2.gz WXXYTSBDSZQASF-OAHLLOKOSA-N 0 3 359.478 1.535 20 10 FDCDHN COc1ccc(CNCC(=O)Nc2ccc3c(c2)OCCO3)c(O)c1OC ZINC000895655250 822686990 /nfs/dbraw/zinc/68/69/90/822686990.db2.gz QCSJCNNRPNLXMA-UHFFFAOYSA-N 0 3 374.393 1.909 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H]2CNC(=O)C2)N(C)C)cc1 ZINC000896689784 824796865 /nfs/dbraw/zinc/79/68/65/824796865.db2.gz IYOOWRFDAMPWOB-RHSMWYFYSA-N 0 3 361.490 1.181 20 10 FDCDHN COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])CCS2(=O)=O ZINC000898487402 844775753 /nfs/dbraw/zinc/77/57/53/844775753.db2.gz FBVRTJGHUAFZEX-KDJCLPLCSA-N 0 3 371.430 1.520 20 10 FDCDHN CO[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H]1OC ZINC000899103370 845776580 /nfs/dbraw/zinc/77/65/80/845776580.db2.gz KZOTWIJAIUTQPL-KURKYZTESA-N 0 3 364.490 1.411 20 10 FDCDHN COC[C@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100808 845797830 /nfs/dbraw/zinc/79/78/30/845797830.db2.gz DYWBKXLEMWCETF-FUHWJXTLSA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCn3ncnc3C2)N(C)C)cc1 ZINC000899100916 845798765 /nfs/dbraw/zinc/79/87/65/845798765.db2.gz CTGCEMAQGCLGOT-MRXNPFEDSA-N 0 3 357.462 1.172 20 10 FDCDHN C[NH+](C)C1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000913394350 861993513 /nfs/dbraw/zinc/99/35/13/861993513.db2.gz CVZVQKADHHTKSK-UHFFFAOYSA-N 0 3 355.460 1.320 20 10 FDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3cc4c(cc3O)OC[C@@H]4O)C2)nn1 ZINC000762457376 875947107 /nfs/dbraw/zinc/94/71/07/875947107.db2.gz BTGSXVMIEIFIEY-LRDDRELGSA-N 0 3 374.397 1.033 20 10 FDCDHN COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)nn1 ZINC000762457376 875947114 /nfs/dbraw/zinc/94/71/14/875947114.db2.gz BTGSXVMIEIFIEY-LRDDRELGSA-N 0 3 374.397 1.033 20 10 FDCDHN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)nn1 ZINC000762457376 875947115 /nfs/dbraw/zinc/94/71/15/875947115.db2.gz BTGSXVMIEIFIEY-LRDDRELGSA-N 0 3 374.397 1.033 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CCN(C)C2)cc1F ZINC000763049888 877685071 /nfs/dbraw/zinc/68/50/71/877685071.db2.gz JIWRJSLMBKCZGO-GOSISDBHSA-N 0 3 352.454 1.538 20 10 FDCDHN COc1ccc(N2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)cc1 ZINC000763964404 901270241 /nfs/dbraw/zinc/27/02/41/901270241.db2.gz XOGMRPWHQPMNFC-IBGZPJMESA-N 0 3 358.486 1.124 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000785428826 904321001 /nfs/dbraw/zinc/32/10/01/904321001.db2.gz SUAMMYFZINKIOU-LJQANCHMSA-N 0 3 372.513 1.846 20 10 FDCDHN C[C@H](NCC(=O)N1CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765417914 907031200 /nfs/dbraw/zinc/03/12/00/907031200.db2.gz YGGIVWHRGITNFI-HNNXBMFYSA-N 0 3 364.465 1.087 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000921528519 907597762 /nfs/dbraw/zinc/59/77/62/907597762.db2.gz ABWMCSKTBDRRAR-RDJZCZTQSA-N 0 3 351.422 1.708 20 10 FDCDHN COc1cc(Br)cc(CN[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000735926010 924676511 /nfs/dbraw/zinc/67/65/11/924676511.db2.gz CXNUOHORBNOLGO-LLVKDONJSA-N 0 3 364.261 1.830 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000807101150 940250672 /nfs/dbraw/zinc/25/06/72/940250672.db2.gz QMSBEDAMZWOGAF-WBVHZDCISA-N 0 3 374.529 1.914 20 10 FDCDHN COCCN(C)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822961708 945336356 /nfs/dbraw/zinc/33/63/56/945336356.db2.gz MTBNHOVSYGQNPR-MRXNPFEDSA-N 0 3 364.490 1.399 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817861248 943050665 /nfs/dbraw/zinc/05/06/65/943050665.db2.gz GXNZYIQKKBIPOW-APWZRJJASA-N 0 3 374.529 1.661 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cc(C)nn3C)CC2)cc1 ZINC000819297089 943507486 /nfs/dbraw/zinc/50/74/86/943507486.db2.gz LGRILMYHUXRVTE-LJQANCHMSA-N 0 3 373.501 1.010 20 10 FDCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CN4CCN3CCC4)C2)cc1 ZINC000819585500 943635238 /nfs/dbraw/zinc/63/52/38/943635238.db2.gz FWOPJJFBNOYWMW-LPHOPBHVSA-N 0 3 358.486 1.028 20 10 FDCDHN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000823548412 945843136 /nfs/dbraw/zinc/84/31/36/945843136.db2.gz NUAJZFCWRRYCKD-IBGZPJMESA-N 0 3 370.497 1.803 20 10 FDCDHN CCn1nnc(C)c1CNCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000823716594 945957529 /nfs/dbraw/zinc/95/75/29/945957529.db2.gz KKDSQMUGOMDING-UHFFFAOYSA-N 0 3 358.490 1.527 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCNC[C@H]2c2cccnc2)cc1 ZINC000844223871 947857196 /nfs/dbraw/zinc/85/71/96/947857196.db2.gz JAICRBUEYAUFDV-IBGZPJMESA-N 0 3 353.470 1.410 20 10 FDCDHN CN1CCN(C(C)(C)CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844867607 948449669 /nfs/dbraw/zinc/44/96/69/948449669.db2.gz FJOIAWAYSHDUHQ-UHFFFAOYSA-N 0 3 354.882 1.871 20 10 FDCDHN COc1ccnc(N(C(=O)c2cc(O)c([O-])c(O)c2)C2CC[NH2+]CC2)c1 ZINC001148587055 952760120 /nfs/dbraw/zinc/76/01/20/952760120.db2.gz BULRYIXSHWWPBQ-UHFFFAOYSA-N 0 3 359.382 1.606 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C(C)(C)O)C1)cc2=O ZINC001175975750 963336890 /nfs/dbraw/zinc/33/68/90/963336890.db2.gz ZDMAULMFHMRJPR-LBPRGKRZSA-N 0 3 362.430 1.595 20 10 FDCDHN [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc(I)cc2[O-])C1 ZINC001206432487 965609736 /nfs/dbraw/zinc/60/97/36/965609736.db2.gz CAMKLPQWHQAFFX-KOLCDFICSA-N 0 3 350.175 1.868 20 10 FDCDHN CCN1CCN(C(=O)[C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256300 966983109 /nfs/dbraw/zinc/98/31/09/966983109.db2.gz WJLLRZPZBQOQNB-ROUUACIJSA-N 0 3 374.529 1.726 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000775368770 967637678 /nfs/dbraw/zinc/63/76/78/967637678.db2.gz FDNYNNVSKLCUQZ-AWEZNQCLSA-N 0 3 365.474 1.278 20 10 FDCDHN CCOC(=O)C1CCN(C(=O)CN[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000775370506 967699464 /nfs/dbraw/zinc/69/94/64/967699464.db2.gz VSPIFUVWLWZTNN-ZDUSSCGKSA-N 0 3 364.442 1.853 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CC=CC4)C3)C2)cc1 ZINC000854300549 968748007 /nfs/dbraw/zinc/74/80/07/968748007.db2.gz VLZLNFRRCNDXJS-WMZOPIPTSA-N 0 3 356.470 1.930 20 10 FDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000775834056 972976141 /nfs/dbraw/zinc/97/61/41/972976141.db2.gz OQFNFAGMDAOSMJ-YDHLFZDLSA-N 0 3 353.488 1.095 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ccc[nH]c3=O)CC2)cc1 ZINC000863585370 973034605 /nfs/dbraw/zinc/03/46/05/973034605.db2.gz WXKQHLXRKHIFRA-GOSISDBHSA-N 0 3 372.469 1.069 20 10 FDCDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000864574050 973651702 /nfs/dbraw/zinc/65/17/02/973651702.db2.gz XIRIHJUQQOYQQD-INIZCTEOSA-N 0 3 364.490 1.824 20 10 FDCDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000794806991 973996179 /nfs/dbraw/zinc/99/61/79/973996179.db2.gz JCUCKEHKGIAXMU-GOSISDBHSA-N 0 3 374.510 1.822 20 10 FDCDHN CCOC(=O)CCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001200183269 974711039 /nfs/dbraw/zinc/71/10/39/974711039.db2.gz YLGGCDMCJHUAKG-UHFFFAOYSA-N 0 3 365.499 1.774 20 10 FDCDHN COc1cc([N+](=O)[O-])c(N2CCC(N3CCN(C)CC3)CC2)cc1OC ZINC000866213453 975490070 /nfs/dbraw/zinc/49/00/70/975490070.db2.gz VFJHFVJHPFBZIT-UHFFFAOYSA-N 0 3 364.446 1.828 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)Cn3ncc4ncccc43)CC2)cc1 ZINC000849325380 977427032 /nfs/dbraw/zinc/42/70/32/977427032.db2.gz GXLZXYRQWJYXOA-QGZVFWFLSA-N 0 3 367.453 1.623 20 10 FDCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000776498601 978713331 /nfs/dbraw/zinc/71/33/31/978713331.db2.gz OXFURHJCPTZSGF-PBHICJAKSA-N 0 3 355.456 1.617 20 10 FDCDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000776519916 978853460 /nfs/dbraw/zinc/85/34/60/978853460.db2.gz FAHGHKMQAHQBCG-IBGZPJMESA-N 0 3 368.449 1.845 20 10 FDCDHN C[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000851898307 979172534 /nfs/dbraw/zinc/17/25/34/979172534.db2.gz UZGSKFYGLSQFBU-IIBYNOLFSA-N 0 3 369.465 1.547 20 10 FDCDHN CN1CCN(c2ccc(CN[C@H](c3nc[nH]n3)c3cccnc3)cc2)CC1 ZINC000883291114 982048773 /nfs/dbraw/zinc/04/87/73/982048773.db2.gz SQBNFNDYDPOSMQ-IBGZPJMESA-N 0 3 363.469 1.831 20 10 FDCDHN COc1cc(N2CCN(c3ccnc(CO)c3)CC2)cc(OC)c1OC ZINC000858482029 982072598 /nfs/dbraw/zinc/07/25/98/982072598.db2.gz RVVXROWPZXZHFB-UHFFFAOYSA-N 0 3 359.426 1.926 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)c([O-])c1 ZINC000371332731 990363904 /nfs/dbraw/zinc/36/39/04/990363904.db2.gz RBBVYUSQPUWUSD-LIRRHRJNSA-N 0 3 361.442 1.991 20 10 FDCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)c([O-])c1 ZINC000371332731 990363912 /nfs/dbraw/zinc/36/39/12/990363912.db2.gz RBBVYUSQPUWUSD-LIRRHRJNSA-N 0 3 361.442 1.991 20 10 FDCDHN COC[C@@]1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCCCN1 ZINC000876783223 992910738 /nfs/dbraw/zinc/91/07/38/992910738.db2.gz XGBURFOSGRGYEA-LJQANCHMSA-N 0 3 365.449 1.642 20 10 FDCDHN CS(=O)(=O)C1(CNCc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877487920 993302181 /nfs/dbraw/zinc/30/21/81/993302181.db2.gz HEQGMIWWXURYSO-UHFFFAOYSA-N 0 3 352.500 1.705 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000879140025 994570586 /nfs/dbraw/zinc/57/05/86/994570586.db2.gz DAZWAICBRBVBGC-RTBURBONSA-N 0 3 361.486 1.579 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)c3[nH]nc(C)c3C)CC2)cc1 ZINC000265276828 997747393 /nfs/dbraw/zinc/74/73/93/997747393.db2.gz XGJZEJHDRQAYJB-UHFFFAOYSA-N 0 3 357.458 1.587 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000283630292 999758673 /nfs/dbraw/zinc/75/86/73/999758673.db2.gz WMUYKDRHZLHAAE-UHFFFAOYSA-N 0 3 372.513 1.846 20 10 FDCDHN COc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000932429351 1004953095 /nfs/dbraw/zinc/95/30/95/1004953095.db2.gz QUCYAESMSOFFRS-HNNXBMFYSA-N 0 3 360.462 1.919 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)Cc2ccco2)N(C)C)cc1 ZINC000934313873 1005731679 /nfs/dbraw/zinc/73/16/79/1005731679.db2.gz SOLFWKOPSBVWBB-SFHVURJKSA-N 0 3 372.469 1.723 20 10 FDCDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779511591 1009663901 /nfs/dbraw/zinc/66/39/01/1009663901.db2.gz RYHBVJBXEOIZMS-VOKGJARPSA-N 0 3 359.426 1.052 20 10 FDCDHN COc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c(O)c1OC ZINC000892174432 781966034 /nfs/dbraw/zinc/96/60/34/781966034.db2.gz ADXXVVJAQRINCK-OAHLLOKOSA-N 0 3 363.458 1.148 20 10 FDCDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000065675234 522860567 /nfs/dbraw/zinc/86/05/67/522860567.db2.gz YOJATTVIXIMADV-STQMWFEESA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000065675234 522860578 /nfs/dbraw/zinc/86/05/78/522860578.db2.gz YOJATTVIXIMADV-STQMWFEESA-N 0 3 369.487 1.614 20 10 FDCDHN O=C(CCN1CCN(c2ccccc2)CC1)NCCc1ccc(O)c(O)c1 ZINC000156597116 524112313 /nfs/dbraw/zinc/11/23/13/524112313.db2.gz WNXMRELHSNYZSN-UHFFFAOYSA-N 0 3 369.465 1.969 20 10 FDCDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000090182693 524587719 /nfs/dbraw/zinc/58/77/19/524587719.db2.gz IASAFRMOJWKAEI-HNNXBMFYSA-N 0 3 352.500 1.999 20 10 FDCDHN O=C1NCCCN1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093669097 524997926 /nfs/dbraw/zinc/99/79/26/524997926.db2.gz FHTNVNORXJSJPO-UHFFFAOYSA-N 0 3 358.486 1.903 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178490446 525436890 /nfs/dbraw/zinc/43/68/90/525436890.db2.gz CJQFVBFRVYGCTL-LJQANCHMSA-N 0 3 374.529 1.365 20 10 FDCDHN CN(C)c1ccc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC000154717212 525619127 /nfs/dbraw/zinc/61/91/27/525619127.db2.gz YXRCNVBJVYSCRR-UHFFFAOYSA-N 0 3 372.513 1.689 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)C[C@H]3CCCOC3)CC2)cc1 ZINC000107692584 525910178 /nfs/dbraw/zinc/91/01/78/525910178.db2.gz GEJDSASSALCECH-QGZVFWFLSA-N 0 3 361.486 1.702 20 10 FDCDHN C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)CN1CCN(C)CC1 ZINC000266659784 536913922 /nfs/dbraw/zinc/91/39/22/536913922.db2.gz JLOVEOXXGHUZJE-SFHVURJKSA-N 0 3 373.545 1.970 20 10 FDCDHN CCOc1cccc(CNCc2ccc(OCC(N)=O)c(OC)c2)c1O ZINC000263679245 537062715 /nfs/dbraw/zinc/06/27/15/537062715.db2.gz MFYMZHTYDCCELH-UHFFFAOYSA-N 0 3 360.410 1.953 20 10 FDCDHN CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265203333 537152247 /nfs/dbraw/zinc/15/22/47/537152247.db2.gz RPUQEKNGPCKYLO-GFCCVEGCSA-N 0 3 355.460 1.178 20 10 FDCDHN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265203333 537152250 /nfs/dbraw/zinc/15/22/50/537152250.db2.gz RPUQEKNGPCKYLO-GFCCVEGCSA-N 0 3 355.460 1.178 20 10 FDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2=O)c([O-])c1 ZINC000363860020 537346712 /nfs/dbraw/zinc/34/67/12/537346712.db2.gz TXCJAHZLSIDESS-FUHWJXTLSA-N 0 3 361.486 1.674 20 10 FDCDHN CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000290862257 537434585 /nfs/dbraw/zinc/43/45/85/537434585.db2.gz JRPRVFIEGLRABK-UHFFFAOYSA-N 0 3 364.467 1.952 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)cc1F ZINC000237266024 537619881 /nfs/dbraw/zinc/61/98/81/537619881.db2.gz VJNMBQJGWFJWKV-HNNXBMFYSA-N 0 3 351.422 1.252 20 10 FDCDHN CCOc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000285513249 537723978 /nfs/dbraw/zinc/72/39/78/537723978.db2.gz NQJGHMYVTHCXJH-HIFRSBDPSA-N 0 3 356.488 1.989 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1F ZINC000285743532 537754157 /nfs/dbraw/zinc/75/41/57/537754157.db2.gz PJJDMUGFGMYKPE-OAHLLOKOSA-N 0 3 364.465 1.308 20 10 FDCDHN CCCN(CCC)c1ccc(CNC[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000294902551 676398448 /nfs/dbraw/zinc/39/84/48/676398448.db2.gz XIZPWNXKDXDGLS-SFHVURJKSA-N 0 3 354.516 1.952 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000367909067 677496685 /nfs/dbraw/zinc/49/66/85/677496685.db2.gz WWCCGJXMOMIKAN-WFASDCNBSA-N 0 3 367.471 1.368 20 10 FDCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000175773951 771286336 /nfs/dbraw/zinc/28/63/36/771286336.db2.gz HCBNMLXHUTVESR-GJZGRUSLSA-N 0 3 364.490 1.645 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc3n2CCOC3)N(C)C)cc1 ZINC000891245896 774083201 /nfs/dbraw/zinc/08/32/01/774083201.db2.gz KCWBUHNHBOYMFK-MRXNPFEDSA-N 0 3 357.458 1.512 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C2\SCC(=O)N2C)N(C)C)cc1 ZINC000891247337 774093341 /nfs/dbraw/zinc/09/33/41/774093341.db2.gz UGPAQWSWWCPBAA-YQYFLZKSSA-N 0 3 362.499 1.518 20 10 FDCDHN CCO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCOC1 ZINC000891247285 774093416 /nfs/dbraw/zinc/09/34/16/774093416.db2.gz SOTGCNQMVBEPHU-WDSOQIARSA-N 0 3 363.502 1.913 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(N)=O)cc2)N(C)C)cc1 ZINC000891252087 774125206 /nfs/dbraw/zinc/12/52/06/774125206.db2.gz FXTNTLJBQNAMGW-SFHVURJKSA-N 0 3 354.454 1.884 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000891254595 774147809 /nfs/dbraw/zinc/14/78/09/774147809.db2.gz ZMUTXXIEYASMSJ-BEFAXECRSA-N 0 3 355.486 2.000 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000891256540 774164519 /nfs/dbraw/zinc/16/45/19/774164519.db2.gz ZJEDMUMJWNFJIO-MRXNPFEDSA-N 0 3 360.418 1.276 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCNC(=O)c2ccco2)N(C)C)cc1 ZINC000891258649 774189135 /nfs/dbraw/zinc/18/91/35/774189135.db2.gz XTFBFCCHEQOIFU-QGZVFWFLSA-N 0 3 372.469 1.885 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893053628 792669460 /nfs/dbraw/zinc/66/94/60/792669460.db2.gz OSVMBVPDOIDPCY-MOPGFXCFSA-N 0 3 360.502 1.802 20 10 FDCDHN CN(C)CCN1C[C@H](C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1=O ZINC000378537749 794298306 /nfs/dbraw/zinc/29/83/06/794298306.db2.gz FIWNLIWFXINOET-GOSISDBHSA-N 0 3 370.497 1.388 20 10 FDCDHN COC(=O)c1c(CN[C@H](C)[C@H]2CN(C)CCO2)c2cc(F)ccc2n1C ZINC000894346732 817430955 /nfs/dbraw/zinc/43/09/55/817430955.db2.gz WVAPSYIAWULSQB-SJKOYZFVSA-N 0 3 363.433 1.913 20 10 FDCDHN Cc1ccnc(N)c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000894383728 817994896 /nfs/dbraw/zinc/99/48/96/817994896.db2.gz AMQKVTYRPVYCSS-INIZCTEOSA-N 0 3 353.470 1.964 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729497824 819858346 /nfs/dbraw/zinc/85/83/46/819858346.db2.gz CUQFRFRVVWBDNB-RBUKOAKNSA-N 0 3 374.485 1.186 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c1[O-] ZINC000895772882 822736869 /nfs/dbraw/zinc/73/68/69/822736869.db2.gz WPHYCNMNOZMXNC-CQSZACIVSA-N 0 3 369.259 1.848 20 10 FDCDHN COC(=O)/C(C)=C/CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896605491 824713513 /nfs/dbraw/zinc/71/35/13/824713513.db2.gz WIHSNRCSSIUQKL-GWKQRERASA-N 0 3 362.474 1.774 20 10 FDCDHN O=C(NC[C@H]1CCCN1CCCO)c1cc2cc(O)c(O)cc2s1 ZINC000897876067 840530125 /nfs/dbraw/zinc/53/01/25/840530125.db2.gz KFFCVWBOQPUMIT-GFCCVEGCSA-N 0 3 350.440 1.889 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCOC[C@H]2CCO)N(C)C)cc1 ZINC000899096837 845757735 /nfs/dbraw/zinc/75/77/35/845757735.db2.gz VEDODAKPQGVDLN-MSOLQXFVSA-N 0 3 364.490 1.148 20 10 FDCDHN CNC(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099366 845794983 /nfs/dbraw/zinc/79/49/83/845794983.db2.gz ZRIFPNDEZVDXBP-WBVHZDCISA-N 0 3 361.490 1.133 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](CC(N)=O)C2)N(C)C)cc1 ZINC000899101266 845798791 /nfs/dbraw/zinc/79/87/91/845798791.db2.gz GVGIPQIYLFVZSP-WMLDXEAASA-N 0 3 361.490 1.262 20 10 FDCDHN CS[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000762359391 875807396 /nfs/dbraw/zinc/80/73/96/875807396.db2.gz NJCSJBXXQZEVSV-MSOLQXFVSA-N 0 3 364.559 1.688 20 10 FDCDHN CC(C)(CNS(C)(=O)=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000922636793 878865411 /nfs/dbraw/zinc/86/54/11/878865411.db2.gz VDCUBYUTEPQESC-UHFFFAOYSA-N 0 3 355.504 1.065 20 10 FDCDHN Cc1ncc2n1C[C@@H](C(=O)NCc1ccc(N3CCN(C)CC3)cc1)CC2 ZINC000918851972 884969158 /nfs/dbraw/zinc/96/91/58/884969158.db2.gz FFKIKXZGYSXUPX-SFHVURJKSA-N 0 3 367.497 1.822 20 10 FDCDHN Cc1cc(Br)cc(CN(C)CC(=O)N2CCNCC2)c1O ZINC000843045364 909366102 /nfs/dbraw/zinc/36/61/02/909366102.db2.gz VNMBLWGGGMCYHY-UHFFFAOYSA-N 0 3 356.264 1.327 20 10 FDCDHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788929432 932864538 /nfs/dbraw/zinc/86/45/38/932864538.db2.gz ICHSWASSTHPXLA-UHFFFAOYSA-N 0 3 374.529 1.949 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000807288259 940302777 /nfs/dbraw/zinc/30/27/77/940302777.db2.gz UQLAQYZMLAMFFA-IBGZPJMESA-N 0 3 368.481 1.376 20 10 FDCDHN OCc1cn([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000816642396 942284508 /nfs/dbraw/zinc/28/45/08/942284508.db2.gz YKJWOHJLYRUMCI-LJQANCHMSA-N 0 3 357.458 1.444 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000817830924 943041413 /nfs/dbraw/zinc/04/14/13/943041413.db2.gz HMEFLPACNAVMTM-SFHVURJKSA-N 0 3 360.502 1.618 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+](CCO)CCN2CCOCC2)c1[O-] ZINC000775657802 970972328 /nfs/dbraw/zinc/97/23/28/970972328.db2.gz IGNFSOUVJHURGT-UHFFFAOYSA-N 0 3 373.291 1.590 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+](CCO)CCN2CCOCC2)c1[O-] ZINC000775657802 970972334 /nfs/dbraw/zinc/97/23/34/970972334.db2.gz IGNFSOUVJHURGT-UHFFFAOYSA-N 0 3 373.291 1.590 20 10 FDCDHN CN1CCN(c2ccc(CN3CCN(c4cccnn4)CC3)cc2)CC1 ZINC000775672633 971266108 /nfs/dbraw/zinc/26/61/08/971266108.db2.gz MDPGEVFKDYQMNQ-UHFFFAOYSA-N 0 3 352.486 1.551 20 10 FDCDHN COc1cc(Cl)cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147630 946995252 /nfs/dbraw/zinc/99/52/52/946995252.db2.gz JAHBUTSUJUSATM-OAHLLOKOSA-N 0 3 367.877 1.841 20 10 FDCDHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846962536 951734293 /nfs/dbraw/zinc/73/42/93/951734293.db2.gz UAZNLSMYEUQSOQ-IRXDYDNUSA-N 0 3 365.449 1.028 20 10 FDCDHN CC1(C)[C@H](NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000846962550 951734602 /nfs/dbraw/zinc/73/46/02/951734602.db2.gz UAZNLSMYEUQSOQ-SJORKVTESA-N 0 3 365.449 1.028 20 10 FDCDHN O=C(c1cc(O)c([O-])c(O)c1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001148584343 952757778 /nfs/dbraw/zinc/75/77/78/952757778.db2.gz SMYRXCINIOYBMY-UHFFFAOYSA-N 0 3 369.377 1.273 20 10 FDCDHN CC(C)(C)OC(=O)C1(NC(=O)c2cc(O)c([O-])c(O)c2)CCC([NH3+])CC1 ZINC001148589541 952760663 /nfs/dbraw/zinc/76/06/63/952760663.db2.gz ASSJJZFLVPOBRG-UHFFFAOYSA-N 0 3 366.414 1.515 20 10 FDCDHN CN1CCN(c2ccc(CNC3CC[NH+](CC(=O)[O-])CC3)cc2F)CC1 ZINC001329775503 957706706 /nfs/dbraw/zinc/70/67/06/957706706.db2.gz UFAWHWRUAKMEON-UHFFFAOYSA-N 0 3 364.465 1.216 20 10 FDCDHN COCCN(CCN(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300894 968748042 /nfs/dbraw/zinc/74/80/42/968748042.db2.gz CRSPPMSBLUUOKE-MRXNPFEDSA-N 0 3 364.490 1.494 20 10 FDCDHN CN(C)CCCS(=O)(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000867531692 976320330 /nfs/dbraw/zinc/32/03/30/976320330.db2.gz JASRNBWOUKHONS-UHFFFAOYSA-N 0 3 355.504 1.019 20 10 FDCDHN COc1cc(Br)cc([C@H](C)NCC(=O)N2CCOCC2)c1O ZINC000848537964 976896341 /nfs/dbraw/zinc/89/63/41/976896341.db2.gz QNSMVSPFPDQGAK-JTQLQIEISA-N 0 3 373.247 1.673 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c1[O-] ZINC000848553502 976900716 /nfs/dbraw/zinc/90/07/16/976900716.db2.gz UGSBMHKSARAKLS-KOLCDFICSA-N 0 3 371.235 1.467 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848940460 977269146 /nfs/dbraw/zinc/26/91/46/977269146.db2.gz YAICZTXCKYWXRF-RTBURBONSA-N 0 3 372.513 1.844 20 10 FDCDHN COc1ccc(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000849584074 977788303 /nfs/dbraw/zinc/78/83/03/977788303.db2.gz CFZGBYUZJCTISB-DLBZAZTESA-N 0 3 358.442 1.486 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)cc1 ZINC000852062920 979316735 /nfs/dbraw/zinc/31/67/35/979316735.db2.gz MGOHWDWDCHIBCU-IEZWGBDMSA-N 0 3 374.485 1.436 20 10 FDCDHN CN(C)c1ccc(CNC(=O)Cn2cc(CNC3CCCC3)nn2)cc1 ZINC000881094977 979657400 /nfs/dbraw/zinc/65/74/00/979657400.db2.gz ZLZYQBYYCKQMNX-UHFFFAOYSA-N 0 3 356.474 1.693 20 10 FDCDHN CN1CCN(C(=O)CC[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858126349 981846915 /nfs/dbraw/zinc/84/69/15/981846915.db2.gz YVOVWEMTMZPYDR-UHFFFAOYSA-N 0 3 356.264 1.408 20 10 FDCDHN C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000883370558 982098169 /nfs/dbraw/zinc/09/81/69/982098169.db2.gz NUXAGTKFDWHWJL-DOTOQJQBSA-N 0 3 351.466 1.979 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000859276037 982671988 /nfs/dbraw/zinc/67/19/88/982671988.db2.gz DIGDMNOWLMPKPA-IBGZPJMESA-N 0 3 372.513 1.844 20 10 FDCDHN CN(C)c1cc(F)c(CNCCc2nnc3c(=O)n(C)ccn23)cc1F ZINC000886282291 986019026 /nfs/dbraw/zinc/01/90/26/986019026.db2.gz DPHMGYBDPBGTGF-UHFFFAOYSA-N 0 3 362.384 1.105 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H]3C)CC2)cc1F ZINC000925330147 995500888 /nfs/dbraw/zinc/50/08/88/995500888.db2.gz RHPLFXUPDZXSLF-CZUORRHYSA-N 0 3 350.438 1.759 20 10 FDCDHN CCOC(=O)CNC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271270927 999683145 /nfs/dbraw/zinc/68/31/45/999683145.db2.gz JPYYQVJWOIBAGV-UHFFFAOYSA-N 0 3 365.449 1.783 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)[C@@H](C)C(=O)OCC)cc2=O ZINC000273987534 999735560 /nfs/dbraw/zinc/73/55/60/999735560.db2.gz JGQUKEWEAKQVSR-MNOVXSKESA-N 0 3 364.402 1.289 20 10 FDCDHN CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000284699734 999866736 /nfs/dbraw/zinc/86/67/36/999866736.db2.gz YMYPZEDRYGLBRT-DNVCBOLYSA-N 0 3 358.442 1.976 20 10 FDCDHN CN1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000285348508 999910597 /nfs/dbraw/zinc/91/05/97/999910597.db2.gz UFCSLSFSDOKOGX-ZYIDEWGLSA-N 0 3 371.481 1.468 20 10 FDCDHN COC1CCN(c2ccc(CN[C@@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000933035815 1005321992 /nfs/dbraw/zinc/32/19/92/1005321992.db2.gz MSBUABSJQIQQCA-LJQANCHMSA-N 0 3 373.497 1.687 20 10 FDCDHN CN(C)CCN1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC1=O ZINC000074217445 522718683 /nfs/dbraw/zinc/71/86/83/522718683.db2.gz URAULDGOWUSSNA-QGZVFWFLSA-N 0 3 358.486 1.313 20 10 FDCDHN CC(C)[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000055157640 523756747 /nfs/dbraw/zinc/75/67/47/523756747.db2.gz IKIPFAQPPLLUNV-UHFFFAOYSA-N 0 3 355.460 1.366 20 10 FDCDHN COc1ccc(N2CCN(C(=O)NC3CCN(C)CC3)CC2)cc1F ZINC000084891483 524336729 /nfs/dbraw/zinc/33/67/29/524336729.db2.gz HGPRBSROFKPZIV-UHFFFAOYSA-N 0 3 350.438 1.760 20 10 FDCDHN C[C@H](NCCC(=O)N1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000178666791 525461674 /nfs/dbraw/zinc/46/16/74/525461674.db2.gz BMIZOPQXMMFNDY-KRWDZBQOSA-N 0 3 360.502 1.338 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@H](CCO)C(C)(C)C)CC2)cc1 ZINC000181477683 525859699 /nfs/dbraw/zinc/85/96/99/525859699.db2.gz XIRXSPCOGSOPCU-GOSISDBHSA-N 0 3 363.502 1.731 20 10 FDCDHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000268189493 537011454 /nfs/dbraw/zinc/01/14/54/537011454.db2.gz DOCUJCMDXOEKEL-CYBMUJFWSA-N 0 3 369.487 1.471 20 10 FDCDHN CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000268189493 537011458 /nfs/dbraw/zinc/01/14/58/537011458.db2.gz DOCUJCMDXOEKEL-CYBMUJFWSA-N 0 3 369.487 1.471 20 10 FDCDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272508421 537288081 /nfs/dbraw/zinc/28/80/81/537288081.db2.gz WZGOGPFZNCJGLK-HKUYNNGSSA-N 0 3 358.486 1.759 20 10 FDCDHN COc1c([O-])c(C[NH2+]C2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278921341 537342555 /nfs/dbraw/zinc/34/25/55/537342555.db2.gz UWLJJTNMXUASEQ-UHFFFAOYSA-N 0 3 352.435 1.425 20 10 FDCDHN CC[C@@H](C)N(CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000287177834 537440321 /nfs/dbraw/zinc/44/03/21/537440321.db2.gz CHZSMDMTIKATAT-OAHLLOKOSA-N 0 3 367.465 1.371 20 10 FDCDHN CC1(C)OCC[C@@H]1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295309545 537712039 /nfs/dbraw/zinc/71/20/39/537712039.db2.gz VQNPXCXFFLLQHZ-KRWDZBQOSA-N 0 3 365.449 1.436 20 10 FDCDHN COc1ccc(O)c([C@H](C)N2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000368028682 537973205 /nfs/dbraw/zinc/97/32/05/537973205.db2.gz FMTZGGWKXWMNPL-XYJFISCASA-N 0 3 363.502 1.799 20 10 FDCDHN COc1cc(N2CCN(CCC3OCCO3)CC2)cc(OC)c1OC ZINC000274437902 674592277 /nfs/dbraw/zinc/59/22/77/674592277.db2.gz IJDNYSZQGYWSJO-UHFFFAOYSA-N 0 3 352.431 1.597 20 10 FDCDHN COCCN(C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000171198619 672051995 /nfs/dbraw/zinc/05/19/95/672051995.db2.gz LIPISXUVEWJNEF-UHFFFAOYSA-N 0 3 366.531 1.617 20 10 FDCDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267371075 673296913 /nfs/dbraw/zinc/29/69/13/673296913.db2.gz STOBJOMRLSYTSG-WCQYABFASA-N 0 3 355.460 1.366 20 10 FDCDHN COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294680741 676395877 /nfs/dbraw/zinc/39/58/77/676395877.db2.gz MWNBPZBCMIMOJS-UHFFFAOYSA-N 0 3 373.856 1.407 20 10 FDCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000175773968 771287644 /nfs/dbraw/zinc/28/76/44/771287644.db2.gz HCBNMLXHUTVESR-CABCVRRESA-N 0 3 364.490 1.645 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccn3nnnc23)N(C)C)cc1 ZINC000891245846 774082206 /nfs/dbraw/zinc/08/22/06/774082206.db2.gz JUSSKYRFLBWRMK-INIZCTEOSA-N 0 3 353.430 1.223 20 10 FDCDHN COC(=O)c1ccnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891249873 774111207 /nfs/dbraw/zinc/11/12/07/774111207.db2.gz UFTWZEJXTICLPU-SFHVURJKSA-N 0 3 370.453 1.967 20 10 FDCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)N1CCSCC1 ZINC000891251991 774124472 /nfs/dbraw/zinc/12/44/72/774124472.db2.gz JFZWSGICUAWDGM-CRAIPNDOSA-N 0 3 364.559 1.909 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)cc2)N(C)C)cc1 ZINC000891252085 774125107 /nfs/dbraw/zinc/12/51/07/774125107.db2.gz FXTNTLJBQNAMGW-GOSISDBHSA-N 0 3 354.454 1.884 20 10 FDCDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255121 774157863 /nfs/dbraw/zinc/15/78/63/774157863.db2.gz MWDPRNOXHRATNI-MRXNPFEDSA-N 0 3 374.445 1.585 20 10 FDCDHN CC(C)C(=O)NCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891562484 778337293 /nfs/dbraw/zinc/33/72/93/778337293.db2.gz UFFMSRHGUGTBEU-KRWDZBQOSA-N 0 3 363.506 1.427 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893053629 792669935 /nfs/dbraw/zinc/66/99/35/792669935.db2.gz OSVMBVPDOIDPCY-OALUTQOASA-N 0 3 360.502 1.802 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2nnnn2C2CC2)N(C)C)cc1 ZINC000893318501 795378436 /nfs/dbraw/zinc/37/84/36/795378436.db2.gz UIHAWBZJLNHBKW-MRXNPFEDSA-N 0 3 372.477 1.176 20 10 FDCDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000178908022 816444669 /nfs/dbraw/zinc/44/46/69/816444669.db2.gz IFDNWKDKZNZLHA-LJQANCHMSA-N 0 3 374.529 1.556 20 10 FDCDHN COc1ccc(CNCCS(=O)(=O)CC(F)(F)F)c(O)c1OC ZINC000895356120 822530458 /nfs/dbraw/zinc/53/04/58/822530458.db2.gz SNQJZFQOCKUZPS-UHFFFAOYSA-N 0 3 357.350 1.476 20 10 FDCDHN CCn1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000895750731 822729188 /nfs/dbraw/zinc/72/91/88/822729188.db2.gz NAZUQOUISITJDF-KRWDZBQOSA-N 0 3 359.478 1.466 20 10 FDCDHN CON(C)C(=O)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896055822 823981469 /nfs/dbraw/zinc/98/14/69/823981469.db2.gz VEXYPSJURVHLES-CZUORRHYSA-N 0 3 365.478 1.063 20 10 FDCDHN COC(=O)C1CC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000896208546 824202297 /nfs/dbraw/zinc/20/22/97/824202297.db2.gz DNKNZGSDHWFNLH-DQPZFDDXSA-N 0 3 362.474 1.606 20 10 FDCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1[O-] ZINC000897042765 826827046 /nfs/dbraw/zinc/82/70/46/826827046.db2.gz QFKYXABTNFRYLR-CYBMUJFWSA-N 0 3 354.834 1.517 20 10 FDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H]1C ZINC000841722571 835227005 /nfs/dbraw/zinc/22/70/05/835227005.db2.gz OSTGBSORABPLBE-ZOBUZTSGSA-N 0 3 373.501 1.280 20 10 FDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H](C)CN1 ZINC000841722365 835229583 /nfs/dbraw/zinc/22/95/83/835229583.db2.gz MXHWMGBVIZGFRO-INMHGKMJSA-N 0 3 373.501 1.280 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](O)[C@@H](F)C2)N(C)C)cc1 ZINC000899095715 845756681 /nfs/dbraw/zinc/75/66/81/845756681.db2.gz LEBBPTVKSTVVDF-YESZJQIVSA-N 0 3 352.454 1.470 20 10 FDCDHN COCCOC1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899101273 845772704 /nfs/dbraw/zinc/77/27/04/845772704.db2.gz HBELEKDPTNTIFZ-SFHVURJKSA-N 0 3 364.490 1.412 20 10 FDCDHN Cc1nnc([C@@H](C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000899104933 845778310 /nfs/dbraw/zinc/77/83/10/845778310.db2.gz SVJLSLAVKSUSDG-WBMJQRKESA-N 0 3 359.478 1.842 20 10 FDCDHN CC(C)N(C[C@H](O)CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098658 845792690 /nfs/dbraw/zinc/79/26/90/845792690.db2.gz QRPRTHCLFOGICG-ROUUACIJSA-N 0 3 366.506 1.129 20 10 FDCDHN CCOc1ccc(CNCC(=O)NCC(=O)NCc2ccccc2)c(O)c1 ZINC000922768305 879226357 /nfs/dbraw/zinc/22/63/57/879226357.db2.gz DMHZTOJFTYMYKZ-UHFFFAOYSA-N 0 3 371.437 1.313 20 10 FDCDHN NC(=O)c1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)nc1 ZINC000917433859 883423462 /nfs/dbraw/zinc/42/34/62/883423462.db2.gz HLODFZKEUXUXLY-UHFFFAOYSA-N 0 3 352.438 1.697 20 10 FDCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000186122080 902060627 /nfs/dbraw/zinc/06/06/27/902060627.db2.gz XWIJARGSAAFBBA-CABCVRRESA-N 0 3 364.490 1.787 20 10 FDCDHN COC(=O)CN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000732202588 919243329 /nfs/dbraw/zinc/24/33/29/919243329.db2.gz YAJCITSDGLZOHM-MRXNPFEDSA-N 0 3 364.442 1.395 20 10 FDCDHN COC(=O)CN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000732202588 919243342 /nfs/dbraw/zinc/24/33/42/919243342.db2.gz YAJCITSDGLZOHM-MRXNPFEDSA-N 0 3 364.442 1.395 20 10 FDCDHN CN(C)CCN1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O ZINC000746118138 927624134 /nfs/dbraw/zinc/62/41/34/927624134.db2.gz RQRCWSOGWWLTFF-QGZVFWFLSA-N 0 3 372.513 1.654 20 10 FDCDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C ZINC000769910424 929732413 /nfs/dbraw/zinc/73/24/13/929732413.db2.gz KUTVBORZYOIARP-TZMCWYRMSA-N 0 3 369.487 1.709 20 10 FDCDHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C ZINC000769910424 929732417 /nfs/dbraw/zinc/73/24/17/929732417.db2.gz KUTVBORZYOIARP-TZMCWYRMSA-N 0 3 369.487 1.709 20 10 FDCDHN CC1CCN(CCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000787665243 932362549 /nfs/dbraw/zinc/36/25/49/932362549.db2.gz XUTLFFSYUPWKDG-UHFFFAOYSA-N 0 3 372.513 1.533 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000787752155 932387152 /nfs/dbraw/zinc/38/71/52/932387152.db2.gz SEFGXBKXIGXIST-MRXNPFEDSA-N 0 3 360.502 1.668 20 10 FDCDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000793898028 938342346 /nfs/dbraw/zinc/34/23/46/938342346.db2.gz VHPUWHROYGHZAB-IAGOWNOFSA-N 0 3 374.529 1.948 20 10 FDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000804416298 938435403 /nfs/dbraw/zinc/43/54/03/938435403.db2.gz NMFWKSLEYABRBW-ZDUSSCGKSA-N 0 3 370.544 1.732 20 10 FDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)c1[O-] ZINC000808705586 940566267 /nfs/dbraw/zinc/56/62/67/940566267.db2.gz LBHHKEZODORAKC-LBPRGKRZSA-N 0 3 362.879 1.667 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000817763076 942954043 /nfs/dbraw/zinc/95/40/43/942954043.db2.gz ZAPQBPLIRXXDTR-GOSISDBHSA-N 0 3 360.502 1.654 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cccc(F)n3)CC2)cc1 ZINC000819182510 943465839 /nfs/dbraw/zinc/46/58/39/943465839.db2.gz FNUVCTKBIBYKGW-GOSISDBHSA-N 0 3 374.460 1.502 20 10 FDCDHN COC[C@H](C)OC[C@@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358691 943541009 /nfs/dbraw/zinc/54/10/09/943541009.db2.gz NZQBZFQSXAPJCH-ZFWWWQNUSA-N 0 3 374.428 1.303 20 10 FDCDHN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cc(O)cc2O)C[C@H](O)C1 ZINC001144503874 949715205 /nfs/dbraw/zinc/71/52/05/949715205.db2.gz GTSVSXVASUNYPR-LBPRGKRZSA-N 0 3 354.403 1.217 20 10 FDCDHN CN1CCN(c2ccc(CN3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC000775716969 971694248 /nfs/dbraw/zinc/69/42/48/971694248.db2.gz JTGPBMXIBKRUHD-UHFFFAOYSA-N 0 3 351.516 1.447 20 10 FDCDHN CNC(=O)CN1CCCC12CCN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC001179683210 964955006 /nfs/dbraw/zinc/95/50/06/964955006.db2.gz MLKMRKJRHVDGQZ-GQCTYLIASA-N 0 3 373.453 1.314 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)[C@@](C)(CO)C3)CC2)cc1 ZINC000852701577 967545409 /nfs/dbraw/zinc/54/54/09/967545409.db2.gz RYKRQQRQPCUFPN-OXJNMPFZSA-N 0 3 361.486 1.294 20 10 FDCDHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000852844104 967651510 /nfs/dbraw/zinc/65/15/10/967651510.db2.gz QFSYLNQMYCDHBX-WIBUTAKZSA-N 0 3 361.486 1.923 20 10 FDCDHN CCN(CC(=O)NC(C)C)C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775369691 967683791 /nfs/dbraw/zinc/68/37/91/967683791.db2.gz FMGIWUDQSPALHI-CYBMUJFWSA-N 0 3 351.447 1.425 20 10 FDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775373025 967742299 /nfs/dbraw/zinc/74/22/99/967742299.db2.gz LHUXLQLYLMOOBR-BDAKNGLRSA-N 0 3 363.336 1.828 20 10 FDCDHN CCOCc1cc(CNC[C@H]2CCCN2S(C)(=O)=O)ccc1OC ZINC001201449406 975065695 /nfs/dbraw/zinc/06/56/95/975065695.db2.gz CVKZBXGGURDAIV-MRXNPFEDSA-N 0 3 356.488 1.745 20 10 FDCDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000776519917 978853209 /nfs/dbraw/zinc/85/32/09/978853209.db2.gz FAHGHKMQAHQBCG-LJQANCHMSA-N 0 3 368.449 1.845 20 10 FDCDHN CN1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000360448624 988039539 /nfs/dbraw/zinc/03/95/39/988039539.db2.gz NUUFQMXJNSQUJQ-UABRLCRWSA-N 0 3 359.470 1.597 20 10 FDCDHN Cc1nnc(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000365826513 988119053 /nfs/dbraw/zinc/11/90/53/988119053.db2.gz VCAHKTGICCCEEI-UHFFFAOYSA-N 0 3 356.474 1.675 20 10 FDCDHN O=C(NC1CCN(Cc2cc3c(cc2O)OCO3)CC1)C1CCOCC1 ZINC000369095403 989025164 /nfs/dbraw/zinc/02/51/64/989025164.db2.gz KAAVNJYCTWGGCJ-UHFFFAOYSA-N 0 3 362.426 1.628 20 10 FDCDHN CN1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCC1(C)C ZINC000875257641 991204892 /nfs/dbraw/zinc/20/48/92/991204892.db2.gz BCDUNPCMQSJQFA-UHFFFAOYSA-N 0 3 370.497 1.622 20 10 FDCDHN Cc1ccc(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(O)c1 ZINC000876569357 992711517 /nfs/dbraw/zinc/71/15/17/992711517.db2.gz RQNDRNVHKCWZKE-UHFFFAOYSA-N 0 3 361.467 1.670 20 10 FDCDHN Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c([O-])c1 ZINC000877051029 993031341 /nfs/dbraw/zinc/03/13/41/993031341.db2.gz RIXNARGDILAYEU-UHFFFAOYSA-N 0 3 368.499 1.763 20 10 FDCDHN CCN1[C@H](C)CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000878838419 994276404 /nfs/dbraw/zinc/27/64/04/994276404.db2.gz QTBPAKICSLGDST-HDICACEKSA-N 0 3 374.529 1.758 20 10 FDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000796481230 1015853362 /nfs/dbraw/zinc/85/33/62/1015853362.db2.gz CSDJKPQQQJJRED-CZUORRHYSA-N 0 3 356.488 1.989 20 10 FDCDHN CN1CCCc2cc(CN3C(=O)N[C@H](CN4CCCCC4)C3=O)ccc21 ZINC000924544577 994807552 /nfs/dbraw/zinc/80/75/52/994807552.db2.gz XUVFOEOEOQNYCA-QGZVFWFLSA-N 0 3 356.470 1.975 20 10 FDCDHN C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1[O-] ZINC000879650035 995134640 /nfs/dbraw/zinc/13/46/40/995134640.db2.gz YPZALWROJVAIOI-OAHLLOKOSA-N 0 3 359.470 1.904 20 10 FDCDHN CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879647794 995135464 /nfs/dbraw/zinc/13/54/64/995135464.db2.gz LPDIZAGDYDUXHZ-MGPQQGTHSA-N 0 3 354.472 1.467 20 10 FDCDHN COC(=O)[C@]12CCC[C@H]1N(CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000880181738 995711245 /nfs/dbraw/zinc/71/12/45/995711245.db2.gz DNUYVJDSTFJOGE-XLIONFOSSA-N 0 3 359.470 1.786 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1=CCN(C)CC1 ZINC000288660749 1000035991 /nfs/dbraw/zinc/03/59/91/1000035991.db2.gz VMBLOAUHWNPHNC-MRXNPFEDSA-N 0 3 368.481 1.446 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN(C)Cc3ccco3)CC2)cc1 ZINC000779214690 1002712175 /nfs/dbraw/zinc/71/21/75/1002712175.db2.gz DPBGEPGYFFOELP-SFHVURJKSA-N 0 3 359.470 1.903 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCc2ccoc2)N(C)C)cc1 ZINC000930989568 1003746211 /nfs/dbraw/zinc/74/62/11/1003746211.db2.gz ROBKPUMBMFHTNJ-SFHVURJKSA-N 0 3 372.469 1.423 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934253034 1005721384 /nfs/dbraw/zinc/72/13/84/1005721384.db2.gz AWCGYUFLEPNCAN-UXHICEINSA-N 0 3 374.529 1.242 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)Cc2ccco2)N(C)C)cc1 ZINC000934313870 1005731654 /nfs/dbraw/zinc/73/16/54/1005731654.db2.gz SOLFWKOPSBVWBB-GOSISDBHSA-N 0 3 372.469 1.723 20 10 FDCDHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1=O ZINC000073132563 522476067 /nfs/dbraw/zinc/47/60/67/522476067.db2.gz XFIXMSGWWKYMDD-KRWDZBQOSA-N 0 3 358.486 1.095 20 10 FDCDHN CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000156535898 524096250 /nfs/dbraw/zinc/09/62/50/524096250.db2.gz MXTJNTKDHVFVQK-HOCLYGCPSA-N 0 3 356.488 1.921 20 10 FDCDHN Cc1cc(O)c(CNCCS(=O)(=O)NC[C@H]2CCCCO2)cc1C ZINC000174380983 524558646 /nfs/dbraw/zinc/55/86/46/524558646.db2.gz VDLGFJHNOMOQCY-MRXNPFEDSA-N 0 3 356.488 1.587 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129356597 525644749 /nfs/dbraw/zinc/64/47/49/525644749.db2.gz PVBWTGYEDYHVEL-LJQANCHMSA-N 0 3 374.529 1.365 20 10 FDCDHN C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000186020335 536223611 /nfs/dbraw/zinc/22/36/11/536223611.db2.gz VBGSTNICBMDWIK-OCCSQVGLSA-N 0 3 360.451 1.670 20 10 FDCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c1[O-] ZINC000187423139 536265881 /nfs/dbraw/zinc/26/58/81/536265881.db2.gz XUBBQLPJNMKBDB-LLVKDONJSA-N 0 3 357.248 1.973 20 10 FDCDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906704 537016713 /nfs/dbraw/zinc/01/67/13/537016713.db2.gz MAZLBVWPWNOTSW-RDJZCZTQSA-N 0 3 350.482 1.559 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)cc1F ZINC000285781546 537277015 /nfs/dbraw/zinc/27/70/15/537277015.db2.gz SXOYZYPYKSZYBX-CQSZACIVSA-N 0 3 350.438 1.061 20 10 FDCDHN COc1cccc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)c1O ZINC000281909759 537586647 /nfs/dbraw/zinc/58/66/47/537586647.db2.gz IPCWEJIDQYCOHK-UHFFFAOYSA-N 0 3 350.463 1.226 20 10 FDCDHN CN(C)CCn1nccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000294257215 537678052 /nfs/dbraw/zinc/67/80/52/537678052.db2.gz YJXFERCUSZGKRZ-VMPITWQZSA-N 0 3 369.469 1.933 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1O ZINC000366479490 537768701 /nfs/dbraw/zinc/76/87/01/537768701.db2.gz GXHGXLGOUJSRAC-MNOVXSKESA-N 0 3 369.215 1.258 20 10 FDCDHN O=C([C@@H]1CN2CCN1CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000371224695 537780992 /nfs/dbraw/zinc/78/09/92/537780992.db2.gz AWOSLAXVAAIOFM-MSOLQXFVSA-N 0 3 359.470 1.290 20 10 FDCDHN Cc1cccc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000368016084 537972022 /nfs/dbraw/zinc/97/20/22/537972022.db2.gz AYKRUMFTALKSMY-MRXNPFEDSA-N 0 3 354.472 1.327 20 10 FDCDHN COc1ccc(O)c([C@@H](C)N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034570 537973249 /nfs/dbraw/zinc/97/32/49/537973249.db2.gz BQDDFBWOSXRUBW-HIFRSBDPSA-N 0 3 368.499 1.703 20 10 FDCDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000278674374 675177669 /nfs/dbraw/zinc/17/76/69/675177669.db2.gz LTSXFGKXSPCDSK-UKRRQHHQSA-N 0 3 355.431 1.255 20 10 FDCDHN CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000138279539 671846715 /nfs/dbraw/zinc/84/67/15/671846715.db2.gz UJLVZWAPVFMMRD-AWEZNQCLSA-N 0 3 350.440 1.678 20 10 FDCDHN CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000138279539 671846716 /nfs/dbraw/zinc/84/67/16/671846716.db2.gz UJLVZWAPVFMMRD-AWEZNQCLSA-N 0 3 350.440 1.678 20 10 FDCDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180526752 672179822 /nfs/dbraw/zinc/17/98/22/672179822.db2.gz AEXJVFDCIMHAOO-UHFFFAOYSA-N 0 3 369.374 1.508 20 10 FDCDHN CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000266509103 673134785 /nfs/dbraw/zinc/13/47/85/673134785.db2.gz ZRUIFOACZLNWJI-ZDUSSCGKSA-N 0 3 355.460 1.320 20 10 FDCDHN CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267089818 673248618 /nfs/dbraw/zinc/24/86/18/673248618.db2.gz DLTZVUSYMMOGMS-LBPRGKRZSA-N 0 3 355.460 1.178 20 10 FDCDHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267089818 673248622 /nfs/dbraw/zinc/24/86/22/673248622.db2.gz DLTZVUSYMMOGMS-LBPRGKRZSA-N 0 3 355.460 1.178 20 10 FDCDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296331473 676417704 /nfs/dbraw/zinc/41/77/04/676417704.db2.gz HIIXNSVZFKTTGP-DZGCQCFKSA-N 0 3 373.494 1.641 20 10 FDCDHN CN1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000298944187 676506259 /nfs/dbraw/zinc/50/62/59/676506259.db2.gz KEODJTLJXGZVMK-UHFFFAOYSA-N 0 3 350.438 1.509 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3n(n2)CCCO3)N(C)C)cc1 ZINC000891246720 774086254 /nfs/dbraw/zinc/08/62/54/774086254.db2.gz CJWMXFNQIRGFSR-KRWDZBQOSA-N 0 3 357.458 1.764 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)N(C)C)cc1 ZINC000891249428 774107359 /nfs/dbraw/zinc/10/73/59/774107359.db2.gz QVSBGGNUAHHDDZ-FUHWJXTLSA-N 0 3 355.486 1.931 20 10 FDCDHN CC(=O)N1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891251682 774135564 /nfs/dbraw/zinc/13/55/64/774135564.db2.gz DUMYZAKEIUVQSC-LJQANCHMSA-N 0 3 360.502 1.730 20 10 FDCDHN CC[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)N1CCCC1=O ZINC000891254181 774150135 /nfs/dbraw/zinc/15/01/35/774150135.db2.gz XBHGEHQXGNCUPB-ROUUACIJSA-N 0 3 360.502 1.873 20 10 FDCDHN CC(=O)N1CCCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254986 774151951 /nfs/dbraw/zinc/15/19/51/774151951.db2.gz LRYBNFMEVTUFKF-RBUKOAKNSA-N 0 3 360.502 1.873 20 10 FDCDHN Cc1nn(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000891255226 774158822 /nfs/dbraw/zinc/15/88/22/774158822.db2.gz NVKCEKKWJOAEOU-HNNXBMFYSA-N 0 3 374.445 1.735 20 10 FDCDHN COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891256267 774163440 /nfs/dbraw/zinc/16/34/40/774163440.db2.gz WSQCFQOBJUFOGH-SFHVURJKSA-N 0 3 370.453 1.967 20 10 FDCDHN C[C@H](Cn1cccn1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891895376 780050783 /nfs/dbraw/zinc/05/07/83/780050783.db2.gz IJHRNPIPQHBZPW-CRAIPNDOSA-N 0 3 358.490 1.940 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CCc3cnc[nH]3)cc2F)CC1 ZINC000193183207 795823734 /nfs/dbraw/zinc/82/37/34/795823734.db2.gz NVYWDFQESGKBID-UHFFFAOYSA-N 0 3 359.449 1.940 20 10 FDCDHN CN(C)c1ccc([C@H](O)c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001211704185 808941729 /nfs/dbraw/zinc/94/17/29/808941729.db2.gz PKODOGZPHNFNKV-KRWDZBQOSA-N 0 3 351.410 1.925 20 10 FDCDHN CO[C@]1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000894226947 811499949 /nfs/dbraw/zinc/49/99/49/811499949.db2.gz OYBDEAPERHHXGG-MJGOQNOKSA-N 0 3 364.490 1.460 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC000895259776 822323819 /nfs/dbraw/zinc/32/38/19/822323819.db2.gz FYZBXZIIWASXGN-ZMSDIMECSA-N 0 3 361.490 1.309 20 10 FDCDHN COC(=O)N(C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895826200 822754133 /nfs/dbraw/zinc/75/41/33/822754133.db2.gz XNDXXJYDXPUQHD-INIZCTEOSA-N 0 3 365.478 1.353 20 10 FDCDHN COC(=O)[C@@H](F)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896538391 824527346 /nfs/dbraw/zinc/52/73/46/824527346.db2.gz QVEMFBRAWPSARY-LSDHHAIUSA-N 0 3 354.426 1.166 20 10 FDCDHN COC[C@H]1COCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095947 845756325 /nfs/dbraw/zinc/75/63/25/845756325.db2.gz NRZQFLIINNJQJY-ZWKOTPCHSA-N 0 3 364.490 1.412 20 10 FDCDHN COCC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101392 845773698 /nfs/dbraw/zinc/77/36/98/845773698.db2.gz HNVJYCNFIQFIGK-RDJZCZTQSA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)c2ccnn2C)N(C)C)cc1 ZINC000899098059 845790625 /nfs/dbraw/zinc/79/06/25/845790625.db2.gz LFJIMDLVNKUIQG-SJLPKXTDSA-N 0 3 374.489 1.122 20 10 FDCDHN CC(=O)N[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899098825 845792735 /nfs/dbraw/zinc/79/27/35/845792735.db2.gz SRLJXPCSQPIKLT-SJLPKXTDSA-N 0 3 361.490 1.275 20 10 FDCDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899472798 846276672 /nfs/dbraw/zinc/27/66/72/846276672.db2.gz JYLAVMSKGICMJE-IBGZPJMESA-N 0 3 372.513 1.879 20 10 FDCDHN C[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)c1ccc(N(C)C)cc1 ZINC000911225537 858370729 /nfs/dbraw/zinc/37/07/29/858370729.db2.gz HBYXLLNYPRLCRY-MJXNMMHHSA-N 0 3 366.465 1.671 20 10 FDCDHN CN(CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCOCC2)cc1 ZINC000760809817 863277029 /nfs/dbraw/zinc/27/70/29/863277029.db2.gz RGJYHPLLDOMZDH-KRWDZBQOSA-N 0 3 352.500 1.780 20 10 FDCDHN C[C@H](NCCN1C(=O)CNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000761498745 871361916 /nfs/dbraw/zinc/36/19/16/871361916.db2.gz GUFLICVHTRBWRF-LBPRGKRZSA-N 0 3 366.849 1.379 20 10 FDCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1C ZINC000914242493 871993874 /nfs/dbraw/zinc/99/38/74/871993874.db2.gz LRYFRGCSCAMQAM-GUYCJALGSA-N 0 3 364.465 1.679 20 10 FDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCN1C ZINC000914291323 872241992 /nfs/dbraw/zinc/24/19/92/872241992.db2.gz JSRPWXXPBRTNNM-KYJSFNMBSA-N 0 3 373.501 1.280 20 10 FDCDHN CS[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1N(C)C ZINC000762359396 875807329 /nfs/dbraw/zinc/80/73/29/875807329.db2.gz NJCSJBXXQZEVSV-ROUUACIJSA-N 0 3 364.559 1.688 20 10 FDCDHN Cn1ccnc(N2CCC[C@@H](NCc3ccc4c(c3)CCCO4)C2)c1=O ZINC000922019037 894322093 /nfs/dbraw/zinc/32/20/93/894322093.db2.gz BSDFIWRJSKPXDS-QGZVFWFLSA-N 0 3 354.454 1.864 20 10 FDCDHN O=C([C@H]1CN2CCN1CCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000764286004 904208877 /nfs/dbraw/zinc/20/88/77/904208877.db2.gz AMRNVMPGCHIONA-GOSISDBHSA-N 0 3 355.438 1.904 20 10 FDCDHN C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1[O-] ZINC000731843022 918715163 /nfs/dbraw/zinc/71/51/63/918715163.db2.gz NCVQUNBEKALJTF-UHFFFAOYSA-N 0 3 363.439 1.500 20 10 FDCDHN C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1[O-] ZINC000731843022 918715174 /nfs/dbraw/zinc/71/51/74/918715174.db2.gz NCVQUNBEKALJTF-UHFFFAOYSA-N 0 3 363.439 1.500 20 10 FDCDHN COc1ccc(N2CCN(C(=O)c3ccnn3CCN(C)C)CC2)cc1 ZINC000824678999 923107459 /nfs/dbraw/zinc/10/74/59/923107459.db2.gz NYGOUFODVHMNOO-UHFFFAOYSA-N 0 3 357.458 1.416 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000738317218 925156098 /nfs/dbraw/zinc/15/60/98/925156098.db2.gz JDTGBNQXTCYTIY-HXUWFJFHSA-N 0 3 374.529 1.556 20 10 FDCDHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766254887 925399441 /nfs/dbraw/zinc/39/94/41/925399441.db2.gz UAUSLHAHVIHCOJ-QZTJIDSGSA-N 0 3 374.529 1.758 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)CN3[C@H](C)CC[C@H]3C)cc2)CC1 ZINC000787321795 932261761 /nfs/dbraw/zinc/26/17/61/932261761.db2.gz KDGAAYRKZYFCNQ-IAGOWNOFSA-N 0 3 372.513 1.844 20 10 FDCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000817811689 942965803 /nfs/dbraw/zinc/96/58/03/942965803.db2.gz OEGLROUFYVMZHL-OAHLLOKOSA-N 0 3 364.465 1.449 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000817861452 943049979 /nfs/dbraw/zinc/04/99/79/943049979.db2.gz HXBBAXXJHSTOFL-INIZCTEOSA-N 0 3 374.529 1.661 20 10 FDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1C1CCN(C[C@@H]2CCCO2)CC1 ZINC000819166369 943457051 /nfs/dbraw/zinc/45/70/51/943457051.db2.gz VJQZTFUYGNHMGE-KRWDZBQOSA-N 0 3 373.453 1.800 20 10 FDCDHN CCN1CCN(CCC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000819584369 943634681 /nfs/dbraw/zinc/63/46/81/943634681.db2.gz IFFXMIHKWCSWFM-GOSISDBHSA-N 0 3 374.529 1.665 20 10 FDCDHN C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccccc1[O-] ZINC000825284701 947109158 /nfs/dbraw/zinc/10/91/58/947109158.db2.gz YWWAUHVBTSPTEF-UHFFFAOYSA-N 0 3 354.403 1.690 20 10 FDCDHN C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccccc1[O-] ZINC000825284701 947109164 /nfs/dbraw/zinc/10/91/64/947109164.db2.gz YWWAUHVBTSPTEF-UHFFFAOYSA-N 0 3 354.403 1.690 20 10 FDCDHN COc1ccc(N(C)CCN(C)CCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000844400311 948029652 /nfs/dbraw/zinc/02/96/52/948029652.db2.gz AASNGYYKAVBDTM-UHFFFAOYSA-N 0 3 374.485 1.928 20 10 FDCDHN Oc1cc(O)c(CN2CCCn3cnc(Cn4cccn4)c3C2)c(O)c1 ZINC001144508814 949780251 /nfs/dbraw/zinc/78/02/51/949780251.db2.gz ZFOXJRBLIDXRLS-UHFFFAOYSA-N 0 3 355.398 1.651 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)CCN2CCCCC2)cc1F ZINC000846726917 951497904 /nfs/dbraw/zinc/49/79/04/951497904.db2.gz LDJBNXQSACJWAW-UHFFFAOYSA-N 0 3 364.465 1.452 20 10 FDCDHN O=C(c1cccc(O)c1[O-])N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001148214058 952648284 /nfs/dbraw/zinc/64/82/84/952648284.db2.gz NYEGZVAYIMAJEE-UHFFFAOYSA-N 0 3 353.378 1.568 20 10 FDCDHN CCN1CCN([C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774959534 964241188 /nfs/dbraw/zinc/24/11/88/964241188.db2.gz DMQCNUGCLICYAJ-CYBMUJFWSA-N 0 3 352.435 1.425 20 10 FDCDHN C[C@H](NCC(=O)N(C)Cc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000775253944 966986091 /nfs/dbraw/zinc/98/60/91/966986091.db2.gz CSUCXJPYJUORNC-INIZCTEOSA-N 0 3 371.485 1.566 20 10 FDCDHN CCO[C@@H]1C[C@](N)(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000852844103 967650414 /nfs/dbraw/zinc/65/04/14/967650414.db2.gz QFSYLNQMYCDHBX-NQYLQCIDSA-N 0 3 361.486 1.923 20 10 FDCDHN CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000775370888 967696046 /nfs/dbraw/zinc/69/60/46/967696046.db2.gz XFZYBWOMVBVHDM-NVGCLXPQSA-N 0 3 352.431 1.755 20 10 FDCDHN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775369953 967714940 /nfs/dbraw/zinc/71/49/40/967714940.db2.gz JGNVCPWQRZVTNR-SWLSCSKDSA-N 0 3 352.431 1.755 20 10 FDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2)C1 ZINC000775376160 967756047 /nfs/dbraw/zinc/75/60/47/967756047.db2.gz OVZRCMTZWXVRMU-CVEARBPZSA-N 0 3 365.499 1.055 20 10 FDCDHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775830646 972876136 /nfs/dbraw/zinc/87/61/36/972876136.db2.gz LUOUOVYSJXYWNI-CYBMUJFWSA-N 0 3 373.457 1.952 20 10 FDCDHN Cc1cnc(OC2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)nc1 ZINC000848492821 976838873 /nfs/dbraw/zinc/83/88/73/976838873.db2.gz CDMLPQHRSRCMEH-QGZVFWFLSA-N 0 3 357.410 1.960 20 10 FDCDHN Cc1cnc(OC2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)nc1 ZINC000848492821 976838886 /nfs/dbraw/zinc/83/88/86/976838886.db2.gz CDMLPQHRSRCMEH-QGZVFWFLSA-N 0 3 357.410 1.960 20 10 FDCDHN CCc1cccc(CN2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c1O ZINC000848904941 977231528 /nfs/dbraw/zinc/23/15/28/977231528.db2.gz CQNMKNYHMGJBAA-KRWDZBQOSA-N 0 3 370.515 1.827 20 10 FDCDHN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1O ZINC000868308837 977486358 /nfs/dbraw/zinc/48/63/58/977486358.db2.gz BHSSVGXXEOOZCO-LBPRGKRZSA-N 0 3 355.394 1.690 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)c(OC)c1 ZINC000868365680 977541232 /nfs/dbraw/zinc/54/12/32/977541232.db2.gz HLGCUXFIGJZFTQ-HNNXBMFYSA-N 0 3 374.485 1.772 20 10 FDCDHN COc1ccc(N2CCC(N[C@@H]3CS(=O)(=O)C[C@@H]3OC)CC2)cc1 ZINC000850360788 978336457 /nfs/dbraw/zinc/33/64/57/978336457.db2.gz JLNMTESSZREUKZ-SJORKVTESA-N 0 3 354.472 1.066 20 10 FDCDHN Cc1ncc2n1CC[C@H](C(=O)NCc1ccc(N3CCN(C)CC3)cc1)C2 ZINC000881853180 980217065 /nfs/dbraw/zinc/21/70/65/980217065.db2.gz MMGSHOUHDHLQEU-SFHVURJKSA-N 0 3 367.497 1.822 20 10 FDCDHN COC(=O)/C=C\c1ccc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858612203 982153605 /nfs/dbraw/zinc/15/36/05/982153605.db2.gz ZLXTUTNTAGUVSB-XQRVVYSFSA-N 0 3 374.441 1.465 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000862250587 984283434 /nfs/dbraw/zinc/28/34/34/984283434.db2.gz MIMLWGWLOZTZGP-KRWDZBQOSA-N 0 3 366.456 1.769 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]([C@@H]3CCCO3)C1)cc2=O ZINC000886825267 986615549 /nfs/dbraw/zinc/61/55/49/986615549.db2.gz PMAAEMBDFMHCSN-WFASDCNBSA-N 0 3 360.414 1.613 20 10 FDCDHN CN1CCN(C[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000360448623 988039494 /nfs/dbraw/zinc/03/94/94/988039494.db2.gz NUUFQMXJNSQUJQ-QQOXCAACSA-N 0 3 359.470 1.597 20 10 FDCDHN COc1ccc(CNCC(C)(C)S(C)(=O)=O)cc1Cn1cccn1 ZINC000873071491 988507023 /nfs/dbraw/zinc/50/70/23/988507023.db2.gz LKYWZLIILXIVBD-UHFFFAOYSA-N 0 3 351.472 1.853 20 10 FDCDHN COc1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1Cn1cccn1 ZINC000873118404 988585446 /nfs/dbraw/zinc/58/54/46/988585446.db2.gz JDPOJPHAGWNUFH-UHFFFAOYSA-N 0 3 363.483 1.997 20 10 FDCDHN COc1ccnc(NC2CCN(Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000372742907 991441666 /nfs/dbraw/zinc/44/16/66/991441666.db2.gz RBNZDRFEBVDCGB-UHFFFAOYSA-N 0 3 358.398 1.996 20 10 FDCDHN CN(C)C[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000876777887 992903757 /nfs/dbraw/zinc/90/37/57/992903757.db2.gz VZNSIBBTEKOFPT-WFASDCNBSA-N 0 3 356.417 1.262 20 10 FDCDHN Cc1cccc(O)c1CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000877174733 993086547 /nfs/dbraw/zinc/08/65/47/993086547.db2.gz UWQPKYWSFWLFGS-HNNXBMFYSA-N 0 3 354.472 1.327 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c(C)cccc2O)C1 ZINC000877475773 993297655 /nfs/dbraw/zinc/29/76/55/993297655.db2.gz WQEFEEDXNFLKAK-OAHLLOKOSA-N 0 3 356.488 1.573 20 10 FDCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877562620 993343993 /nfs/dbraw/zinc/34/39/93/993343993.db2.gz XYQDVBMHNFTTHR-OAHLLOKOSA-N 0 3 355.504 1.065 20 10 FDCDHN COC(=O)Cn1cc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)nn1 ZINC000269671845 999471169 /nfs/dbraw/zinc/47/11/69/999471169.db2.gz XISIXTHUNSHKCP-QGZVFWFLSA-N 0 3 374.441 1.380 20 10 FDCDHN COC(=O)Cn1cc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)nn1 ZINC000269671845 999471171 /nfs/dbraw/zinc/47/11/71/999471171.db2.gz XISIXTHUNSHKCP-QGZVFWFLSA-N 0 3 374.441 1.380 20 10 FDCDHN Cc1cc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000929464020 1002083107 /nfs/dbraw/zinc/08/31/07/1002083107.db2.gz IYZBELLMCUUQBL-QGZVFWFLSA-N 0 3 373.457 1.084 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CCSCC3)CC2)cc1 ZINC000779220614 1002738115 /nfs/dbraw/zinc/73/81/15/1002738115.db2.gz YXXOFTHYTHZFLU-QGZVFWFLSA-N 0 3 351.516 1.227 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCSC2)N(C)C)cc1 ZINC000930099530 1002811706 /nfs/dbraw/zinc/81/17/06/1002811706.db2.gz OLHBADAQVKNYHC-HOCLYGCPSA-N 0 3 364.515 1.093 20 10 FDCDHN C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc[nH]1 ZINC000930231644 1002951264 /nfs/dbraw/zinc/95/12/64/1002951264.db2.gz BXTDCVSFLQCJLP-KBXCAEBGSA-N 0 3 371.485 1.677 20 10 FDCDHN COc1nn(C)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931052447 1003819325 /nfs/dbraw/zinc/81/93/25/1003819325.db2.gz CVSXKRJYWBHQCY-INIZCTEOSA-N 0 3 360.462 1.919 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000778141845 1005226956 /nfs/dbraw/zinc/22/69/56/1005226956.db2.gz MRMKYWPONVTXOJ-CRAIPNDOSA-N 0 3 359.474 1.252 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C[C@H]1CCOC1)C1CC1)cc2=O ZINC000052774795 205187421 /nfs/dbraw/zinc/18/74/21/205187421.db2.gz OUYCCAHBZQRZKM-GFCCVEGCSA-N 0 3 360.414 1.613 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C3CCCC3)CC1)cc2=O ZINC000052556880 205184890 /nfs/dbraw/zinc/18/48/90/205184890.db2.gz FXRDIYCRQQKYJN-UHFFFAOYSA-N 0 3 373.457 1.672 20 10 FDCDHN C[NH+](C)CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000271333474 674335141 /nfs/dbraw/zinc/33/51/41/674335141.db2.gz VWWNUJJBIHZGQV-HNNXBMFYSA-N 0 3 371.503 1.860 20 10 FDCDHN C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271428554 674342920 /nfs/dbraw/zinc/34/29/20/674342920.db2.gz SOFARNBQZKRWLB-BXUZGUMPSA-N 0 3 355.460 1.176 20 10 FDCDHN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271428554 674342922 /nfs/dbraw/zinc/34/29/22/674342922.db2.gz SOFARNBQZKRWLB-BXUZGUMPSA-N 0 3 355.460 1.176 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000066143273 522964858 /nfs/dbraw/zinc/96/48/58/522964858.db2.gz WGEVKFFKZLYLPZ-CYBMUJFWSA-N 0 3 353.444 1.074 20 10 FDCDHN Oc1ccccc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000179578160 525603215 /nfs/dbraw/zinc/60/32/15/525603215.db2.gz KSLPLJJKVSBBHH-UHFFFAOYSA-N 0 3 355.442 1.341 20 10 FDCDHN CCN(C)CCNC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106547400 525753138 /nfs/dbraw/zinc/75/31/38/525753138.db2.gz VDGHETSQTMXSDI-UHFFFAOYSA-N 0 3 365.497 1.719 20 10 FDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183779658 536049307 /nfs/dbraw/zinc/04/93/07/536049307.db2.gz ATESHCYLRVSXQO-JHTBKMLMSA-N 0 3 368.433 1.994 20 10 FDCDHN CCC[C@@](C)(N)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000269313260 537019264 /nfs/dbraw/zinc/01/92/64/537019264.db2.gz XUEYNGMFXJQDRG-HXUWFJFHSA-N 0 3 362.518 1.841 20 10 FDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285807270 537300251 /nfs/dbraw/zinc/30/02/51/537300251.db2.gz WKNNOKUAXBRKTF-QGZVFWFLSA-N 0 3 358.486 1.286 20 10 FDCDHN COC(=O)c1cn(CCNCc2ccc(N(C)C)cc2C(F)(F)F)nn1 ZINC000283829535 537388756 /nfs/dbraw/zinc/38/87/56/537388756.db2.gz FCFXGXWJYNPJQV-UHFFFAOYSA-N 0 3 371.363 1.939 20 10 FDCDHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000236832886 537600979 /nfs/dbraw/zinc/60/09/79/537600979.db2.gz LITHVTXKPBSDRL-FUHWJXTLSA-N 0 3 358.486 1.260 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363004786 537602047 /nfs/dbraw/zinc/60/20/47/537602047.db2.gz JXGYBPBLPWUGNY-XKVCFHCCSA-N 0 3 371.481 1.516 20 10 FDCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(=O)[nH]n3)cc2F)CC1 ZINC000285506351 537722477 /nfs/dbraw/zinc/72/24/77/537722477.db2.gz AKUCEQIYAAFHML-CQSZACIVSA-N 0 3 359.449 1.902 20 10 FDCDHN CCOC(=O)C1(COC)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000369133848 538000895 /nfs/dbraw/zinc/00/08/95/538000895.db2.gz HUWVNNCQWJKZPP-UHFFFAOYSA-N 0 3 351.399 1.913 20 10 FDCDHN COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210254 608502206 /nfs/dbraw/zinc/50/22/06/608502206.db2.gz KIBMRXPLAQAYPI-PIGZYNQJSA-N 0 3 355.398 1.965 20 10 FDCDHN O=S(=O)(c1ccc(C[NH2+]Cc2ccccc2[O-])cc1)N1CCOCC1 ZINC000060358315 671285532 /nfs/dbraw/zinc/28/55/32/671285532.db2.gz GCRRYFBIDINSCO-UHFFFAOYSA-N 0 3 362.451 1.703 20 10 FDCDHN CCN(C1CCN(Cc2cc(OC)c(C)cc2O)CC1)S(C)(=O)=O ZINC000160167948 671999662 /nfs/dbraw/zinc/99/96/62/671999662.db2.gz HZWGLAXBAZKFIR-UHFFFAOYSA-N 0 3 356.488 1.955 20 10 FDCDHN CCN(C)c1ccc([C@H](C)NCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000162346009 672017554 /nfs/dbraw/zinc/01/75/54/672017554.db2.gz PSACDKZRTBWFJZ-AWEZNQCLSA-N 0 3 366.487 1.901 20 10 FDCDHN CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000266588645 673153833 /nfs/dbraw/zinc/15/38/33/673153833.db2.gz WXFKXKQHNDBSRW-CQSZACIVSA-N 0 3 369.487 1.710 20 10 FDCDHN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000266588645 673153835 /nfs/dbraw/zinc/15/38/35/673153835.db2.gz WXFKXKQHNDBSRW-CQSZACIVSA-N 0 3 369.487 1.710 20 10 FDCDHN CCCNC(=O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892224463 782350660 /nfs/dbraw/zinc/35/06/60/782350660.db2.gz DTYNGNVAOZCWBT-QGZVFWFLSA-N 0 3 363.506 1.571 20 10 FDCDHN CN1CCN(CCOc2ccc(NC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000275126872 771354292 /nfs/dbraw/zinc/35/42/92/771354292.db2.gz NDQKAOVQBDYCAL-UHFFFAOYSA-N 0 3 371.437 1.976 20 10 FDCDHN Cc1occc1C(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247202 774092320 /nfs/dbraw/zinc/09/23/20/774092320.db2.gz GZZYCYZELUHGKJ-GOSISDBHSA-N 0 3 372.469 1.803 20 10 FDCDHN Cc1n[nH]c(=O)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891252065 774125002 /nfs/dbraw/zinc/12/50/02/774125002.db2.gz FLMQGDJRLAPFOU-MRXNPFEDSA-N 0 3 357.458 1.898 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)N(C)C)cc1 ZINC000891251238 774128872 /nfs/dbraw/zinc/12/88/72/774128872.db2.gz BCQFJULRALVDFH-NVXWUHKLSA-N 0 3 361.490 1.262 20 10 FDCDHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891253394 774143447 /nfs/dbraw/zinc/14/34/47/774143447.db2.gz SCAMXOUFIJEXNS-AZUAARDMSA-N 0 3 360.502 1.730 20 10 FDCDHN COC(=O)c1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891255164 774158640 /nfs/dbraw/zinc/15/86/40/774158640.db2.gz NHIAXNQKSRMWRU-GOSISDBHSA-N 0 3 370.453 1.967 20 10 FDCDHN CCn1nccc1N1CCC[C@H](NCc2cc(OC)c(OC)cc2O)C1=O ZINC000276733674 779230946 /nfs/dbraw/zinc/23/09/46/779230946.db2.gz HMXGAMNZDVJNEF-AWEZNQCLSA-N 0 3 374.441 1.911 20 10 FDCDHN COc1ccc(CNC(=O)CNCc2ccc(OC)c(OC)c2O)cc1 ZINC000892721537 790857451 /nfs/dbraw/zinc/85/74/51/790857451.db2.gz BNUHIFHKIJITRW-UHFFFAOYSA-N 0 3 360.410 1.824 20 10 FDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000376165166 786587836 /nfs/dbraw/zinc/58/78/36/786587836.db2.gz HPIKIIVAOVBKGQ-ZDUSSCGKSA-N 0 3 356.405 1.975 20 10 FDCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377877596 792973934 /nfs/dbraw/zinc/97/39/34/792973934.db2.gz BZLXOGUIDXIVIE-HOTGVXAUSA-N 0 3 359.470 1.933 20 10 FDCDHN COc1ccc(CN[C@@H](CCSC)C(=O)N(C)OC)c(O)c1OC ZINC000893172579 793699296 /nfs/dbraw/zinc/69/92/96/793699296.db2.gz TYCFGAKLLJGDKP-LBPRGKRZSA-N 0 3 358.460 1.641 20 10 FDCDHN CNC(=O)C(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893771307 809723985 /nfs/dbraw/zinc/72/39/85/809723985.db2.gz WBPIVKJOGKPTSU-MRXNPFEDSA-N 0 3 363.506 1.427 20 10 FDCDHN Cc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ncn1 ZINC000893850408 809770635 /nfs/dbraw/zinc/77/06/35/809770635.db2.gz YJUQPFPVJZIMNL-GOSISDBHSA-N 0 3 356.474 1.953 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCn3ccnc32)N(C)C)cc1 ZINC000895076832 819980436 /nfs/dbraw/zinc/98/04/36/819980436.db2.gz DRJCYRZVQFYJSE-DLBZAZTESA-N 0 3 356.474 1.996 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(=O)[nH]n2)N(C)C)cc1 ZINC000895079887 820050330 /nfs/dbraw/zinc/05/03/30/820050330.db2.gz CWMDTIUFJRNEMF-INIZCTEOSA-N 0 3 358.446 1.350 20 10 FDCDHN CCn1nc(C)c(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000895435439 822592179 /nfs/dbraw/zinc/59/21/79/822592179.db2.gz JGSJTVGQGLDNMJ-SFHVURJKSA-N 0 3 373.505 1.775 20 10 FDCDHN CCON(C)C(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895571224 822654415 /nfs/dbraw/zinc/65/44/15/822654415.db2.gz WMJFORAPEUESRQ-INIZCTEOSA-N 0 3 365.478 1.064 20 10 FDCDHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896538032 824515119 /nfs/dbraw/zinc/51/51/19/824515119.db2.gz RBINYQFSVFLZRK-OIISXLGYSA-N 0 3 362.474 1.464 20 10 FDCDHN COc1cnccc1N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841959432 840229272 /nfs/dbraw/zinc/22/92/72/840229272.db2.gz OBURAKLPMDYXFZ-UHFFFAOYSA-N 0 3 355.442 1.747 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)c2cnn(C)c2)N(C)C)cc1 ZINC000899101990 845774395 /nfs/dbraw/zinc/77/43/95/845774395.db2.gz JOMWFRBOIVGYCX-ZWKOTPCHSA-N 0 3 374.489 1.122 20 10 FDCDHN COC(=O)[C@H]1[C@@H]2CN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)C[C@@H]21 ZINC000899103897 845777193 /nfs/dbraw/zinc/77/71/93/845777193.db2.gz OXFUSELTFAYGEY-XDNAFOTISA-N 0 3 374.485 1.416 20 10 FDCDHN CN1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000912160317 859426500 /nfs/dbraw/zinc/42/65/00/859426500.db2.gz PUVCTVYXXNVVJN-INIZCTEOSA-N 0 3 364.465 1.946 20 10 FDCDHN COCCN(C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761205471 864340614 /nfs/dbraw/zinc/34/06/14/864340614.db2.gz MIPQHYFMBFJLCC-UHFFFAOYSA-N 0 3 355.822 1.388 20 10 FDCDHN COCCN1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761257005 864647279 /nfs/dbraw/zinc/64/72/79/864647279.db2.gz OYBCSIOWVOPGEZ-CQSZACIVSA-N 0 3 367.833 1.531 20 10 FDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 ZINC000763024216 877592977 /nfs/dbraw/zinc/59/29/77/877592977.db2.gz IWLLNBQEEZQEMY-UHFFFAOYSA-N 0 3 365.499 1.022 20 10 FDCDHN CN1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000919653957 885983210 /nfs/dbraw/zinc/98/32/10/885983210.db2.gz GBNHYUFUPLPOAW-GOSISDBHSA-N 0 3 360.502 1.789 20 10 FDCDHN COCCN(C)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000727033945 907008701 /nfs/dbraw/zinc/00/87/01/907008701.db2.gz ZRLZUOKHTKWNOW-QGZVFWFLSA-N 0 3 365.474 1.661 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000785439849 908703956 /nfs/dbraw/zinc/70/39/56/908703956.db2.gz XDTXNEHLJPSOKB-KRWDZBQOSA-N 0 3 360.502 1.605 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000732214072 919213163 /nfs/dbraw/zinc/21/31/63/919213163.db2.gz MHTZEUYGAHBLME-IBGZPJMESA-N 0 3 372.513 1.512 20 10 FDCDHN COC(=O)C[C@@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000766458182 928049591 /nfs/dbraw/zinc/04/95/91/928049591.db2.gz FMFZNTQUBAMRLJ-SFHVURJKSA-N 0 3 352.406 1.474 20 10 FDCDHN CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769863480 929704765 /nfs/dbraw/zinc/70/47/65/929704765.db2.gz IUTKRQMLXJLDPC-GFCCVEGCSA-N 0 3 355.460 1.368 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000787648704 932356868 /nfs/dbraw/zinc/35/68/68/932356868.db2.gz CQDMQXPEHUTQBV-UHFFFAOYSA-N 0 3 360.502 1.525 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787668909 932363156 /nfs/dbraw/zinc/36/31/56/932363156.db2.gz IJSVSHDQNUFASD-JKSUJKDBSA-N 0 3 360.502 1.778 20 10 FDCDHN COc1cc(C)cc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000788385804 932688765 /nfs/dbraw/zinc/68/87/65/932688765.db2.gz GKOLCQGWMSWLQC-OAHLLOKOSA-N 0 3 354.472 1.709 20 10 FDCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c2c1c(F)ccc2[O-] ZINC000806169295 938898779 /nfs/dbraw/zinc/89/87/79/938898779.db2.gz DINSVNAOWLJHMH-OUCADQQQSA-N 0 3 371.478 1.940 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000807101147 940250553 /nfs/dbraw/zinc/25/05/53/940250553.db2.gz QMSBEDAMZWOGAF-RDJZCZTQSA-N 0 3 374.529 1.914 20 10 FDCDHN C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000747815433 941267792 /nfs/dbraw/zinc/26/77/92/941267792.db2.gz HWAXTFGRBVWMFB-OXQOHEQNSA-N 0 3 373.497 1.954 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000817861453 943049831 /nfs/dbraw/zinc/04/98/31/943049831.db2.gz HXBBAXXJHSTOFL-MRXNPFEDSA-N 0 3 374.529 1.661 20 10 FDCDHN COc1cc(CN2CCN(CCN(C)C)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000844715183 948322303 /nfs/dbraw/zinc/32/23/03/948322303.db2.gz VKDHFZKPSOPMKI-UHFFFAOYSA-N 0 3 363.502 1.904 20 10 FDCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000775258924 967020144 /nfs/dbraw/zinc/02/01/44/967020144.db2.gz CDBOCPQBJHGXRO-BXWFABGCSA-N 0 3 361.486 1.858 20 10 FDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000775361941 967614935 /nfs/dbraw/zinc/61/49/35/967614935.db2.gz DUTRVYNCICCMHU-YNEHKIRRSA-N 0 3 370.471 1.085 20 10 FDCDHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000852844102 967651232 /nfs/dbraw/zinc/65/12/32/967651232.db2.gz QFSYLNQMYCDHBX-JNAXZKDPSA-N 0 3 361.486 1.923 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2F)CC1 ZINC000847454634 975646846 /nfs/dbraw/zinc/64/68/46/975646846.db2.gz LLSNNAHFPYYVLR-MRXNPFEDSA-N 0 3 362.493 1.926 20 10 FDCDHN CCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCN(CC)C1 ZINC000850692071 978617325 /nfs/dbraw/zinc/61/73/25/978617325.db2.gz MHFPFWVKYYXRNR-SFHVURJKSA-N 0 3 360.502 1.654 20 10 FDCDHN CC[C@@H](N)c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881022456 979590116 /nfs/dbraw/zinc/59/01/16/979590116.db2.gz AIBWULOMNWBDCY-MRXNPFEDSA-N 0 3 358.446 1.045 20 10 FDCDHN O=C(CNCc1cc2c(cc1O)OCO2)Nc1ccc2c(c1)OCCO2 ZINC000858304738 981975465 /nfs/dbraw/zinc/97/54/65/981975465.db2.gz IFSUIVKIAWDKLV-UHFFFAOYSA-N 0 3 358.350 1.620 20 10 FDCDHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c([O-])cccc1Br ZINC000862399788 984375167 /nfs/dbraw/zinc/37/51/67/984375167.db2.gz CIPOJXYGMBPRLF-NSHDSACASA-N 0 3 356.264 1.707 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)cc1 ZINC000886581969 986386044 /nfs/dbraw/zinc/38/60/44/986386044.db2.gz ZRVIBNGQQHFJIN-IPELMVKDSA-N 0 3 359.470 1.047 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369027592 989021163 /nfs/dbraw/zinc/02/11/63/989021163.db2.gz MYBOSTFIRQJYII-RBUKOAKNSA-N 0 3 358.486 1.949 20 10 FDCDHN C[C@H](CNC(=O)NCc1ccc2c(c1)CCN2C)CN1CCN(C)CC1 ZINC000363790329 989440538 /nfs/dbraw/zinc/44/05/38/989440538.db2.gz RRZBRFXQUVCYQX-MRXNPFEDSA-N 0 3 359.518 1.362 20 10 FDCDHN O=C1NCCN1C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876514311 992678665 /nfs/dbraw/zinc/67/86/65/992678665.db2.gz PAEXWRCKIIGZSI-UHFFFAOYSA-N 0 3 358.486 1.637 20 10 FDCDHN Cc1cccc(O)c1CN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000876685193 992793742 /nfs/dbraw/zinc/79/37/42/992793742.db2.gz AGSYZPFVEJZAMF-UHFFFAOYSA-N 0 3 364.453 1.994 20 10 FDCDHN COC[C@]1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCCCN1 ZINC000876931796 992972289 /nfs/dbraw/zinc/97/22/89/992972289.db2.gz VWHUFWDWGQHHGT-UZLBHIALSA-N 0 3 361.486 1.796 20 10 FDCDHN Cc1ccc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(O)c1 ZINC000877173533 993084766 /nfs/dbraw/zinc/08/47/66/993084766.db2.gz FQDHLZSKYKZDEN-INIZCTEOSA-N 0 3 354.472 1.327 20 10 FDCDHN CN1CCC(C[NH2+]Cc2ccc(F)c(F)c2[O-])(N2CCOCC2)CC1 ZINC000877587419 993360132 /nfs/dbraw/zinc/36/01/32/993360132.db2.gz KXBUAOBPPJUYMY-UHFFFAOYSA-N 0 3 355.429 1.557 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](OC)[C@H]3CCOC3)CC2)c(OC)c1 ZINC000877708542 993459776 /nfs/dbraw/zinc/45/97/76/993459776.db2.gz OETAMVAPCQHSCD-KXBFYZLASA-N 0 3 350.459 1.877 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000283387429 999751434 /nfs/dbraw/zinc/75/14/34/999751434.db2.gz ZPUBWQBQQNYNCE-CABCVRRESA-N 0 3 362.449 1.203 20 10 FDCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000284296613 999800583 /nfs/dbraw/zinc/80/05/83/999800583.db2.gz OHVAKSBBWYGHCH-QGZVFWFLSA-N 0 3 370.497 1.527 20 10 FDCDHN CC[C@@]1(CO)CCCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000189678955 1002509746 /nfs/dbraw/zinc/50/97/46/1002509746.db2.gz ULACZSBJJXCSAP-FQEVSTJZSA-N 0 3 361.486 1.581 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC2CC=CC2)N(C)C)cc1 ZINC000931059780 1003831764 /nfs/dbraw/zinc/83/17/64/1003831764.db2.gz QBILSLIHUUMNFQ-GOSISDBHSA-N 0 3 358.486 1.554 20 10 FDCDHN C[C@H](O)c1cn(C2CN(Cc3ccc(N4CCN(C)CC4)cc3)C2)nn1 ZINC000779614012 1010391318 /nfs/dbraw/zinc/39/13/18/1010391318.db2.gz NEABBPNRUKZZTC-HNNXBMFYSA-N 0 3 356.474 1.140 20 10 FDCDHN Cc1cc(C)c(O)c(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000779869003 1012091762 /nfs/dbraw/zinc/09/17/62/1012091762.db2.gz DCZJPRJMHDACDA-QGZVFWFLSA-N 0 3 368.499 1.635 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@](C)(O)CN(C)C)cc1F ZINC000126169970 525279169 /nfs/dbraw/zinc/27/91/69/525279169.db2.gz JWNDNUCYBXSSLG-SFHVURJKSA-N 0 3 354.470 1.784 20 10 FDCDHN COc1cc(O)c(CN2CCC(c3ccnn3CCO)CC2)cc1OC ZINC000179982363 525649773 /nfs/dbraw/zinc/64/97/73/525649773.db2.gz TUSCIEQVHXOFRU-UHFFFAOYSA-N 0 3 361.442 1.978 20 10 FDCDHN COc1cc([O-])c(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1OC ZINC000179982363 525649777 /nfs/dbraw/zinc/64/97/77/525649777.db2.gz TUSCIEQVHXOFRU-UHFFFAOYSA-N 0 3 361.442 1.978 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CCO)C(C)(C)C)cc2=O ZINC000272333720 537265624 /nfs/dbraw/zinc/26/56/24/537265624.db2.gz NQGWLVQVMOKZON-CYBMUJFWSA-N 0 3 350.419 1.498 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc2)CC1 ZINC000276151466 537303770 /nfs/dbraw/zinc/30/37/70/537303770.db2.gz GJWREJTUVZGLRE-IBGZPJMESA-N 0 3 360.502 1.558 20 10 FDCDHN COc1cccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000282684466 537332985 /nfs/dbraw/zinc/33/29/85/537332985.db2.gz INQLPTHBBHOIHD-UHFFFAOYSA-N 0 3 354.472 1.791 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H](F)CN3)cc2F)C[C@H](C)O1 ZINC000275563847 537556983 /nfs/dbraw/zinc/55/69/83/537556983.db2.gz WQWYDGGEICSDOB-CQJJVWNLSA-N 0 3 353.413 1.756 20 10 FDCDHN CN(C)CCn1c2cc(NC(=O)Cc3ccc(N)cc3)ccc2oc1=O ZINC000236990359 537605668 /nfs/dbraw/zinc/60/56/68/537605668.db2.gz ZVYMXLWNAMDEGB-UHFFFAOYSA-N 0 3 354.410 1.920 20 10 FDCDHN CCN1CCC(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000583644724 551381442 /nfs/dbraw/zinc/38/14/42/551381442.db2.gz QLCWIRKWSRUYHD-UHFFFAOYSA-N 0 3 356.470 1.703 20 10 FDCDHN C[NH+]1CCC(C)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000272563849 674456745 /nfs/dbraw/zinc/45/67/45/674456745.db2.gz UMXAANYDOBUQMC-UHFFFAOYSA-N 0 3 355.460 1.225 20 10 FDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)c2c1 ZINC000116869420 671659806 /nfs/dbraw/zinc/65/98/06/671659806.db2.gz UFCIMSHJJVDKGU-CYBMUJFWSA-N 0 3 350.440 1.678 20 10 FDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)c2c1 ZINC000116869420 671659808 /nfs/dbraw/zinc/65/98/08/671659808.db2.gz UFCIMSHJJVDKGU-CYBMUJFWSA-N 0 3 350.440 1.678 20 10 FDCDHN C[C@H](CNC(=O)NCCCSc1nccs1)CN1CCN(C)CC1 ZINC000153972383 671911965 /nfs/dbraw/zinc/91/19/65/671911965.db2.gz YDLYBHQULNLSNT-CQSZACIVSA-N 0 3 371.576 1.808 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCN(C3CC3)C2=O)N(C)C)cc1 ZINC000891243509 774057891 /nfs/dbraw/zinc/05/78/91/774057891.db2.gz PCTQYOAZWNJNSD-MOPGFXCFSA-N 0 3 372.513 1.873 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2nnn(C(C)(C)C)n2)N(C)C)cc1 ZINC000891246523 774089440 /nfs/dbraw/zinc/08/94/40/774089440.db2.gz OQQYIMFBRDGXLU-HNNXBMFYSA-N 0 3 359.478 1.527 20 10 FDCDHN COC(=O)c1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891247141 774092194 /nfs/dbraw/zinc/09/21/94/774092194.db2.gz FTFMRHUFSHAQJB-QGZVFWFLSA-N 0 3 371.441 1.362 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C2\SCC(=O)N2C)N(C)C)cc1 ZINC000891247335 774092926 /nfs/dbraw/zinc/09/29/26/774092926.db2.gz UGPAQWSWWCPBAA-PACYTGELSA-N 0 3 362.499 1.518 20 10 FDCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)N1CCSCC1 ZINC000891251992 774124407 /nfs/dbraw/zinc/12/44/07/774124407.db2.gz JFZWSGICUAWDGM-MAUKXSAKSA-N 0 3 364.559 1.909 20 10 FDCDHN Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251953 774124438 /nfs/dbraw/zinc/12/44/38/774124438.db2.gz IOFKLPRYVFKJSQ-SFHVURJKSA-N 0 3 372.469 1.347 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000891251292 774129518 /nfs/dbraw/zinc/12/95/18/774129518.db2.gz BPVCAYFFKFGUSG-QGZVFWFLSA-N 0 3 374.445 1.667 20 10 FDCDHN COc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)nn1C ZINC000891253078 774140213 /nfs/dbraw/zinc/14/02/13/774140213.db2.gz QHUNEQVYBWSAHD-INIZCTEOSA-N 0 3 359.474 1.836 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)N(C)C)cc1 ZINC000891254282 774151512 /nfs/dbraw/zinc/15/15/12/774151512.db2.gz YDCVCEWZGRTVMY-MRXNPFEDSA-N 0 3 368.441 1.534 20 10 FDCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)N1C(=O)CCC1=O ZINC000891256221 774162356 /nfs/dbraw/zinc/16/23/56/774162356.db2.gz VVLFBLBLFBOARW-XJKSGUPXSA-N 0 3 360.458 1.009 20 10 FDCDHN CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)ccc21 ZINC000892492828 785261927 /nfs/dbraw/zinc/26/19/27/785261927.db2.gz UOUMDIXJQBTVDH-VQTJNVASSA-N 0 3 372.513 1.810 20 10 FDCDHN Cc1noc(CCCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000892704693 789562674 /nfs/dbraw/zinc/56/26/74/789562674.db2.gz MTXJJBOHYWEDCM-KRWDZBQOSA-N 0 3 374.489 1.979 20 10 FDCDHN Cc1nccnc1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895054194 819671109 /nfs/dbraw/zinc/67/11/09/819671109.db2.gz CGWIXCMPQWEBNZ-LJQANCHMSA-N 0 3 370.501 1.996 20 10 FDCDHN CC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895927135 823774475 /nfs/dbraw/zinc/77/44/75/823774475.db2.gz GSEHLYOLTJBACA-SJLPKXTDSA-N 0 3 361.490 1.275 20 10 FDCDHN COc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCCN3CCO)cc1OC ZINC000897222155 827186635 /nfs/dbraw/zinc/18/66/35/827186635.db2.gz SRIVQQRNLFWADR-CHWSQXEVSA-N 0 3 351.403 1.647 20 10 FDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@H]1C ZINC000841722569 835227136 /nfs/dbraw/zinc/22/71/36/835227136.db2.gz OSTGBSORABPLBE-YQQAZPJKSA-N 0 3 373.501 1.280 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)N(C)C)cc1 ZINC000897903936 840565089 /nfs/dbraw/zinc/56/50/89/840565089.db2.gz KPRHDUBOIUZNKJ-SGYMCOKNSA-N 0 3 358.486 1.830 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@@H](O)C(F)F)N(C)C)cc1 ZINC000899097594 845760226 /nfs/dbraw/zinc/76/02/26/845760226.db2.gz BZNRDQSQRMMQEB-LSDHHAIUSA-N 0 3 358.433 1.671 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC(C(N)=O)CC2)N(C)C)cc1 ZINC000899101737 845773557 /nfs/dbraw/zinc/77/35/57/845773557.db2.gz LNENPLQLONTHES-KRWDZBQOSA-N 0 3 361.490 1.262 20 10 FDCDHN Cc1nc2n(n1)CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C2 ZINC000899103009 845775805 /nfs/dbraw/zinc/77/58/05/845775805.db2.gz UUWHMVZFNLXDKB-QGZVFWFLSA-N 0 3 371.489 1.481 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@H]2COCCO2)N(C)C)cc1 ZINC000899099039 845792484 /nfs/dbraw/zinc/79/24/84/845792484.db2.gz UVROOOVYOJCMSX-ZWKOTPCHSA-N 0 3 364.490 1.412 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000787671777 932364535 /nfs/dbraw/zinc/36/45/35/932364535.db2.gz RDQXHWHNLAZPQA-KRWDZBQOSA-N 0 3 374.529 1.949 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000793901613 938334475 /nfs/dbraw/zinc/33/44/75/938334475.db2.gz MVMYVZUUSVACTQ-WBVHZDCISA-N 0 3 374.529 1.914 20 10 FDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c2c1c(F)ccc2[O-] ZINC000806169298 938898811 /nfs/dbraw/zinc/89/88/11/938898811.db2.gz DINSVNAOWLJHMH-YRGRVCCFSA-N 0 3 371.478 1.940 20 10 FDCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806330640 939901182 /nfs/dbraw/zinc/90/11/82/939901182.db2.gz PHEYRGORLWLISM-GOSISDBHSA-N 0 3 370.497 1.670 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](CCO)CC1)cc2=O ZINC000817296239 942681257 /nfs/dbraw/zinc/68/12/57/942681257.db2.gz GTNDMVCYPXDDHG-CYBMUJFWSA-N 0 3 362.430 1.596 20 10 FDCDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCCSc1nccs1 ZINC000817822870 943028192 /nfs/dbraw/zinc/02/81/92/943028192.db2.gz JCMTWTUEABKGSJ-LBPRGKRZSA-N 0 3 356.517 1.294 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cccc(C)n3)CC2)cc1 ZINC000818965109 943346366 /nfs/dbraw/zinc/34/63/66/943346366.db2.gz DPGAURFDEOLGKH-FQEVSTJZSA-N 0 3 370.497 1.671 20 10 FDCDHN CCOC(=O)CNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001195579233 971049191 /nfs/dbraw/zinc/04/91/91/971049191.db2.gz RVSIVYRXBWXFOH-UHFFFAOYSA-N 0 3 351.472 1.384 20 10 FDCDHN COc1cc([O-])c(CN2CCCC[C@@](O)(C[NH3+])C2)c(Br)c1 ZINC001205726268 971234555 /nfs/dbraw/zinc/23/45/55/971234555.db2.gz SDPQRDOPWSMNFH-OAHLLOKOSA-N 0 3 359.264 1.839 20 10 FDCDHN CCN(CCO)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824685224 946683006 /nfs/dbraw/zinc/68/30/06/946683006.db2.gz BIBYZXGZXNAYMI-MRXNPFEDSA-N 0 3 364.490 1.135 20 10 FDCDHN COC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)C1CCOCC1 ZINC000775723223 971730773 /nfs/dbraw/zinc/73/07/73/971730773.db2.gz FZVXQMCPFMUEHX-UHFFFAOYSA-N 0 3 361.486 1.592 20 10 FDCDHN CC(C)(C)OC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCC([NH3+])CC1 ZINC001148219968 952652651 /nfs/dbraw/zinc/65/26/51/952652651.db2.gz IPGRBZHKZVSCBG-UHFFFAOYSA-N 0 3 350.415 1.809 20 10 FDCDHN COc1c([O-])c(CN2CCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000774818661 963810440 /nfs/dbraw/zinc/81/04/40/963810440.db2.gz FNSQSFSFSIWXPH-CQSZACIVSA-N 0 3 351.403 1.606 20 10 FDCDHN COc1c(O)c(CN2CCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000774818661 963810446 /nfs/dbraw/zinc/81/04/46/963810446.db2.gz FNSQSFSFSIWXPH-CQSZACIVSA-N 0 3 351.403 1.606 20 10 FDCDHN COC(=O)C1CCN(C(=O)CN[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000775371257 967739820 /nfs/dbraw/zinc/73/98/20/967739820.db2.gz WBWLHSLHYFSJBD-GFCCVEGCSA-N 0 3 350.415 1.463 20 10 FDCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000865773610 974480371 /nfs/dbraw/zinc/48/03/71/974480371.db2.gz VYZUDYRORBKOHY-UHFFFAOYSA-N 0 3 355.394 1.742 20 10 FDCDHN S=C(NCCN1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC001200434523 974788608 /nfs/dbraw/zinc/78/86/08/974788608.db2.gz WJAXBMZRRDUNMS-UHFFFAOYSA-N 0 3 362.543 1.973 20 10 FDCDHN COc1cc(O)c(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1OC ZINC000776223972 975182961 /nfs/dbraw/zinc/18/29/61/975182961.db2.gz QIPJCYZQHUCXJP-RISCZKNCSA-N 0 3 360.414 1.427 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847386181 975563007 /nfs/dbraw/zinc/56/30/07/975563007.db2.gz WBPAHLNXLRNIQP-ZYSHUDEJSA-N 0 3 360.502 1.452 20 10 FDCDHN COc1ccc(N2CCN(CCCNc3cc(=O)n(C)cn3)CC2)cc1 ZINC000848644042 976974718 /nfs/dbraw/zinc/97/47/18/976974718.db2.gz ZGTCHRCGFRTDOC-UHFFFAOYSA-N 0 3 357.458 1.413 20 10 FDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(N)CC4(CCC4)C3)cc2)C1 ZINC000851629709 978978617 /nfs/dbraw/zinc/97/86/17/978978617.db2.gz VDBXEBBFAZAMKJ-MRXNPFEDSA-N 0 3 370.497 1.666 20 10 FDCDHN C[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000851898302 979173181 /nfs/dbraw/zinc/17/31/81/979173181.db2.gz UZGSKFYGLSQFBU-HRAATJIYSA-N 0 3 369.465 1.547 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)cc1 ZINC000852062922 979317745 /nfs/dbraw/zinc/31/77/45/979317745.db2.gz MGOHWDWDCHIBCU-VDZJLULYSA-N 0 3 374.485 1.436 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)NCCCn3ccnc3)cc2)CC1 ZINC000883035509 981904323 /nfs/dbraw/zinc/90/43/23/981904323.db2.gz FOJJOAAJIRVUMV-UHFFFAOYSA-N 0 3 356.474 1.524 20 10 FDCDHN O=S1(=O)CCC[C@H]1CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000883299450 982056145 /nfs/dbraw/zinc/05/61/45/982056145.db2.gz VAWKZDNGRGDOHO-HNNXBMFYSA-N 0 3 356.463 1.719 20 10 FDCDHN COc1cc(Br)cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000886294766 986042588 /nfs/dbraw/zinc/04/25/88/986042588.db2.gz PLAZUPGEPHEDJR-GZMMTYOYSA-N 0 3 364.261 1.686 20 10 FDCDHN COc1cc(O)c(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1OC ZINC000295088202 988605187 /nfs/dbraw/zinc/60/51/87/988605187.db2.gz IZNQQZYNJBQVIK-CYBMUJFWSA-N 0 3 370.446 1.727 20 10 FDCDHN CN(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)CC(C)(C)C ZINC000874111499 989759151 /nfs/dbraw/zinc/75/91/51/989759151.db2.gz OSCSREZBGQBTGA-QGZVFWFLSA-N 0 3 374.529 1.982 20 10 FDCDHN CNC(=O)CC[C@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298543087 990149856 /nfs/dbraw/zinc/14/98/56/990149856.db2.gz NJUXJJNSEYWQQE-GOSISDBHSA-N 0 3 360.502 1.750 20 10 FDCDHN CC[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1[O-] ZINC000373447884 992224531 /nfs/dbraw/zinc/22/45/31/992224531.db2.gz HFWWEJOXSYBSFN-ROUUACIJSA-N 0 3 361.486 1.756 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@](O)(C4CC4)C3)CC2)cc1 ZINC000373913342 992517445 /nfs/dbraw/zinc/51/74/45/992517445.db2.gz XSNQZUNZCPKYQH-FQEVSTJZSA-N 0 3 359.470 1.191 20 10 FDCDHN Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000876989794 992997483 /nfs/dbraw/zinc/99/74/83/992997483.db2.gz GBZSIRMUAVOYGM-UHFFFAOYSA-N 0 3 354.454 1.924 20 10 FDCDHN NC(=O)COc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877071359 993037854 /nfs/dbraw/zinc/03/78/54/993037854.db2.gz LBCYDNRQTJVWDR-UHFFFAOYSA-N 0 3 369.465 1.802 20 10 FDCDHN C[C@@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CS1(=O)=O ZINC000877628565 993393246 /nfs/dbraw/zinc/39/32/46/993393246.db2.gz IECPAMMZXRNPPV-ZBFHGGJFSA-N 0 3 352.500 1.703 20 10 FDCDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877660350 993417818 /nfs/dbraw/zinc/41/78/18/993417818.db2.gz JWSRQBGCPVKKRT-ZWKOTPCHSA-N 0 3 358.442 1.959 20 10 FDCDHN CN1CCN(c2ccc(CN3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000877790747 993516374 /nfs/dbraw/zinc/51/63/74/993516374.db2.gz GRHYXJKMVZFBIW-ROUUACIJSA-N 0 3 363.527 1.305 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3CSC[C@@H]3C1)cc2=O ZINC000879562895 995010660 /nfs/dbraw/zinc/01/06/60/995010660.db2.gz NSSCZZIZXHZDAT-NEPJUHHUSA-N 0 3 362.455 1.797 20 10 FDCDHN CCCCN(C(=O)C[NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879647839 995135666 /nfs/dbraw/zinc/13/56/66/995135666.db2.gz NFHGXJUTOLRWFH-HUUCEWRRSA-N 0 3 368.499 1.859 20 10 FDCDHN CCCCN(C(=O)CN[C@H](C)c1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000879647839 995135674 /nfs/dbraw/zinc/13/56/74/995135674.db2.gz NFHGXJUTOLRWFH-HUUCEWRRSA-N 0 3 368.499 1.859 20 10 FDCDHN CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879651720 995137344 /nfs/dbraw/zinc/13/73/44/995137344.db2.gz IODLFFMVRJMMSZ-ZNMIVQPWSA-N 0 3 368.499 1.857 20 10 FDCDHN Cc1ccc(O)c([C@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c1 ZINC000926965633 996377043 /nfs/dbraw/zinc/37/70/43/996377043.db2.gz VBZQAOLIEUOUGG-HNNXBMFYSA-N 0 3 355.438 1.784 20 10 FDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288153814 999991172 /nfs/dbraw/zinc/99/11/72/999991172.db2.gz ZHKSSKRWMBZGSB-SFHVURJKSA-N 0 3 360.502 1.702 20 10 FDCDHN C[C@@H](NC[C@@H]1CN=C(c2cnn(C)c2)O1)c1ccc(N2CCOCC2)cc1 ZINC000930209142 1002929634 /nfs/dbraw/zinc/92/96/34/1002929634.db2.gz AZTZSGZYAQTMLK-DNVCBOLYSA-N 0 3 369.469 1.753 20 10 FDCDHN C[C@@H](NCC(=O)N1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000930212148 1002932006 /nfs/dbraw/zinc/93/20/06/1002932006.db2.gz YMVFRHYLZLMQGV-MRXNPFEDSA-N 0 3 361.486 1.811 20 10 FDCDHN C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc[nH]1 ZINC000930231646 1002951356 /nfs/dbraw/zinc/95/13/56/1002951356.db2.gz BXTDCVSFLQCJLP-KSSFIOAISA-N 0 3 371.485 1.677 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)N(C)C)cc1 ZINC000930929095 1003671334 /nfs/dbraw/zinc/67/13/34/1003671334.db2.gz WYBSUYTUJJINSB-BMFAXAFESA-N 0 3 372.513 1.776 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000778141851 1005226915 /nfs/dbraw/zinc/22/69/15/1005226915.db2.gz MRMKYWPONVTXOJ-QAPCUYQASA-N 0 3 359.474 1.252 20 10 FDCDHN C[C@H]1CCC[N@H+](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000057171989 522022899 /nfs/dbraw/zinc/02/28/99/522022899.db2.gz HFQCGYCFLYUMTB-LBPRGKRZSA-N 0 3 355.460 1.225 20 10 FDCDHN C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000057171989 522022903 /nfs/dbraw/zinc/02/29/03/522022903.db2.gz HFQCGYCFLYUMTB-LBPRGKRZSA-N 0 3 355.460 1.225 20 10 FDCDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000111373213 524277178 /nfs/dbraw/zinc/27/71/78/524277178.db2.gz WEAIEZWWDIOSPT-BEFAXECRSA-N 0 3 369.469 1.713 20 10 FDCDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093821101 525004314 /nfs/dbraw/zinc/00/43/14/525004314.db2.gz XOSRXRWBQLBLAE-FQEVSTJZSA-N 0 3 372.513 1.262 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](N(C)C)C3)CC2)cc1 ZINC000109807741 526188590 /nfs/dbraw/zinc/18/85/90/526188590.db2.gz GDPNGJYWPMWFLP-GOSISDBHSA-N 0 3 360.502 1.370 20 10 FDCDHN COc1ccc(N2CCCN(C(=O)c3[nH]nc4c3CNCC4)CC2)cc1 ZINC000188736327 536938992 /nfs/dbraw/zinc/93/89/92/536938992.db2.gz YTZIDIMUWOFMGY-UHFFFAOYSA-N 0 3 355.442 1.417 20 10 FDCDHN CN(CC1CCN(C)CC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285790145 537284013 /nfs/dbraw/zinc/28/40/13/537284013.db2.gz UPSAJRZBFVSQTG-UHFFFAOYSA-N 0 3 372.513 1.485 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@]1(C)CCO[C@H]1C1CC1)cc2=O ZINC000273020347 537378776 /nfs/dbraw/zinc/37/87/76/537378776.db2.gz DLRAAVJFCJPJMX-MAUKXSAKSA-N 0 3 360.414 1.659 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000291545866 537626188 /nfs/dbraw/zinc/62/61/88/537626188.db2.gz LTXIOGXBYPYZKY-UHFFFAOYSA-N 0 3 355.236 1.727 20 10 FDCDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285672574 537744795 /nfs/dbraw/zinc/74/47/95/537744795.db2.gz ISNOTBSVSDXKDT-KRWDZBQOSA-N 0 3 372.513 1.485 20 10 FDCDHN Cc1cc(C(=O)NCCC[NH+](C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236633 598931153 /nfs/dbraw/zinc/93/11/53/598931153.db2.gz PJVARYLNOLARDD-UHFFFAOYSA-N 0 3 367.457 1.956 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737271856 599102555 /nfs/dbraw/zinc/10/25/55/599102555.db2.gz XMIFTFJDAQOBFW-CYBMUJFWSA-N 0 3 367.461 1.269 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737271856 599102558 /nfs/dbraw/zinc/10/25/58/599102558.db2.gz XMIFTFJDAQOBFW-CYBMUJFWSA-N 0 3 367.461 1.269 20 10 FDCDHN CN(C)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1F ZINC000736774650 598527751 /nfs/dbraw/zinc/52/77/51/598527751.db2.gz WIEWUEOBBHSVAK-LBPRGKRZSA-N 0 3 371.424 1.100 20 10 FDCDHN CN(C)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1F ZINC000736774650 598527753 /nfs/dbraw/zinc/52/77/53/598527753.db2.gz WIEWUEOBBHSVAK-LBPRGKRZSA-N 0 3 371.424 1.100 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277591889 674974032 /nfs/dbraw/zinc/97/40/32/674974032.db2.gz SLWBVMSQTSDGRH-AWEZNQCLSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277591889 674974033 /nfs/dbraw/zinc/97/40/33/674974033.db2.gz SLWBVMSQTSDGRH-AWEZNQCLSA-N 0 3 367.471 1.510 20 10 FDCDHN COc1cc(Cl)cc(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000359977124 676859537 /nfs/dbraw/zinc/85/95/37/676859537.db2.gz VPKCYJPAIDIKPN-GFCCVEGCSA-N 0 3 350.806 1.683 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000373944421 678069025 /nfs/dbraw/zinc/06/90/25/678069025.db2.gz BOWHQIDESQTZEF-DGCLKSJQSA-N 0 3 353.444 1.120 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000373944421 678069029 /nfs/dbraw/zinc/06/90/29/678069029.db2.gz BOWHQIDESQTZEF-DGCLKSJQSA-N 0 3 353.444 1.120 20 10 FDCDHN CO[C@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCSC1 ZINC000891242340 774037290 /nfs/dbraw/zinc/03/72/90/774037290.db2.gz FCMHJOGBCYVNHR-FUHWJXTLSA-N 0 3 351.516 1.994 20 10 FDCDHN CCO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCOC1 ZINC000891247280 774092892 /nfs/dbraw/zinc/09/28/92/774092892.db2.gz SOTGCNQMVBEPHU-NEWSRXKRSA-N 0 3 363.502 1.913 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)N(C)C)cc1 ZINC000891249427 774107475 /nfs/dbraw/zinc/10/74/75/774107475.db2.gz QVSBGGNUAHHDDZ-AEFFLSMTSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3nnnn3c2)N(C)C)cc1 ZINC000891251932 774124171 /nfs/dbraw/zinc/12/41/71/774124171.db2.gz IFDAPHOYLLIHTF-MRXNPFEDSA-N 0 3 353.430 1.223 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)N(C)C)cc1 ZINC000891251239 774128710 /nfs/dbraw/zinc/12/87/10/774128710.db2.gz BCQFJULRALVDFH-RDJZCZTQSA-N 0 3 361.490 1.262 20 10 FDCDHN CCn1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1=O ZINC000891254175 774150278 /nfs/dbraw/zinc/15/02/78/774150278.db2.gz WZIASTNWRPUORF-KRWDZBQOSA-N 0 3 357.458 1.362 20 10 FDCDHN COc1cc(=O)[nH]cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257257 774166795 /nfs/dbraw/zinc/16/67/95/774166795.db2.gz GNKKLCIMWNMBHL-INIZCTEOSA-N 0 3 358.442 1.895 20 10 FDCDHN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c1 ZINC000255305769 776787936 /nfs/dbraw/zinc/78/79/36/776787936.db2.gz CZXSKZOPJANBOR-GIFJBRJJSA-N 0 3 364.449 1.974 20 10 FDCDHN CC(C)NC(=O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891762229 779296838 /nfs/dbraw/zinc/29/68/38/779296838.db2.gz CSMOUCQSEDLDMV-QGZVFWFLSA-N 0 3 363.506 1.569 20 10 FDCDHN COC[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893121203 793086733 /nfs/dbraw/zinc/08/67/33/793086733.db2.gz PKYOUQXVERCOGS-WBVHZDCISA-N 0 3 352.479 1.052 20 10 FDCDHN COc1ccc(N2CCN(CCNCc3c(C)ccnc3N)CC2)cc1 ZINC000894206262 810984465 /nfs/dbraw/zinc/98/44/65/810984465.db2.gz DSZLJBLUYVZMDL-UHFFFAOYSA-N 0 3 355.486 1.893 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCN(C)CCO)cc1 ZINC000924998167 816193447 /nfs/dbraw/zinc/19/34/47/816193447.db2.gz HTLVZFASRKKURY-UHFFFAOYSA-N 0 3 357.454 1.489 20 10 FDCDHN CCn1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000895750734 822729319 /nfs/dbraw/zinc/72/93/19/822729319.db2.gz NAZUQOUISITJDF-QGZVFWFLSA-N 0 3 359.478 1.466 20 10 FDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898365194 840999856 /nfs/dbraw/zinc/99/98/56/840999856.db2.gz WFYCTPLXLHVPPN-SNVBAGLBSA-N 0 3 350.806 1.918 20 10 FDCDHN CN(C)c1ccc([C@H](CNCc2cn(C[C@H]3CCCO3)nn2)N(C)C)cc1 ZINC000898447249 844713724 /nfs/dbraw/zinc/71/37/24/844713724.db2.gz IBSMNXYAUFLMRN-UXHICEINSA-N 0 3 372.517 1.916 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cn(C)nn2)N(C)C)cc1 ZINC000899097471 845759821 /nfs/dbraw/zinc/75/98/21/845759821.db2.gz AXWULODWGHHGOR-QGZVFWFLSA-N 0 3 359.478 1.325 20 10 FDCDHN CSC[C@@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101918 845774475 /nfs/dbraw/zinc/77/44/75/845774475.db2.gz NEJWTTPYOJFLHD-AEFFLSMTSA-N 0 3 368.547 1.769 20 10 FDCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NCCF ZINC000899103554 845776472 /nfs/dbraw/zinc/77/64/72/845776472.db2.gz MUUBHCDOKQSYAA-CJNGLKHVSA-N 0 3 367.469 1.129 20 10 FDCDHN CCC[C@H](O)[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098813 845793066 /nfs/dbraw/zinc/79/30/66/845793066.db2.gz SMSHMHDRNRXRPF-BZSNNMDCSA-N 0 3 366.506 1.176 20 10 FDCDHN CCN1C(=O)C(=CNC[C@@H](c2ccccc2)N(C)C)C(=O)N(CC)C1=S ZINC000028976041 881416307 /nfs/dbraw/zinc/41/63/07/881416307.db2.gz HKPMXERJOZLXOQ-INIZCTEOSA-N 0 3 374.510 1.758 20 10 FDCDHN CN(C)CCn1nccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709627 860057563 /nfs/dbraw/zinc/05/75/63/860057563.db2.gz QRBQLZGQUNKIIU-UHFFFAOYSA-N 0 3 371.485 1.336 20 10 FDCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCN1C ZINC000914255773 872073855 /nfs/dbraw/zinc/07/38/55/872073855.db2.gz WLUGESGQYPKVSS-KXBFYZLASA-N 0 3 360.502 1.787 20 10 FDCDHN COC[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265833358 873538759 /nfs/dbraw/zinc/53/87/59/873538759.db2.gz UXZSMHITURDAST-INIZCTEOSA-N 0 3 365.449 1.247 20 10 FDCDHN CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(C)c1 ZINC000765976838 873930037 /nfs/dbraw/zinc/93/00/37/873930037.db2.gz BLWDXPHYGQHRTP-SFHVURJKSA-N 0 3 362.499 1.896 20 10 FDCDHN CN1CC[C@@](O)(CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000763022823 877585332 /nfs/dbraw/zinc/58/53/32/877585332.db2.gz YXRZKJRVZIIKMR-GOSISDBHSA-N 0 3 364.515 1.106 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)Cc3cn4c(n3)CCCC4)cc2)CC1 ZINC000918838637 884953662 /nfs/dbraw/zinc/95/36/62/884953662.db2.gz LDKZAZGXEWANDW-UHFFFAOYSA-N 0 3 367.497 1.830 20 10 FDCDHN CN1CCC[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000919654482 885982981 /nfs/dbraw/zinc/98/29/81/885982981.db2.gz LWVJYNUPARXFBG-SJORKVTESA-N 0 3 373.501 1.282 20 10 FDCDHN CCOC1CC(C[NH2+]Cc2c([O-])cccc2OC)(N2CCOCC2)C1 ZINC000767737443 929616873 /nfs/dbraw/zinc/61/68/73/929616873.db2.gz ZGSNKQLHZNGECR-UHFFFAOYSA-N 0 3 350.459 1.760 20 10 FDCDHN COCC1(C)CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000788439988 932694216 /nfs/dbraw/zinc/69/42/16/932694216.db2.gz ZPJHHTKDLLNZRD-GOSISDBHSA-N 0 3 363.502 1.146 20 10 FDCDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000793898030 938342444 /nfs/dbraw/zinc/34/24/44/938342444.db2.gz VHPUWHROYGHZAB-SJORKVTESA-N 0 3 374.529 1.948 20 10 FDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804415923 938435353 /nfs/dbraw/zinc/43/53/53/938435353.db2.gz JGRFDFFLEILBKP-GOSISDBHSA-N 0 3 360.502 1.668 20 10 FDCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000806281113 939879498 /nfs/dbraw/zinc/87/94/98/939879498.db2.gz NKOHJXBRTRRSKJ-ZDUSSCGKSA-N 0 3 370.544 1.732 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000813330634 941366408 /nfs/dbraw/zinc/36/64/08/941366408.db2.gz BLUOWFRJSJAJCQ-AWEZNQCLSA-N 0 3 357.458 1.793 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000817807063 942961443 /nfs/dbraw/zinc/96/14/43/942961443.db2.gz MZQKZLXPZHRNMG-HNNXBMFYSA-N 0 3 360.502 1.319 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cc(C)ncn3)CC2)cc1 ZINC000819189266 943469086 /nfs/dbraw/zinc/46/90/86/943469086.db2.gz QYHYZUHNQHFZSH-IBGZPJMESA-N 0 3 371.485 1.066 20 10 FDCDHN COC(=O)[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C1CC1 ZINC000844475597 948110047 /nfs/dbraw/zinc/11/00/47/948110047.db2.gz LOJWZKAGFISXSQ-RBUKOAKNSA-N 0 3 373.497 1.842 20 10 FDCDHN CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846987521 951745303 /nfs/dbraw/zinc/74/53/03/951745303.db2.gz GTEPZJBCEQDAGK-CYBMUJFWSA-N 0 3 355.460 1.320 20 10 FDCDHN CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846987521 951745307 /nfs/dbraw/zinc/74/53/07/951745307.db2.gz GTEPZJBCEQDAGK-CYBMUJFWSA-N 0 3 355.460 1.320 20 10 FDCDHN COc1c([O-])c(CN2CCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000774818659 963810504 /nfs/dbraw/zinc/81/05/04/963810504.db2.gz FNSQSFSFSIWXPH-AWEZNQCLSA-N 0 3 351.403 1.606 20 10 FDCDHN COc1c(O)c(CN2CCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000774818659 963810509 /nfs/dbraw/zinc/81/05/09/963810509.db2.gz FNSQSFSFSIWXPH-AWEZNQCLSA-N 0 3 351.403 1.606 20 10 FDCDHN CN1CCN(c2ccc(CN3CCCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000775192728 966533847 /nfs/dbraw/zinc/53/38/47/966533847.db2.gz OMZMJUFZJZHIEX-LJQANCHMSA-N 0 3 365.543 1.838 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)c3nnc(C)[nH]3)CC2)cc1 ZINC001189872735 967326578 /nfs/dbraw/zinc/32/65/78/967326578.db2.gz OTFXGVWFFDOYKU-UHFFFAOYSA-N 0 3 358.446 1.064 20 10 FDCDHN O=S(=O)(C[C@@H]1CCCO1)NC1CCN(Cc2ccccc2O)CC1 ZINC001193298489 969624027 /nfs/dbraw/zinc/62/40/27/969624027.db2.gz ZKBLSRHKUTYEBC-INIZCTEOSA-N 0 3 354.472 1.455 20 10 FDCDHN CN(CC(=O)NCc1ccco1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775647218 970761781 /nfs/dbraw/zinc/76/17/81/970761781.db2.gz RZCGQKARIIWZRP-UHFFFAOYSA-N 0 3 356.470 1.780 20 10 FDCDHN COc1ncc(/C=C\C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cn1 ZINC000775874871 973315388 /nfs/dbraw/zinc/31/53/88/973315388.db2.gz KQHWRMOYEKIJFZ-CDNLZTBQSA-N 0 3 354.410 1.854 20 10 FDCDHN CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000794804402 973980502 /nfs/dbraw/zinc/98/05/02/973980502.db2.gz DTTJNRMUFMZMIP-INIZCTEOSA-N 0 3 355.504 1.319 20 10 FDCDHN COc1cc(O)c(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1OC ZINC000776223970 975182610 /nfs/dbraw/zinc/18/26/10/975182610.db2.gz QIPJCYZQHUCXJP-FZMZJTMJSA-N 0 3 360.414 1.427 20 10 FDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849572196 977772587 /nfs/dbraw/zinc/77/25/87/977772587.db2.gz LKXFQSKNAMLLRL-KBRIMQKVSA-N 0 3 372.469 1.614 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)cc1 ZINC000852062923 979316977 /nfs/dbraw/zinc/31/69/77/979316977.db2.gz MGOHWDWDCHIBCU-WDYCEAGBSA-N 0 3 374.485 1.436 20 10 FDCDHN COCC[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000884194827 982970803 /nfs/dbraw/zinc/97/08/03/982970803.db2.gz SLFDPYFZSFOMIB-DVOMOZLQSA-N 0 3 353.438 1.419 20 10 FDCDHN C[C@H](NC(=O)C(=O)N1CCNCCC12CCC2)c1ccc(N(C)C)cc1 ZINC000884633550 983299407 /nfs/dbraw/zinc/29/94/07/983299407.db2.gz OPFAHPHRWKEQIM-HNNXBMFYSA-N 0 3 358.486 1.674 20 10 FDCDHN Cc1ccc(O)c(CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c1 ZINC000869409957 985083939 /nfs/dbraw/zinc/08/39/39/985083939.db2.gz GRLLHPYYJLIUPP-AWEZNQCLSA-N 0 3 351.447 1.772 20 10 FDCDHN COC(=O)C[C@@]1(NCc2ccc(OC)c(Cn3cccn3)c2)CCOC1 ZINC000873106825 988566500 /nfs/dbraw/zinc/56/65/00/988566500.db2.gz UORRQJYHUYIAFB-IBGZPJMESA-N 0 3 359.426 1.752 20 10 FDCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc2C1 ZINC000366349897 988638159 /nfs/dbraw/zinc/63/81/59/988638159.db2.gz YDYQACJRNCYURZ-UHFFFAOYSA-N 0 3 369.440 1.775 20 10 FDCDHN CN1CCCc2cc(CNC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)ccc21 ZINC000369031790 989020881 /nfs/dbraw/zinc/02/08/81/989020881.db2.gz XIQIFLLVNHQDCO-QZTJIDSGSA-N 0 3 358.486 1.731 20 10 FDCDHN COc1cc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c(C(C)(C)C)c1 ZINC000825732030 990293381 /nfs/dbraw/zinc/29/33/81/990293381.db2.gz NNLRSANFDNNLMP-IBGZPJMESA-N 0 3 361.442 1.872 20 10 FDCDHN O=C1[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1CC(F)(F)F ZINC000877026640 993018097 /nfs/dbraw/zinc/01/80/97/993018097.db2.gz FVKIZAFJHYHABT-MRXNPFEDSA-N 0 3 371.403 1.901 20 10 FDCDHN Cc1cc(Br)cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1[O-] ZINC000877668676 993427842 /nfs/dbraw/zinc/42/78/42/993427842.db2.gz SSCPRTRYIFJDEM-HZPDHXFCSA-N 0 3 367.243 1.948 20 10 FDCDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3cnn(C)n3)CC2)cc1 ZINC000924579570 994848794 /nfs/dbraw/zinc/84/87/94/994848794.db2.gz KYMODUIYFWWMDU-INIZCTEOSA-N 0 3 358.490 1.687 20 10 FDCDHN COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](CN4CCCCC4)C3=O)C2)cc1 ZINC000924980363 995208134 /nfs/dbraw/zinc/20/81/34/995208134.db2.gz VLGVTQISPBJWMS-AEFFLSMTSA-N 0 3 372.469 1.680 20 10 FDCDHN C[C@@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000926967406 996379522 /nfs/dbraw/zinc/37/95/22/996379522.db2.gz SSZPTMSKLOLPHE-CQSZACIVSA-N 0 3 373.428 1.957 20 10 FDCDHN CCN(CC)CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000274283392 999737578 /nfs/dbraw/zinc/73/75/78/999737578.db2.gz ZGDLDSKNKUCYKY-UHFFFAOYSA-N 0 3 365.474 1.703 20 10 FDCDHN CC1CCN(CCNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000284387045 999821830 /nfs/dbraw/zinc/82/18/30/999821830.db2.gz VLAFMHQZNOBUGD-UHFFFAOYSA-N 0 3 364.465 1.356 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000289828315 1000120956 /nfs/dbraw/zinc/12/09/56/1000120956.db2.gz UEIMCAFIRAHJNK-INIZCTEOSA-N 0 3 372.513 1.868 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccn(C)c2)N(C)C)cc1 ZINC000930237399 1002956179 /nfs/dbraw/zinc/95/61/79/1002956179.db2.gz UGBADZJLXKLXRY-GOSISDBHSA-N 0 3 371.485 1.126 20 10 FDCDHN COc1nnccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931450833 1004172707 /nfs/dbraw/zinc/17/27/07/1004172707.db2.gz DRGNKBYIBMWNMY-MRXNPFEDSA-N 0 3 358.446 1.976 20 10 FDCDHN COc1nnccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931450832 1004172874 /nfs/dbraw/zinc/17/28/74/1004172874.db2.gz DRGNKBYIBMWNMY-INIZCTEOSA-N 0 3 358.446 1.976 20 10 FDCDHN COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779144104 1007436842 /nfs/dbraw/zinc/43/68/42/1007436842.db2.gz MJAJZJJYSXTGKS-RBUKOAKNSA-N 0 3 361.486 1.591 20 10 FDCDHN CNS(=O)(=O)CCNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796359911 1009392255 /nfs/dbraw/zinc/39/22/55/1009392255.db2.gz ULGDVBDURBHFOC-UHFFFAOYSA-N 0 3 359.495 1.888 20 10 FDCDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000111373207 524276369 /nfs/dbraw/zinc/27/63/69/524276369.db2.gz WEAIEZWWDIOSPT-HNAYVOBHSA-N 0 3 369.469 1.713 20 10 FDCDHN O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000180736943 525747213 /nfs/dbraw/zinc/74/72/13/525747213.db2.gz IPLRPDGZDATTND-UHFFFAOYSA-N 0 3 352.378 1.885 20 10 FDCDHN C[C@@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034147 525793707 /nfs/dbraw/zinc/79/37/07/525793707.db2.gz UEPFDFATXYFITC-AEFFLSMTSA-N 0 3 360.502 1.336 20 10 FDCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000181043421 525796173 /nfs/dbraw/zinc/79/61/73/525796173.db2.gz JASJWUHEGWAJDM-IEBWSBKVSA-N 0 3 374.529 1.726 20 10 FDCDHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC[C@H]21 ZINC000269089762 537018436 /nfs/dbraw/zinc/01/84/36/537018436.db2.gz YUIIVXNDQPFTQJ-IUODEOHRSA-N 0 3 367.471 1.320 20 10 FDCDHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC[C@H]21 ZINC000269089762 537018439 /nfs/dbraw/zinc/01/84/39/537018439.db2.gz YUIIVXNDQPFTQJ-IUODEOHRSA-N 0 3 367.471 1.320 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C1CC1)C(C)(C)CO)cc2=O ZINC000292966144 537261717 /nfs/dbraw/zinc/26/17/17/537261717.db2.gz GDMPGOMYZJXLFH-OAHLLOKOSA-N 0 3 362.430 1.498 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000364810015 537399855 /nfs/dbraw/zinc/39/98/55/537399855.db2.gz YNUCJOBNTOBMFS-UYAOXDASSA-N 0 3 359.470 1.501 20 10 FDCDHN CN(CC[N@H+](C)Cc1cc(F)ccc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000295005607 537709866 /nfs/dbraw/zinc/70/98/66/537709866.db2.gz IZDVJPBEFUMVBN-UHFFFAOYSA-N 0 3 367.446 1.747 20 10 FDCDHN CN(CC[N@@H+](C)Cc1cc(F)ccc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000295005607 537709870 /nfs/dbraw/zinc/70/98/70/537709870.db2.gz IZDVJPBEFUMVBN-UHFFFAOYSA-N 0 3 367.446 1.747 20 10 FDCDHN COC(=O)[C@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc2O1 ZINC000595929277 552634574 /nfs/dbraw/zinc/63/45/74/552634574.db2.gz IQGQWOJGJULJGK-GOSISDBHSA-N 0 3 352.390 1.913 20 10 FDCDHN COCC[NH+](CCOC)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000286735865 675901657 /nfs/dbraw/zinc/90/16/57/675901657.db2.gz QNVTWEPYMOXYFZ-UHFFFAOYSA-N 0 3 352.431 1.297 20 10 FDCDHN CN(C)c1ccc(CNCCOCCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000280945070 675473803 /nfs/dbraw/zinc/47/38/03/675473803.db2.gz RCZSXSRHRWWRGR-UHFFFAOYSA-N 0 3 368.421 1.922 20 10 FDCDHN CN(CCC[NH+]1CCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000281607914 675535916 /nfs/dbraw/zinc/53/59/16/675535916.db2.gz DUMRZPBUTJWJSC-UHFFFAOYSA-N 0 3 355.460 1.322 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000359960315 676859116 /nfs/dbraw/zinc/85/91/16/676859116.db2.gz ZKWMVIRGTMPDLW-GTNSWQLSSA-N 0 3 367.833 1.864 20 10 FDCDHN CN1CCO[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572853 677452194 /nfs/dbraw/zinc/45/21/94/677452194.db2.gz JAWLPHASPCBPAF-RDJZCZTQSA-N 0 3 367.877 1.457 20 10 FDCDHN C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1[O-] ZINC000367780631 677495627 /nfs/dbraw/zinc/49/56/27/677495627.db2.gz DMDIALJGQMKLNF-HUUCEWRRSA-N 0 3 369.487 1.084 20 10 FDCDHN COc1cc(Cl)cc(CN2CCC(N3CCN(C)CC3=O)CC2)c1O ZINC000368836518 677502076 /nfs/dbraw/zinc/50/20/76/677502076.db2.gz YEVSFXNBSFQDNV-UHFFFAOYSA-N 0 3 367.877 1.793 20 10 FDCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1F ZINC000377578752 678566539 /nfs/dbraw/zinc/56/65/39/678566539.db2.gz BGKYLWUMGSXQKN-HUUCEWRRSA-N 0 3 350.438 1.554 20 10 FDCDHN CO[C@@]1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCSC1 ZINC000891242338 774037487 /nfs/dbraw/zinc/03/74/87/774037487.db2.gz FCMHJOGBCYVNHR-AEFFLSMTSA-N 0 3 351.516 1.994 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)N(C)C)cc1 ZINC000891246279 774084418 /nfs/dbraw/zinc/08/44/18/774084418.db2.gz BVYMOQQLFCEWTP-BEFAXECRSA-N 0 3 370.501 1.405 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)N(C)C)cc1 ZINC000891246524 774089274 /nfs/dbraw/zinc/08/92/74/774089274.db2.gz OQQYIMFBRDGXLU-OAHLLOKOSA-N 0 3 359.478 1.527 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c[nH]1 ZINC000891247071 774091174 /nfs/dbraw/zinc/09/11/74/774091174.db2.gz HCOMIXIXMGBWDR-KRWDZBQOSA-N 0 3 358.442 1.900 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)N2CCOCC2)N(C)C)cc1 ZINC000891248315 774096369 /nfs/dbraw/zinc/09/63/69/774096369.db2.gz KMOFOESPKKOTCE-SFHVURJKSA-N 0 3 362.518 1.582 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2nc3ncccn3n2)N(C)C)cc1 ZINC000891255420 774169810 /nfs/dbraw/zinc/16/98/10/774169810.db2.gz OWDFPSJPRDNQPX-INIZCTEOSA-N 0 3 367.457 1.152 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCNC(=O)C2CC2)N(C)C)cc1 ZINC000891255812 774170533 /nfs/dbraw/zinc/17/05/33/774170533.db2.gz SCKKLDVLLCBNME-GOSISDBHSA-N 0 3 360.502 1.778 20 10 FDCDHN CNS(=O)(=O)c1cccc(CNCc2ccc(OC)c(OC)c2O)c1 ZINC000892663335 788153013 /nfs/dbraw/zinc/15/30/13/788153013.db2.gz PKOURWVBIGKXDA-UHFFFAOYSA-N 0 3 366.439 1.607 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893053631 792669611 /nfs/dbraw/zinc/66/96/11/792669611.db2.gz OSVMBVPDOIDPCY-RTBURBONSA-N 0 3 360.502 1.802 20 10 FDCDHN COc1ccc(N2CCC([N@H+](C)CCCOC(=O)N=C(N)[O-])CC2)cc1 ZINC000378382079 794055290 /nfs/dbraw/zinc/05/52/90/794055290.db2.gz WPIBJYSLTBWUMX-UHFFFAOYSA-N 0 3 364.446 1.791 20 10 FDCDHN COc1ccc(N2CCC([N@@H+](C)CCCOC(=O)N=C(N)[O-])CC2)cc1 ZINC000378382079 794055299 /nfs/dbraw/zinc/05/52/99/794055299.db2.gz WPIBJYSLTBWUMX-UHFFFAOYSA-N 0 3 364.446 1.791 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000893461897 804034852 /nfs/dbraw/zinc/03/48/52/804034852.db2.gz ADYRAMFMHDGQFG-YJBOKZPZSA-N 0 3 373.501 1.418 20 10 FDCDHN Cc1ccnc(N)c1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000894383737 817994744 /nfs/dbraw/zinc/99/47/44/817994744.db2.gz AMQKVTYRPVYCSS-MRXNPFEDSA-N 0 3 353.470 1.964 20 10 FDCDHN COC(=O)c1c(CNC[C@@]2(O)CCO[C@H]2C)c2cc(F)ccc2n1C ZINC000894595812 818237035 /nfs/dbraw/zinc/23/70/35/818237035.db2.gz RFSPRIOHXSCTSU-VOJFVSQTSA-N 0 3 350.390 1.734 20 10 FDCDHN COC(=O)C1=CC[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895969238 823846457 /nfs/dbraw/zinc/84/64/57/823846457.db2.gz IXQWDLWXSLIBBJ-WMZOPIPTSA-N 0 3 374.485 1.916 20 10 FDCDHN CC[C@H](C)[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(N)=O ZINC000899097479 845760313 /nfs/dbraw/zinc/76/03/13/845760313.db2.gz BAHCTTVAQVIZTE-JQFCIGGWSA-N 0 3 363.506 1.555 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2nncn2C)N(C)C)cc1 ZINC000899101495 845773548 /nfs/dbraw/zinc/77/35/48/845773548.db2.gz IMNBMCULYKBMCP-INIZCTEOSA-N 0 3 359.478 1.325 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@]23CCOC3=O)N(C)C)cc1 ZINC000899101517 845773633 /nfs/dbraw/zinc/77/36/33/845773633.db2.gz ISFHETRAJYNOHO-FXAWDEMLSA-N 0 3 374.485 1.846 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@]3(CNC(=O)C3)C2)N(C)C)cc1 ZINC000899104183 845777257 /nfs/dbraw/zinc/77/72/57/845777257.db2.gz QMCOQLKUAJTUMR-PXNSSMCTSA-N 0 3 373.501 1.277 20 10 FDCDHN CC1CC(CN2C[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@@H](O)C2)C1 ZINC001084108967 913453677 /nfs/dbraw/zinc/45/36/77/913453677.db2.gz NTWSZLBCTXXVCW-TUHYSUIHSA-N 0 3 359.430 1.670 20 10 FDCDHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000764000345 901947025 /nfs/dbraw/zinc/94/70/25/901947025.db2.gz XJEULJSEKUAMKN-VQIMIIECSA-N 0 3 358.486 1.090 20 10 FDCDHN NC(=O)c1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330815 920985425 /nfs/dbraw/zinc/98/54/25/920985425.db2.gz OQEPDPHMIBHZCJ-UHFFFAOYSA-N 0 3 373.478 1.310 20 10 FDCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000746148424 927640064 /nfs/dbraw/zinc/64/00/64/927640064.db2.gz WTCZOKSZMNIYJR-JZXOWHBKSA-N 0 3 372.513 1.877 20 10 FDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000787750392 932385346 /nfs/dbraw/zinc/38/53/46/932385346.db2.gz GUWKYBLZIBALJR-QGZVFWFLSA-N 0 3 372.513 1.894 20 10 FDCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)N1CCCCC1 ZINC000788939634 932899744 /nfs/dbraw/zinc/89/97/44/932899744.db2.gz VHBHWOKZGVALED-QGZVFWFLSA-N 0 3 372.513 1.894 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000804732649 938556845 /nfs/dbraw/zinc/55/68/45/938556845.db2.gz WOCIJWWSLJVJLO-PBHICJAKSA-N 0 3 358.486 1.530 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000804731892 938557737 /nfs/dbraw/zinc/55/77/37/938557737.db2.gz YCAQBIZDRVLRMY-KRWDZBQOSA-N 0 3 358.486 1.312 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3occc3C)CC2)cc1 ZINC000819329335 943529322 /nfs/dbraw/zinc/52/93/22/943529322.db2.gz UJHNOJAEBFHXGN-GOSISDBHSA-N 0 3 359.470 1.869 20 10 FDCDHN CCN1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000823548723 945844195 /nfs/dbraw/zinc/84/41/95/945844195.db2.gz UZLTZKIKCSOGTP-UHFFFAOYSA-N 0 3 360.502 1.885 20 10 FDCDHN CN1CCN(c2ccc(CN3CCCC[C@H]3CS(C)(=O)=O)cc2)CC1 ZINC000824914146 946856207 /nfs/dbraw/zinc/85/62/07/946856207.db2.gz NBJGEQWSFIOMNZ-IBGZPJMESA-N 0 3 365.543 1.838 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCNC[C@@H]2c2cccnc2)cc1 ZINC000844224665 947858265 /nfs/dbraw/zinc/85/82/65/947858265.db2.gz TUQYIWOCZHFOGA-HXUWFJFHSA-N 0 3 367.497 1.753 20 10 FDCDHN Oc1cc(O)c(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)c(O)c1 ZINC001144509106 949784686 /nfs/dbraw/zinc/78/46/86/949784686.db2.gz LFDQWKQWUQMKDS-CDHAZOANSA-N 0 3 373.409 1.652 20 10 FDCDHN O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001144852843 951224839 /nfs/dbraw/zinc/22/48/39/951224839.db2.gz LKEVCRSPMPGYEI-AWEZNQCLSA-N 0 3 363.508 1.628 20 10 FDCDHN C[C@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775257335 967016826 /nfs/dbraw/zinc/01/68/26/967016826.db2.gz HLSYREXCKVRVRO-HNNXBMFYSA-N 0 3 374.485 1.942 20 10 FDCDHN CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000794804405 973980572 /nfs/dbraw/zinc/98/05/72/973980572.db2.gz DTTJNRMUFMZMIP-MRXNPFEDSA-N 0 3 355.504 1.319 20 10 FDCDHN CNS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000865707638 974432849 /nfs/dbraw/zinc/43/28/49/974432849.db2.gz UNRRVIWMMSCXSM-UHFFFAOYSA-N 0 3 367.265 1.192 20 10 FDCDHN COCCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852126545 979368974 /nfs/dbraw/zinc/36/89/74/979368974.db2.gz CWQRWRIDTMQHTM-HOTGVXAUSA-N 0 3 362.474 1.294 20 10 FDCDHN C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883143228 981978219 /nfs/dbraw/zinc/97/82/19/981978219.db2.gz FCTCYVQBJDQNFJ-INIZCTEOSA-N 0 3 356.474 1.523 20 10 FDCDHN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2CNCCO2)CCCC1 ZINC000653163160 1014923172 /nfs/dbraw/zinc/92/31/72/1014923172.db2.gz JMXBBLQBLPHEHR-OAHLLOKOSA-N 0 3 357.454 1.633 20 10 FDCDHN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC[NH+](C)CC1 ZINC000861894621 983979060 /nfs/dbraw/zinc/97/90/60/983979060.db2.gz HHYGZZRPLHSXLS-UHFFFAOYSA-N 0 3 355.460 1.320 20 10 FDCDHN C[NH+](C)CCN1CCN(Cc2c([O-])cccc2Br)CC1=O ZINC000862401724 984376458 /nfs/dbraw/zinc/37/64/58/984376458.db2.gz SNIYACLDTCGPLM-UHFFFAOYSA-N 0 3 356.264 1.361 20 10 FDCDHN COc1ccc(CNCCN2CCCS2(=O)=O)cc1Cn1cccn1 ZINC000873044476 988471970 /nfs/dbraw/zinc/47/19/70/988471970.db2.gz OJQVFBDRPMXDIB-UHFFFAOYSA-N 0 3 364.471 1.065 20 10 FDCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297966613 989801790 /nfs/dbraw/zinc/80/17/90/989801790.db2.gz VPLUSZPWRUVDEW-MOPGFXCFSA-N 0 3 372.513 1.796 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3nnc[nH]3)cc2F)CC1 ZINC000374744681 992935155 /nfs/dbraw/zinc/93/51/55/992935155.db2.gz SUOZQWKQSSXELC-LSDHHAIUSA-N 0 3 372.448 1.506 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3nc[nH]n3)cc2F)CC1 ZINC000374744681 992935159 /nfs/dbraw/zinc/93/51/59/992935159.db2.gz SUOZQWKQSSXELC-LSDHHAIUSA-N 0 3 372.448 1.506 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)c(OC)c1 ZINC000877227110 993118092 /nfs/dbraw/zinc/11/80/92/993118092.db2.gz CPIWVLOHRKRYQK-GOSISDBHSA-N 0 3 369.465 1.922 20 10 FDCDHN O=S1(=O)CCCC[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877304668 993201252 /nfs/dbraw/zinc/20/12/52/993201252.db2.gz MGDNFMSGBPUJSC-SFHVURJKSA-N 0 3 352.500 1.705 20 10 FDCDHN COc1cc(N2CCN(C[C@@]3(OC)CCOC3)CC2)cc(OC)c1OC ZINC000877346062 993234866 /nfs/dbraw/zinc/23/48/66/993234866.db2.gz NURJBBYFWSETNG-IBGZPJMESA-N 0 3 366.458 1.640 20 10 FDCDHN COc1ccc(N2CC[C@@H](NCc3ccc(S(N)(=O)=O)s3)C2)cc1 ZINC000877620356 993385643 /nfs/dbraw/zinc/38/56/43/993385643.db2.gz HMTDOWXJRDZWSW-GFCCVEGCSA-N 0 3 367.496 1.773 20 10 FDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000877680183 993437687 /nfs/dbraw/zinc/43/76/87/993437687.db2.gz SVHMLHCMPGGXHO-UWVGGRQHSA-N 0 3 373.247 1.619 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](OC)[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000877708539 993460392 /nfs/dbraw/zinc/46/03/92/993460392.db2.gz OETAMVAPCQHSCD-BEFAXECRSA-N 0 3 350.459 1.877 20 10 FDCDHN CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879653062 995136707 /nfs/dbraw/zinc/13/67/07/995136707.db2.gz LPDIZAGDYDUXHZ-BFHYXJOUSA-N 0 3 354.472 1.467 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(C1)CCOCC3)cc2=O ZINC000266602147 999198560 /nfs/dbraw/zinc/19/85/60/999198560.db2.gz DYLIPOLMBZUECB-UHFFFAOYSA-N 0 3 360.414 1.614 20 10 FDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284353140 999814083 /nfs/dbraw/zinc/81/40/83/999814083.db2.gz YSOXUWBRCJPJRE-UHFFFAOYSA-N 0 3 360.502 1.702 20 10 FDCDHN CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929328333 1001940985 /nfs/dbraw/zinc/94/09/85/1001940985.db2.gz RLJUSTVMDLKZEX-RDJZCZTQSA-N 0 3 364.490 1.013 20 10 FDCDHN COc1nn(C)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931052448 1003820070 /nfs/dbraw/zinc/82/00/70/1003820070.db2.gz CVSXKRJYWBHQCY-MRXNPFEDSA-N 0 3 360.462 1.919 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC23CCC3)N(C)C)cc1 ZINC000931215575 1003966706 /nfs/dbraw/zinc/96/67/06/1003966706.db2.gz QPEIPVNIWUCHRD-IRXDYDNUSA-N 0 3 358.486 1.530 20 10 FDCDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000271356661 674336220 /nfs/dbraw/zinc/33/62/20/674336220.db2.gz IFYHXBPMTMBBOX-IUODEOHRSA-N 0 3 369.487 1.566 20 10 FDCDHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000271356661 674336224 /nfs/dbraw/zinc/33/62/24/674336224.db2.gz IFYHXBPMTMBBOX-IUODEOHRSA-N 0 3 369.487 1.566 20 10 FDCDHN NC(=O)NC(=O)OCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000271373248 674337794 /nfs/dbraw/zinc/33/77/94/674337794.db2.gz NKZKUNNEPDYOBE-CQSZACIVSA-N 0 3 351.403 1.568 20 10 FDCDHN NC(=O)NC(=O)OCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000271373248 674337792 /nfs/dbraw/zinc/33/77/92/674337792.db2.gz NKZKUNNEPDYOBE-CQSZACIVSA-N 0 3 351.403 1.568 20 10 FDCDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055408213 523808425 /nfs/dbraw/zinc/80/84/25/523808425.db2.gz YOJATTVIXIMADV-CHWSQXEVSA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055408213 523808429 /nfs/dbraw/zinc/80/84/29/523808429.db2.gz YOJATTVIXIMADV-CHWSQXEVSA-N 0 3 369.487 1.614 20 10 FDCDHN CCOc1cccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1[O-] ZINC000151267928 524546938 /nfs/dbraw/zinc/54/69/38/524546938.db2.gz SYPCMGHFRDXWSE-UHFFFAOYSA-N 0 3 354.472 1.837 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160657234 524940277 /nfs/dbraw/zinc/94/02/77/524940277.db2.gz OKKVVBFCQCDWTC-AQDCRGGLSA-N 0 3 373.497 1.499 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160657112 524940604 /nfs/dbraw/zinc/94/06/04/524940604.db2.gz OKKVVBFCQCDWTC-ZGBFETHSSA-N 0 3 373.497 1.499 20 10 FDCDHN C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000179894686 525641954 /nfs/dbraw/zinc/64/19/54/525641954.db2.gz GCJULWSSKCYFRJ-HNNXBMFYSA-N 0 3 355.442 1.572 20 10 FDCDHN COCCN(C)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000171214210 525903161 /nfs/dbraw/zinc/90/31/61/525903161.db2.gz SKIIFMWWDSASCS-UHFFFAOYSA-N 0 3 364.490 1.243 20 10 FDCDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1[O-] ZINC000183611794 536015260 /nfs/dbraw/zinc/01/52/60/536015260.db2.gz UTOMQOCQPHWESJ-ZDUSSCGKSA-N 0 3 364.471 1.630 20 10 FDCDHN CN(CCNCc1cc2c(cc1O)OCO2)S(=O)(=O)c1cccs1 ZINC000269369633 537020127 /nfs/dbraw/zinc/02/01/27/537020127.db2.gz SIQPFLLQBBBBBY-UHFFFAOYSA-N 0 3 370.452 1.593 20 10 FDCDHN CCCN(CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccccc1O ZINC000264958814 537150630 /nfs/dbraw/zinc/15/06/30/537150630.db2.gz YSWHTQNTLAYEQP-UHFFFAOYSA-N 0 3 363.502 1.831 20 10 FDCDHN CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC000283076003 537351485 /nfs/dbraw/zinc/35/14/85/537351485.db2.gz FVGBZKWCIXQRDO-MSOLQXFVSA-N 0 3 370.497 1.380 20 10 FDCDHN CCCN(CC[NH+](CC)CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274144705 537520252 /nfs/dbraw/zinc/52/02/52/537520252.db2.gz XZLVOVDSNWUDMC-UHFFFAOYSA-N 0 3 371.503 1.958 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3[C@@H]3CCCO3)CC2)cc1 ZINC000284809206 537567008 /nfs/dbraw/zinc/56/70/08/537567008.db2.gz PCZIOJCLNFEVFJ-PMACEKPBSA-N 0 3 373.497 1.987 20 10 FDCDHN C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000293860763 537610725 /nfs/dbraw/zinc/61/07/25/537610725.db2.gz DSYLKEUEYLFMKG-KRWDZBQOSA-N 0 3 367.471 1.322 20 10 FDCDHN C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000293860763 537610729 /nfs/dbraw/zinc/61/07/29/537610729.db2.gz DSYLKEUEYLFMKG-KRWDZBQOSA-N 0 3 367.471 1.322 20 10 FDCDHN O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000285397900 537701277 /nfs/dbraw/zinc/70/12/77/537701277.db2.gz DXHZLIFMKJSISM-UHFFFAOYSA-N 0 3 354.362 1.897 20 10 FDCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)N(C)C1CC1 ZINC000285591106 537734928 /nfs/dbraw/zinc/73/49/28/537734928.db2.gz ASVICRKJVPRNTL-AWEZNQCLSA-N 0 3 358.486 1.284 20 10 FDCDHN Cc1cc(O)c(CN2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)cc1C ZINC000372814568 538038090 /nfs/dbraw/zinc/03/80/90/538038090.db2.gz ZROXQDOHWYWGQZ-QGZVFWFLSA-N 0 3 352.500 1.750 20 10 FDCDHN CCCCN(C)CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000564480029 546927730 /nfs/dbraw/zinc/92/77/30/546927730.db2.gz MKRVIUJDPWAWOU-UHFFFAOYSA-N 0 3 358.486 1.951 20 10 FDCDHN COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210252 608502067 /nfs/dbraw/zinc/50/20/67/608502067.db2.gz KIBMRXPLAQAYPI-DIFFPNOSSA-N 0 3 355.398 1.965 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277591891 674974160 /nfs/dbraw/zinc/97/41/60/674974160.db2.gz SLWBVMSQTSDGRH-CQSZACIVSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277591891 674974162 /nfs/dbraw/zinc/97/41/62/674974162.db2.gz SLWBVMSQTSDGRH-CQSZACIVSA-N 0 3 367.471 1.510 20 10 FDCDHN COc1cc(Br)cc(CN(C)CCN2CCOCC2)c1O ZINC000092974689 671519544 /nfs/dbraw/zinc/51/95/44/671519544.db2.gz KQYLSDWKIQONDL-UHFFFAOYSA-N 0 3 359.264 1.927 20 10 FDCDHN C[C@@H](NCCNS(=O)(=O)Cc1ccon1)c1ccc(N(C)C)cc1 ZINC000162355734 672017546 /nfs/dbraw/zinc/01/75/46/672017546.db2.gz CJEIVEQOQVELFU-CYBMUJFWSA-N 0 3 352.460 1.511 20 10 FDCDHN COC(=O)CNC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264758947 672924496 /nfs/dbraw/zinc/92/44/96/672924496.db2.gz YHTYLBFFUYOKHY-HNNXBMFYSA-N 0 3 350.415 1.053 20 10 FDCDHN COC(=O)CNC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264758947 672924497 /nfs/dbraw/zinc/92/44/97/672924497.db2.gz YHTYLBFFUYOKHY-HNNXBMFYSA-N 0 3 350.415 1.053 20 10 FDCDHN CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000266604980 673157015 /nfs/dbraw/zinc/15/70/15/673157015.db2.gz VZDZMWYDBRUQGW-ZDUSSCGKSA-N 0 3 369.487 1.568 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366484689 677445360 /nfs/dbraw/zinc/44/53/60/677445360.db2.gz ULIAOOQGWXDQGW-VXGBXAGGSA-N 0 3 353.216 1.558 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366484689 677445361 /nfs/dbraw/zinc/44/53/61/677445361.db2.gz ULIAOOQGWXDQGW-VXGBXAGGSA-N 0 3 353.216 1.558 20 10 FDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200804 677551791 /nfs/dbraw/zinc/55/17/91/677551791.db2.gz CZKTUUPLVBXGJV-WBVHZDCISA-N 0 3 368.499 1.970 20 10 FDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200804 677551792 /nfs/dbraw/zinc/55/17/92/677551792.db2.gz CZKTUUPLVBXGJV-WBVHZDCISA-N 0 3 368.499 1.970 20 10 FDCDHN C/C(=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CN1CCOCC1 ZINC000891245590 774080772 /nfs/dbraw/zinc/08/07/72/774080772.db2.gz HHWVHIJZBYVWNI-NMIWIPSGSA-N 0 3 374.529 1.750 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn3c2OCCC3)N(C)C)cc1 ZINC000891246259 774082698 /nfs/dbraw/zinc/08/26/98/774082698.db2.gz BNUZWTSICOBSKZ-KRWDZBQOSA-N 0 3 357.458 1.764 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn3c(n2)COCC3)N(C)C)cc1 ZINC000891245978 774083118 /nfs/dbraw/zinc/08/31/18/774083118.db2.gz LCVPVQASJDPFGS-QGZVFWFLSA-N 0 3 357.458 1.512 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)N(C)C)cc1 ZINC000891247382 774093765 /nfs/dbraw/zinc/09/37/65/774093765.db2.gz JSAMVFMQKMEUNR-JKSUJKDBSA-N 0 3 363.506 1.555 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CCN2C(=O)CCC2=O)N(C)C)cc1 ZINC000891252140 774125079 /nfs/dbraw/zinc/12/50/79/774125079.db2.gz GWDBXEPISMZPSJ-INIZCTEOSA-N 0 3 360.458 1.011 20 10 FDCDHN COC(=O)N[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891251541 774133893 /nfs/dbraw/zinc/13/38/93/774133893.db2.gz GFJXKQDQTKICOE-IRXDYDNUSA-N 0 3 364.490 1.852 20 10 FDCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)N1CCN(C)CC1 ZINC000891254269 774150462 /nfs/dbraw/zinc/15/04/62/774150462.db2.gz XZVWZHIWDJXBSV-APWZRJJASA-N 0 3 361.534 1.107 20 10 FDCDHN CN1CCN(c2ccc(CNc3nccc4c3OCC(=O)N4)cc2)CC1 ZINC001167427073 774586413 /nfs/dbraw/zinc/58/64/13/774586413.db2.gz WKYFAUJMGHLISQ-UHFFFAOYSA-N 0 3 353.426 1.776 20 10 FDCDHN NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)CC2 ZINC000662602856 806871813 /nfs/dbraw/zinc/87/18/13/806871813.db2.gz SDWZOUMYACUXHZ-UHFFFAOYSA-N 0 3 357.435 1.183 20 10 FDCDHN O=C(NCCCSc1nccs1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893646820 808586652 /nfs/dbraw/zinc/58/66/52/808586652.db2.gz WFPQPPCLJOTPKM-ZIAGYGMSSA-N 0 3 370.544 1.866 20 10 FDCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000280108792 811721861 /nfs/dbraw/zinc/72/18/61/811721861.db2.gz NNYUZCQPLFQLFC-WMZOPIPTSA-N 0 3 361.486 1.674 20 10 FDCDHN CCN(C)C(=O)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894383915 817997260 /nfs/dbraw/zinc/99/72/60/817997260.db2.gz XWAVLPUWWGTBDT-WMLDXEAASA-N 0 3 363.506 1.521 20 10 FDCDHN CCN(C)C(=O)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894383917 817997939 /nfs/dbraw/zinc/99/79/39/817997939.db2.gz XWAVLPUWWGTBDT-YOEHRIQHSA-N 0 3 363.506 1.521 20 10 FDCDHN COC(=O)NCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895252627 822273096 /nfs/dbraw/zinc/27/30/96/822273096.db2.gz AGEGFSPYXZUKJU-HNNXBMFYSA-N 0 3 351.451 1.011 20 10 FDCDHN O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000895771973 822736248 /nfs/dbraw/zinc/73/62/48/822736248.db2.gz AVAYVOMARGGPDE-QGZVFWFLSA-N 0 3 363.433 1.047 20 10 FDCDHN COc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCCN3CCO)cc1OC ZINC000897222258 827186520 /nfs/dbraw/zinc/18/65/20/827186520.db2.gz SRIVQQRNLFWADR-STQMWFEESA-N 0 3 351.403 1.647 20 10 FDCDHN CCOc1ccc(CN2CCC(N3CCCS3(=O)=O)CC2)c(O)c1 ZINC000840955116 828130157 /nfs/dbraw/zinc/13/01/57/828130157.db2.gz QVCDGHNUMKJLLQ-UHFFFAOYSA-N 0 3 354.472 1.791 20 10 FDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898088454 840740019 /nfs/dbraw/zinc/74/00/19/840740019.db2.gz OWTHKCMWOAHWCB-JTQLQIEISA-N 0 3 363.439 1.505 20 10 FDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000898354729 840989750 /nfs/dbraw/zinc/98/97/50/840989750.db2.gz UDODFYKYYNJCPC-AAEUAGOBSA-N 0 3 358.822 1.593 20 10 FDCDHN CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000898354731 840990167 /nfs/dbraw/zinc/99/01/67/840990167.db2.gz UDODFYKYYNJCPC-WCQYABFASA-N 0 3 358.822 1.593 20 10 FDCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1[O-] ZINC000927025878 843327850 /nfs/dbraw/zinc/32/78/50/843327850.db2.gz OWJHKEVZNRYNFT-ONGXEEELSA-N 0 3 366.277 1.519 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCOC[C@@H]2CCO)N(C)C)cc1 ZINC000899096840 845758548 /nfs/dbraw/zinc/75/85/48/845758548.db2.gz VEDODAKPQGVDLN-ROUUACIJSA-N 0 3 364.490 1.148 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](n3cncn3)C2)N(C)C)cc1 ZINC000899101172 845798826 /nfs/dbraw/zinc/79/88/26/845798826.db2.gz FRGDJDSBVSAZSU-ROUUACIJSA-N 0 3 371.489 1.603 20 10 FDCDHN CS(=O)(=O)C[C@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000922825086 879384806 /nfs/dbraw/zinc/38/48/06/879384806.db2.gz ZBWPNLYIKQANKH-LJQANCHMSA-N 0 3 374.506 1.744 20 10 FDCDHN CS(=O)(=O)N1CC(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000929969066 883213009 /nfs/dbraw/zinc/21/30/09/883213009.db2.gz IVISUBWISBKSNG-UHFFFAOYSA-N 0 3 350.440 1.879 20 10 FDCDHN CS(=O)(=O)N1CC(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000929969066 883213026 /nfs/dbraw/zinc/21/30/26/883213026.db2.gz IVISUBWISBKSNG-UHFFFAOYSA-N 0 3 350.440 1.879 20 10 FDCDHN COC(=O)CCN1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000154740298 884579270 /nfs/dbraw/zinc/57/92/70/884579270.db2.gz JCGWSCXNMWWEMJ-KRWDZBQOSA-N 0 3 361.486 1.592 20 10 FDCDHN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CN2CCN1CCC2 ZINC000763933054 900779214 /nfs/dbraw/zinc/77/92/14/900779214.db2.gz XPSDBRJDNRPHQQ-GOSISDBHSA-N 0 3 360.527 1.246 20 10 FDCDHN COc1cc(Br)cc(CN[C@H]2CCCS(=O)(=O)C2)c1O ZINC000735926011 924676253 /nfs/dbraw/zinc/67/62/53/924676253.db2.gz CXNUOHORBNOLGO-NSHDSACASA-N 0 3 364.261 1.830 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)CN3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000787321794 932261441 /nfs/dbraw/zinc/26/14/41/932261441.db2.gz KDGAAYRKZYFCNQ-CALCHBBNSA-N 0 3 372.513 1.844 20 10 FDCDHN CC1CCN(CCNC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000787656406 932359534 /nfs/dbraw/zinc/35/95/34/932359534.db2.gz YYQFOIXWCNVQBE-UHFFFAOYSA-N 0 3 370.544 1.590 20 10 FDCDHN O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000788387074 932689679 /nfs/dbraw/zinc/68/96/79/932689679.db2.gz MPWZREJGXFIMMG-QGZVFWFLSA-N 0 3 350.484 1.881 20 10 FDCDHN C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000791060350 933853441 /nfs/dbraw/zinc/85/34/41/933853441.db2.gz LEGVGRIQZKDDQS-OAHLLOKOSA-N 0 3 369.487 1.614 20 10 FDCDHN C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000791060350 933853449 /nfs/dbraw/zinc/85/34/49/933853449.db2.gz LEGVGRIQZKDDQS-OAHLLOKOSA-N 0 3 369.487 1.614 20 10 FDCDHN COc1cnccc1N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000794339503 938389271 /nfs/dbraw/zinc/38/92/71/938389271.db2.gz OGFHMCDKRDSTEJ-HWKANZROSA-N 0 3 355.394 1.863 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000807096680 940247995 /nfs/dbraw/zinc/24/79/95/940247995.db2.gz HSEVPJBJYWLCIX-LJQANCHMSA-N 0 3 372.513 1.764 20 10 FDCDHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000807678552 940453886 /nfs/dbraw/zinc/45/38/86/940453886.db2.gz YDWKPTXYDNTSBQ-INIZCTEOSA-N 0 3 360.502 1.873 20 10 FDCDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000817706072 942900853 /nfs/dbraw/zinc/90/08/53/942900853.db2.gz OHEFAWSEWKUSNA-GOSISDBHSA-N 0 3 358.486 1.456 20 10 FDCDHN CCN1CCN(CCC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000819584370 943635037 /nfs/dbraw/zinc/63/50/37/943635037.db2.gz IFFXMIHKWCSWFM-SFHVURJKSA-N 0 3 374.529 1.665 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000822539911 945050914 /nfs/dbraw/zinc/05/09/14/945050914.db2.gz QLYPSPWUQGCLDG-FUHWJXTLSA-N 0 3 358.486 1.264 20 10 FDCDHN CN1CCC(N(C(=O)CN2C(=O)CSC2=S)C2CCCC2)CC1 ZINC001144850355 951217945 /nfs/dbraw/zinc/21/79/45/951217945.db2.gz SNLVEXQHUSGOPN-UHFFFAOYSA-N 0 3 355.529 1.712 20 10 FDCDHN O=S(=O)(Cc1cccnc1)NC1CCN(Cc2ccccc2O)CC1 ZINC001197487388 972263346 /nfs/dbraw/zinc/26/33/46/972263346.db2.gz JCHFRQLTCHRGOZ-UHFFFAOYSA-N 0 3 361.467 1.871 20 10 FDCDHN CC(C)CNC(=O)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257392 967017431 /nfs/dbraw/zinc/01/74/31/967017431.db2.gz JCYHZWHWKQENTR-HNNXBMFYSA-N 0 3 362.474 1.656 20 10 FDCDHN C[C@@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000775838328 972962814 /nfs/dbraw/zinc/96/28/14/972962814.db2.gz XCJUHKSNXYHTMX-CYBMUJFWSA-N 0 3 351.476 1.115 20 10 FDCDHN COC(=O)CCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001200006156 974646257 /nfs/dbraw/zinc/64/62/57/974646257.db2.gz SFQXARHIOXRQPG-UHFFFAOYSA-N 0 3 351.472 1.384 20 10 FDCDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000849565366 977760259 /nfs/dbraw/zinc/76/02/59/977760259.db2.gz TUBHZMIPOCCHAZ-JKSUJKDBSA-N 0 3 358.442 1.226 20 10 FDCDHN CCC[C@@H](N)c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881022645 979589927 /nfs/dbraw/zinc/58/99/27/979589927.db2.gz CNHIMPDFCTWQBJ-QGZVFWFLSA-N 0 3 372.473 1.435 20 10 FDCDHN C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000883370560 982098104 /nfs/dbraw/zinc/09/81/04/982098104.db2.gz NUXAGTKFDWHWJL-RDJZCZTQSA-N 0 3 351.466 1.979 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000858548476 982108782 /nfs/dbraw/zinc/10/87/82/982108782.db2.gz MIGSAQHLNPWIER-ZYHUDNBSSA-N 0 3 359.264 1.881 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(c3nc[nH]n3)CC1)cc2=O ZINC000365933224 988238657 /nfs/dbraw/zinc/23/86/57/988238657.db2.gz CCOYMKAZXAFGLK-UHFFFAOYSA-N 0 3 371.401 1.109 20 10 FDCDHN COc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cn1cccn1 ZINC000873133792 988596745 /nfs/dbraw/zinc/59/67/45/988596745.db2.gz KFLVEFUAJBZPAW-MRXNPFEDSA-N 0 3 364.471 1.064 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CNC2(CO)Cc3ccccc3C2)cc1 ZINC000363253611 989036334 /nfs/dbraw/zinc/03/63/34/989036334.db2.gz PPBCJTWWIBWDPA-UHFFFAOYSA-N 0 3 367.493 1.831 20 10 FDCDHN COC[C@]1(C)CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000296975894 989455255 /nfs/dbraw/zinc/45/52/55/989455255.db2.gz YWNGNXNXVNCTAB-HXUWFJFHSA-N 0 3 361.486 1.702 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)cc1F ZINC000875141579 990954555 /nfs/dbraw/zinc/95/45/55/990954555.db2.gz RRAAJJCMUOJWEU-UHFFFAOYSA-N 0 3 364.465 1.451 20 10 FDCDHN O[C@H]1CCC[C@@H]1N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876687213 992795480 /nfs/dbraw/zinc/79/54/80/992795480.db2.gz GLNPYKYJBQVRSD-SFTDATJTSA-N 0 3 359.514 1.679 20 10 FDCDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000876729203 992842947 /nfs/dbraw/zinc/84/29/47/992842947.db2.gz HHZGDVWDDVJZDC-KRWDZBQOSA-N 0 3 367.515 1.301 20 10 FDCDHN COC[C@]1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCCCN1 ZINC000876732637 992846789 /nfs/dbraw/zinc/84/67/89/992846789.db2.gz BMMPFIDLJGUCJM-FQEVSTJZSA-N 0 3 361.486 1.893 20 10 FDCDHN COc1ccc(N2CC[C@@H](NCc3cccc(S(N)(=O)=O)c3)C2)cc1 ZINC000877621416 993385812 /nfs/dbraw/zinc/38/58/12/993385812.db2.gz WNWDRCMLWRPXFG-OAHLLOKOSA-N 0 3 361.467 1.711 20 10 FDCDHN CCS(=O)(=O)C1(CNCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877637471 993398369 /nfs/dbraw/zinc/39/83/69/993398369.db2.gz IQPPBZQPZZHAKX-UHFFFAOYSA-N 0 3 352.500 1.705 20 10 FDCDHN CCCCN(C(=O)C[NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879653296 995136571 /nfs/dbraw/zinc/13/65/71/995136571.db2.gz NFHGXJUTOLRWFH-LSDHHAIUSA-N 0 3 368.499 1.859 20 10 FDCDHN CCCCN(C(=O)CN[C@@H](C)c1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000879653296 995136576 /nfs/dbraw/zinc/13/65/76/995136576.db2.gz NFHGXJUTOLRWFH-LSDHHAIUSA-N 0 3 368.499 1.859 20 10 FDCDHN CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879653064 995137554 /nfs/dbraw/zinc/13/75/54/995137554.db2.gz LPDIZAGDYDUXHZ-MELADBBJSA-N 0 3 354.472 1.467 20 10 FDCDHN CC[C@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000926964359 996376527 /nfs/dbraw/zinc/37/65/27/996376527.db2.gz JWJFQMJVCONKFF-KRWDZBQOSA-N 0 3 355.438 1.866 20 10 FDCDHN CC[C@H](NCC(=O)NCC(=O)NCc1ccccc1)c1ccccc1O ZINC000926964359 996376533 /nfs/dbraw/zinc/37/65/33/996376533.db2.gz JWJFQMJVCONKFF-KRWDZBQOSA-N 0 3 355.438 1.866 20 10 FDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000284097343 999776558 /nfs/dbraw/zinc/77/65/58/999776558.db2.gz SHYAXJDJMJMCPU-QGZVFWFLSA-N 0 3 370.497 1.670 20 10 FDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000284856067 999873910 /nfs/dbraw/zinc/87/39/10/999873910.db2.gz FATOJZMWZMJPTC-UHFFFAOYSA-N 0 3 360.502 1.700 20 10 FDCDHN CC[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000931002103 1003757930 /nfs/dbraw/zinc/75/79/30/1003757930.db2.gz VYRTXUGALMGONE-QZTJIDSGSA-N 0 3 360.502 1.776 20 10 FDCDHN Cc1nccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000892193162 782107367 /nfs/dbraw/zinc/10/73/67/782107367.db2.gz VTGCDPBDZNHAFK-SFHVURJKSA-N 0 3 356.474 1.953 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCN(C(C)C)CC3)CC2)cc1 ZINC000069081992 521797419 /nfs/dbraw/zinc/79/74/19/521797419.db2.gz SFNORSRHRXHAFG-UHFFFAOYSA-N 0 3 374.529 1.760 20 10 FDCDHN CC1(C)CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(C)(C)[NH2+]1 ZINC000055160492 523756909 /nfs/dbraw/zinc/75/69/09/523756909.db2.gz MFDIJCZVLSCUDQ-UHFFFAOYSA-N 0 3 369.487 1.803 20 10 FDCDHN CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000156536137 524095314 /nfs/dbraw/zinc/09/53/14/524095314.db2.gz MXTJNTKDHVFVQK-ZBFHGGJFSA-N 0 3 356.488 1.921 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083442447 524256612 /nfs/dbraw/zinc/25/66/12/524256612.db2.gz SWNVYIPJXCQKGE-UHFFFAOYSA-N 0 3 356.474 1.709 20 10 FDCDHN CC1(C)[C@@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC000172959554 524292126 /nfs/dbraw/zinc/29/21/26/524292126.db2.gz JBTUREHZRSQHCB-IYBDPMFKSA-N 0 3 361.461 1.866 20 10 FDCDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)Cc1ccccc1O ZINC000102049088 525271901 /nfs/dbraw/zinc/27/19/01/525271901.db2.gz KEPRBJNEFUCRPC-MRXNPFEDSA-N 0 3 362.474 1.476 20 10 FDCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1[O-] ZINC000181346964 525842310 /nfs/dbraw/zinc/84/23/10/525842310.db2.gz SDCFZPIUYIPFBZ-MRXNPFEDSA-N 0 3 367.877 1.377 20 10 FDCDHN COc1ccc(O)c(CN[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000184981670 536194873 /nfs/dbraw/zinc/19/48/73/536194873.db2.gz XVTGSMMIWQQHBK-LJQANCHMSA-N 0 3 370.449 1.961 20 10 FDCDHN COCCOC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000266597927 536908012 /nfs/dbraw/zinc/90/80/12/536908012.db2.gz PFJBIRVUKSDQLI-GOSISDBHSA-N 0 3 363.502 1.696 20 10 FDCDHN CCCCN(CC(=O)NC(=O)N[C@H](C)COC)Cc1ccccc1O ZINC000282338934 537317939 /nfs/dbraw/zinc/31/79/39/537317939.db2.gz BSWZGFNCLPYHNM-CQSZACIVSA-N 0 3 351.447 1.855 20 10 FDCDHN CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278907781 537343576 /nfs/dbraw/zinc/34/35/76/537343576.db2.gz SCGQPJFFTNTREH-AWEZNQCLSA-N 0 3 366.462 1.672 20 10 FDCDHN CN(C)Cc1cccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000283595239 537383135 /nfs/dbraw/zinc/38/31/35/537383135.db2.gz UHNMRQMBOXVVQL-UHFFFAOYSA-N 0 3 368.481 1.747 20 10 FDCDHN O=C(CNC[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000237685220 537637445 /nfs/dbraw/zinc/63/74/45/537637445.db2.gz FGVVBSROYXBNII-HNNXBMFYSA-N 0 3 351.422 1.047 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3OCCC[C@H]3C1)cc2=O ZINC000377140151 537956898 /nfs/dbraw/zinc/95/68/98/537956898.db2.gz BNFGUJMGDNCMGE-WFASDCNBSA-N 0 3 360.414 1.613 20 10 FDCDHN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@H]1N1CCN(C)CC1 ZINC000368037348 537972900 /nfs/dbraw/zinc/97/29/00/537972900.db2.gz JHRNJYRNOYSVCJ-BWTRYIQHSA-N 0 3 359.470 1.595 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000582981312 551288268 /nfs/dbraw/zinc/28/82/68/551288268.db2.gz DBZIBIFONHKMEG-ZDUSSCGKSA-N 0 3 356.470 1.702 20 10 FDCDHN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1=CC[N@H+](C)CC1 ZINC000272759188 674473086 /nfs/dbraw/zinc/47/30/86/674473086.db2.gz FTQSCSDCCDEOQN-NSHDSACASA-N 0 3 353.444 1.144 20 10 FDCDHN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1=CC[N@@H+](C)CC1 ZINC000272759188 674473089 /nfs/dbraw/zinc/47/30/89/674473089.db2.gz FTQSCSDCCDEOQN-NSHDSACASA-N 0 3 353.444 1.144 20 10 FDCDHN COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278349420 675125278 /nfs/dbraw/zinc/12/52/78/675125278.db2.gz MOOYXKWSSNOIGP-SZMVWBNQSA-N 0 3 353.459 1.786 20 10 FDCDHN COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278349420 675125280 /nfs/dbraw/zinc/12/52/80/675125280.db2.gz MOOYXKWSSNOIGP-SZMVWBNQSA-N 0 3 353.459 1.786 20 10 FDCDHN N[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000282424013 675628879 /nfs/dbraw/zinc/62/88/79/675628879.db2.gz DYEQRQDFFFYTRE-KRWDZBQOSA-N 0 3 351.422 1.032 20 10 FDCDHN CN(C)c1ccc(CNCCNS(=O)(=O)N(C)C)c(C(F)(F)F)c1 ZINC000298005247 676432484 /nfs/dbraw/zinc/43/24/84/676432484.db2.gz BLZSLYJNXNMPTH-UHFFFAOYSA-N 0 3 368.425 1.257 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[NH+]1CCC(C)CC1 ZINC000299489553 676537065 /nfs/dbraw/zinc/53/70/65/676537065.db2.gz FOWXEIFDFDHZLL-ZDUSSCGKSA-N 0 3 369.487 1.614 20 10 FDCDHN CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000890881788 772008194 /nfs/dbraw/zinc/00/81/94/772008194.db2.gz IQWWBBYBLPZMEJ-UHFFFAOYSA-N 0 3 357.476 1.424 20 10 FDCDHN COc1ncc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891248979 774113683 /nfs/dbraw/zinc/11/36/83/774113683.db2.gz OPOWLIBXPPPVCD-QKIXSCASSA-N 0 3 369.469 1.984 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)N(C)C)cc1 ZINC000891251243 774128662 /nfs/dbraw/zinc/12/86/62/774128662.db2.gz BCQFJULRALVDFH-WBVHZDCISA-N 0 3 361.490 1.262 20 10 FDCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)N1CCN(C)CC1 ZINC000891254272 774150225 /nfs/dbraw/zinc/15/02/25/774150225.db2.gz XZVWZHIWDJXBSV-VQIMIIECSA-N 0 3 361.534 1.107 20 10 FDCDHN Cc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(=O)[nH]c1C ZINC000891254209 774150388 /nfs/dbraw/zinc/15/03/88/774150388.db2.gz XNHZMNDLRULGIB-MRXNPFEDSA-N 0 3 357.458 1.898 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CCCNC(=O)C2CC2)N(C)C)cc1 ZINC000891255814 774170792 /nfs/dbraw/zinc/17/07/92/774170792.db2.gz SCKKLDVLLCBNME-SFHVURJKSA-N 0 3 360.502 1.778 20 10 FDCDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894076891 809897472 /nfs/dbraw/zinc/89/74/72/809897472.db2.gz RAFNMKXUUBHRTD-UKRRQHHQSA-N 0 3 355.431 1.255 20 10 FDCDHN COC(=O)[C@H]1[C@@H](CNCc2ccc(N3CCC(O)CC3)c(F)c2)C1(F)F ZINC000894201991 810888272 /nfs/dbraw/zinc/88/82/72/810888272.db2.gz AMIKCYHBQIOYCT-CZUORRHYSA-N 0 3 372.387 1.931 20 10 FDCDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272476475 814719970 /nfs/dbraw/zinc/71/99/70/814719970.db2.gz QFJRJTAFQHDAAG-LOWQCSRCSA-N 0 3 361.442 1.170 20 10 FDCDHN COc1cc(N2CCN(CC3(O)CCOCC3)CC2)cc(OC)c1OC ZINC000273661606 814798963 /nfs/dbraw/zinc/79/89/63/814798963.db2.gz XYXWUWWTKLJWRQ-UHFFFAOYSA-N 0 3 366.458 1.376 20 10 FDCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ncn(C)n1 ZINC000894327890 816929911 /nfs/dbraw/zinc/92/99/11/816929911.db2.gz XEKYDAGZFLLEIB-XJKSGUPXSA-N 0 3 359.478 1.544 20 10 FDCDHN COc1ccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c(O)c1OC ZINC000894768743 818416276 /nfs/dbraw/zinc/41/62/76/818416276.db2.gz ZSOLARRWIBWDQH-HNNXBMFYSA-N 0 3 363.458 1.196 20 10 FDCDHN O=S1(=O)CCCN1C1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000840169736 822569556 /nfs/dbraw/zinc/56/95/56/822569556.db2.gz CGTGXDPLXPYMOS-UHFFFAOYSA-N 0 3 350.484 1.881 20 10 FDCDHN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CN1CCN(C)CC1 ZINC000896708209 824825957 /nfs/dbraw/zinc/82/59/57/824825957.db2.gz OQQYWTFENVETGP-GFCCVEGCSA-N 0 3 363.483 1.926 20 10 FDCDHN O=S(=O)(CCNCc1ccc(N2CCC(O)CC2)cc1)N1CCCC1 ZINC000897827517 840457949 /nfs/dbraw/zinc/45/79/49/840457949.db2.gz FKAQVZCOOSBKFV-UHFFFAOYSA-N 0 3 367.515 1.163 20 10 FDCDHN COc1nn(C)cc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898538842 844814130 /nfs/dbraw/zinc/81/41/30/844814130.db2.gz YWCHKZIEAZGTSY-KRWDZBQOSA-N 0 3 374.489 1.597 20 10 FDCDHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2 ZINC000898842882 845333594 /nfs/dbraw/zinc/33/35/94/845333594.db2.gz YCNCJBYYVQGSOB-HUUCEWRRSA-N 0 3 367.471 1.366 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)N(C)C)cc1 ZINC000899097820 845761305 /nfs/dbraw/zinc/76/13/05/845761305.db2.gz HKUSCTSWKXWFDF-JCHJZTRSSA-N 0 3 360.502 1.910 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CO)CC(F)F)N(C)C)cc1 ZINC000899104945 845778225 /nfs/dbraw/zinc/77/82/25/845778225.db2.gz SWWLDCAQTAUTQD-HIFRSBDPSA-N 0 3 358.433 1.671 20 10 FDCDHN C[C@@H]1OCC[C@]1(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105544 845780124 /nfs/dbraw/zinc/78/01/24/845780124.db2.gz XUEMYFXVRFLKQQ-YJLNNSPDSA-N 0 3 364.490 1.194 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@@H](CF)C2)N(C)C)cc1 ZINC000899099049 845792454 /nfs/dbraw/zinc/79/24/54/845792454.db2.gz UYLSLNXHHUDDPR-IRXDYDNUSA-N 0 3 352.454 1.735 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](F)(CO)C2)N(C)C)cc1 ZINC000899100569 845797862 /nfs/dbraw/zinc/79/78/62/845797862.db2.gz ANWNAHQIIIPBNQ-SJLPKXTDSA-N 0 3 352.454 1.471 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=S)NC[C@@H]2CCCO2)N(C)C)cc1 ZINC000899724100 846625619 /nfs/dbraw/zinc/62/56/19/846625619.db2.gz JYMFCTVZNCVROQ-IRXDYDNUSA-N 0 3 350.532 1.998 20 10 FDCDHN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914207749 871849976 /nfs/dbraw/zinc/84/99/76/871849976.db2.gz WVHDAFSYBZKOTQ-SFHVURJKSA-N 0 3 365.499 1.767 20 10 FDCDHN CN1CCN(Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000262626301 882790234 /nfs/dbraw/zinc/79/02/34/882790234.db2.gz BPARKYUXMLMNHU-UHFFFAOYSA-N 0 3 352.482 1.875 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[NH+]1CCCCC1 ZINC000920458271 886951548 /nfs/dbraw/zinc/95/15/48/886951548.db2.gz FWNBOYSSHGJYJF-GFCCVEGCSA-N 0 3 355.460 1.368 20 10 FDCDHN CN1CCC[C@@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C)c1 ZINC000923123718 888098942 /nfs/dbraw/zinc/09/89/42/888098942.db2.gz ZNGRXSZYGDPADV-JKSUJKDBSA-N 0 3 360.458 1.135 20 10 FDCDHN COC(=O)C[C@@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCCOC1 ZINC000770674825 930177367 /nfs/dbraw/zinc/17/73/67/930177367.db2.gz NAFPRRZCPAEDPZ-IBGZPJMESA-N 0 3 366.433 1.864 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000787664431 932361864 /nfs/dbraw/zinc/36/18/64/932361864.db2.gz PJJKQGKCRFQOPG-UHFFFAOYSA-N 0 3 374.529 1.997 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000787668885 932363372 /nfs/dbraw/zinc/36/33/72/932363372.db2.gz HXXKRTRTABOTCD-OAHLLOKOSA-N 0 3 360.502 1.525 20 10 FDCDHN O=S1(=O)CCCN1[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000788387068 932689614 /nfs/dbraw/zinc/68/96/14/932689614.db2.gz MPWZREJGXFIMMG-KRWDZBQOSA-N 0 3 350.484 1.881 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(CCN(C)C)C(C)C)cc1 ZINC000788953416 932887117 /nfs/dbraw/zinc/88/71/17/932887117.db2.gz BILQSUIQFXFTEN-UHFFFAOYSA-N 0 3 362.518 1.948 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000793901610 938334403 /nfs/dbraw/zinc/33/44/03/938334403.db2.gz MVMYVZUUSVACTQ-DOTOQJQBSA-N 0 3 374.529 1.914 20 10 FDCDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806280850 939879907 /nfs/dbraw/zinc/87/99/07/939879907.db2.gz WWZLGEQVENVONB-LBPRGKRZSA-N 0 3 356.517 1.342 20 10 FDCDHN C[C@@](O)(CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000818967972 943385962 /nfs/dbraw/zinc/38/59/62/943385962.db2.gz HEIZOOKCSVXWNL-XJKSGUPXSA-N 0 3 359.392 1.791 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3ncccc3C)CC2)cc1 ZINC000819017771 943403599 /nfs/dbraw/zinc/40/35/99/943403599.db2.gz MMTDYTGERROTTB-IBGZPJMESA-N 0 3 370.497 1.671 20 10 FDCDHN CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856283039 971030567 /nfs/dbraw/zinc/03/05/67/971030567.db2.gz LQZOJXPSRZPIDT-UHFFFAOYSA-N 0 3 357.476 1.614 20 10 FDCDHN CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856283039 971030578 /nfs/dbraw/zinc/03/05/78/971030578.db2.gz LQZOJXPSRZPIDT-UHFFFAOYSA-N 0 3 357.476 1.614 20 10 FDCDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136557660 944913548 /nfs/dbraw/zinc/91/35/48/944913548.db2.gz MWMWBIDKROLMTF-OAHLLOKOSA-N 0 3 374.445 1.522 20 10 FDCDHN CN1CCN(CCCNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000844190604 947826997 /nfs/dbraw/zinc/82/69/97/947826997.db2.gz CLERBZHKWDXXAP-UHFFFAOYSA-N 0 3 373.526 1.683 20 10 FDCDHN CC(C)(C)OC(=O)NCCN1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144504049 949715936 /nfs/dbraw/zinc/71/59/36/949715936.db2.gz JTFRDJDRMTVDEH-UHFFFAOYSA-N 0 3 367.446 1.446 20 10 FDCDHN Oc1cc(O)c(CN2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c(O)c1 ZINC001144509108 949784343 /nfs/dbraw/zinc/78/43/43/949784343.db2.gz LFDQWKQWUQMKDS-WBHUJUFNSA-N 0 3 373.409 1.652 20 10 FDCDHN O=C(CNC(=O)c1cccc(O)c1O)N1CCN(C2CCCCC2)CC1 ZINC001148224686 952654198 /nfs/dbraw/zinc/65/41/98/952654198.db2.gz SIVHHXRBESQOOB-UHFFFAOYSA-N 0 3 361.442 1.305 20 10 FDCDHN CC(C)(C)N(C(=O)c1cc(O)c([O-])c(O)c1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001148582845 952757752 /nfs/dbraw/zinc/75/77/52/952757752.db2.gz NHUAEINUYUASKL-CYBMUJFWSA-N 0 3 364.442 1.955 20 10 FDCDHN Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[N@@H+]4CC[C@@H]4C3)cc12 ZINC001184360735 963541723 /nfs/dbraw/zinc/54/17/23/963541723.db2.gz JCBLQLAOEIHZRQ-OAHLLOKOSA-N 0 3 371.437 1.155 20 10 FDCDHN Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[N@H+]4CC[C@@H]4C3)cc12 ZINC001184360735 963541727 /nfs/dbraw/zinc/54/17/27/963541727.db2.gz JCBLQLAOEIHZRQ-OAHLLOKOSA-N 0 3 371.437 1.155 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2OCCO)N(C)C)cc1 ZINC001180180413 965127932 /nfs/dbraw/zinc/12/79/32/965127932.db2.gz ZZIIZXZQLIHANW-GOSISDBHSA-N 0 3 372.469 1.551 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000852501728 967380049 /nfs/dbraw/zinc/38/00/49/967380049.db2.gz SWSRMUBBRUWTJU-IGOJGBNBSA-N 0 3 361.486 1.293 20 10 FDCDHN C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000854003904 968520189 /nfs/dbraw/zinc/52/01/89/968520189.db2.gz NGEJTRFQGDEIRT-OAHLLOKOSA-N 0 3 363.506 1.475 20 10 FDCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000847366659 975537609 /nfs/dbraw/zinc/53/76/09/975537609.db2.gz LBJWZLLEFWVEOA-NVXWUHKLSA-N 0 3 358.486 1.346 20 10 FDCDHN COc1ccc(N2CCCN(S(=O)(=O)CCCN(C)C)CC2)cc1 ZINC000866560194 975791895 /nfs/dbraw/zinc/79/18/95/975791895.db2.gz MLPYSSRFFKAOEH-UHFFFAOYSA-N 0 3 355.504 1.489 20 10 FDCDHN COc1ccc(N2CCN(CCNCc3cnc(Cl)n3C)CC2)cc1 ZINC000848531893 976891601 /nfs/dbraw/zinc/89/16/01/976891601.db2.gz VTPSTIRRISVYOB-UHFFFAOYSA-N 0 3 363.893 1.994 20 10 FDCDHN O=C(Nc1ccc2c(c1)OCCNC2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868300376 977470754 /nfs/dbraw/zinc/47/07/54/977470754.db2.gz YKVWZYLWXKORNF-UHFFFAOYSA-N 0 3 353.378 1.355 20 10 FDCDHN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850803737 978677410 /nfs/dbraw/zinc/67/74/10/978677410.db2.gz SKGRJZNCVBOXDH-GOSISDBHSA-N 0 3 369.421 1.650 20 10 FDCDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000851678949 978994219 /nfs/dbraw/zinc/99/42/19/978994219.db2.gz PCOGDDYFHLXUGI-UHFFFAOYSA-N 0 3 357.414 1.225 20 10 FDCDHN NC(=O)[C@](O)(C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000851840935 979094857 /nfs/dbraw/zinc/09/48/57/979094857.db2.gz MFNADPRYRSTOJQ-RXVVDRJESA-N 0 3 370.449 1.746 20 10 FDCDHN NC(=O)[C@](O)(C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000851840935 979094868 /nfs/dbraw/zinc/09/48/68/979094868.db2.gz MFNADPRYRSTOJQ-RXVVDRJESA-N 0 3 370.449 1.746 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)CCCCc3c[nH]nn3)cc2)CC1 ZINC000881852312 980215502 /nfs/dbraw/zinc/21/55/02/980215502.db2.gz LOAHFONMVHKEBT-UHFFFAOYSA-N 0 3 356.474 1.586 20 10 FDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000884010491 982699785 /nfs/dbraw/zinc/69/97/85/982699785.db2.gz DQLUCTRDNURIOB-BDVYOWHSSA-N 0 3 367.515 1.472 20 10 FDCDHN CN1CCC[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000884201465 982976205 /nfs/dbraw/zinc/97/62/05/982976205.db2.gz YTFICTQHGYJBOE-KRWDZBQOSA-N 0 3 373.501 1.282 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@]4(C3)CCCOC4)CC2)cc1 ZINC000368498267 988995679 /nfs/dbraw/zinc/99/56/79/988995679.db2.gz GKLQKTUCTQNVKE-NRFANRHFSA-N 0 3 373.497 1.846 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000297597944 989574644 /nfs/dbraw/zinc/57/46/44/989574644.db2.gz CRUXHVDVHJXNJV-MSOLQXFVSA-N 0 3 358.486 1.406 20 10 FDCDHN CCN1CCO[C@@H](CN2CCN([C@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631103 989686741 /nfs/dbraw/zinc/68/67/41/989686741.db2.gz ONOKGCYKIDEURV-SJLPKXTDSA-N 0 3 363.502 1.800 20 10 FDCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000876583807 992719698 /nfs/dbraw/zinc/71/96/98/992719698.db2.gz QYZPCRQTSHJDHZ-UHFFFAOYSA-N 0 3 359.470 1.637 20 10 FDCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877562619 993343364 /nfs/dbraw/zinc/34/33/64/993343364.db2.gz XYQDVBMHNFTTHR-HNNXBMFYSA-N 0 3 355.504 1.065 20 10 FDCDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127251030 994087713 /nfs/dbraw/zinc/08/77/13/994087713.db2.gz HTHCDTSVMYNXEW-IBGZPJMESA-N 0 3 358.486 1.973 20 10 FDCDHN C[C@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000879651071 995136606 /nfs/dbraw/zinc/13/66/06/995136606.db2.gz GNBJMKAKCNQRBI-ZDUSSCGKSA-N 0 3 358.394 1.967 20 10 FDCDHN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCN(CCO)CC1 ZINC000925304504 995473816 /nfs/dbraw/zinc/47/38/16/995473816.db2.gz VQBXGPSIVHEFGQ-UHFFFAOYSA-N 0 3 367.833 1.267 20 10 FDCDHN CN(CCCn1ccnc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889665927 998516511 /nfs/dbraw/zinc/51/65/11/998516511.db2.gz BCGRAVHALVGDBO-UHFFFAOYSA-N 0 3 370.501 1.867 20 10 FDCDHN COc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc(OC)c1OC ZINC000274212777 999736919 /nfs/dbraw/zinc/73/69/19/999736919.db2.gz NQPQQSSPQIRQEV-OAHLLOKOSA-N 0 3 363.458 1.455 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC23CCC3)N(C)C)cc1 ZINC000931215574 1003966405 /nfs/dbraw/zinc/96/64/05/1003966405.db2.gz QPEIPVNIWUCHRD-IAGOWNOFSA-N 0 3 358.486 1.530 20 10 FDCDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000552747329 543513304 /nfs/dbraw/zinc/51/33/04/543513304.db2.gz CRMXXRPCXHUFLL-CQSZACIVSA-N 0 3 358.486 1.949 20 10 FDCDHN C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271428560 674342861 /nfs/dbraw/zinc/34/28/61/674342861.db2.gz SOFARNBQZKRWLB-FZMZJTMJSA-N 0 3 355.460 1.176 20 10 FDCDHN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271428560 674342862 /nfs/dbraw/zinc/34/28/62/674342862.db2.gz SOFARNBQZKRWLB-FZMZJTMJSA-N 0 3 355.460 1.176 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3CCO)CC2)cc1 ZINC000070950998 522062025 /nfs/dbraw/zinc/06/20/25/522062025.db2.gz OBMZZRJNEWPLEN-KRWDZBQOSA-N 0 3 361.486 1.581 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C[C@@H]1CCOC1)C1CC1)cc2=O ZINC000052774793 523267282 /nfs/dbraw/zinc/26/72/82/523267282.db2.gz OUYCCAHBZQRZKM-LBPRGKRZSA-N 0 3 360.414 1.613 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000112525359 524500924 /nfs/dbraw/zinc/50/09/24/524500924.db2.gz VAKNLUJHTPZQKU-QGZVFWFLSA-N 0 3 361.486 1.796 20 10 FDCDHN C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)CN1CCN(C)CC1 ZINC000175225177 524908212 /nfs/dbraw/zinc/90/82/12/524908212.db2.gz FIVDEHNNSOQFIO-GOSISDBHSA-N 0 3 371.529 1.746 20 10 FDCDHN COc1ccc(N2CCN(CCCN[C@@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000182237683 526106334 /nfs/dbraw/zinc/10/63/34/526106334.db2.gz LSCALDKTFOFIHU-INIZCTEOSA-N 0 3 369.531 1.230 20 10 FDCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000185309643 536205006 /nfs/dbraw/zinc/20/50/06/536205006.db2.gz IVHSYNXRKNAGIQ-INIZCTEOSA-N 0 3 369.469 1.880 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@]1(C)CCO[C@@H]1C1CC1)cc2=O ZINC000273020350 537378283 /nfs/dbraw/zinc/37/82/83/537378283.db2.gz DLRAAVJFCJPJMX-QAPCUYQASA-N 0 3 360.414 1.659 20 10 FDCDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000299259957 537519214 /nfs/dbraw/zinc/51/92/14/537519214.db2.gz FEVKKKCPUMMIPQ-OLZOCXBDSA-N 0 3 350.415 1.484 20 10 FDCDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000299259957 537519218 /nfs/dbraw/zinc/51/92/18/537519218.db2.gz FEVKKKCPUMMIPQ-OLZOCXBDSA-N 0 3 350.415 1.484 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H](CO)CC(C)C)cc2=O ZINC000274840064 537532188 /nfs/dbraw/zinc/53/21/88/537532188.db2.gz COBKKLNVXIMXAM-CYBMUJFWSA-N 0 3 350.419 1.450 20 10 FDCDHN CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1[O-] ZINC000285433854 537710543 /nfs/dbraw/zinc/71/05/43/537710543.db2.gz HUNAVOUAMSVJMZ-ALOPSCKCSA-N 0 3 361.486 1.964 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000580972092 551039059 /nfs/dbraw/zinc/03/90/59/551039059.db2.gz KLWVXDKEJZSCIJ-HNNXBMFYSA-N 0 3 356.470 1.656 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(C)cc(C)c2O)C1 ZINC000192167985 672351282 /nfs/dbraw/zinc/35/12/82/672351282.db2.gz JITYFTDAKHCGQX-KRWDZBQOSA-N 0 3 370.515 1.881 20 10 FDCDHN C[C@@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000296380555 676418132 /nfs/dbraw/zinc/41/81/32/676418132.db2.gz JPQIIDJUURPARC-QAPCUYQASA-N 0 3 352.500 1.877 20 10 FDCDHN CN1CCO[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000366572851 677452125 /nfs/dbraw/zinc/45/21/25/677452125.db2.gz JAWLPHASPCBPAF-DOTOQJQBSA-N 0 3 367.877 1.457 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C3CC3)c2N)N(C)C)cc1 ZINC000891244023 774057044 /nfs/dbraw/zinc/05/70/44/774057044.db2.gz XJLQHXKPNRSCMJ-QGZVFWFLSA-N 0 3 356.474 1.899 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(N3CCOCC3)CC2)N(C)C)cc1 ZINC000891245227 774078656 /nfs/dbraw/zinc/07/86/56/774078656.db2.gz AJJUOKGFVSJEHU-GOSISDBHSA-N 0 3 360.502 1.336 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(N)=O)n2)N(C)C)cc1 ZINC000891246390 774087326 /nfs/dbraw/zinc/08/73/26/774087326.db2.gz BYBXJEGWDFFQTH-QGZVFWFLSA-N 0 3 355.442 1.279 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2C(N)=O)N(C)C)cc1 ZINC000891246332 774087563 /nfs/dbraw/zinc/08/75/63/774087563.db2.gz ATUNYQCSEGNLDY-MRXNPFEDSA-N 0 3 355.442 1.279 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)COCc2cc[nH]c(=O)c2)N(C)C)cc1 ZINC000891247236 774092947 /nfs/dbraw/zinc/09/29/47/774092947.db2.gz RVOZXIAGXHTHSD-SFHVURJKSA-N 0 3 372.469 1.789 20 10 FDCDHN CCOC(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891247825 774099027 /nfs/dbraw/zinc/09/90/27/774099027.db2.gz KPWNNFXLESMWEN-MRXNPFEDSA-N 0 3 374.441 1.950 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2nccn3ccnc23)N(C)C)cc1 ZINC000891247880 774099152 /nfs/dbraw/zinc/09/91/52/774099152.db2.gz LCFHFQIRUIIKRE-MRXNPFEDSA-N 0 3 352.442 1.828 20 10 FDCDHN CCOc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891249087 774113617 /nfs/dbraw/zinc/11/36/17/774113617.db2.gz PMAFXXJSTYHBQG-KRWDZBQOSA-N 0 3 357.458 1.974 20 10 FDCDHN CCn1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1=O ZINC000891254176 774150175 /nfs/dbraw/zinc/15/01/75/774150175.db2.gz WZIASTNWRPUORF-QGZVFWFLSA-N 0 3 357.458 1.362 20 10 FDCDHN CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000728605275 784371358 /nfs/dbraw/zinc/37/13/58/784371358.db2.gz WUCDIWNGCZVTBL-ZDUSSCGKSA-N 0 3 355.460 1.366 20 10 FDCDHN CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000728605274 784371602 /nfs/dbraw/zinc/37/16/02/784371602.db2.gz WUCDIWNGCZVTBL-CYBMUJFWSA-N 0 3 355.460 1.366 20 10 FDCDHN CS[C@H](CO)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893118766 793076181 /nfs/dbraw/zinc/07/61/81/793076181.db2.gz KEGTZXBTPIRQDY-RRQGHBQHSA-N 0 3 368.547 1.767 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893134287 793241216 /nfs/dbraw/zinc/24/12/16/793241216.db2.gz HKAMDPZLMJKSAF-WOJBJXKFSA-N 0 3 370.497 1.803 20 10 FDCDHN COC(=O)c1cn([C@H]2CCN(Cc3ccc(OC)c(OC)c3O)C2)nn1 ZINC000893595304 806921170 /nfs/dbraw/zinc/92/11/70/806921170.db2.gz VOMVACNWRPXCGM-LBPRGKRZSA-N 0 3 362.386 1.235 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2cnccn2)N(C)C)cc1 ZINC000894009957 809855175 /nfs/dbraw/zinc/85/51/75/809855175.db2.gz QGYXIRRDWLJCON-SFHVURJKSA-N 0 3 356.474 1.687 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(=O)NCC2CC2)N(C)C)cc1 ZINC000894057939 809886254 /nfs/dbraw/zinc/88/62/54/809886254.db2.gz LBORFNUKJARSAE-KRWDZBQOSA-N 0 3 361.490 1.181 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2COC(C)(C)O2)N(C)C)cc1 ZINC000894118606 810125535 /nfs/dbraw/zinc/12/55/35/810125535.db2.gz BEFYAHSWRQCWPV-SJORKVTESA-N 0 3 364.490 1.806 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCC2(C)OCCO2)N(C)C)cc1 ZINC000894195483 810874452 /nfs/dbraw/zinc/87/44/52/810874452.db2.gz JJWYRBJOYUCBOR-KRWDZBQOSA-N 0 3 364.490 1.808 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@@]2(O)CCOC2)N(C)C)cc1 ZINC000895555439 822649968 /nfs/dbraw/zinc/64/99/68/822649968.db2.gz MRUONRROBNVLKV-PKOBYXMFSA-N 0 3 364.490 1.196 20 10 FDCDHN CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000895880127 822778124 /nfs/dbraw/zinc/77/81/24/822778124.db2.gz WUKTUVRZHBGYOT-GOSISDBHSA-N 0 3 360.502 1.883 20 10 FDCDHN CN(C)[S@@](C)(=O)=NCC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000898399717 844636023 /nfs/dbraw/zinc/63/60/23/844636023.db2.gz TVKWBMQMGMFNDB-VWLOTQADSA-N 0 3 369.487 1.907 20 10 FDCDHN COC[C@@H]1C[C@@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097719 845761411 /nfs/dbraw/zinc/76/14/11/845761411.db2.gz FXVFPWNIPQUBOS-KSZLIROESA-N 0 3 364.490 1.147 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000899097895 845772631 /nfs/dbraw/zinc/77/26/31/845772631.db2.gz IOBVZLUEHQLWCZ-KRWDZBQOSA-N 0 3 359.474 1.329 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000899104167 845777239 /nfs/dbraw/zinc/77/72/39/845777239.db2.gz QFYHEGSVULWSDA-SFHVURJKSA-N 0 3 356.474 1.846 20 10 FDCDHN CNC(=O)CCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105192 845779424 /nfs/dbraw/zinc/77/94/24/845779424.db2.gz VDHINJRYAMKIJG-QGZVFWFLSA-N 0 3 363.506 1.523 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)c2ccnn2C)N(C)C)cc1 ZINC000899098057 845790653 /nfs/dbraw/zinc/79/06/53/845790653.db2.gz LFJIMDLVNKUIQG-AEFFLSMTSA-N 0 3 374.489 1.122 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)[C@@H]2CCN(C)C2=O)N(C)C)cc1 ZINC000899101156 845798458 /nfs/dbraw/zinc/79/84/58/845798458.db2.gz FOGNUUAKZPPAAW-SJORKVTESA-N 0 3 361.490 1.227 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(=O)NCC(F)F)N(C)C)cc1 ZINC000899100956 845798598 /nfs/dbraw/zinc/79/85/98/845798598.db2.gz DREWBNJHFZNYGE-AWEZNQCLSA-N 0 3 371.432 1.036 20 10 FDCDHN CN1CCN(c2ccc(CN[C@H](C(N)=O)c3ccc(F)cc3)cc2)CC1 ZINC000905790729 852262299 /nfs/dbraw/zinc/26/22/99/852262299.db2.gz ZYSRNVIELIJFNX-IBGZPJMESA-N 0 3 356.445 1.894 20 10 FDCDHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000761498743 871362417 /nfs/dbraw/zinc/36/24/17/871362417.db2.gz GUFLICVHTRBWRF-GFCCVEGCSA-N 0 3 366.849 1.379 20 10 FDCDHN COc1ccc(-n2c(C)cc(C(=O)NC[C@]3(O)CCN(C)C3)c2C)cc1 ZINC000762720039 876463494 /nfs/dbraw/zinc/46/34/94/876463494.db2.gz UFYUAIWSNFRAEF-HXUWFJFHSA-N 0 3 357.454 1.899 20 10 FDCDHN CCOc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c([O-])c1 ZINC000922496488 878340386 /nfs/dbraw/zinc/34/03/86/878340386.db2.gz OANRZNYKBBVLOC-UHFFFAOYSA-N 0 3 373.331 1.905 20 10 FDCDHN CCN(CC)c1ccc(CNC[C@]2(OC)CCS(=O)(=O)C2)cc1F ZINC000922614473 878785851 /nfs/dbraw/zinc/78/58/51/878785851.db2.gz CFEMCFNKWAIUHC-QGZVFWFLSA-N 0 3 358.479 1.965 20 10 FDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cnn(CCF)c3)cc2)C1 ZINC000921571750 908443079 /nfs/dbraw/zinc/44/30/79/908443079.db2.gz CQUPLSKSDHAIKN-QGZVFWFLSA-N 0 3 359.449 1.844 20 10 FDCDHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000730017747 915982589 /nfs/dbraw/zinc/98/25/89/915982589.db2.gz LUCDOCDTTULQED-GFCCVEGCSA-N 0 3 363.439 1.417 20 10 FDCDHN Cn1ccnc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)c1=O ZINC000744441185 926686433 /nfs/dbraw/zinc/68/64/33/926686433.db2.gz PWZFXXGJBZBFIT-UHFFFAOYSA-N 0 3 350.422 1.961 20 10 FDCDHN COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOC1 ZINC000766459714 928050380 /nfs/dbraw/zinc/05/03/80/928050380.db2.gz ZXVXHRAQENNUAL-HNNXBMFYSA-N 0 3 374.231 1.975 20 10 FDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000746105506 930337142 /nfs/dbraw/zinc/33/71/42/930337142.db2.gz XWNBEJWPHIVWIJ-SFHVURJKSA-N 0 3 374.529 1.901 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)C[C@@H]1[C@H](C)O)cc2=O ZINC000785541040 931446187 /nfs/dbraw/zinc/44/61/87/931446187.db2.gz OMYXYXOJUIMHKS-SLEUVZQESA-N 0 3 362.430 1.593 20 10 FDCDHN CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c([O-])c1 ZINC000746739877 932625273 /nfs/dbraw/zinc/62/52/73/932625273.db2.gz BDQLCQFTUDHURR-UHFFFAOYSA-N 0 3 356.469 1.921 20 10 FDCDHN CN1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])([NH+]2CCCCC2)CC1 ZINC000790070824 933331393 /nfs/dbraw/zinc/33/13/93/933331393.db2.gz HZKSLHOPPXHPLO-UHFFFAOYSA-N 0 3 365.449 1.917 20 10 FDCDHN COCCN(C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805073648 938668000 /nfs/dbraw/zinc/66/80/00/938668000.db2.gz RJWHMYLBDLKPOR-UHFFFAOYSA-N 0 3 360.252 1.532 20 10 FDCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000806327675 939900608 /nfs/dbraw/zinc/90/06/08/939900608.db2.gz OINKORJQGPRUQV-QGZVFWFLSA-N 0 3 360.502 1.668 20 10 FDCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000806329958 939901024 /nfs/dbraw/zinc/90/10/24/939901024.db2.gz IJUQYFIPSYSSEF-NVXWUHKLSA-N 0 3 360.502 1.920 20 10 FDCDHN COC(=O)C12CC(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)(C1)C2 ZINC001134686512 941725022 /nfs/dbraw/zinc/72/50/22/941725022.db2.gz MUXOGVKSHLBWNF-PBPGXSGUSA-N 0 3 359.470 1.815 20 10 FDCDHN COc1ccc(N2CCN(C(=O)Cn3cc4c(n3)[C@H](N)CCC4)CC2)cc1 ZINC000818618483 943305347 /nfs/dbraw/zinc/30/53/47/943305347.db2.gz OEAARLRAOUSFTP-GOSISDBHSA-N 0 3 369.469 1.577 20 10 FDCDHN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000821436304 944503622 /nfs/dbraw/zinc/50/36/22/944503622.db2.gz MBMQJMDNOSBRRI-PBHICJAKSA-N 0 3 372.473 1.947 20 10 FDCDHN COc1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc(OC)c1OC ZINC000821926978 944764868 /nfs/dbraw/zinc/76/48/68/944764868.db2.gz WCJXLXUVIAFFRL-UHFFFAOYSA-N 0 3 363.458 1.457 20 10 FDCDHN COc1cccc(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000824738653 946699180 /nfs/dbraw/zinc/69/91/80/946699180.db2.gz PPHDSIDFSOVFPW-UHFFFAOYSA-N 0 3 350.440 1.941 20 10 FDCDHN O=C(NCCc1cc(O)c(O)cc1O)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001197617620 972311204 /nfs/dbraw/zinc/31/12/04/972311204.db2.gz FPCDQWNDTFVGHO-MRXNPFEDSA-N 0 3 372.421 1.343 20 10 FDCDHN CCN1CC[C@H](N2CCN(c3ccc(OCCOC)cc3)CC2)CC1=O ZINC001172048399 961456075 /nfs/dbraw/zinc/45/60/75/961456075.db2.gz OVMYZKDEEVBWRD-SFHVURJKSA-N 0 3 361.486 1.845 20 10 FDCDHN COc1ccc(N2CCN([C@H]3CCN4C(=O)CC[C@@H]4C3)CC2)c(OC)c1 ZINC001172187523 961508616 /nfs/dbraw/zinc/50/86/16/961508616.db2.gz YQPYNLUAWBILPC-JKSUJKDBSA-N 0 3 359.470 1.979 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C(O)[C@@H](C)C3)CC2)cc1 ZINC000852501726 967379735 /nfs/dbraw/zinc/37/97/35/967379735.db2.gz SWSRMUBBRUWTJU-HOTGVXAUSA-N 0 3 361.486 1.293 20 10 FDCDHN O=S1(=O)CCN(c2ccc(CNCc3cnc4ccccn34)cc2)CC1 ZINC000776173867 975049933 /nfs/dbraw/zinc/04/99/33/975049933.db2.gz BXHSEEYPPJXIIM-UHFFFAOYSA-N 0 3 370.478 1.859 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000848554928 976902160 /nfs/dbraw/zinc/90/21/60/976902160.db2.gz GPWCLAPNSPRGSN-KWQFWETISA-N 0 3 371.231 1.961 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848934596 977255026 /nfs/dbraw/zinc/25/50/26/977255026.db2.gz NBSSPKKBDDVOMA-OALUTQOASA-N 0 3 372.513 1.810 20 10 FDCDHN COCCC1CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000849326563 977428311 /nfs/dbraw/zinc/42/83/11/977428311.db2.gz GKZURGKTGZRYAS-IBGZPJMESA-N 0 3 363.502 1.146 20 10 FDCDHN C[C@](O)(CNCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(F)(F)F ZINC000849326107 977428605 /nfs/dbraw/zinc/42/86/05/977428605.db2.gz CUCSCLFSCXLKHF-AWEZNQCLSA-N 0 3 366.405 1.324 20 10 FDCDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849485893 977679952 /nfs/dbraw/zinc/67/99/52/977679952.db2.gz IRFNLAVKQWUYBL-MOPGFXCFSA-N 0 3 355.486 1.838 20 10 FDCDHN COc1ccc(N2CCC(N[C@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc1 ZINC000850360785 978336569 /nfs/dbraw/zinc/33/65/69/978336569.db2.gz JLNMTESSZREUKZ-DLBZAZTESA-N 0 3 354.472 1.066 20 10 FDCDHN C[C@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883373219 982102540 /nfs/dbraw/zinc/10/25/40/982102540.db2.gz FHNHETMQQKQGLW-QEJZJMRPSA-N 0 3 356.463 1.889 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4[nH]cnc4C3)cc2)CC1 ZINC000883702473 982395847 /nfs/dbraw/zinc/39/58/47/982395847.db2.gz NDACMMPMZJZYHX-INIZCTEOSA-N 0 3 368.485 1.518 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4nc[nH]c4C3)cc2)CC1 ZINC000883702473 982395861 /nfs/dbraw/zinc/39/58/61/982395861.db2.gz NDACMMPMZJZYHX-INIZCTEOSA-N 0 3 368.485 1.518 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC(N3CCOCC3)CC2)cc1 ZINC000859358114 982744320 /nfs/dbraw/zinc/74/43/20/982744320.db2.gz UQWUKDXCLBKEBX-UHFFFAOYSA-N 0 3 374.529 1.508 20 10 FDCDHN CCOCc1cc(CNCC2(S(=O)(=O)N(C)C)CC2)ccc1OC ZINC000886321902 986066933 /nfs/dbraw/zinc/06/69/33/986066933.db2.gz BEOOXIVTRDBQMR-UHFFFAOYSA-N 0 3 356.488 1.745 20 10 FDCDHN NC(=O)C1CCN(c2ccc(CNCc3cnn4c3CCC4)cc2)CC1 ZINC000886324912 986072855 /nfs/dbraw/zinc/07/28/55/986072855.db2.gz LRLFPUBNKAXTKY-UHFFFAOYSA-N 0 3 353.470 1.821 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]([C@@H]3CCCO3)C1)cc2=O ZINC000886825264 986615330 /nfs/dbraw/zinc/61/53/30/986615330.db2.gz PMAAEMBDFMHCSN-DOMZBBRYSA-N 0 3 360.414 1.613 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ccnc(F)c3)CC2)cc1 ZINC000872223019 987524822 /nfs/dbraw/zinc/52/48/22/987524822.db2.gz LREUQBICWXFAGX-GOSISDBHSA-N 0 3 374.460 1.502 20 10 FDCDHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC000874102849 989750231 /nfs/dbraw/zinc/75/02/31/989750231.db2.gz OPPYVZJFHRZGMC-UHFFFAOYSA-N 0 3 369.421 1.943 20 10 FDCDHN COc1c([O-])c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000364760362 989774976 /nfs/dbraw/zinc/77/49/76/989774976.db2.gz PTVXLBMAGCMAAX-IIAWOOMASA-N 0 3 365.430 1.993 20 10 FDCDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877629684 993394401 /nfs/dbraw/zinc/39/44/01/993394401.db2.gz XQRPUSZISPCMRF-UHFFFAOYSA-N 0 3 362.518 1.100 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3CSC[C@H]3C1)cc2=O ZINC000879562898 995010484 /nfs/dbraw/zinc/01/04/84/995010484.db2.gz NSSCZZIZXHZDAT-VXGBXAGGSA-N 0 3 362.455 1.797 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C)[C@H]3C)CC2)cc1F ZINC000925330149 995502203 /nfs/dbraw/zinc/50/22/03/995502203.db2.gz RHPLFXUPDZXSLF-XJKSGUPXSA-N 0 3 350.438 1.759 20 10 FDCDHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000826531509 996883489 /nfs/dbraw/zinc/88/34/89/996883489.db2.gz MXFODLJVUOOQDC-GJZGRUSLSA-N 0 3 361.490 1.575 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COC1CCOCC1)C[C@@H]1CCCO1 ZINC000268012874 999412759 /nfs/dbraw/zinc/41/27/59/999412759.db2.gz RRGNBBGAJOXYKH-MJGOQNOKSA-N 0 3 365.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COC1CCOCC1)C[C@@H]1CCCO1 ZINC000268012874 999412762 /nfs/dbraw/zinc/41/27/62/999412762.db2.gz RRGNBBGAJOXYKH-MJGOQNOKSA-N 0 3 365.470 1.930 20 10 FDCDHN O=C(C[C@H]1CNCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269278010 999466589 /nfs/dbraw/zinc/46/65/89/999466589.db2.gz YQERDGZCTKIGLY-BBRMVZONSA-N 0 3 369.412 1.752 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000287355166 999956838 /nfs/dbraw/zinc/95/68/38/999956838.db2.gz LPLPXIVNXJCIPM-GOSISDBHSA-N 0 3 372.513 1.655 20 10 FDCDHN CS(=O)(=O)N1CC(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000929973540 1002681480 /nfs/dbraw/zinc/68/14/80/1002681480.db2.gz ZCMKCCFDELMMRW-MRXNPFEDSA-N 0 3 354.472 1.265 20 10 FDCDHN CS(=O)(=O)N1CC(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000929973540 1002681487 /nfs/dbraw/zinc/68/14/87/1002681487.db2.gz ZCMKCCFDELMMRW-MRXNPFEDSA-N 0 3 354.472 1.265 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CCSCC3)CC2)cc1 ZINC000779220613 1002738154 /nfs/dbraw/zinc/73/81/54/1002738154.db2.gz YXXOFTHYTHZFLU-KRWDZBQOSA-N 0 3 351.516 1.227 20 10 FDCDHN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000931122860 1003904273 /nfs/dbraw/zinc/90/42/73/1003904273.db2.gz ZLKOIDGENOIRKA-GOSISDBHSA-N 0 3 372.469 1.689 20 10 FDCDHN CC(C)N(C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000934316897 1005731969 /nfs/dbraw/zinc/73/19/69/1005731969.db2.gz BVVISMDIJYPGMU-SFHVURJKSA-N 0 3 360.502 1.871 20 10 FDCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000795686901 1007969163 /nfs/dbraw/zinc/96/91/63/1007969163.db2.gz HIYDXAPNHCQCBY-IUODEOHRSA-N 0 3 361.316 1.745 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2COCCO2)N(C)C)cc1 ZINC000892191880 782113082 /nfs/dbraw/zinc/11/30/82/782113082.db2.gz OFQWZTQSNXHFNI-IAGOWNOFSA-N 0 3 350.463 1.070 20 10 FDCDHN CCOC[C@@H]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000176333113 525082645 /nfs/dbraw/zinc/08/26/45/525082645.db2.gz KJJDTFCSPWXPBT-QGZVFWFLSA-N 0 3 361.486 1.702 20 10 FDCDHN CN(C)S(=O)(=O)c1ccc(CNCc2cc3c(cc2O)OCO3)cc1 ZINC000263695354 537067995 /nfs/dbraw/zinc/06/79/95/537067995.db2.gz PWCTXBYGNCGROE-UHFFFAOYSA-N 0 3 364.423 1.661 20 10 FDCDHN O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(O)c1[O-] ZINC000189920242 537115500 /nfs/dbraw/zinc/11/55/00/537115500.db2.gz KITDMOFKRCENGT-MRXNPFEDSA-N 0 3 356.422 1.985 20 10 FDCDHN O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(O)c1[O-] ZINC000189920242 537115502 /nfs/dbraw/zinc/11/55/02/537115502.db2.gz KITDMOFKRCENGT-MRXNPFEDSA-N 0 3 356.422 1.985 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3[C@@H]3CCCO3)CC2)cc1 ZINC000284809209 537567500 /nfs/dbraw/zinc/56/75/00/537567500.db2.gz PCZIOJCLNFEVFJ-UXHICEINSA-N 0 3 373.497 1.987 20 10 FDCDHN CCOC[C@H](NCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C(C)C ZINC000285574625 537731991 /nfs/dbraw/zinc/73/19/91/537731991.db2.gz AOLSLFFSZGMPNQ-AWEZNQCLSA-N 0 3 350.419 1.762 20 10 FDCDHN Cc1cc(O)c(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1C ZINC000368019520 537972310 /nfs/dbraw/zinc/97/23/10/537972310.db2.gz KGKYLLNEVNADGP-QGZVFWFLSA-N 0 3 368.499 1.635 20 10 FDCDHN CCN(CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C)C1CC1 ZINC000579019163 550826923 /nfs/dbraw/zinc/82/69/23/550826923.db2.gz RPUBWAUIOCHVFO-UHFFFAOYSA-N 0 3 356.470 1.703 20 10 FDCDHN COc1cc(Cl)cc(CN2CCC(C(=O)NCCCO)CC2)c1O ZINC000273691400 674563139 /nfs/dbraw/zinc/56/31/39/674563139.db2.gz BKKISZULXXYSBT-UHFFFAOYSA-N 0 3 356.850 1.765 20 10 FDCDHN CCOc1cccc(CNCc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000276715811 674755356 /nfs/dbraw/zinc/75/53/56/674755356.db2.gz RCXJEEKRPLILOE-UHFFFAOYSA-N 0 3 365.451 1.847 20 10 FDCDHN COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000278674349 675177688 /nfs/dbraw/zinc/17/76/88/675177688.db2.gz LTSXFGKXSPCDSK-DZGCQCFKSA-N 0 3 355.431 1.255 20 10 FDCDHN CN(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000109761529 671624541 /nfs/dbraw/zinc/62/45/41/671624541.db2.gz VJLAQKLOHGOBFJ-MRXNPFEDSA-N 0 3 356.488 1.655 20 10 FDCDHN CN(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000109761529 671624547 /nfs/dbraw/zinc/62/45/47/671624547.db2.gz VJLAQKLOHGOBFJ-MRXNPFEDSA-N 0 3 356.488 1.655 20 10 FDCDHN C[N@H+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000264309296 672907352 /nfs/dbraw/zinc/90/73/52/672907352.db2.gz YBUBMAYUDXRFBG-UHFFFAOYSA-N 0 3 355.460 1.368 20 10 FDCDHN C[N@@H+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000264309296 672907354 /nfs/dbraw/zinc/90/73/54/672907354.db2.gz YBUBMAYUDXRFBG-UHFFFAOYSA-N 0 3 355.460 1.368 20 10 FDCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1F ZINC000377578751 678566446 /nfs/dbraw/zinc/56/64/46/678566446.db2.gz BGKYLWUMGSXQKN-GJZGRUSLSA-N 0 3 350.438 1.554 20 10 FDCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2nc[nH]n2)C1 ZINC000683471618 772010902 /nfs/dbraw/zinc/01/09/02/772010902.db2.gz XGPNQRJXKXNIJV-UHFFFAOYSA-N 0 3 352.442 1.842 20 10 FDCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2nnc[nH]2)C1 ZINC000683471618 772010905 /nfs/dbraw/zinc/01/09/05/772010905.db2.gz XGPNQRJXKXNIJV-UHFFFAOYSA-N 0 3 352.442 1.842 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)N(C)C)cc1 ZINC000891247380 774092860 /nfs/dbraw/zinc/09/28/60/774092860.db2.gz JSAMVFMQKMEUNR-HOTGVXAUSA-N 0 3 363.506 1.555 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)N(C)C)cc1 ZINC000891247225 774092988 /nfs/dbraw/zinc/09/29/88/774092988.db2.gz RTKAUQQVFAVFDA-AEFFLSMTSA-N 0 3 370.501 1.716 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)N(C)C)cc1 ZINC000891251237 774128500 /nfs/dbraw/zinc/12/85/00/774128500.db2.gz BCQFJULRALVDFH-DOTOQJQBSA-N 0 3 361.490 1.262 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CN2CSCC2=O)N(C)C)cc1 ZINC000891254785 774158786 /nfs/dbraw/zinc/15/87/86/774158786.db2.gz JLMQLDYFAKRQMT-OAHLLOKOSA-N 0 3 350.488 1.004 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CCn2ccccc2=O)N(C)C)cc1 ZINC000891256309 774164512 /nfs/dbraw/zinc/16/45/12/774164512.db2.gz XHHXYIRHCLFVIL-SFHVURJKSA-N 0 3 356.470 1.724 20 10 FDCDHN COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000891255440 774170030 /nfs/dbraw/zinc/17/00/30/774170030.db2.gz PHYSUDHCPFVRFO-GOSISDBHSA-N 0 3 370.453 1.967 20 10 FDCDHN CN(CCCS(=O)(=O)N(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000728688071 791183439 /nfs/dbraw/zinc/18/34/39/791183439.db2.gz DFZZZCDHIAACSY-UHFFFAOYSA-N 0 3 355.504 1.237 20 10 FDCDHN CCN1CCN(c2ccc(CNC3CC(S(C)(=O)=O)C3)cc2F)CC1 ZINC000892904807 791628719 /nfs/dbraw/zinc/62/87/19/791628719.db2.gz DDHAAQHXSARNMZ-UHFFFAOYSA-N 0 3 369.506 1.633 20 10 FDCDHN COC[C@@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893121201 793086596 /nfs/dbraw/zinc/08/65/96/793086596.db2.gz PKYOUQXVERCOGS-NVXWUHKLSA-N 0 3 352.479 1.052 20 10 FDCDHN COC(=O)c1c(CNC[C@@H]2CCS(=O)(=O)C2)c2cc(F)ccc2n1C ZINC000894164664 810654376 /nfs/dbraw/zinc/65/43/76/810654376.db2.gz IXLRSIUOKGJCCY-NSHDSACASA-N 0 3 368.430 1.628 20 10 FDCDHN Fc1cc(CNCc2cnc[nH]2)ccc1N1CCN(c2ncccn2)CC1 ZINC000894199825 810877494 /nfs/dbraw/zinc/87/74/94/810877494.db2.gz QVZXRWSDMGEQLD-UHFFFAOYSA-N 0 3 367.432 1.955 20 10 FDCDHN CO[C@@]1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000894226946 811500397 /nfs/dbraw/zinc/50/03/97/811500397.db2.gz OYBDEAPERHHXGG-IEBWSBKVSA-N 0 3 364.490 1.460 20 10 FDCDHN COCC(COC)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895192947 821648286 /nfs/dbraw/zinc/64/82/86/821648286.db2.gz NAHZSUWGJOEVHV-QGZVFWFLSA-N 0 3 352.479 1.316 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C3CCC2(C(N)=O)CC3)N(C)C)cc1 ZINC000899095775 845756825 /nfs/dbraw/zinc/75/68/25/845756825.db2.gz MDZYIDRHWXPMLD-GNZRSQJKSA-N 0 3 373.501 1.547 20 10 FDCDHN COC[C@@H]1C[C@@H](O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097722 845761195 /nfs/dbraw/zinc/76/11/95/845761195.db2.gz FXVFPWNIPQUBOS-RCCFBDPRSA-N 0 3 364.490 1.147 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(F)(F)C[C@@H]2CO)N(C)C)cc1 ZINC000899102065 845774509 /nfs/dbraw/zinc/77/45/09/845774509.db2.gz JVUQHTRRKFKSLP-HZPDHXFCSA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)CC(F)F)N(C)C)cc1 ZINC000899104947 845778412 /nfs/dbraw/zinc/77/84/12/845778412.db2.gz SWWLDCAQTAUTQD-ZFWWWQNUSA-N 0 3 358.433 1.671 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](C)(C(N)=O)C2)N(C)C)cc1 ZINC000899105183 845779268 /nfs/dbraw/zinc/77/92/68/845779268.db2.gz VBLNUTBGHFPXGK-APWZRJJASA-N 0 3 361.490 1.262 20 10 FDCDHN C[C@H]1C(=O)N(C)CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105691 845780108 /nfs/dbraw/zinc/78/01/08/845780108.db2.gz YPHOSYAEYNYZLO-YOEHRIQHSA-N 0 3 361.490 1.227 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000842233435 845780273 /nfs/dbraw/zinc/78/02/73/845780273.db2.gz VCCHCGSKYNKPKK-UHFFFAOYSA-N 0 3 369.487 1.806 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=S)NC[C@H]2CCOC2)N(C)C)cc1 ZINC000899724264 846625502 /nfs/dbraw/zinc/62/55/02/846625502.db2.gz LLOQNEADXWQNKH-PBHICJAKSA-N 0 3 350.532 1.856 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000916633028 881857022 /nfs/dbraw/zinc/85/70/22/881857022.db2.gz FLTOWHKDHJEOCZ-OTWHNJEPSA-N 0 3 365.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000916633028 881857040 /nfs/dbraw/zinc/85/70/40/881857040.db2.gz FLTOWHKDHJEOCZ-OTWHNJEPSA-N 0 3 365.470 1.930 20 10 FDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCN1C ZINC000914291324 872242102 /nfs/dbraw/zinc/24/21/02/872242102.db2.gz JSRPWXXPBRTNNM-QGPMSJSTSA-N 0 3 373.501 1.280 20 10 FDCDHN CN1CCC[C@@H]1C(=O)NCc1cc(NC(=O)[C@H]2CCCN2C)ccc1O ZINC000923119194 888082638 /nfs/dbraw/zinc/08/26/38/888082638.db2.gz ZNGRXSZYGDPADV-HZPDHXFCSA-N 0 3 360.458 1.135 20 10 FDCDHN Cn1nc2c(c1CNCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCC2 ZINC000921575557 908455348 /nfs/dbraw/zinc/45/53/48/908455348.db2.gz SFCLDQBLNVCEMO-MRXNPFEDSA-N 0 3 367.497 1.900 20 10 FDCDHN CC[NH+]1CCC(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000769753165 929641570 /nfs/dbraw/zinc/64/15/70/929641570.db2.gz NZAPUICFZZJFCC-UHFFFAOYSA-N 0 3 355.460 1.320 20 10 FDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000787750391 932385467 /nfs/dbraw/zinc/38/54/67/932385467.db2.gz GUWKYBLZIBALJR-KRWDZBQOSA-N 0 3 372.513 1.894 20 10 FDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000787751223 932386583 /nfs/dbraw/zinc/38/65/83/932386583.db2.gz LHGZKTPPMJFKSO-CYBMUJFWSA-N 0 3 370.544 1.732 20 10 FDCDHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c(C)n1-c1ccccn1 ZINC000808159869 940523905 /nfs/dbraw/zinc/52/39/05/940523905.db2.gz LFHKIFHSAUBSOT-IRXDYDNUSA-N 0 3 354.454 1.770 20 10 FDCDHN C[C@](O)(CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000818967970 943385826 /nfs/dbraw/zinc/38/58/26/943385826.db2.gz HEIZOOKCSVXWNL-CJNGLKHVSA-N 0 3 359.392 1.791 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cc(C)ccn3)CC2)cc1 ZINC000819333058 943530257 /nfs/dbraw/zinc/53/02/57/943530257.db2.gz FTUGFTZMZVDOBM-FQEVSTJZSA-N 0 3 370.497 1.671 20 10 FDCDHN NC1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000844190910 947826137 /nfs/dbraw/zinc/82/61/37/947826137.db2.gz FOIFCKZXEAVLGF-UHFFFAOYSA-N 0 3 370.432 1.050 20 10 FDCDHN Oc1cc(O)c(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c(O)c1 ZINC001144509107 949784928 /nfs/dbraw/zinc/78/49/28/949784928.db2.gz LFDQWKQWUQMKDS-HNJNHCNJSA-N 0 3 373.409 1.652 20 10 FDCDHN COc1ccc(N(C)CCN(C)C[C@](O)(C(N)=O)c2ccccc2)cc1 ZINC000852211742 967104021 /nfs/dbraw/zinc/10/40/21/967104021.db2.gz PNFXBCNLDHJKJF-HXUWFJFHSA-N 0 3 357.454 1.436 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C)[C@H]1CCO)cc2=O ZINC000852458655 967340366 /nfs/dbraw/zinc/34/03/66/967340366.db2.gz JOKDOVSNSOONOU-IUODEOHRSA-N 0 3 362.430 1.595 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4COC[C@H]4C3)CC2)cc1 ZINC000852668719 967519790 /nfs/dbraw/zinc/51/97/90/967519790.db2.gz GFQIPBTXIRHITH-IAGOWNOFSA-N 0 3 359.470 1.312 20 10 FDCDHN NC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)Cc2ccccc2C1 ZINC000852917229 967706272 /nfs/dbraw/zinc/70/62/72/967706272.db2.gz YNGBPPPLUGXUNZ-UHFFFAOYSA-N 0 3 365.477 1.760 20 10 FDCDHN CCC1(N2CCOCC2)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000863328101 972812116 /nfs/dbraw/zinc/81/21/16/972812116.db2.gz IIAQSGLGQQHOGG-GOSISDBHSA-N 0 3 362.470 1.895 20 10 FDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c1[O-] ZINC000866554818 975784509 /nfs/dbraw/zinc/78/45/09/975784509.db2.gz USQJPSCTVXGYER-SJCJKPOMSA-N 0 3 354.834 1.632 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c1[O-] ZINC000848546278 976897318 /nfs/dbraw/zinc/89/73/18/976897318.db2.gz XDNSYZSHRYVRSO-QMMMGPOBSA-N 0 3 372.219 1.366 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c1[O-] ZINC000848546277 976898036 /nfs/dbraw/zinc/89/80/36/976898036.db2.gz XDNSYZSHRYVRSO-MRVPVSSYSA-N 0 3 372.219 1.366 20 10 FDCDHN COCCC1CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000849326564 977428494 /nfs/dbraw/zinc/42/84/94/977428494.db2.gz GKZURGKTGZRYAS-LJQANCHMSA-N 0 3 363.502 1.146 20 10 FDCDHN NC(=O)[C@@](O)(C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000851840933 979095332 /nfs/dbraw/zinc/09/53/32/979095332.db2.gz MFNADPRYRSTOJQ-GHTZIAJQSA-N 0 3 370.449 1.746 20 10 FDCDHN NC(=O)[C@@](O)(C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000851840933 979095335 /nfs/dbraw/zinc/09/53/35/979095335.db2.gz MFNADPRYRSTOJQ-GHTZIAJQSA-N 0 3 370.449 1.746 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCc4nc[nH]c4C3)cc2)CC1 ZINC000881853070 980217160 /nfs/dbraw/zinc/21/71/60/980217160.db2.gz IMPIHMCFHWZIRZ-MRXNPFEDSA-N 0 3 353.470 1.583 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCc4[nH]cnc4C3)cc2)CC1 ZINC000881853070 980217164 /nfs/dbraw/zinc/21/71/64/980217164.db2.gz IMPIHMCFHWZIRZ-MRXNPFEDSA-N 0 3 353.470 1.583 20 10 FDCDHN CCc1cc(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)[nH]n1 ZINC000883434094 982141418 /nfs/dbraw/zinc/14/14/18/982141418.db2.gz GQYWXCIRAOJJEH-UHFFFAOYSA-N 0 3 356.474 1.723 20 10 FDCDHN CCc1cc(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)n[nH]1 ZINC000883434094 982141428 /nfs/dbraw/zinc/14/14/28/982141428.db2.gz GQYWXCIRAOJJEH-UHFFFAOYSA-N 0 3 356.474 1.723 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN2CCC1CC2 ZINC000367063356 988913065 /nfs/dbraw/zinc/91/30/65/988913065.db2.gz VKRYHMWYHDZLDG-UHFFFAOYSA-N 0 3 362.449 1.652 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000297900561 989759934 /nfs/dbraw/zinc/75/99/34/989759934.db2.gz RQDSNYFOHWUPBP-UHFFFAOYSA-N 0 3 360.502 1.654 20 10 FDCDHN COc1ccc(N2CCC(N(C)CC(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000370865312 990058655 /nfs/dbraw/zinc/05/86/55/990058655.db2.gz QKTRZPBLIIVLTC-IBGZPJMESA-N 0 3 361.486 1.891 20 10 FDCDHN CCO[C@@H]1C[C@@](CO)(NCC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000298615168 990197662 /nfs/dbraw/zinc/19/76/62/990197662.db2.gz UERASMLGUXNFCS-XLIONFOSSA-N 0 3 363.502 1.525 20 10 FDCDHN COc1ccc(N2CCC(N(C)C(=O)[C@H](N)C3CCOCC3)CC2)cc1 ZINC000374600960 992907035 /nfs/dbraw/zinc/90/70/35/992907035.db2.gz GDIHBKZTEZXNFF-LJQANCHMSA-N 0 3 361.486 1.876 20 10 FDCDHN CN1CCN(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C(=O)C1 ZINC000374752320 992936096 /nfs/dbraw/zinc/93/60/96/992936096.db2.gz ROXHLUAPROAVTJ-UHFFFAOYSA-N 0 3 372.513 1.262 20 10 FDCDHN COC[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCCCN1 ZINC000876931795 992972230 /nfs/dbraw/zinc/97/22/30/992972230.db2.gz VWHUFWDWGQHHGT-OXQOHEQNSA-N 0 3 361.486 1.796 20 10 FDCDHN O=S1(=O)CCN(c2ccc(CNCc3ccc(CO)cc3)cc2)CC1 ZINC000877030416 993020382 /nfs/dbraw/zinc/02/03/82/993020382.db2.gz GAXPTGQRXLWCTK-UHFFFAOYSA-N 0 3 360.479 1.704 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCN(C)[C@@H](C(C)C)C3)CC2)cc1 ZINC000879599952 995071804 /nfs/dbraw/zinc/07/18/04/995071804.db2.gz YNMQXNRBOOLDCD-HXUWFJFHSA-N 0 3 374.529 1.616 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C3CCC3)CC1)cc2=O ZINC000265115811 997702865 /nfs/dbraw/zinc/70/28/65/997702865.db2.gz INPUNNXXNRKZLJ-UHFFFAOYSA-N 0 3 359.430 1.282 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266734762 999222528 /nfs/dbraw/zinc/22/25/28/999222528.db2.gz LKQMMHUJTYRNOE-LJQANCHMSA-N 0 3 356.470 1.679 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCC=CO2)N(C)C)cc1 ZINC000930082696 1002794941 /nfs/dbraw/zinc/79/49/41/1002794941.db2.gz UBPPIKMEBXSAAK-QZTJIDSGSA-N 0 3 374.485 1.280 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCC=CO2)N(C)C)cc1 ZINC000930082698 1002795280 /nfs/dbraw/zinc/79/52/80/1002795280.db2.gz UBPPIKMEBXSAAK-ZWKOTPCHSA-N 0 3 374.485 1.280 20 10 FDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638134952 1006362419 /nfs/dbraw/zinc/36/24/19/1006362419.db2.gz XZGUJOYWDZQBEK-GOSISDBHSA-N 0 3 368.481 1.937 20 10 FDCDHN COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779144105 1007437129 /nfs/dbraw/zinc/43/71/29/1007437129.db2.gz MJAJZJJYSXTGKS-RTBURBONSA-N 0 3 361.486 1.591 20 10 FDCDHN FC(F)(F)[C@@H](CNCc1ccc(N2CCOCC2)cc1)N1CCOCC1 ZINC000796514267 1017428828 /nfs/dbraw/zinc/42/88/28/1017428828.db2.gz IGTBFFMFHKMMLL-QGZVFWFLSA-N 0 3 373.419 1.876 20 10 FDCDHN COc1cc(O)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1OC ZINC000271065085 674304434 /nfs/dbraw/zinc/30/44/34/674304434.db2.gz CCJOORFHPCQTKO-LBPRGKRZSA-N 0 3 358.460 1.171 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C[NH+]1CCCCC1 ZINC000068115351 523701545 /nfs/dbraw/zinc/70/15/45/523701545.db2.gz BDLBUVWWFVTIEE-ZDUSSCGKSA-N 0 3 369.487 1.616 20 10 FDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1OC ZINC000160184597 524826274 /nfs/dbraw/zinc/82/62/74/524826274.db2.gz QTUXDOABLMFXLP-HNNXBMFYSA-N 0 3 350.459 1.954 20 10 FDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1OC ZINC000160184597 524826284 /nfs/dbraw/zinc/82/62/84/524826284.db2.gz QTUXDOABLMFXLP-HNNXBMFYSA-N 0 3 350.459 1.954 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC000152935444 525051630 /nfs/dbraw/zinc/05/16/30/525051630.db2.gz SMAZZJHVEDVKII-YLJYHZDGSA-N 0 3 373.497 1.845 20 10 FDCDHN CCOC[C@H]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000176333132 525083049 /nfs/dbraw/zinc/08/30/49/525083049.db2.gz KJJDTFCSPWXPBT-KRWDZBQOSA-N 0 3 361.486 1.702 20 10 FDCDHN CCN1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000104951236 525452833 /nfs/dbraw/zinc/45/28/33/525452833.db2.gz STALJUVFKDFRJX-UHFFFAOYSA-N 0 3 360.502 1.371 20 10 FDCDHN COCCN(CCN(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000105179457 525473363 /nfs/dbraw/zinc/47/33/63/525473363.db2.gz CYLRDFSEHRUAEX-UHFFFAOYSA-N 0 3 364.490 1.243 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000178884503 525498009 /nfs/dbraw/zinc/49/80/09/525498009.db2.gz KZFGKFOQSRSMIK-GOSISDBHSA-N 0 3 370.501 1.715 20 10 FDCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1C ZINC000154720025 525621536 /nfs/dbraw/zinc/62/15/36/525621536.db2.gz DVYPCWVWQWZWIN-UHFFFAOYSA-N 0 3 373.497 1.945 20 10 FDCDHN COc1cc(Cl)cc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1O ZINC000184701065 536176761 /nfs/dbraw/zinc/17/67/61/536176761.db2.gz OUIOFIDLEUDVOG-HNNXBMFYSA-N 0 3 367.877 1.793 20 10 FDCDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000272508426 537287428 /nfs/dbraw/zinc/28/74/28/537287428.db2.gz WZGOGPFZNCJGLK-IEBWSBKVSA-N 0 3 358.486 1.759 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cc2)CC1 ZINC000280391436 537406442 /nfs/dbraw/zinc/40/64/42/537406442.db2.gz XTSDWDPNAXLJSD-FQEVSTJZSA-N 0 3 370.497 1.598 20 10 FDCDHN CSCC[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000237322848 537623344 /nfs/dbraw/zinc/62/33/44/537623344.db2.gz WDINVVRYBSRQQC-HNNXBMFYSA-N 0 3 355.479 1.483 20 10 FDCDHN N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000237810349 537641865 /nfs/dbraw/zinc/64/18/65/537641865.db2.gz OJCIHLCOAXGQCO-SFHVURJKSA-N 0 3 357.429 1.849 20 10 FDCDHN CCOc1ccc([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285413028 537705978 /nfs/dbraw/zinc/70/59/78/537705978.db2.gz GCAXFZWSDMLYEM-ALOPSCKCSA-N 0 3 361.486 1.964 20 10 FDCDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285672578 537744798 /nfs/dbraw/zinc/74/47/98/537744798.db2.gz ISNOTBSVSDXKDT-QGZVFWFLSA-N 0 3 372.513 1.485 20 10 FDCDHN CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000285733056 537752362 /nfs/dbraw/zinc/75/23/62/537752362.db2.gz OKOYSYDTDCATHC-KRWDZBQOSA-N 0 3 358.486 1.238 20 10 FDCDHN COc1ccc(O)c([C@H](C)N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034572 537973161 /nfs/dbraw/zinc/97/31/61/537973161.db2.gz BQDDFBWOSXRUBW-ZFWWWQNUSA-N 0 3 368.499 1.703 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000561999582 546006606 /nfs/dbraw/zinc/00/66/06/546006606.db2.gz PDLTXOCRWXWHBL-UKRRQHHQSA-N 0 3 356.470 1.702 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000573005772 550044172 /nfs/dbraw/zinc/04/41/72/550044172.db2.gz BAJGEWAJEVKAKR-MRXNPFEDSA-N 0 3 370.497 1.903 20 10 FDCDHN COCCOCCN(C)CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000635628512 558742908 /nfs/dbraw/zinc/74/29/08/558742908.db2.gz LUQFKWSSLUBLNK-UHFFFAOYSA-N 0 3 365.474 1.463 20 10 FDCDHN CN(C)CCN1C[C@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000074675948 671413282 /nfs/dbraw/zinc/41/32/82/671413282.db2.gz QFRIXGFGNUMUMY-GFCCVEGCSA-N 0 3 356.517 1.152 20 10 FDCDHN CCN(CC)c1ccc(CN(CCO)CCN2CCOCC2)cc1F ZINC000092186546 671515081 /nfs/dbraw/zinc/51/50/81/671515081.db2.gz HFUCDPNGNXCWGD-UHFFFAOYSA-N 0 3 353.482 1.798 20 10 FDCDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2[O-])c1 ZINC000238099731 672433781 /nfs/dbraw/zinc/43/37/81/672433781.db2.gz VPWLBMWMRPHKHP-UHFFFAOYSA-N 0 3 351.384 1.369 20 10 FDCDHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000266474764 673127428 /nfs/dbraw/zinc/12/74/28/673127428.db2.gz MKZWIMRORRPEDF-ZDUSSCGKSA-N 0 3 369.487 1.568 20 10 FDCDHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000266474764 673127431 /nfs/dbraw/zinc/12/74/31/673127431.db2.gz MKZWIMRORRPEDF-ZDUSSCGKSA-N 0 3 369.487 1.568 20 10 FDCDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296331477 676417714 /nfs/dbraw/zinc/41/77/14/676417714.db2.gz HIIXNSVZFKTTGP-HIFRSBDPSA-N 0 3 373.494 1.641 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)cc1F ZINC000297236539 676425300 /nfs/dbraw/zinc/42/53/00/676425300.db2.gz NOOSZGQNTHIJNP-OAHLLOKOSA-N 0 3 352.454 1.538 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000359960313 676859229 /nfs/dbraw/zinc/85/92/29/676859229.db2.gz ZKWMVIRGTMPDLW-APPDUMDISA-N 0 3 367.833 1.864 20 10 FDCDHN Cc1n[nH]c(=O)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891252063 774125219 /nfs/dbraw/zinc/12/52/19/774125219.db2.gz FLMQGDJRLAPFOU-INIZCTEOSA-N 0 3 357.458 1.898 20 10 FDCDHN CC[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)N1CCCC1=O ZINC000891254182 774150242 /nfs/dbraw/zinc/15/02/42/774150242.db2.gz XBHGEHQXGNCUPB-ZWKOTPCHSA-N 0 3 360.502 1.873 20 10 FDCDHN Cc1nc(C)c(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(=O)[n-]1 ZINC000891255007 774152494 /nfs/dbraw/zinc/15/24/94/774152494.db2.gz MPKARBLMGLZLTM-SFHVURJKSA-N 0 3 371.485 1.827 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCn2cccn2)N(C)C)cc1 ZINC000891789498 779426324 /nfs/dbraw/zinc/42/63/24/779426324.db2.gz MKUCRUGUQWXKFH-GOSISDBHSA-N 0 3 358.490 1.941 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2cnccn2)N(C)C)cc1 ZINC000894009955 809855121 /nfs/dbraw/zinc/85/51/21/809855121.db2.gz QGYXIRRDWLJCON-GOSISDBHSA-N 0 3 356.474 1.687 20 10 FDCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ncnn1C ZINC000894381997 817962627 /nfs/dbraw/zinc/96/26/27/817962627.db2.gz XBEYRUSYKLLQJU-XJKSGUPXSA-N 0 3 359.478 1.544 20 10 FDCDHN CNC(=O)C1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCOCC1 ZINC000895883865 822783612 /nfs/dbraw/zinc/78/36/12/822783612.db2.gz FTZZUNUZSRQWDO-UHFFFAOYSA-N 0 3 357.248 1.848 20 10 FDCDHN CCc1cccc(CNCC(=O)NCC(=O)NCc2ccccc2)c1O ZINC000896890153 825846885 /nfs/dbraw/zinc/84/68/85/825846885.db2.gz ZJIBOZDGQJIBNJ-UHFFFAOYSA-N 0 3 355.438 1.477 20 10 FDCDHN CC(C)(C)OC(=O)N1CC(N2C[C@@H]([NH2+]Cc3ccccc3[O-])CC2=O)C1 ZINC000898533037 844831181 /nfs/dbraw/zinc/83/11/81/844831181.db2.gz UZIJHXSDJFNMDW-AWEZNQCLSA-N 0 3 361.442 1.702 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](O)[C@@H](F)C2)N(C)C)cc1 ZINC000899095713 845756345 /nfs/dbraw/zinc/75/63/45/845756345.db2.gz LEBBPTVKSTVVDF-ULQDDVLXSA-N 0 3 352.454 1.470 20 10 FDCDHN C[C@@H]1OCC[C@@]1(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105541 845780507 /nfs/dbraw/zinc/78/05/07/845780507.db2.gz XUEMYFXVRFLKQQ-UCLAIMLFSA-N 0 3 364.490 1.194 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)N(C)C)cc1 ZINC000899098429 845791545 /nfs/dbraw/zinc/79/15/45/845791545.db2.gz NYFNGBOOVUKSFT-NQYYFHDYSA-N 0 3 360.502 1.768 20 10 FDCDHN CC(=O)N[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899098823 845792369 /nfs/dbraw/zinc/79/23/69/845792369.db2.gz SRLJXPCSQPIKLT-AEFFLSMTSA-N 0 3 361.490 1.275 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CCn2cccn2)N(C)C)cc1 ZINC000899100870 845798645 /nfs/dbraw/zinc/79/86/45/845798645.db2.gz FIYZVARCDFYOJS-GOSISDBHSA-N 0 3 358.490 1.893 20 10 FDCDHN CN(CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000899472027 846275028 /nfs/dbraw/zinc/27/50/28/846275028.db2.gz FAQBZLJNEHDFDF-UHFFFAOYSA-N 0 3 358.486 1.489 20 10 FDCDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1CCn1cccn1 ZINC001089067948 866474556 /nfs/dbraw/zinc/47/45/56/866474556.db2.gz DKWPBDUFCDDIFN-CJNGLKHVSA-N 0 3 369.429 1.938 20 10 FDCDHN CS[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000762359394 875807605 /nfs/dbraw/zinc/80/76/05/875807605.db2.gz NJCSJBXXQZEVSV-QZTJIDSGSA-N 0 3 364.559 1.688 20 10 FDCDHN COc1cccc(CNCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c1O ZINC000922494941 878334050 /nfs/dbraw/zinc/33/40/50/878334050.db2.gz BTALGUANEYLVGL-UHFFFAOYSA-N 0 3 359.304 1.515 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000919404458 885709115 /nfs/dbraw/zinc/70/91/15/885709115.db2.gz MCXXUVQYNYBRPK-CYBMUJFWSA-N 0 3 351.422 1.831 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000920451870 886946288 /nfs/dbraw/zinc/94/62/88/886946288.db2.gz PTKSUWAIRBRNJK-QWHCGFSZSA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@H+]1CCC[C@H](C)C1 ZINC000920451870 886946289 /nfs/dbraw/zinc/94/62/89/886946289.db2.gz PTKSUWAIRBRNJK-QWHCGFSZSA-N 0 3 369.487 1.614 20 10 FDCDHN C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769763211 929647193 /nfs/dbraw/zinc/64/71/93/929647193.db2.gz WOIXDRRDEXOAOP-ZDUSSCGKSA-N 0 3 355.460 1.320 20 10 FDCDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000793898029 938342463 /nfs/dbraw/zinc/34/24/63/938342463.db2.gz VHPUWHROYGHZAB-IRXDYDNUSA-N 0 3 374.529 1.948 20 10 FDCDHN CSCC[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)N(C)C ZINC000808438828 940547469 /nfs/dbraw/zinc/54/74/69/940547469.db2.gz ORVZNQSDBXPCQK-KRWDZBQOSA-N 0 3 351.516 1.823 20 10 FDCDHN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701625 940880389 /nfs/dbraw/zinc/88/03/89/940880389.db2.gz ZYZBVHDZDRNTHZ-AEFFLSMTSA-N 0 3 363.477 1.957 20 10 FDCDHN Cc1cc(Br)cc(CN2CCC(C(=O)NCCO)CC2)c1O ZINC000775652062 970925761 /nfs/dbraw/zinc/92/57/61/970925761.db2.gz FQWZJTFZCJBDEC-UHFFFAOYSA-N 0 3 371.275 1.784 20 10 FDCDHN Cc1cc(Br)cc(C[NH+]2CCC(C(=O)NCCO)CC2)c1[O-] ZINC000775652062 970925762 /nfs/dbraw/zinc/92/57/62/970925762.db2.gz FQWZJTFZCJBDEC-UHFFFAOYSA-N 0 3 371.275 1.784 20 10 FDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCCNCC1 ZINC000817991085 943125780 /nfs/dbraw/zinc/12/57/80/943125780.db2.gz KJWHGIDCZZPZHV-UHFFFAOYSA-N 0 3 358.486 1.457 20 10 FDCDHN C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)CN1CCN(C)CC1 ZINC000819163966 943455826 /nfs/dbraw/zinc/45/58/26/943455826.db2.gz CWCZMIZYVALDFB-OAHLLOKOSA-N 0 3 360.458 1.040 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cccnc3F)CC2)cc1 ZINC000819276211 943522876 /nfs/dbraw/zinc/52/28/76/943522876.db2.gz FTVIVLXXQKARBJ-SFHVURJKSA-N 0 3 374.460 1.502 20 10 FDCDHN O=C(CN1C(=O)CSC1=S)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001144848244 951208537 /nfs/dbraw/zinc/20/85/37/951208537.db2.gz IMDVRZRTXSGNGI-AWEZNQCLSA-N 0 3 363.508 1.800 20 10 FDCDHN C[C@@H]1COCCN1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000846911877 951712582 /nfs/dbraw/zinc/71/25/82/951712582.db2.gz KUVWWRKHWDBYKP-QGZVFWFLSA-N 0 3 374.529 1.554 20 10 FDCDHN CC(C)(C)OC(=O)N1C[C@H](NC[C@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001171680363 961241723 /nfs/dbraw/zinc/24/17/23/961241723.db2.gz VADGQYHVERRRFK-RISCZKNCSA-N 0 3 352.387 1.257 20 10 FDCDHN CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001183355861 962981322 /nfs/dbraw/zinc/98/13/22/962981322.db2.gz WRHLQHBPKWBCRR-UHFFFAOYSA-N 0 3 364.467 1.950 20 10 FDCDHN C[C@@H](NCC(=O)N1CCOC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775260931 967027998 /nfs/dbraw/zinc/02/79/98/967027998.db2.gz RKUHPRAIKOFHJO-UZLBHIALSA-N 0 3 373.497 1.811 20 10 FDCDHN COc1ncc(/C=C\C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cn1 ZINC000775874872 973315544 /nfs/dbraw/zinc/31/55/44/973315544.db2.gz KQHWRMOYEKIJFZ-WHLNPGIBSA-N 0 3 354.410 1.854 20 10 FDCDHN Fc1cc(CNCc2ccnc(-n3cncn3)c2)ccc1N1CCOCC1 ZINC000865680705 974418416 /nfs/dbraw/zinc/41/84/16/974418416.db2.gz BDLIZQOXGPFMQA-UHFFFAOYSA-N 0 3 368.416 1.928 20 10 FDCDHN COc1ccc(N2CCN(S(=O)(=O)CCCN(C)C)CC2)c(OC)c1 ZINC000867732068 976736400 /nfs/dbraw/zinc/73/64/00/976736400.db2.gz XOIYMIQEMRQJLB-UHFFFAOYSA-N 0 3 371.503 1.107 20 10 FDCDHN COc1cc(Br)cc([C@H](C)NCCS(C)(=O)=O)c1O ZINC000848524581 976890242 /nfs/dbraw/zinc/89/02/42/976890242.db2.gz HDAHTEUIWUCJIC-QMMMGPOBSA-N 0 3 352.250 1.859 20 10 FDCDHN COc1ccc(N2CCC(N[C@@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc1 ZINC000850360786 978336326 /nfs/dbraw/zinc/33/63/26/978336326.db2.gz JLNMTESSZREUKZ-IAGOWNOFSA-N 0 3 354.472 1.066 20 10 FDCDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000851655043 978985846 /nfs/dbraw/zinc/98/58/46/978985846.db2.gz NMQIIDAFHJWSIM-UHFFFAOYSA-N 0 3 356.430 1.241 20 10 FDCDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000851656462 978986575 /nfs/dbraw/zinc/98/65/75/978986575.db2.gz KBTGKMYUAMHQCQ-UHFFFAOYSA-N 0 3 354.414 1.017 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000852009720 979271397 /nfs/dbraw/zinc/27/13/97/979271397.db2.gz ORDFVDCOMOQNLJ-HXUWFJFHSA-N 0 3 374.529 1.556 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1F ZINC000862364895 984360227 /nfs/dbraw/zinc/36/02/27/984360227.db2.gz IVTWNBFOQSAXIP-XIKOKIGWSA-N 0 3 366.412 1.983 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C)c3ccnn3C)CC2)cc1 ZINC000872240678 987536746 /nfs/dbraw/zinc/53/67/46/987536746.db2.gz YSCFXEQIKNHVMU-AEFFLSMTSA-N 0 3 373.501 1.262 20 10 FDCDHN COC(=O)C[C@]1(NCc2ccc(OC)c(Cn3cccn3)c2)CCOC1 ZINC000873106827 988566149 /nfs/dbraw/zinc/56/61/49/988566149.db2.gz UORRQJYHUYIAFB-LJQANCHMSA-N 0 3 359.426 1.752 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000875250620 991194156 /nfs/dbraw/zinc/19/41/56/991194156.db2.gz DOWIUEPMDKPDNC-IBGZPJMESA-N 0 3 372.513 1.810 20 10 FDCDHN COC[C@]1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCCCN1 ZINC000876742148 992859632 /nfs/dbraw/zinc/85/96/32/992859632.db2.gz RFTZSBZDSZQFAX-UZLBHIALSA-N 0 3 361.486 1.859 20 10 FDCDHN Cc1cc(Br)cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877668675 993427567 /nfs/dbraw/zinc/42/75/67/993427567.db2.gz SSCPRTRYIFJDEM-HOTGVXAUSA-N 0 3 367.243 1.948 20 10 FDCDHN Cc1ccc([C@@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c(O)c1 ZINC000926962510 996374397 /nfs/dbraw/zinc/37/43/97/996374397.db2.gz AYCQKANZTPBCAO-OAHLLOKOSA-N 0 3 355.438 1.784 20 10 FDCDHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000826531510 996883421 /nfs/dbraw/zinc/88/34/21/996883421.db2.gz MXFODLJVUOOQDC-HUUCEWRRSA-N 0 3 361.490 1.575 20 10 FDCDHN CN1CCN(CCCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264673495 997566551 /nfs/dbraw/zinc/56/65/51/997566551.db2.gz XIIRPOZIUYICGV-VMPITWQZSA-N 0 3 372.513 1.290 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC2=CCCC2)N(C)C)cc1 ZINC000931015913 1003775178 /nfs/dbraw/zinc/77/51/78/1003775178.db2.gz JSLKDOXSMCTWIG-GOSISDBHSA-N 0 3 358.486 1.698 20 10 FDCDHN COc1cc(O)c(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1OC ZINC000795655028 1007393426 /nfs/dbraw/zinc/39/34/26/1007393426.db2.gz QRAQDLHVTUTGGR-ZDUSSCGKSA-N 0 3 372.487 1.513 20 10 FDCDHN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779144103 1007436971 /nfs/dbraw/zinc/43/69/71/1007436971.db2.gz MJAJZJJYSXTGKS-OALUTQOASA-N 0 3 361.486 1.591 20 10 FDCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269256386 674108087 /nfs/dbraw/zinc/10/80/87/674108087.db2.gz SHSFQVLHMYNPMJ-QGZVFWFLSA-N 0 3 351.516 1.592 20 10 FDCDHN COc1ccc(N2CCCN(CCN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000052467014 523181154 /nfs/dbraw/zinc/18/11/54/523181154.db2.gz JNROVTURYMDSLD-UHFFFAOYSA-N 0 3 360.458 1.538 20 10 FDCDHN COc1ccc(N2CCCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000053775248 523505907 /nfs/dbraw/zinc/50/59/07/523505907.db2.gz ZJMNYFYHGFNOPN-UHFFFAOYSA-N 0 3 374.485 1.928 20 10 FDCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000122312125 524506296 /nfs/dbraw/zinc/50/62/96/524506296.db2.gz AWVUJPHFOLFIDE-NVXWUHKLSA-N 0 3 358.486 1.948 20 10 FDCDHN CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)O ZINC000114487092 524820237 /nfs/dbraw/zinc/82/02/37/524820237.db2.gz QTCZHNWBQUZPDI-UHFFFAOYSA-N 0 3 367.465 1.371 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3C[C@@H](C)O)CC2)cc1 ZINC000152549479 524923166 /nfs/dbraw/zinc/92/31/66/524923166.db2.gz WRSMRNWGVSJYMC-AEFFLSMTSA-N 0 3 361.486 1.579 20 10 FDCDHN COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCN3C)CC2)cc1F ZINC000126796741 525352953 /nfs/dbraw/zinc/35/29/53/525352953.db2.gz HBZQGGPCOPWIQO-HNNXBMFYSA-N 0 3 350.438 1.760 20 10 FDCDHN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCOC1 ZINC000178369371 525418443 /nfs/dbraw/zinc/41/84/43/525418443.db2.gz QVVVEYIUWBJNGY-MRXNPFEDSA-N 0 3 365.449 1.247 20 10 FDCDHN CC[C@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034047 525793205 /nfs/dbraw/zinc/79/32/05/525793205.db2.gz OGLUWFLDCBQYHV-ICSRJNTNSA-N 0 3 374.529 1.726 20 10 FDCDHN CC[C@@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034064 525794187 /nfs/dbraw/zinc/79/41/87/525794187.db2.gz OGLUWFLDCBQYHV-AZUAARDMSA-N 0 3 374.529 1.726 20 10 FDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000181202976 525819318 /nfs/dbraw/zinc/81/93/18/525819318.db2.gz VPBYQFWRKFAYMM-JHTBKMLMSA-N 0 3 368.433 1.646 20 10 FDCDHN COCCN1CCC(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000108787197 526025605 /nfs/dbraw/zinc/02/56/05/526025605.db2.gz URYYXWVAULYBAU-QPJJXVBHSA-N 0 3 373.497 1.763 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CCSCC2)N(C)C)cc1 ZINC000934313514 782168119 /nfs/dbraw/zinc/16/81/19/782168119.db2.gz LGGAAJDHNABGJY-MRXNPFEDSA-N 0 3 364.515 1.047 20 10 FDCDHN O=S1(=O)CCC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000182572064 535826925 /nfs/dbraw/zinc/82/69/25/535826925.db2.gz LECBZTOWZILEKZ-QGZVFWFLSA-N 0 3 352.500 1.562 20 10 FDCDHN CC(C)(C)[C@@H](CO)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000193097787 537239910 /nfs/dbraw/zinc/23/99/10/537239910.db2.gz ZODUKCBJCYJWGQ-QGZVFWFLSA-N 0 3 367.465 1.275 20 10 FDCDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000285794158 537289055 /nfs/dbraw/zinc/28/90/55/537289055.db2.gz UXQICMCOLOMGIG-HIFRSBDPSA-N 0 3 364.465 1.449 20 10 FDCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC000283336183 537371840 /nfs/dbraw/zinc/37/18/40/537371840.db2.gz CWNXGXXZDCHUPY-MRXNPFEDSA-N 0 3 360.502 1.605 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@]1(C)CCO[C@H]1C1CC1)cc2=O ZINC000273020351 537380297 /nfs/dbraw/zinc/38/02/97/537380297.db2.gz DLRAAVJFCJPJMX-YJBOKZPZSA-N 0 3 360.414 1.659 20 10 FDCDHN CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275967620 537601164 /nfs/dbraw/zinc/60/11/64/537601164.db2.gz WPZCZJSXOXQRRG-VIFPVBQESA-N 0 3 351.266 1.663 20 10 FDCDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1Cc2cccc(F)c2O1 ZINC000237797691 537640681 /nfs/dbraw/zinc/64/06/81/537640681.db2.gz BKKYDZYJPJFHFF-GOSISDBHSA-N 0 3 373.403 1.994 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000564681373 547000247 /nfs/dbraw/zinc/00/02/47/547000247.db2.gz OPPFYCSDEHDGSS-HNNXBMFYSA-N 0 3 354.454 1.410 20 10 FDCDHN CS[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000271998803 674404316 /nfs/dbraw/zinc/40/43/16/674404316.db2.gz HSBXKRKYRUGEKL-IAGOWNOFSA-N 0 3 350.532 1.346 20 10 FDCDHN CN1CCN(c2ccc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000775643830 970764061 /nfs/dbraw/zinc/76/40/61/970764061.db2.gz VFOOIINVQREQQB-FQEVSTJZSA-N 0 3 372.513 1.262 20 10 FDCDHN CN(C)c1ccc(CNCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000264698401 672921410 /nfs/dbraw/zinc/92/14/10/672921410.db2.gz GJKNHIUBTUMADE-QGZVFWFLSA-N 0 3 355.504 1.331 20 10 FDCDHN CCOc1cccc(CNCCS(=O)(=O)NC[C@H]2CCCCO2)c1O ZINC000264741479 672923676 /nfs/dbraw/zinc/92/36/76/672923676.db2.gz OZCYAPDTXSQHSW-OAHLLOKOSA-N 0 3 372.487 1.369 20 10 FDCDHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265014876 672927989 /nfs/dbraw/zinc/92/79/89/672927989.db2.gz DATPPAFFQZIJGV-CQSZACIVSA-N 0 3 369.487 1.758 20 10 FDCDHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265014876 672927992 /nfs/dbraw/zinc/92/79/92/672927992.db2.gz DATPPAFFQZIJGV-CQSZACIVSA-N 0 3 369.487 1.758 20 10 FDCDHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267371078 673296877 /nfs/dbraw/zinc/29/68/77/673296877.db2.gz STOBJOMRLSYTSG-YPMHNXCESA-N 0 3 355.460 1.366 20 10 FDCDHN CO[C@]1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCSC1 ZINC000891242343 774037195 /nfs/dbraw/zinc/03/71/95/774037195.db2.gz FCMHJOGBCYVNHR-SJLPKXTDSA-N 0 3 351.516 1.994 20 10 FDCDHN COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891245764 774081574 /nfs/dbraw/zinc/08/15/74/774081574.db2.gz ITXLGJKJOIOMES-ZACQAIPSSA-N 0 3 363.458 1.192 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3nccn3C2)N(C)C)cc1 ZINC000891248374 774097038 /nfs/dbraw/zinc/09/70/38/774097038.db2.gz LZFWEYXGABUIQE-AEFFLSMTSA-N 0 3 355.486 1.931 20 10 FDCDHN Cc1ccn(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(=O)c1 ZINC000891249395 774107247 /nfs/dbraw/zinc/10/72/47/774107247.db2.gz SIZWVVQSGSQDMG-SFHVURJKSA-N 0 3 356.470 1.642 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc3c(c2)nnn3C)N(C)C)cc1 ZINC000891248724 774111157 /nfs/dbraw/zinc/11/11/57/774111157.db2.gz NMGMWAOXTCBYPO-KRWDZBQOSA-N 0 3 367.457 1.462 20 10 FDCDHN Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248951 774112906 /nfs/dbraw/zinc/11/29/06/774112906.db2.gz PAAJHIJEYWYQEU-QGZVFWFLSA-N 0 3 371.485 1.450 20 10 FDCDHN COc1ccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c(O)c1OC ZINC000891405825 776909635 /nfs/dbraw/zinc/90/96/35/776909635.db2.gz UIACXDMUXBCONK-LBPRGKRZSA-N 0 3 358.460 1.171 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCn2cncn2)N(C)C)cc1 ZINC000891781714 779380213 /nfs/dbraw/zinc/38/02/13/779380213.db2.gz IXVJWYMNPYQOGF-KRWDZBQOSA-N 0 3 359.478 1.336 20 10 FDCDHN CN1CCCc2cc(CN3C(=O)N[C@@H](CN4CCCCC4)C3=O)ccc21 ZINC000924544575 785311510 /nfs/dbraw/zinc/31/15/10/785311510.db2.gz XUVFOEOEOQNYCA-KRWDZBQOSA-N 0 3 356.470 1.975 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000186122122 794875490 /nfs/dbraw/zinc/87/54/90/794875490.db2.gz XWIJARGSAAFBBA-HUUCEWRRSA-N 0 3 364.490 1.787 20 10 FDCDHN COCCCN(C)CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000509724798 809719382 /nfs/dbraw/zinc/71/93/82/809719382.db2.gz PQPRQIFBTJCGDE-UHFFFAOYSA-N 0 3 374.485 1.187 20 10 FDCDHN O=C(CN1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1)N1CCCC1 ZINC000893927578 809818482 /nfs/dbraw/zinc/81/84/82/809818482.db2.gz DAFABZWCPXLVCK-UHFFFAOYSA-N 0 3 353.413 1.801 20 10 FDCDHN O=C(CN1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1)N1CCCC1 ZINC000893927578 809818488 /nfs/dbraw/zinc/81/84/88/809818488.db2.gz DAFABZWCPXLVCK-UHFFFAOYSA-N 0 3 353.413 1.801 20 10 FDCDHN COCC[C@@](C)(O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894259493 814178477 /nfs/dbraw/zinc/17/84/77/814178477.db2.gz VBOQSMANDLGLOE-GOSISDBHSA-N 0 3 352.406 1.981 20 10 FDCDHN O=S1(=O)CCC(NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000894980714 819432795 /nfs/dbraw/zinc/43/27/95/819432795.db2.gz XUONADNQWLSYLX-UHFFFAOYSA-N 0 3 360.426 1.468 20 10 FDCDHN COC(=O)C1=CC[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895969036 823846497 /nfs/dbraw/zinc/84/64/97/823846497.db2.gz IXQWDLWXSLIBBJ-FUHWJXTLSA-N 0 3 374.485 1.916 20 10 FDCDHN O=C1N[C@H](C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)CO1 ZINC000897026327 826789883 /nfs/dbraw/zinc/78/98/83/826789883.db2.gz JYICSTSTTNLMPP-KRWDZBQOSA-N 0 3 363.433 1.983 20 10 FDCDHN CN(C)c1ccc([C@H](CNCc2cn(C[C@H]3CCOC3)nn2)N(C)C)cc1 ZINC000898447197 844714032 /nfs/dbraw/zinc/71/40/32/844714032.db2.gz GSHRAFKWZQYZCM-UZLBHIALSA-N 0 3 372.517 1.773 20 10 FDCDHN COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CCS2(=O)=O ZINC000898487403 844775906 /nfs/dbraw/zinc/77/59/06/844775906.db2.gz FBVRTJGHUAFZEX-TVIZTDCDSA-N 0 3 371.430 1.520 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCc3nccnc3C2)N(C)C)cc1 ZINC000899097505 845759960 /nfs/dbraw/zinc/75/99/60/845759960.db2.gz BKWDOTAIMJAQIX-IBGZPJMESA-N 0 3 368.485 1.913 20 10 FDCDHN Cc1nc2n(n1)CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C2 ZINC000899103008 845775410 /nfs/dbraw/zinc/77/54/10/845775410.db2.gz UUWHMVZFNLXDKB-KRWDZBQOSA-N 0 3 371.489 1.481 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@@H]2COCCO2)N(C)C)cc1 ZINC000899099035 845792802 /nfs/dbraw/zinc/79/28/02/845792802.db2.gz UVROOOVYOJCMSX-QZTJIDSGSA-N 0 3 364.490 1.412 20 10 FDCDHN CC(=O)N[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899098826 845792931 /nfs/dbraw/zinc/79/29/31/845792931.db2.gz SRLJXPCSQPIKLT-WMZOPIPTSA-N 0 3 361.490 1.275 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](O)(C(F)F)C2)N(C)C)cc1 ZINC000899099288 845793753 /nfs/dbraw/zinc/79/37/53/845793753.db2.gz YKXZILVEZMLUHK-CRAIPNDOSA-N 0 3 370.444 1.767 20 10 FDCDHN C[C@H]1CN(C)C(=O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100604 845797882 /nfs/dbraw/zinc/79/78/82/845797882.db2.gz AYTGZBISTMGXGW-WMLDXEAASA-N 0 3 361.490 1.227 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)CC(=O)OC)cc2=O ZINC000761200382 864336047 /nfs/dbraw/zinc/33/60/47/864336047.db2.gz WEAJAXDWZOHTBT-UHFFFAOYSA-N 0 3 350.375 1.043 20 10 FDCDHN CC(C)(CNS(C)(=O)=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000922637516 878869112 /nfs/dbraw/zinc/86/91/12/878869112.db2.gz HKFWSSLXVMXFKZ-UHFFFAOYSA-N 0 3 359.467 1.080 20 10 FDCDHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000186701535 881103817 /nfs/dbraw/zinc/10/38/17/881103817.db2.gz FJUINPGIKQRIOZ-YLJYHZDGSA-N 0 3 361.486 1.876 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000888295355 888192546 /nfs/dbraw/zinc/19/25/46/888192546.db2.gz IPPRKNATWKNRGI-HNNXBMFYSA-N 0 3 361.490 1.322 20 10 FDCDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000736653277 924864244 /nfs/dbraw/zinc/86/42/44/924864244.db2.gz MFBSXVPLDCCCHF-QGZVFWFLSA-N 0 3 362.474 1.043 20 10 FDCDHN O=S1(=O)CCC(O)(CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000767426900 929275586 /nfs/dbraw/zinc/27/55/86/929275586.db2.gz VKARUPOKAKCPQF-MRXNPFEDSA-N 0 3 369.483 1.313 20 10 FDCDHN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCN(C2CC2)C1 ZINC000769823715 929686585 /nfs/dbraw/zinc/68/65/85/929686585.db2.gz NCWFCOWLCXCGBE-ZDUSSCGKSA-N 0 3 353.444 1.072 20 10 FDCDHN O=C(CN[C@@H](CO)C1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000771802013 930916780 /nfs/dbraw/zinc/91/67/80/930916780.db2.gz KKALGCQMNZEANB-KRWDZBQOSA-N 0 3 364.401 1.761 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000793901612 938334386 /nfs/dbraw/zinc/33/43/86/938334386.db2.gz MVMYVZUUSVACTQ-RDJZCZTQSA-N 0 3 374.529 1.914 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000804731893 938557566 /nfs/dbraw/zinc/55/75/66/938557566.db2.gz YCAQBIZDRVLRMY-QGZVFWFLSA-N 0 3 358.486 1.312 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000809867980 940913682 /nfs/dbraw/zinc/91/36/82/940913682.db2.gz XGOFHBLHTBETSO-SFHVURJKSA-N 0 3 374.529 1.948 20 10 FDCDHN CN1CCN(c2ccc(CN3CC[C@@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000814176772 941568264 /nfs/dbraw/zinc/56/82/64/941568264.db2.gz UEKCURWCZFXPEA-QGZVFWFLSA-N 0 3 351.516 1.305 20 10 FDCDHN CN1CCN(c2ccc(CN3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000775650073 970895532 /nfs/dbraw/zinc/89/55/32/970895532.db2.gz PDINEPJNORRJLZ-UHFFFAOYSA-N 0 3 352.486 1.551 20 10 FDCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000817811688 942965954 /nfs/dbraw/zinc/96/59/54/942965954.db2.gz OEGLROUFYVMZHL-HNNXBMFYSA-N 0 3 364.465 1.449 20 10 FDCDHN Oc1cc(O)c(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c(O)c1 ZINC001144514834 949802322 /nfs/dbraw/zinc/80/23/22/949802322.db2.gz UJGQJHNQWGPPRL-UHFFFAOYSA-N 0 3 370.331 1.934 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CC(F)(F)CN)cc2F)CC1 ZINC000846673588 951437537 /nfs/dbraw/zinc/43/75/37/951437537.db2.gz CRLUFUVKYCCPPD-UHFFFAOYSA-N 0 3 358.408 1.568 20 10 FDCDHN CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCN(C)C1 ZINC000853452444 968020518 /nfs/dbraw/zinc/02/05/18/968020518.db2.gz IPQVITPUQDEEMR-INIZCTEOSA-N 0 3 364.465 1.898 20 10 FDCDHN COCCN(CCN(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300893 968747954 /nfs/dbraw/zinc/74/79/54/968747954.db2.gz CRSPPMSBLUUOKE-INIZCTEOSA-N 0 3 364.490 1.494 20 10 FDCDHN CCN1CCN(CCC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000855230649 970225854 /nfs/dbraw/zinc/22/58/54/970225854.db2.gz GVXJLOOEFPXRCO-KRWDZBQOSA-N 0 3 360.502 1.418 20 10 FDCDHN CN1CCN(c2ccc(CN3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000775639358 970701693 /nfs/dbraw/zinc/70/16/93/970701693.db2.gz VNRLCRBKTWYDJS-UHFFFAOYSA-N 0 3 352.486 1.551 20 10 FDCDHN COCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001199270083 974104144 /nfs/dbraw/zinc/10/41/44/974104144.db2.gz DPKGSZISBKZLTL-HUUCEWRRSA-N 0 3 363.418 1.051 20 10 FDCDHN CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000865818476 974518457 /nfs/dbraw/zinc/51/84/57/974518457.db2.gz ACGDWFZLXUJEAE-UHFFFAOYSA-N 0 3 350.440 1.641 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nnnn2C)c1[O-] ZINC000848532398 976894021 /nfs/dbraw/zinc/89/40/21/976894021.db2.gz HCOOPDBSXCXEBD-MRVPVSSYSA-N 0 3 356.224 1.580 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848934758 977254494 /nfs/dbraw/zinc/25/44/94/977254494.db2.gz NBSSPKKBDDVOMA-RBUKOAKNSA-N 0 3 372.513 1.810 20 10 FDCDHN C[C@@H](NC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1O ZINC000868309918 977488477 /nfs/dbraw/zinc/48/84/77/977488477.db2.gz NGZHYOJWXLFGMR-FZKQIMNGSA-N 0 3 369.421 1.869 20 10 FDCDHN COc1cccc(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1O ZINC000849563235 977755306 /nfs/dbraw/zinc/75/53/06/977755306.db2.gz JEHYWNJIAPVJNB-HOTGVXAUSA-N 0 3 358.442 1.486 20 10 FDCDHN CN(C)c1ccc(CNC(=O)Cn2cc([C@@H](N)C3CCOCC3)nn2)cc1 ZINC000881094337 979656713 /nfs/dbraw/zinc/65/67/13/979656713.db2.gz IMAUGQVPNWHJDK-IBGZPJMESA-N 0 3 372.473 1.087 20 10 FDCDHN CN(C)S(=O)(=O)N1CC(NCc2cc(-c3ccccc3)ccc2O)C1 ZINC000858311734 981980668 /nfs/dbraw/zinc/98/06/68/981980668.db2.gz LPHQDOIIXSANHE-UHFFFAOYSA-N 0 3 361.467 1.639 20 10 FDCDHN COC(=O)CCNC(=O)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000862528384 984404922 /nfs/dbraw/zinc/40/49/22/984404922.db2.gz VQAOHOXIYMFAKM-UHFFFAOYSA-N 0 3 373.247 1.622 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](O)CC(C)(C)C1)cc2=O ZINC000296147344 988989922 /nfs/dbraw/zinc/98/99/22/988989922.db2.gz SDRZCNFOMCJHIH-CYBMUJFWSA-N 0 3 362.430 1.595 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CCCN(CC(C)(C)O)CC2)cc1F ZINC000368703712 989004046 /nfs/dbraw/zinc/00/40/46/989004046.db2.gz JXLWNLHVSNOOPW-UHFFFAOYSA-N 0 3 366.481 1.880 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369027593 989021028 /nfs/dbraw/zinc/02/10/28/989021028.db2.gz MYBOSTFIRQJYII-RTBURBONSA-N 0 3 358.486 1.949 20 10 FDCDHN C[C@@H](CNC(=O)NCc1ccc2c(c1)CCN2C)CN1CCN(C)CC1 ZINC000363790328 989441071 /nfs/dbraw/zinc/44/10/71/989441071.db2.gz RRZBRFXQUVCYQX-INIZCTEOSA-N 0 3 359.518 1.362 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000372029720 990900329 /nfs/dbraw/zinc/90/03/29/990900329.db2.gz FIZLDSLVLOCYIV-GFCCVEGCSA-N 0 3 360.370 1.336 20 10 FDCDHN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000373200894 992000353 /nfs/dbraw/zinc/00/03/53/992000353.db2.gz AOZPUHHFFIABMF-CABCVRRESA-N 0 3 365.430 1.730 20 10 FDCDHN COc1c([O-])c(C[N@H+]2CCC[C@@H]2CN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000373200894 992000362 /nfs/dbraw/zinc/00/03/62/992000362.db2.gz AOZPUHHFFIABMF-CABCVRRESA-N 0 3 365.430 1.730 20 10 FDCDHN O[C@@H]1CCC[C@H]1N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876687211 992795603 /nfs/dbraw/zinc/79/56/03/992795603.db2.gz GLNPYKYJBQVRSD-NHCUHLMSSA-N 0 3 359.514 1.679 20 10 FDCDHN COC[C@@]1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCCCN1 ZINC000876742144 992859370 /nfs/dbraw/zinc/85/93/70/992859370.db2.gz RFTZSBZDSZQFAX-OXJNMPFZSA-N 0 3 361.486 1.859 20 10 FDCDHN CS(=O)(=O)N1CCC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876974758 992992096 /nfs/dbraw/zinc/99/20/96/992992096.db2.gz RWCMBMUFCCLBBZ-INIZCTEOSA-N 0 3 367.515 1.161 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccc(C)cc2O)C1 ZINC000877474872 993297181 /nfs/dbraw/zinc/29/71/81/993297181.db2.gz IGZWYKKKNITBNA-INIZCTEOSA-N 0 3 356.488 1.573 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@H]3CCN(C)[C@@H]3C)CC2)c(OC)c1 ZINC000925342586 995514532 /nfs/dbraw/zinc/51/45/32/995514532.db2.gz BVPVTUDQJUWKIN-ZBFHGGJFSA-N 0 3 362.474 1.628 20 10 FDCDHN CC1(C)CC[N@H+](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000890075696 998805469 /nfs/dbraw/zinc/80/54/69/998805469.db2.gz KBVHPNBTYPEQKU-UHFFFAOYSA-N 0 3 355.460 1.225 20 10 FDCDHN CC1(C)CC[N@@H+](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000890075696 998805473 /nfs/dbraw/zinc/80/54/73/998805473.db2.gz KBVHPNBTYPEQKU-UHFFFAOYSA-N 0 3 355.460 1.225 20 10 FDCDHN CN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000076549252 1002520247 /nfs/dbraw/zinc/52/02/47/1002520247.db2.gz VZVQLPZCYQMYSS-UHFFFAOYSA-N 0 3 360.458 1.285 20 10 FDCDHN COCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929918386 1002595180 /nfs/dbraw/zinc/59/51/80/1002595180.db2.gz VKTVLFRMGLBNKW-YOEHRIQHSA-N 0 3 364.490 1.013 20 10 FDCDHN Cn1cc(C2=NC[C@@H](CN(Cc3ccccc3O)C[C@@H]3CCCO3)O2)cn1 ZINC000929972027 1002677409 /nfs/dbraw/zinc/67/74/09/1002677409.db2.gz REGKTLCVNSEZQI-ROUUACIJSA-N 0 3 370.453 1.952 20 10 FDCDHN Cn1cc(C2=NC[C@H](CN(Cc3ccccc3O)C[C@H]3CCCO3)O2)cn1 ZINC000929972025 1002678052 /nfs/dbraw/zinc/67/80/52/1002678052.db2.gz REGKTLCVNSEZQI-QZTJIDSGSA-N 0 3 370.453 1.952 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2nccn(C)c2=O)N(C)C)cc1 ZINC000930710222 1003420489 /nfs/dbraw/zinc/42/04/89/1003420489.db2.gz ZWHLYCRYERUROP-HNNXBMFYSA-N 0 3 358.446 1.271 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000778141856 1005227468 /nfs/dbraw/zinc/22/74/68/1005227468.db2.gz MRMKYWPONVTXOJ-YJBOKZPZSA-N 0 3 359.474 1.252 20 10 FDCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1[O-] ZINC000779019496 1007145601 /nfs/dbraw/zinc/14/56/01/1007145601.db2.gz XQUOTSAUDOSBKR-LBPRGKRZSA-N 0 3 370.291 1.888 20 10 FDCDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000271356664 674336402 /nfs/dbraw/zinc/33/64/02/674336402.db2.gz IFYHXBPMTMBBOX-SWLSCSKDSA-N 0 3 369.487 1.566 20 10 FDCDHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000271356664 674336403 /nfs/dbraw/zinc/33/64/03/674336403.db2.gz IFYHXBPMTMBBOX-SWLSCSKDSA-N 0 3 369.487 1.566 20 10 FDCDHN C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)CN1CCN(C)CC1 ZINC000074657134 522811285 /nfs/dbraw/zinc/81/12/85/522811285.db2.gz OLVDCMQLJQUQCK-MRXNPFEDSA-N 0 3 374.529 1.954 20 10 FDCDHN NC(=O)c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn1 ZINC000091675190 524760307 /nfs/dbraw/zinc/76/03/07/524760307.db2.gz RXEYXWAFFQXNOL-UHFFFAOYSA-N 0 3 366.469 1.720 20 10 FDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183779638 536047829 /nfs/dbraw/zinc/04/78/29/536047829.db2.gz ATESHCYLRVSXQO-IWHGQQBYSA-N 0 3 368.433 1.994 20 10 FDCDHN C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000186020374 536223632 /nfs/dbraw/zinc/22/36/32/536223632.db2.gz VBGSTNICBMDWIK-TZMCWYRMSA-N 0 3 360.451 1.670 20 10 FDCDHN C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)CN1CCN(C)CC1 ZINC000266659781 536913751 /nfs/dbraw/zinc/91/37/51/536913751.db2.gz JLOVEOXXGHUZJE-GOSISDBHSA-N 0 3 373.545 1.970 20 10 FDCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC000283336181 537371872 /nfs/dbraw/zinc/37/18/72/537371872.db2.gz CWNXGXXZDCHUPY-INIZCTEOSA-N 0 3 360.502 1.605 20 10 FDCDHN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291550618 537627879 /nfs/dbraw/zinc/62/78/79/537627879.db2.gz MTZAGDIQBGGPAM-GFCCVEGCSA-N 0 3 357.476 1.614 20 10 FDCDHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291550618 537627881 /nfs/dbraw/zinc/62/78/81/537627881.db2.gz MTZAGDIQBGGPAM-GFCCVEGCSA-N 0 3 357.476 1.614 20 10 FDCDHN CCC[C@]1(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOC1 ZINC000285681919 537745854 /nfs/dbraw/zinc/74/58/54/537745854.db2.gz UWKZMXUYVHCUHR-FQEVSTJZSA-N 0 3 361.486 1.893 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000569843061 549068685 /nfs/dbraw/zinc/06/86/85/549068685.db2.gz TZIDBDFPSYTYDF-UHFFFAOYSA-N 0 3 370.497 1.903 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000572793886 549996127 /nfs/dbraw/zinc/99/61/27/549996127.db2.gz XKDCMIMFXJDIQD-RHSMWYFYSA-N 0 3 370.497 1.948 20 10 FDCDHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000272747916 674471750 /nfs/dbraw/zinc/47/17/50/674471750.db2.gz JKGPIJREESUZRQ-UHFFFAOYSA-N 0 3 350.415 1.411 20 10 FDCDHN CCOCc1cc(CNCCNS(=O)(=O)NC(C)C)ccc1OC ZINC000277010766 674832405 /nfs/dbraw/zinc/83/24/05/674832405.db2.gz LJKKDMBYGSLAMP-UHFFFAOYSA-N 0 3 359.492 1.154 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@@]2(C)CCC(=O)N2)N(C)C)cc1 ZINC000891249402 774107531 /nfs/dbraw/zinc/10/75/31/774107531.db2.gz SNVOBGXMXSURSZ-XLIONFOSSA-N 0 3 360.502 1.920 20 10 FDCDHN COC(=O)N[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891251542 774133866 /nfs/dbraw/zinc/13/38/66/774133866.db2.gz GFJXKQDQTKICOE-SJORKVTESA-N 0 3 364.490 1.852 20 10 FDCDHN CC[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)N1CCCC1=O ZINC000891254180 774150409 /nfs/dbraw/zinc/15/04/09/774150409.db2.gz XBHGEHQXGNCUPB-QZTJIDSGSA-N 0 3 360.502 1.873 20 10 FDCDHN Cc1nn(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000891255228 774158630 /nfs/dbraw/zinc/15/86/30/774158630.db2.gz NVKCEKKWJOAEOU-OAHLLOKOSA-N 0 3 374.445 1.735 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CSc2cccc[n+]2[O-])N(C)C)cc1 ZINC000891255985 774160703 /nfs/dbraw/zinc/16/07/03/774160703.db2.gz UPIVYYCTIQRVKR-QGZVFWFLSA-N 0 3 374.510 1.897 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(N)=O)cn2)N(C)C)cc1 ZINC000891255942 774160790 /nfs/dbraw/zinc/16/07/90/774160790.db2.gz SYWQQSJVMSASQP-KRWDZBQOSA-N 0 3 355.442 1.279 20 10 FDCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)N1C(=O)CCC1=O ZINC000891256216 774162489 /nfs/dbraw/zinc/16/24/89/774162489.db2.gz VVLFBLBLFBOARW-BBRMVZONSA-N 0 3 360.458 1.009 20 10 FDCDHN COc1ccc(CN[C@H]2CCN(c3cc(C)nn3C)C2=O)c(O)c1OC ZINC000893091681 792868810 /nfs/dbraw/zinc/86/88/10/792868810.db2.gz DSSPZCBDLGZKAU-ZDUSSCGKSA-N 0 3 360.414 1.346 20 10 FDCDHN CNS(=O)(=O)c1cccc(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894199308 810877728 /nfs/dbraw/zinc/87/77/28/810877728.db2.gz MXQMIFQTCCBISA-UHFFFAOYSA-N 0 3 350.440 1.907 20 10 FDCDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc(N3CCC(O)CC3)c(F)c2)C1(F)F ZINC000894201990 810887786 /nfs/dbraw/zinc/88/77/86/810887786.db2.gz AMIKCYHBQIOYCT-CJNGLKHVSA-N 0 3 372.387 1.931 20 10 FDCDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000729328641 811147242 /nfs/dbraw/zinc/14/72/42/811147242.db2.gz UTLLCCYSWSXYFJ-MJGOQNOKSA-N 0 3 372.513 1.879 20 10 FDCDHN COC(=O)c1c(CNC[C@@]2(O)CCO[C@@H]2C)c2cc(F)ccc2n1C ZINC000894595813 818236711 /nfs/dbraw/zinc/23/67/11/818236711.db2.gz RFSPRIOHXSCTSU-ZMZPIMSZSA-N 0 3 350.390 1.734 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(=O)[nH]n2)N(C)C)cc1 ZINC000895079889 820050583 /nfs/dbraw/zinc/05/05/83/820050583.db2.gz CWMDTIUFJRNEMF-MRXNPFEDSA-N 0 3 358.446 1.350 20 10 FDCDHN CCN(OC)C(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895514354 822635088 /nfs/dbraw/zinc/63/50/88/822635088.db2.gz NGAATLHRQYXVIL-INIZCTEOSA-N 0 3 365.478 1.064 20 10 FDCDHN Cc1cc(Br)cc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000897618193 840021388 /nfs/dbraw/zinc/02/13/88/840021388.db2.gz AKRQZIARFCGAIO-TXEJJXNPSA-N 0 3 360.273 1.940 20 10 FDCDHN CC(C)N(C[C@@H](O)CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098657 845792815 /nfs/dbraw/zinc/79/28/15/845792815.db2.gz QRPRTHCLFOGICG-QZTJIDSGSA-N 0 3 366.506 1.129 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@](F)(CO)C2)N(C)C)cc1 ZINC000899100566 845797521 /nfs/dbraw/zinc/79/75/21/845797521.db2.gz ANWNAHQIIIPBNQ-AEFFLSMTSA-N 0 3 352.454 1.471 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cnn(C)c2)N(C)C)cc1 ZINC000899101051 845798448 /nfs/dbraw/zinc/79/84/48/845798448.db2.gz HLQKQBDXGVIYKG-SFHVURJKSA-N 0 3 358.490 1.930 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cnn(C)c2)N(C)C)cc1 ZINC000899101050 845798782 /nfs/dbraw/zinc/79/87/82/845798782.db2.gz HLQKQBDXGVIYKG-GOSISDBHSA-N 0 3 358.490 1.930 20 10 FDCDHN COC(=O)CCCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724196 846625746 /nfs/dbraw/zinc/62/57/46/846625746.db2.gz KUBKKUIAFFZOIU-MRXNPFEDSA-N 0 3 366.531 1.773 20 10 FDCDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccnn1CCN(C)C ZINC000911302992 858439397 /nfs/dbraw/zinc/43/93/97/858439397.db2.gz CCGKNCUTHZFVSN-UHFFFAOYSA-N 0 3 374.441 1.356 20 10 FDCDHN C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)CN1CCN(C)CC1 ZINC000073915484 881356221 /nfs/dbraw/zinc/35/62/21/881356221.db2.gz GYTPFYLRHXFZOV-HNNXBMFYSA-N 0 3 365.497 1.574 20 10 FDCDHN COc1cc([O-])c(CN2CCC[C@@H]2C[NH3+])cc1I ZINC001236252452 886338851 /nfs/dbraw/zinc/33/88/51/886338851.db2.gz LWXWZKYKYUSQDO-SNVBAGLBSA-N 0 3 362.211 1.929 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@@H+]1CCCC[C@H]1C ZINC000920448952 886941182 /nfs/dbraw/zinc/94/11/82/886941182.db2.gz TUUQMJWOHBLBJM-CHWSQXEVSA-N 0 3 369.487 1.756 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@H+]1CCCC[C@H]1C ZINC000920448952 886941190 /nfs/dbraw/zinc/94/11/90/886941190.db2.gz TUUQMJWOHBLBJM-CHWSQXEVSA-N 0 3 369.487 1.756 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@@H+]1CCCC[C@@H]1C ZINC000920448955 886941236 /nfs/dbraw/zinc/94/12/36/886941236.db2.gz TUUQMJWOHBLBJM-STQMWFEESA-N 0 3 369.487 1.756 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@H+]1CCCC[C@@H]1C ZINC000920448955 886941250 /nfs/dbraw/zinc/94/12/50/886941250.db2.gz TUUQMJWOHBLBJM-STQMWFEESA-N 0 3 369.487 1.756 20 10 FDCDHN COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1ccccc1[O-] ZINC000731843706 918669439 /nfs/dbraw/zinc/66/94/39/918669439.db2.gz SBIUWCAQANUHBK-MHWRWJLKSA-N 0 3 350.440 1.804 20 10 FDCDHN COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000731843706 918669447 /nfs/dbraw/zinc/66/94/47/918669447.db2.gz SBIUWCAQANUHBK-MHWRWJLKSA-N 0 3 350.440 1.804 20 10 FDCDHN N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746316941 927820673 /nfs/dbraw/zinc/82/06/73/927820673.db2.gz GCAAMFCGFSIOQO-IBGZPJMESA-N 0 3 371.456 1.973 20 10 FDCDHN CCN(CC)c1ccc(CN(C)CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000767359572 929242861 /nfs/dbraw/zinc/24/28/61/929242861.db2.gz IPBPNACOWUSHFD-UHFFFAOYSA-N 0 3 354.516 1.904 20 10 FDCDHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C ZINC000769910423 929732177 /nfs/dbraw/zinc/73/21/77/929732177.db2.gz KUTVBORZYOIARP-OCCSQVGLSA-N 0 3 369.487 1.709 20 10 FDCDHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C ZINC000769910423 929732180 /nfs/dbraw/zinc/73/21/80/929732180.db2.gz KUTVBORZYOIARP-OCCSQVGLSA-N 0 3 369.487 1.709 20 10 FDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cc2)C1 ZINC000787110332 932165861 /nfs/dbraw/zinc/16/58/61/932165861.db2.gz GZMMALKWANLEHA-LPHOPBHVSA-N 0 3 370.497 1.631 20 10 FDCDHN COc1cc(C)cc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1O ZINC000788385802 932688937 /nfs/dbraw/zinc/68/89/37/932688937.db2.gz GKOLCQGWMSWLQC-HNNXBMFYSA-N 0 3 354.472 1.709 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000788929624 932864356 /nfs/dbraw/zinc/86/43/56/932864356.db2.gz WZWJVFYREOOUNF-LJQANCHMSA-N 0 3 372.513 1.846 20 10 FDCDHN C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000791060346 933853063 /nfs/dbraw/zinc/85/30/63/933853063.db2.gz LEGVGRIQZKDDQS-HNNXBMFYSA-N 0 3 369.487 1.614 20 10 FDCDHN C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000791060346 933853072 /nfs/dbraw/zinc/85/30/72/933853072.db2.gz LEGVGRIQZKDDQS-HNNXBMFYSA-N 0 3 369.487 1.614 20 10 FDCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000793939471 938347860 /nfs/dbraw/zinc/34/78/60/938347860.db2.gz WCCSATFYOTXWPE-UHFFFAOYSA-N 0 3 360.502 1.702 20 10 FDCDHN COc1ccc(O)c(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809784502 940902283 /nfs/dbraw/zinc/90/22/83/940902283.db2.gz KZDUNMXHIYFRED-CYBMUJFWSA-N 0 3 354.472 1.695 20 10 FDCDHN CN1CCN(c2ccc(CN3CCC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000816619295 942279316 /nfs/dbraw/zinc/27/93/16/942279316.db2.gz ABUHLHMFTRANQD-SFHVURJKSA-N 0 3 365.543 1.695 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCNC[C@H]2c2nccn2C)cc1 ZINC000844224988 947857924 /nfs/dbraw/zinc/85/79/24/947857924.db2.gz XHHRAAKOZOSPLI-SFHVURJKSA-N 0 3 370.501 1.091 20 10 FDCDHN COc1cc(N2CCN(CC[C@H]3CCNC3=O)CC2)cc(OC)c1OC ZINC000846855783 951652998 /nfs/dbraw/zinc/65/29/98/951652998.db2.gz LASJPOLLDACZJW-CQSZACIVSA-N 0 3 363.458 1.361 20 10 FDCDHN CCN1CC[C@@H](N2CCN(c3ccc(OCCOC)cc3)CC2)CC1=O ZINC001172048398 961455572 /nfs/dbraw/zinc/45/55/72/961455572.db2.gz OVMYZKDEEVBWRD-GOSISDBHSA-N 0 3 361.486 1.845 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccnc2OCCO)N(C)C)cc1 ZINC001180180414 965128052 /nfs/dbraw/zinc/12/80/52/965128052.db2.gz ZZIIZXZQLIHANW-SFHVURJKSA-N 0 3 372.469 1.551 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1[C@H](C)CO)cc2=O ZINC000852427102 967292177 /nfs/dbraw/zinc/29/21/77/967292177.db2.gz ZUZIBKIIZDTTFR-IUODEOHRSA-N 0 3 362.430 1.595 20 10 FDCDHN N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868477 967674810 /nfs/dbraw/zinc/67/48/10/967674810.db2.gz GOUITUVNSFGLIF-FQEVSTJZSA-N 0 3 353.466 1.834 20 10 FDCDHN COc1cc(Br)cc(CNC2CN(c3ccncn3)C2)c1O ZINC000865749652 974460428 /nfs/dbraw/zinc/46/04/28/974460428.db2.gz VGBYQZCPLXWKSG-UHFFFAOYSA-N 0 3 365.231 1.932 20 10 FDCDHN COc1ccc(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)c(O)c1 ZINC000849584077 977788141 /nfs/dbraw/zinc/78/81/41/977788141.db2.gz CFZGBYUZJCTISB-SJORKVTESA-N 0 3 358.442 1.486 20 10 FDCDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000850586463 978448002 /nfs/dbraw/zinc/44/80/02/978448002.db2.gz UWOUVLJUIQACEV-CQSZACIVSA-N 0 3 365.415 1.034 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000858548475 982108876 /nfs/dbraw/zinc/10/88/76/982108876.db2.gz MIGSAQHLNPWIER-CMPLNLGQSA-N 0 3 359.264 1.881 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H]4CCC[C@]4(CO)C3)CC2)cc1 ZINC000859918142 983087395 /nfs/dbraw/zinc/08/73/95/983087395.db2.gz ADUFKMOUZFGHKI-LAUBAEHRSA-N 0 3 373.497 1.438 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](CO)CN(C)C)cc1 ZINC000861718844 983869726 /nfs/dbraw/zinc/86/97/26/983869726.db2.gz QYPNECKGAQMNAT-SFHVURJKSA-N 0 3 357.454 1.488 20 10 FDCDHN CN(C)S(=O)(=O)C1(CNCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000886319657 986062565 /nfs/dbraw/zinc/06/25/65/986062565.db2.gz KXFAQQZNPOUDNZ-UHFFFAOYSA-N 0 3 367.515 1.161 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](O)CC(C)(C)C1)cc2=O ZINC000296147347 988989830 /nfs/dbraw/zinc/98/98/30/988989830.db2.gz SDRZCNFOMCJHIH-ZDUSSCGKSA-N 0 3 362.430 1.595 20 10 FDCDHN COc1c([O-])c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000364760364 989775269 /nfs/dbraw/zinc/77/52/69/989775269.db2.gz PTVXLBMAGCMAAX-OFQRWUPVSA-N 0 3 365.430 1.993 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)c([O-])c1 ZINC000371332728 990364040 /nfs/dbraw/zinc/36/40/40/990364040.db2.gz RBBVYUSQPUWUSD-AUUYWEPGSA-N 0 3 361.442 1.991 20 10 FDCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)c([O-])c1 ZINC000371332728 990364048 /nfs/dbraw/zinc/36/40/48/990364048.db2.gz RBBVYUSQPUWUSD-AUUYWEPGSA-N 0 3 361.442 1.991 20 10 FDCDHN CN1CCN(C(=O)C(=O)NCCCSc2nccs2)CCC1(C)C ZINC000875217592 991103368 /nfs/dbraw/zinc/10/33/68/991103368.db2.gz IYSJIOKXHKVMBV-UHFFFAOYSA-N 0 3 370.544 1.684 20 10 FDCDHN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000373200898 991999947 /nfs/dbraw/zinc/99/99/47/991999947.db2.gz AOZPUHHFFIABMF-HUUCEWRRSA-N 0 3 365.430 1.730 20 10 FDCDHN COc1c([O-])c(C[N@H+]2CCC[C@@H]2CN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000373200898 991999954 /nfs/dbraw/zinc/99/99/54/991999954.db2.gz AOZPUHHFFIABMF-HUUCEWRRSA-N 0 3 365.430 1.730 20 10 FDCDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000876998741 993000587 /nfs/dbraw/zinc/00/05/87/993000587.db2.gz QKPMHBXWXSTHNA-UHFFFAOYSA-N 0 3 355.442 1.319 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)c(OC)c1 ZINC000877227465 993118021 /nfs/dbraw/zinc/11/80/21/993118021.db2.gz JPJTXLYQYBSRFH-MRXNPFEDSA-N 0 3 363.458 1.121 20 10 FDCDHN O=C1N[C@H](CN2CCCCC2)C(=O)N1Cc1ccc(N2CCOCC2)cc1 ZINC000924483603 994731647 /nfs/dbraw/zinc/73/16/47/994731647.db2.gz YFXJHWLGKGMIRP-GOSISDBHSA-N 0 3 372.469 1.430 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3CSC[C@H]3C1)cc2=O ZINC000879562896 995011184 /nfs/dbraw/zinc/01/11/84/995011184.db2.gz NSSCZZIZXHZDAT-NWDGAFQWSA-N 0 3 362.455 1.797 20 10 FDCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000879651405 995137518 /nfs/dbraw/zinc/13/75/18/995137518.db2.gz UJJDKZUJGFPTJH-GJZGRUSLSA-N 0 3 355.442 1.570 20 10 FDCDHN CN1CCN(CCN2C(=O)CN(Cc3ccccc3O)C2=O)CC1(C)C ZINC000925305452 995473778 /nfs/dbraw/zinc/47/37/78/995473778.db2.gz BWNGWGORXCSHHE-UHFFFAOYSA-N 0 3 360.458 1.182 20 10 FDCDHN COc1cc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1OC ZINC000826677139 998813996 /nfs/dbraw/zinc/81/39/96/998813996.db2.gz IYTGTMXRDWFFCA-NSHDSACASA-N 0 3 352.391 1.168 20 10 FDCDHN O=C(C[C@@H]1CNCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269278022 999466611 /nfs/dbraw/zinc/46/66/11/999466611.db2.gz YQERDGZCTKIGLY-XJKSGUPXSA-N 0 3 369.412 1.752 20 10 FDCDHN COCC[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929918385 1002595441 /nfs/dbraw/zinc/59/54/41/1002595441.db2.gz VKTVLFRMGLBNKW-WMLDXEAASA-N 0 3 364.490 1.013 20 10 FDCDHN CC[C@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000931002108 1003758411 /nfs/dbraw/zinc/75/84/11/1003758411.db2.gz VYRTXUGALMGONE-ZWKOTPCHSA-N 0 3 360.502 1.776 20 10 FDCDHN CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c([O-])c1 ZINC000796501384 1016927938 /nfs/dbraw/zinc/92/79/38/1016927938.db2.gz CZVVRWYFGAAHOR-ALOPSCKCSA-N 0 3 361.486 1.964 20 10 FDCDHN CC(C)[C@@H](C)N(C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000934314847 1005731497 /nfs/dbraw/zinc/73/14/97/1005731497.db2.gz YDJWPQZIUYTMPB-CRAIPNDOSA-N 0 3 362.518 1.974 20 10 FDCDHN COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779144100 1007437039 /nfs/dbraw/zinc/43/70/39/1007437039.db2.gz MJAJZJJYSXTGKS-MOPGFXCFSA-N 0 3 361.486 1.591 20 10 FDCDHN C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC000188318344 1007834604 /nfs/dbraw/zinc/83/46/04/1007834604.db2.gz DEGGANBOTNXKEF-UHFFFAOYSA-N 0 3 357.366 1.820 20 10 FDCDHN CC(C)[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000069536625 521910285 /nfs/dbraw/zinc/91/02/85/521910285.db2.gz ZATIIRZVNNCMCV-UHFFFAOYSA-N 0 3 355.460 1.320 20 10 FDCDHN CC(C)[N@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000069536625 521910294 /nfs/dbraw/zinc/91/02/94/521910294.db2.gz ZATIIRZVNNCMCV-UHFFFAOYSA-N 0 3 355.460 1.320 20 10 FDCDHN C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000089596171 524513818 /nfs/dbraw/zinc/51/38/18/524513818.db2.gz BELCTWLUTZFHEX-QAPCUYQASA-N 0 3 369.531 1.892 20 10 FDCDHN Cc1ccc(O)c(CNCc2ccccc2S(=O)(=O)N(C)CCO)c1 ZINC000113361363 524672222 /nfs/dbraw/zinc/67/22/22/524672222.db2.gz QZOVSASNZCYOQD-UHFFFAOYSA-N 0 3 364.467 1.603 20 10 FDCDHN c1cc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn2nnnc12 ZINC000091676284 524758372 /nfs/dbraw/zinc/75/83/72/524758372.db2.gz PWZXSIYYBWLEPW-UHFFFAOYSA-N 0 3 364.457 1.663 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000152062057 524769179 /nfs/dbraw/zinc/76/91/79/524769179.db2.gz PRMBWQPYPVGFTR-SFHVURJKSA-N 0 3 373.501 1.201 20 10 FDCDHN COCCNS(=O)(=O)c1cccc(CNCc2cc(C)ccc2O)c1 ZINC000117951060 525414766 /nfs/dbraw/zinc/41/47/66/525414766.db2.gz BHVQZUVJUBGPHN-UHFFFAOYSA-N 0 3 364.467 1.915 20 10 FDCDHN CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c1 ZINC000110311259 526234787 /nfs/dbraw/zinc/23/47/87/526234787.db2.gz CZXSKZOPJANBOR-BLGFXRMMSA-N 0 3 364.449 1.974 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc2)CC1 ZINC000276151470 537303039 /nfs/dbraw/zinc/30/30/39/537303039.db2.gz GJWREJTUVZGLRE-LJQANCHMSA-N 0 3 360.502 1.558 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000283296334 537366431 /nfs/dbraw/zinc/36/64/31/537366431.db2.gz AOPJCZXUMIOBSK-SFHVURJKSA-N 0 3 358.486 1.456 20 10 FDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000285608367 537736393 /nfs/dbraw/zinc/73/63/93/537736393.db2.gz VPNYWYNRWQTDGE-BBRMVZONSA-N 0 3 356.488 1.989 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C2(S(C)(=O)=O)CCNCC2)cc1 ZINC000285750010 537755205 /nfs/dbraw/zinc/75/52/05/537755205.db2.gz IZMOZVLEGUJVJJ-UHFFFAOYSA-N 0 3 367.515 1.316 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C3CCOCC3)C1)cc2=O ZINC000376203403 537845190 /nfs/dbraw/zinc/84/51/90/537845190.db2.gz NKHLHXVHPOFYAK-AWEZNQCLSA-N 0 3 374.441 1.860 20 10 FDCDHN CN1C(=O)NC2(CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1=O ZINC000377689439 537998415 /nfs/dbraw/zinc/99/84/15/537998415.db2.gz BPHAYXPYFUEDKG-UHFFFAOYSA-N 0 3 358.442 1.039 20 10 FDCDHN CN(C)C[C@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc2O1 ZINC000612399890 554771549 /nfs/dbraw/zinc/77/15/49/554771549.db2.gz HIHCGRZBEPWAGR-LBPRGKRZSA-N 0 3 352.394 1.546 20 10 FDCDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180726993 672183229 /nfs/dbraw/zinc/18/32/29/672183229.db2.gz PBEBGFGIQXLARV-UHFFFAOYSA-N 0 3 369.374 1.508 20 10 FDCDHN O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000297150373 676424453 /nfs/dbraw/zinc/42/44/53/676424453.db2.gz ZYLZMYGLIKFBKQ-STQMWFEESA-N 0 3 353.465 1.865 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000299106298 676517513 /nfs/dbraw/zinc/51/75/13/676517513.db2.gz VOMDRTPZRQOCJP-UHFFFAOYSA-N 0 3 355.460 1.370 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(c3nnnn3C)CC2)c1[O-] ZINC000360341395 676865783 /nfs/dbraw/zinc/86/57/83/676865783.db2.gz FAHIIXSDDXTDKO-UHFFFAOYSA-N 0 3 352.826 1.336 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000373433287 678062132 /nfs/dbraw/zinc/06/21/32/678062132.db2.gz AFGFFCMLHYDOHU-UHFFFAOYSA-N 0 3 367.471 1.370 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000175773989 771287444 /nfs/dbraw/zinc/28/74/44/771287444.db2.gz HCBNMLXHUTVESR-LSDHHAIUSA-N 0 3 364.490 1.645 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)N(C)C)cc1 ZINC000891247508 774094147 /nfs/dbraw/zinc/09/41/47/774094147.db2.gz HVTVKGFRTGPPNT-VQIMIIECSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)N(C)C)cc1 ZINC000891248188 774101740 /nfs/dbraw/zinc/10/17/40/774101740.db2.gz WTJJFJMTPZVQNQ-MRXNPFEDSA-N 0 3 373.505 1.456 20 10 FDCDHN CCOc1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891249088 774113396 /nfs/dbraw/zinc/11/33/96/774113396.db2.gz PMAFXXJSTYHBQG-QGZVFWFLSA-N 0 3 357.458 1.974 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CN2CSCC2=O)N(C)C)cc1 ZINC000891254784 774159123 /nfs/dbraw/zinc/15/91/23/774159123.db2.gz JLMQLDYFAKRQMT-HNNXBMFYSA-N 0 3 350.488 1.004 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000891256012 774160715 /nfs/dbraw/zinc/16/07/15/774160715.db2.gz VLZOMIRWKHKOOX-QAPCUYQASA-N 0 3 358.486 1.482 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)OC(C)(C)C)N(C)C)cc1 ZINC000891255487 774169430 /nfs/dbraw/zinc/16/94/30/774169430.db2.gz QIFBPWAWCUWRRD-MRXNPFEDSA-N 0 3 364.490 1.996 20 10 FDCDHN C[C@H](Cn1cncn1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892567185 787345484 /nfs/dbraw/zinc/34/54/84/787345484.db2.gz CAFQHXQLBLNDQU-RHSMWYFYSA-N 0 3 359.478 1.335 20 10 FDCDHN CS[C@H](CO)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893118768 793075976 /nfs/dbraw/zinc/07/59/76/793075976.db2.gz KEGTZXBTPIRQDY-XOKHGSTOSA-N 0 3 368.547 1.767 20 10 FDCDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000729328639 811147381 /nfs/dbraw/zinc/14/73/81/811147381.db2.gz UTLLCCYSWSXYFJ-HKUYNNGSSA-N 0 3 372.513 1.879 20 10 FDCDHN CCN1CCCC[C@H]1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000729346721 811168363 /nfs/dbraw/zinc/16/83/63/811168363.db2.gz CIEUNYZGBXTKRK-FQEVSTJZSA-N 0 3 374.529 1.808 20 10 FDCDHN CO[C@@]1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000894226948 811500212 /nfs/dbraw/zinc/50/02/12/811500212.db2.gz OYBDEAPERHHXGG-PKOBYXMFSA-N 0 3 364.490 1.460 20 10 FDCDHN COc1cc(C)cc(CNC[C@@H](O)CS(=O)(=O)c2cccs2)c1O ZINC000894354779 817564867 /nfs/dbraw/zinc/56/48/67/817564867.db2.gz OBVXCGXQUNXNQN-CYBMUJFWSA-N 0 3 371.480 1.695 20 10 FDCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ncnn1C ZINC000894381995 817961946 /nfs/dbraw/zinc/96/19/46/817961946.db2.gz XBEYRUSYKLLQJU-CJNGLKHVSA-N 0 3 359.478 1.544 20 10 FDCDHN COC(=O)c1c(CNC[C@]2(OC)CCOC2)c2cc(F)ccc2n1C ZINC000894472046 818103017 /nfs/dbraw/zinc/10/30/17/818103017.db2.gz VWLFBTYOKQGCON-GOSISDBHSA-N 0 3 350.390 1.999 20 10 FDCDHN CCOC(=O)[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CC12COC2 ZINC000894659232 818297438 /nfs/dbraw/zinc/29/74/38/818297438.db2.gz UXFPPJLJLKYKKU-CYBMUJFWSA-N 0 3 351.399 1.421 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H]4OCC[C@H]4C3)CC2)cc1 ZINC000366746943 818677818 /nfs/dbraw/zinc/67/78/18/818677818.db2.gz SQVUIHRNMNFXNA-QFBILLFUSA-N 0 3 359.470 1.455 20 10 FDCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894844275 818794862 /nfs/dbraw/zinc/79/48/62/818794862.db2.gz YLGOMQQSPPJVJT-JSGCOSHPSA-N 0 3 374.453 1.714 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCCNC2=O)N(C)C)cc1 ZINC000895329010 822488690 /nfs/dbraw/zinc/48/86/90/822488690.db2.gz OTQRGSGKOOEBJZ-NVXWUHKLSA-N 0 3 361.490 1.181 20 10 FDCDHN O=C1N[C@@H](C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)CO1 ZINC000897026329 826789741 /nfs/dbraw/zinc/78/97/41/826789741.db2.gz JYICSTSTTNLMPP-QGZVFWFLSA-N 0 3 363.433 1.983 20 10 FDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@H](C)CN1 ZINC000841722362 835229420 /nfs/dbraw/zinc/22/94/20/835229420.db2.gz MXHWMGBVIZGFRO-BFYDXBDKSA-N 0 3 373.501 1.280 20 10 FDCDHN CCOCc1cc(CN[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)ccc1OC ZINC000898359311 840965753 /nfs/dbraw/zinc/96/57/53/840965753.db2.gz OYALETGDPLKGCB-IAGOWNOFSA-N 0 3 366.458 1.771 20 10 FDCDHN COCCCCN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000842173783 845303659 /nfs/dbraw/zinc/30/36/59/845303659.db2.gz TZRMJIVMWXCNST-UHFFFAOYSA-N 0 3 367.465 1.637 20 10 FDCDHN C[C@H](O)CN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](C)CO ZINC000899102027 845774626 /nfs/dbraw/zinc/77/46/26/845774626.db2.gz JTWBOORXCVHNEE-MPGHIAIKSA-N 0 3 366.506 1.129 20 10 FDCDHN CNC(=O)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099364 845794738 /nfs/dbraw/zinc/79/47/38/845794738.db2.gz ZRIFPNDEZVDXBP-NVXWUHKLSA-N 0 3 361.490 1.133 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](CC(N)=O)C2)N(C)C)cc1 ZINC000899101265 845798929 /nfs/dbraw/zinc/79/89/29/845798929.db2.gz GVGIPQIYLFVZSP-RHSMWYFYSA-N 0 3 361.490 1.262 20 10 FDCDHN CN(CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)CC(C)(C)C ZINC000899473173 846276494 /nfs/dbraw/zinc/27/64/94/846276494.db2.gz OQWUKYXCGUCKQP-UHFFFAOYSA-N 0 3 374.529 1.982 20 10 FDCDHN CN1CCC[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000919654480 885983007 /nfs/dbraw/zinc/98/30/07/885983007.db2.gz LWVJYNUPARXFBG-IAGOWNOFSA-N 0 3 373.501 1.282 20 10 FDCDHN Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452250 888016196 /nfs/dbraw/zinc/01/61/96/888016196.db2.gz IYEUZGCTWFFHOC-UHFFFAOYSA-N 0 3 370.450 1.385 20 10 FDCDHN COCCN1CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000730817775 917350178 /nfs/dbraw/zinc/35/01/78/917350178.db2.gz VDUKNJKIAQKFSE-ZDUSSCGKSA-N 0 3 359.264 1.974 20 10 FDCDHN CCOc1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c([O-])c1 ZINC000732233196 919285546 /nfs/dbraw/zinc/28/55/46/919285546.db2.gz XMNMUFCSSPKISD-INIZCTEOSA-N 0 3 372.487 1.369 20 10 FDCDHN C[C@H](NCCc1nnnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000772468183 931301333 /nfs/dbraw/zinc/30/13/33/931301333.db2.gz RQFDRYIWIZKOQW-LBPRGKRZSA-N 0 3 350.854 1.593 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)C3(N(C)C)CCC3)cc2)CC1 ZINC000787323332 932262967 /nfs/dbraw/zinc/26/29/67/932262967.db2.gz WWBPVIGWJNEKRC-UHFFFAOYSA-N 0 3 358.486 1.456 20 10 FDCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000787674468 932350051 /nfs/dbraw/zinc/35/00/51/932350051.db2.gz GPPITFJPQOYNBN-MRXNPFEDSA-N 0 3 372.513 1.533 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000788910370 932875565 /nfs/dbraw/zinc/87/55/65/932875565.db2.gz KDTDZKVUYABNJJ-IBGZPJMESA-N 0 3 370.497 1.600 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000788951753 932886778 /nfs/dbraw/zinc/88/67/78/932886778.db2.gz RTNBYCPAVWLXDW-SFHVURJKSA-N 0 3 372.513 1.750 20 10 FDCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)N1CCCCC1 ZINC000788939628 932899500 /nfs/dbraw/zinc/89/95/00/932899500.db2.gz VHBHWOKZGVALED-KRWDZBQOSA-N 0 3 372.513 1.894 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804731254 938556415 /nfs/dbraw/zinc/55/64/15/938556415.db2.gz KWPZGXQWBJGRSW-QGZVFWFLSA-N 0 3 358.486 1.278 20 10 FDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000747581472 940926296 /nfs/dbraw/zinc/92/62/96/940926296.db2.gz PJIFWPKXBUQGFL-MRXNPFEDSA-N 0 3 361.490 1.091 20 10 FDCDHN CNc1nc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001134882043 941789014 /nfs/dbraw/zinc/78/90/14/941789014.db2.gz KQFHCTVEIQKSRT-KRWDZBQOSA-N 0 3 356.474 1.925 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](CCO)CC1)cc2=O ZINC000817296240 942681375 /nfs/dbraw/zinc/68/13/75/942681375.db2.gz GTNDMVCYPXDDHG-ZDUSSCGKSA-N 0 3 362.430 1.596 20 10 FDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817894582 943068272 /nfs/dbraw/zinc/06/82/72/943068272.db2.gz NCGUQJQDOHKWGN-RTBURBONSA-N 0 3 361.486 1.279 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cc(C)ccn3)CC2)cc1 ZINC000819333060 943530312 /nfs/dbraw/zinc/53/03/12/943530312.db2.gz FTUGFTZMZVDOBM-HXUWFJFHSA-N 0 3 370.497 1.671 20 10 FDCDHN COC[C@H](C)OC[C@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358688 943541049 /nfs/dbraw/zinc/54/10/49/943541049.db2.gz NZQBZFQSXAPJCH-DZGCQCFKSA-N 0 3 374.428 1.303 20 10 FDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000822545942 945055176 /nfs/dbraw/zinc/05/51/76/945055176.db2.gz RSFIZVLPBGMBOG-DOTOQJQBSA-N 0 3 359.470 1.683 20 10 FDCDHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775700495 971551154 /nfs/dbraw/zinc/55/11/54/971551154.db2.gz PFZXGIIPOJOHPM-CVEARBPZSA-N 0 3 353.532 1.692 20 10 FDCDHN CC(C)C[N@H+](C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846290775 950864997 /nfs/dbraw/zinc/86/49/97/950864997.db2.gz FHASUZPSGZPTAP-UHFFFAOYSA-N 0 3 357.476 1.471 20 10 FDCDHN CC(C)C[N@@H+](C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846290775 950865012 /nfs/dbraw/zinc/86/50/12/950865012.db2.gz FHASUZPSGZPTAP-UHFFFAOYSA-N 0 3 357.476 1.471 20 10 FDCDHN COc1cccc([O-])c1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000773426982 962980243 /nfs/dbraw/zinc/98/02/43/962980243.db2.gz PLLDKWVRDKWXPU-UHFFFAOYSA-N 0 3 366.439 1.941 20 10 FDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775062508 964883731 /nfs/dbraw/zinc/88/37/31/964883731.db2.gz AMQBVCMTWSMTNE-LBPRGKRZSA-N 0 3 350.375 1.345 20 10 FDCDHN COc1c([O-])c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775062508 964883736 /nfs/dbraw/zinc/88/37/36/964883736.db2.gz AMQBVCMTWSMTNE-LBPRGKRZSA-N 0 3 350.375 1.345 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1[C@@H](C)CO)cc2=O ZINC000852427106 967292094 /nfs/dbraw/zinc/29/20/94/967292094.db2.gz ZUZIBKIIZDTTFR-SWLSCSKDSA-N 0 3 362.430 1.595 20 10 FDCDHN COc1cc(C(=O)N2CCc3c(CN(C)C(C)C)n[nH]c3C2)cc(O)c1O ZINC001193088303 969458652 /nfs/dbraw/zinc/45/86/52/969458652.db2.gz CUBZSNRVZCPINI-UHFFFAOYSA-N 0 3 374.441 1.868 20 10 FDCDHN C[C@H](NCC(=O)NCC(C)(C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000775834982 972956606 /nfs/dbraw/zinc/95/66/06/972956606.db2.gz XNVNPIGXQGFEJR-INIZCTEOSA-N 0 3 362.518 1.630 20 10 FDCDHN C[C@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000775834831 972959412 /nfs/dbraw/zinc/95/94/12/972959412.db2.gz QUWMNPUJQYBODX-HNNXBMFYSA-N 0 3 358.486 1.484 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCOCC1)C[C@H]1CCCO1 ZINC000863969056 973339252 /nfs/dbraw/zinc/33/92/52/973339252.db2.gz RFHUOULYLBPVKU-ZWKOTPCHSA-N 0 3 365.470 1.666 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CC1(O)CCOCC1)C[C@H]1CCCO1 ZINC000863969056 973339263 /nfs/dbraw/zinc/33/92/63/973339263.db2.gz RFHUOULYLBPVKU-ZWKOTPCHSA-N 0 3 365.470 1.666 20 10 FDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000121141711 975827949 /nfs/dbraw/zinc/82/79/49/975827949.db2.gz VKEBBFJFJJCXPZ-MRXNPFEDSA-N 0 3 355.394 1.702 20 10 FDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000121141711 975827961 /nfs/dbraw/zinc/82/79/61/975827961.db2.gz VKEBBFJFJJCXPZ-MRXNPFEDSA-N 0 3 355.394 1.702 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)NCC(=O)N2CCOCC2)c1O ZINC000848537965 976895471 /nfs/dbraw/zinc/89/54/71/976895471.db2.gz QNSMVSPFPDQGAK-SNVBAGLBSA-N 0 3 373.247 1.673 20 10 FDCDHN CCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCN(CC)C1 ZINC000850692070 978617206 /nfs/dbraw/zinc/61/72/06/978617206.db2.gz MHFPFWVKYYXRNR-GOSISDBHSA-N 0 3 360.502 1.654 20 10 FDCDHN COCC[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000884194830 982970890 /nfs/dbraw/zinc/97/08/90/982970890.db2.gz SLFDPYFZSFOMIB-ZENOOKHLSA-N 0 3 353.438 1.419 20 10 FDCDHN COCC[C@@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000884203844 982979457 /nfs/dbraw/zinc/97/94/57/982979457.db2.gz GRTRRYQRWYBWLC-OAHLLOKOSA-N 0 3 357.401 1.737 20 10 FDCDHN COCC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229395 983004364 /nfs/dbraw/zinc/00/43/64/983004364.db2.gz PJGOSWDLIXBTML-SWLSCSKDSA-N 0 3 357.401 1.737 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4CC[C@@H](O)[C@@H]43)CC2)cc1 ZINC000860125234 983247797 /nfs/dbraw/zinc/24/77/97/983247797.db2.gz CYRMHXQGOPEJPU-QKYXUNIQSA-N 0 3 359.470 1.189 20 10 FDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCSc1nccs1 ZINC000888565796 986900178 /nfs/dbraw/zinc/90/01/78/986900178.db2.gz VCCBXUVJGGAMRH-LBPRGKRZSA-N 0 3 371.532 1.387 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000825728321 990223776 /nfs/dbraw/zinc/22/37/76/990223776.db2.gz TYCARMFJWYVSBC-DBXWQHBBSA-N 0 3 373.497 1.876 20 10 FDCDHN Cc1cccc(O)c1CNCc1ccccc1S(=O)(=O)N(C)CCO ZINC000877033631 993022333 /nfs/dbraw/zinc/02/23/33/993022333.db2.gz IVCXVTUWZNRYHO-UHFFFAOYSA-N 0 3 364.467 1.603 20 10 FDCDHN Cc1cccc(O)c1CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000877174734 993086614 /nfs/dbraw/zinc/08/66/14/993086614.db2.gz UWQPKYWSFWLFGS-OAHLLOKOSA-N 0 3 354.472 1.327 20 10 FDCDHN O=C(CNC(=O)CN[C@H]1CCc2cccc(O)c21)NCc1ccccc1 ZINC000926965268 996377606 /nfs/dbraw/zinc/37/76/06/996377606.db2.gz RQDHFJHVQVDOQR-INIZCTEOSA-N 0 3 353.422 1.402 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)N3CCN(C4CC4)CC3)cc2)CC1 ZINC000889669400 998519438 /nfs/dbraw/zinc/51/94/38/998519438.db2.gz IPBBTJPKLAPPAZ-UHFFFAOYSA-N 0 3 357.502 1.428 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCc1cnccn1)cc2=O ZINC000271341071 999693707 /nfs/dbraw/zinc/69/37/07/999693707.db2.gz NGQPLTJQXWYFIY-UHFFFAOYSA-N 0 3 356.386 1.076 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000283711364 999760655 /nfs/dbraw/zinc/76/06/55/999760655.db2.gz AEWRZDHLLAWFQG-INIZCTEOSA-N 0 3 372.513 1.916 20 10 FDCDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000284433557 999832413 /nfs/dbraw/zinc/83/24/13/999832413.db2.gz YRXBDFBUKJLUKF-KRWDZBQOSA-N 0 3 372.513 1.751 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(=O)n(C)c2)N(C)C)cc1 ZINC000929903435 1002583083 /nfs/dbraw/zinc/58/30/83/1002583083.db2.gz NPPZMHBRTAUOPY-KRWDZBQOSA-N 0 3 357.458 1.876 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC2=CCCC2)N(C)C)cc1 ZINC000931015914 1003775329 /nfs/dbraw/zinc/77/53/29/1003775329.db2.gz JSLKDOXSMCTWIG-SFHVURJKSA-N 0 3 358.486 1.698 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC23CCC3)N(C)C)cc1 ZINC000931215576 1003966534 /nfs/dbraw/zinc/96/65/34/1003966534.db2.gz QPEIPVNIWUCHRD-SJORKVTESA-N 0 3 358.486 1.530 20 10 FDCDHN COC1CCN(c2ccc(CN[C@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000933035812 1005321968 /nfs/dbraw/zinc/32/19/68/1005321968.db2.gz MSBUABSJQIQQCA-IBGZPJMESA-N 0 3 373.497 1.687 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934253033 1005721356 /nfs/dbraw/zinc/72/13/56/1005721356.db2.gz AWCGYUFLEPNCAN-PMACEKPBSA-N 0 3 374.529 1.242 20 10 FDCDHN CN(CCO)S(=O)(=O)c1ccccc1CNCc1ccccc1O ZINC000113361525 524672743 /nfs/dbraw/zinc/67/27/43/524672743.db2.gz JLJFFDZDWDALLB-UHFFFAOYSA-N 0 3 350.440 1.295 20 10 FDCDHN COc1cccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1[O-] ZINC000092759593 524913696 /nfs/dbraw/zinc/91/36/96/524913696.db2.gz VMJDQYKNXUUAON-UHFFFAOYSA-N 0 3 358.442 1.776 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@@](C)(O)CN(C)C)cc1F ZINC000126170168 525280562 /nfs/dbraw/zinc/28/05/62/525280562.db2.gz JWNDNUCYBXSSLG-GOSISDBHSA-N 0 3 354.470 1.784 20 10 FDCDHN COc1ccc(N2CCN(C(=O)NC[C@H]3CCCN3C)CC2)cc1F ZINC000126796522 525352601 /nfs/dbraw/zinc/35/26/01/525352601.db2.gz HBZQGGPCOPWIQO-OAHLLOKOSA-N 0 3 350.438 1.760 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)[C@]3(F)CCNC3)CC2)cc1 ZINC000178872316 525495686 /nfs/dbraw/zinc/49/56/86/525495686.db2.gz BNITWORJDMAETD-IBGZPJMESA-N 0 3 364.465 1.025 20 10 FDCDHN Cc1cccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1O ZINC000180356085 525695741 /nfs/dbraw/zinc/69/57/41/525695741.db2.gz OEDPZVONZGNUGX-UHFFFAOYSA-N 0 3 369.469 1.649 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1CSC)cc2=O ZINC000268955700 537016238 /nfs/dbraw/zinc/01/62/38/537016238.db2.gz FZPOEIDGYGZKSY-LBPRGKRZSA-N 0 3 350.444 1.939 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000282400862 537325526 /nfs/dbraw/zinc/32/55/26/537325526.db2.gz XGAJYHBQTBUWOZ-UHFFFAOYSA-N 0 3 361.534 1.920 20 10 FDCDHN COc1c([O-])c(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278849694 537341459 /nfs/dbraw/zinc/34/14/59/537341459.db2.gz KWUSOMQCGPXAHE-MRXNPFEDSA-N 0 3 366.462 1.671 20 10 FDCDHN Cc1cccc(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1O ZINC000179674859 672163855 /nfs/dbraw/zinc/16/38/55/672163855.db2.gz UNSRAFSIMBOEEC-UHFFFAOYSA-N 0 3 361.467 1.670 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000246450818 672514720 /nfs/dbraw/zinc/51/47/20/672514720.db2.gz DXBZLDUYBLJQSJ-ROUUACIJSA-N 0 3 350.459 1.066 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000246450818 672514722 /nfs/dbraw/zinc/51/47/22/672514722.db2.gz DXBZLDUYBLJQSJ-ROUUACIJSA-N 0 3 350.459 1.066 20 10 FDCDHN O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000297150354 676424483 /nfs/dbraw/zinc/42/44/83/676424483.db2.gz ZYLZMYGLIKFBKQ-CHWSQXEVSA-N 0 3 353.465 1.865 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc3nccn3c2)N(C)C)cc1 ZINC000891245737 774081146 /nfs/dbraw/zinc/08/11/46/774081146.db2.gz IMJAMTFEDBKBBX-KRWDZBQOSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)N(C)C)cc1 ZINC000891247226 774092821 /nfs/dbraw/zinc/09/28/21/774092821.db2.gz RTKAUQQVFAVFDA-FUHWJXTLSA-N 0 3 370.501 1.716 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)N(C)C)cc1 ZINC000891247388 774093777 /nfs/dbraw/zinc/09/37/77/774093777.db2.gz JTGKEPUFUXDBPU-NVXWUHKLSA-N 0 3 356.474 1.326 20 10 FDCDHN Cc1cc(C)n(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(=O)n1 ZINC000891249334 774105550 /nfs/dbraw/zinc/10/55/50/774105550.db2.gz RAKDQXFKAJMYRX-GOSISDBHSA-N 0 3 371.485 1.345 20 10 FDCDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891248717 774110872 /nfs/dbraw/zinc/11/08/72/774110872.db2.gz NHLACZDIUQOKTC-OAHLLOKOSA-N 0 3 374.445 1.910 20 10 FDCDHN COc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)nn1C ZINC000891253079 774139891 /nfs/dbraw/zinc/13/98/91/774139891.db2.gz QHUNEQVYBWSAHD-MRXNPFEDSA-N 0 3 359.474 1.836 20 10 FDCDHN COC(=O)NC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254158 774150433 /nfs/dbraw/zinc/15/04/33/774150433.db2.gz WNWQGCKAXSIUIY-OAHLLOKOSA-N 0 3 350.463 1.606 20 10 FDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000185748343 794787148 /nfs/dbraw/zinc/78/71/48/794787148.db2.gz HCRAOHPJIALMHX-SFHVURJKSA-N 0 3 371.529 1.888 20 10 FDCDHN Cc1c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cnn1C ZINC000893866160 809776238 /nfs/dbraw/zinc/77/62/38/809776238.db2.gz DRLUMPFVMTZQLK-GOSISDBHSA-N 0 3 358.490 1.897 20 10 FDCDHN COC[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC000894102666 810001787 /nfs/dbraw/zinc/00/17/87/810001787.db2.gz PJNPHHIQDWEUFL-DLBZAZTESA-N 0 3 352.479 1.316 20 10 FDCDHN CON(C)C(=O)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896048873 823965248 /nfs/dbraw/zinc/96/52/48/823965248.db2.gz VEXYPSJURVHLES-XJKSGUPXSA-N 0 3 365.478 1.063 20 10 FDCDHN CO[C@@H]1CCOC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898074706 840751472 /nfs/dbraw/zinc/75/14/72/840751472.db2.gz VVXVWJBQNYIUFI-FGTMMUONSA-N 0 3 364.490 1.458 20 10 FDCDHN COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(C)cc1[O-])CCS2(=O)=O ZINC000898481330 844747081 /nfs/dbraw/zinc/74/70/81/844747081.db2.gz JPNGQNROQPBEHF-CSLYMUCUSA-N 0 3 367.467 1.689 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](O)[C@H](F)C2)N(C)C)cc1 ZINC000899095707 845756253 /nfs/dbraw/zinc/75/62/53/845756253.db2.gz LEBBPTVKSTVVDF-IKGGRYGDSA-N 0 3 352.454 1.470 20 10 FDCDHN CCC(=O)N1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899097045 845759186 /nfs/dbraw/zinc/75/91/86/845759186.db2.gz YXWOIQKAAMXSDJ-KRWDZBQOSA-N 0 3 361.490 1.577 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)c2cnn(C)c2)N(C)C)cc1 ZINC000899102608 845775751 /nfs/dbraw/zinc/77/57/51/845775751.db2.gz RGSLSMZJLCRHAP-ROUUACIJSA-N 0 3 374.489 1.122 20 10 FDCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NCCF ZINC000899103551 845776718 /nfs/dbraw/zinc/77/67/18/845776718.db2.gz MUUBHCDOKQSYAA-BBRMVZONSA-N 0 3 367.469 1.129 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@@H](CF)C2)N(C)C)cc1 ZINC000899099045 845792765 /nfs/dbraw/zinc/79/27/65/845792765.db2.gz UYLSLNXHHUDDPR-DLBZAZTESA-N 0 3 352.454 1.735 20 10 FDCDHN CC(C)NC(=O)CNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899725075 846627023 /nfs/dbraw/zinc/62/70/23/846627023.db2.gz SDHQSVFVTJLVCE-MRXNPFEDSA-N 0 3 365.547 1.344 20 10 FDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)nn1 ZINC000762457371 875947067 /nfs/dbraw/zinc/94/70/67/875947067.db2.gz BTGSXVMIEIFIEY-BLLLJJGKSA-N 0 3 374.397 1.033 20 10 FDCDHN COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)nn1 ZINC000762457371 875947069 /nfs/dbraw/zinc/94/70/69/875947069.db2.gz BTGSXVMIEIFIEY-BLLLJJGKSA-N 0 3 374.397 1.033 20 10 FDCDHN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)nn1 ZINC000762457371 875947075 /nfs/dbraw/zinc/94/70/75/875947075.db2.gz BTGSXVMIEIFIEY-BLLLJJGKSA-N 0 3 374.397 1.033 20 10 FDCDHN CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000922406019 878104521 /nfs/dbraw/zinc/10/45/21/878104521.db2.gz ZLHMVEURFONOHI-DNVCBOLYSA-N 0 3 358.442 1.976 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@@H+]1CCCC[C@H]1C ZINC000920448953 886940870 /nfs/dbraw/zinc/94/08/70/886940870.db2.gz TUUQMJWOHBLBJM-OLZOCXBDSA-N 0 3 369.487 1.756 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@H+]1CCCC[C@H]1C ZINC000920448953 886940876 /nfs/dbraw/zinc/94/08/76/886940876.db2.gz TUUQMJWOHBLBJM-OLZOCXBDSA-N 0 3 369.487 1.756 20 10 FDCDHN CCN1CCN(c2ccc(CNCc3cnc4n3CCOC4)cc2F)CC1 ZINC000921704569 897154860 /nfs/dbraw/zinc/15/48/60/897154860.db2.gz LDCBVXXOEPJGIM-UHFFFAOYSA-N 0 3 373.476 1.984 20 10 FDCDHN CN(C)c1ccc(CNC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000186059353 901978742 /nfs/dbraw/zinc/97/87/42/901978742.db2.gz JFGRMUONYPPKIU-UHFFFAOYSA-N 0 3 361.534 1.968 20 10 FDCDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cccc3nonc32)c2ccccc2O1 ZINC000765202629 906532617 /nfs/dbraw/zinc/53/26/17/906532617.db2.gz JHBNMOPKORJHAT-GFCCVEGCSA-N 0 3 374.422 1.741 20 10 FDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N(C)C ZINC000730280466 916456656 /nfs/dbraw/zinc/45/66/56/916456656.db2.gz VCNONOWESYOILH-AEFFLSMTSA-N 0 3 360.502 1.591 20 10 FDCDHN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000746668849 932252214 /nfs/dbraw/zinc/25/22/14/932252214.db2.gz SEFCLHVADRFBPJ-UHFFFAOYSA-N 0 3 365.449 1.389 20 10 FDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000787752428 932387321 /nfs/dbraw/zinc/38/73/21/932387321.db2.gz UMSMRVRWPQMGFY-MRXNPFEDSA-N 0 3 372.513 1.676 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804731964 938557350 /nfs/dbraw/zinc/55/73/50/938557350.db2.gz ZUAOMOVOMWGQDX-GOSISDBHSA-N 0 3 372.513 1.702 20 10 FDCDHN O=C1[C@H](NCc2ccc(N3CCOCC3)cc2)CCN1C1CCOCC1 ZINC000747621898 941033515 /nfs/dbraw/zinc/03/35/15/941033515.db2.gz FTJAMULYXYLLKY-LJQANCHMSA-N 0 3 359.470 1.393 20 10 FDCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000817811740 942966474 /nfs/dbraw/zinc/96/64/74/942966474.db2.gz POPRNKOZOBBHDY-SFHVURJKSA-N 0 3 372.513 1.626 20 10 FDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000817862415 943050716 /nfs/dbraw/zinc/05/07/16/943050716.db2.gz XMPYTMJRPZSECQ-VQIMIIECSA-N 0 3 374.529 1.709 20 10 FDCDHN C[C@H]([C@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000775700500 971550846 /nfs/dbraw/zinc/55/08/46/971550846.db2.gz PFZXGIIPOJOHPM-JKSUJKDBSA-N 0 3 353.532 1.692 20 10 FDCDHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3c(O)cccc3O)cc21 ZINC001178917827 964559449 /nfs/dbraw/zinc/55/94/49/964559449.db2.gz UIVOIYHRQJCQNN-UHFFFAOYSA-N 0 3 370.409 1.645 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@H]3C[C@H](O)C34CCC4)CC2)cc1 ZINC000852586369 967447960 /nfs/dbraw/zinc/44/79/60/967447960.db2.gz QLJYUVMMAHCBST-ROUUACIJSA-N 0 3 359.470 1.237 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)C2)cc1 ZINC000852844740 967651662 /nfs/dbraw/zinc/65/16/62/967651662.db2.gz ZHELTHOAVQPUMV-QMLHBMHXSA-N 0 3 373.497 1.923 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 ZINC000775376341 967766351 /nfs/dbraw/zinc/76/63/51/967766351.db2.gz UDVUGJXRTARKBB-UONOGXRCSA-N 0 3 363.458 1.569 20 10 FDCDHN CCOC(=O)N1CCN(C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775835518 972946491 /nfs/dbraw/zinc/94/64/91/972946491.db2.gz UCBOEWYHVIINEX-OAHLLOKOSA-N 0 3 362.474 1.704 20 10 FDCDHN CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C)cc1[O-] ZINC000794804972 973966118 /nfs/dbraw/zinc/96/61/18/973966118.db2.gz WMYSUQCDUKPNOV-HNNXBMFYSA-N 0 3 353.444 1.849 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848352237 976671211 /nfs/dbraw/zinc/67/12/11/976671211.db2.gz NPIXKDQFYFGLBB-LSDHHAIUSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848352237 976671220 /nfs/dbraw/zinc/67/12/20/976671220.db2.gz NPIXKDQFYFGLBB-LSDHHAIUSA-N 0 3 367.471 1.510 20 10 FDCDHN C[C@@](O)(CNCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(F)(F)F ZINC000849326108 977428410 /nfs/dbraw/zinc/42/84/10/977428410.db2.gz CUCSCLFSCXLKHF-CQSZACIVSA-N 0 3 366.405 1.324 20 10 FDCDHN C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1O ZINC000868371162 977551193 /nfs/dbraw/zinc/55/11/93/977551193.db2.gz QZKDODGTEMEIAO-HOCLYGCPSA-N 0 3 362.474 1.695 20 10 FDCDHN COc1ccc(O)c(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849562281 977753033 /nfs/dbraw/zinc/75/30/33/977753033.db2.gz DRFMEBBJVPPVBE-IAGOWNOFSA-N 0 3 358.442 1.486 20 10 FDCDHN Nc1nc(N)nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000858385781 982020686 /nfs/dbraw/zinc/02/06/86/982020686.db2.gz GRURSSYDWIIUSR-UHFFFAOYSA-N 0 3 351.361 1.718 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1F ZINC000862364892 984360131 /nfs/dbraw/zinc/36/01/31/984360131.db2.gz IVTWNBFOQSAXIP-KPZWWZAWSA-N 0 3 366.412 1.983 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1[O-] ZINC000862482812 984399546 /nfs/dbraw/zinc/39/95/46/984399546.db2.gz YAMVKNDGULLSME-ZDUSSCGKSA-N 0 3 374.832 1.860 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c1[O-] ZINC000872262811 987557680 /nfs/dbraw/zinc/55/76/80/987557680.db2.gz QCFOXYUFJYFULK-OAHLLOKOSA-N 0 3 371.231 1.774 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CCCN(CCCO)C1 ZINC000296448392 989215141 /nfs/dbraw/zinc/21/51/41/989215141.db2.gz OAIUEUMULVZBOM-AIADIJKESA-N 0 3 373.497 1.499 20 10 FDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000825721238 990038336 /nfs/dbraw/zinc/03/83/36/990038336.db2.gz MADRHZMWKKIWIV-MRXNPFEDSA-N 0 3 373.501 1.548 20 10 FDCDHN NS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876720523 992831285 /nfs/dbraw/zinc/83/12/85/992831285.db2.gz JWXYEKRMQGGPSJ-MRXNPFEDSA-N 0 3 367.515 1.148 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](N)CCC(C)C)cc2)CC1 ZINC000876909854 992962516 /nfs/dbraw/zinc/96/25/16/992962516.db2.gz KJCNGUJDZBEEMY-IBGZPJMESA-N 0 3 360.502 1.735 20 10 FDCDHN Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c([O-])c1 ZINC000877058938 993034181 /nfs/dbraw/zinc/03/41/81/993034181.db2.gz OMTZAHQYNAEYIN-UHFFFAOYSA-N 0 3 364.471 1.377 20 10 FDCDHN Cc1ccc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(O)c1 ZINC000877173534 993085001 /nfs/dbraw/zinc/08/50/01/993085001.db2.gz FQDHLZSKYKZDEN-MRXNPFEDSA-N 0 3 354.472 1.327 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)CCSC)CC2)c(OC)c1 ZINC000877227153 993117891 /nfs/dbraw/zinc/11/78/91/993117891.db2.gz DGXOWSQOVPRVMZ-CQSZACIVSA-N 0 3 353.488 1.433 20 10 FDCDHN CN1CCN(c2ccc(CN3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)cc2)CC1 ZINC000877790746 993515894 /nfs/dbraw/zinc/51/58/94/993515894.db2.gz GRHYXJKMVZFBIW-QZTJIDSGSA-N 0 3 363.527 1.305 20 10 FDCDHN C[C@@H](NCC(=O)NCC(=O)NCc1ccccc1)c1cc(F)ccc1O ZINC000926964079 996375630 /nfs/dbraw/zinc/37/56/30/996375630.db2.gz JECCJPRBBSHYAQ-CYBMUJFWSA-N 0 3 359.401 1.615 20 10 FDCDHN O=C(C[C@H]1CNCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269278014 999466543 /nfs/dbraw/zinc/46/65/43/999466543.db2.gz YQERDGZCTKIGLY-CJNGLKHVSA-N 0 3 369.412 1.752 20 10 FDCDHN CC[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000931002106 1003758583 /nfs/dbraw/zinc/75/85/83/1003758583.db2.gz VYRTXUGALMGONE-ROUUACIJSA-N 0 3 360.502 1.776 20 10 FDCDHN C[C@@H](NCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccccc1O ZINC000931555241 1004259688 /nfs/dbraw/zinc/25/96/88/1004259688.db2.gz VSSKYYNQYDNBHK-LLVKDONJSA-N 0 3 361.364 1.522 20 10 FDCDHN C[C@@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccccc1[O-] ZINC000931555241 1004259695 /nfs/dbraw/zinc/25/96/95/1004259695.db2.gz VSSKYYNQYDNBHK-LLVKDONJSA-N 0 3 361.364 1.522 20 10 FDCDHN CCN(CC1CC1)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000934317674 1005731849 /nfs/dbraw/zinc/73/18/49/1005731849.db2.gz UKGMPYWRIJXGAM-SFHVURJKSA-N 0 3 360.502 1.730 20 10 FDCDHN CN(C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)S(C)(=O)=O ZINC000795651655 1007336108 /nfs/dbraw/zinc/33/61/08/1007336108.db2.gz IMKSTDYEDFVWOM-GFCCVEGCSA-N 0 3 356.444 1.224 20 10 FDCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000795686903 1007969611 /nfs/dbraw/zinc/96/96/11/1007969611.db2.gz HIYDXAPNHCQCBY-SWLSCSKDSA-N 0 3 361.316 1.745 20 10 FDCDHN COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000268338521 674087905 /nfs/dbraw/zinc/08/79/05/674087905.db2.gz KKNUSNWCAWBKNV-UHFFFAOYSA-N 0 3 363.435 1.770 20 10 FDCDHN CCC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1[O-] ZINC000157066439 524202319 /nfs/dbraw/zinc/20/23/19/524202319.db2.gz FMQCOVNMYWECQK-UHFFFAOYSA-N 0 3 371.441 1.052 20 10 FDCDHN CCC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1[O-] ZINC000157066439 524202324 /nfs/dbraw/zinc/20/23/24/524202324.db2.gz FMQCOVNMYWECQK-UHFFFAOYSA-N 0 3 371.441 1.052 20 10 FDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112506138 524495848 /nfs/dbraw/zinc/49/58/48/524495848.db2.gz MBUOBGDRXYECFD-QGZVFWFLSA-N 0 3 369.469 1.777 20 10 FDCDHN C[C@@H](NCCOCCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000090103565 524582275 /nfs/dbraw/zinc/58/22/75/524582275.db2.gz OJDDAOGGZMJBKZ-CQSZACIVSA-N 0 3 374.478 1.374 20 10 FDCDHN C[C@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034091 525794108 /nfs/dbraw/zinc/79/41/08/525794108.db2.gz UEPFDFATXYFITC-FUHWJXTLSA-N 0 3 360.502 1.336 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN[C@H](CC(N)=O)C2CCCCC2)cc1 ZINC000182051478 526035937 /nfs/dbraw/zinc/03/59/37/526035937.db2.gz ZPWMBJOWXKGNRI-GOSISDBHSA-N 0 3 360.502 1.783 20 10 FDCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000246368408 536937333 /nfs/dbraw/zinc/93/73/33/536937333.db2.gz JASJWUHEGWAJDM-HKUYNNGSSA-N 0 3 374.529 1.726 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H]4OCCC[C@H]4C3)CC2)cc1 ZINC000246829540 537035591 /nfs/dbraw/zinc/03/55/91/537035591.db2.gz SMAZZJHVEDVKII-FXAWDEMLSA-N 0 3 373.497 1.845 20 10 FDCDHN CCCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1O ZINC000263905182 537130621 /nfs/dbraw/zinc/13/06/21/537130621.db2.gz FQLPUOJTRURIFI-UHFFFAOYSA-N 0 3 359.470 1.685 20 10 FDCDHN CCN1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)CC1 ZINC000278207418 537281091 /nfs/dbraw/zinc/28/10/91/537281091.db2.gz JTFKJALPYGTMTH-HNNXBMFYSA-N 0 3 364.446 1.521 20 10 FDCDHN CCN1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)CC1 ZINC000278207418 537281099 /nfs/dbraw/zinc/28/10/99/537281099.db2.gz JTFKJALPYGTMTH-HNNXBMFYSA-N 0 3 364.446 1.521 20 10 FDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2=O)c([O-])c1 ZINC000363860023 537346560 /nfs/dbraw/zinc/34/65/60/537346560.db2.gz TXCJAHZLSIDESS-SJLPKXTDSA-N 0 3 361.486 1.674 20 10 FDCDHN CCC[C@@]1(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOC1 ZINC000285681925 537745840 /nfs/dbraw/zinc/74/58/40/537745840.db2.gz UWKZMXUYVHCUHR-HXUWFJFHSA-N 0 3 361.486 1.893 20 10 FDCDHN CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291189496 676248542 /nfs/dbraw/zinc/24/85/42/676248542.db2.gz KLODMRSIEITFEQ-LBPRGKRZSA-N 0 3 357.476 1.614 20 10 FDCDHN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291189496 676248543 /nfs/dbraw/zinc/24/85/43/676248543.db2.gz KLODMRSIEITFEQ-LBPRGKRZSA-N 0 3 357.476 1.614 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000373944423 678069055 /nfs/dbraw/zinc/06/90/55/678069055.db2.gz BOWHQIDESQTZEF-YPMHNXCESA-N 0 3 353.444 1.120 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000373944423 678069060 /nfs/dbraw/zinc/06/90/60/678069060.db2.gz BOWHQIDESQTZEF-YPMHNXCESA-N 0 3 353.444 1.120 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3cncn3C2)N(C)C)cc1 ZINC000891247081 774091096 /nfs/dbraw/zinc/09/10/96/774091096.db2.gz HEMUERWSRYLXFA-APWZRJJASA-N 0 3 355.486 1.931 20 10 FDCDHN Cc1occc1C(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247403 774093796 /nfs/dbraw/zinc/09/37/96/774093796.db2.gz GZZYCYZELUHGKJ-SFHVURJKSA-N 0 3 372.469 1.803 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3nncn3C2)N(C)C)cc1 ZINC000891247389 774094044 /nfs/dbraw/zinc/09/40/44/774094044.db2.gz JTGKEPUFUXDBPU-RDJZCZTQSA-N 0 3 356.474 1.326 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000891248471 774097145 /nfs/dbraw/zinc/09/71/45/774097145.db2.gz MGUVFMBCACIKSX-AWEZNQCLSA-N 0 3 360.418 1.427 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)N(C)C)cc1 ZINC000891248271 774102610 /nfs/dbraw/zinc/10/26/10/774102610.db2.gz XHVGBLSJBGXGCG-ZWKOTPCHSA-N 0 3 360.502 1.730 20 10 FDCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ncc1C(N)=O ZINC000891250150 774120572 /nfs/dbraw/zinc/12/05/72/774120572.db2.gz UYHQWNWXOZWGIF-GOSISDBHSA-N 0 3 369.469 1.588 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C(=O)NC3CC3)CC2)N(C)C)cc1 ZINC000891251198 774128534 /nfs/dbraw/zinc/12/85/34/774128534.db2.gz AUCNVXZRYCEBEK-QGZVFWFLSA-N 0 3 358.486 1.530 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cccnc2)N(C)C)cc1 ZINC000891251087 774128755 /nfs/dbraw/zinc/12/87/55/774128755.db2.gz DMVILXINTFYFAM-SFHVURJKSA-N 0 3 369.469 1.297 20 10 FDCDHN C[NH+](C)CCN1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000891804925 779511803 /nfs/dbraw/zinc/51/18/03/779511803.db2.gz BBXYGQCUSVMFAZ-UHFFFAOYSA-N 0 3 354.882 1.871 20 10 FDCDHN CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)ccc21 ZINC000892492826 785261859 /nfs/dbraw/zinc/26/18/59/785261859.db2.gz UOUMDIXJQBTVDH-PMACEKPBSA-N 0 3 372.513 1.810 20 10 FDCDHN COc1ccc(CNCCS(=O)(=O)c2ccccc2)c(O)c1OC ZINC000892666565 788212180 /nfs/dbraw/zinc/21/21/80/788212180.db2.gz HTDLRQAUQQFJGY-UHFFFAOYSA-N 0 3 351.424 1.973 20 10 FDCDHN CS[C@H](CO)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893118764 793076239 /nfs/dbraw/zinc/07/62/39/793076239.db2.gz KEGTZXBTPIRQDY-IAOVAPTHSA-N 0 3 368.547 1.767 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCN(C)C2=O)N(C)C)cc1 ZINC000893417997 802603580 /nfs/dbraw/zinc/60/35/80/802603580.db2.gz FVZAYANVSYPKMG-DLBZAZTESA-N 0 3 361.490 1.275 20 10 FDCDHN COC(=O)N1CC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000893761455 809708388 /nfs/dbraw/zinc/70/83/88/809708388.db2.gz FAKBXINEUDJTRB-MRXNPFEDSA-N 0 3 363.462 1.105 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178824317 810708929 /nfs/dbraw/zinc/70/89/29/810708929.db2.gz BOJRRFLZZDLMFO-GOSISDBHSA-N 0 3 360.502 1.023 20 10 FDCDHN COc1ccccc1CCNC(=O)CNCc1ccc(OC)c(OC)c1O ZINC000894218215 811268802 /nfs/dbraw/zinc/26/88/02/811268802.db2.gz AKBHQDAEBDCKFM-UHFFFAOYSA-N 0 3 374.437 1.867 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCc2cnn(C)n2)N(C)C)cc1 ZINC000895048499 819597394 /nfs/dbraw/zinc/59/73/94/819597394.db2.gz WDHPVCIAJKDBMJ-GOSISDBHSA-N 0 3 373.505 1.416 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729497828 819857995 /nfs/dbraw/zinc/85/79/95/819857995.db2.gz CUQFRFRVVWBDNB-RTBURBONSA-N 0 3 374.485 1.186 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(CC(N)=O)CC2)N(C)C)cc1 ZINC000895413090 822589292 /nfs/dbraw/zinc/58/92/92/822589292.db2.gz KWUDWWVIQQXVBZ-MRXNPFEDSA-N 0 3 361.490 1.310 20 10 FDCDHN COC(=O)c1c(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)c2cc(F)ccc2n1C ZINC000896854596 825320683 /nfs/dbraw/zinc/32/06/83/825320683.db2.gz BFZJUQPUWZXNGA-ZUCKAHLUSA-N 0 3 362.401 1.998 20 10 FDCDHN COc1cc([O-])c(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc1I ZINC001204842701 833110098 /nfs/dbraw/zinc/11/00/98/833110098.db2.gz BPQFHEPKDWRYLH-SCZZXKLOSA-N 0 3 366.174 1.486 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1F ZINC000842148401 844986723 /nfs/dbraw/zinc/98/67/23/844986723.db2.gz NETAIUSTQVDUJO-MRXNPFEDSA-N 0 3 358.417 1.324 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@H](O)C(F)F)N(C)C)cc1 ZINC000899097592 845759807 /nfs/dbraw/zinc/75/98/07/845759807.db2.gz BZNRDQSQRMMQEB-GJZGRUSLSA-N 0 3 358.433 1.671 20 10 FDCDHN COCCOC1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899101272 845772511 /nfs/dbraw/zinc/77/25/11/845772511.db2.gz HBELEKDPTNTIFZ-GOSISDBHSA-N 0 3 364.490 1.412 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CO)c2ccnn2C)N(C)C)cc1 ZINC000899098060 845790161 /nfs/dbraw/zinc/79/01/61/845790161.db2.gz LFJIMDLVNKUIQG-WMZOPIPTSA-N 0 3 374.489 1.122 20 10 FDCDHN Cc1noc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000899098507 845791597 /nfs/dbraw/zinc/79/15/97/845791597.db2.gz PDMNUPIXHWXSMA-INIZCTEOSA-N 0 3 360.462 1.888 20 10 FDCDHN CO[C@](C)(CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098982 845792538 /nfs/dbraw/zinc/79/25/38/845792538.db2.gz UIVQZKNNQMWJFS-WMZOPIPTSA-N 0 3 352.479 1.052 20 10 FDCDHN CCC[C@H](O)[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098815 845792720 /nfs/dbraw/zinc/79/27/20/845792720.db2.gz SMSHMHDRNRXRPF-KURKYZTESA-N 0 3 366.506 1.176 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@]2(O)CCSC2)N(C)C)cc1 ZINC000899100815 845797870 /nfs/dbraw/zinc/79/78/70/845797870.db2.gz DZOQFAKGCAYESX-FUHWJXTLSA-N 0 3 366.531 1.523 20 10 FDCDHN C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@@]2(C)C1 ZINC000913284575 861798711 /nfs/dbraw/zinc/79/87/11/861798711.db2.gz PRXSVJNDRNKQGM-CALCHBBNSA-N 0 3 367.471 1.178 20 10 FDCDHN C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@@]2(C)C1 ZINC000913284575 861798723 /nfs/dbraw/zinc/79/87/23/861798723.db2.gz PRXSVJNDRNKQGM-CALCHBBNSA-N 0 3 367.471 1.178 20 10 FDCDHN COc1ccc(N2CC[C@@H](CNC(=O)c3ccnn3CCN(C)C)C2)cc1 ZINC000911277453 858397665 /nfs/dbraw/zinc/39/76/65/858397665.db2.gz VDTVOVMLAILMGV-INIZCTEOSA-N 0 3 371.485 1.710 20 10 FDCDHN CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(C)c1 ZINC000765976834 873929761 /nfs/dbraw/zinc/92/97/61/873929761.db2.gz BLWDXPHYGQHRTP-GOSISDBHSA-N 0 3 362.499 1.896 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)CCN(C)C3CC3)CC2)cc1 ZINC000186763367 881262364 /nfs/dbraw/zinc/26/23/64/881262364.db2.gz RXLNSHWWHJZYEZ-UHFFFAOYSA-N 0 3 360.502 1.370 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000918861607 884974941 /nfs/dbraw/zinc/97/49/41/884974941.db2.gz NVEYJLLKBRYEMQ-CQSZACIVSA-N 0 3 351.422 1.974 20 10 FDCDHN C[NH+](C)CCOc1cc(CNC(=O)NCc2c([O-])cccc2F)ccn1 ZINC000921706127 897227815 /nfs/dbraw/zinc/22/78/15/897227815.db2.gz TVYKHPJSNJUDSR-UHFFFAOYSA-N 0 3 362.405 1.866 20 10 FDCDHN COCCN(C)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000727033944 907009762 /nfs/dbraw/zinc/00/97/62/907009762.db2.gz ZRLZUOKHTKWNOW-KRWDZBQOSA-N 0 3 365.474 1.661 20 10 FDCDHN COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1ccccc1[O-] ZINC000731843707 918668968 /nfs/dbraw/zinc/66/89/68/918668968.db2.gz SBIUWCAQANUHBK-YBEGLDIGSA-N 0 3 350.440 1.804 20 10 FDCDHN COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000731843707 918668975 /nfs/dbraw/zinc/66/89/75/918668975.db2.gz SBIUWCAQANUHBK-YBEGLDIGSA-N 0 3 350.440 1.804 20 10 FDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000742246484 925983603 /nfs/dbraw/zinc/98/36/03/925983603.db2.gz YFPRZNSYBRIVDM-SFHVURJKSA-N 0 3 374.529 1.900 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000103175794 928464600 /nfs/dbraw/zinc/46/46/00/928464600.db2.gz DXZVLTUFWONFAK-UHFFFAOYSA-N 0 3 373.501 1.202 20 10 FDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000787670906 932363977 /nfs/dbraw/zinc/36/39/77/932363977.db2.gz NTNULZUISOBNEX-INIZCTEOSA-N 0 3 361.486 1.979 20 10 FDCDHN C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c2c1c(F)ccc2[O-] ZINC000806169297 938898704 /nfs/dbraw/zinc/89/87/04/938898704.db2.gz DINSVNAOWLJHMH-SCRDCRAPSA-N 0 3 371.478 1.940 20 10 FDCDHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807673332 940451271 /nfs/dbraw/zinc/45/12/71/940451271.db2.gz QUEKFPFNFWATRO-INIZCTEOSA-N 0 3 362.518 1.976 20 10 FDCDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000817831104 943041824 /nfs/dbraw/zinc/04/18/24/943041824.db2.gz JKZQTWZINUEFHG-SFHVURJKSA-N 0 3 356.470 1.232 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817861249 943050306 /nfs/dbraw/zinc/05/03/06/943050306.db2.gz GXNZYIQKKBIPOW-LPHOPBHVSA-N 0 3 374.529 1.661 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cncc(C)c3)CC2)cc1 ZINC000819195293 943470503 /nfs/dbraw/zinc/47/05/03/943470503.db2.gz ZMKMLAFHXRNLCV-FQEVSTJZSA-N 0 3 370.497 1.671 20 10 FDCDHN CCn1cc(CNC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000819305625 943511199 /nfs/dbraw/zinc/51/11/99/943511199.db2.gz MNQAFINOUCFSTM-IBGZPJMESA-N 0 3 373.501 1.184 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cccnc3F)CC2)cc1 ZINC000819276210 943523068 /nfs/dbraw/zinc/52/30/68/943523068.db2.gz FTVIVLXXQKARBJ-GOSISDBHSA-N 0 3 374.460 1.502 20 10 FDCDHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000824083746 946211937 /nfs/dbraw/zinc/21/19/37/946211937.db2.gz BXBGTPHZNDVFCC-ZIAGYGMSSA-N 0 3 355.460 1.222 20 10 FDCDHN CN1CCN(CC[N@H+](C)Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306654 948613905 /nfs/dbraw/zinc/61/39/05/948613905.db2.gz KXATXLJWXOFIEG-UHFFFAOYSA-N 0 3 360.271 1.973 20 10 FDCDHN CN1CCN(CC[N@@H+](C)Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306654 948613911 /nfs/dbraw/zinc/61/39/11/948613911.db2.gz KXATXLJWXOFIEG-UHFFFAOYSA-N 0 3 360.271 1.973 20 10 FDCDHN C[C@@H](CS(C)(=O)=O)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000775696475 971546458 /nfs/dbraw/zinc/54/64/58/971546458.db2.gz MHMRDRUTBLDJFC-INIZCTEOSA-N 0 3 365.543 1.836 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N(C)CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000846734723 951515593 /nfs/dbraw/zinc/51/55/93/951515593.db2.gz NTWCVKFVMPDBFW-MRXNPFEDSA-N 0 3 360.502 1.874 20 10 FDCDHN CCN1CCN(CCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000102484387 971754467 /nfs/dbraw/zinc/75/44/67/971754467.db2.gz QSKSYYZGHSYCHC-UHFFFAOYSA-N 0 3 374.529 1.808 20 10 FDCDHN COc1c([O-])c(CN2CCC(N(C)S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000774859807 963925152 /nfs/dbraw/zinc/92/51/52/963925152.db2.gz ULTQHAOGYZSXFB-UHFFFAOYSA-N 0 3 373.431 1.165 20 10 FDCDHN COc1c([O-])c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000774859807 963925156 /nfs/dbraw/zinc/92/51/56/963925156.db2.gz ULTQHAOGYZSXFB-UHFFFAOYSA-N 0 3 373.431 1.165 20 10 FDCDHN O=[N+]([O-])c1cc(CNCCN2CCNC2=S)ccc1N1CCCCC1 ZINC001179838045 965009794 /nfs/dbraw/zinc/00/97/94/965009794.db2.gz JCLJIBJRAQOFLH-UHFFFAOYSA-N 0 3 363.487 1.865 20 10 FDCDHN C[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000775254654 966991683 /nfs/dbraw/zinc/99/16/83/966991683.db2.gz MDGKKZWLZVHYCD-CQSZACIVSA-N 0 3 353.426 1.710 20 10 FDCDHN CCN(C(=O)CN[C@@H](C)c1cc(OC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000775369711 967685457 /nfs/dbraw/zinc/68/54/57/967685457.db2.gz FUDGXZAKUUYPJV-STQMWFEESA-N 0 3 370.471 1.087 20 10 FDCDHN CN1CCN(c2ccc(CN3CCN(C(=O)N4CCCC4)CC3)cc2)CC1 ZINC000775645819 970755374 /nfs/dbraw/zinc/75/53/74/970755374.db2.gz QVAFYXBJGKBKNO-UHFFFAOYSA-N 0 3 371.529 1.772 20 10 FDCDHN C[C@H](NS(=O)(=O)CCCN(C)C)c1ccc(N2CCOCC2)cc1 ZINC000866603571 975826882 /nfs/dbraw/zinc/82/68/82/975826882.db2.gz BJFRROIYKPZMCA-HNNXBMFYSA-N 0 3 355.504 1.455 20 10 FDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000121141618 975828338 /nfs/dbraw/zinc/82/83/38/975828338.db2.gz VKEBBFJFJJCXPZ-INIZCTEOSA-N 0 3 355.394 1.702 20 10 FDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000121141618 975828348 /nfs/dbraw/zinc/82/83/48/975828348.db2.gz VKEBBFJFJJCXPZ-INIZCTEOSA-N 0 3 355.394 1.702 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848940458 977269101 /nfs/dbraw/zinc/26/91/01/977269101.db2.gz YAICZTXCKYWXRF-OALUTQOASA-N 0 3 372.513 1.844 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000851654729 978985898 /nfs/dbraw/zinc/98/58/98/978985898.db2.gz GTUAAFOBNHCAIZ-UHFFFAOYSA-N 0 3 358.446 1.487 20 10 FDCDHN COC1CCN(c2ccc(CN(CC(N)=O)C3CCOCC3)cc2)CC1 ZINC000880395483 979161291 /nfs/dbraw/zinc/16/12/91/979161291.db2.gz MKZIGZBEVPNGMA-UHFFFAOYSA-N 0 3 361.486 1.768 20 10 FDCDHN C[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000851898309 979172991 /nfs/dbraw/zinc/17/29/91/979172991.db2.gz UZGSKFYGLSQFBU-KKSFZXQISA-N 0 3 369.465 1.547 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)Cc3n[nH]c4c3CCCC4)cc2)CC1 ZINC000881854276 980219394 /nfs/dbraw/zinc/21/93/94/980219394.db2.gz ZPOYLKSBHWGTJM-UHFFFAOYSA-N 0 3 367.497 1.899 20 10 FDCDHN C[C@H]1C[C@@H]([NH2+]CCc2nnc3c(=O)n(C)ccn23)c2c1c(F)ccc2[O-] ZINC000886699045 986483570 /nfs/dbraw/zinc/48/35/70/986483570.db2.gz RWLCIJGYKHLPDV-CMPLNLGQSA-N 0 3 357.389 1.653 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ccc(C)o3)CC2)cc1 ZINC000872223936 987524877 /nfs/dbraw/zinc/52/48/77/987524877.db2.gz PVMFBZXKPFLBRG-GOSISDBHSA-N 0 3 359.470 1.869 20 10 FDCDHN CC[C@H](C)N1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000296162255 988998933 /nfs/dbraw/zinc/99/89/33/988998933.db2.gz SXCUWJWCOYUITB-SFHVURJKSA-N 0 3 374.529 1.760 20 10 FDCDHN CCN1CCO[C@@H](CN2CCN([C@@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631097 989686759 /nfs/dbraw/zinc/68/67/59/989686759.db2.gz ONOKGCYKIDEURV-FUHWJXTLSA-N 0 3 363.502 1.800 20 10 FDCDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)Cc1ccc(N)cc1 ZINC000371271244 990330303 /nfs/dbraw/zinc/33/03/03/990330303.db2.gz OFJZEESRHQKDHG-UHFFFAOYSA-N 0 3 370.501 1.312 20 10 FDCDHN OC1CCN(c2ccc(CNCc3ccc(-n4cncn4)nc3)cc2)CC1 ZINC000876932152 992972319 /nfs/dbraw/zinc/97/23/19/992972319.db2.gz FNQNJLNJOASKGF-UHFFFAOYSA-N 0 3 364.453 1.913 20 10 FDCDHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877636503 993399750 /nfs/dbraw/zinc/39/97/50/993399750.db2.gz YZDUDAXTNHPMFU-SFHVURJKSA-N 0 3 360.502 1.835 20 10 FDCDHN CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879647792 995134829 /nfs/dbraw/zinc/13/48/29/995134829.db2.gz LPDIZAGDYDUXHZ-HZSPNIEDSA-N 0 3 354.472 1.467 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2C[C@@H](O)CN2C)cc1 ZINC000924994325 995220828 /nfs/dbraw/zinc/22/08/28/995220828.db2.gz TXDGWKJZGKYSQV-VQTJNVASSA-N 0 3 369.465 1.630 20 10 FDCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000777564726 995660620 /nfs/dbraw/zinc/66/06/20/995660620.db2.gz BWZSMWHXGMXQAP-ZANVPECISA-N 0 3 360.332 1.318 20 10 FDCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000777564726 995660626 /nfs/dbraw/zinc/66/06/26/995660626.db2.gz BWZSMWHXGMXQAP-ZANVPECISA-N 0 3 360.332 1.318 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCc2ccco2)N(C)C)cc1 ZINC000929206174 1001813420 /nfs/dbraw/zinc/81/34/20/1001813420.db2.gz BGADGSWDKMCMKJ-SFHVURJKSA-N 0 3 372.469 1.423 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CNC1(CC(=O)OC)CCC1)cc2=O ZINC000779199640 1002599282 /nfs/dbraw/zinc/59/92/82/1002599282.db2.gz JOMOWMVWTWUPPG-UHFFFAOYSA-N 0 3 362.386 1.187 20 10 FDCDHN C[C@@H](NC[C@H]1CN=C(c2cnn(C)c2)O1)c1ccc(N2CCOCC2)cc1 ZINC000930209141 1002929771 /nfs/dbraw/zinc/92/97/71/1002929771.db2.gz AZTZSGZYAQTMLK-BEFAXECRSA-N 0 3 369.469 1.753 20 10 FDCDHN CC(C)=CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000930330800 1003027237 /nfs/dbraw/zinc/02/72/37/1003027237.db2.gz OGCLUAADNGEPLY-GOSISDBHSA-N 0 3 360.502 1.944 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@@H](C)CC3)CC2)cc1 ZINC000932349288 1004919780 /nfs/dbraw/zinc/91/97/80/1004919780.db2.gz WFUMMWGWRLNKIK-HKUYNNGSSA-N 0 3 363.502 1.289 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCCCNC(=O)CC2)cc1 ZINC000934160993 1005703159 /nfs/dbraw/zinc/70/31/59/1005703159.db2.gz ITNJRRBXILRKKV-UHFFFAOYSA-N 0 3 360.502 1.703 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000779352566 1008766208 /nfs/dbraw/zinc/76/62/08/1008766208.db2.gz LYCFRTQJCVRBJH-UHFFFAOYSA-N 0 3 361.534 1.840 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)cc1F ZINC000271127704 674313022 /nfs/dbraw/zinc/31/30/22/674313022.db2.gz LXBNJTOAIQRADY-KRWDZBQOSA-N 0 3 352.454 1.388 20 10 FDCDHN C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055255345 523781255 /nfs/dbraw/zinc/78/12/55/523781255.db2.gz NIJSWSMCXRYFAE-GFCCVEGCSA-N 0 3 355.460 1.368 20 10 FDCDHN C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055255345 523781259 /nfs/dbraw/zinc/78/12/59/523781259.db2.gz NIJSWSMCXRYFAE-GFCCVEGCSA-N 0 3 355.460 1.368 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3[C@@H]4CC[C@H]3CC(O)C4)CC2)cc1 ZINC000111317455 524259559 /nfs/dbraw/zinc/25/95/59/524259559.db2.gz ILJDXUBXIVYGGL-JWTNVVGKSA-N 0 3 359.470 1.332 20 10 FDCDHN C[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000089596183 524514226 /nfs/dbraw/zinc/51/42/26/524514226.db2.gz BELCTWLUTZFHEX-CRAIPNDOSA-N 0 3 369.531 1.892 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178490426 525436191 /nfs/dbraw/zinc/43/61/91/525436191.db2.gz CJQFVBFRVYGCTL-IBGZPJMESA-N 0 3 374.529 1.365 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COC1CCOCC1 ZINC000154225573 525461810 /nfs/dbraw/zinc/46/18/10/525461810.db2.gz WOTIPZVIGNHALL-LJQANCHMSA-N 0 3 364.486 1.512 20 10 FDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)N(C)C ZINC000106908803 525820285 /nfs/dbraw/zinc/82/02/85/525820285.db2.gz ZRSHYGWTQPROFE-SFHVURJKSA-N 0 3 351.466 1.989 20 10 FDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000181271347 525830619 /nfs/dbraw/zinc/83/06/19/525830619.db2.gz SVUWNABIBMVMOZ-VGSQKHLPSA-N 0 3 368.433 1.863 20 10 FDCDHN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000183461100 535985079 /nfs/dbraw/zinc/98/50/79/535985079.db2.gz ORHMIJHXXZGGSJ-GFCCVEGCSA-N 0 3 365.411 1.930 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183846229 536056962 /nfs/dbraw/zinc/05/69/62/536056962.db2.gz ODGNOMFXOCUGQO-KRWDZBQOSA-N 0 3 361.486 1.844 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000190832023 537188052 /nfs/dbraw/zinc/18/80/52/537188052.db2.gz DPOJCYLBJULYTL-INIZCTEOSA-N 0 3 356.488 1.573 20 10 FDCDHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000272558764 537299341 /nfs/dbraw/zinc/29/93/41/537299341.db2.gz RWOXNZIWQIJUHF-UHFFFAOYSA-N 0 3 364.471 1.675 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(CC3CC3)CC1)cc2=O ZINC000298822271 537333970 /nfs/dbraw/zinc/33/39/70/537333970.db2.gz ZHFITWISZKXIPO-UHFFFAOYSA-N 0 3 359.430 1.139 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000299062794 537426532 /nfs/dbraw/zinc/42/65/32/537426532.db2.gz BEZJAJDOIZMAMO-UHFFFAOYSA-N 0 3 355.460 1.370 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000273389148 537443968 /nfs/dbraw/zinc/44/39/68/537443968.db2.gz KHQSZCJAASOVTI-GFCCVEGCSA-N 0 3 357.410 1.467 20 10 FDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000273389148 537443970 /nfs/dbraw/zinc/44/39/70/537443970.db2.gz KHQSZCJAASOVTI-GFCCVEGCSA-N 0 3 357.410 1.467 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1 ZINC000296517545 537714923 /nfs/dbraw/zinc/71/49/23/537714923.db2.gz ZWDQUYZDLVUSFB-MISYRCLQSA-N 0 3 373.497 1.747 20 10 FDCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000285513256 537723986 /nfs/dbraw/zinc/72/39/86/537723986.db2.gz NQJGHMYVTHCXJH-ZFWWWQNUSA-N 0 3 356.488 1.989 20 10 FDCDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000285584756 537733496 /nfs/dbraw/zinc/73/34/96/537733496.db2.gz UGTSIZNPRCTQEK-AAEUAGOBSA-N 0 3 356.444 1.319 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000366479489 537769357 /nfs/dbraw/zinc/76/93/57/537769357.db2.gz GXHGXLGOUJSRAC-GHMZBOCLSA-N 0 3 369.215 1.258 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000580972099 551039047 /nfs/dbraw/zinc/03/90/47/551039047.db2.gz KLWVXDKEJZSCIJ-OAHLLOKOSA-N 0 3 356.470 1.656 20 10 FDCDHN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCCN1CCCC1 ZINC000632051074 558091590 /nfs/dbraw/zinc/09/15/90/558091590.db2.gz BADIDORMOTWHEZ-UHFFFAOYSA-N 0 3 353.488 1.767 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000273490313 674542524 /nfs/dbraw/zinc/54/25/24/674542524.db2.gz OBLZLUPWRGUGCO-ZFWWWQNUSA-N 0 3 372.487 1.540 20 10 FDCDHN CCN(CC)c1ccc(CN(C)C[C@H](O)CN2CCOCC2)cc1F ZINC000093583388 671522256 /nfs/dbraw/zinc/52/22/56/671522256.db2.gz RBDNHUUEWCEEBX-KRWDZBQOSA-N 0 3 353.482 1.797 20 10 FDCDHN CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000138279417 671846809 /nfs/dbraw/zinc/84/68/09/671846809.db2.gz UJLVZWAPVFMMRD-CQSZACIVSA-N 0 3 350.440 1.678 20 10 FDCDHN CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000138279417 671846814 /nfs/dbraw/zinc/84/68/14/671846814.db2.gz UJLVZWAPVFMMRD-CQSZACIVSA-N 0 3 350.440 1.678 20 10 FDCDHN COc1c(O)c(CN2CCC[C@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000294902487 676398468 /nfs/dbraw/zinc/39/84/68/676398468.db2.gz XILBKYWULIKDQK-LBPRGKRZSA-N 0 3 353.375 1.972 20 10 FDCDHN C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299106380 676517456 /nfs/dbraw/zinc/51/74/56/676517456.db2.gz VSDMLAHTKCQIJE-GFCCVEGCSA-N 0 3 355.460 1.368 20 10 FDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200803 677551821 /nfs/dbraw/zinc/55/18/21/677551821.db2.gz CZKTUUPLVBXGJV-RDJZCZTQSA-N 0 3 368.499 1.970 20 10 FDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200803 677551823 /nfs/dbraw/zinc/55/18/23/677551823.db2.gz CZKTUUPLVBXGJV-RDJZCZTQSA-N 0 3 368.499 1.970 20 10 FDCDHN COC(=O)c1ccn(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891243490 774057832 /nfs/dbraw/zinc/05/78/32/774057832.db2.gz ORPKGXBITRHCNE-QGZVFWFLSA-N 0 3 373.457 1.155 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3nncn3C2)N(C)C)cc1 ZINC000891247387 774094327 /nfs/dbraw/zinc/09/43/27/774094327.db2.gz JTGKEPUFUXDBPU-DOTOQJQBSA-N 0 3 356.474 1.326 20 10 FDCDHN COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000891248462 774097096 /nfs/dbraw/zinc/09/70/96/774097096.db2.gz MYFZZLURIFKMJL-GOSISDBHSA-N 0 3 372.469 1.910 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)N(C)C)cc1 ZINC000891250194 774121806 /nfs/dbraw/zinc/12/18/06/774121806.db2.gz VGUYYDCOOACOPE-RDJZCZTQSA-N 0 3 371.489 1.111 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc3nnnn3c2)N(C)C)cc1 ZINC000891251931 774124232 /nfs/dbraw/zinc/12/42/32/774124232.db2.gz IFDAPHOYLLIHTF-INIZCTEOSA-N 0 3 353.430 1.223 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(N)=O)c2)N(C)C)cc1 ZINC000891252163 774126144 /nfs/dbraw/zinc/12/61/44/774126144.db2.gz HNVXAGGZJZWFMX-SFHVURJKSA-N 0 3 354.454 1.884 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)N(C)C)cc1 ZINC000891251520 774133783 /nfs/dbraw/zinc/13/37/83/774133783.db2.gz FURXYAJFOAFEHN-DNVCBOLYSA-N 0 3 355.486 2.000 20 10 FDCDHN COc1ncnc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252419 774136256 /nfs/dbraw/zinc/13/62/56/774136256.db2.gz KUZJPFAXSDLVJI-OAHLLOKOSA-N 0 3 373.457 1.593 20 10 FDCDHN COC(=O)NCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252743 774136731 /nfs/dbraw/zinc/13/67/31/774136731.db2.gz NKBBOYAISIWEJX-MRXNPFEDSA-N 0 3 350.463 1.608 20 10 FDCDHN Cc1nn(C)c(=O)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891252346 774141458 /nfs/dbraw/zinc/14/14/58/774141458.db2.gz JOPMSSSXNJPIBG-KRWDZBQOSA-N 0 3 371.485 1.496 20 10 FDCDHN COC(=O)N(C)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254506 774146485 /nfs/dbraw/zinc/14/64/85/774146485.db2.gz YNZCFOHCYJPBGO-KRWDZBQOSA-N 0 3 364.490 1.950 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000891254997 774152450 /nfs/dbraw/zinc/15/24/50/774152450.db2.gz MDDFHRIUUKNLHN-OAHLLOKOSA-N 0 3 360.418 1.276 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000891256011 774160574 /nfs/dbraw/zinc/16/05/74/774160574.db2.gz VLZOMIRWKHKOOX-MAUKXSAKSA-N 0 3 358.486 1.482 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000891256013 774160956 /nfs/dbraw/zinc/16/09/56/774160956.db2.gz VLZOMIRWKHKOOX-YJBOKZPZSA-N 0 3 358.486 1.482 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCN2C(=O)CCC2=O)N(C)C)cc1 ZINC000891255737 774170748 /nfs/dbraw/zinc/17/07/48/774170748.db2.gz ROYPNCCJACHFKY-QGZVFWFLSA-N 0 3 374.485 1.401 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCNC(=O)C2CC2)N(C)C)cc1 ZINC000891552351 778286773 /nfs/dbraw/zinc/28/67/73/778286773.db2.gz DXSSBZFNYLDNFL-KRWDZBQOSA-N 0 3 361.490 1.181 20 10 FDCDHN COc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c(O)c1OC ZINC000891648106 778786080 /nfs/dbraw/zinc/78/60/80/778786080.db2.gz KHPPPKRLKBZFBF-AWEZNQCLSA-N 0 3 372.487 1.703 20 10 FDCDHN COc1ccc(N2CCCN(CCCS(=O)(=O)N(C)C)CC2)cc1 ZINC000728688816 791223732 /nfs/dbraw/zinc/22/37/32/791223732.db2.gz ZKXKSABPQULAHI-UHFFFAOYSA-N 0 3 355.504 1.489 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000363918149 794559980 /nfs/dbraw/zinc/55/99/80/794559980.db2.gz ICLVFWMWOWCETL-QGZVFWFLSA-N 0 3 371.441 1.348 20 10 FDCDHN O=C(NCCCSc1nccs1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893646819 808586869 /nfs/dbraw/zinc/58/68/69/808586869.db2.gz WFPQPPCLJOTPKM-UONOGXRCSA-N 0 3 370.544 1.866 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCc3n[nH]cc3C2)N(C)C)cc1 ZINC000893717657 809396122 /nfs/dbraw/zinc/39/61/22/809396122.db2.gz WJFVHYPFJJFMER-LPHOPBHVSA-N 0 3 370.501 1.935 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCNC2=O)N(C)C)cc1 ZINC000895329015 822488482 /nfs/dbraw/zinc/48/84/82/822488482.db2.gz OTQRGSGKOOEBJZ-WBVHZDCISA-N 0 3 361.490 1.181 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCNC2=O)N(C)C)cc1 ZINC000895329013 822488671 /nfs/dbraw/zinc/48/86/71/822488671.db2.gz OTQRGSGKOOEBJZ-RDJZCZTQSA-N 0 3 361.490 1.181 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2CC(CC(N)=O)C2)N(C)C)cc1 ZINC000896607265 824715759 /nfs/dbraw/zinc/71/57/59/824715759.db2.gz CYAGFJSZGHOGBQ-PUJMQQBBSA-N 0 3 361.490 1.309 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c1[O-] ZINC000898331660 840971530 /nfs/dbraw/zinc/97/15/30/840971530.db2.gz FKBWQACBQYQRKG-UHFFFAOYSA-N 0 3 368.231 1.905 20 10 FDCDHN CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H](N)c3ccccc3)ccc21 ZINC000842149776 845003563 /nfs/dbraw/zinc/00/35/63/845003563.db2.gz FEKZVOFWMJUUTG-GOSISDBHSA-N 0 3 366.465 1.501 20 10 FDCDHN CC(C)NC(=O)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098002 845759771 /nfs/dbraw/zinc/75/97/71/845759771.db2.gz KDUUGZRWLGMBKD-RHSMWYFYSA-N 0 3 363.506 1.568 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H](O)C(F)F)N(C)C)cc1 ZINC000899097591 845759994 /nfs/dbraw/zinc/75/99/94/845759994.db2.gz BZNRDQSQRMMQEB-CABCVRRESA-N 0 3 358.433 1.671 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H](O)CC(F)(F)C2)N(C)C)cc1 ZINC000899103535 845776737 /nfs/dbraw/zinc/77/67/37/845776737.db2.gz MPPAMHDHIPCHQG-HOTGVXAUSA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@]3(CNC(=O)C3)C2)N(C)C)cc1 ZINC000899104185 845777549 /nfs/dbraw/zinc/77/75/49/845777549.db2.gz QMCOQLKUAJTUMR-YLJYHZDGSA-N 0 3 373.501 1.277 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@H]2COCCO2)N(C)C)cc1 ZINC000899099037 845792570 /nfs/dbraw/zinc/79/25/70/845792570.db2.gz UVROOOVYOJCMSX-ROUUACIJSA-N 0 3 364.490 1.412 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2Cc3cncn3C2)N(C)C)cc1 ZINC000899099152 845793727 /nfs/dbraw/zinc/79/37/27/845793727.db2.gz WELLVSNOXXWDMY-MAUKXSAKSA-N 0 3 356.474 1.476 20 10 FDCDHN COC(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100789 845797847 /nfs/dbraw/zinc/79/78/47/845797847.db2.gz DDRDKAQJWAKWAT-WBVHZDCISA-N 0 3 362.474 1.560 20 10 FDCDHN O[C@@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)CCCC1 ZINC000905144822 851702257 /nfs/dbraw/zinc/70/22/57/851702257.db2.gz KJLVBSVZCRAZSB-SFHVURJKSA-N 0 3 352.450 1.542 20 10 FDCDHN C[C@@](O)(CNCc1ccc(N2CCC(C(N)=O)CC2)cc1)C(F)(F)F ZINC000905483467 851955505 /nfs/dbraw/zinc/95/55/05/851955505.db2.gz YVWMNQLPNGELAX-MRXNPFEDSA-N 0 3 359.392 1.791 20 10 FDCDHN CN(CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCOCC2)cc1 ZINC000760809818 863277490 /nfs/dbraw/zinc/27/74/90/863277490.db2.gz RGJYHPLLDOMZDH-QGZVFWFLSA-N 0 3 352.500 1.780 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)NC[C@H]3CCN3C)cc2F)CC1 ZINC000917233941 883252937 /nfs/dbraw/zinc/25/29/37/883252937.db2.gz ZGAMRDLDCUERTH-MRXNPFEDSA-N 0 3 363.481 1.471 20 10 FDCDHN O=C(CN1CCCC1)NCc1cc(NC(=O)CN2CCCC2)ccc1O ZINC000923121560 888060836 /nfs/dbraw/zinc/06/08/36/888060836.db2.gz GPKDWPKYQJLOHN-UHFFFAOYSA-N 0 3 360.458 1.139 20 10 FDCDHN CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000183337834 895328847 /nfs/dbraw/zinc/32/88/47/895328847.db2.gz AGAACPPUSNQYLV-QGZVFWFLSA-N 0 3 369.469 1.962 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000785433737 907205774 /nfs/dbraw/zinc/20/57/74/907205774.db2.gz PCNKYUYJLDBKOK-UHFFFAOYSA-N 0 3 360.502 1.702 20 10 FDCDHN CCOc1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c([O-])c1 ZINC000732233197 919285176 /nfs/dbraw/zinc/28/51/76/919285176.db2.gz XMNMUFCSSPKISD-MRXNPFEDSA-N 0 3 372.487 1.369 20 10 FDCDHN COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOC1 ZINC000766459716 928051749 /nfs/dbraw/zinc/05/17/49/928051749.db2.gz ZXVXHRAQENNUAL-OAHLLOKOSA-N 0 3 374.231 1.975 20 10 FDCDHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000770361037 929972919 /nfs/dbraw/zinc/97/29/19/929972919.db2.gz SIPBKYYVZJNMHB-UHFFFAOYSA-N 0 3 350.415 1.292 20 10 FDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000804425141 938429352 /nfs/dbraw/zinc/42/93/52/938429352.db2.gz SMYLQJMVPZAOBI-QAPCUYQASA-N 0 3 360.502 1.920 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000807670145 940439773 /nfs/dbraw/zinc/43/97/73/940439773.db2.gz BIILYJIXUCCLJR-QAPCUYQASA-N 0 3 358.486 1.627 20 10 FDCDHN CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000807678554 940454077 /nfs/dbraw/zinc/45/40/77/940454077.db2.gz YDWKPTXYDNTSBQ-MRXNPFEDSA-N 0 3 360.502 1.873 20 10 FDCDHN CN(C)c1ccc(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1F ZINC000808424544 940544725 /nfs/dbraw/zinc/54/47/25/940544725.db2.gz KQZPDOHBUPTKGT-CQSZACIVSA-N 0 3 358.483 1.252 20 10 FDCDHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000824083744 946211449 /nfs/dbraw/zinc/21/14/49/946211449.db2.gz BXBGTPHZNDVFCC-KGLIPLIRSA-N 0 3 355.460 1.222 20 10 FDCDHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000824083745 946212148 /nfs/dbraw/zinc/21/21/48/946212148.db2.gz BXBGTPHZNDVFCC-UONOGXRCSA-N 0 3 355.460 1.222 20 10 FDCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499792 949696942 /nfs/dbraw/zinc/69/69/42/949696942.db2.gz JGACAJRIUYGDNH-JQWIXIFHSA-N 0 3 354.403 1.263 20 10 FDCDHN CN(C)CCN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000846939534 951705940 /nfs/dbraw/zinc/70/59/40/951705940.db2.gz FRFUVUZXMXJZBZ-UHFFFAOYSA-N 0 3 369.513 1.828 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C)(COC)CC1)cc2=O ZINC000773727582 964148161 /nfs/dbraw/zinc/14/81/61/964148161.db2.gz QXIOGMSKURPPAI-UHFFFAOYSA-N 0 3 362.430 1.860 20 10 FDCDHN Cc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c(C)n1-c1ccccn1 ZINC000855694909 970618599 /nfs/dbraw/zinc/61/85/99/970618599.db2.gz CWGIJNPWDLBYNM-UHFFFAOYSA-N 0 3 371.485 1.581 20 10 FDCDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000794806992 973996324 /nfs/dbraw/zinc/99/63/24/973996324.db2.gz JCUCKEHKGIAXMU-SFHVURJKSA-N 0 3 374.510 1.822 20 10 FDCDHN C[C@H](NC1CN(c2ccncn2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866493922 975721055 /nfs/dbraw/zinc/72/10/55/975721055.db2.gz CSGGURXWTBXFPV-AWEZNQCLSA-N 0 3 357.433 1.992 20 10 FDCDHN [NH2+]=C(NCCCN1CCOCC1)NCc1cc(Br)ccc1[O-] ZINC000849052179 977294868 /nfs/dbraw/zinc/29/48/68/977294868.db2.gz QVLAHFHOPNOCCK-UHFFFAOYSA-N 0 3 371.279 1.491 20 10 FDCDHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299512 977469044 /nfs/dbraw/zinc/46/90/44/977469044.db2.gz GGDDYFAEBYWFAO-UHFFFAOYSA-N 0 3 353.378 1.355 20 10 FDCDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000850586462 978448171 /nfs/dbraw/zinc/44/81/71/978448171.db2.gz UWOUVLJUIQACEV-AWEZNQCLSA-N 0 3 365.415 1.034 20 10 FDCDHN CCCCN(Cc1ccccc1O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000851679140 978994669 /nfs/dbraw/zinc/99/46/69/978994669.db2.gz VVWNLBWVMXJTQK-UHFFFAOYSA-N 0 3 359.430 1.858 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]([C@H]3CCCO3)C1)cc2=O ZINC000886825265 986615841 /nfs/dbraw/zinc/61/58/41/986615841.db2.gz PMAAEMBDFMHCSN-IUODEOHRSA-N 0 3 360.414 1.613 20 10 FDCDHN CN1CC[C@@](O)(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888587327 987251367 /nfs/dbraw/zinc/25/13/67/987251367.db2.gz FVTKZNBLJSDNIV-LJQANCHMSA-N 0 3 366.425 1.584 20 10 FDCDHN CC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(=O)N1CCOCC1 ZINC000873072775 988508482 /nfs/dbraw/zinc/50/84/82/988508482.db2.gz AGBQPMWPTPPRHQ-GOSISDBHSA-N 0 3 372.469 1.667 20 10 FDCDHN O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000295366985 988674953 /nfs/dbraw/zinc/67/49/53/988674953.db2.gz WKJDGOQXSAXEMX-UHFFFAOYSA-N 0 3 374.416 1.574 20 10 FDCDHN COC(=O)CC1(NCC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000298658652 990219158 /nfs/dbraw/zinc/21/91/58/990219158.db2.gz QUIAUNDVGBIJCX-UHFFFAOYSA-N 0 3 363.458 1.071 20 10 FDCDHN CN(C)c1ccc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374323326 992771610 /nfs/dbraw/zinc/77/16/10/992771610.db2.gz HKVAEWHVDXAKHO-SFHVURJKSA-N 0 3 357.414 1.617 20 10 FDCDHN C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1[O-] ZINC000879647439 995135210 /nfs/dbraw/zinc/13/52/10/995135210.db2.gz CHMAFSYJAQMRPP-CQSZACIVSA-N 0 3 357.410 1.620 20 10 FDCDHN CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879651717 995136944 /nfs/dbraw/zinc/13/69/44/995136944.db2.gz IODLFFMVRJMMSZ-KKUMJFAQSA-N 0 3 368.499 1.857 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H](CO)CN1CCCCC1 ZINC000288145933 999990813 /nfs/dbraw/zinc/99/08/13/999990813.db2.gz BSBSFTOBUHPONC-MBNRZODZSA-N 0 3 373.497 1.499 20 10 FDCDHN CN(C)c1ccc(CN2CCC(C(=O)N3CCN(C)CC3)CC2)cc1F ZINC000289675857 1000112575 /nfs/dbraw/zinc/11/25/75/1000112575.db2.gz DQQSKRVGNLKVFI-UHFFFAOYSA-N 0 3 362.493 1.878 20 10 FDCDHN COc1cncnc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931443625 1004167744 /nfs/dbraw/zinc/16/77/44/1004167744.db2.gz XRLIOAOSHFMFSL-HNNXBMFYSA-N 0 3 358.446 1.976 20 10 FDCDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000271226964 674325177 /nfs/dbraw/zinc/32/51/77/674325177.db2.gz CHSQUKAFIYJVOX-SWLSCSKDSA-N 0 3 367.471 1.320 20 10 FDCDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000271226964 674325179 /nfs/dbraw/zinc/32/51/79/674325179.db2.gz CHSQUKAFIYJVOX-SWLSCSKDSA-N 0 3 367.471 1.320 20 10 FDCDHN COc1cccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1O ZINC000074657265 522812651 /nfs/dbraw/zinc/81/26/51/522812651.db2.gz TXWBYCDZECPATL-AWEZNQCLSA-N 0 3 350.463 1.084 20 10 FDCDHN CCN1CCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000174109424 524515390 /nfs/dbraw/zinc/51/53/90/524515390.db2.gz XXHRXUDZDPVDOU-INIZCTEOSA-N 0 3 364.465 1.946 20 10 FDCDHN CCN1CCN(c2ccc(CN[C@@H]3CCCS(=O)(=O)C3)cc2F)CC1 ZINC000182884966 535880249 /nfs/dbraw/zinc/88/02/49/535880249.db2.gz AZFVLOSKUVOMIV-MRXNPFEDSA-N 0 3 369.506 1.634 20 10 FDCDHN COc1cc(Cl)cc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1O ZINC000184701046 536177135 /nfs/dbraw/zinc/17/71/35/536177135.db2.gz OUIOFIDLEUDVOG-OAHLLOKOSA-N 0 3 367.877 1.793 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000190837136 537188755 /nfs/dbraw/zinc/18/87/55/537188755.db2.gz XXHGHALCQJFOAF-INIZCTEOSA-N 0 3 356.488 1.573 20 10 FDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CCN3CCOCC3)C2=O)c([O-])c1 ZINC000363860026 537346121 /nfs/dbraw/zinc/34/61/21/537346121.db2.gz TXCJAHZLSIDESS-WMZOPIPTSA-N 0 3 361.486 1.674 20 10 FDCDHN CCN(CCC[NH+]1CCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000276511092 537562649 /nfs/dbraw/zinc/56/26/49/537562649.db2.gz WHYKBMPXTFPILQ-UHFFFAOYSA-N 0 3 369.487 1.712 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H](N)CC(C)C)cc2F)CC1 ZINC000236895814 537602518 /nfs/dbraw/zinc/60/25/18/537602518.db2.gz BNDOHXCYRRDNKE-KRWDZBQOSA-N 0 3 350.482 1.957 20 10 FDCDHN Cc1cccc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000295009927 537709976 /nfs/dbraw/zinc/70/99/76/537709976.db2.gz JIBXSZHHNVJART-UHFFFAOYSA-N 0 3 363.483 1.916 20 10 FDCDHN Cc1cccc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000295009927 537709978 /nfs/dbraw/zinc/70/99/78/537709978.db2.gz JIBXSZHHNVJART-UHFFFAOYSA-N 0 3 363.483 1.916 20 10 FDCDHN C[C@H](N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000295239607 537711866 /nfs/dbraw/zinc/71/18/66/537711866.db2.gz XXZGNOFPYKVSSD-AWEZNQCLSA-N 0 3 367.465 1.370 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)CCN(C)C2CC2)cc1F ZINC000285685770 537745923 /nfs/dbraw/zinc/74/59/23/537745923.db2.gz JYWHZCZEOMRACR-UHFFFAOYSA-N 0 3 350.438 1.061 20 10 FDCDHN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000368037349 537973749 /nfs/dbraw/zinc/97/37/49/537973749.db2.gz JHRNJYRNOYSVCJ-DVJJNNKXSA-N 0 3 359.470 1.595 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000576780486 550585174 /nfs/dbraw/zinc/58/51/74/550585174.db2.gz ZSKQLRGOCVGWOU-ACJLOTCBSA-N 0 3 356.470 1.511 20 10 FDCDHN CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296331482 676417681 /nfs/dbraw/zinc/41/76/81/676417681.db2.gz HIIXNSVZFKTTGP-UKRRQHHQSA-N 0 3 373.494 1.641 20 10 FDCDHN NC(=O)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC000375399599 678101089 /nfs/dbraw/zinc/10/10/89/678101089.db2.gz JJNXSYQRTCHKKM-HUUCEWRRSA-N 0 3 357.376 1.619 20 10 FDCDHN CO[C@@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCSC1 ZINC000891242345 774038426 /nfs/dbraw/zinc/03/84/26/774038426.db2.gz FCMHJOGBCYVNHR-WMZOPIPTSA-N 0 3 351.516 1.994 20 10 FDCDHN C/C(=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CN1CCOCC1 ZINC000891245592 774080386 /nfs/dbraw/zinc/08/03/86/774080386.db2.gz HHWVHIJZBYVWNI-QMEWPPBRSA-N 0 3 374.529 1.750 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc3nccn3c2)N(C)C)cc1 ZINC000891245738 774081552 /nfs/dbraw/zinc/08/15/52/774081552.db2.gz IMJAMTFEDBKBBX-QGZVFWFLSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3nccn3C2)N(C)C)cc1 ZINC000891248376 774097589 /nfs/dbraw/zinc/09/75/89/774097589.db2.gz LZFWEYXGABUIQE-FUHWJXTLSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)N(C)C)cc1 ZINC000891247891 774098775 /nfs/dbraw/zinc/09/87/75/774098775.db2.gz LFBMYUKGRGDJFE-INIZCTEOSA-N 0 3 368.441 1.762 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)N(C)C)cc1 ZINC000891248009 774100023 /nfs/dbraw/zinc/10/00/23/774100023.db2.gz JVBZFIMYOQEYEI-RYRKJORJSA-N 0 3 360.502 1.763 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@]2(C)CCC(=O)N2)N(C)C)cc1 ZINC000891249403 774107348 /nfs/dbraw/zinc/10/73/48/774107348.db2.gz SNVOBGXMXSURSZ-YLJYHZDGSA-N 0 3 360.502 1.920 20 10 FDCDHN CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891251096 774128701 /nfs/dbraw/zinc/12/87/01/774128701.db2.gz DRZUYRSMTZHHKV-SJLPKXTDSA-N 0 3 360.502 1.730 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000891251291 774129398 /nfs/dbraw/zinc/12/93/98/774129398.db2.gz BPVCAYFFKFGUSG-KRWDZBQOSA-N 0 3 374.445 1.667 20 10 FDCDHN CNC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891252355 774141415 /nfs/dbraw/zinc/14/14/15/774141415.db2.gz JUBGJPPPUUFJEB-SFHVURJKSA-N 0 3 369.469 1.540 20 10 FDCDHN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254977 774152236 /nfs/dbraw/zinc/15/22/36/774152236.db2.gz LNMKAQQXAHQNKQ-IAGOWNOFSA-N 0 3 364.515 1.393 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(C(N)=O)cs2)N(C)C)cc1 ZINC000891254767 774159091 /nfs/dbraw/zinc/15/90/91/774159091.db2.gz JDDUIPZHBAMPQO-HNNXBMFYSA-N 0 3 360.483 1.946 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CN2CCSC2=O)N(C)C)cc1 ZINC000891256547 774164484 /nfs/dbraw/zinc/16/44/84/774164484.db2.gz ZMEWKXOIXVENMP-OAHLLOKOSA-N 0 3 350.488 1.640 20 10 FDCDHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)CC2 ZINC000662627290 806891782 /nfs/dbraw/zinc/89/17/82/806891782.db2.gz PTUIFFAWIHUNDC-UHFFFAOYSA-N 0 3 371.462 1.443 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)N(C)C)cc1 ZINC000893717660 809396233 /nfs/dbraw/zinc/39/62/33/809396233.db2.gz WJFVHYPFJJFMER-VQIMIIECSA-N 0 3 370.501 1.935 20 10 FDCDHN COC(=O)N1CC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000893761445 809708266 /nfs/dbraw/zinc/70/82/66/809708266.db2.gz FAKBXINEUDJTRB-INIZCTEOSA-N 0 3 363.462 1.105 20 10 FDCDHN COCC[C@](C)(O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894259494 814184143 /nfs/dbraw/zinc/18/41/43/814184143.db2.gz VBOQSMANDLGLOE-SFHVURJKSA-N 0 3 352.406 1.981 20 10 FDCDHN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000895123488 820605181 /nfs/dbraw/zinc/60/51/81/820605181.db2.gz VMTWRPXASMTMME-HNNXBMFYSA-N 0 3 362.348 1.910 20 10 FDCDHN CCOc1ccc(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000895207381 821863045 /nfs/dbraw/zinc/86/30/45/821863045.db2.gz KDFTVKLKMQZFKH-UHFFFAOYSA-N 0 3 352.431 1.862 20 10 FDCDHN CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCN(C)C1 ZINC000895880128 822778037 /nfs/dbraw/zinc/77/80/37/822778037.db2.gz WUKTUVRZHBGYOT-SFHVURJKSA-N 0 3 360.502 1.883 20 10 FDCDHN CCn1nncc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895938865 823793796 /nfs/dbraw/zinc/79/37/96/823793796.db2.gz GBXVVHXFRLRZRI-KRWDZBQOSA-N 0 3 359.478 1.466 20 10 FDCDHN COc1cc([O-])c(CN2CC[C@@](C)([NH3+])C2)cc1I ZINC001204809534 829943643 /nfs/dbraw/zinc/94/36/43/829943643.db2.gz JDTDNLWTELBVPO-CYBMUJFWSA-N 0 3 362.211 1.929 20 10 FDCDHN CCC(=O)N1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899097047 845758863 /nfs/dbraw/zinc/75/88/63/845758863.db2.gz YXWOIQKAAMXSDJ-QGZVFWFLSA-N 0 3 361.490 1.577 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCCN(C=O)CC2)N(C)C)cc1 ZINC000899098995 845792594 /nfs/dbraw/zinc/79/25/94/845792594.db2.gz UJLBBVFRAVVVKV-GOSISDBHSA-N 0 3 361.490 1.229 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=S)NC[C@H]2CCCO2)N(C)C)cc1 ZINC000899724102 846625640 /nfs/dbraw/zinc/62/56/40/846625640.db2.gz JYMFCTVZNCVROQ-SJORKVTESA-N 0 3 350.532 1.998 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cc1F ZINC000911115962 858211927 /nfs/dbraw/zinc/21/19/27/858211927.db2.gz VUBHHMHPHPRNLN-SJLPKXTDSA-N 0 3 370.428 1.249 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cc1 ZINC000911517273 858727450 /nfs/dbraw/zinc/72/74/50/858727450.db2.gz RAIRWCDULSDCMW-RTBURBONSA-N 0 3 366.465 1.452 20 10 FDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1C ZINC000914242492 871993565 /nfs/dbraw/zinc/99/35/65/871993565.db2.gz LRYFRGCSCAMQAM-DYVFJYSZSA-N 0 3 364.465 1.679 20 10 FDCDHN COc1ccc(-n2c(C)cc(C(=O)NC[C@@]3(O)CCN(C)C3)c2C)cc1 ZINC000762720037 876463381 /nfs/dbraw/zinc/46/33/81/876463381.db2.gz UFYUAIWSNFRAEF-FQEVSTJZSA-N 0 3 357.454 1.899 20 10 FDCDHN C[C@@H]1[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1C ZINC000922824821 879382825 /nfs/dbraw/zinc/38/28/25/879382825.db2.gz VEGDXPWMXKXNFV-MLGOLLRUSA-N 0 3 368.428 1.693 20 10 FDCDHN CN1CCC[C@H]1C(=O)NCc1cc(NC(=O)[C@@H]2CCCN2C)ccc1O ZINC000923119192 888083202 /nfs/dbraw/zinc/08/32/02/888083202.db2.gz ZNGRXSZYGDPADV-HOTGVXAUSA-N 0 3 360.458 1.135 20 10 FDCDHN O=S(=O)(Cc1ccon1)NCCNCc1ccc2c(c1)CCCO2 ZINC000921817538 898821322 /nfs/dbraw/zinc/82/13/22/898821322.db2.gz YCTSWZRMLYJTIC-UHFFFAOYSA-N 0 3 351.428 1.209 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000785428825 904321381 /nfs/dbraw/zinc/32/13/81/904321381.db2.gz SUAMMYFZINKIOU-IBGZPJMESA-N 0 3 372.513 1.846 20 10 FDCDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N(C)C ZINC000730278364 916503231 /nfs/dbraw/zinc/50/32/31/916503231.db2.gz KRHIXCAZYMEGHC-QGZVFWFLSA-N 0 3 367.515 1.124 20 10 FDCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)NCC(=O)N1CCCC1 ZINC000731845928 918674881 /nfs/dbraw/zinc/67/48/81/918674881.db2.gz NVBYKQKFPPUUSE-UHFFFAOYSA-N 0 3 359.470 1.875 20 10 FDCDHN C[N@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000808243249 940534419 /nfs/dbraw/zinc/53/44/19/940534419.db2.gz BVCZDVKGCHQKQI-CQSZACIVSA-N 0 3 368.231 1.909 20 10 FDCDHN C[N@@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000808243249 940534420 /nfs/dbraw/zinc/53/44/20/940534420.db2.gz BVCZDVKGCHQKQI-CQSZACIVSA-N 0 3 368.231 1.909 20 10 FDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000747581470 940926307 /nfs/dbraw/zinc/92/63/07/940926307.db2.gz PJIFWPKXBUQGFL-INIZCTEOSA-N 0 3 361.490 1.091 20 10 FDCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000817834167 942996341 /nfs/dbraw/zinc/99/63/41/942996341.db2.gz YMXSWAJWJYIEMU-YJBOKZPZSA-N 0 3 360.502 1.871 20 10 FDCDHN C[C@H](CS(C)(=O)=O)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000775696477 971546118 /nfs/dbraw/zinc/54/61/18/971546118.db2.gz MHMRDRUTBLDJFC-MRXNPFEDSA-N 0 3 365.543 1.836 20 10 FDCDHN CN(C)c1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000846032206 950383583 /nfs/dbraw/zinc/38/35/83/950383583.db2.gz BLDNVJUXHUHTGE-GFCCVEGCSA-N 0 3 365.421 1.895 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000846731365 951504138 /nfs/dbraw/zinc/50/41/38/951504138.db2.gz IIIZUXLDWHBELZ-UHFFFAOYSA-N 0 3 360.502 1.622 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC000852668721 967519827 /nfs/dbraw/zinc/51/98/27/967519827.db2.gz GFQIPBTXIRHITH-SJORKVTESA-N 0 3 359.470 1.312 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CCc3cn[nH]n3)cc2F)CC1 ZINC000865201351 974180869 /nfs/dbraw/zinc/18/08/69/974180869.db2.gz DNXUVYNXCOWLJX-UHFFFAOYSA-N 0 3 360.437 1.335 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CCc3c[nH]nn3)cc2F)CC1 ZINC000865201351 974180877 /nfs/dbraw/zinc/18/08/77/974180877.db2.gz DNXUVYNXCOWLJX-UHFFFAOYSA-N 0 3 360.437 1.335 20 10 FDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000865684875 974420790 /nfs/dbraw/zinc/42/07/90/974420790.db2.gz MLDUTMRXJUOIME-RYUDHWBXSA-N 0 3 366.458 1.854 20 10 FDCDHN CN(C)c1ccc(CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C2CC2)cc1 ZINC000851681423 978995627 /nfs/dbraw/zinc/99/56/27/978995627.db2.gz OYEFNXVACGMEIJ-UHFFFAOYSA-N 0 3 370.457 1.581 20 10 FDCDHN CC[C@H](N)c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881022454 979589779 /nfs/dbraw/zinc/58/97/79/979589779.db2.gz AIBWULOMNWBDCY-INIZCTEOSA-N 0 3 358.446 1.045 20 10 FDCDHN CN1CCN(c2ccc(CNc3cc(N4CCOCC4)ncn3)cc2)CC1 ZINC000882880579 981770244 /nfs/dbraw/zinc/77/02/44/981770244.db2.gz ZBRBNBWIXSYMGZ-UHFFFAOYSA-N 0 3 368.485 1.677 20 10 FDCDHN CN(C)c1cc(F)c(CNC[C@]2(CO)COCC3(CCC3)N2C)cc1F ZINC000858224179 981926288 /nfs/dbraw/zinc/92/62/88/981926288.db2.gz XWXXTDUNLTZGMX-IBGZPJMESA-N 0 3 369.456 1.736 20 10 FDCDHN COc1cc(Br)cc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000858281835 981959756 /nfs/dbraw/zinc/95/97/56/981959756.db2.gz NVXPSEQFMDXFIF-LDYMZIIASA-N 0 3 364.261 1.829 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4[nH]cnc4C3)cc2)CC1 ZINC000883702474 982395948 /nfs/dbraw/zinc/39/59/48/982395948.db2.gz NDACMMPMZJZYHX-MRXNPFEDSA-N 0 3 368.485 1.518 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4nc[nH]c4C3)cc2)CC1 ZINC000883702474 982395958 /nfs/dbraw/zinc/39/59/58/982395958.db2.gz NDACMMPMZJZYHX-MRXNPFEDSA-N 0 3 368.485 1.518 20 10 FDCDHN C[NH+](C)C1(C)CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000871361765 986920604 /nfs/dbraw/zinc/92/06/04/986920604.db2.gz PTKNHCNHBDOVEC-UHFFFAOYSA-N 0 3 369.487 1.756 20 10 FDCDHN COc1ccc(N2CCN(C(=O)Nc3ccnn3CCN(C)C)CC2)cc1 ZINC000297527354 989557612 /nfs/dbraw/zinc/55/76/12/989557612.db2.gz VPCXUURIWAFMRY-UHFFFAOYSA-N 0 3 372.473 1.807 20 10 FDCDHN COc1c([O-])c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000364760365 989775125 /nfs/dbraw/zinc/77/51/25/989775125.db2.gz PTVXLBMAGCMAAX-SQWLQELKSA-N 0 3 365.430 1.993 20 10 FDCDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000876729204 992842605 /nfs/dbraw/zinc/84/26/05/992842605.db2.gz HHZGDVWDDVJZDC-QGZVFWFLSA-N 0 3 367.515 1.301 20 10 FDCDHN Cc1cccc(O)c1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000876756223 992878524 /nfs/dbraw/zinc/87/85/24/992878524.db2.gz RAQBQKMLVJBOQA-UHFFFAOYSA-N 0 3 369.469 1.649 20 10 FDCDHN C[C@@H](N[C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000374744018 992934366 /nfs/dbraw/zinc/93/43/66/992934366.db2.gz PLIMMYGYSDLHQE-XLIONFOSSA-N 0 3 374.529 1.726 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3nnc[nH]3)cc2F)CC1 ZINC000374744680 992934405 /nfs/dbraw/zinc/93/44/05/992934405.db2.gz SUOZQWKQSSXELC-HUUCEWRRSA-N 0 3 372.448 1.506 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3nc[nH]n3)cc2F)CC1 ZINC000374744680 992934406 /nfs/dbraw/zinc/93/44/06/992934406.db2.gz SUOZQWKQSSXELC-HUUCEWRRSA-N 0 3 372.448 1.506 20 10 FDCDHN CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879648983 995135422 /nfs/dbraw/zinc/13/54/22/995135422.db2.gz IODLFFMVRJMMSZ-ILXRZTDVSA-N 0 3 368.499 1.857 20 10 FDCDHN CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879651718 995137421 /nfs/dbraw/zinc/13/74/21/995137421.db2.gz IODLFFMVRJMMSZ-RRFJBIMHSA-N 0 3 368.499 1.857 20 10 FDCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000777564725 995663391 /nfs/dbraw/zinc/66/33/91/995663391.db2.gz BWZSMWHXGMXQAP-TVQRCGJNSA-N 0 3 360.332 1.318 20 10 FDCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000777564725 995663394 /nfs/dbraw/zinc/66/33/94/995663394.db2.gz BWZSMWHXGMXQAP-TVQRCGJNSA-N 0 3 360.332 1.318 20 10 FDCDHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000826531496 996838987 /nfs/dbraw/zinc/83/89/87/996838987.db2.gz MXFODLJVUOOQDC-CABCVRRESA-N 0 3 361.490 1.575 20 10 FDCDHN COc1cc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@H]2C)cc1OC ZINC000826677135 998813862 /nfs/dbraw/zinc/81/38/62/998813862.db2.gz IYTGTMXRDWFFCA-LLVKDONJSA-N 0 3 352.391 1.168 20 10 FDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288153811 999991142 /nfs/dbraw/zinc/99/11/42/999991142.db2.gz ZHKSSKRWMBZGSB-GOSISDBHSA-N 0 3 360.502 1.702 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC23CCC3)N(C)C)cc1 ZINC000931215573 1003966385 /nfs/dbraw/zinc/96/63/85/1003966385.db2.gz QPEIPVNIWUCHRD-DLBZAZTESA-N 0 3 358.486 1.530 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)Cc2ccoc2)N(C)C)cc1 ZINC000934313921 1005731631 /nfs/dbraw/zinc/73/16/31/1005731631.db2.gz NICRWVFZOBUQRO-GOSISDBHSA-N 0 3 372.469 1.723 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CC[C@H](C3CC3)C2)N(C)C)cc1 ZINC000934318768 1005731799 /nfs/dbraw/zinc/73/17/99/1005731799.db2.gz CSKAUNYXWJWRTG-PKOBYXMFSA-N 0 3 372.513 1.730 20 10 FDCDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093045590 1007510741 /nfs/dbraw/zinc/51/07/41/1007510741.db2.gz KSGXOWHTCKFBDB-UHFFFAOYSA-N 0 3 374.529 1.509 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000049992456 522876531 /nfs/dbraw/zinc/87/65/31/522876531.db2.gz CBOGRTZZICPALD-CYBMUJFWSA-N 0 3 353.444 1.074 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000049992456 522876537 /nfs/dbraw/zinc/87/65/37/522876537.db2.gz CBOGRTZZICPALD-CYBMUJFWSA-N 0 3 353.444 1.074 20 10 FDCDHN COCCN1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000080948277 523921098 /nfs/dbraw/zinc/92/10/98/523921098.db2.gz MPNBLSWWGHCIRA-FNORWQNLSA-N 0 3 363.414 1.940 20 10 FDCDHN C[NH+](C)C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1 ZINC000142530291 524351606 /nfs/dbraw/zinc/35/16/06/524351606.db2.gz ZHORGLXHQYPKOC-UHFFFAOYSA-N 0 3 369.487 1.758 20 10 FDCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000151276279 524548556 /nfs/dbraw/zinc/54/85/56/524548556.db2.gz ZDJQKIUJNGWSDY-UHFFFAOYSA-N 0 3 354.472 1.837 20 10 FDCDHN COc1ccc(N2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000179314432 525555988 /nfs/dbraw/zinc/55/59/88/525555988.db2.gz MLBFUHWZFMOMKJ-UHFFFAOYSA-N 0 3 372.425 1.977 20 10 FDCDHN C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000179894699 525643425 /nfs/dbraw/zinc/64/34/25/525643425.db2.gz GCJULWSSKCYFRJ-OAHLLOKOSA-N 0 3 355.442 1.572 20 10 FDCDHN O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000180774131 525754932 /nfs/dbraw/zinc/75/49/32/525754932.db2.gz OKMLGNUXHAVWJL-UHFFFAOYSA-N 0 3 372.462 1.594 20 10 FDCDHN COCCN1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000171194545 525891393 /nfs/dbraw/zinc/89/13/93/525891393.db2.gz BLJHNPLXHKMWJC-UHFFFAOYSA-N 0 3 360.502 1.979 20 10 FDCDHN COC[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000171997066 526202087 /nfs/dbraw/zinc/20/20/87/526202087.db2.gz JBZSTFDMUJXKAF-QGZVFWFLSA-N 0 3 361.486 1.702 20 10 FDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000185309482 536204908 /nfs/dbraw/zinc/20/49/08/536204908.db2.gz ABNOTLIHHBFLNB-MRXNPFEDSA-N 0 3 369.469 1.880 20 10 FDCDHN C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000185341096 536206078 /nfs/dbraw/zinc/20/60/78/536206078.db2.gz ZEJKBARYSYTTMK-LBPRGKRZSA-N 0 3 370.291 1.969 20 10 FDCDHN COc1cc(CNCc2cc3c(cc2O)OCO3)ccc1OCC(N)=O ZINC000263663185 537056554 /nfs/dbraw/zinc/05/65/54/537056554.db2.gz HTKNHDOMWMAIDS-UHFFFAOYSA-N 0 3 360.366 1.283 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@H]1CCCC[C@@H]1O)cc2=O ZINC000272574624 537301569 /nfs/dbraw/zinc/30/15/69/537301569.db2.gz RCHCNNLWGCQCLK-DOMZBBRYSA-N 0 3 362.430 1.595 20 10 FDCDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298893235 537357911 /nfs/dbraw/zinc/35/79/11/537357911.db2.gz AOGDNQHUUINHHV-INIZCTEOSA-N 0 3 374.529 1.900 20 10 FDCDHN CC(C)N1CCN([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000364940670 537402106 /nfs/dbraw/zinc/40/21/06/537402106.db2.gz MZQUDKJBGZOCAO-YXMMZVCTSA-N 0 3 359.470 1.738 20 10 FDCDHN CC(C)(C)[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000299062734 537425242 /nfs/dbraw/zinc/42/52/42/537425242.db2.gz BBAQOGCFSCIDPW-UHFFFAOYSA-N 0 3 369.487 1.756 20 10 FDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000299259955 537520161 /nfs/dbraw/zinc/52/01/61/537520161.db2.gz FEVKKKCPUMMIPQ-CHWSQXEVSA-N 0 3 350.415 1.484 20 10 FDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000299259955 537520168 /nfs/dbraw/zinc/52/01/68/537520168.db2.gz FEVKKKCPUMMIPQ-CHWSQXEVSA-N 0 3 350.415 1.484 20 10 FDCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000236951952 537604744 /nfs/dbraw/zinc/60/47/44/537604744.db2.gz HQBMAMQYIIPDDC-KDOFPFPSSA-N 0 3 350.482 1.957 20 10 FDCDHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285653260 537741925 /nfs/dbraw/zinc/74/19/25/537741925.db2.gz HABPMTVHBWQCRH-UHFFFAOYSA-N 0 3 358.486 1.238 20 10 FDCDHN O=C([C@H]1CN2CCN1CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000371224696 537781593 /nfs/dbraw/zinc/78/15/93/537781593.db2.gz AWOSLAXVAAIOFM-QZTJIDSGSA-N 0 3 359.470 1.290 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C3CCOCC3)C1)cc2=O ZINC000376203404 537846106 /nfs/dbraw/zinc/84/61/06/537846106.db2.gz NKHLHXVHPOFYAK-CQSZACIVSA-N 0 3 374.441 1.860 20 10 FDCDHN CN(C)c1ccc(CN2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000372813018 538038149 /nfs/dbraw/zinc/03/81/49/538038149.db2.gz SDASYJXLHKHZNP-MRXNPFEDSA-N 0 3 369.506 1.633 20 10 FDCDHN CN(C)c1ccc(C[N@H+](C)C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821611105 607387194 /nfs/dbraw/zinc/38/71/94/607387194.db2.gz QSYRDWVUCSYLDS-AWEZNQCLSA-N 0 3 367.461 1.303 20 10 FDCDHN CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821611105 607387197 /nfs/dbraw/zinc/38/71/97/607387197.db2.gz QSYRDWVUCSYLDS-AWEZNQCLSA-N 0 3 367.461 1.303 20 10 FDCDHN CN(C)c1ccc(C[N@H+](C)C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821611105 607387199 /nfs/dbraw/zinc/38/71/99/607387199.db2.gz QSYRDWVUCSYLDS-AWEZNQCLSA-N 0 3 367.461 1.303 20 10 FDCDHN CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821611105 607387201 /nfs/dbraw/zinc/38/72/01/607387201.db2.gz QSYRDWVUCSYLDS-AWEZNQCLSA-N 0 3 367.461 1.303 20 10 FDCDHN COc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1-c1nnn[n-]1 ZINC000826202737 607569912 /nfs/dbraw/zinc/56/99/12/607569912.db2.gz LPULWSBTWUAINS-UHFFFAOYSA-N 0 3 355.354 1.599 20 10 FDCDHN C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000288535844 676019232 /nfs/dbraw/zinc/01/92/32/676019232.db2.gz UUIWEOSMNSGUCO-JSGCOSHPSA-N 0 3 367.471 1.463 20 10 FDCDHN CN(C)c1ccc(CNCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000264698400 672921498 /nfs/dbraw/zinc/92/14/98/672921498.db2.gz GJKNHIUBTUMADE-KRWDZBQOSA-N 0 3 355.504 1.331 20 10 FDCDHN CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000266509100 673134767 /nfs/dbraw/zinc/13/47/67/673134767.db2.gz ZRUIFOACZLNWJI-CYBMUJFWSA-N 0 3 355.460 1.320 20 10 FDCDHN CN1CCC([NH+]2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)CC1 ZINC000294778073 676397121 /nfs/dbraw/zinc/39/71/21/676397121.db2.gz CIGCRBONWNDXSP-UHFFFAOYSA-N 0 3 351.422 1.525 20 10 FDCDHN C[N@@H+]1CCCC12CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000363916001 676978389 /nfs/dbraw/zinc/97/83/89/676978389.db2.gz CVVCJCCCUYOTEG-UHFFFAOYSA-N 0 3 367.471 1.464 20 10 FDCDHN C[N@H+]1CCCC12CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000363916001 676978391 /nfs/dbraw/zinc/97/83/91/676978391.db2.gz CVVCJCCCUYOTEG-UHFFFAOYSA-N 0 3 367.471 1.464 20 10 FDCDHN Cc1cnc2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)nn2c1 ZINC000891245363 774075484 /nfs/dbraw/zinc/07/54/84/774075484.db2.gz CYWBHAUMWGXGMZ-INIZCTEOSA-N 0 3 367.457 1.531 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(N3CCOCC3)CC2)N(C)C)cc1 ZINC000891245228 774079087 /nfs/dbraw/zinc/07/90/87/774079087.db2.gz AJJUOKGFVSJEHU-SFHVURJKSA-N 0 3 360.502 1.336 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc(N(C)C)cn2)N(C)C)cc1 ZINC000891246362 774087933 /nfs/dbraw/zinc/08/79/33/774087933.db2.gz BMQGZDCAWRJHSG-QGZVFWFLSA-N 0 3 356.474 1.641 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CN2CCN(C3CC3)C2=O)N(C)C)cc1 ZINC000891248624 774098244 /nfs/dbraw/zinc/09/82/44/774098244.db2.gz ZNGNAKQLWRWYQQ-SFHVURJKSA-N 0 3 373.501 1.372 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CN2CCN(C3CC3)C2=O)N(C)C)cc1 ZINC000891248623 774098320 /nfs/dbraw/zinc/09/83/20/774098320.db2.gz ZNGNAKQLWRWYQQ-GOSISDBHSA-N 0 3 373.501 1.372 20 10 FDCDHN Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248950 774112590 /nfs/dbraw/zinc/11/25/90/774112590.db2.gz PAAJHIJEYWYQEU-KRWDZBQOSA-N 0 3 371.485 1.450 20 10 FDCDHN COCc1nn(C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250596 774115487 /nfs/dbraw/zinc/11/54/87/774115487.db2.gz XUQZKTVFEIXJFJ-GOSISDBHSA-N 0 3 359.474 1.665 20 10 FDCDHN CC[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000183337815 794269714 /nfs/dbraw/zinc/26/97/14/794269714.db2.gz AGAACPPUSNQYLV-KRWDZBQOSA-N 0 3 369.469 1.962 20 10 FDCDHN COC(=O)c1c(CNC[C@H](O)COCC2CC2)c2cc(F)ccc2n1C ZINC000894221832 811373879 /nfs/dbraw/zinc/37/38/79/811373879.db2.gz XNYDEYSFXHFYSZ-AWEZNQCLSA-N 0 3 364.417 1.981 20 10 FDCDHN CO[C@]1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000894226945 811500157 /nfs/dbraw/zinc/50/01/57/811500157.db2.gz OYBDEAPERHHXGG-HKUYNNGSSA-N 0 3 364.490 1.460 20 10 FDCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894844276 818794688 /nfs/dbraw/zinc/79/46/88/818794688.db2.gz YLGOMQQSPPJVJT-OCCSQVGLSA-N 0 3 374.453 1.714 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2cn(C)cn2)N(C)C)cc1 ZINC000895291503 822411712 /nfs/dbraw/zinc/41/17/12/822411712.db2.gz MJRPYMQONQSLFE-SFHVURJKSA-N 0 3 358.490 1.631 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCc2ncn(C)n2)N(C)C)cc1 ZINC000895498101 822629320 /nfs/dbraw/zinc/62/93/20/822629320.db2.gz JOIHWWYOAZGTHP-KRWDZBQOSA-N 0 3 373.505 1.416 20 10 FDCDHN COC(=O)C1([C@@]2(O)CCCN(Cc3cc4c(cc3O)OCO4)C2)CCC1 ZINC000897699702 840243926 /nfs/dbraw/zinc/24/39/26/840243926.db2.gz IDDXYVNGVQSQRX-LJQANCHMSA-N 0 3 363.410 1.791 20 10 FDCDHN CN(C)c1ccc([C@@H](CNCc2cn(C[C@H]3CCCO3)nn2)N(C)C)cc1 ZINC000898447251 844714072 /nfs/dbraw/zinc/71/40/72/844714072.db2.gz IBSMNXYAUFLMRN-WOJBJXKFSA-N 0 3 372.517 1.916 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCN(C(=O)C3CC3)C2)N(C)C)cc1 ZINC000899097718 845759923 /nfs/dbraw/zinc/75/99/23/845759923.db2.gz FXJILNFCTPXBPO-SFHVURJKSA-N 0 3 373.501 1.577 20 10 FDCDHN C[C@H](CO)N(C[C@H](C)O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102033 845774558 /nfs/dbraw/zinc/77/45/58/845774558.db2.gz JTWBOORXCVHNEE-RVKKMQEKSA-N 0 3 366.506 1.129 20 10 FDCDHN C[C@@H]1CC(=O)NCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102984 845775564 /nfs/dbraw/zinc/77/55/64/845775564.db2.gz UBVSTLDFRVCLEO-PBHICJAKSA-N 0 3 361.490 1.275 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCCn3nncc3C2)N(C)C)cc1 ZINC000899098291 845791863 /nfs/dbraw/zinc/79/18/63/845791863.db2.gz NIZICSZLDDKMFA-SFHVURJKSA-N 0 3 371.489 1.562 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=S)NC[C@H]2CCOC2)N(C)C)cc1 ZINC000899724265 846625671 /nfs/dbraw/zinc/62/56/71/846625671.db2.gz LLOQNEADXWQNKH-RHSMWYFYSA-N 0 3 350.532 1.856 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000906772959 853298507 /nfs/dbraw/zinc/29/85/07/853298507.db2.gz RIERUYLAKJXJOF-GOSISDBHSA-N 0 3 369.469 1.692 20 10 FDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517611 858728580 /nfs/dbraw/zinc/72/85/80/858728580.db2.gz WTEITHZSHSXZEC-IEBWSBKVSA-N 0 3 367.449 1.872 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3cc4c(cc3O)OC[C@@H]4O)C2)nn1 ZINC000762457389 875946948 /nfs/dbraw/zinc/94/69/48/875946948.db2.gz BTGSXVMIEIFIEY-WBMJQRKESA-N 0 3 374.397 1.033 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)nn1 ZINC000762457389 875946952 /nfs/dbraw/zinc/94/69/52/875946952.db2.gz BTGSXVMIEIFIEY-WBMJQRKESA-N 0 3 374.397 1.033 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)nn1 ZINC000762457389 875946960 /nfs/dbraw/zinc/94/69/60/875946960.db2.gz BTGSXVMIEIFIEY-WBMJQRKESA-N 0 3 374.397 1.033 20 10 FDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1 ZINC000763032646 877599934 /nfs/dbraw/zinc/59/99/34/877599934.db2.gz XZLUZKQZUYDLFC-MRXNPFEDSA-N 0 3 358.486 1.489 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)cc1F ZINC000763049892 877685411 /nfs/dbraw/zinc/68/54/11/877685411.db2.gz JIWRJSLMBKCZGO-SFHVURJKSA-N 0 3 352.454 1.538 20 10 FDCDHN CN(Cc1cccs1)c1ccc(CNC[C@H](O)CS(C)(=O)=O)cc1 ZINC000922822540 879418934 /nfs/dbraw/zinc/41/89/34/879418934.db2.gz HXTPPJGLEGDXLA-INIZCTEOSA-N 0 3 368.524 1.880 20 10 FDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000746105505 930335928 /nfs/dbraw/zinc/33/59/28/930335928.db2.gz XWNBEJWPHIVWIJ-GOSISDBHSA-N 0 3 374.529 1.901 20 10 FDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000787751224 932386568 /nfs/dbraw/zinc/38/65/68/932386568.db2.gz LHGZKTPPMJFKSO-ZDUSSCGKSA-N 0 3 370.544 1.732 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000787752154 932387489 /nfs/dbraw/zinc/38/74/89/932387489.db2.gz SEFGXBKXIGXIST-INIZCTEOSA-N 0 3 360.502 1.668 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000807098113 940249040 /nfs/dbraw/zinc/24/90/40/940249040.db2.gz TWQCRPFSECUXHO-SFHVURJKSA-N 0 3 358.486 1.374 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000807679447 940454597 /nfs/dbraw/zinc/45/45/97/940454597.db2.gz RVVZPJIDLLPETL-CABCVRRESA-N 0 3 358.486 1.696 20 10 FDCDHN C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1cc(Br)cc(F)c1[O-] ZINC000817946471 943090399 /nfs/dbraw/zinc/09/03/99/943090399.db2.gz XXRPTVXDYYNYSZ-SECBINFHSA-N 0 3 360.227 1.376 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cnn(C)c3C)CC2)cc1 ZINC000819191799 943469917 /nfs/dbraw/zinc/46/99/17/943469917.db2.gz UQLCLWCWAIPDDB-LJQANCHMSA-N 0 3 373.501 1.010 20 10 FDCDHN Oc1cc2c(cc1C[NH2+]CCOc1ccc(-c3nn[n-]n3)cc1)OCO2 ZINC000823727155 946471226 /nfs/dbraw/zinc/47/12/26/946471226.db2.gz QMZOOKVBZFRPOM-UHFFFAOYSA-N 0 3 355.354 1.470 20 10 FDCDHN C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc(N(C)C)cc1 ZINC000845123272 948746506 /nfs/dbraw/zinc/74/65/06/948746506.db2.gz ANYFCOUEPIFFCD-HNNXBMFYSA-N 0 3 361.490 1.229 20 10 FDCDHN Cc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c(C)n1-c1ccccn1 ZINC000846357659 950994108 /nfs/dbraw/zinc/99/41/08/950994108.db2.gz SIUKAESOAHZYIX-UHFFFAOYSA-N 0 3 369.469 1.335 20 10 FDCDHN CN(CCN1CCCCC1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000846733118 951510467 /nfs/dbraw/zinc/51/04/67/951510467.db2.gz GCGQUIOJSSSFNN-UHFFFAOYSA-N 0 3 370.497 1.623 20 10 FDCDHN C[C@@H](N[C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000775258926 967019251 /nfs/dbraw/zinc/01/92/51/967019251.db2.gz CDBOCPQBJHGXRO-JTDSTZFVSA-N 0 3 361.486 1.858 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)C3(N)CC4(CCC4)C3)cc2)CC1 ZINC000852889173 967692398 /nfs/dbraw/zinc/69/23/98/967692398.db2.gz FBMRVKRNEOFJFB-UHFFFAOYSA-N 0 3 370.497 1.633 20 10 FDCDHN CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(O)c1[O-] ZINC000776638097 967782983 /nfs/dbraw/zinc/78/29/83/967782983.db2.gz KNNOGDGCUHBZKA-CQSZACIVSA-N 0 3 364.442 1.978 20 10 FDCDHN CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc(O)c1[O-] ZINC000776638097 967782986 /nfs/dbraw/zinc/78/29/86/967782986.db2.gz KNNOGDGCUHBZKA-CQSZACIVSA-N 0 3 364.442 1.978 20 10 FDCDHN CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCN(C)C1 ZINC000853452447 968020716 /nfs/dbraw/zinc/02/07/16/968020716.db2.gz IPQVITPUQDEEMR-MRXNPFEDSA-N 0 3 364.465 1.898 20 10 FDCDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775642974 970738037 /nfs/dbraw/zinc/73/80/37/970738037.db2.gz QQOVSOLUMJHGPV-GOSISDBHSA-N 0 3 351.516 1.447 20 10 FDCDHN C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855897696 970756983 /nfs/dbraw/zinc/75/69/83/970756983.db2.gz FRSCAOMCERLUMS-CYBMUJFWSA-N 0 3 369.487 1.614 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cccnc3C)CC2)cc1 ZINC000863578857 973029992 /nfs/dbraw/zinc/02/99/92/973029992.db2.gz YBEYQRXGSSJRKB-FQEVSTJZSA-N 0 3 370.497 1.671 20 10 FDCDHN C[C@H]1CCN(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848217209 976490640 /nfs/dbraw/zinc/49/06/40/976490640.db2.gz QHYGLMZXOZLERA-ZDUSSCGKSA-N 0 3 353.413 1.759 20 10 FDCDHN O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CNC1 ZINC000923604163 976525041 /nfs/dbraw/zinc/52/50/41/976525041.db2.gz SVLGYVCMKHRMQX-UHFFFAOYSA-N 0 3 361.414 1.148 20 10 FDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)c2ccc3c(c2)C(=O)CC3)cc1 ZINC000848600826 976940881 /nfs/dbraw/zinc/94/08/81/976940881.db2.gz VGWVDHHMYQLKDN-SFHVURJKSA-N 0 3 373.478 1.860 20 10 FDCDHN CCc1cccc(CN2CCN(c3ncnc4c3cnn4C)CC2)c1O ZINC000848881695 977221327 /nfs/dbraw/zinc/22/13/27/977221327.db2.gz STTQLZNBXNFULH-UHFFFAOYSA-N 0 3 352.442 1.954 20 10 FDCDHN COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCN3C)CC2)c(OC)c1 ZINC000868362028 977535782 /nfs/dbraw/zinc/53/57/82/977535782.db2.gz MPKCRRLCVVRHJF-HNNXBMFYSA-N 0 3 362.474 1.630 20 10 FDCDHN NC(=O)[C@@](O)(C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000851840936 979095141 /nfs/dbraw/zinc/09/51/41/979095141.db2.gz MFNADPRYRSTOJQ-WIYYLYMNSA-N 0 3 370.449 1.746 20 10 FDCDHN NC(=O)[C@@](O)(C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000851840936 979095151 /nfs/dbraw/zinc/09/51/51/979095151.db2.gz MFNADPRYRSTOJQ-WIYYLYMNSA-N 0 3 370.449 1.746 20 10 FDCDHN C[C@@H](CN1CCOCC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881852276 980215372 /nfs/dbraw/zinc/21/53/72/980215372.db2.gz KBTUSIHZOAYXNN-KRWDZBQOSA-N 0 3 360.502 1.023 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)Cn3cncc3C)CC2)cc1 ZINC000858180198 981900129 /nfs/dbraw/zinc/90/01/29/981900129.db2.gz NBCJGEQXGDDQFU-UHFFFAOYSA-N 0 3 371.485 1.529 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000859879047 983059600 /nfs/dbraw/zinc/05/96/00/983059600.db2.gz MCELIQLSIXCRGN-XLIONFOSSA-N 0 3 370.453 1.589 20 10 FDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000862552177 984410850 /nfs/dbraw/zinc/41/08/50/984410850.db2.gz UKKGAFPQXVZXHJ-GFCCVEGCSA-N 0 3 358.460 1.171 20 10 FDCDHN NC(=O)C1CCN(c2ccc(CNCc3cnc4n3CCC4)cc2)CC1 ZINC000886324742 986070206 /nfs/dbraw/zinc/07/02/06/986070206.db2.gz FGPDGVDNFPOTGU-UHFFFAOYSA-N 0 3 353.470 1.821 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@]3(C1)CCCOC3)cc2=O ZINC000366942944 988858819 /nfs/dbraw/zinc/85/88/19/988858819.db2.gz JAKJGPGRVFXNKM-SFHVURJKSA-N 0 3 360.414 1.614 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000297309291 989511179 /nfs/dbraw/zinc/51/11/79/989511179.db2.gz QUOGLQXFBVBVET-GOSISDBHSA-N 0 3 358.486 1.709 20 10 FDCDHN COc1cc(CN2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c(C(C)(C)C)c1 ZINC000825732032 990293116 /nfs/dbraw/zinc/29/31/16/990293116.db2.gz NNLRSANFDNNLMP-LJQANCHMSA-N 0 3 361.442 1.872 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000371314231 990354328 /nfs/dbraw/zinc/35/43/28/990354328.db2.gz RCRQINBWUPJLBQ-IEBWSBKVSA-N 0 3 372.513 1.702 20 10 FDCDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875204984 991073510 /nfs/dbraw/zinc/07/35/10/991073510.db2.gz BRCVAWOUHAULSN-INIZCTEOSA-N 0 3 360.458 1.360 20 10 FDCDHN CN(C)C[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000876777886 992903529 /nfs/dbraw/zinc/90/35/29/992903529.db2.gz VZNSIBBTEKOFPT-DOMZBBRYSA-N 0 3 356.417 1.262 20 10 FDCDHN Cc1ccc(CNCc2ccccc2S(=O)(=O)N(C)CCO)c(O)c1 ZINC000877033721 993022262 /nfs/dbraw/zinc/02/22/62/993022262.db2.gz KWPCTXPXYSKZLB-UHFFFAOYSA-N 0 3 364.467 1.603 20 10 FDCDHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877636502 993398695 /nfs/dbraw/zinc/39/86/95/993398695.db2.gz YZDUDAXTNHPMFU-GOSISDBHSA-N 0 3 360.502 1.835 20 10 FDCDHN COc1cc(O)c(CN[C@H]2CCN(C3CCOCC3)C2=O)cc1OC ZINC000877672756 993429160 /nfs/dbraw/zinc/42/91/60/993429160.db2.gz MODVKYMOOOJJGI-AWEZNQCLSA-N 0 3 350.415 1.279 20 10 FDCDHN COc1cc(Cl)cc(CN[C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000877672617 993429268 /nfs/dbraw/zinc/42/92/68/993429268.db2.gz ISHLAGQUNRKENE-CQSZACIVSA-N 0 3 354.834 1.924 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000877672617 993429276 /nfs/dbraw/zinc/42/92/76/993429276.db2.gz ISHLAGQUNRKENE-CQSZACIVSA-N 0 3 354.834 1.924 20 10 FDCDHN CNS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000877688849 993442799 /nfs/dbraw/zinc/44/27/99/993442799.db2.gz IKYATWUPSSOWHB-UHFFFAOYSA-N 0 3 351.266 1.492 20 10 FDCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000924256061 994521731 /nfs/dbraw/zinc/52/17/31/994521731.db2.gz MVXNAEBYMGWXRR-HZPDHXFCSA-N 0 3 372.513 1.877 20 10 FDCDHN COc1ccc(N2CCN(CCCN[C@H](C)c3cnn(C)n3)CC2)cc1 ZINC000924579574 994849051 /nfs/dbraw/zinc/84/90/51/994849051.db2.gz KYMODUIYFWWMDU-MRXNPFEDSA-N 0 3 358.490 1.687 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C(C)(C)O)C3)CC2)cc1 ZINC000880139043 995676351 /nfs/dbraw/zinc/67/63/51/995676351.db2.gz LPAVOAGQTJJVFZ-MRXNPFEDSA-N 0 3 361.486 1.437 20 10 FDCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)N1CCC[C@H](C)C1 ZINC000283663655 999760030 /nfs/dbraw/zinc/76/00/30/999760030.db2.gz YKFBLGHPDCJALK-JKSUJKDBSA-N 0 3 360.502 1.605 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000284056605 999775709 /nfs/dbraw/zinc/77/57/09/999775709.db2.gz MLPPNYPOTOCKIB-UHFFFAOYSA-N 0 3 360.502 1.702 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCc2ccco2)N(C)C)cc1 ZINC000929206173 1001813675 /nfs/dbraw/zinc/81/36/75/1001813675.db2.gz BGADGSWDKMCMKJ-GOSISDBHSA-N 0 3 372.469 1.423 20 10 FDCDHN CC1(C)CCN(CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000929525740 1002166265 /nfs/dbraw/zinc/16/62/65/1002166265.db2.gz AGBHDJBCKFIQBM-UHFFFAOYSA-N 0 3 372.513 1.751 20 10 FDCDHN Cc1occc1CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929700286 1002360125 /nfs/dbraw/zinc/36/01/25/1002360125.db2.gz ZIRHYEVVXDXRGQ-GOSISDBHSA-N 0 3 372.469 1.689 20 10 FDCDHN CN(Cc1ccccc1O)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929976229 1002684961 /nfs/dbraw/zinc/68/49/61/1002684961.db2.gz MEJFNKIFNQJIKT-MRXNPFEDSA-N 0 3 370.515 1.826 20 10 FDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929976229 1002684968 /nfs/dbraw/zinc/68/49/68/1002684968.db2.gz MEJFNKIFNQJIKT-MRXNPFEDSA-N 0 3 370.515 1.826 20 10 FDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929976229 1002684974 /nfs/dbraw/zinc/68/49/74/1002684974.db2.gz MEJFNKIFNQJIKT-MRXNPFEDSA-N 0 3 370.515 1.826 20 10 FDCDHN Fc1cc(CN2CCC[C@H]2CN2CCOCC2)ccc1N1CCOCC1 ZINC000092218148 1007070282 /nfs/dbraw/zinc/07/02/82/1007070282.db2.gz IHOJLMKUURINCI-SFHVURJKSA-N 0 3 363.477 1.959 20 10 FDCDHN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271428567 674342875 /nfs/dbraw/zinc/34/28/75/674342875.db2.gz SOFARNBQZKRWLB-RISCZKNCSA-N 0 3 355.460 1.176 20 10 FDCDHN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271428567 674342877 /nfs/dbraw/zinc/34/28/77/674342877.db2.gz SOFARNBQZKRWLB-RISCZKNCSA-N 0 3 355.460 1.176 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000152061977 524768865 /nfs/dbraw/zinc/76/88/65/524768865.db2.gz PRMBWQPYPVGFTR-GOSISDBHSA-N 0 3 373.501 1.201 20 10 FDCDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093821100 525004139 /nfs/dbraw/zinc/00/41/39/525004139.db2.gz XOSRXRWBQLBLAE-HXUWFJFHSA-N 0 3 372.513 1.262 20 10 FDCDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000116792849 525220628 /nfs/dbraw/zinc/22/06/28/525220628.db2.gz IIHIOXHZQRUQPP-MTCRFPMVSA-N 0 3 359.470 1.325 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](N4CCCC4)C3)CC2)cc1 ZINC000170741973 525696502 /nfs/dbraw/zinc/69/65/02/525696502.db2.gz YHWUIVPYCFTCAH-IBGZPJMESA-N 0 3 372.513 1.514 20 10 FDCDHN COCCNS(=O)(=O)c1cccc(CNCc2cccc(C)c2O)c1 ZINC000182362337 526146059 /nfs/dbraw/zinc/14/60/59/526146059.db2.gz VAGHCPMXHPCVOR-UHFFFAOYSA-N 0 3 364.467 1.915 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](C3(C)OCCO3)C2)cc1 ZINC000183846213 536057211 /nfs/dbraw/zinc/05/72/11/536057211.db2.gz ODGNOMFXOCUGQO-QGZVFWFLSA-N 0 3 361.486 1.844 20 10 FDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187870863 536277044 /nfs/dbraw/zinc/27/70/44/536277044.db2.gz BCUHFCHAVBGYEC-QWHCGFSZSA-N 0 3 357.248 1.880 20 10 FDCDHN COCCOC[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000266597929 536908320 /nfs/dbraw/zinc/90/83/20/536908320.db2.gz PFJBIRVUKSDQLI-SFHVURJKSA-N 0 3 363.502 1.696 20 10 FDCDHN COCCN1C(=O)C[C@@H](C[NH2+]Cc2ccccc2[O-])[C@@H]1c1cnn(C)c1C ZINC000275320674 537556202 /nfs/dbraw/zinc/55/62/02/537556202.db2.gz OVUGXZDFVLLINO-OXJNMPFZSA-N 0 3 372.469 1.760 20 10 FDCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000360016594 537574994 /nfs/dbraw/zinc/57/49/94/537574994.db2.gz AWFNOEMWXPZFGC-LIRRHRJNSA-N 0 3 361.442 1.991 20 10 FDCDHN C[C@@H](N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000295239610 537711677 /nfs/dbraw/zinc/71/16/77/537711677.db2.gz XXZGNOFPYKVSSD-CQSZACIVSA-N 0 3 367.465 1.370 20 10 FDCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)CN(C)C)C1 ZINC000614853509 555127971 /nfs/dbraw/zinc/12/79/71/555127971.db2.gz XTUDYZPPMCYLFF-MRXNPFEDSA-N 0 3 372.513 1.447 20 10 FDCDHN CCCN(CCNS(=O)(=O)c1cnn(C)c1)Cc1ccccc1O ZINC000076074451 671423253 /nfs/dbraw/zinc/42/32/53/671423253.db2.gz RUSOXBOHAIWZPD-UHFFFAOYSA-N 0 3 352.460 1.316 20 10 FDCDHN C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000287420319 675916113 /nfs/dbraw/zinc/91/61/13/675916113.db2.gz ZYYVOZZENUGWEB-SWLSCSKDSA-N 0 3 367.471 1.463 20 10 FDCDHN CCN(CC)CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106829861 671607865 /nfs/dbraw/zinc/60/78/65/671607865.db2.gz AYMROWGEWYHVMJ-UHFFFAOYSA-N 0 3 350.482 1.926 20 10 FDCDHN COC(=O)c1cn(CC[NH2+]Cc2cc(Br)cc(C)c2[O-])nn1 ZINC000284301716 675688286 /nfs/dbraw/zinc/68/82/86/675688286.db2.gz BPZLSJBVSSKKBZ-UHFFFAOYSA-N 0 3 369.219 1.631 20 10 FDCDHN CN(C)c1ccc(CNC[C@]2(O)CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000294902651 676398501 /nfs/dbraw/zinc/39/85/01/676398501.db2.gz XJWBWHKFXGYNQO-CQSZACIVSA-N 0 3 366.405 1.411 20 10 FDCDHN COc1ccc(O)c([C@H](C)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000375256281 678098515 /nfs/dbraw/zinc/09/85/15/678098515.db2.gz OUIZUCYKIBDTJE-ZFWWWQNUSA-N 0 3 354.472 1.962 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(C(N)=O)o2)N(C)C)cc1 ZINC000891246189 774083963 /nfs/dbraw/zinc/08/39/63/774083963.db2.gz NEWARAZIYVISHX-DPCFLFMUSA-N 0 3 370.453 1.877 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(C(N)=O)o2)N(C)C)cc1 ZINC000891246190 774084175 /nfs/dbraw/zinc/08/41/75/774084175.db2.gz NEWARAZIYVISHX-JICACKBISA-N 0 3 370.453 1.877 20 10 FDCDHN C[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247805 774098907 /nfs/dbraw/zinc/09/89/07/774098907.db2.gz VITFIFXTAHCXSJ-YOEHRIQHSA-N 0 3 372.469 1.883 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@]2(C)CCC(=O)N2)N(C)C)cc1 ZINC000891249400 774107293 /nfs/dbraw/zinc/10/72/93/774107293.db2.gz SNVOBGXMXSURSZ-FXAWDEMLSA-N 0 3 360.502 1.920 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@@]2(C)CCC(=O)N2)N(C)C)cc1 ZINC000891249401 774107434 /nfs/dbraw/zinc/10/74/34/774107434.db2.gz SNVOBGXMXSURSZ-PXNSSMCTSA-N 0 3 360.502 1.920 20 10 FDCDHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891253401 774143525 /nfs/dbraw/zinc/14/35/25/774143525.db2.gz SCAMXOUFIJEXNS-UYAOXDASSA-N 0 3 360.502 1.730 20 10 FDCDHN Oc1ccc(C[C@H](O)c2nc(-c3ccc4c(n3)CCNC4)no2)cc1O ZINC001211668815 803791083 /nfs/dbraw/zinc/79/10/83/803791083.db2.gz XBCFIJDEIGRKHR-INIZCTEOSA-N 0 3 354.366 1.465 20 10 FDCDHN COC(=O)C1CCN(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272453213 814710347 /nfs/dbraw/zinc/71/03/47/814710347.db2.gz NULBPUPQHJUDIL-GQCTYLIASA-N 0 3 362.426 1.502 20 10 FDCDHN CO[C@@H]1COC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895505303 822627081 /nfs/dbraw/zinc/62/70/81/822627081.db2.gz JKXZBOGVOCCCKS-IXDOHACOSA-N 0 3 350.463 1.068 20 10 FDCDHN CCON(C)C(=O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895571225 822654372 /nfs/dbraw/zinc/65/43/72/822654372.db2.gz WMJFORAPEUESRQ-MRXNPFEDSA-N 0 3 365.478 1.064 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCCn3nncc3C2)N(C)C)cc1 ZINC000899098289 845791479 /nfs/dbraw/zinc/79/14/79/845791479.db2.gz NIZICSZLDDKMFA-GOSISDBHSA-N 0 3 371.489 1.562 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC[C@H](O)C3(O)CCC3)cc2F)C[C@H](C)O1 ZINC000905054574 851614887 /nfs/dbraw/zinc/61/48/87/851614887.db2.gz JPNGIDSIPBXSRC-IYOUNJFTSA-N 0 3 352.450 1.805 20 10 FDCDHN CN1CCC(N(CCO)C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000911946638 859145418 /nfs/dbraw/zinc/14/54/18/859145418.db2.gz NYDFMUUCIHKCFG-UHFFFAOYSA-N 0 3 350.440 1.841 20 10 FDCDHN CCN1C(=O)C(=CNC[C@H](c2ccccc2)N(C)C)C(=O)N(CC)C1=S ZINC000028976036 881416319 /nfs/dbraw/zinc/41/63/19/881416319.db2.gz HKPMXERJOZLXOQ-MRXNPFEDSA-N 0 3 374.510 1.758 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CCN(C)CCO ZINC000912612227 859959313 /nfs/dbraw/zinc/95/93/13/859959313.db2.gz KXPBYQIMOWXGKN-UHFFFAOYSA-N 0 3 357.454 1.903 20 10 FDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1C ZINC000914242469 871993786 /nfs/dbraw/zinc/99/37/86/871993786.db2.gz LAXICRNWWDIPBS-CJNGLKHVSA-N 0 3 350.438 1.554 20 10 FDCDHN CC1CCN(c2ccc(CNC(=O)NC[C@]3(O)CCN(C)C3)cc2)CC1 ZINC000763050000 877686529 /nfs/dbraw/zinc/68/65/29/877686529.db2.gz JXEXUYZEPZKDCE-HXUWFJFHSA-N 0 3 360.502 1.789 20 10 FDCDHN CN1CCC[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000919653960 885982769 /nfs/dbraw/zinc/98/27/69/885982769.db2.gz GBNHYUFUPLPOAW-SFHVURJKSA-N 0 3 360.502 1.789 20 10 FDCDHN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000763485632 889822902 /nfs/dbraw/zinc/82/29/02/889822902.db2.gz GYCIXXDDFLBLJK-PXNSSMCTSA-N 0 3 373.545 1.920 20 10 FDCDHN C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1[O-] ZINC000731843482 918714953 /nfs/dbraw/zinc/71/49/53/918714953.db2.gz JUPDFKCUZSPKRI-UHFFFAOYSA-N 0 3 374.441 1.500 20 10 FDCDHN C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1[O-] ZINC000731843482 918714958 /nfs/dbraw/zinc/71/49/58/918714958.db2.gz JUPDFKCUZSPKRI-UHFFFAOYSA-N 0 3 374.441 1.500 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000732214074 919212539 /nfs/dbraw/zinc/21/25/39/919212539.db2.gz MHTZEUYGAHBLME-LJQANCHMSA-N 0 3 372.513 1.512 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCN(C2CC2)C1 ZINC000734269748 923136992 /nfs/dbraw/zinc/13/69/92/923136992.db2.gz NIEWRROKENHKJL-HNNXBMFYSA-N 0 3 362.449 1.698 20 10 FDCDHN COC(=O)C[C@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000766458179 928049249 /nfs/dbraw/zinc/04/92/49/928049249.db2.gz FMFZNTQUBAMRLJ-GOSISDBHSA-N 0 3 352.406 1.474 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)CN3[C@@H](C)CC[C@@H]3C)cc2)CC1 ZINC000787321796 932261864 /nfs/dbraw/zinc/26/18/64/932261864.db2.gz KDGAAYRKZYFCNQ-IRXDYDNUSA-N 0 3 372.513 1.844 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787668907 932362868 /nfs/dbraw/zinc/36/28/68/932362868.db2.gz IJSVSHDQNUFASD-HZPDHXFCSA-N 0 3 360.502 1.778 20 10 FDCDHN C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000807670146 940439837 /nfs/dbraw/zinc/43/98/37/940439837.db2.gz BIILYJIXUCCLJR-YJBOKZPZSA-N 0 3 358.486 1.627 20 10 FDCDHN COc1cccc(O)c1CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000809785166 940902048 /nfs/dbraw/zinc/90/20/48/940902048.db2.gz RPZNSIUEQYRERF-ZDUSSCGKSA-N 0 3 354.472 1.695 20 10 FDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000809785166 940902049 /nfs/dbraw/zinc/90/20/49/940902049.db2.gz RPZNSIUEQYRERF-ZDUSSCGKSA-N 0 3 354.472 1.695 20 10 FDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000809785166 940902050 /nfs/dbraw/zinc/90/20/50/940902050.db2.gz RPZNSIUEQYRERF-ZDUSSCGKSA-N 0 3 354.472 1.695 20 10 FDCDHN CC(C)[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)N1CCN(C)CC1 ZINC000819165953 943456405 /nfs/dbraw/zinc/45/64/05/943456405.db2.gz ILERGMJALCUKNU-QGZVFWFLSA-N 0 3 374.485 1.428 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cnc(C)o3)CC2)cc1 ZINC000819364940 943558159 /nfs/dbraw/zinc/55/81/59/943558159.db2.gz ZFFNLSZUAWAFKM-QGZVFWFLSA-N 0 3 360.458 1.264 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCNC[C@H]2c2cccnc2)cc1 ZINC000844224664 947858013 /nfs/dbraw/zinc/85/80/13/947858013.db2.gz TUQYIWOCZHFOGA-FQEVSTJZSA-N 0 3 367.497 1.753 20 10 FDCDHN C[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846183154 950661823 /nfs/dbraw/zinc/66/18/23/950661823.db2.gz FARRESJDUKZZCB-UKRRQHHQSA-N 0 3 371.478 1.347 20 10 FDCDHN O=C(c1cccc(O)c1[O-])N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001148213459 952647689 /nfs/dbraw/zinc/64/76/89/952647689.db2.gz BMKRVFDDUVNMHB-BUXKBTBVSA-N 0 3 373.384 1.800 20 10 FDCDHN COc1cc(C)nc(N(C(=O)c2cccc(O)c2[O-])C2CC[NH2+]CC2)n1 ZINC001148218361 952651997 /nfs/dbraw/zinc/65/19/97/952651997.db2.gz AEOMILHETXBADI-UHFFFAOYSA-N 0 3 358.398 1.604 20 10 FDCDHN [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc(I)cc2[O-])C1 ZINC001206432486 965610411 /nfs/dbraw/zinc/61/04/11/965610411.db2.gz CAMKLPQWHQAFFX-GXSJLCMTSA-N 0 3 350.175 1.868 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H]4COC[C@@]4(C)C3)CC2)cc1 ZINC000852532892 967402481 /nfs/dbraw/zinc/40/24/81/967402481.db2.gz RMNMZBQPLSDTJM-OXQOHEQNSA-N 0 3 359.470 1.312 20 10 FDCDHN CCn1nccc1CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000853135106 967851534 /nfs/dbraw/zinc/85/15/34/967851534.db2.gz ZFHZDKPCNVVGRO-LJQANCHMSA-N 0 3 373.501 1.184 20 10 FDCDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775642976 970737720 /nfs/dbraw/zinc/73/77/20/970737720.db2.gz QQOVSOLUMJHGPV-SFHVURJKSA-N 0 3 351.516 1.447 20 10 FDCDHN CN(C)CCCS(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866833971 976140731 /nfs/dbraw/zinc/14/07/31/976140731.db2.gz GGSYQZOVLSQEQP-UHFFFAOYSA-N 0 3 373.494 1.158 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848566593 976904695 /nfs/dbraw/zinc/90/46/95/976904695.db2.gz BUWCMOZBKUZTPV-NSHDSACASA-N 0 3 367.247 1.939 20 10 FDCDHN COc1ccc(O)c(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1 ZINC000849562282 977753353 /nfs/dbraw/zinc/75/33/53/977753353.db2.gz DRFMEBBJVPPVBE-IRXDYDNUSA-N 0 3 358.442 1.486 20 10 FDCDHN O=c1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c2ccnn21 ZINC000109761685 978789945 /nfs/dbraw/zinc/78/99/45/978789945.db2.gz NLMONUFAWMFOLZ-INIZCTEOSA-N 0 3 354.410 1.909 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H](N)COC(C)C)cc2F)CC1 ZINC000851627381 978977576 /nfs/dbraw/zinc/97/75/76/978977576.db2.gz WSSDGQNKHIMSLR-KRWDZBQOSA-N 0 3 366.481 1.336 20 10 FDCDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCSc2nccs2)n1 ZINC000851657997 978986921 /nfs/dbraw/zinc/98/69/21/978986921.db2.gz SUVKVFIZEAQVLD-UHFFFAOYSA-N 0 3 354.461 1.079 20 10 FDCDHN COc1cc(N2CCN(CCC(OC)OC)CC2)cc(OC)c1OC ZINC000851936578 979200784 /nfs/dbraw/zinc/20/07/84/979200784.db2.gz QPYADDAIOUDRBF-UHFFFAOYSA-N 0 3 354.447 1.843 20 10 FDCDHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852126546 979368757 /nfs/dbraw/zinc/36/87/57/979368757.db2.gz CWQRWRIDTMQHTM-HZPDHXFCSA-N 0 3 362.474 1.294 20 10 FDCDHN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2CNCCO2)CCCC1 ZINC000653163157 1014922771 /nfs/dbraw/zinc/92/27/71/1014922771.db2.gz JMXBBLQBLPHEHR-HNNXBMFYSA-N 0 3 357.454 1.633 20 10 FDCDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000369024124 989020136 /nfs/dbraw/zinc/02/01/36/989020136.db2.gz CBXUCZZDNUKKQO-HNNXBMFYSA-N 0 3 358.442 1.871 20 10 FDCDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000369024124 989020146 /nfs/dbraw/zinc/02/01/46/989020146.db2.gz CBXUCZZDNUKKQO-HNNXBMFYSA-N 0 3 358.442 1.871 20 10 FDCDHN CN1CCc2cc(CNC(=O)NCCN3CCN(C)C(C)(C)C3)ccc21 ZINC000373010639 991781260 /nfs/dbraw/zinc/78/12/60/991781260.db2.gz PXBODMFAXHEFKW-UHFFFAOYSA-N 0 3 359.518 1.504 20 10 FDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)CN(C)Cc2ccccc2)cc1F ZINC000876739372 992856369 /nfs/dbraw/zinc/85/63/69/992856369.db2.gz DUEUCMXNSQEITA-GOSISDBHSA-N 0 3 358.461 1.967 20 10 FDCDHN COC[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCCN1 ZINC000876931794 992972490 /nfs/dbraw/zinc/97/24/90/992972490.db2.gz VWHUFWDWGQHHGT-OXJNMPFZSA-N 0 3 361.486 1.796 20 10 FDCDHN Cn1cc(N2CC[C@@H](NCc3ccc(N4CCC(O)CC4)cc3)C2=O)cn1 ZINC000877045399 993028125 /nfs/dbraw/zinc/02/81/25/993028125.db2.gz BPAAEZIVYDVTMP-LJQANCHMSA-N 0 3 369.469 1.276 20 10 FDCDHN O=C1[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1C1CCOCC1 ZINC000877077360 993039092 /nfs/dbraw/zinc/03/90/92/993039092.db2.gz FJTDEABZOOHDSE-HXUWFJFHSA-N 0 3 373.497 1.517 20 10 FDCDHN CN(Cc1ccccc1)C(=O)CNC(=O)CN[C@@H]1CCc2cccc(O)c21 ZINC000926967415 996379565 /nfs/dbraw/zinc/37/95/65/996379565.db2.gz TWBYIEKPVWVIGL-QGZVFWFLSA-N 0 3 367.449 1.744 20 10 FDCDHN C[C@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000926967405 996379652 /nfs/dbraw/zinc/37/96/52/996379652.db2.gz SSZPTMSKLOLPHE-AWEZNQCLSA-N 0 3 373.428 1.957 20 10 FDCDHN N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000269250010 999466207 /nfs/dbraw/zinc/46/62/07/999466207.db2.gz OJCIHLCOAXGQCO-GOSISDBHSA-N 0 3 357.429 1.849 20 10 FDCDHN Cc1[nH]ncc1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000283852749 999762002 /nfs/dbraw/zinc/76/20/02/999762002.db2.gz DMJQMQWFULNRNG-UHFFFAOYSA-N 0 3 369.469 1.887 20 10 FDCDHN CC[C@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929328332 1001940677 /nfs/dbraw/zinc/94/06/77/1001940677.db2.gz RLJUSTVMDLKZEX-NVXWUHKLSA-N 0 3 364.490 1.013 20 10 FDCDHN COc1ccc(N2CCC(NC(=O)c3[nH]nc4c3CNCC4)CC2)cc1 ZINC000188754576 1002019200 /nfs/dbraw/zinc/01/92/00/1002019200.db2.gz KJQYXOHHASYHIH-UHFFFAOYSA-N 0 3 355.442 1.463 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCC=CO2)N(C)C)cc1 ZINC000930082697 1002795513 /nfs/dbraw/zinc/79/55/13/1002795513.db2.gz UBPPIKMEBXSAAK-ROUUACIJSA-N 0 3 374.485 1.280 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCSC2)N(C)C)cc1 ZINC000930099531 1002810872 /nfs/dbraw/zinc/81/08/72/1002810872.db2.gz OLHBADAQVKNYHC-ZBFHGGJFSA-N 0 3 364.515 1.093 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@H](C)CC3)CC2)cc1 ZINC000932349289 1004919577 /nfs/dbraw/zinc/91/95/77/1004919577.db2.gz WFUMMWGWRLNKIK-IEBWSBKVSA-N 0 3 363.502 1.289 20 10 FDCDHN CC(=O)c1cc(F)cc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)c1O ZINC000932839086 1005208789 /nfs/dbraw/zinc/20/87/89/1005208789.db2.gz BZUXXHCKIJMHOH-CQSZACIVSA-N 0 3 350.390 1.197 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)Cc2ccon2)N(C)C)cc1 ZINC000934318018 1005731984 /nfs/dbraw/zinc/73/19/84/1005731984.db2.gz ZDSXGYFTLVZJEJ-QGZVFWFLSA-N 0 3 373.457 1.118 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069803908 521959083 /nfs/dbraw/zinc/95/90/83/521959083.db2.gz XHTCJWLRGJWZGG-LJQANCHMSA-N 0 3 374.529 1.413 20 10 FDCDHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000063666299 522622044 /nfs/dbraw/zinc/62/20/44/522622044.db2.gz AKXDCWGTLYOBIA-UHFFFAOYSA-N 0 3 355.486 1.856 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C[NH+]1CCCCC1 ZINC000068115352 523701683 /nfs/dbraw/zinc/70/16/83/523701683.db2.gz BDLBUVWWFVTIEE-CYBMUJFWSA-N 0 3 369.487 1.616 20 10 FDCDHN CCCC[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000068442085 523790599 /nfs/dbraw/zinc/79/05/99/523790599.db2.gz CBZSMNNFXLJDPE-UHFFFAOYSA-N 0 3 369.487 1.758 20 10 FDCDHN C[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000089596182 524514658 /nfs/dbraw/zinc/51/46/58/524514658.db2.gz BELCTWLUTZFHEX-MAUKXSAKSA-N 0 3 369.531 1.892 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COC1CCOCC1 ZINC000154225448 525462029 /nfs/dbraw/zinc/46/20/29/525462029.db2.gz WOTIPZVIGNHALL-IBGZPJMESA-N 0 3 364.486 1.512 20 10 FDCDHN CN(C)C(=O)CN1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000129339261 525644979 /nfs/dbraw/zinc/64/49/79/525644979.db2.gz CPEIGGFPALSXQV-UHFFFAOYSA-N 0 3 370.291 1.751 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CN(C)C(C)C)cc2F)CC1 ZINC000106829747 525800895 /nfs/dbraw/zinc/80/08/95/525800895.db2.gz OJYIEVDVOIXITQ-UHFFFAOYSA-N 0 3 350.482 1.924 20 10 FDCDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000285794187 537289598 /nfs/dbraw/zinc/28/95/98/537289598.db2.gz UZOZUIJAFMWEFE-YJBOKZPZSA-N 0 3 372.513 1.626 20 10 FDCDHN COc1c([O-])c(C[NH2+]CCCN2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278441593 537328488 /nfs/dbraw/zinc/32/84/88/537328488.db2.gz WBTPMUIOYCPDBB-ZDUSSCGKSA-N 0 3 353.419 1.900 20 10 FDCDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000288426137 537499455 /nfs/dbraw/zinc/49/94/55/537499455.db2.gz DDUFKTYRFASXDC-LPHOPBHVSA-N 0 3 370.497 1.620 20 10 FDCDHN CCOC[C@@H](NCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C(C)C ZINC000285574638 537732083 /nfs/dbraw/zinc/73/20/83/537732083.db2.gz AOLSLFFSZGMPNQ-CQSZACIVSA-N 0 3 350.419 1.762 20 10 FDCDHN COC(=O)CC[C@@H](N)C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000377585611 537983719 /nfs/dbraw/zinc/98/37/19/537983719.db2.gz VBDCEXQFCCJNMF-QGZVFWFLSA-N 0 3 363.458 1.403 20 10 FDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278698552 675181606 /nfs/dbraw/zinc/18/16/06/675181606.db2.gz NKHKGLIIZGDUHU-ZFWWWQNUSA-N 0 3 351.834 1.996 20 10 FDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278698552 675181609 /nfs/dbraw/zinc/18/16/09/675181609.db2.gz NKHKGLIIZGDUHU-ZFWWWQNUSA-N 0 3 351.834 1.996 20 10 FDCDHN COC(=O)CNC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264758950 672924484 /nfs/dbraw/zinc/92/44/84/672924484.db2.gz YHTYLBFFUYOKHY-OAHLLOKOSA-N 0 3 350.415 1.053 20 10 FDCDHN COC(=O)CNC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264758950 672924485 /nfs/dbraw/zinc/92/44/85/672924485.db2.gz YHTYLBFFUYOKHY-OAHLLOKOSA-N 0 3 350.415 1.053 20 10 FDCDHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265014873 672928175 /nfs/dbraw/zinc/92/81/75/672928175.db2.gz DATPPAFFQZIJGV-AWEZNQCLSA-N 0 3 369.487 1.758 20 10 FDCDHN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265014873 672928180 /nfs/dbraw/zinc/92/81/80/672928180.db2.gz DATPPAFFQZIJGV-AWEZNQCLSA-N 0 3 369.487 1.758 20 10 FDCDHN COc1cc(Cl)cc(CN2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000289381605 676127343 /nfs/dbraw/zinc/12/73/43/676127343.db2.gz CPCAPSRIKQYBMD-UHFFFAOYSA-N 0 3 353.806 1.570 20 10 FDCDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1[O-] ZINC000367782356 677495699 /nfs/dbraw/zinc/49/56/99/677495699.db2.gz KGEAHJSDQNXYPU-CQSZACIVSA-N 0 3 369.487 1.084 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccsc2)N(C)C)cc1 ZINC000891247154 774092431 /nfs/dbraw/zinc/09/24/31/774092431.db2.gz GBGYDYJNLAKWBS-KRWDZBQOSA-N 0 3 374.510 1.963 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn(CC3CC3)nn2)N(C)C)cc1 ZINC000891247773 774098966 /nfs/dbraw/zinc/09/89/66/774098966.db2.gz KGKBZQMTNFAQQY-SFHVURJKSA-N 0 3 356.474 1.787 20 10 FDCDHN Cc1cc(C)n(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(=O)n1 ZINC000891249335 774105774 /nfs/dbraw/zinc/10/57/74/774105774.db2.gz RAKDQXFKAJMYRX-SFHVURJKSA-N 0 3 371.485 1.345 20 10 FDCDHN COc1ncc(/C=C\C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891248980 774113514 /nfs/dbraw/zinc/11/35/14/774113514.db2.gz OPOWLIBXPPPVCD-SNMSSPIJSA-N 0 3 369.469 1.984 20 10 FDCDHN C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1cc(F)ccc1[O-] ZINC000363854033 794264650 /nfs/dbraw/zinc/26/46/50/794264650.db2.gz LPQCWZFLCPQGSQ-WMLDXEAASA-N 0 3 365.449 1.505 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000893642869 808452394 /nfs/dbraw/zinc/45/23/94/808452394.db2.gz QEFUQOOECMQHOD-LPHOPBHVSA-N 0 3 370.501 1.935 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419710754 812101641 /nfs/dbraw/zinc/10/16/41/812101641.db2.gz RBLUQNONJOHDQN-UKRRQHHQSA-N 0 3 372.469 1.332 20 10 FDCDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1(F)F ZINC000895334204 822493068 /nfs/dbraw/zinc/49/30/68/822493068.db2.gz LMIOXMULWDVPIV-HOTGVXAUSA-N 0 3 354.397 1.792 20 10 FDCDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841100936 828667836 /nfs/dbraw/zinc/66/78/36/828667836.db2.gz PEOMCBOLPAQDBX-UHFFFAOYSA-N 0 3 358.417 1.937 20 10 FDCDHN CCN(CCC(=O)NC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095413 845756497 /nfs/dbraw/zinc/75/64/97/845756497.db2.gz JSNPSDVALGHZSH-KRWDZBQOSA-N 0 3 363.506 1.523 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@]23CCOC3=O)N(C)C)cc1 ZINC000899101522 845773616 /nfs/dbraw/zinc/77/36/16/845773616.db2.gz ISFHETRAJYNOHO-XLIONFOSSA-N 0 3 374.485 1.846 20 10 FDCDHN C[C@@H]1c2nncn2CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103389 845776313 /nfs/dbraw/zinc/77/63/13/845776313.db2.gz LIPLPYQJXVDTIA-RHSMWYFYSA-N 0 3 371.489 1.733 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(=O)N(CC3CC3)C2)N(C)C)cc1 ZINC000899099181 845793758 /nfs/dbraw/zinc/79/37/58/845793758.db2.gz WNNUUGAGNHEETC-GOSISDBHSA-N 0 3 373.501 1.577 20 10 FDCDHN COC[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100612 845797506 /nfs/dbraw/zinc/79/75/06/845797506.db2.gz AYTQPBMVDCFSLT-IRXDYDNUSA-N 0 3 352.479 1.052 20 10 FDCDHN COC(=O)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100787 845797801 /nfs/dbraw/zinc/79/78/01/845797801.db2.gz DDRDKAQJWAKWAT-RDJZCZTQSA-N 0 3 362.474 1.560 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC[C@H](O)C3(O)CCC3)cc2F)C[C@@H](C)O1 ZINC000905054577 851614637 /nfs/dbraw/zinc/61/46/37/851614637.db2.gz JPNGIDSIPBXSRC-LBTNJELSSA-N 0 3 352.450 1.805 20 10 FDCDHN O[C@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)CCCC1 ZINC000905144821 851702378 /nfs/dbraw/zinc/70/23/78/851702378.db2.gz KJLVBSVZCRAZSB-GOSISDBHSA-N 0 3 352.450 1.542 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000906772961 853298528 /nfs/dbraw/zinc/29/85/28/853298528.db2.gz RIERUYLAKJXJOF-SFHVURJKSA-N 0 3 369.469 1.692 20 10 FDCDHN CSCCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929327507 881265279 /nfs/dbraw/zinc/26/52/79/881265279.db2.gz JBPXXLHGCLUTJB-INIZCTEOSA-N 0 3 366.531 1.341 20 10 FDCDHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000917678424 883682024 /nfs/dbraw/zinc/68/20/24/883682024.db2.gz WGDOJZJZKWKNKA-UHFFFAOYSA-N 0 3 366.437 1.273 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)[C@H]3CCCc4nn[nH]c43)cc2)CC1 ZINC000918847050 884967095 /nfs/dbraw/zinc/96/70/95/884967095.db2.gz XBWHANKDGXIXHR-INIZCTEOSA-N 0 3 354.458 1.293 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734285333 923181955 /nfs/dbraw/zinc/18/19/55/923181955.db2.gz KFGYCRINPWSESG-QGZVFWFLSA-N 0 3 358.486 1.901 20 10 FDCDHN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCN(C2CC2)C1 ZINC000769823714 929686454 /nfs/dbraw/zinc/68/64/54/929686454.db2.gz NCWFCOWLCXCGBE-CYBMUJFWSA-N 0 3 353.444 1.072 20 10 FDCDHN O=C(CN[C@@H](CO)C1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000771807869 930920034 /nfs/dbraw/zinc/92/00/34/930920034.db2.gz MLERQHDIFRDJMG-SFHVURJKSA-N 0 3 364.401 1.761 20 10 FDCDHN CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000772602524 931396210 /nfs/dbraw/zinc/39/62/10/931396210.db2.gz ZSFNUIJSWJDXFS-QGZVFWFLSA-N 0 3 367.515 1.284 20 10 FDCDHN CN1CCN(c2ccc(CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000775649666 970906338 /nfs/dbraw/zinc/90/63/38/970906338.db2.gz MRLORPIVLJTFPB-LJQANCHMSA-N 0 3 363.527 1.590 20 10 FDCDHN CN(C)c1ccc(CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C2CC2)cc1 ZINC000817763964 942956197 /nfs/dbraw/zinc/95/61/97/942956197.db2.gz LJVMMEKRSPZYRK-LJQANCHMSA-N 0 3 372.513 1.796 20 10 FDCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000817830457 943038609 /nfs/dbraw/zinc/03/86/09/943038609.db2.gz AJYVIIGTTZVJDC-IBGZPJMESA-N 0 3 370.497 1.620 20 10 FDCDHN C[C@](O)(CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000818967969 943385777 /nfs/dbraw/zinc/38/57/77/943385777.db2.gz HEIZOOKCSVXWNL-BBRMVZONSA-N 0 3 359.392 1.791 20 10 FDCDHN CN1CCN(CCCCN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819164592 943456638 /nfs/dbraw/zinc/45/66/38/943456638.db2.gz KQNPJYMXCHTEFA-UHFFFAOYSA-N 0 3 360.458 1.184 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](c3ccncc3)C1)cc2=O ZINC000821269078 944405521 /nfs/dbraw/zinc/40/55/21/944405521.db2.gz CLNASXYWFMALRE-AWEZNQCLSA-N 0 3 367.409 1.996 20 10 FDCDHN O=C(c1cc(O)c([O-])c(O)c1)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001148581711 952757134 /nfs/dbraw/zinc/75/71/34/952757134.db2.gz SAZOYMBUBGDGMF-UHFFFAOYSA-N 0 3 364.442 1.768 20 10 FDCDHN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000852186511 967070056 /nfs/dbraw/zinc/07/00/56/967070056.db2.gz GGVGBEHTQRQBHX-INIZCTEOSA-N 0 3 358.486 1.684 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H]4COC[C@@]4(C)C3)CC2)cc1 ZINC000852532890 967402629 /nfs/dbraw/zinc/40/26/29/967402629.db2.gz RMNMZBQPLSDTJM-OXJNMPFZSA-N 0 3 359.470 1.312 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)C2)cc1 ZINC000852844737 967651647 /nfs/dbraw/zinc/65/16/47/967651647.db2.gz ZHELTHOAVQPUMV-MUMXORNYSA-N 0 3 373.497 1.923 20 10 FDCDHN COC(=O)C1CCN(C(=O)CN[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000775371258 967739625 /nfs/dbraw/zinc/73/96/25/967739625.db2.gz WBWLHSLHYFSJBD-LBPRGKRZSA-N 0 3 350.415 1.463 20 10 FDCDHN CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855161294 970189147 /nfs/dbraw/zinc/18/91/47/970189147.db2.gz NPHOSFHADAUJQA-GFCCVEGCSA-N 0 3 369.487 1.614 20 10 FDCDHN CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855161294 970189150 /nfs/dbraw/zinc/18/91/50/970189150.db2.gz NPHOSFHADAUJQA-GFCCVEGCSA-N 0 3 369.487 1.614 20 10 FDCDHN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850803738 978677446 /nfs/dbraw/zinc/67/74/46/978677446.db2.gz SKGRJZNCVBOXDH-SFHVURJKSA-N 0 3 369.421 1.650 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)C3(N)Cc4ccccc4C3)C2)cc1 ZINC000851640478 978981876 /nfs/dbraw/zinc/98/18/76/978981876.db2.gz VXFFPZYKZYXRQM-KRWDZBQOSA-N 0 3 351.450 1.886 20 10 FDCDHN CS(=O)(=O)NCCNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796276134 1014920492 /nfs/dbraw/zinc/92/04/92/1014920492.db2.gz JSISSHSVMPMFEI-UHFFFAOYSA-N 0 3 359.495 1.888 20 10 FDCDHN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)c1 ZINC000861491429 983745913 /nfs/dbraw/zinc/74/59/13/983745913.db2.gz PWKYGVDDKKURJM-UHFFFAOYSA-N 0 3 371.393 1.138 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1F ZINC000862364893 984359815 /nfs/dbraw/zinc/35/98/15/984359815.db2.gz IVTWNBFOQSAXIP-KZULUSFZSA-N 0 3 366.412 1.983 20 10 FDCDHN COc1ccc(N2CCN(CCCNCc3nccnc3OC)CC2)cc1 ZINC000294679831 988528073 /nfs/dbraw/zinc/52/80/73/988528073.db2.gz FADSBKTTXBJREP-UHFFFAOYSA-N 0 3 371.485 1.796 20 10 FDCDHN COc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1Cn1cccn1 ZINC000873133790 988596871 /nfs/dbraw/zinc/59/68/71/988596871.db2.gz KFLVEFUAJBZPAW-INIZCTEOSA-N 0 3 364.471 1.064 20 10 FDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCN1CCN(c3ncccn3)CC1)CC2 ZINC000295955032 988852778 /nfs/dbraw/zinc/85/27/78/988852778.db2.gz LUQCQGDUEZJZCM-KRWDZBQOSA-N 0 3 353.470 1.971 20 10 FDCDHN CN1CCCc2cc(CNC(=O)NC[C@H]3CN4CCC[C@H]4CO3)ccc21 ZINC000369031791 989021228 /nfs/dbraw/zinc/02/12/28/989021228.db2.gz XIQIFLLVNHQDCO-ROUUACIJSA-N 0 3 358.486 1.731 20 10 FDCDHN C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000874835247 990559285 /nfs/dbraw/zinc/55/92/85/990559285.db2.gz XSEMLFCZYDILFJ-KBPBESRZSA-N 0 3 353.444 1.072 20 10 FDCDHN C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000874835247 990559292 /nfs/dbraw/zinc/55/92/92/990559292.db2.gz XSEMLFCZYDILFJ-KBPBESRZSA-N 0 3 353.444 1.072 20 10 FDCDHN NS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876720522 992831931 /nfs/dbraw/zinc/83/19/31/992831931.db2.gz JWXYEKRMQGGPSJ-INIZCTEOSA-N 0 3 367.515 1.148 20 10 FDCDHN COCCNS(=O)(=O)c1cccc(CNCc2ccc(C)cc2O)c1 ZINC000877049046 993029898 /nfs/dbraw/zinc/02/98/98/993029898.db2.gz SQPJQNVENRPLRJ-UHFFFAOYSA-N 0 3 364.467 1.915 20 10 FDCDHN COCCNS(=O)(=O)c1cccc(CNCc2c(C)cccc2O)c1 ZINC000877050422 993031160 /nfs/dbraw/zinc/03/11/60/993031160.db2.gz ZSKJJCQMGOADPL-UHFFFAOYSA-N 0 3 364.467 1.915 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000375518010 993209653 /nfs/dbraw/zinc/20/96/53/993209653.db2.gz DMJLZDMHGJTZBG-SJORKVTESA-N 0 3 358.442 1.615 20 10 FDCDHN CCCOc1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000375518010 993209663 /nfs/dbraw/zinc/20/96/63/993209663.db2.gz DMJLZDMHGJTZBG-SJORKVTESA-N 0 3 358.442 1.615 20 10 FDCDHN O=c1cc(N2CCOCC2)cnn1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000375566410 993236836 /nfs/dbraw/zinc/23/68/36/993236836.db2.gz PCRBVDANVAKGOX-KRWDZBQOSA-N 0 3 370.453 1.623 20 10 FDCDHN O=c1cc(N2CCOCC2)cnn1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000375566410 993236842 /nfs/dbraw/zinc/23/68/42/993236842.db2.gz PCRBVDANVAKGOX-KRWDZBQOSA-N 0 3 370.453 1.623 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3CSC[C@@H]3C1)cc2=O ZINC000879562897 995011830 /nfs/dbraw/zinc/01/18/30/995011830.db2.gz NSSCZZIZXHZDAT-RYUDHWBXSA-N 0 3 362.455 1.797 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@H]3CCN(C)[C@H]3C)CC2)cc1F ZINC000925330140 995500786 /nfs/dbraw/zinc/50/07/86/995500786.db2.gz RHPLFXUPDZXSLF-BBRMVZONSA-N 0 3 350.438 1.759 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CNCCO3)cc2F)C[C@H](C)O1 ZINC000269252777 999465990 /nfs/dbraw/zinc/46/59/90/999465990.db2.gz QLYHKIMUIOXKEC-IJEWVQPXSA-N 0 3 365.449 1.434 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cc(=O)n(C)cn2)N(C)C)cc1 ZINC000931757483 1004475111 /nfs/dbraw/zinc/47/51/11/1004475111.db2.gz VEMFPGGXBQQWNP-HNNXBMFYSA-N 0 3 358.446 1.271 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](C3CC3)C2)N(C)C)cc1 ZINC000934318766 1005731939 /nfs/dbraw/zinc/73/19/39/1005731939.db2.gz CSKAUNYXWJWRTG-IEBWSBKVSA-N 0 3 372.513 1.730 20 10 FDCDHN CN(C)CCN1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC1=O ZINC000156316702 1006797582 /nfs/dbraw/zinc/79/75/82/1006797582.db2.gz IJGYPSWJHTVYOL-OAHLLOKOSA-N 0 3 359.470 1.297 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000174108959 524516173 /nfs/dbraw/zinc/51/61/73/524516173.db2.gz OUESTCOJUNFFSS-QGZVFWFLSA-N 0 3 374.460 1.818 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC000152935602 525054886 /nfs/dbraw/zinc/05/48/86/525054886.db2.gz SMAZZJHVEDVKII-XLIONFOSSA-N 0 3 373.497 1.845 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000178884486 525497723 /nfs/dbraw/zinc/49/77/23/525497723.db2.gz KZFGKFOQSRSMIK-SFHVURJKSA-N 0 3 370.501 1.715 20 10 FDCDHN COc1ccc(O)c(CNCCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000181035650 525796673 /nfs/dbraw/zinc/79/66/73/525796673.db2.gz ZZZYKHCIPAAZNK-UHFFFAOYSA-N 0 3 350.440 1.777 20 10 FDCDHN CCN(C)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000120754359 526171626 /nfs/dbraw/zinc/17/16/26/526171626.db2.gz ALXYBXOUXZCXSC-UHFFFAOYSA-N 0 3 352.454 1.538 20 10 FDCDHN C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccccc1[O-] ZINC000109771958 526182804 /nfs/dbraw/zinc/18/28/04/526182804.db2.gz XRJSPRFWJZTFTF-UHFFFAOYSA-N 0 3 354.454 1.958 20 10 FDCDHN C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccccc1[O-] ZINC000109771958 526182815 /nfs/dbraw/zinc/18/28/15/526182815.db2.gz XRJSPRFWJZTFTF-UHFFFAOYSA-N 0 3 354.454 1.958 20 10 FDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288168450 537460805 /nfs/dbraw/zinc/46/08/05/537460805.db2.gz ZYSGTCOQGHZQLW-IBGZPJMESA-N 0 3 370.497 1.670 20 10 FDCDHN CC1CCN(c2ccc(CNC(=O)[C@@H]3CN4CCN3CCC4)cc2)CC1 ZINC000367054259 537927905 /nfs/dbraw/zinc/92/79/05/537927905.db2.gz WSROAVSGOGMYON-FQEVSTJZSA-N 0 3 356.514 1.929 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000572793888 549996054 /nfs/dbraw/zinc/99/60/54/549996054.db2.gz XKDCMIMFXJDIQD-YOEHRIQHSA-N 0 3 370.497 1.948 20 10 FDCDHN COc1ccc(O)c([C@@H](C)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000375256279 678098681 /nfs/dbraw/zinc/09/86/81/678098681.db2.gz OUIZUCYKIBDTJE-HIFRSBDPSA-N 0 3 354.472 1.962 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)N(C)C)cc1 ZINC000891247056 774091631 /nfs/dbraw/zinc/09/16/31/774091631.db2.gz HAVGXEBIBAEAQQ-DOTOQJQBSA-N 0 3 356.474 1.710 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2nc(C3CC3)nn2C)N(C)C)cc1 ZINC000891248277 774102473 /nfs/dbraw/zinc/10/24/73/774102473.db2.gz XKBCEONANUDPJM-KRWDZBQOSA-N 0 3 370.501 1.720 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)N(C)C)cc1 ZINC000891250190 774120958 /nfs/dbraw/zinc/12/09/58/774120958.db2.gz VGUYYDCOOACOPE-DOTOQJQBSA-N 0 3 371.489 1.111 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)N(C)C)cc1 ZINC000891250197 774121873 /nfs/dbraw/zinc/12/18/73/774121873.db2.gz VGUYYDCOOACOPE-WBVHZDCISA-N 0 3 371.489 1.111 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)N(C)C)cc1 ZINC000891251521 774133885 /nfs/dbraw/zinc/13/38/85/774133885.db2.gz FURXYAJFOAFEHN-HNAYVOBHSA-N 0 3 355.486 2.000 20 10 FDCDHN COc1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)c(O)c1OC ZINC000891926063 780215468 /nfs/dbraw/zinc/21/54/68/780215468.db2.gz KFHRIEQWWACKQL-UHFFFAOYSA-N 0 3 363.458 1.149 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(C)C2=O)N(C)C)cc1 ZINC000893417998 802603883 /nfs/dbraw/zinc/60/38/83/802603883.db2.gz FVZAYANVSYPKMG-IAGOWNOFSA-N 0 3 361.490 1.275 20 10 FDCDHN O=C(CNC[C@H]1CCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000238171297 809560230 /nfs/dbraw/zinc/56/02/30/809560230.db2.gz NCQQXUVQOVUDJI-LJQANCHMSA-N 0 3 361.486 1.280 20 10 FDCDHN COC(=O)c1c(CNC[C@@H](O)COCC2CC2)c2cc(F)ccc2n1C ZINC000894221848 811375088 /nfs/dbraw/zinc/37/50/88/811375088.db2.gz XNYDEYSFXHFYSZ-CQSZACIVSA-N 0 3 364.417 1.981 20 10 FDCDHN COC(=O)c1c(CNC[C@H](O)C2CCOCC2)c2cc(F)ccc2n1C ZINC000894268940 814792570 /nfs/dbraw/zinc/79/25/70/814792570.db2.gz NYRTVHAYHGYCRP-KRWDZBQOSA-N 0 3 364.417 1.981 20 10 FDCDHN COC(=O)c1c(CN[C@@H](C)[C@H]2CN(C)CCO2)c2cc(F)ccc2n1C ZINC000894346739 817430774 /nfs/dbraw/zinc/43/07/74/817430774.db2.gz WVAPSYIAWULSQB-YVEFUNNKSA-N 0 3 363.433 1.913 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCN(CCCO)C1 ZINC000297309296 820693472 /nfs/dbraw/zinc/69/34/72/820693472.db2.gz QUOGLQXFBVBVET-SFHVURJKSA-N 0 3 358.486 1.709 20 10 FDCDHN COCC(COC)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895192946 821648029 /nfs/dbraw/zinc/64/80/29/821648029.db2.gz NAHZSUWGJOEVHV-KRWDZBQOSA-N 0 3 352.479 1.316 20 10 FDCDHN Cn1nccc1[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000897557869 839514699 /nfs/dbraw/zinc/51/46/99/839514699.db2.gz CEIVPSNAVDOPCR-FQEVSTJZSA-N 0 3 355.486 1.745 20 10 FDCDHN O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)C2)nc[n-]1 ZINC000898155189 840834058 /nfs/dbraw/zinc/83/40/58/840834058.db2.gz MOIDMIKXESWNHI-OAHLLOKOSA-N 0 3 373.432 1.526 20 10 FDCDHN CN(C)c1ccc([C@@H](CNCc2cn(C[C@@H]3CCOC3)nn2)N(C)C)cc1 ZINC000898447195 844713567 /nfs/dbraw/zinc/71/35/67/844713567.db2.gz GSHRAFKWZQYZCM-OXJNMPFZSA-N 0 3 372.517 1.773 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)c2ccnn2C)N(C)C)cc1 ZINC000899097096 845759030 /nfs/dbraw/zinc/75/90/30/845759030.db2.gz ZUXHWSRASWUMPX-QZTJIDSGSA-N 0 3 374.489 1.122 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000842233325 845774609 /nfs/dbraw/zinc/77/46/09/845774609.db2.gz QLYWSKBXFDWHTO-LJQANCHMSA-N 0 3 368.481 1.917 20 10 FDCDHN Cc1nnc([C@@H](C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000899104932 845778217 /nfs/dbraw/zinc/77/82/17/845778217.db2.gz SVJLSLAVKSUSDG-MLGOLLRUSA-N 0 3 359.478 1.842 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCN(C)C2=O)N(C)C)cc1 ZINC000899101152 845798618 /nfs/dbraw/zinc/79/86/18/845798618.db2.gz FOGNUUAKZPPAAW-IAGOWNOFSA-N 0 3 361.490 1.227 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CCn2cccn2)N(C)C)cc1 ZINC000899100871 845798835 /nfs/dbraw/zinc/79/88/35/845798835.db2.gz FIYZVARCDFYOJS-SFHVURJKSA-N 0 3 358.490 1.893 20 10 FDCDHN CN1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000912160318 859427518 /nfs/dbraw/zinc/42/75/18/859427518.db2.gz PUVCTVYXXNVVJN-MRXNPFEDSA-N 0 3 364.465 1.946 20 10 FDCDHN CSCCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929327508 881264594 /nfs/dbraw/zinc/26/45/94/881264594.db2.gz JBPXXLHGCLUTJB-MRXNPFEDSA-N 0 3 366.531 1.341 20 10 FDCDHN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000734073868 922893282 /nfs/dbraw/zinc/89/32/82/922893282.db2.gz YUTUDZIRIOKJIZ-UHFFFAOYSA-N 0 3 357.410 1.717 20 10 FDCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000746148430 927640179 /nfs/dbraw/zinc/64/01/79/927640179.db2.gz WTCZOKSZMNIYJR-SOLBZPMBSA-N 0 3 372.513 1.877 20 10 FDCDHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C ZINC000769910422 929732005 /nfs/dbraw/zinc/73/20/05/929732005.db2.gz KUTVBORZYOIARP-JSGCOSHPSA-N 0 3 369.487 1.709 20 10 FDCDHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C ZINC000769910422 929732007 /nfs/dbraw/zinc/73/20/07/929732007.db2.gz KUTVBORZYOIARP-JSGCOSHPSA-N 0 3 369.487 1.709 20 10 FDCDHN C[C@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787668904 932363082 /nfs/dbraw/zinc/36/30/82/932363082.db2.gz IJSVSHDQNUFASD-CVEARBPZSA-N 0 3 360.502 1.778 20 10 FDCDHN COc1ccc(O)c(CNS(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000790027549 933327019 /nfs/dbraw/zinc/32/70/19/933327019.db2.gz VVRKKTFBBBUVCF-UHFFFAOYSA-N 0 3 350.440 1.941 20 10 FDCDHN COC(=O)CC1(NCc2ccc(N(C)C)c(C)c2)CCS(=O)(=O)CC1 ZINC000815099316 941783799 /nfs/dbraw/zinc/78/37/99/941783799.db2.gz GKYKMUBBBVCRRU-UHFFFAOYSA-N 0 3 368.499 1.661 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C[C@H](CO)C3)CC2)cc1 ZINC000817277419 942677981 /nfs/dbraw/zinc/67/79/81/942677981.db2.gz HWNCGAJEJHKSRV-SJORKVTESA-N 0 3 361.486 1.294 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cnccc3C)CC2)cc1 ZINC000819349254 943536842 /nfs/dbraw/zinc/53/68/42/943536842.db2.gz JULIBCRZVCRDDY-FQEVSTJZSA-N 0 3 370.497 1.671 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)CN(C)CC(C)(C)C)cc2)CC1 ZINC000822320396 944937608 /nfs/dbraw/zinc/93/76/08/944937608.db2.gz HVZUKHDEVSIXPJ-UHFFFAOYSA-N 0 3 374.529 1.949 20 10 FDCDHN Cn1cc(CN2CCN(Cc3ccc(N4CCN(C)CC4)cc3)CC2)cn1 ZINC000775679283 971374431 /nfs/dbraw/zinc/37/44/31/971374431.db2.gz UVXVBGMYDGXKIX-UHFFFAOYSA-N 0 3 368.529 1.490 20 10 FDCDHN CN(C)CC(=O)N[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC001203649823 964844903 /nfs/dbraw/zinc/84/49/03/964844903.db2.gz HRODJSLKWHWRSB-CQSZACIVSA-N 0 3 370.291 1.797 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000852314259 967212316 /nfs/dbraw/zinc/21/23/16/967212316.db2.gz FHLHHGYFBCNKNN-QGZVFWFLSA-N 0 3 356.474 1.325 20 10 FDCDHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775374463 967754843 /nfs/dbraw/zinc/75/48/43/967754843.db2.gz CAQDTADCWQSWAJ-BBRMVZONSA-N 0 3 364.442 1.996 20 10 FDCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCS(=O)(=O)C3)cc2)C1 ZINC000775376165 967755895 /nfs/dbraw/zinc/75/58/95/967755895.db2.gz OVZRCMTZWXVRMU-JKSUJKDBSA-N 0 3 365.499 1.055 20 10 FDCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000775834054 972975891 /nfs/dbraw/zinc/97/58/91/972975891.db2.gz OQFNFAGMDAOSMJ-VNHYZAJKSA-N 0 3 353.488 1.095 20 10 FDCDHN Cc1ncc(S(=O)(=O)NC2CCN(Cc3ccccc3O)CC2)n1C ZINC001198425807 973090721 /nfs/dbraw/zinc/09/07/21/973090721.db2.gz IORNISOLTYDMQB-UHFFFAOYSA-N 0 3 364.471 1.377 20 10 FDCDHN COc1cc(O)c(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1OC ZINC000776223969 975182594 /nfs/dbraw/zinc/18/25/94/975182594.db2.gz QIPJCYZQHUCXJP-BXUZGUMPSA-N 0 3 360.414 1.427 20 10 FDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000847366657 975537587 /nfs/dbraw/zinc/53/75/87/975537587.db2.gz LBJWZLLEFWVEOA-DOTOQJQBSA-N 0 3 358.486 1.346 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000848554929 976902514 /nfs/dbraw/zinc/90/25/14/976902514.db2.gz GPWCLAPNSPRGSN-LDYMZIIASA-N 0 3 371.231 1.961 20 10 FDCDHN COc1ccc(N2CCN(C(=O)Cn3cc([C@H](N)C(C)C)nn3)CC2)cc1 ZINC000881023965 979591892 /nfs/dbraw/zinc/59/18/92/979591892.db2.gz TYTLLKFZRBILDH-LJQANCHMSA-N 0 3 372.473 1.291 20 10 FDCDHN CCN(CCO)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000187249033 981919118 /nfs/dbraw/zinc/91/91/18/981919118.db2.gz NKQPXRVYNVWFCK-UHFFFAOYSA-N 0 3 364.490 1.277 20 10 FDCDHN Nc1nc(N)nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000858353256 982000920 /nfs/dbraw/zinc/00/09/20/982000920.db2.gz JXXSCWYOPLWNDO-UHFFFAOYSA-N 0 3 369.351 1.504 20 10 FDCDHN C[C@@H]1C[C@H]([NH2+]CCc2nnc3c(=O)n(C)ccn23)c2c1c(F)ccc2[O-] ZINC000886699047 986483485 /nfs/dbraw/zinc/48/34/85/986483485.db2.gz RWLCIJGYKHLPDV-PWSUYJOCSA-N 0 3 357.389 1.653 20 10 FDCDHN C[C@H](NCCN1CCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000886743276 986536997 /nfs/dbraw/zinc/53/69/97/986536997.db2.gz ZIJMGNRNMGAMQT-ZDUSSCGKSA-N 0 3 352.866 1.852 20 10 FDCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1[O-] ZINC000872714963 988003323 /nfs/dbraw/zinc/00/33/23/988003323.db2.gz VPZSQGHYIMXDEK-IYBDPMFKSA-N 0 3 368.389 1.379 20 10 FDCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1[O-] ZINC000872714963 988003331 /nfs/dbraw/zinc/00/33/31/988003331.db2.gz VPZSQGHYIMXDEK-IYBDPMFKSA-N 0 3 368.389 1.379 20 10 FDCDHN COc1cc(CN2CCC(S(N)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825634529 988214149 /nfs/dbraw/zinc/21/41/49/988214149.db2.gz OAJRXFCDQNVSLV-UHFFFAOYSA-N 0 3 356.488 1.951 20 10 FDCDHN COC(=O)CCNC(=O)CN(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000369815662 989209174 /nfs/dbraw/zinc/20/91/74/989209174.db2.gz DIJJSQWIQLEQLW-UHFFFAOYSA-N 0 3 363.458 1.275 20 10 FDCDHN CCO[C@@H]1C[C@](CO)(NCC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000298615170 990197924 /nfs/dbraw/zinc/19/79/24/990197924.db2.gz UERASMLGUXNFCS-YLJYHZDGSA-N 0 3 363.502 1.525 20 10 FDCDHN COc1ccc(N2CCC(N(C)C(=O)[C@@H](N)C3CCOCC3)CC2)cc1 ZINC000374600958 992907041 /nfs/dbraw/zinc/90/70/41/992907041.db2.gz GDIHBKZTEZXNFF-IBGZPJMESA-N 0 3 361.486 1.876 20 10 FDCDHN O=C1[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1C1CCOCC1 ZINC000877077359 993038675 /nfs/dbraw/zinc/03/86/75/993038675.db2.gz FJTDEABZOOHDSE-FQEVSTJZSA-N 0 3 373.497 1.517 20 10 FDCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c1 ZINC000926965635 996377337 /nfs/dbraw/zinc/37/73/37/996377337.db2.gz VBZQAOLIEUOUGG-OAHLLOKOSA-N 0 3 355.438 1.784 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1[C@@H](O)CC)cc2=O ZINC000265072117 997689236 /nfs/dbraw/zinc/68/92/36/997689236.db2.gz WPVGELOCJSFOSZ-GJZGRUSLSA-N 0 3 362.430 1.737 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)N3CCN(C)C(C)(C)C3)cc2)CC1 ZINC000889659281 998508554 /nfs/dbraw/zinc/50/85/54/998508554.db2.gz TWHCAWIWSJKIJO-UHFFFAOYSA-N 0 3 359.518 1.674 20 10 FDCDHN C[C@H](NC[C@H]1CN=C(c2cnn(C)c2)O1)c1ccc(N2CCOCC2)cc1 ZINC000930209144 1002929394 /nfs/dbraw/zinc/92/93/94/1002929394.db2.gz AZTZSGZYAQTMLK-KXBFYZLASA-N 0 3 369.469 1.753 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H](C3CC3)C2)N(C)C)cc1 ZINC000934318767 1005732002 /nfs/dbraw/zinc/73/20/02/1005732002.db2.gz CSKAUNYXWJWRTG-MJGOQNOKSA-N 0 3 372.513 1.730 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)Cn3ccnc3C)CC2)cc1 ZINC000194116292 1011132106 /nfs/dbraw/zinc/13/21/06/1011132106.db2.gz FWIVBBQVCUDVBS-UHFFFAOYSA-N 0 3 371.485 1.529 20 10 FDCDHN CS(=O)(=O)C1(CNCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000796514865 1017441544 /nfs/dbraw/zinc/44/15/44/1017441544.db2.gz IOUPMZYDWPVEEP-UHFFFAOYSA-N 0 3 352.500 1.970 20 10 FDCDHN C[NH+](C)C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1 ZINC000055249664 523779783 /nfs/dbraw/zinc/77/97/83/523779783.db2.gz UFNQNWHYGGWWBX-UHFFFAOYSA-N 0 3 355.460 1.368 20 10 FDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1OC ZINC000160184470 524827769 /nfs/dbraw/zinc/82/77/69/524827769.db2.gz QTUXDOABLMFXLP-OAHLLOKOSA-N 0 3 350.459 1.954 20 10 FDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1OC ZINC000160184470 524827774 /nfs/dbraw/zinc/82/77/74/524827774.db2.gz QTUXDOABLMFXLP-OAHLLOKOSA-N 0 3 350.459 1.954 20 10 FDCDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000116792851 525222047 /nfs/dbraw/zinc/22/20/47/525222047.db2.gz IIHIOXHZQRUQPP-MEQKGCOVSA-N 0 3 359.470 1.325 20 10 FDCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 ZINC000130608238 525777726 /nfs/dbraw/zinc/77/77/26/525777726.db2.gz IXPOPJKJNUPCLC-UHFFFAOYSA-N 0 3 368.499 1.763 20 10 FDCDHN C[C@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034127 525793482 /nfs/dbraw/zinc/79/34/82/525793482.db2.gz UEPFDFATXYFITC-WMZOPIPTSA-N 0 3 360.502 1.336 20 10 FDCDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(O)c1O ZINC000182619334 535833836 /nfs/dbraw/zinc/83/38/36/535833836.db2.gz SJPOZTSNSFYHEI-MRXNPFEDSA-N 0 3 356.422 1.555 20 10 FDCDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1[O-] ZINC000183611808 536014328 /nfs/dbraw/zinc/01/43/28/536014328.db2.gz UTOMQOCQPHWESJ-CYBMUJFWSA-N 0 3 364.471 1.630 20 10 FDCDHN COc1ccc(O)c(CN[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000184981650 536194766 /nfs/dbraw/zinc/19/47/66/536194766.db2.gz XVTGSMMIWQQHBK-IBGZPJMESA-N 0 3 370.449 1.961 20 10 FDCDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000186019875 536223667 /nfs/dbraw/zinc/22/36/67/536223667.db2.gz MIIUNNHOLJCWKI-LSDHHAIUSA-N 0 3 356.488 1.840 20 10 FDCDHN CNS(=O)(=O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000188534915 536295658 /nfs/dbraw/zinc/29/56/58/536295658.db2.gz LVIVHFLCZNHFPV-UHFFFAOYSA-N 0 3 350.440 1.610 20 10 FDCDHN CN(C)c1ccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000266557278 536902473 /nfs/dbraw/zinc/90/24/73/536902473.db2.gz JCAGCYXIFYTDST-GOSISDBHSA-N 0 3 359.430 1.883 20 10 FDCDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298893236 537357289 /nfs/dbraw/zinc/35/72/89/537357289.db2.gz AOGDNQHUUINHHV-MRXNPFEDSA-N 0 3 374.529 1.900 20 10 FDCDHN COc1ccc(O)c(CN(C)CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000294022922 537643746 /nfs/dbraw/zinc/64/37/46/537643746.db2.gz UZDOVCUJBPYNAC-UHFFFAOYSA-N 0 3 366.439 1.559 20 10 FDCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(=O)[nH]n3)cc2F)CC1 ZINC000285506346 537722717 /nfs/dbraw/zinc/72/27/17/537722717.db2.gz AKUCEQIYAAFHML-AWEZNQCLSA-N 0 3 359.449 1.902 20 10 FDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000371833921 537832915 /nfs/dbraw/zinc/83/29/15/537832915.db2.gz FPLIRZOYIMPWED-BEFAXECRSA-N 0 3 350.459 1.933 20 10 FDCDHN CCOc1ccc(O)c(CNCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000264770998 672924504 /nfs/dbraw/zinc/92/45/04/672924504.db2.gz WDNHTEMFWWNLDT-MRXNPFEDSA-N 0 3 372.487 1.369 20 10 FDCDHN C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299106388 676517463 /nfs/dbraw/zinc/51/74/63/676517463.db2.gz VSDMLAHTKCQIJE-LBPRGKRZSA-N 0 3 355.460 1.368 20 10 FDCDHN COCCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891245981 774083383 /nfs/dbraw/zinc/08/33/83/774083383.db2.gz LDEMPXVBUMDAOD-GOSISDBHSA-N 0 3 359.474 1.628 20 10 FDCDHN CNc1nnc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891247136 774092176 /nfs/dbraw/zinc/09/21/76/774092176.db2.gz FPVYRMPTRFNTAN-AWEZNQCLSA-N 0 3 362.503 1.607 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)N(C)C)cc1 ZINC000891247379 774093048 /nfs/dbraw/zinc/09/30/48/774093048.db2.gz JSAMVFMQKMEUNR-CVEARBPZSA-N 0 3 363.506 1.555 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)N(C)C)cc1 ZINC000891248186 774101775 /nfs/dbraw/zinc/10/17/75/774101775.db2.gz WTJJFJMTPZVQNQ-INIZCTEOSA-N 0 3 373.505 1.456 20 10 FDCDHN CCOC(=O)NCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252062 774125039 /nfs/dbraw/zinc/12/50/39/774125039.db2.gz FLHPHIQVEDEDQB-MRXNPFEDSA-N 0 3 350.463 1.608 20 10 FDCDHN COC(=O)NCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252742 774136821 /nfs/dbraw/zinc/13/68/21/774136821.db2.gz NKBBOYAISIWEJX-INIZCTEOSA-N 0 3 350.463 1.608 20 10 FDCDHN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254979 774152471 /nfs/dbraw/zinc/15/24/71/774152471.db2.gz LNMKAQQXAHQNKQ-SJORKVTESA-N 0 3 364.515 1.393 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1F ZINC000892486263 785182842 /nfs/dbraw/zinc/18/28/42/785182842.db2.gz TVURPUPOJAHWTB-ZWKOTPCHSA-N 0 3 364.465 1.632 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1F ZINC000892486260 785183010 /nfs/dbraw/zinc/18/30/10/785183010.db2.gz TVURPUPOJAHWTB-QZTJIDSGSA-N 0 3 364.465 1.632 20 10 FDCDHN Cc1nccnc1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895054193 819671184 /nfs/dbraw/zinc/67/11/84/819671184.db2.gz CGWIXCMPQWEBNZ-IBGZPJMESA-N 0 3 370.501 1.996 20 10 FDCDHN CCO[C@@H]1COC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895255885 822281862 /nfs/dbraw/zinc/28/18/62/822281862.db2.gz RXBSJENCECQSAN-KZNAEPCWSA-N 0 3 364.490 1.458 20 10 FDCDHN CC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895927134 823774378 /nfs/dbraw/zinc/77/43/78/823774378.db2.gz GSEHLYOLTJBACA-AEFFLSMTSA-N 0 3 361.490 1.275 20 10 FDCDHN CON(C)C(=O)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896048872 823964682 /nfs/dbraw/zinc/96/46/82/823964682.db2.gz VEXYPSJURVHLES-BBRMVZONSA-N 0 3 365.478 1.063 20 10 FDCDHN CO[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899095396 845756236 /nfs/dbraw/zinc/75/62/36/845756236.db2.gz JCVNZKXIBPGLIP-SJORKVTESA-N 0 3 350.463 1.370 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](O)C23CCC3)N(C)C)cc1 ZINC000899097773 845761323 /nfs/dbraw/zinc/76/13/23/845761323.db2.gz GOXKXGDPAWKFQZ-OKZBNKHCSA-N 0 3 360.502 1.958 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCn3cnnc3C2)N(C)C)cc1 ZINC000899101793 845773658 /nfs/dbraw/zinc/77/36/58/845773658.db2.gz MLITZJFXIMUGDM-INIZCTEOSA-N 0 3 357.462 1.172 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCCN(C=O)CC2)N(C)C)cc1 ZINC000899098997 845792788 /nfs/dbraw/zinc/79/27/88/845792788.db2.gz UJLBBVFRAVVVKV-SFHVURJKSA-N 0 3 361.490 1.229 20 10 FDCDHN C[C@H](O)[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899099245 845793676 /nfs/dbraw/zinc/79/36/76/845793676.db2.gz XMKIKPVCJODTJQ-QGTPRVQTSA-N 0 3 364.490 1.147 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)c2ccco2)N(C)C)cc1 ZINC000899100820 845797890 /nfs/dbraw/zinc/79/78/90/845797890.db2.gz FAMNCOFFGRPTTR-DLBZAZTESA-N 0 3 360.458 1.981 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)c1ccc(N(C)C)cc1 ZINC000911225538 858370273 /nfs/dbraw/zinc/37/02/73/858370273.db2.gz HBYXLLNYPRLCRY-UPRAQXHNSA-N 0 3 366.465 1.671 20 10 FDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1C ZINC000914242491 871993400 /nfs/dbraw/zinc/99/34/00/871993400.db2.gz LRYFRGCSCAMQAM-CXAGYDPISA-N 0 3 364.465 1.679 20 10 FDCDHN CN1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000918117762 884112501 /nfs/dbraw/zinc/11/25/01/884112501.db2.gz IJUDROSFCNQWTQ-KRWDZBQOSA-N 0 3 373.501 1.235 20 10 FDCDHN COc1ccc(N2CCN(CCCNc3ccncc3C(N)=O)CC2)cc1 ZINC000180006002 889106852 /nfs/dbraw/zinc/10/68/52/889106852.db2.gz QXQUUIRHEPMYCW-UHFFFAOYSA-N 0 3 369.469 1.813 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCN(Cc3ccco3)CC2)c1 ZINC000182334309 892582327 /nfs/dbraw/zinc/58/23/27/892582327.db2.gz KZVKYHJBMSBNKF-OAHLLOKOSA-N 0 3 373.453 1.989 20 10 FDCDHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000730017749 915982870 /nfs/dbraw/zinc/98/28/70/915982870.db2.gz LUCDOCDTTULQED-LBPRGKRZSA-N 0 3 363.439 1.417 20 10 FDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000742246483 925983523 /nfs/dbraw/zinc/98/35/23/925983523.db2.gz YFPRZNSYBRIVDM-GOSISDBHSA-N 0 3 374.529 1.900 20 10 FDCDHN C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392862 926039023 /nfs/dbraw/zinc/03/90/23/926039023.db2.gz UBGFJHZOKZBQGK-HNAYVOBHSA-N 0 3 369.469 1.540 20 10 FDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000804425140 938429171 /nfs/dbraw/zinc/42/91/71/938429171.db2.gz SMYLQJMVPZAOBI-MAUKXSAKSA-N 0 3 360.502 1.920 20 10 FDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804415924 938435311 /nfs/dbraw/zinc/43/53/11/938435311.db2.gz JGRFDFFLEILBKP-SFHVURJKSA-N 0 3 360.502 1.668 20 10 FDCDHN O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804731934 938557756 /nfs/dbraw/zinc/55/77/56/938557756.db2.gz ZDNDFTDENNBMHP-CYBMUJFWSA-N 0 3 368.528 1.342 20 10 FDCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000806281112 939879803 /nfs/dbraw/zinc/87/98/03/939879803.db2.gz NKOHJXBRTRRSKJ-CYBMUJFWSA-N 0 3 370.544 1.732 20 10 FDCDHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c(C)n1-c1ccccn1 ZINC000808159871 940523867 /nfs/dbraw/zinc/52/38/67/940523867.db2.gz LFHKIFHSAUBSOT-SJORKVTESA-N 0 3 354.454 1.770 20 10 FDCDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701628 940880582 /nfs/dbraw/zinc/88/05/82/940880582.db2.gz ZYZBVHDZDRNTHZ-WMZOPIPTSA-N 0 3 363.477 1.957 20 10 FDCDHN C[NH+](C)C1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000817658866 942867143 /nfs/dbraw/zinc/86/71/43/942867143.db2.gz MEQKTVKKQGPMTB-UHFFFAOYSA-N 0 3 355.460 1.366 20 10 FDCDHN C[C@H]1CN(CCCN2C(=O)CN(Cc3ccccc3O)C2=O)CCCO1 ZINC000819168340 943458627 /nfs/dbraw/zinc/45/86/27/943458627.db2.gz OASJHHXCMVSRSD-HNNXBMFYSA-N 0 3 361.442 1.657 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cc(C)nn3C)CC2)cc1 ZINC000819297088 943507333 /nfs/dbraw/zinc/50/73/33/943507333.db2.gz LGRILMYHUXRVTE-IBGZPJMESA-N 0 3 373.501 1.010 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cnc(C)o3)CC2)cc1 ZINC000819364939 943557441 /nfs/dbraw/zinc/55/74/41/943557441.db2.gz ZFFNLSZUAWAFKM-KRWDZBQOSA-N 0 3 360.458 1.264 20 10 FDCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000824677421 946675910 /nfs/dbraw/zinc/67/59/10/946675910.db2.gz DJRFGFYOHVNLFP-AWEZNQCLSA-N 0 3 359.467 1.080 20 10 FDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1Cl ZINC000825267519 947100855 /nfs/dbraw/zinc/10/08/55/947100855.db2.gz VELKHVIBXHUPBJ-INIZCTEOSA-N 0 3 353.894 1.850 20 10 FDCDHN O=C1CO[C@@H]2CN(Cc3c(O)cc(O)cc3O)C[C@H]2N1c1cccc(F)c1 ZINC001144508740 949780406 /nfs/dbraw/zinc/78/04/06/949780406.db2.gz WTEBCUVWRPOPAR-CRAIPNDOSA-N 0 3 374.368 1.559 20 10 FDCDHN Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[N@@H+]4CC[C@H]4C3)cc12 ZINC001184360679 963541398 /nfs/dbraw/zinc/54/13/98/963541398.db2.gz JCBLQLAOEIHZRQ-HNNXBMFYSA-N 0 3 371.437 1.155 20 10 FDCDHN Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[N@H+]4CC[C@H]4C3)cc12 ZINC001184360679 963541407 /nfs/dbraw/zinc/54/14/07/963541407.db2.gz JCBLQLAOEIHZRQ-HNNXBMFYSA-N 0 3 371.437 1.155 20 10 FDCDHN COCCCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774988136 964368279 /nfs/dbraw/zinc/36/82/79/964368279.db2.gz BKCWGSOEUMNIJC-UHFFFAOYSA-N 0 3 353.419 1.900 20 10 FDCDHN CCN1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256303 966983347 /nfs/dbraw/zinc/98/33/47/966983347.db2.gz WJLLRZPZBQOQNB-ZWKOTPCHSA-N 0 3 374.529 1.726 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@](O)(C4CC4)C3)CC2)cc1 ZINC000852502572 967379201 /nfs/dbraw/zinc/37/92/01/967379201.db2.gz JSBBAAXNLSNFDY-OAQYLSRUSA-N 0 3 373.497 1.581 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H]4COC[C@]4(C)C3)CC2)cc1 ZINC000852532885 967402181 /nfs/dbraw/zinc/40/21/81/967402181.db2.gz RMNMZBQPLSDTJM-JXFKEZNVSA-N 0 3 359.470 1.312 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H]4COC[C@]4(C)C3)CC2)cc1 ZINC000852532895 967402443 /nfs/dbraw/zinc/40/24/43/967402443.db2.gz RMNMZBQPLSDTJM-UZLBHIALSA-N 0 3 359.470 1.312 20 10 FDCDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnccc1N ZINC000854220957 968695895 /nfs/dbraw/zinc/69/58/95/968695895.db2.gz CVLMWWWQWFXELB-CQSZACIVSA-N 0 3 360.483 1.580 20 10 FDCDHN CCCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775643608 970748385 /nfs/dbraw/zinc/74/83/85/970748385.db2.gz SOMAGOYKZODNEX-IBGZPJMESA-N 0 3 365.543 1.838 20 10 FDCDHN CCC1(N2CCOCC2)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000863328102 972812384 /nfs/dbraw/zinc/81/23/84/972812384.db2.gz IIAQSGLGQQHOGG-SFHVURJKSA-N 0 3 362.470 1.895 20 10 FDCDHN C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000775838332 972962743 /nfs/dbraw/zinc/96/27/43/972962743.db2.gz XCJUHKSNXYHTMX-ZDUSSCGKSA-N 0 3 351.476 1.115 20 10 FDCDHN [NH3+]Cc1cc(=O)[n-]c(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000863648526 973090884 /nfs/dbraw/zinc/09/08/84/973090884.db2.gz ZLGXZGBAIGJHNN-UHFFFAOYSA-N 0 3 372.429 1.829 20 10 FDCDHN Cc1cc(N2CC[C@@H](NCc3ccc(N4CCOCC4)cc3)C2=O)n(C)n1 ZINC001200829755 974912133 /nfs/dbraw/zinc/91/21/33/974912133.db2.gz BKYQDCFHRZNZLL-GOSISDBHSA-N 0 3 369.469 1.460 20 10 FDCDHN COC(=O)Cn1cc(CCN(Cc2ccco2)Cc2ccccc2O)nn1 ZINC000121028004 975566556 /nfs/dbraw/zinc/56/65/56/975566556.db2.gz RDLOXGNNTDHPTM-UHFFFAOYSA-N 0 3 370.409 1.995 20 10 FDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c1[O-] ZINC000866554820 975784488 /nfs/dbraw/zinc/78/44/88/975784488.db2.gz USQJPSCTVXGYER-YVEFUNNKSA-N 0 3 354.834 1.632 20 10 FDCDHN COc1ccc(-n2c(C)cc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)c2C)cc1 ZINC000848307063 976590209 /nfs/dbraw/zinc/59/02/09/976590209.db2.gz CPZRXMQGNZFOLB-ZWKOTPCHSA-N 0 3 369.465 1.994 20 10 FDCDHN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](F)[C@H](N)C3)C2)cc1 ZINC000851666661 978990018 /nfs/dbraw/zinc/99/00/18/978990018.db2.gz JNQIZGMNWJAWAU-KBRIMQKVSA-N 0 3 350.438 1.602 20 10 FDCDHN COCCN(C)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852063617 979318433 /nfs/dbraw/zinc/31/84/33/979318433.db2.gz SBMOOFOPDOFRTC-UHFFFAOYSA-N 0 3 364.490 1.025 20 10 FDCDHN CN1CCN(c2ccc(CNCc3cn(C[C@@H]4CCOC4)nn3)cc2)CC1 ZINC000883282880 982042897 /nfs/dbraw/zinc/04/28/97/982042897.db2.gz JDRSNKBLKHYXFT-SFHVURJKSA-N 0 3 370.501 1.356 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H]([C@H]4CCCO4)C3)CC2)cc1 ZINC000886835689 986629525 /nfs/dbraw/zinc/62/95/25/986629525.db2.gz PIBOGYIQFPALAE-FXAWDEMLSA-N 0 3 373.497 1.845 20 10 FDCDHN COc1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1Cn1cccn1 ZINC000873048427 988477354 /nfs/dbraw/zinc/47/73/54/988477354.db2.gz AOHIFFJHOUKVFE-UHFFFAOYSA-N 0 3 366.487 1.357 20 10 FDCDHN CC[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1[O-] ZINC000373447881 992224345 /nfs/dbraw/zinc/22/43/45/992224345.db2.gz HFWWEJOXSYBSFN-MSOLQXFVSA-N 0 3 361.486 1.756 20 10 FDCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCN1C ZINC000924047123 994341355 /nfs/dbraw/zinc/34/13/55/994341355.db2.gz RGKQPMHAUXTOFN-KBXCAEBGSA-N 0 3 373.501 1.280 20 10 FDCDHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1Cc1ccc(N2CCOCC2)cc1 ZINC000924483604 994731616 /nfs/dbraw/zinc/73/16/16/994731616.db2.gz YFXJHWLGKGMIRP-SFHVURJKSA-N 0 3 372.469 1.430 20 10 FDCDHN C[C@H](NCC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000879649674 995135041 /nfs/dbraw/zinc/13/50/41/995135041.db2.gz BQCJYGDWPZPTSN-ZDUSSCGKSA-N 0 3 362.451 1.763 20 10 FDCDHN C[C@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000879649674 995135058 /nfs/dbraw/zinc/13/50/58/995135058.db2.gz BQCJYGDWPZPTSN-ZDUSSCGKSA-N 0 3 362.451 1.763 20 10 FDCDHN COc1cccc([C@@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c1O ZINC000926964850 996376446 /nfs/dbraw/zinc/37/64/46/996376446.db2.gz NYWRXRGGLRRLLQ-CQSZACIVSA-N 0 3 371.437 1.484 20 10 FDCDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283314888 999748556 /nfs/dbraw/zinc/74/85/56/999748556.db2.gz BRHLQGOLTQHYFE-CVEARBPZSA-N 0 3 360.502 1.605 20 10 FDCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000284433562 999832404 /nfs/dbraw/zinc/83/24/04/999832404.db2.gz YRXBDFBUKJLUKF-QGZVFWFLSA-N 0 3 372.513 1.751 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCC=CO2)N(C)C)cc1 ZINC000930082695 1002795244 /nfs/dbraw/zinc/79/52/44/1002795244.db2.gz UBPPIKMEBXSAAK-MSOLQXFVSA-N 0 3 374.485 1.280 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CNC1([C@@H]3CCCCO3)CC1)cc2=O ZINC000933375497 1005547691 /nfs/dbraw/zinc/54/76/91/1005547691.db2.gz QZISNVLTNMLEFL-AWEZNQCLSA-N 0 3 360.414 1.803 20 10 FDCDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779480637 1009624471 /nfs/dbraw/zinc/62/44/71/1009624471.db2.gz FYYBNLUOIKNWBM-VQHVLOKHSA-N 0 3 364.442 1.843 20 10 FDCDHN C[NH+](C)CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000271333480 674335313 /nfs/dbraw/zinc/33/53/13/674335313.db2.gz VWWNUJJBIHZGQV-OAHLLOKOSA-N 0 3 371.503 1.860 20 10 FDCDHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC1=O ZINC000074217449 522718906 /nfs/dbraw/zinc/71/89/06/522718906.db2.gz URAULDGOWUSSNA-KRWDZBQOSA-N 0 3 358.486 1.313 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066143272 522965412 /nfs/dbraw/zinc/96/54/12/522965412.db2.gz WGEVKFFKZLYLPZ-ZDUSSCGKSA-N 0 3 353.444 1.074 20 10 FDCDHN CC[C@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)N(C)C ZINC000164650938 525522151 /nfs/dbraw/zinc/52/21/51/525522151.db2.gz ABXYUUQCLAUKNT-QGZVFWFLSA-N 0 3 350.482 1.924 20 10 FDCDHN CN(C)CCn1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000183161208 535931829 /nfs/dbraw/zinc/93/18/29/535931829.db2.gz BLOKFRATWIQQFH-UHFFFAOYSA-N 0 3 358.446 1.942 20 10 FDCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000186064202 536224711 /nfs/dbraw/zinc/22/47/11/536224711.db2.gz VYTZOTFMQXDDGO-UKRRQHHQSA-N 0 3 351.422 1.115 20 10 FDCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C1CC1 ZINC000285767791 537263898 /nfs/dbraw/zinc/26/38/98/537263898.db2.gz RUDUGFYOVMJTGQ-GFCCVEGCSA-N 0 3 350.438 1.107 20 10 FDCDHN Cc1cc(O)c(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1C ZINC000368019516 537971762 /nfs/dbraw/zinc/97/17/62/537971762.db2.gz KGKYLLNEVNADGP-KRWDZBQOSA-N 0 3 368.499 1.635 20 10 FDCDHN Cc1cc(O)c(CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cc1C ZINC000372814567 538038259 /nfs/dbraw/zinc/03/82/59/538038259.db2.gz ZROXQDOHWYWGQZ-KRWDZBQOSA-N 0 3 352.500 1.750 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000584489928 551505255 /nfs/dbraw/zinc/50/52/55/551505255.db2.gz XEPPNQXZUQWJGO-UHFFFAOYSA-N 0 3 356.470 1.656 20 10 FDCDHN COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210251 608501949 /nfs/dbraw/zinc/50/19/49/608501949.db2.gz KIBMRXPLAQAYPI-APPDUMDISA-N 0 3 355.398 1.965 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(C)cc(C)c2O)C1 ZINC000192167992 672351328 /nfs/dbraw/zinc/35/13/28/672351328.db2.gz JITYFTDAKHCGQX-QGZVFWFLSA-N 0 3 370.515 1.881 20 10 FDCDHN CCOc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527756395 694689069 /nfs/dbraw/zinc/68/90/69/694689069.db2.gz ZKWKJABYIMAXJH-IBGZPJMESA-N 0 3 350.459 1.496 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](c2cncn2C)N(C)C)N(C)C)cc1 ZINC000891246729 774086071 /nfs/dbraw/zinc/08/60/71/774086071.db2.gz CKSWTXGHLVWDFE-IEBWSBKVSA-N 0 3 372.517 1.508 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891247616 774094617 /nfs/dbraw/zinc/09/46/17/774094617.db2.gz IISVHFZSGCUAGI-OAHLLOKOSA-N 0 3 360.414 1.560 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CC(=O)NCC(F)(F)F)N(C)C)cc1 ZINC000891248676 774111194 /nfs/dbraw/zinc/11/11/94/774111194.db2.gz MQSZMLCXBAEOQO-AWEZNQCLSA-N 0 3 374.407 1.540 20 10 FDCDHN CN1CCN(c2ccc(CNc3ccc4c(n3)N(C)CC(=O)N4)cc2)CC1 ZINC001167426987 774586451 /nfs/dbraw/zinc/58/64/51/774586451.db2.gz SDTUKBWCMRSBPP-UHFFFAOYSA-N 0 3 366.469 1.834 20 10 FDCDHN O=C(C[C@@H]1CNCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166292655 788678844 /nfs/dbraw/zinc/67/88/44/788678844.db2.gz IXNLKQZNUJVKNC-MRXNPFEDSA-N 0 3 369.412 1.752 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2nnnn2C2CC2)N(C)C)cc1 ZINC000893318498 795378552 /nfs/dbraw/zinc/37/85/52/795378552.db2.gz UIHAWBZJLNHBKW-INIZCTEOSA-N 0 3 372.477 1.176 20 10 FDCDHN CC[C@]1(CO)CCCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000189678939 795407930 /nfs/dbraw/zinc/40/79/30/795407930.db2.gz ULACZSBJJXCSAP-HXUWFJFHSA-N 0 3 361.486 1.581 20 10 FDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000785298625 804867570 /nfs/dbraw/zinc/86/75/70/804867570.db2.gz XAXTWSKTUSMKLC-ZDUSSCGKSA-N 0 3 371.437 1.845 20 10 FDCDHN CN(C)c1ccc([C@@H](O)c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001211704186 808941791 /nfs/dbraw/zinc/94/17/91/808941791.db2.gz PKODOGZPHNFNKV-QGZVFWFLSA-N 0 3 351.410 1.925 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2ccnn2C)N(C)C)cc1 ZINC000894216790 811271397 /nfs/dbraw/zinc/27/13/97/811271397.db2.gz JOYLFLCXAWPMRF-GOSISDBHSA-N 0 3 358.490 1.631 20 10 FDCDHN COc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1OC ZINC000271780216 814477342 /nfs/dbraw/zinc/47/73/42/814477342.db2.gz HNTGNDQAKCHALR-HNNXBMFYSA-N 0 3 363.458 1.148 20 10 FDCDHN CCN1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O ZINC000895186936 821583587 /nfs/dbraw/zinc/58/35/87/821583587.db2.gz ZIEWHUQNBBDYEG-RDJZCZTQSA-N 0 3 361.490 1.275 20 10 FDCDHN CN(C)c1n[nH]c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000896415381 824395671 /nfs/dbraw/zinc/39/56/71/824395671.db2.gz MBYYXQVICZSDBC-OAHLLOKOSA-N 0 3 374.493 1.039 20 10 FDCDHN COC(=O)[C@@H](F)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896538388 824527364 /nfs/dbraw/zinc/52/73/64/824527364.db2.gz QVEMFBRAWPSARY-GJZGRUSLSA-N 0 3 354.426 1.166 20 10 FDCDHN COC(=O)/C=C/c1ccc(N2CCN(C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000897099582 827003882 /nfs/dbraw/zinc/00/38/82/827003882.db2.gz NZGVFABSJODZBL-FNORWQNLSA-N 0 3 362.430 1.465 20 10 FDCDHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2 ZINC000898842881 845333423 /nfs/dbraw/zinc/33/34/23/845333423.db2.gz YCNCJBYYVQGSOB-GJZGRUSLSA-N 0 3 367.471 1.366 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCc3nccnc3C2)N(C)C)cc1 ZINC000899097506 845759783 /nfs/dbraw/zinc/75/97/83/845759783.db2.gz BKWDOTAIMJAQIX-LJQANCHMSA-N 0 3 368.485 1.913 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCn3cnnc3C2)N(C)C)cc1 ZINC000899101794 845773587 /nfs/dbraw/zinc/77/35/87/845773587.db2.gz MLITZJFXIMUGDM-MRXNPFEDSA-N 0 3 357.462 1.172 20 10 FDCDHN CSC[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101926 845774349 /nfs/dbraw/zinc/77/43/49/845774349.db2.gz NEJWTTPYOJFLHD-WMZOPIPTSA-N 0 3 368.547 1.769 20 10 FDCDHN C[C@H](O)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](C)CO ZINC000899102030 845774468 /nfs/dbraw/zinc/77/44/68/845774468.db2.gz JTWBOORXCVHNEE-RLFYNMQTSA-N 0 3 366.506 1.129 20 10 FDCDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H](CO)O1 ZINC000899103367 845776291 /nfs/dbraw/zinc/77/62/91/845776291.db2.gz KUJGFJNLVTYGSE-ZTFGCOKTSA-N 0 3 364.490 1.147 20 10 FDCDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H](CO)O1 ZINC000899103365 845776728 /nfs/dbraw/zinc/77/67/28/845776728.db2.gz KUJGFJNLVTYGSE-JLSDUUJJSA-N 0 3 364.490 1.147 20 10 FDCDHN Cc1noc(C2CN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)C2)n1 ZINC000899100963 845798573 /nfs/dbraw/zinc/79/85/73/845798573.db2.gz DXKNEPFEJXWNEP-QGZVFWFLSA-N 0 3 372.473 1.856 20 10 FDCDHN C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000923276885 888709187 /nfs/dbraw/zinc/70/91/87/888709187.db2.gz JDWKHXLRBAFQIM-QWHCGFSZSA-N 0 3 353.444 1.072 20 10 FDCDHN C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000923276885 888709192 /nfs/dbraw/zinc/70/91/92/888709192.db2.gz JDWKHXLRBAFQIM-QWHCGFSZSA-N 0 3 353.444 1.072 20 10 FDCDHN COCCN(C)CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000727032933 907009694 /nfs/dbraw/zinc/00/96/94/907009694.db2.gz NGKQAVAVCDXBOY-MRXNPFEDSA-N 0 3 364.490 1.462 20 10 FDCDHN CC(=O)N1CCN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000733614014 921799286 /nfs/dbraw/zinc/79/92/86/921799286.db2.gz UQCGYRRNBGFUKA-UHFFFAOYSA-N 0 3 359.470 1.828 20 10 FDCDHN CC(=O)N1CCN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000733614014 921799299 /nfs/dbraw/zinc/79/92/99/921799299.db2.gz UQCGYRRNBGFUKA-UHFFFAOYSA-N 0 3 359.470 1.828 20 10 FDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000787649034 932356996 /nfs/dbraw/zinc/35/69/96/932356996.db2.gz GPXFAKXTSJDMGS-UHFFFAOYSA-N 0 3 361.486 1.979 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1[O-] ZINC000817419385 942771080 /nfs/dbraw/zinc/77/10/80/942771080.db2.gz VBFPIGCLWIDQBA-LLVKDONJSA-N 0 3 368.235 1.645 20 10 FDCDHN CCOC(=O)[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CC12COC2 ZINC000824489746 946470576 /nfs/dbraw/zinc/47/05/76/946470576.db2.gz RLMBNZHYJPOROV-CYBMUJFWSA-N 0 3 351.399 1.421 20 10 FDCDHN O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@H]12 ZINC000824892930 946842510 /nfs/dbraw/zinc/84/25/10/946842510.db2.gz GASIVSOARPJOLS-CALCHBBNSA-N 0 3 352.390 1.676 20 10 FDCDHN O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@H]12 ZINC000824892930 946842521 /nfs/dbraw/zinc/84/25/21/946842521.db2.gz GASIVSOARPJOLS-CALCHBBNSA-N 0 3 352.390 1.676 20 10 FDCDHN Cc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(C)n1-c1ccccn1 ZINC000844040873 947648165 /nfs/dbraw/zinc/64/81/65/947648165.db2.gz OTULATTZYDIBFX-MRXNPFEDSA-N 0 3 369.469 1.681 20 10 FDCDHN C[C@H]1CN(c2ccc(CNC(=O)COC3(C)CNC3)cc2F)C[C@H](C)O1 ZINC000844172463 947815436 /nfs/dbraw/zinc/81/54/36/947815436.db2.gz GZTNJXJAFYEUEC-KBPBESRZSA-N 0 3 365.449 1.434 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 ZINC000844459222 948078951 /nfs/dbraw/zinc/07/89/51/948078951.db2.gz QVJDUIWZTOVCFH-NXHRZFHOSA-N 0 3 367.440 1.375 20 10 FDCDHN CCN(C(=O)CN[C@H](C)c1cc(OC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000775369709 967683526 /nfs/dbraw/zinc/68/35/26/967683526.db2.gz FUDGXZAKUUYPJV-OLZOCXBDSA-N 0 3 370.471 1.087 20 10 FDCDHN CCOC(=O)[C@H]1CCCCN1C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775374470 967754830 /nfs/dbraw/zinc/75/48/30/967754830.db2.gz CAQDTADCWQSWAJ-CZUORRHYSA-N 0 3 364.442 1.996 20 10 FDCDHN COC(=O)CCCS(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC001201920682 975205168 /nfs/dbraw/zinc/20/51/68/975205168.db2.gz AJNYUOFAGYKNRM-UHFFFAOYSA-N 0 3 370.471 1.229 20 10 FDCDHN C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000847298104 975432158 /nfs/dbraw/zinc/43/21/58/975432158.db2.gz JRRDRABAAIXRNO-AYOQOUSVSA-N 0 3 374.485 1.045 20 10 FDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000847366660 975538021 /nfs/dbraw/zinc/53/80/21/975538021.db2.gz LBJWZLLEFWVEOA-RDJZCZTQSA-N 0 3 358.486 1.346 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2F)CC1 ZINC000847454632 975646376 /nfs/dbraw/zinc/64/63/76/975646376.db2.gz LLSNNAHFPYYVLR-INIZCTEOSA-N 0 3 362.493 1.926 20 10 FDCDHN C[C@@H](NC1CN(c2ccncn2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866493923 975721426 /nfs/dbraw/zinc/72/14/26/975721426.db2.gz CSGGURXWTBXFPV-CQSZACIVSA-N 0 3 357.433 1.992 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)NCCS(C)(=O)=O)c1O ZINC000848524580 976889248 /nfs/dbraw/zinc/88/92/48/976889248.db2.gz HDAHTEUIWUCJIC-MRVPVSSYSA-N 0 3 352.250 1.859 20 10 FDCDHN O=C(NCc1ccccc1O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850806400 978678395 /nfs/dbraw/zinc/67/83/95/978678395.db2.gz VFSPWFWPURSRQZ-QGZVFWFLSA-N 0 3 355.394 1.308 20 10 FDCDHN CN1CCN(c2ccc(CN[C@@H](c3nc[nH]n3)c3cccnc3)cc2)CC1 ZINC000883291115 982049117 /nfs/dbraw/zinc/04/91/17/982049117.db2.gz SQBNFNDYDPOSMQ-LJQANCHMSA-N 0 3 363.469 1.831 20 10 FDCDHN O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CNC1 ZINC000923620905 986122905 /nfs/dbraw/zinc/12/29/05/986122905.db2.gz GWFJLXPZGSRZNH-LLVKDONJSA-N 0 3 361.414 1.148 20 10 FDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1[O-] ZINC000886698517 986482555 /nfs/dbraw/zinc/48/25/55/986482555.db2.gz HMRLICZSHUIBMA-NSHDSACASA-N 0 3 361.833 1.989 20 10 FDCDHN Cc1nccc(CN2CCC[C@@H](NCc3cc4c(cc3O)OCO4)C2=O)n1 ZINC000363969175 989468029 /nfs/dbraw/zinc/46/80/29/989468029.db2.gz SKUKEJSCXZAEKQ-OAHLLOKOSA-N 0 3 370.409 1.500 20 10 FDCDHN CC(C)N(CCCNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])S(C)(=O)=O ZINC000879651415 995137687 /nfs/dbraw/zinc/13/76/87/995137687.db2.gz URQHNZXWBQMETE-AWEZNQCLSA-N 0 3 371.503 1.219 20 10 FDCDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283314893 999748429 /nfs/dbraw/zinc/74/84/29/999748429.db2.gz BRHLQGOLTQHYFE-HZPDHXFCSA-N 0 3 360.502 1.605 20 10 FDCDHN C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1=CCN(C)CC1 ZINC000288660744 1000035963 /nfs/dbraw/zinc/03/59/63/1000035963.db2.gz VMBLOAUHWNPHNC-INIZCTEOSA-N 0 3 368.481 1.446 20 10 FDCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000795686905 1007969241 /nfs/dbraw/zinc/96/92/41/1007969241.db2.gz HIYDXAPNHCQCBY-WFASDCNBSA-N 0 3 361.316 1.745 20 10 FDCDHN O=C(NCCN1CCCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000079948245 1010740513 /nfs/dbraw/zinc/74/05/13/1010740513.db2.gz MSIKXLVZTVCWGS-UHFFFAOYSA-N 0 3 364.465 1.947 20 10 FDCDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000271662386 674366802 /nfs/dbraw/zinc/36/68/02/674366802.db2.gz DNZTXZDFVNDEIU-ZWKOTPCHSA-N 0 3 352.500 1.969 20 10 FDCDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000285794185 537289951 /nfs/dbraw/zinc/28/99/51/537289951.db2.gz UZOZUIJAFMWEFE-MAUKXSAKSA-N 0 3 372.513 1.626 20 10 FDCDHN COc1c([O-])c(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278929776 537342259 /nfs/dbraw/zinc/34/22/59/537342259.db2.gz VZPZUMYLVPJYOQ-CYBMUJFWSA-N 0 3 352.435 1.282 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000298895845 537358997 /nfs/dbraw/zinc/35/89/97/537358997.db2.gz BDVBAXZERGFEQF-IBGZPJMESA-N 0 3 372.513 1.798 20 10 FDCDHN CC[C@H](C)N(CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000287177831 537441107 /nfs/dbraw/zinc/44/11/07/537441107.db2.gz CHZSMDMTIKATAT-HNNXBMFYSA-N 0 3 367.465 1.371 20 10 FDCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000360016591 537575833 /nfs/dbraw/zinc/57/58/33/537575833.db2.gz AWFNOEMWXPZFGC-AUUYWEPGSA-N 0 3 361.442 1.991 20 10 FDCDHN COCCNCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237220960 537618343 /nfs/dbraw/zinc/61/83/43/537618343.db2.gz PHDLLFNNHLLWMS-CYBMUJFWSA-N 0 3 357.401 1.609 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000564681381 547000371 /nfs/dbraw/zinc/00/03/71/547000371.db2.gz OPPFYCSDEHDGSS-OAHLLOKOSA-N 0 3 354.454 1.410 20 10 FDCDHN O=S(=O)(c1ccc(CNCc2ccccc2O)s1)N1CCOCC1 ZINC000238107059 672433523 /nfs/dbraw/zinc/43/35/23/672433523.db2.gz XTSWATSICLDMFU-UHFFFAOYSA-N 0 3 368.480 1.764 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@H]3C(=O)NC[C@@H]3C2)c1O ZINC000367923197 677496785 /nfs/dbraw/zinc/49/67/85/677496785.db2.gz FJPHTMOFEFXUDZ-ZYHUDNBSSA-N 0 3 355.232 1.731 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)COCc2cc[nH]c(=O)c2)N(C)C)cc1 ZINC000891247235 774092806 /nfs/dbraw/zinc/09/28/06/774092806.db2.gz RVOZXIAGXHTHSD-GOSISDBHSA-N 0 3 372.469 1.789 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)N(C)C)cc1 ZINC000891247381 774093222 /nfs/dbraw/zinc/09/32/22/774093222.db2.gz JSAMVFMQKMEUNR-HZPDHXFCSA-N 0 3 363.506 1.555 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccn3nccc3n2)N(C)C)cc1 ZINC000891246945 774096245 /nfs/dbraw/zinc/09/62/45/774096245.db2.gz QYZNMWYISCLINS-KRWDZBQOSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)COCc2ccnn2C)N(C)C)cc1 ZINC000891247751 774098788 /nfs/dbraw/zinc/09/87/88/774098788.db2.gz KDBCUXDCHUDVLX-GOSISDBHSA-N 0 3 359.474 1.422 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cccnc2)N(C)C)cc1 ZINC000891251086 774128594 /nfs/dbraw/zinc/12/85/94/774128594.db2.gz DMVILXINTFYFAM-GOSISDBHSA-N 0 3 369.469 1.297 20 10 FDCDHN Cc1ccnc2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)nn21 ZINC000891255206 774155126 /nfs/dbraw/zinc/15/51/26/774155126.db2.gz NRXUFJVBJIDWLI-MRXNPFEDSA-N 0 3 367.457 1.531 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn3cccnc3n2)N(C)C)cc1 ZINC000891255844 774170550 /nfs/dbraw/zinc/17/05/50/774170550.db2.gz SNWWKJCXQCZFIY-QGZVFWFLSA-N 0 3 352.442 1.828 20 10 FDCDHN CCn1nccc1N1CCC[C@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000276606440 778375919 /nfs/dbraw/zinc/37/59/19/778375919.db2.gz HPSCDHWBGMLNMO-ZDUSSCGKSA-N 0 3 358.398 1.623 20 10 FDCDHN C[C@@H](Cn1cccn1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891895377 780051278 /nfs/dbraw/zinc/05/12/78/780051278.db2.gz IJHRNPIPQHBZPW-MAUKXSAKSA-N 0 3 358.490 1.940 20 10 FDCDHN C[C@@H](Cn1cccn1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891895379 780051654 /nfs/dbraw/zinc/05/16/54/780051654.db2.gz IJHRNPIPQHBZPW-YJBOKZPZSA-N 0 3 358.490 1.940 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000893461889 804035014 /nfs/dbraw/zinc/03/50/14/804035014.db2.gz ADYRAMFMHDGQFG-CRAIPNDOSA-N 0 3 373.501 1.418 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422387516 814815764 /nfs/dbraw/zinc/81/57/64/814815764.db2.gz UUEMFGUVBVWSTI-HNNXBMFYSA-N 0 3 356.470 1.656 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2cn(C)cn2)N(C)C)cc1 ZINC000895291502 822412012 /nfs/dbraw/zinc/41/20/12/822412012.db2.gz MJRPYMQONQSLFE-GOSISDBHSA-N 0 3 358.490 1.631 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1[O-] ZINC000895790649 822744691 /nfs/dbraw/zinc/74/46/91/822744691.db2.gz YRXAMMWAYMWJGH-UHFFFAOYSA-N 0 3 363.805 1.128 20 10 FDCDHN Cc1cccc(O)c1CNCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000896885646 825611224 /nfs/dbraw/zinc/61/12/24/825611224.db2.gz ITOGEWXSUTZNFX-UHFFFAOYSA-N 0 3 355.438 1.565 20 10 FDCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1[O-] ZINC000927025858 843328252 /nfs/dbraw/zinc/32/82/52/843328252.db2.gz OWJHKEVZNRYNFT-KOLCDFICSA-N 0 3 366.277 1.519 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)[C@H]2CCCO2)N(C)C)cc1 ZINC000899097703 845760216 /nfs/dbraw/zinc/76/02/16/845760216.db2.gz FOTXJHNVXMRFFU-OKZBNKHCSA-N 0 3 364.490 1.194 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCN(C3CC3)CC2)N(C)C)cc1 ZINC000899103342 845775704 /nfs/dbraw/zinc/77/57/04/845775704.db2.gz ZRJCQUAUZDLVBE-IBGZPJMESA-N 0 3 359.518 1.845 20 10 FDCDHN C[NH+]1C[C@]2(C)CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@@]2(C)C1 ZINC000913284576 861798440 /nfs/dbraw/zinc/79/84/40/861798440.db2.gz PRXSVJNDRNKQGM-IAGOWNOFSA-N 0 3 367.471 1.178 20 10 FDCDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785426392 903983633 /nfs/dbraw/zinc/98/36/33/903983633.db2.gz XNROVWGNCBIILB-IYBDPMFKSA-N 0 3 360.502 1.748 20 10 FDCDHN Cn1nc2c(c1CNCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCC2 ZINC000921575556 908455920 /nfs/dbraw/zinc/45/59/20/908455920.db2.gz SFCLDQBLNVCEMO-INIZCTEOSA-N 0 3 367.497 1.900 20 10 FDCDHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000732464208 919639544 /nfs/dbraw/zinc/63/95/44/919639544.db2.gz ZTLZCINIUFUZOS-UONOGXRCSA-N 0 3 351.447 1.872 20 10 FDCDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000734275171 923154512 /nfs/dbraw/zinc/15/45/12/923154512.db2.gz VZFVJQZVWDYBDW-SFHVURJKSA-N 0 3 372.513 1.931 20 10 FDCDHN C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392864 926039467 /nfs/dbraw/zinc/03/94/67/926039467.db2.gz UBGFJHZOKZBQGK-KXBFYZLASA-N 0 3 369.469 1.540 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C)C[C@H]1C(C)C)cc2=O ZINC000746461983 928056365 /nfs/dbraw/zinc/05/63/65/928056365.db2.gz IQNPGAKMBXTZRR-HNNXBMFYSA-N 0 3 361.446 1.384 20 10 FDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cc2)C1 ZINC000787110334 932165552 /nfs/dbraw/zinc/16/55/52/932165552.db2.gz GZMMALKWANLEHA-VQIMIIECSA-N 0 3 370.497 1.631 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000787674385 932350471 /nfs/dbraw/zinc/35/04/71/932350471.db2.gz CYEYUAPCSQAPHS-KRWDZBQOSA-N 0 3 374.529 1.997 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000788910371 932875257 /nfs/dbraw/zinc/87/52/57/932875257.db2.gz KDTDZKVUYABNJJ-LJQANCHMSA-N 0 3 370.497 1.600 20 10 FDCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000806328825 939900816 /nfs/dbraw/zinc/90/08/16/939900816.db2.gz KMFLUXNMQICKBZ-KRWDZBQOSA-N 0 3 360.502 1.702 20 10 FDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c([O-])c1 ZINC000809688141 940886629 /nfs/dbraw/zinc/88/66/29/940886629.db2.gz BYRJJEPMWBAURV-CQSZACIVSA-N 0 3 356.488 1.894 20 10 FDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c([O-])c1 ZINC000809688141 940886635 /nfs/dbraw/zinc/88/66/35/940886635.db2.gz BYRJJEPMWBAURV-CQSZACIVSA-N 0 3 356.488 1.894 20 10 FDCDHN OCc1cn([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000816642395 942284684 /nfs/dbraw/zinc/28/46/84/942284684.db2.gz YKJWOHJLYRUMCI-IBGZPJMESA-N 0 3 357.458 1.444 20 10 FDCDHN C[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)CN1CCN(C)CC1 ZINC000819163965 943455764 /nfs/dbraw/zinc/45/57/64/943455764.db2.gz CWCZMIZYVALDFB-HNNXBMFYSA-N 0 3 360.458 1.040 20 10 FDCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CN4CCN3CCC4)C2)cc1 ZINC000819585501 943635055 /nfs/dbraw/zinc/63/50/55/943635055.db2.gz FWOPJJFBNOYWMW-QFBILLFUSA-N 0 3 358.486 1.028 20 10 FDCDHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3ccccc3O)cc21 ZINC000821055647 944319171 /nfs/dbraw/zinc/31/91/71/944319171.db2.gz PBINZTHEEVWBBY-UHFFFAOYSA-N 0 3 354.410 1.939 20 10 FDCDHN Cn1ccnc1CN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775681314 971374192 /nfs/dbraw/zinc/37/41/92/971374192.db2.gz OTFABKQNKGQXPO-UHFFFAOYSA-N 0 3 368.529 1.490 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846036076 950392961 /nfs/dbraw/zinc/39/29/61/950392961.db2.gz WUSKYUUNLIUHPP-GFCCVEGCSA-N 0 3 363.277 1.587 20 10 FDCDHN C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC000774217725 961896665 /nfs/dbraw/zinc/89/66/65/961896665.db2.gz PHTBRFSEJIOJCF-QGTPRVQTSA-N 0 3 358.486 1.625 20 10 FDCDHN CCCCNC(=O)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258036 967015803 /nfs/dbraw/zinc/01/58/03/967015803.db2.gz PFXPRHKQRHVXJJ-HNNXBMFYSA-N 0 3 362.474 1.800 20 10 FDCDHN C[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000854231816 968702260 /nfs/dbraw/zinc/70/22/60/968702260.db2.gz NGHIPXCNGNGMIU-GFCCVEGCSA-N 0 3 361.421 1.467 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CC=CC4)C3)C2)cc1 ZINC000854300547 968748088 /nfs/dbraw/zinc/74/80/88/968748088.db2.gz VLZLNFRRCNDXJS-FUHWJXTLSA-N 0 3 356.470 1.930 20 10 FDCDHN C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855897697 970757347 /nfs/dbraw/zinc/75/73/47/970757347.db2.gz FRSCAOMCERLUMS-ZDUSSCGKSA-N 0 3 369.487 1.614 20 10 FDCDHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830647 972876765 /nfs/dbraw/zinc/87/67/65/972876765.db2.gz LUOUOVYSJXYWNI-ZDUSSCGKSA-N 0 3 373.457 1.952 20 10 FDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)c2c1c(F)ccc2[O-] ZINC000866554135 975781258 /nfs/dbraw/zinc/78/12/58/975781258.db2.gz PRKSYZBDXZYIEV-BVRBVLIYSA-N 0 3 350.390 1.297 20 10 FDCDHN COc1ccc(N2CCC(NS(=O)(=O)CCCN(C)C)CC2)cc1 ZINC000866710835 975943041 /nfs/dbraw/zinc/94/30/41/975943041.db2.gz WFSXPXZILZMZNV-UHFFFAOYSA-N 0 3 355.504 1.535 20 10 FDCDHN CN(C)c1ccc(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849485895 977679646 /nfs/dbraw/zinc/67/96/46/977679646.db2.gz IRFNLAVKQWUYBL-OALUTQOASA-N 0 3 355.486 1.838 20 10 FDCDHN CN(C)c1ccc(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849485897 977679717 /nfs/dbraw/zinc/67/97/17/977679717.db2.gz IRFNLAVKQWUYBL-RBUKOAKNSA-N 0 3 355.486 1.838 20 10 FDCDHN N[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC[C@H]1F ZINC000851661957 978988280 /nfs/dbraw/zinc/98/82/80/978988280.db2.gz QQUZAGKHGYTGAI-IUODEOHRSA-N 0 3 372.391 1.382 20 10 FDCDHN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H](F)[C@H](N)C3)C2)cc1 ZINC000851666659 978990029 /nfs/dbraw/zinc/99/00/29/978990029.db2.gz JNQIZGMNWJAWAU-IAOVAPTHSA-N 0 3 350.438 1.602 20 10 FDCDHN Cc1ccc(O)c(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000858283649 981961534 /nfs/dbraw/zinc/96/15/34/981961534.db2.gz NBULXTRRFCBKST-MRXNPFEDSA-N 0 3 362.474 1.443 20 10 FDCDHN COCC[C@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000884194829 982970843 /nfs/dbraw/zinc/97/08/43/982970843.db2.gz SLFDPYFZSFOMIB-XEZPLFJOSA-N 0 3 353.438 1.419 20 10 FDCDHN COCC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229393 983003980 /nfs/dbraw/zinc/00/39/80/983003980.db2.gz PJGOSWDLIXBTML-DOMZBBRYSA-N 0 3 357.401 1.737 20 10 FDCDHN COCC[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229396 983004118 /nfs/dbraw/zinc/00/41/18/983004118.db2.gz PJGOSWDLIXBTML-WFASDCNBSA-N 0 3 357.401 1.737 20 10 FDCDHN NC(=O)C1CCN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000886747425 986542806 /nfs/dbraw/zinc/54/28/06/986542806.db2.gz TUSUMTGYAGJXMC-INIZCTEOSA-N 0 3 365.499 1.055 20 10 FDCDHN COc1ccnc(N2CCCN(Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000368860330 989013576 /nfs/dbraw/zinc/01/35/76/989013576.db2.gz VZCJSHWZNPYDBG-UHFFFAOYSA-N 0 3 358.398 1.632 20 10 FDCDHN NC(=O)c1cc(OC2CCN(Cc3cc4c(cc3O)OCO4)CC2)ccn1 ZINC000370313761 989653225 /nfs/dbraw/zinc/65/32/25/989653225.db2.gz LAVLVNBNWSQJQH-UHFFFAOYSA-N 0 3 371.393 1.658 20 10 FDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372484985 991155904 /nfs/dbraw/zinc/15/59/04/991155904.db2.gz OVNIMKUWCARHND-MRXNPFEDSA-N 0 3 359.518 1.504 20 10 FDCDHN C[C@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000875284687 991259761 /nfs/dbraw/zinc/25/97/61/991259761.db2.gz MZDRBOACSDTYEO-HNNXBMFYSA-N 0 3 360.502 1.873 20 10 FDCDHN COC(=O)c1cn([C@H]2CCN(Cc3cc(OC)c(OC)cc3O)C2)nn1 ZINC000375201295 993024276 /nfs/dbraw/zinc/02/42/76/993024276.db2.gz LIFKXROIRIWACP-LBPRGKRZSA-N 0 3 362.386 1.235 20 10 FDCDHN CC[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000931002100 1003758102 /nfs/dbraw/zinc/75/81/02/1003758102.db2.gz VYRTXUGALMGONE-MSOLQXFVSA-N 0 3 360.502 1.776 20 10 FDCDHN Cc1[nH]ncc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000194495210 1011208532 /nfs/dbraw/zinc/20/85/32/1011208532.db2.gz JXZJZEULFRVMQY-UHFFFAOYSA-N 0 3 357.458 1.926 20 10 FDCDHN C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055255347 221064247 /nfs/dbraw/zinc/06/42/47/221064247.db2.gz NIJSWSMCXRYFAE-LBPRGKRZSA-N 0 3 355.460 1.368 20 10 FDCDHN C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055255347 221064248 /nfs/dbraw/zinc/06/42/48/221064248.db2.gz NIJSWSMCXRYFAE-LBPRGKRZSA-N 0 3 355.460 1.368 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c1[O-] ZINC000294864862 676398231 /nfs/dbraw/zinc/39/82/31/676398231.db2.gz UCTUMIAUYVGIMY-CYBMUJFWSA-N 0 3 364.261 1.102 20 10 FDCDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000060339530 522362144 /nfs/dbraw/zinc/36/21/44/522362144.db2.gz WJEFTNQHPUHWTC-ZDUSSCGKSA-N 0 3 369.487 1.614 20 10 FDCDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000060339530 522362161 /nfs/dbraw/zinc/36/21/61/522362161.db2.gz WJEFTNQHPUHWTC-ZDUSSCGKSA-N 0 3 369.487 1.614 20 10 FDCDHN CN(C)CCN1C[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1=O ZINC000073132560 522475756 /nfs/dbraw/zinc/47/57/56/522475756.db2.gz XFIXMSGWWKYMDD-QGZVFWFLSA-N 0 3 358.486 1.095 20 10 FDCDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000174109412 524516219 /nfs/dbraw/zinc/51/62/19/524516219.db2.gz XXHRXUDZDPVDOU-MRXNPFEDSA-N 0 3 364.465 1.946 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3[C@@H](C)O)CC2)cc1 ZINC000170956563 525784569 /nfs/dbraw/zinc/78/45/69/525784569.db2.gz FDUJKFCWHWOZDH-VQIMIIECSA-N 0 3 361.486 1.579 20 10 FDCDHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000182526190 526198450 /nfs/dbraw/zinc/19/84/50/526198450.db2.gz YHAMHMFDQIHQHM-UHFFFAOYSA-N 0 3 373.545 1.848 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)CC3CCN(C)CC3)cc2)CC1 ZINC000293053614 537317661 /nfs/dbraw/zinc/31/76/61/537317661.db2.gz WWDJXEFXTIAISH-UHFFFAOYSA-N 0 3 372.513 1.703 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H](F)CN3)cc2F)C[C@@H](C)O1 ZINC000275563851 537557891 /nfs/dbraw/zinc/55/78/91/537557891.db2.gz WQWYDGGEICSDOB-UNIGVISCSA-N 0 3 353.413 1.756 20 10 FDCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000237277597 537620339 /nfs/dbraw/zinc/62/03/39/537620339.db2.gz WDINVVRYBSRQQC-OAHLLOKOSA-N 0 3 355.479 1.483 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1O ZINC000366479491 537768610 /nfs/dbraw/zinc/76/86/10/537768610.db2.gz GXHGXLGOUJSRAC-QWRGUYRKSA-N 0 3 369.215 1.258 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000576780487 550585117 /nfs/dbraw/zinc/58/51/17/550585117.db2.gz ZSKQLRGOCVGWOU-FZKQIMNGSA-N 0 3 356.470 1.511 20 10 FDCDHN CN(C)C[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc2O1 ZINC000612399886 554771793 /nfs/dbraw/zinc/77/17/93/554771793.db2.gz HIHCGRZBEPWAGR-GFCCVEGCSA-N 0 3 352.394 1.546 20 10 FDCDHN CCCOc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c([O-])c1 ZINC000289391779 676128381 /nfs/dbraw/zinc/12/83/81/676128381.db2.gz NPFQEOUTFJHIAJ-UHFFFAOYSA-N 0 3 356.488 1.942 20 10 FDCDHN CN(C)c1ccc(CNC[C@@]2(O)CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000294902647 676398340 /nfs/dbraw/zinc/39/83/40/676398340.db2.gz XJWBWHKFXGYNQO-AWEZNQCLSA-N 0 3 366.405 1.411 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000299218731 676522854 /nfs/dbraw/zinc/52/28/54/676522854.db2.gz KLBFDXJHHNKDQQ-UHFFFAOYSA-N 0 3 369.487 1.760 20 10 FDCDHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000362327601 676915161 /nfs/dbraw/zinc/91/51/61/676915161.db2.gz UEAQGWWDLKMBQP-KGLIPLIRSA-N 0 3 367.471 1.463 20 10 FDCDHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000362327601 676915164 /nfs/dbraw/zinc/91/51/64/676915164.db2.gz UEAQGWWDLKMBQP-KGLIPLIRSA-N 0 3 367.471 1.463 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC000891248006 774099764 /nfs/dbraw/zinc/09/97/64/774099764.db2.gz JVBZFIMYOQEYEI-BQFCYCMXSA-N 0 3 360.502 1.763 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cn2nnc3c2CCCC3)N(C)C)cc1 ZINC000891249312 774105608 /nfs/dbraw/zinc/10/56/08/774105608.db2.gz QUBHYIQKFOHKEK-IBGZPJMESA-N 0 3 370.501 1.642 20 10 FDCDHN COc1ncc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891248978 774113423 /nfs/dbraw/zinc/11/34/23/774113423.db2.gz OPOWLIBXPPPVCD-PMQIGOLDSA-N 0 3 369.469 1.984 20 10 FDCDHN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254987 774152346 /nfs/dbraw/zinc/15/23/46/774152346.db2.gz LRYBNFMEVTUFKF-RTBURBONSA-N 0 3 360.502 1.873 20 10 FDCDHN Cc1ccnc2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)nn21 ZINC000891255204 774155057 /nfs/dbraw/zinc/15/50/57/774155057.db2.gz NRXUFJVBJIDWLI-INIZCTEOSA-N 0 3 367.457 1.531 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CSc2cccc[n+]2[O-])N(C)C)cc1 ZINC000891255984 774160928 /nfs/dbraw/zinc/16/09/28/774160928.db2.gz UPIVYYCTIQRVKR-KRWDZBQOSA-N 0 3 374.510 1.897 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CCCN2C(=O)CCC2=O)N(C)C)cc1 ZINC000891255734 774170601 /nfs/dbraw/zinc/17/06/01/774170601.db2.gz ROYPNCCJACHFKY-KRWDZBQOSA-N 0 3 374.485 1.401 20 10 FDCDHN Cc1noc(CCCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000892704695 789562979 /nfs/dbraw/zinc/56/29/79/789562979.db2.gz MTXJJBOHYWEDCM-QGZVFWFLSA-N 0 3 374.489 1.979 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729497818 819864471 /nfs/dbraw/zinc/86/44/71/819864471.db2.gz CUQFRFRVVWBDNB-MOPGFXCFSA-N 0 3 374.485 1.186 20 10 FDCDHN Cc1nc(CN2CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)n[nH]1 ZINC000895263039 822298405 /nfs/dbraw/zinc/29/84/05/822298405.db2.gz PNNQDTHRMNTCKE-UHFFFAOYSA-N 0 3 370.501 1.392 20 10 FDCDHN CO[C@@H]1COC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895329161 822488532 /nfs/dbraw/zinc/48/85/32/822488532.db2.gz JKXZBOGVOCCCKS-GVDBMIGSSA-N 0 3 350.463 1.068 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCNC2=O)N(C)C)cc1 ZINC000895329007 822488657 /nfs/dbraw/zinc/48/86/57/822488657.db2.gz OTQRGSGKOOEBJZ-DOTOQJQBSA-N 0 3 361.490 1.181 20 10 FDCDHN CNC(=O)C1(NCc2ccc(OC)c(Cn3cccn3)c2)CCOCC1 ZINC000895884040 822783574 /nfs/dbraw/zinc/78/35/74/822783574.db2.gz GZVKQBZWWKMJEQ-UHFFFAOYSA-N 0 3 358.442 1.325 20 10 FDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245747694 835644752 /nfs/dbraw/zinc/64/47/52/835644752.db2.gz SVUWNABIBMVMOZ-AZGCOUAMSA-N 0 3 368.433 1.863 20 10 FDCDHN CN1CCCc2cc(CNC(=O)C(=O)NC[C@H](N)c3ccccc3)ccc21 ZINC000842149777 845004053 /nfs/dbraw/zinc/00/40/53/845004053.db2.gz FEKZVOFWMJUUTG-SFHVURJKSA-N 0 3 366.465 1.501 20 10 FDCDHN COC[C@@H]1COCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095841 845756574 /nfs/dbraw/zinc/75/65/74/845756574.db2.gz NRZQFLIINNJQJY-MSOLQXFVSA-N 0 3 364.490 1.412 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](O)C23CCC3)N(C)C)cc1 ZINC000899097772 845760880 /nfs/dbraw/zinc/76/08/80/845760880.db2.gz GOXKXGDPAWKFQZ-KSZLIROESA-N 0 3 360.502 1.958 20 10 FDCDHN COCC[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101390 845773381 /nfs/dbraw/zinc/77/33/81/845773381.db2.gz HNVJYCNFIQFIGK-DOTOQJQBSA-N 0 3 352.479 1.052 20 10 FDCDHN C[C@H](CO)N(C[C@H](C)O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102036 845774299 /nfs/dbraw/zinc/77/42/99/845774299.db2.gz JTWBOORXCVHNEE-VKJFTORMSA-N 0 3 366.506 1.129 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)C(F)(F)F)N(C)C)cc1 ZINC000899102825 845775647 /nfs/dbraw/zinc/77/56/47/845775647.db2.gz SJDMXARVWXUESL-ZIAGYGMSSA-N 0 3 362.396 1.578 20 10 FDCDHN C[C@H]1c2nncn2CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103390 845776272 /nfs/dbraw/zinc/77/62/72/845776272.db2.gz LIPLPYQJXVDTIA-WMLDXEAASA-N 0 3 371.489 1.733 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](C(N)=O)C(C)(C)C)N(C)C)cc1 ZINC000899104697 845778293 /nfs/dbraw/zinc/77/82/93/845778293.db2.gz SGYAGKBGYZUKFC-HZPDHXFCSA-N 0 3 363.506 1.555 20 10 FDCDHN CNC(=O)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099365 845794899 /nfs/dbraw/zinc/79/48/99/845794899.db2.gz ZRIFPNDEZVDXBP-RDJZCZTQSA-N 0 3 361.490 1.133 20 10 FDCDHN CN1CCN(c2ccc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)cc2)CC1 ZINC000775643831 970764494 /nfs/dbraw/zinc/76/44/94/970764494.db2.gz VFOOIINVQREQQB-HXUWFJFHSA-N 0 3 372.513 1.262 20 10 FDCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1C ZINC000914242468 871993666 /nfs/dbraw/zinc/99/36/66/871993666.db2.gz LAXICRNWWDIPBS-BBRMVZONSA-N 0 3 350.438 1.554 20 10 FDCDHN CC(C)(C)n1cc(CNCc2ccc(N3CCOCC3)cc2)c(=O)[nH]c1=O ZINC000922500113 878379217 /nfs/dbraw/zinc/37/92/17/878379217.db2.gz WRWCREVSDANKST-UHFFFAOYSA-N 0 3 372.469 1.830 20 10 FDCDHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000764000341 901946736 /nfs/dbraw/zinc/94/67/36/901946736.db2.gz XJEULJSEKUAMKN-LPHOPBHVSA-N 0 3 358.486 1.090 20 10 FDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730286654 916478204 /nfs/dbraw/zinc/47/82/04/916478204.db2.gz UEKPERZCAQNSDH-UHFFFAOYSA-N 0 3 350.482 1.926 20 10 FDCDHN COC[C@@H](C)NC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204896 919246713 /nfs/dbraw/zinc/24/67/13/919246713.db2.gz VRXYEFGATXECNJ-CQSZACIVSA-N 0 3 363.458 1.998 20 10 FDCDHN COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204896 919246732 /nfs/dbraw/zinc/24/67/32/919246732.db2.gz VRXYEFGATXECNJ-CQSZACIVSA-N 0 3 363.458 1.998 20 10 FDCDHN COC[C@H](C)NC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204893 919247432 /nfs/dbraw/zinc/24/74/32/919247432.db2.gz VRXYEFGATXECNJ-AWEZNQCLSA-N 0 3 363.458 1.998 20 10 FDCDHN COC[C@H](C)NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204893 919247440 /nfs/dbraw/zinc/24/74/40/919247440.db2.gz VRXYEFGATXECNJ-AWEZNQCLSA-N 0 3 363.458 1.998 20 10 FDCDHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000732464210 919642147 /nfs/dbraw/zinc/64/21/47/919642147.db2.gz ZTLZCINIUFUZOS-ZIAGYGMSSA-N 0 3 351.447 1.872 20 10 FDCDHN COc1cccc([O-])c1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732986129 920426241 /nfs/dbraw/zinc/42/62/41/920426241.db2.gz YFAJUPFZDRJXTI-UHFFFAOYSA-N 0 3 364.414 1.755 20 10 FDCDHN CNS(=O)(=O)c1cccc(NC(=O)CNCc2cc(C)ccc2O)c1 ZINC000733327843 920982488 /nfs/dbraw/zinc/98/24/88/920982488.db2.gz CYXMMWRBWJYNJS-UHFFFAOYSA-N 0 3 363.439 1.337 20 10 FDCDHN O=C(CN[C@H](CO)C1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000771807866 930919872 /nfs/dbraw/zinc/91/98/72/930919872.db2.gz MLERQHDIFRDJMG-GOSISDBHSA-N 0 3 364.401 1.761 20 10 FDCDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000787668184 932363051 /nfs/dbraw/zinc/36/30/51/932363051.db2.gz DSYWICJGLVZEAK-ZDUSSCGKSA-N 0 3 370.544 1.590 20 10 FDCDHN O=C(NCc1cc(Br)ccc1O)[C@H]1CN2CCN1CCC2 ZINC000804735863 938559225 /nfs/dbraw/zinc/55/92/25/938559225.db2.gz KGLHRHRAGXAGGJ-CYBMUJFWSA-N 0 3 354.248 1.161 20 10 FDCDHN CC(=O)NCC[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000805821991 938832681 /nfs/dbraw/zinc/83/26/81/938832681.db2.gz HLTRDABEMJNFHU-SFHVURJKSA-N 0 3 374.529 1.949 20 10 FDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)c1[O-] ZINC000808705585 940566284 /nfs/dbraw/zinc/56/62/84/940566284.db2.gz LBHHKEZODORAKC-GFCCVEGCSA-N 0 3 362.879 1.667 20 10 FDCDHN COc1cccc(O)c1CN1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000809750070 940894592 /nfs/dbraw/zinc/89/45/92/940894592.db2.gz VPCUGUCNZNLLID-UHFFFAOYSA-N 0 3 357.410 1.938 20 10 FDCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000809750070 940894594 /nfs/dbraw/zinc/89/45/94/940894594.db2.gz VPCUGUCNZNLLID-UHFFFAOYSA-N 0 3 357.410 1.938 20 10 FDCDHN COc1cccc(O)c1CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000809785165 940902123 /nfs/dbraw/zinc/90/21/23/940902123.db2.gz RPZNSIUEQYRERF-CYBMUJFWSA-N 0 3 354.472 1.695 20 10 FDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000809785165 940902125 /nfs/dbraw/zinc/90/21/25/940902125.db2.gz RPZNSIUEQYRERF-CYBMUJFWSA-N 0 3 354.472 1.695 20 10 FDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000809785165 940902129 /nfs/dbraw/zinc/90/21/29/940902129.db2.gz RPZNSIUEQYRERF-CYBMUJFWSA-N 0 3 354.472 1.695 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](CO)C[C@H](C)C3)CC2)cc1 ZINC000817277414 942677855 /nfs/dbraw/zinc/67/78/55/942677855.db2.gz HWNCGAJEJHKSRV-DLBZAZTESA-N 0 3 361.486 1.294 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817763077 942953855 /nfs/dbraw/zinc/95/38/55/942953855.db2.gz ZAPQBPLIRXXDTR-SFHVURJKSA-N 0 3 360.502 1.654 20 10 FDCDHN CCN1CCN(c2ccc(CNCCS(=O)(=O)CC)cc2F)CC1 ZINC000819033047 943409680 /nfs/dbraw/zinc/40/96/80/943409680.db2.gz LHLRQSNFOCNWKY-UHFFFAOYSA-N 0 3 357.495 1.492 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000822538812 945051046 /nfs/dbraw/zinc/05/10/46/945051046.db2.gz ACKVITDGWCGACJ-PKOBYXMFSA-N 0 3 372.513 1.654 20 10 FDCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499790 949696565 /nfs/dbraw/zinc/69/65/65/949696565.db2.gz JGACAJRIUYGDNH-CMPLNLGQSA-N 0 3 354.403 1.263 20 10 FDCDHN C[C@H](NC(=O)C(=O)N(C)CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000846734720 951515718 /nfs/dbraw/zinc/51/57/18/951515718.db2.gz NTWCVKFVMPDBFW-INIZCTEOSA-N 0 3 360.502 1.874 20 10 FDCDHN CNC(=O)[C@H](NC(=O)CN[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775376326 967766098 /nfs/dbraw/zinc/76/60/98/967766098.db2.gz STEJWYIMKQELQY-ORAYPTAESA-N 0 3 371.437 1.655 20 10 FDCDHN C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000854003902 968520360 /nfs/dbraw/zinc/52/03/60/968520360.db2.gz NGEJTRFQGDEIRT-HNNXBMFYSA-N 0 3 363.506 1.475 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCN2CC[C@H](O)C2)cc1 ZINC000863835085 973255790 /nfs/dbraw/zinc/25/57/90/973255790.db2.gz QFIUQKLYNZXSQS-FQEVSTJZSA-N 0 3 369.465 1.632 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000775981502 974307613 /nfs/dbraw/zinc/30/76/13/974307613.db2.gz DDCJOPLNJUSNOW-UHFFFAOYSA-N 0 3 365.293 1.834 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847386179 975562491 /nfs/dbraw/zinc/56/24/91/975562491.db2.gz WBPAHLNXLRNIQP-AYOQOUSVSA-N 0 3 360.502 1.452 20 10 FDCDHN CN(C)CCCS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000866833530 976138305 /nfs/dbraw/zinc/13/83/05/976138305.db2.gz CCHSDJYGBSTPQF-UHFFFAOYSA-N 0 3 369.531 1.266 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848352234 976671430 /nfs/dbraw/zinc/67/14/30/976671430.db2.gz NPIXKDQFYFGLBB-CABCVRRESA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848352234 976671436 /nfs/dbraw/zinc/67/14/36/976671436.db2.gz NPIXKDQFYFGLBB-CABCVRRESA-N 0 3 367.471 1.510 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000852009718 979271359 /nfs/dbraw/zinc/27/13/59/979271359.db2.gz ORDFVDCOMOQNLJ-FQEVSTJZSA-N 0 3 374.529 1.556 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000266042950 984496126 /nfs/dbraw/zinc/49/61/26/984496126.db2.gz WJWDKJISOQQSEN-GOSISDBHSA-N 0 3 360.502 1.023 20 10 FDCDHN C[C@H](N[C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000374744015 992934434 /nfs/dbraw/zinc/93/44/34/992934434.db2.gz PLIMMYGYSDLHQE-PXNSSMCTSA-N 0 3 374.529 1.726 20 10 FDCDHN COc1ccc(N2CC[C@H](NCc3ccc(S(N)(=O)=O)s3)C2)cc1 ZINC000877620357 993386232 /nfs/dbraw/zinc/38/62/32/993386232.db2.gz HMTDOWXJRDZWSW-LBPRGKRZSA-N 0 3 367.496 1.773 20 10 FDCDHN COc1cc(O)c(CN[C@@H]2CCN(C3CCOCC3)C2=O)cc1OC ZINC000877672757 993429745 /nfs/dbraw/zinc/42/97/45/993429745.db2.gz MODVKYMOOOJJGI-CQSZACIVSA-N 0 3 350.415 1.279 20 10 FDCDHN CONC(=O)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000877786374 993511789 /nfs/dbraw/zinc/51/17/89/993511789.db2.gz FIOGVAWVNMLLCQ-UHFFFAOYSA-N 0 3 351.422 1.552 20 10 FDCDHN Cc1[nH]ncc1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000284100052 999776634 /nfs/dbraw/zinc/77/66/34/999776634.db2.gz OLRSALNVGHRLNW-UHFFFAOYSA-N 0 3 369.469 1.983 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2C[C@H](C(=O)NC)[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000284475293 999840001 /nfs/dbraw/zinc/84/00/01/999840001.db2.gz BLKJAKUVQOBABZ-MSOLQXFVSA-N 0 3 372.469 1.876 20 10 FDCDHN CCCOc1ccc(C[N@H+]2C[C@H](C(=O)NC)[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000284475293 999840002 /nfs/dbraw/zinc/84/00/02/999840002.db2.gz BLKJAKUVQOBABZ-MSOLQXFVSA-N 0 3 372.469 1.876 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000929972732 1002679269 /nfs/dbraw/zinc/67/92/69/1002679269.db2.gz UEGYWVZQWLLAKE-WMZOPIPTSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000929972732 1002679280 /nfs/dbraw/zinc/67/92/80/1002679280.db2.gz UEGYWVZQWLLAKE-WMZOPIPTSA-N 0 3 351.443 1.276 20 10 FDCDHN CS(=O)(=O)N1CC(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000929973539 1002681685 /nfs/dbraw/zinc/68/16/85/1002681685.db2.gz ZCMKCCFDELMMRW-INIZCTEOSA-N 0 3 354.472 1.265 20 10 FDCDHN CS(=O)(=O)N1CC(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000929973539 1002681694 /nfs/dbraw/zinc/68/16/94/1002681694.db2.gz ZCMKCCFDELMMRW-INIZCTEOSA-N 0 3 354.472 1.265 20 10 FDCDHN FC(F)(F)[C@H](CNCc1ccc(N2CCOCC2)cc1)N1CCOCC1 ZINC000796514266 1017427336 /nfs/dbraw/zinc/42/73/36/1017427336.db2.gz IGTBFFMFHKMMLL-KRWDZBQOSA-N 0 3 373.419 1.876 20 10 FDCDHN NC(=O)NC(=O)OCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000271373244 674337866 /nfs/dbraw/zinc/33/78/66/674337866.db2.gz NKZKUNNEPDYOBE-AWEZNQCLSA-N 0 3 351.403 1.568 20 10 FDCDHN NC(=O)NC(=O)OCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000271373244 674337868 /nfs/dbraw/zinc/33/78/68/674337868.db2.gz NKZKUNNEPDYOBE-AWEZNQCLSA-N 0 3 351.403 1.568 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C[C@H]3CCOC3)C3CC3)CC2)cc1 ZINC000046091807 522222724 /nfs/dbraw/zinc/22/27/24/522222724.db2.gz UELYAEKTWQKENY-QGZVFWFLSA-N 0 3 373.497 1.845 20 10 FDCDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055408215 523808615 /nfs/dbraw/zinc/80/86/15/523808615.db2.gz YOJATTVIXIMADV-QWHCGFSZSA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055408215 523808618 /nfs/dbraw/zinc/80/86/18/523808618.db2.gz YOJATTVIXIMADV-QWHCGFSZSA-N 0 3 369.487 1.614 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCCN1CCC(O)CC1 ZINC000136133617 524185298 /nfs/dbraw/zinc/18/52/98/524185298.db2.gz YMEYGMFAPHSPOI-QPJJXVBHSA-N 0 3 373.497 1.499 20 10 FDCDHN COc1ccc(N2CCCN(C[C@H](O)COC3CCOCC3)CC2)cc1 ZINC000176425940 525118044 /nfs/dbraw/zinc/11/80/44/525118044.db2.gz PKLSQFYPZPCRLU-SFHVURJKSA-N 0 3 364.486 1.764 20 10 FDCDHN CN1CCN([C@@H]2CCCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000181132688 525811113 /nfs/dbraw/zinc/81/11/13/525811113.db2.gz WKHUDMHRUMPXRV-DBWMJRBXSA-N 0 3 359.470 1.740 20 10 FDCDHN COCCN1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000171194788 525889619 /nfs/dbraw/zinc/88/96/19/525889619.db2.gz WYRUKAHMRSACJS-UHFFFAOYSA-N 0 3 352.454 1.802 20 10 FDCDHN Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1[O-] ZINC000182444723 526176059 /nfs/dbraw/zinc/17/60/59/526176059.db2.gz ZEDNPBXYAWIMNV-UHFFFAOYSA-N 0 3 364.471 1.377 20 10 FDCDHN CCOc1ccc(O)c(CNCc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000263722349 537078168 /nfs/dbraw/zinc/07/81/68/537078168.db2.gz WLDQGJGJSWNVJU-UHFFFAOYSA-N 0 3 360.410 1.953 20 10 FDCDHN CN(C)C1(CN(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC000285772288 537267613 /nfs/dbraw/zinc/26/76/13/537267613.db2.gz SBIOWZSJFJXNOS-UHFFFAOYSA-N 0 3 372.513 1.628 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cc1F ZINC000285781543 537277239 /nfs/dbraw/zinc/27/72/39/537277239.db2.gz SXOYZYPYKSZYBX-AWEZNQCLSA-N 0 3 350.438 1.061 20 10 FDCDHN COC(=O)/C=C/c1ccc(N2CCCN([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364955031 537400945 /nfs/dbraw/zinc/40/09/45/537400945.db2.gz NPKFKTVSLCJUGV-DYLGSBMWSA-N 0 3 363.414 1.674 20 10 FDCDHN C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cc(F)ccc1[O-] ZINC000293785201 537588054 /nfs/dbraw/zinc/58/80/54/537588054.db2.gz CCXPIBDEFSHVNT-UHFFFAOYSA-N 0 3 354.403 1.690 20 10 FDCDHN C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cc(F)ccc1[O-] ZINC000293785201 537588063 /nfs/dbraw/zinc/58/80/63/537588063.db2.gz CCXPIBDEFSHVNT-UHFFFAOYSA-N 0 3 354.403 1.690 20 10 FDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285633017 537739119 /nfs/dbraw/zinc/73/91/19/537739119.db2.gz FHKGANSBAFEVBG-HNNXBMFYSA-N 0 3 364.465 1.499 20 10 FDCDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285747871 537754810 /nfs/dbraw/zinc/75/48/10/537754810.db2.gz PPQGVCMRAVESMC-OAHLLOKOSA-N 0 3 360.502 1.532 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000573005771 550044256 /nfs/dbraw/zinc/04/42/56/550044256.db2.gz BAJGEWAJEVKAKR-INIZCTEOSA-N 0 3 370.497 1.903 20 10 FDCDHN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000287420316 675916144 /nfs/dbraw/zinc/91/61/44/675916144.db2.gz ZYYVOZZENUGWEB-IUODEOHRSA-N 0 3 367.471 1.463 20 10 FDCDHN CCCN(CC[NH+]1CCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000287436597 675916381 /nfs/dbraw/zinc/91/63/81/675916381.db2.gz QXQLYPYIBGRBQR-UHFFFAOYSA-N 0 3 369.487 1.712 20 10 FDCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)CCC(=O)OC ZINC000288734485 676047244 /nfs/dbraw/zinc/04/72/44/676047244.db2.gz LTSOGCRMHOMOAI-LBPRGKRZSA-N 0 3 373.247 1.784 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccn3nnnc3c2)N(C)C)cc1 ZINC000891245273 774079049 /nfs/dbraw/zinc/07/90/49/774079049.db2.gz BSFJRXQLXRSDQY-INIZCTEOSA-N 0 3 353.430 1.223 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](c2cncn2C)N(C)C)N(C)C)cc1 ZINC000891246730 774085992 /nfs/dbraw/zinc/08/59/92/774085992.db2.gz CKSWTXGHLVWDFE-MJGOQNOKSA-N 0 3 372.517 1.508 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC000891248007 774099906 /nfs/dbraw/zinc/09/99/06/774099906.db2.gz JVBZFIMYOQEYEI-JZXOWHBKSA-N 0 3 360.502 1.763 20 10 FDCDHN COC(=O)c1cnn(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891248259 774102556 /nfs/dbraw/zinc/10/25/56/774102556.db2.gz XHGYXSHLAORWMT-KRWDZBQOSA-N 0 3 373.457 1.155 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CCn2cnccc2=O)N(C)C)cc1 ZINC000891250155 774120967 /nfs/dbraw/zinc/12/09/67/774120967.db2.gz UZVBUKLUOABDJP-KRWDZBQOSA-N 0 3 357.458 1.119 20 10 FDCDHN COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000891255441 774169743 /nfs/dbraw/zinc/16/97/43/774169743.db2.gz PHYSUDHCPFVRFO-SFHVURJKSA-N 0 3 370.453 1.967 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn3cccnc3n2)N(C)C)cc1 ZINC000891255842 774170809 /nfs/dbraw/zinc/17/08/09/774170809.db2.gz SNWWKJCXQCZFIY-KRWDZBQOSA-N 0 3 352.442 1.828 20 10 FDCDHN COC[C@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893121200 793086976 /nfs/dbraw/zinc/08/69/76/793086976.db2.gz PKYOUQXVERCOGS-DOTOQJQBSA-N 0 3 352.479 1.052 20 10 FDCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000186122061 794875033 /nfs/dbraw/zinc/87/50/33/794875033.db2.gz XWIJARGSAAFBBA-GJZGRUSLSA-N 0 3 364.490 1.787 20 10 FDCDHN COc1ncc(/C=C/C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cn1 ZINC000364336346 795748576 /nfs/dbraw/zinc/74/85/76/795748576.db2.gz KQHWRMOYEKIJFZ-HVHJFMEUSA-N 0 3 354.410 1.854 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCN(C)C2=O)N(C)C)cc1 ZINC000893418000 802603796 /nfs/dbraw/zinc/60/37/96/802603796.db2.gz FVZAYANVSYPKMG-SJORKVTESA-N 0 3 361.490 1.275 20 10 FDCDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(N3CCC(O)CC3)c(F)c2)C1(F)F ZINC000894201989 810887834 /nfs/dbraw/zinc/88/78/34/810887834.db2.gz AMIKCYHBQIOYCT-BBRMVZONSA-N 0 3 372.387 1.931 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCn3ccnc32)N(C)C)cc1 ZINC000895076833 819980112 /nfs/dbraw/zinc/98/01/12/819980112.db2.gz DRJCYRZVQFYJSE-IAGOWNOFSA-N 0 3 356.474 1.996 20 10 FDCDHN CCN1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O ZINC000895186942 821583793 /nfs/dbraw/zinc/58/37/93/821583793.db2.gz ZIEWHUQNBBDYEG-WBVHZDCISA-N 0 3 361.490 1.275 20 10 FDCDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1(F)F ZINC000895334203 822493077 /nfs/dbraw/zinc/49/30/77/822493077.db2.gz LMIOXMULWDVPIV-CVEARBPZSA-N 0 3 354.397 1.792 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC2(CC(N)=O)CC2)N(C)C)cc1 ZINC000895413089 822589247 /nfs/dbraw/zinc/58/92/47/822589247.db2.gz KWUDWWVIQQXVBZ-INIZCTEOSA-N 0 3 361.490 1.310 20 10 FDCDHN COC(=O)/C=C\c1ccc(N2CCN(C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000897099581 827004116 /nfs/dbraw/zinc/00/41/16/827004116.db2.gz NZGVFABSJODZBL-ALCCZGGFSA-N 0 3 362.430 1.465 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000898156640 840834637 /nfs/dbraw/zinc/83/46/37/840834637.db2.gz FBENSPSRNLTFOW-LBPRGKRZSA-N 0 3 350.806 1.918 20 10 FDCDHN COC[C@@H]1COCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095842 845756899 /nfs/dbraw/zinc/75/68/99/845756899.db2.gz NRZQFLIINNJQJY-QZTJIDSGSA-N 0 3 364.490 1.412 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)c2ccnn2C)N(C)C)cc1 ZINC000899097094 845759047 /nfs/dbraw/zinc/75/90/47/845759047.db2.gz ZUXHWSRASWUMPX-MSOLQXFVSA-N 0 3 374.489 1.122 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(F)(F)C[C@@H]2CO)N(C)C)cc1 ZINC000899102059 845774482 /nfs/dbraw/zinc/77/44/82/845774482.db2.gz JVUQHTRRKFKSLP-CVEARBPZSA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC3(C2)OCCO3)N(C)C)cc1 ZINC000899101837 845774590 /nfs/dbraw/zinc/77/45/90/845774590.db2.gz MSBINKGLXYZTHJ-KRWDZBQOSA-N 0 3 362.474 1.514 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](C(N)=O)C(C)(C)C)N(C)C)cc1 ZINC000899104698 845778241 /nfs/dbraw/zinc/77/82/41/845778241.db2.gz SGYAGKBGYZUKFC-JKSUJKDBSA-N 0 3 363.506 1.555 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@](C)(C(N)=O)C2)N(C)C)cc1 ZINC000899105185 845779510 /nfs/dbraw/zinc/77/95/10/845779510.db2.gz VBLNUTBGHFPXGK-QFBILLFUSA-N 0 3 361.490 1.262 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)c2ccnn2C)N(C)C)cc1 ZINC000899098058 845790223 /nfs/dbraw/zinc/79/02/23/845790223.db2.gz LFJIMDLVNKUIQG-FUHWJXTLSA-N 0 3 374.489 1.122 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@](O)(C(F)F)C2)N(C)C)cc1 ZINC000899099289 845793623 /nfs/dbraw/zinc/79/36/23/845793623.db2.gz YKXZILVEZMLUHK-MAUKXSAKSA-N 0 3 370.444 1.767 20 10 FDCDHN COC(=O)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100785 845797653 /nfs/dbraw/zinc/79/76/53/845797653.db2.gz DDRDKAQJWAKWAT-NVXWUHKLSA-N 0 3 362.474 1.560 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000921528514 907597918 /nfs/dbraw/zinc/59/79/18/907597918.db2.gz ABWMCSKTBDRRAR-DOTOQJQBSA-N 0 3 351.422 1.708 20 10 FDCDHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000766254889 925399763 /nfs/dbraw/zinc/39/97/63/925399763.db2.gz UAUSLHAHVIHCOJ-ZWKOTPCHSA-N 0 3 374.529 1.758 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)C[C@H]1[C@@H](C)O)cc2=O ZINC000785541044 931446237 /nfs/dbraw/zinc/44/62/37/931446237.db2.gz OMYXYXOJUIMHKS-ZOWXZIJZSA-N 0 3 362.430 1.593 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000807288260 940302677 /nfs/dbraw/zinc/30/26/77/940302677.db2.gz UQLAQYZMLAMFFA-LJQANCHMSA-N 0 3 368.481 1.376 20 10 FDCDHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c(C)n1-c1ccccn1 ZINC000808159868 940523856 /nfs/dbraw/zinc/52/38/56/940523856.db2.gz LFHKIFHSAUBSOT-IAGOWNOFSA-N 0 3 354.454 1.770 20 10 FDCDHN C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(F)ccc1[O-] ZINC000825284631 947109316 /nfs/dbraw/zinc/10/93/16/947109316.db2.gz UHJMQAUDEFYRST-UHFFFAOYSA-N 0 3 372.393 1.829 20 10 FDCDHN C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(F)ccc1[O-] ZINC000825284631 947109324 /nfs/dbraw/zinc/10/93/24/947109324.db2.gz UHJMQAUDEFYRST-UHFFFAOYSA-N 0 3 372.393 1.829 20 10 FDCDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000775696196 971545991 /nfs/dbraw/zinc/54/59/91/971545991.db2.gz INGVXCADPRSGDD-INIZCTEOSA-N 0 3 353.532 1.693 20 10 FDCDHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775700498 971551233 /nfs/dbraw/zinc/55/12/33/971551233.db2.gz PFZXGIIPOJOHPM-HOTGVXAUSA-N 0 3 353.532 1.692 20 10 FDCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499794 949696235 /nfs/dbraw/zinc/69/62/35/949696235.db2.gz JGACAJRIUYGDNH-ZYHUDNBSSA-N 0 3 354.403 1.263 20 10 FDCDHN CN1CCN(c2ccc(CN3CCN(c4nc(N)ns4)CC3)cc2)CC1 ZINC000775736952 971840768 /nfs/dbraw/zinc/84/07/68/971840768.db2.gz HTUNJZPEQGDIIB-UHFFFAOYSA-N 0 3 373.530 1.194 20 10 FDCDHN NC(=O)c1cccc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC001179608017 964929058 /nfs/dbraw/zinc/92/90/58/964929058.db2.gz OOLWLUWHQOBBHM-UHFFFAOYSA-N 0 3 366.465 1.777 20 10 FDCDHN CCCCOC(=O)CNC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001188304275 966227666 /nfs/dbraw/zinc/22/76/66/966227666.db2.gz GLCCVBYIFOQTJW-UHFFFAOYSA-N 0 3 363.458 1.999 20 10 FDCDHN CCN1CCN(C(=O)[C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256292 966984732 /nfs/dbraw/zinc/98/47/32/966984732.db2.gz WJLLRZPZBQOQNB-MSOLQXFVSA-N 0 3 374.529 1.726 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)[C@@](C)(CO)C3)CC2)cc1 ZINC000852701579 967545279 /nfs/dbraw/zinc/54/52/79/967545279.db2.gz RYKRQQRQPCUFPN-OXQOHEQNSA-N 0 3 361.486 1.294 20 10 FDCDHN CCOC(=O)C1CCN(C(=O)CN[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000775370501 967699395 /nfs/dbraw/zinc/69/93/95/967699395.db2.gz VSPIFUVWLWZTNN-CYBMUJFWSA-N 0 3 364.442 1.853 20 10 FDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1C1CCN([C@H]2CCOC2)CC1 ZINC000853086408 967820823 /nfs/dbraw/zinc/82/08/23/967820823.db2.gz KLNSAXRHYTWEEX-INIZCTEOSA-N 0 3 359.426 1.410 20 10 FDCDHN O=S(=O)(C[C@H]1CCCO1)NC1CCN(Cc2ccccc2O)CC1 ZINC001193298491 969624313 /nfs/dbraw/zinc/62/43/13/969624313.db2.gz ZKBLSRHKUTYEBC-MRXNPFEDSA-N 0 3 354.472 1.455 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)CC1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000863969053 973340282 /nfs/dbraw/zinc/34/02/82/973340282.db2.gz RFHUOULYLBPVKU-MSOLQXFVSA-N 0 3 365.470 1.666 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CC1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000863969053 973340295 /nfs/dbraw/zinc/34/02/95/973340295.db2.gz RFHUOULYLBPVKU-MSOLQXFVSA-N 0 3 365.470 1.666 20 10 FDCDHN CC1CCN(c2ccc(CNC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000847314115 975459169 /nfs/dbraw/zinc/45/91/69/975459169.db2.gz PORRTSMDZAIKEF-VQTJNVASSA-N 0 3 372.513 1.883 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848940457 977268454 /nfs/dbraw/zinc/26/84/54/977268454.db2.gz YAICZTXCKYWXRF-MOPGFXCFSA-N 0 3 372.513 1.844 20 10 FDCDHN O=c1n(CCN(Cc2ccccc2O)C[C@H]2CCCO2)nc2ccccn21 ZINC000109761948 978789971 /nfs/dbraw/zinc/78/99/71/978789971.db2.gz VZKWZGQVEQAQTJ-QGZVFWFLSA-N 0 3 368.437 1.883 20 10 FDCDHN C[C@H](CN1CCOCC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881852277 980215077 /nfs/dbraw/zinc/21/50/77/980215077.db2.gz KBTUSIHZOAYXNN-QGZVFWFLSA-N 0 3 360.502 1.023 20 10 FDCDHN Nc1nc(N)nc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000858428153 982045508 /nfs/dbraw/zinc/04/55/08/982045508.db2.gz OWNMCAPBNLVFSU-VIFPVBQESA-N 0 3 351.361 1.718 20 10 FDCDHN C[N@@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1(C)C ZINC000871154122 986725654 /nfs/dbraw/zinc/72/56/54/986725654.db2.gz COBKRUWCYLCDMN-UHFFFAOYSA-N 0 3 355.460 1.320 20 10 FDCDHN C[N@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1(C)C ZINC000871154122 986725664 /nfs/dbraw/zinc/72/56/64/986725664.db2.gz COBKRUWCYLCDMN-UHFFFAOYSA-N 0 3 355.460 1.320 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000371314232 990354147 /nfs/dbraw/zinc/35/41/47/990354147.db2.gz RCRQINBWUPJLBQ-MJGOQNOKSA-N 0 3 372.513 1.702 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000875005992 990717647 /nfs/dbraw/zinc/71/76/47/990717647.db2.gz DCJBTLCNUAJTEZ-IBGZPJMESA-N 0 3 372.513 1.892 20 10 FDCDHN COC[C@@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCN1 ZINC000876730309 992843428 /nfs/dbraw/zinc/84/34/28/992843428.db2.gz GIGYFZBEJQCOQL-LJQANCHMSA-N 0 3 365.449 1.437 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2C[C@H](O)CN2C)cc1 ZINC000924994319 995220697 /nfs/dbraw/zinc/22/06/97/995220697.db2.gz TXDGWKJZGKYSQV-PMACEKPBSA-N 0 3 369.465 1.630 20 10 FDCDHN C[C@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1O ZINC000926964750 996376843 /nfs/dbraw/zinc/37/68/43/996376843.db2.gz NKAGIBFGTZMMBP-HNNXBMFYSA-N 0 3 355.438 1.818 20 10 FDCDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000284414137 999827976 /nfs/dbraw/zinc/82/79/76/999827976.db2.gz XKMLFIBUGBRGIB-AWEZNQCLSA-N 0 3 364.465 1.356 20 10 FDCDHN O=C(NCc1c(O)cccc1F)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000927868940 1001154289 /nfs/dbraw/zinc/15/42/89/1001154289.db2.gz ZOQUPYRDPDNMBR-KRWDZBQOSA-N 0 3 373.384 1.447 20 10 FDCDHN C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928704888 1001631805 /nfs/dbraw/zinc/63/18/05/1001631805.db2.gz AMTHAAXKEXDPIW-AWEZNQCLSA-N 0 3 369.437 1.993 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929185019 1001797010 /nfs/dbraw/zinc/79/70/10/1001797010.db2.gz KYUISQCRQQYWGO-LJQANCHMSA-N 0 3 369.469 1.534 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)CCc3c[nH]cn3)CC2)cc1 ZINC000188471302 1001903714 /nfs/dbraw/zinc/90/37/14/1001903714.db2.gz KWHJGERTYOYVNM-UHFFFAOYSA-N 0 3 371.485 1.679 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)CCc3cnc[nH]3)CC2)cc1 ZINC000188471302 1001903715 /nfs/dbraw/zinc/90/37/15/1001903715.db2.gz KWHJGERTYOYVNM-UHFFFAOYSA-N 0 3 371.485 1.679 20 10 FDCDHN CC[C@@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929328331 1001940494 /nfs/dbraw/zinc/94/04/94/1001940494.db2.gz RLJUSTVMDLKZEX-DOTOQJQBSA-N 0 3 364.490 1.013 20 10 FDCDHN COCC[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929918380 1002594745 /nfs/dbraw/zinc/59/47/45/1002594745.db2.gz VKTVLFRMGLBNKW-PBHICJAKSA-N 0 3 364.490 1.013 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCSC2)N(C)C)cc1 ZINC000930099529 1002811592 /nfs/dbraw/zinc/81/15/92/1002811592.db2.gz OLHBADAQVKNYHC-GOEBONIOSA-N 0 3 364.515 1.093 20 10 FDCDHN COC1CCN(c2ccc(CN3CCC(OC)(OC)[C@H](O)C3)cc2)CC1 ZINC000931636431 1004344929 /nfs/dbraw/zinc/34/49/29/1004344929.db2.gz WHZXWJFTQMBKME-LJQANCHMSA-N 0 3 364.486 1.858 20 10 FDCDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[N@@H+]1C ZINC000271395185 674339865 /nfs/dbraw/zinc/33/98/65/674339865.db2.gz MQASZMLBQNUNON-DGCLKSJQSA-N 0 3 355.460 1.318 20 10 FDCDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[N@H+]1C ZINC000271395185 674339867 /nfs/dbraw/zinc/33/98/67/674339867.db2.gz MQASZMLBQNUNON-DGCLKSJQSA-N 0 3 355.460 1.318 20 10 FDCDHN Cc1ccc(O)c(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000093562109 524993793 /nfs/dbraw/zinc/99/37/93/524993793.db2.gz QSHXAITYCRKGPD-UHFFFAOYSA-N 0 3 369.469 1.649 20 10 FDCDHN COc1cc(O)c(CN2CCN(CC3CCOCC3)CC2)cc1OC ZINC000179443432 525585210 /nfs/dbraw/zinc/58/52/10/525585210.db2.gz CKDMPTRIDQXMEK-UHFFFAOYSA-N 0 3 350.459 1.954 20 10 FDCDHN C[C@@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034112 525793163 /nfs/dbraw/zinc/79/31/63/525793163.db2.gz UEPFDFATXYFITC-SJLPKXTDSA-N 0 3 360.502 1.336 20 10 FDCDHN COc1ccc([O-])c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000182215149 526096933 /nfs/dbraw/zinc/09/69/33/526096933.db2.gz PAGBXFKGUPQFMU-UHFFFAOYSA-N 0 3 364.414 1.755 20 10 FDCDHN Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c1[O-] ZINC000182402924 526160640 /nfs/dbraw/zinc/16/06/40/526160640.db2.gz YLLZSPNNCSFUEM-UHFFFAOYSA-N 0 3 368.499 1.763 20 10 FDCDHN C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cc(F)ccc1[O-] ZINC000185309684 536204911 /nfs/dbraw/zinc/20/49/11/536204911.db2.gz FOPGJZUDFZRWMJ-CQSZACIVSA-N 0 3 373.432 1.711 20 10 FDCDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000186019856 536223588 /nfs/dbraw/zinc/22/35/88/536223588.db2.gz MIIUNNHOLJCWKI-HUUCEWRRSA-N 0 3 356.488 1.840 20 10 FDCDHN COCCN1CC[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000264574860 537145787 /nfs/dbraw/zinc/14/57/87/537145787.db2.gz TYQJBHGJKNIZNI-WEBJUUICSA-N 0 3 359.470 1.373 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@H]1CCCC[C@H]1O)cc2=O ZINC000272574631 537301015 /nfs/dbraw/zinc/30/10/15/537301015.db2.gz RCHCNNLWGCQCLK-IUODEOHRSA-N 0 3 362.430 1.595 20 10 FDCDHN CN(C)c1ccc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)cc1F ZINC000282337561 537316967 /nfs/dbraw/zinc/31/69/67/537316967.db2.gz UATRYUNJXNDHFY-UHFFFAOYSA-N 0 3 365.497 1.717 20 10 FDCDHN CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278907784 537342630 /nfs/dbraw/zinc/34/26/30/537342630.db2.gz SCGQPJFFTNTREH-CQSZACIVSA-N 0 3 366.462 1.672 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3OCCC[C@H]3C1)cc2=O ZINC000377140150 537957095 /nfs/dbraw/zinc/95/70/95/537957095.db2.gz BNFGUJMGDNCMGE-SWLSCSKDSA-N 0 3 360.414 1.613 20 10 FDCDHN COc1ccc(O)c(CN[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000368625634 537984663 /nfs/dbraw/zinc/98/46/63/537984663.db2.gz QARKTXSWJCRFAK-KRWDZBQOSA-N 0 3 356.426 1.780 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000563838443 546703621 /nfs/dbraw/zinc/70/36/21/546703621.db2.gz WDFLZTVYDUPJPM-ZBFHGGJFSA-N 0 3 368.481 1.798 20 10 FDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000575017431 550409775 /nfs/dbraw/zinc/40/97/75/550409775.db2.gz XJEONMAIZSJIIS-OAHLLOKOSA-N 0 3 356.470 1.703 20 10 FDCDHN C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000272241011 674423972 /nfs/dbraw/zinc/42/39/72/674423972.db2.gz XKNKHYFWHZNNDF-GFCCVEGCSA-N 0 3 369.487 1.566 20 10 FDCDHN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000288535855 676019096 /nfs/dbraw/zinc/01/90/96/676019096.db2.gz UUIWEOSMNSGUCO-OCCSQVGLSA-N 0 3 367.471 1.463 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)N(C)C)c1[O-] ZINC000290985732 676238534 /nfs/dbraw/zinc/23/85/34/676238534.db2.gz UNWDDJYWOYMMPG-UHFFFAOYSA-N 0 3 351.266 1.444 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccsc2)N(C)C)cc1 ZINC000049504481 768871646 /nfs/dbraw/zinc/87/16/46/768871646.db2.gz BFAAMQZDCOMKCB-KRWDZBQOSA-N 0 3 374.510 1.849 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3n[nH]nc32)N(C)C)cc1 ZINC000891248405 774097004 /nfs/dbraw/zinc/09/70/04/774097004.db2.gz MJJWYNKUQKVCBB-OAHLLOKOSA-N 0 3 353.430 1.452 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C(=O)NC3CC3)CCC2)N(C)C)cc1 ZINC000891253476 774144106 /nfs/dbraw/zinc/14/41/06/774144106.db2.gz SQTGFPPGSNYDLK-GOSISDBHSA-N 0 3 372.513 1.920 20 10 FDCDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255119 774157833 /nfs/dbraw/zinc/15/78/33/774157833.db2.gz MWDPRNOXHRATNI-INIZCTEOSA-N 0 3 374.445 1.585 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(N)=O)cs2)N(C)C)cc1 ZINC000891254768 774158667 /nfs/dbraw/zinc/15/86/67/774158667.db2.gz JDDUIPZHBAMPQO-OAHLLOKOSA-N 0 3 360.483 1.946 20 10 FDCDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256833 774166176 /nfs/dbraw/zinc/16/61/76/774166176.db2.gz AAZXOZGZXDZKBD-MRXNPFEDSA-N 0 3 374.445 1.585 20 10 FDCDHN COc1cc(=O)[nH]cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257258 774167168 /nfs/dbraw/zinc/16/71/68/774167168.db2.gz GNKKLCIMWNMBHL-MRXNPFEDSA-N 0 3 358.442 1.895 20 10 FDCDHN CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)ccc21 ZINC000892492829 785262353 /nfs/dbraw/zinc/26/23/53/785262353.db2.gz UOUMDIXJQBTVDH-WOJBJXKFSA-N 0 3 372.513 1.810 20 10 FDCDHN O=C(C[C@H]1CNCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166292779 788678875 /nfs/dbraw/zinc/67/88/75/788678875.db2.gz IXNLKQZNUJVKNC-INIZCTEOSA-N 0 3 369.412 1.752 20 10 FDCDHN NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)cc1 ZINC001083288431 792872562 /nfs/dbraw/zinc/87/25/62/792872562.db2.gz FZIVWAKTAWQQSY-JKSUJKDBSA-N 0 3 357.414 1.784 20 10 FDCDHN C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1cc(F)ccc1[O-] ZINC000363854036 794264819 /nfs/dbraw/zinc/26/48/19/794264819.db2.gz LPQCWZFLCPQGSQ-YOEHRIQHSA-N 0 3 365.449 1.505 20 10 FDCDHN CN(C(=O)c1cccc2c1CCNC2)c1ccc(N2CCOCC2)nc1 ZINC000662799226 803304492 /nfs/dbraw/zinc/30/44/92/803304492.db2.gz VHDYLQQAFHXBEU-UHFFFAOYSA-N 0 3 352.438 1.841 20 10 FDCDHN CN(CCCCCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000278888553 806984652 /nfs/dbraw/zinc/98/46/52/806984652.db2.gz NYOLZPVSFFDOOB-UHFFFAOYSA-N 0 3 367.465 1.373 20 10 FDCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ncn(C)n1 ZINC000894327888 816929799 /nfs/dbraw/zinc/92/97/99/816929799.db2.gz XEKYDAGZFLLEIB-CJNGLKHVSA-N 0 3 359.478 1.544 20 10 FDCDHN COC(=O)NCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895252628 822272779 /nfs/dbraw/zinc/27/27/79/822272779.db2.gz AGEGFSPYXZUKJU-OAHLLOKOSA-N 0 3 351.451 1.011 20 10 FDCDHN COC(=O)C1=CC[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895969035 823847043 /nfs/dbraw/zinc/84/70/43/823847043.db2.gz IXQWDLWXSLIBBJ-AEFFLSMTSA-N 0 3 374.485 1.916 20 10 FDCDHN CCOCc1cc(CN[C@@H]2CN(C(=O)OCC)C[C@H]2CO)ccc1OC ZINC000898359310 840965525 /nfs/dbraw/zinc/96/55/25/840965525.db2.gz OYALETGDPLKGCB-DLBZAZTESA-N 0 3 366.458 1.771 20 10 FDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898365193 840999723 /nfs/dbraw/zinc/99/97/23/840999723.db2.gz WFYCTPLXLHVPPN-JTQLQIEISA-N 0 3 350.806 1.918 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](O)C23CCC3)N(C)C)cc1 ZINC000899097774 845761152 /nfs/dbraw/zinc/76/11/52/845761152.db2.gz GOXKXGDPAWKFQZ-RCCFBDPRSA-N 0 3 360.502 1.958 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CO)c2cnn(C)c2)N(C)C)cc1 ZINC000899101988 845774618 /nfs/dbraw/zinc/77/46/18/845774618.db2.gz JOMWFRBOIVGYCX-ROUUACIJSA-N 0 3 374.489 1.122 20 10 FDCDHN C[C@H]1CC(=O)NCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102986 845775487 /nfs/dbraw/zinc/77/54/87/845775487.db2.gz UBVSTLDFRVCLEO-WMLDXEAASA-N 0 3 361.490 1.275 20 10 FDCDHN C[C@@H]1c2nncn2CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103388 845776616 /nfs/dbraw/zinc/77/66/16/845776616.db2.gz LIPLPYQJXVDTIA-PBHICJAKSA-N 0 3 371.489 1.733 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H](O)CC(F)(F)C2)N(C)C)cc1 ZINC000899103541 845776644 /nfs/dbraw/zinc/77/66/44/845776644.db2.gz MPPAMHDHIPCHQG-JKSUJKDBSA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@H](O)CC(F)(F)C2)N(C)C)cc1 ZINC000899103532 845776683 /nfs/dbraw/zinc/77/66/83/845776683.db2.gz MPPAMHDHIPCHQG-CVEARBPZSA-N 0 3 370.444 1.767 20 10 FDCDHN CC(C)N(C[C@@H](O)CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098656 845792434 /nfs/dbraw/zinc/79/24/34/845792434.db2.gz QRPRTHCLFOGICG-MSOLQXFVSA-N 0 3 366.506 1.129 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCN(C)CC(F)F)N(C)C)cc1 ZINC000899099142 845793655 /nfs/dbraw/zinc/79/36/55/845793655.db2.gz VYWSOFUQPYUUNK-INIZCTEOSA-N 0 3 371.476 1.851 20 10 FDCDHN Cc1noc(C2CN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)C2)n1 ZINC000899100962 845798916 /nfs/dbraw/zinc/79/89/16/845798916.db2.gz DXKNEPFEJXWNEP-KRWDZBQOSA-N 0 3 372.473 1.856 20 10 FDCDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899472799 846276229 /nfs/dbraw/zinc/27/62/29/846276229.db2.gz JYLAVMSKGICMJE-LJQANCHMSA-N 0 3 372.513 1.879 20 10 FDCDHN COC(=O)CCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724194 846625542 /nfs/dbraw/zinc/62/55/42/846625542.db2.gz KUBKKUIAFFZOIU-INIZCTEOSA-N 0 3 366.531 1.773 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000763031090 877599053 /nfs/dbraw/zinc/59/90/53/877599053.db2.gz RXIXJYHGHJPUQC-UHFFFAOYSA-N 0 3 360.502 1.418 20 10 FDCDHN CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000772602523 931396137 /nfs/dbraw/zinc/39/61/37/931396137.db2.gz ZSFNUIJSWJDXFS-KRWDZBQOSA-N 0 3 367.515 1.284 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)C[C@@H]1[C@@H](C)O)cc2=O ZINC000785541042 931445893 /nfs/dbraw/zinc/44/58/93/931445893.db2.gz OMYXYXOJUIMHKS-YWPYICTPSA-N 0 3 362.430 1.593 20 10 FDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290065 940304207 /nfs/dbraw/zinc/30/42/07/940304207.db2.gz CPNHBJPJLFBTTB-GOSISDBHSA-N 0 3 356.470 1.280 20 10 FDCDHN O=C1[C@@H](NCc2ccc(N3CCOCC3)cc2)CCN1C1CCOCC1 ZINC000747621897 941033715 /nfs/dbraw/zinc/03/37/15/941033715.db2.gz FTJAMULYXYLLKY-IBGZPJMESA-N 0 3 359.470 1.393 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCc3nnnn3CC2)c1[O-] ZINC000817418933 942770889 /nfs/dbraw/zinc/77/08/89/942770889.db2.gz LKQJPJWKLMYKNO-LBPRGKRZSA-N 0 3 352.236 1.944 20 10 FDCDHN COCCN(CCN(C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997109 943100834 /nfs/dbraw/zinc/10/08/34/943100834.db2.gz SUPBQCFPOQMHHV-UHFFFAOYSA-N 0 3 362.499 1.966 20 10 FDCDHN [NH3+]CCN=c1ccc(Br)cn1C(=O)c1cccc(O)c1[O-] ZINC001148224003 952654310 /nfs/dbraw/zinc/65/43/10/952654310.db2.gz BAPMZJODXVJFIS-UHFFFAOYSA-N 0 3 352.188 1.210 20 10 FDCDHN CNC(=O)[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC001178482980 964257049 /nfs/dbraw/zinc/25/70/49/964257049.db2.gz OJGVFECPDKTNBV-FQEVSTJZSA-N 0 3 353.466 1.970 20 10 FDCDHN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775253658 966988782 /nfs/dbraw/zinc/98/87/82/966988782.db2.gz AQCGHAGHFZUWKN-IXDOHACOSA-N 0 3 361.486 1.810 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@](O)(C4CC4)C3)CC2)cc1 ZINC000852502571 967379513 /nfs/dbraw/zinc/37/95/13/967379513.db2.gz JSBBAAXNLSNFDY-NRFANRHFSA-N 0 3 373.497 1.581 20 10 FDCDHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775369950 967715030 /nfs/dbraw/zinc/71/50/30/967715030.db2.gz JGNVCPWQRZVTNR-DOMZBBRYSA-N 0 3 352.431 1.755 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 ZINC000775376343 967766408 /nfs/dbraw/zinc/76/64/08/967766408.db2.gz UDVUGJXRTARKBB-ZIAGYGMSSA-N 0 3 363.458 1.569 20 10 FDCDHN COc1ccc(-n2c(C)cc(C(=O)N3CCOC4(CNC4)C3)c2C)cc1 ZINC000854015918 968532179 /nfs/dbraw/zinc/53/21/79/968532179.db2.gz WMHCKXQDBHGUDQ-UHFFFAOYSA-N 0 3 355.438 1.917 20 10 FDCDHN O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000863642699 973078959 /nfs/dbraw/zinc/07/89/59/973078959.db2.gz VQXJAOORSHIZDV-CABCVRRESA-N 0 3 369.824 1.942 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2nnnn2C)c1[O-] ZINC000848532399 976894506 /nfs/dbraw/zinc/89/45/06/976894506.db2.gz HCOOPDBSXCXEBD-QMMMGPOBSA-N 0 3 356.224 1.580 20 10 FDCDHN N[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1F ZINC000851655553 978986189 /nfs/dbraw/zinc/98/61/89/978986189.db2.gz SZGFUOAGGJIQKX-UKRRQHHQSA-N 0 3 354.401 1.243 20 10 FDCDHN COCC[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000884203843 982979352 /nfs/dbraw/zinc/97/93/52/982979352.db2.gz GRTRRYQRWYBWLC-HNNXBMFYSA-N 0 3 357.401 1.737 20 10 FDCDHN COc1cc(Cl)cc(CN2CCC(n3cc(C(N)=O)nn3)CC2)c1O ZINC000862483163 984398950 /nfs/dbraw/zinc/39/89/50/984398950.db2.gz HMDCFXNGYCAXFC-UHFFFAOYSA-N 0 3 365.821 1.582 20 10 FDCDHN COc1cc(O)c(CNCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000862536730 984407620 /nfs/dbraw/zinc/40/76/20/984407620.db2.gz SZFVZVVCQJXZNF-UHFFFAOYSA-N 0 3 374.393 1.909 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)c(OC)c1 ZINC000870167139 985763485 /nfs/dbraw/zinc/76/34/85/985763485.db2.gz BSYFOBDDOXNGNL-GOSISDBHSA-N 0 3 359.470 1.979 20 10 FDCDHN C[C@@](O)(C[C@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000872209672 987516599 /nfs/dbraw/zinc/51/65/99/987516599.db2.gz OOCABLATDUUFHJ-HNAYVOBHSA-N 0 3 370.440 1.803 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C)c3ccnn3C)CC2)cc1 ZINC000872240679 987536496 /nfs/dbraw/zinc/53/64/96/987536496.db2.gz YSCFXEQIKNHVMU-FUHWJXTLSA-N 0 3 373.501 1.262 20 10 FDCDHN O=S1(=O)CCC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000873130976 988593947 /nfs/dbraw/zinc/59/39/47/988593947.db2.gz NEEPWXWHUUYMPD-AWEZNQCLSA-N 0 3 374.453 1.858 20 10 FDCDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000369024125 989020342 /nfs/dbraw/zinc/02/03/42/989020342.db2.gz CBXUCZZDNUKKQO-OAHLLOKOSA-N 0 3 358.442 1.871 20 10 FDCDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000369024125 989020351 /nfs/dbraw/zinc/02/03/51/989020351.db2.gz CBXUCZZDNUKKQO-OAHLLOKOSA-N 0 3 358.442 1.871 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000297719972 989656607 /nfs/dbraw/zinc/65/66/07/989656607.db2.gz DVWXKTWCKHXFTR-LJQANCHMSA-N 0 3 372.513 1.798 20 10 FDCDHN CCN1CCO[C@H](CN2CCN([C@@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631104 989686695 /nfs/dbraw/zinc/68/66/95/989686695.db2.gz ONOKGCYKIDEURV-WMZOPIPTSA-N 0 3 363.502 1.800 20 10 FDCDHN Cc1ccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(O)c1 ZINC000876755870 992879135 /nfs/dbraw/zinc/87/91/35/992879135.db2.gz MVLQXVAGAIKFHC-UHFFFAOYSA-N 0 3 369.469 1.649 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3cc(OC)c(OC)cc3O)C2)nn1 ZINC000375201285 993024160 /nfs/dbraw/zinc/02/41/60/993024160.db2.gz LIFKXROIRIWACP-GFCCVEGCSA-N 0 3 362.386 1.235 20 10 FDCDHN CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879648986 995135095 /nfs/dbraw/zinc/13/50/95/995135095.db2.gz IODLFFMVRJMMSZ-RBSFLKMASA-N 0 3 368.499 1.857 20 10 FDCDHN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000777558817 995522888 /nfs/dbraw/zinc/52/28/88/995522888.db2.gz UPTDHTWVPXLUQP-FXAWDEMLSA-N 0 3 352.390 1.914 20 10 FDCDHN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000777558817 995522897 /nfs/dbraw/zinc/52/28/97/995522897.db2.gz UPTDHTWVPXLUQP-FXAWDEMLSA-N 0 3 352.390 1.914 20 10 FDCDHN Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)[nH]1 ZINC000889662761 998512843 /nfs/dbraw/zinc/51/28/43/998512843.db2.gz JASZWVKITLRLMM-CYBMUJFWSA-N 0 3 357.462 1.425 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COC1CCOCC1)C[C@H]1CCCO1 ZINC000268012872 999412525 /nfs/dbraw/zinc/41/25/25/999412525.db2.gz RRGNBBGAJOXYKH-IEBWSBKVSA-N 0 3 365.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COC1CCOCC1)C[C@H]1CCCO1 ZINC000268012872 999412530 /nfs/dbraw/zinc/41/25/30/999412530.db2.gz RRGNBBGAJOXYKH-IEBWSBKVSA-N 0 3 365.470 1.930 20 10 FDCDHN CCN(CC)CC(=O)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271092756 999660200 /nfs/dbraw/zinc/66/02/00/999660200.db2.gz LMGSVKKSMIFZED-UHFFFAOYSA-N 0 3 365.474 1.395 20 10 FDCDHN CC(C)[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000934314849 1005731565 /nfs/dbraw/zinc/73/15/65/1005731565.db2.gz YDJWPQZIUYTMPB-QAPCUYQASA-N 0 3 362.518 1.974 20 10 FDCDHN CC(C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)S(C)(=O)=O ZINC000055531064 523821400 /nfs/dbraw/zinc/82/14/00/523821400.db2.gz KGGSDBFONQZDSB-FRRDWIJNSA-N 0 3 372.462 1.489 20 10 FDCDHN CN(C)CCN1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000114676409 524850524 /nfs/dbraw/zinc/85/05/24/524850524.db2.gz NQOIMOSNELLCLF-VMPITWQZSA-N 0 3 372.513 1.242 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3C[C@H](C)O)CC2)cc1 ZINC000152549389 524922758 /nfs/dbraw/zinc/92/27/58/524922758.db2.gz WRSMRNWGVSJYMC-WMZOPIPTSA-N 0 3 361.486 1.579 20 10 FDCDHN COc1ccc(O)c(CNCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000182657611 535841393 /nfs/dbraw/zinc/84/13/93/535841393.db2.gz PYEJBMJONVYFDU-UHFFFAOYSA-N 0 3 356.469 1.873 20 10 FDCDHN CCN1CCN(c2ccc(CN[C@@H](C)CS(C)(=O)=O)cc2F)CC1 ZINC000182885132 535880685 /nfs/dbraw/zinc/88/06/85/535880685.db2.gz MRALDFCVTASIKP-AWEZNQCLSA-N 0 3 357.495 1.490 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2F)CC1 ZINC000269314281 537019385 /nfs/dbraw/zinc/01/93/85/537019385.db2.gz YMQBTIIBUSMKBI-QGZVFWFLSA-N 0 3 350.482 1.957 20 10 FDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285809426 537301389 /nfs/dbraw/zinc/30/13/89/537301389.db2.gz WNFNJEJKIDQLIQ-UHFFFAOYSA-N 0 3 352.454 1.307 20 10 FDCDHN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000290565880 537373452 /nfs/dbraw/zinc/37/34/52/537373452.db2.gz KLODMRSIEITFEQ-GFCCVEGCSA-N 0 3 357.476 1.614 20 10 FDCDHN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000290565880 537373453 /nfs/dbraw/zinc/37/34/53/537373453.db2.gz KLODMRSIEITFEQ-GFCCVEGCSA-N 0 3 357.476 1.614 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000364810011 537400329 /nfs/dbraw/zinc/40/03/29/537400329.db2.gz YNUCJOBNTOBMFS-ICSRJNTNSA-N 0 3 359.470 1.501 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)CN(C)C)CC2)cc1 ZINC000287094669 537439355 /nfs/dbraw/zinc/43/93/55/537439355.db2.gz DCZWPKVLXGVLIH-INIZCTEOSA-N 0 3 363.506 1.067 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000563838442 546703948 /nfs/dbraw/zinc/70/39/48/546703948.db2.gz WDFLZTVYDUPJPM-HOCLYGCPSA-N 0 3 368.481 1.798 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000576780488 550585149 /nfs/dbraw/zinc/58/51/49/550585149.db2.gz ZSKQLRGOCVGWOU-SCLBCKFNSA-N 0 3 356.470 1.511 20 10 FDCDHN CN(C)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1F ZINC000736774648 598528023 /nfs/dbraw/zinc/52/80/23/598528023.db2.gz WIEWUEOBBHSVAK-GFCCVEGCSA-N 0 3 371.424 1.100 20 10 FDCDHN CN(C)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1F ZINC000736774648 598528025 /nfs/dbraw/zinc/52/80/25/598528025.db2.gz WIEWUEOBBHSVAK-GFCCVEGCSA-N 0 3 371.424 1.100 20 10 FDCDHN CCOc1cccc(CNCCS(=O)(=O)NC[C@@H]2CCCCO2)c1O ZINC000264741478 672923765 /nfs/dbraw/zinc/92/37/65/672923765.db2.gz OZCYAPDTXSQHSW-HNNXBMFYSA-N 0 3 372.487 1.369 20 10 FDCDHN N[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000282424023 675628841 /nfs/dbraw/zinc/62/88/41/675628841.db2.gz DYEQRQDFFFYTRE-QGZVFWFLSA-N 0 3 351.422 1.032 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)cc1F ZINC000297236537 676425355 /nfs/dbraw/zinc/42/53/55/676425355.db2.gz NOOSZGQNTHIJNP-HNNXBMFYSA-N 0 3 352.454 1.538 20 10 FDCDHN COCCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891245982 774083244 /nfs/dbraw/zinc/08/32/44/774083244.db2.gz LDEMPXVBUMDAOD-SFHVURJKSA-N 0 3 359.474 1.628 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn3c(n2)COCC3)N(C)C)cc1 ZINC000891245977 774083585 /nfs/dbraw/zinc/08/35/85/774083585.db2.gz LCVPVQASJDPFGS-KRWDZBQOSA-N 0 3 357.458 1.512 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccn2)N(C)C)cc1 ZINC000891250514 774115183 /nfs/dbraw/zinc/11/51/83/774115183.db2.gz ASDONACWAWGEND-SFHVURJKSA-N 0 3 369.469 1.297 20 10 FDCDHN COCc1nn(C)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250597 774115298 /nfs/dbraw/zinc/11/52/98/774115298.db2.gz XUQZKTVFEIXJFJ-SFHVURJKSA-N 0 3 359.474 1.665 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(N)=O)cn2C)N(C)C)cc1 ZINC000891253373 774142268 /nfs/dbraw/zinc/14/22/68/774142268.db2.gz RSFICCHWQCTFHK-QGZVFWFLSA-N 0 3 357.458 1.223 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn3cccnc23)N(C)C)cc1 ZINC000891255129 774157909 /nfs/dbraw/zinc/15/79/09/774157909.db2.gz NADPAVXIUFAHSA-KRWDZBQOSA-N 0 3 352.442 1.828 20 10 FDCDHN COC(=O)c1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891255165 774159010 /nfs/dbraw/zinc/15/90/10/774159010.db2.gz NHIAXNQKSRMWRU-SFHVURJKSA-N 0 3 370.453 1.967 20 10 FDCDHN COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891256266 774163210 /nfs/dbraw/zinc/16/32/10/774163210.db2.gz WSQCFQOBJUFOGH-GOSISDBHSA-N 0 3 370.453 1.967 20 10 FDCDHN CN1CCN(c2ncccc2CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276610401 778405243 /nfs/dbraw/zinc/40/52/43/778405243.db2.gz PKHSSDROWQUYSB-UHFFFAOYSA-N 0 3 360.389 1.314 20 10 FDCDHN COC(=O)CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])C1CCOCC1 ZINC000892131122 781695075 /nfs/dbraw/zinc/69/50/75/781695075.db2.gz VRFKGCUEJTUTDO-UHFFFAOYSA-N 0 3 353.415 1.954 20 10 FDCDHN COC(=O)CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])C1CCOCC1 ZINC000892131122 781695078 /nfs/dbraw/zinc/69/50/78/781695078.db2.gz VRFKGCUEJTUTDO-UHFFFAOYSA-N 0 3 353.415 1.954 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1F ZINC000892486258 785183055 /nfs/dbraw/zinc/18/30/55/785183055.db2.gz TVURPUPOJAHWTB-MSOLQXFVSA-N 0 3 364.465 1.632 20 10 FDCDHN CCN(CC)c1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000178908033 816441250 /nfs/dbraw/zinc/44/12/50/816441250.db2.gz IFDNWKDKZNZLHA-IBGZPJMESA-N 0 3 374.529 1.556 20 10 FDCDHN CCN1CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000894678372 818301129 /nfs/dbraw/zinc/30/11/29/818301129.db2.gz HJEWPGKJCBIQIP-IAGOWNOFSA-N 0 3 361.490 1.275 20 10 FDCDHN COc1ccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c(O)c1OC ZINC000894768744 818416407 /nfs/dbraw/zinc/41/64/07/818416407.db2.gz ZSOLARRWIBWDQH-OAHLLOKOSA-N 0 3 363.458 1.196 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@]2(O)CCOC2)N(C)C)cc1 ZINC000895555438 822649840 /nfs/dbraw/zinc/64/98/40/822649840.db2.gz MRUONRROBNVLKV-MJGOQNOKSA-N 0 3 364.490 1.196 20 10 FDCDHN CON(C)C(=O)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896055821 823981588 /nfs/dbraw/zinc/98/15/88/823981588.db2.gz VEXYPSJURVHLES-CJNGLKHVSA-N 0 3 365.478 1.063 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCO[C@H]2CCOC2)N(C)C)cc1 ZINC000896734327 824840811 /nfs/dbraw/zinc/84/08/11/824840811.db2.gz XXWGAJOQQKVMPV-ROUUACIJSA-N 0 3 364.490 1.460 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(N3CCCC3=O)C2)N(C)C)cc1 ZINC000899095391 845756390 /nfs/dbraw/zinc/75/63/90/845756390.db2.gz JBYCXRKESNHFHK-GOSISDBHSA-N 0 3 373.501 1.372 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)N(C)C)cc1 ZINC000899103663 845776624 /nfs/dbraw/zinc/77/66/24/845776624.db2.gz OCTMMWCELNSDOC-SFHVURJKSA-N 0 3 373.501 1.372 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CCOCCO)N(C)C)cc1 ZINC000899104251 845777209 /nfs/dbraw/zinc/77/72/09/845777209.db2.gz RFEZAQXPYZHERS-QGZVFWFLSA-N 0 3 352.479 1.006 20 10 FDCDHN CC(C)[C@@H](CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105800 845780149 /nfs/dbraw/zinc/78/01/49/845780149.db2.gz ZAIUORJNOWTTQK-AEFFLSMTSA-N 0 3 350.507 1.919 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2Cc3cncn3C2)N(C)C)cc1 ZINC000899099154 845793873 /nfs/dbraw/zinc/79/38/73/845793873.db2.gz WELLVSNOXXWDMY-YJBOKZPZSA-N 0 3 356.474 1.476 20 10 FDCDHN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000914153809 871128166 /nfs/dbraw/zinc/12/81/66/871128166.db2.gz LKQAZCXHBOQDKG-GUYCJALGSA-N 0 3 354.472 1.867 20 10 FDCDHN COC(=O)CCN1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000154740191 884579345 /nfs/dbraw/zinc/57/93/45/884579345.db2.gz JCGWSCXNMWWEMJ-QGZVFWFLSA-N 0 3 361.486 1.592 20 10 FDCDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000730842348 917357304 /nfs/dbraw/zinc/35/73/04/917357304.db2.gz XCJKGAOWOHVPAU-CHWSQXEVSA-N 0 3 369.487 1.756 20 10 FDCDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769863481 929705155 /nfs/dbraw/zinc/70/51/55/929705155.db2.gz IUTKRQMLXJLDPC-LBPRGKRZSA-N 0 3 355.460 1.368 20 10 FDCDHN COC(=O)c1cccc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)n1 ZINC000787280240 932242346 /nfs/dbraw/zinc/24/23/46/932242346.db2.gz TZQJJTNYSNGBQQ-LLVKDONJSA-N 0 3 359.382 1.872 20 10 FDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000787750828 932386333 /nfs/dbraw/zinc/38/63/33/932386333.db2.gz IJERYIIEPTWDNP-HZPDHXFCSA-N 0 3 360.502 1.920 20 10 FDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000804425139 938429150 /nfs/dbraw/zinc/42/91/50/938429150.db2.gz SMYLQJMVPZAOBI-CRAIPNDOSA-N 0 3 360.502 1.920 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804731965 938557427 /nfs/dbraw/zinc/55/74/27/938557427.db2.gz ZUAOMOVOMWGQDX-SFHVURJKSA-N 0 3 372.513 1.702 20 10 FDCDHN CC(C)N1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806279858 939878221 /nfs/dbraw/zinc/87/82/21/939878221.db2.gz BXIAQCZLCOTIHL-UHFFFAOYSA-N 0 3 370.544 1.684 20 10 FDCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1[O-] ZINC000809726588 940892577 /nfs/dbraw/zinc/89/25/77/940892577.db2.gz LMZYURLCBXAPOG-CQSZACIVSA-N 0 3 361.895 1.714 20 10 FDCDHN COc1cc(Br)cc(CNCCS(=O)(=O)N(C)C)c1O ZINC000810181496 940963908 /nfs/dbraw/zinc/96/39/08/940963908.db2.gz NQPFSCDFDVFPFF-UHFFFAOYSA-N 0 3 367.265 1.144 20 10 FDCDHN CN(C)c1ccc(CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C2CC2)cc1 ZINC000817763963 942956188 /nfs/dbraw/zinc/95/61/88/942956188.db2.gz LJVMMEKRSPZYRK-IBGZPJMESA-N 0 3 372.513 1.796 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000825112224 946978980 /nfs/dbraw/zinc/97/89/80/946978980.db2.gz RRQYRRVEBRWPFR-UHFFFAOYSA-N 0 3 359.264 1.710 20 10 FDCDHN Oc1cc(O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c1 ZINC001144500116 949697145 /nfs/dbraw/zinc/69/71/45/949697145.db2.gz PHYAVNLXMKASFF-UHFFFAOYSA-N 0 3 358.394 1.850 20 10 FDCDHN CN(C)C(=O)c1cccnc1N1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144515643 949806833 /nfs/dbraw/zinc/80/68/33/949806833.db2.gz UEOHHQNOYXUYDL-UHFFFAOYSA-N 0 3 372.425 1.222 20 10 FDCDHN O=C(c1cccc(O)c1[O-])N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001148213461 952647702 /nfs/dbraw/zinc/64/77/02/952647702.db2.gz BMKRVFDDUVNMHB-HXPMCKFVSA-N 0 3 373.384 1.800 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774690216 963312977 /nfs/dbraw/zinc/31/29/77/963312977.db2.gz PQUPUYJEEPIZON-HEHGZKQESA-N 0 3 351.399 1.361 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774690216 963312985 /nfs/dbraw/zinc/31/29/85/963312985.db2.gz PQUPUYJEEPIZON-HEHGZKQESA-N 0 3 351.399 1.361 20 10 FDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775062506 964883883 /nfs/dbraw/zinc/88/38/83/964883883.db2.gz AMQBVCMTWSMTNE-GFCCVEGCSA-N 0 3 350.375 1.345 20 10 FDCDHN COc1c([O-])c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775062506 964883894 /nfs/dbraw/zinc/88/38/94/964883894.db2.gz AMQBVCMTWSMTNE-GFCCVEGCSA-N 0 3 350.375 1.345 20 10 FDCDHN C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC000854738891 969933800 /nfs/dbraw/zinc/93/38/00/969933800.db2.gz QFXBFNQCQHHWIP-QGZVFWFLSA-N 0 3 367.471 1.322 20 10 FDCDHN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC000854738891 969933806 /nfs/dbraw/zinc/93/38/06/969933806.db2.gz QFXBFNQCQHHWIP-QGZVFWFLSA-N 0 3 367.471 1.322 20 10 FDCDHN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855287987 970271504 /nfs/dbraw/zinc/27/15/04/970271504.db2.gz DTBGEZRZSUYTNU-LBPRGKRZSA-N 0 3 355.460 1.366 20 10 FDCDHN CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855287987 970271509 /nfs/dbraw/zinc/27/15/09/970271509.db2.gz DTBGEZRZSUYTNU-LBPRGKRZSA-N 0 3 355.460 1.366 20 10 FDCDHN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CC[N@H+](CC)C1 ZINC000855491734 970414257 /nfs/dbraw/zinc/41/42/57/970414257.db2.gz SXSYIIWODRZICY-ZDUSSCGKSA-N 0 3 355.460 1.320 20 10 FDCDHN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000855491734 970414260 /nfs/dbraw/zinc/41/42/60/970414260.db2.gz SXSYIIWODRZICY-ZDUSSCGKSA-N 0 3 355.460 1.320 20 10 FDCDHN CCN1CCN(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000105318739 974552174 /nfs/dbraw/zinc/55/21/74/974552174.db2.gz MXDIRLJBRWNYOI-UHFFFAOYSA-N 0 3 355.486 1.856 20 10 FDCDHN COCCN(C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852063851 979319121 /nfs/dbraw/zinc/31/91/21/979319121.db2.gz SKMGWUXLHNZJRK-OAHLLOKOSA-N 0 3 350.463 1.151 20 10 FDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000884010492 982699824 /nfs/dbraw/zinc/69/98/24/982699824.db2.gz DQLUCTRDNURIOB-PREGVCBESA-N 0 3 367.515 1.472 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](CO)CN(C)C)ccc1C ZINC000861717953 983867914 /nfs/dbraw/zinc/86/79/14/983867914.db2.gz IVSSTABZHGJUEO-SFHVURJKSA-N 0 3 357.454 1.867 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)Cn3ccnc3C3CC3)CC2)cc1 ZINC000871983328 987407061 /nfs/dbraw/zinc/40/70/61/987407061.db2.gz BHOQUUPGNXBXBO-SFHVURJKSA-N 0 3 356.470 1.952 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3ccc(C)o3)CC2)cc1 ZINC000872223937 987524972 /nfs/dbraw/zinc/52/49/72/987524972.db2.gz PVMFBZXKPFLBRG-SFHVURJKSA-N 0 3 359.470 1.869 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN[C@H](C)c3ccnn3C)CC2)cc1 ZINC000872240680 987536552 /nfs/dbraw/zinc/53/65/52/987536552.db2.gz YSCFXEQIKNHVMU-SJLPKXTDSA-N 0 3 373.501 1.262 20 10 FDCDHN C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000874835251 990558788 /nfs/dbraw/zinc/55/87/88/990558788.db2.gz XSEMLFCZYDILFJ-UONOGXRCSA-N 0 3 353.444 1.072 20 10 FDCDHN C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000874835251 990558791 /nfs/dbraw/zinc/55/87/91/990558791.db2.gz XSEMLFCZYDILFJ-UONOGXRCSA-N 0 3 353.444 1.072 20 10 FDCDHN CN1CCc2cc(CNC(=O)N3CCN(CC4CCOCC4)CC3)ccc21 ZINC000372452463 991119123 /nfs/dbraw/zinc/11/91/23/991119123.db2.gz ANLBPZBRJWNUMF-UHFFFAOYSA-N 0 3 372.513 1.933 20 10 FDCDHN CN(C)C[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876741970 992859502 /nfs/dbraw/zinc/85/95/02/992859502.db2.gz PXEOIBLTGFLYJD-HNNXBMFYSA-N 0 3 356.417 1.262 20 10 FDCDHN O=C(NC1CC1)N[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877352126 993238596 /nfs/dbraw/zinc/23/85/96/993238596.db2.gz BLYBPDZUYSXOKL-QGZVFWFLSA-N 0 3 358.486 1.684 20 10 FDCDHN OCc1cn([C@H]2CCCN(Cc3ccc(N4CCC(O)CC4)cc3)C2)nn1 ZINC000877552498 993335844 /nfs/dbraw/zinc/33/58/44/993335844.db2.gz VCUHUBUVGDRGJE-IBGZPJMESA-N 0 3 371.485 1.569 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C(C)(C)O)C3)CC2)cc1 ZINC000880139042 995676729 /nfs/dbraw/zinc/67/67/29/995676729.db2.gz LPAVOAGQTJJVFZ-INIZCTEOSA-N 0 3 361.486 1.437 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccn2C)N(C)C)cc1 ZINC000929471620 1002093269 /nfs/dbraw/zinc/09/32/69/1002093269.db2.gz VQUIJWRFSQTLLB-GOSISDBHSA-N 0 3 371.485 1.126 20 10 FDCDHN CN(Cc1ccccc1O)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929976227 1002684346 /nfs/dbraw/zinc/68/43/46/1002684346.db2.gz MEJFNKIFNQJIKT-INIZCTEOSA-N 0 3 370.515 1.826 20 10 FDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929976227 1002684357 /nfs/dbraw/zinc/68/43/57/1002684357.db2.gz MEJFNKIFNQJIKT-INIZCTEOSA-N 0 3 370.515 1.826 20 10 FDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929976227 1002684372 /nfs/dbraw/zinc/68/43/72/1002684372.db2.gz MEJFNKIFNQJIKT-INIZCTEOSA-N 0 3 370.515 1.826 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2nccn(C)c2=O)N(C)C)cc1 ZINC000930710223 1003422354 /nfs/dbraw/zinc/42/23/54/1003422354.db2.gz ZWHLYCRYERUROP-OAHLLOKOSA-N 0 3 358.446 1.271 20 10 FDCDHN COC1CCN(c2ccc(CN3CCC(OC)(OC)[C@@H](O)C3)cc2)CC1 ZINC000931636430 1004345599 /nfs/dbraw/zinc/34/55/99/1004345599.db2.gz WHZXWJFTQMBKME-IBGZPJMESA-N 0 3 364.486 1.858 20 10 FDCDHN CCN(CC1CC1)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000934317673 1005731958 /nfs/dbraw/zinc/73/19/58/1005731958.db2.gz UKGMPYWRIJXGAM-GOSISDBHSA-N 0 3 360.502 1.730 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000049992457 522875052 /nfs/dbraw/zinc/87/50/52/522875052.db2.gz CBOGRTZZICPALD-ZDUSSCGKSA-N 0 3 353.444 1.074 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000049992457 522875061 /nfs/dbraw/zinc/87/50/61/522875061.db2.gz CBOGRTZZICPALD-ZDUSSCGKSA-N 0 3 353.444 1.074 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC000153693714 525288856 /nfs/dbraw/zinc/28/88/56/525288856.db2.gz NHZDUJHFIUQCHE-FQEVSTJZSA-N 0 3 359.470 1.456 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)[C@@]3(F)CCNC3)CC2)cc1 ZINC000178872321 525495535 /nfs/dbraw/zinc/49/55/35/525495535.db2.gz BNITWORJDMAETD-LJQANCHMSA-N 0 3 364.465 1.025 20 10 FDCDHN CCS(=O)(=O)NCCCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000178899589 525499724 /nfs/dbraw/zinc/49/97/24/525499724.db2.gz CIEGRXUTMJMDBN-UHFFFAOYSA-N 0 3 355.504 1.537 20 10 FDCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000181043589 525796489 /nfs/dbraw/zinc/79/64/89/525796489.db2.gz JASJWUHEGWAJDM-PKOBYXMFSA-N 0 3 374.529 1.726 20 10 FDCDHN O=S(=O)(CCNCc1cc2c(cc1O)OCO2)NCc1ccccc1 ZINC000263671369 537059968 /nfs/dbraw/zinc/05/99/68/537059968.db2.gz JUIXDRKDSQHSAR-UHFFFAOYSA-N 0 3 364.423 1.330 20 10 FDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283888339 537389932 /nfs/dbraw/zinc/38/99/32/537389932.db2.gz FVTBUIQTRRSPGM-IBGZPJMESA-N 0 3 372.513 1.894 20 10 FDCDHN CCN1CC[C@H]2OCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)[C@H]2C1 ZINC000293301540 537412645 /nfs/dbraw/zinc/41/26/45/537412645.db2.gz PMYXQPMTBCOXRA-VQTJNVASSA-N 0 3 374.529 1.506 20 10 FDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285633020 537739095 /nfs/dbraw/zinc/73/90/95/537739095.db2.gz FHKGANSBAFEVBG-OAHLLOKOSA-N 0 3 364.465 1.499 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)cc1F ZINC000285743527 537754088 /nfs/dbraw/zinc/75/40/88/537754088.db2.gz PJJDMUGFGMYKPE-HNNXBMFYSA-N 0 3 364.465 1.308 20 10 FDCDHN COc1ccc(O)c(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000074261636 671409659 /nfs/dbraw/zinc/40/96/59/671409659.db2.gz RIKJGLANAIYAAS-AWEZNQCLSA-N 0 3 350.463 1.084 20 10 FDCDHN CCN1CCN(c2ccc(CN[C@@H](C)CS(=O)(=O)CC)cc2F)CC1 ZINC000182885319 672219944 /nfs/dbraw/zinc/21/99/44/672219944.db2.gz HEMDLRKOJCKCRB-HNNXBMFYSA-N 0 3 371.522 1.880 20 10 FDCDHN CN(CC1CC[NH+](C)CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000264085640 672900770 /nfs/dbraw/zinc/90/07/70/672900770.db2.gz DXSGVOIPPNMWJY-UHFFFAOYSA-N 0 3 355.460 1.178 20 10 FDCDHN CC(C)C[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000370067127 677541403 /nfs/dbraw/zinc/54/14/03/677541403.db2.gz WYDADZNCVAAQBM-UHFFFAOYSA-N 0 3 369.487 1.568 20 10 FDCDHN CC(C)C[N@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000370067127 677541404 /nfs/dbraw/zinc/54/14/04/677541404.db2.gz WYDADZNCVAAQBM-UHFFFAOYSA-N 0 3 369.487 1.568 20 10 FDCDHN Cc1cnc2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)nn2c1 ZINC000891245365 774075379 /nfs/dbraw/zinc/07/53/79/774075379.db2.gz CYWBHAUMWGXGMZ-MRXNPFEDSA-N 0 3 367.457 1.531 20 10 FDCDHN COCCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000891247420 774094294 /nfs/dbraw/zinc/09/42/94/774094294.db2.gz HDEDOWXWVZBCIW-LJQANCHMSA-N 0 3 373.501 1.937 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891247613 774094847 /nfs/dbraw/zinc/09/48/47/774094847.db2.gz IISVHFZSGCUAGI-HNNXBMFYSA-N 0 3 360.414 1.560 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)N2CCOCC2)N(C)C)cc1 ZINC000891248314 774096159 /nfs/dbraw/zinc/09/61/59/774096159.db2.gz KMOFOESPKKOTCE-GOSISDBHSA-N 0 3 362.518 1.582 20 10 FDCDHN COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000891248464 774097499 /nfs/dbraw/zinc/09/74/99/774097499.db2.gz MYFZZLURIFKMJL-SFHVURJKSA-N 0 3 372.469 1.910 20 10 FDCDHN COC(=O)c1cnn(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891248261 774102544 /nfs/dbraw/zinc/10/25/44/774102544.db2.gz XHGYXSHLAORWMT-QGZVFWFLSA-N 0 3 373.457 1.155 20 10 FDCDHN CNC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891252354 774141711 /nfs/dbraw/zinc/14/17/11/774141711.db2.gz JUBGJPPPUUFJEB-GOSISDBHSA-N 0 3 369.469 1.540 20 10 FDCDHN Cc1nc(C)c(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(=O)[n-]1 ZINC000891255006 774152151 /nfs/dbraw/zinc/15/21/51/774152151.db2.gz MPKARBLMGLZLTM-GOSISDBHSA-N 0 3 371.485 1.827 20 10 FDCDHN C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255754 774170855 /nfs/dbraw/zinc/17/08/55/774170855.db2.gz RSIKCRSYAQLIDR-RDTXWAMCSA-N 0 3 372.469 1.883 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCn2cncn2)N(C)C)cc1 ZINC000891781721 779380122 /nfs/dbraw/zinc/38/01/22/779380122.db2.gz IXVJWYMNPYQOGF-QGZVFWFLSA-N 0 3 359.478 1.336 20 10 FDCDHN CCn1cc(CNCCCN2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000892462366 784555941 /nfs/dbraw/zinc/55/59/41/784555941.db2.gz OWOMYJDXCAFUKP-UHFFFAOYSA-N 0 3 358.490 1.609 20 10 FDCDHN COc1ccc(N2CCC(N(C)CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000378372823 794030755 /nfs/dbraw/zinc/03/07/55/794030755.db2.gz AVLRQGRVHXJYGB-UHFFFAOYSA-N 0 3 360.502 1.370 20 10 FDCDHN CN(C)CCN1C[C@@H](C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1=O ZINC000378537750 794298370 /nfs/dbraw/zinc/29/83/70/794298370.db2.gz FIWNLIWFXINOET-SFHVURJKSA-N 0 3 370.497 1.388 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@](C)(O)CC3)CC2)cc1 ZINC000280287770 811764249 /nfs/dbraw/zinc/76/42/49/811764249.db2.gz ZJGINEPATPRXST-FQEVSTJZSA-N 0 3 361.486 1.581 20 10 FDCDHN COC(=O)c1cn(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)nn1 ZINC000273464531 814795137 /nfs/dbraw/zinc/79/51/37/814795137.db2.gz HAOROWLBLXAUOH-UHFFFAOYSA-N 0 3 360.370 1.336 20 10 FDCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ncn(C)n1 ZINC000894327887 816929992 /nfs/dbraw/zinc/92/99/92/816929992.db2.gz XEKYDAGZFLLEIB-BBRMVZONSA-N 0 3 359.478 1.544 20 10 FDCDHN COCCNC(=O)C1(NCc2cc(Br)cc(C)c2O)CC1 ZINC000839193573 819168111 /nfs/dbraw/zinc/16/81/11/819168111.db2.gz SOIPKFUSWIEKHK-UHFFFAOYSA-N 0 3 357.248 1.848 20 10 FDCDHN CO[C@@H]1COC[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895329162 822488436 /nfs/dbraw/zinc/48/84/36/822488436.db2.gz JKXZBOGVOCCCKS-YESZJQIVSA-N 0 3 350.463 1.068 20 10 FDCDHN COc1ccc(CN2CCc3c(CC(N)=O)cccc3C2)c(O)c1OC ZINC000895744625 822726289 /nfs/dbraw/zinc/72/62/89/822726289.db2.gz GEQHWEOGUPWTQE-UHFFFAOYSA-N 0 3 356.422 1.996 20 10 FDCDHN Cc1cc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000896653542 824771649 /nfs/dbraw/zinc/77/16/49/824771649.db2.gz DLWRHOZUINXUFT-LJQANCHMSA-N 0 3 372.517 1.939 20 10 FDCDHN COc1ccc(N2CCN(S(=O)(=O)CCCN(C)C)CC2)cc1F ZINC000866943296 832283021 /nfs/dbraw/zinc/28/30/21/832283021.db2.gz FTCMGIOQOJFQCP-UHFFFAOYSA-N 0 3 359.467 1.238 20 10 FDCDHN COc1nn(C)cc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898538843 844813989 /nfs/dbraw/zinc/81/39/89/844813989.db2.gz YWCHKZIEAZGTSY-QGZVFWFLSA-N 0 3 374.489 1.597 20 10 FDCDHN CO[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899095393 845756865 /nfs/dbraw/zinc/75/68/65/845756865.db2.gz JCVNZKXIBPGLIP-DLBZAZTESA-N 0 3 350.463 1.370 20 10 FDCDHN CSC[C@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101920 845774491 /nfs/dbraw/zinc/77/44/91/845774491.db2.gz NEJWTTPYOJFLHD-FUHWJXTLSA-N 0 3 368.547 1.769 20 10 FDCDHN C[C@H]1CC(=O)NCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102987 845775737 /nfs/dbraw/zinc/77/57/37/845775737.db2.gz UBVSTLDFRVCLEO-YOEHRIQHSA-N 0 3 361.490 1.275 20 10 FDCDHN Cc1nnc([C@H](C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000899104931 845778260 /nfs/dbraw/zinc/77/82/60/845778260.db2.gz SVJLSLAVKSUSDG-LRDDRELGSA-N 0 3 359.478 1.842 20 10 FDCDHN CC(C)[C@@H](CO)ONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099083 845793717 /nfs/dbraw/zinc/79/37/17/845793717.db2.gz VELQUTSMZMHLSC-IAGOWNOFSA-N 0 3 352.479 1.603 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCn3ncnc3C2)N(C)C)cc1 ZINC000899100915 845798900 /nfs/dbraw/zinc/79/89/00/845798900.db2.gz CTGCEMAQGCLGOT-INIZCTEOSA-N 0 3 357.462 1.172 20 10 FDCDHN CN(C)CCn1nccc1C(=O)NCc1cc(Br)ccc1O ZINC000908170293 855110036 /nfs/dbraw/zinc/11/00/36/855110036.db2.gz MXLBFGKKYYRZNI-UHFFFAOYSA-N 0 3 367.247 1.843 20 10 FDCDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc(O)cc1O ZINC000910950826 857922343 /nfs/dbraw/zinc/92/23/43/857922343.db2.gz JTYXTQODUCBYIB-UHFFFAOYSA-N 0 3 355.438 1.926 20 10 FDCDHN COc1ccc(N2CCC(NC(=O)NC[C@@]3(O)CCN(C)C3)CC2)cc1 ZINC000763034411 877602546 /nfs/dbraw/zinc/60/25/46/877602546.db2.gz GYNAWFIFEAQKNO-IBGZPJMESA-N 0 3 362.474 1.030 20 10 FDCDHN Cc1cc(O)c(CNCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1C ZINC000922765385 879218069 /nfs/dbraw/zinc/21/80/69/879218069.db2.gz ZUQKFZDBQROGSR-UHFFFAOYSA-N 0 3 369.465 1.873 20 10 FDCDHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000186701516 881104341 /nfs/dbraw/zinc/10/43/41/881104341.db2.gz FJUINPGIKQRIOZ-PXNSSMCTSA-N 0 3 361.486 1.876 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000920451866 886946714 /nfs/dbraw/zinc/94/67/14/886946714.db2.gz PTKSUWAIRBRNJK-CHWSQXEVSA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000920451866 886946716 /nfs/dbraw/zinc/94/67/16/886946716.db2.gz PTKSUWAIRBRNJK-CHWSQXEVSA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785426390 903982383 /nfs/dbraw/zinc/98/23/83/903982383.db2.gz XNROVWGNCBIILB-HOTGVXAUSA-N 0 3 360.502 1.748 20 10 FDCDHN CS(=O)(=O)N1CCOCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC001203552285 909422315 /nfs/dbraw/zinc/42/23/15/909422315.db2.gz HUJTVKQOAYWTTO-UHFFFAOYSA-N 0 3 354.472 1.266 20 10 FDCDHN CN1CCN(C)[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000732230719 919278334 /nfs/dbraw/zinc/27/83/34/919278334.db2.gz ORAZGWKWSYVCNE-KRWDZBQOSA-N 0 3 361.490 1.921 20 10 FDCDHN CN(C)CCN1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O ZINC000746118137 927623960 /nfs/dbraw/zinc/62/39/60/927623960.db2.gz RQRCWSOGWWLTFF-KRWDZBQOSA-N 0 3 372.513 1.654 20 10 FDCDHN C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769763209 929647431 /nfs/dbraw/zinc/64/74/31/929647431.db2.gz WOIXDRRDEXOAOP-CYBMUJFWSA-N 0 3 355.460 1.320 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000809867962 940913556 /nfs/dbraw/zinc/91/35/56/940913556.db2.gz XGOFHBLHTBETSO-GOSISDBHSA-N 0 3 374.529 1.948 20 10 FDCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000817834165 942996332 /nfs/dbraw/zinc/99/63/32/942996332.db2.gz YMXSWAJWJYIEMU-MAUKXSAKSA-N 0 3 360.502 1.871 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000817830923 943041388 /nfs/dbraw/zinc/04/13/88/943041388.db2.gz HMEFLPACNAVMTM-GOSISDBHSA-N 0 3 360.502 1.618 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000817861253 943050224 /nfs/dbraw/zinc/05/02/24/943050224.db2.gz GXNZYIQKKBIPOW-VQIMIIECSA-N 0 3 374.529 1.661 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3ccoc3C)CC2)cc1 ZINC000818970752 943386707 /nfs/dbraw/zinc/38/67/07/943386707.db2.gz PYBYYQKZDMNUHV-IBGZPJMESA-N 0 3 359.470 1.869 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnn3CCN(C)C)C2)cc1 ZINC000823589805 945841677 /nfs/dbraw/zinc/84/16/77/945841677.db2.gz MRFQQIKNBOGNMW-HNNXBMFYSA-N 0 3 372.473 1.854 20 10 FDCDHN CN(C)CCN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1=O ZINC000844888934 948471272 /nfs/dbraw/zinc/47/12/72/948471272.db2.gz ZWXHHTXWPNVUPS-UHFFFAOYSA-N 0 3 373.501 1.202 20 10 FDCDHN CN(C)CCN1CCN(C(=O)NCCCSc2nccs2)CC1=O ZINC000845044310 948630893 /nfs/dbraw/zinc/63/08/93/948630893.db2.gz AYZLCQTXHMSWOF-UHFFFAOYSA-N 0 3 371.532 1.041 20 10 FDCDHN C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846183150 950661896 /nfs/dbraw/zinc/66/18/96/950661896.db2.gz FARRESJDUKZZCB-DZGCQCFKSA-N 0 3 371.478 1.347 20 10 FDCDHN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775253657 966988068 /nfs/dbraw/zinc/98/80/68/966988068.db2.gz AQCGHAGHFZUWKN-BRWVUGGUSA-N 0 3 361.486 1.810 20 10 FDCDHN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000852186513 967069923 /nfs/dbraw/zinc/06/99/23/967069923.db2.gz GGVGBEHTQRQBHX-MRXNPFEDSA-N 0 3 358.486 1.684 20 10 FDCDHN CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000775370892 967696505 /nfs/dbraw/zinc/69/65/05/967696505.db2.gz XFZYBWOMVBVHDM-XWCIJXRUSA-N 0 3 352.431 1.755 20 10 FDCDHN C[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000854231817 968701947 /nfs/dbraw/zinc/70/19/47/968701947.db2.gz NGHIPXCNGNGMIU-LBPRGKRZSA-N 0 3 361.421 1.467 20 10 FDCDHN CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855161295 970188925 /nfs/dbraw/zinc/18/89/25/970188925.db2.gz NPHOSFHADAUJQA-LBPRGKRZSA-N 0 3 369.487 1.614 20 10 FDCDHN CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855161295 970188930 /nfs/dbraw/zinc/18/89/30/970188930.db2.gz NPHOSFHADAUJQA-LBPRGKRZSA-N 0 3 369.487 1.614 20 10 FDCDHN CCCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775643609 970747777 /nfs/dbraw/zinc/74/77/77/970747777.db2.gz SOMAGOYKZODNEX-LJQANCHMSA-N 0 3 365.543 1.838 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000863969055 973339590 /nfs/dbraw/zinc/33/95/90/973339590.db2.gz RFHUOULYLBPVKU-ROUUACIJSA-N 0 3 365.470 1.666 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CC1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000863969055 973339603 /nfs/dbraw/zinc/33/96/03/973339603.db2.gz RFHUOULYLBPVKU-ROUUACIJSA-N 0 3 365.470 1.666 20 10 FDCDHN CCOC(=O)C1(COC)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000794700491 973665906 /nfs/dbraw/zinc/66/59/06/973665906.db2.gz OQNSZLOEZLIIQU-MRXNPFEDSA-N 0 3 365.426 1.610 20 10 FDCDHN CCOC(=O)C1(COC)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000794700491 973665913 /nfs/dbraw/zinc/66/59/13/973665913.db2.gz OQNSZLOEZLIIQU-MRXNPFEDSA-N 0 3 365.426 1.610 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000867744194 976759860 /nfs/dbraw/zinc/75/98/60/976759860.db2.gz QUHJRSOILJHRHK-UHFFFAOYSA-N 0 3 360.502 1.654 20 10 FDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cnn4c3CCC4)cc2)C1 ZINC000850059730 978133729 /nfs/dbraw/zinc/13/37/29/978133729.db2.gz NTBUGTFNXMUNQW-INIZCTEOSA-N 0 3 353.470 1.821 20 10 FDCDHN C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(N2CCOCC2)cc1 ZINC000851655313 978985902 /nfs/dbraw/zinc/98/59/02/978985902.db2.gz OYNSHTUYLQFIDX-KBRIMQKVSA-N 0 3 350.438 1.665 20 10 FDCDHN CN1CCN(c2ccc(CNCc3cn(C[C@@H]4CCCO4)nn3)cc2)CC1 ZINC000883282890 982044032 /nfs/dbraw/zinc/04/40/32/982044032.db2.gz JTHHCKDDRABCBF-FQEVSTJZSA-N 0 3 370.501 1.499 20 10 FDCDHN CN(C)S(=O)(=O)C1(CNCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000886321911 986067053 /nfs/dbraw/zinc/06/70/53/986067053.db2.gz BSHGZFXNIPURHN-UHFFFAOYSA-N 0 3 371.478 1.176 20 10 FDCDHN C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1cc(F)ccc1[O-] ZINC000363854031 989451635 /nfs/dbraw/zinc/45/16/35/989451635.db2.gz LPQCWZFLCPQGSQ-RHSMWYFYSA-N 0 3 365.449 1.505 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000372557009 991211668 /nfs/dbraw/zinc/21/16/68/991211668.db2.gz LGHJCVYDCXMNDS-FQEVSTJZSA-N 0 3 358.486 1.313 20 10 FDCDHN COC[C@@]1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCCCN1 ZINC000876748519 992869600 /nfs/dbraw/zinc/86/96/00/992869600.db2.gz DORCOJFBBMEDCL-HXUWFJFHSA-N 0 3 361.486 1.939 20 10 FDCDHN COc1cc(Br)cc(CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000877719802 993473621 /nfs/dbraw/zinc/47/36/21/993473621.db2.gz GDVKIAZZULZRNF-PHIMTYICSA-N 0 3 369.215 1.210 20 10 FDCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000924256062 994522031 /nfs/dbraw/zinc/52/20/31/994522031.db2.gz MVXNAEBYMGWXRR-IYBDPMFKSA-N 0 3 372.513 1.877 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN(C)Cc3c[nH]nc3C)CC2)cc1 ZINC000879188454 994611504 /nfs/dbraw/zinc/61/15/04/994611504.db2.gz MCACSLSOGHSYGW-LJQANCHMSA-N 0 3 373.501 1.342 20 10 FDCDHN COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](CN4CCCCC4)C3=O)C2)cc1 ZINC000924980377 995208059 /nfs/dbraw/zinc/20/80/59/995208059.db2.gz VLGVTQISPBJWMS-WMZOPIPTSA-N 0 3 372.469 1.680 20 10 FDCDHN CN(Cc1ccccc1)C(=O)CNC(=O)CN[C@H]1CCc2cccc(O)c21 ZINC000926967413 996379916 /nfs/dbraw/zinc/37/99/16/996379916.db2.gz TWBYIEKPVWVIGL-KRWDZBQOSA-N 0 3 367.449 1.744 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000289828320 1000120915 /nfs/dbraw/zinc/12/09/15/1000120915.db2.gz UEIMCAFIRAHJNK-MRXNPFEDSA-N 0 3 372.513 1.868 20 10 FDCDHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706514 1001632569 /nfs/dbraw/zinc/63/25/69/1001632569.db2.gz VLNXXOUSEQLULD-KGLIPLIRSA-N 0 3 363.433 1.480 20 10 FDCDHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706514 1001632575 /nfs/dbraw/zinc/63/25/75/1001632575.db2.gz VLNXXOUSEQLULD-KGLIPLIRSA-N 0 3 363.433 1.480 20 10 FDCDHN COc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000932429353 1004952862 /nfs/dbraw/zinc/95/28/62/1004952862.db2.gz QUCYAESMSOFFRS-OAHLLOKOSA-N 0 3 360.462 1.919 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000778141848 1005226942 /nfs/dbraw/zinc/22/69/42/1005226942.db2.gz MRMKYWPONVTXOJ-MAUKXSAKSA-N 0 3 359.474 1.252 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000271278185 674331018 /nfs/dbraw/zinc/33/10/18/674331018.db2.gz NPNWLPFLIFFGOZ-AWEZNQCLSA-N 0 3 367.471 1.464 20 10 FDCDHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000271356659 674336235 /nfs/dbraw/zinc/33/62/35/674336235.db2.gz IFYHXBPMTMBBOX-DOMZBBRYSA-N 0 3 369.487 1.566 20 10 FDCDHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000271356659 674336237 /nfs/dbraw/zinc/33/62/37/674336237.db2.gz IFYHXBPMTMBBOX-DOMZBBRYSA-N 0 3 369.487 1.566 20 10 FDCDHN C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000063665404 522621555 /nfs/dbraw/zinc/62/15/55/522621555.db2.gz VNKLCGCJIMMUAQ-CYBMUJFWSA-N 0 3 369.487 1.758 20 10 FDCDHN C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000063665404 522621569 /nfs/dbraw/zinc/62/15/69/522621569.db2.gz VNKLCGCJIMMUAQ-CYBMUJFWSA-N 0 3 369.487 1.758 20 10 FDCDHN CC1CC[NH+](CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000055135329 523754232 /nfs/dbraw/zinc/75/42/32/523754232.db2.gz ZFAHBPXFYMLAON-UHFFFAOYSA-N 0 3 369.487 1.616 20 10 FDCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000122312236 524505890 /nfs/dbraw/zinc/50/58/90/524505890.db2.gz AWVUJPHFOLFIDE-DOTOQJQBSA-N 0 3 358.486 1.948 20 10 FDCDHN CC(C)[C@@H](CCO)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000162087270 525211512 /nfs/dbraw/zinc/21/15/12/525211512.db2.gz PXZUCYDBOANAGX-QGZVFWFLSA-N 0 3 367.465 1.275 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000153693847 525288654 /nfs/dbraw/zinc/28/86/54/525288654.db2.gz NHZDUJHFIUQCHE-HXUWFJFHSA-N 0 3 359.470 1.456 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H](CCO)C(C)(C)C)CC2)cc1 ZINC000181477698 525860223 /nfs/dbraw/zinc/86/02/23/525860223.db2.gz XIRXSPCOGSOPCU-SFHVURJKSA-N 0 3 363.502 1.731 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000190837158 537188434 /nfs/dbraw/zinc/18/84/34/537188434.db2.gz XXHGHALCQJFOAF-MRXNPFEDSA-N 0 3 356.488 1.573 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C1CC1)C(C)(C)CO)cc2=O ZINC000292966140 537262698 /nfs/dbraw/zinc/26/26/98/537262698.db2.gz GDMPGOMYZJXLFH-HNNXBMFYSA-N 0 3 362.430 1.498 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CCO)C(C)(C)C)cc2=O ZINC000272333723 537265453 /nfs/dbraw/zinc/26/54/53/537265453.db2.gz NQGWLVQVMOKZON-ZDUSSCGKSA-N 0 3 350.419 1.498 20 10 FDCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000360016593 537575564 /nfs/dbraw/zinc/57/55/64/537575564.db2.gz AWFNOEMWXPZFGC-KUHUBIRLSA-N 0 3 361.442 1.991 20 10 FDCDHN O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000285571621 537731639 /nfs/dbraw/zinc/73/16/39/537731639.db2.gz UGEOGEWGFPHMRW-GFCCVEGCSA-N 0 3 354.428 1.167 20 10 FDCDHN O=S(=O)(C1CC1)N1CCC[C@@H](NCc2cc3c(cc2O)OCO3)C1 ZINC000285571621 537731641 /nfs/dbraw/zinc/73/16/41/537731641.db2.gz UGEOGEWGFPHMRW-GFCCVEGCSA-N 0 3 354.428 1.167 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000121042954 671699034 /nfs/dbraw/zinc/69/90/34/671699034.db2.gz DXBZLDUYBLJQSJ-MSOLQXFVSA-N 0 3 350.459 1.066 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000121042954 671699037 /nfs/dbraw/zinc/69/90/37/671699037.db2.gz DXBZLDUYBLJQSJ-MSOLQXFVSA-N 0 3 350.459 1.066 20 10 FDCDHN COc1c([O-])c(C[N@H+](C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000289422009 676133169 /nfs/dbraw/zinc/13/31/69/676133169.db2.gz JGZSNARBEALQRG-UHFFFAOYSA-N 0 3 352.435 1.378 20 10 FDCDHN COc1c([O-])c(C[N@@H+](C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000289422009 676133171 /nfs/dbraw/zinc/13/31/71/676133171.db2.gz JGZSNARBEALQRG-UHFFFAOYSA-N 0 3 352.435 1.378 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000367909066 677496629 /nfs/dbraw/zinc/49/66/29/677496629.db2.gz WWCCGJXMOMIKAN-SWLSCSKDSA-N 0 3 367.471 1.368 20 10 FDCDHN O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cc(Cl)ccc3[O-])CC2)C1 ZINC000372811379 677978261 /nfs/dbraw/zinc/97/82/61/677978261.db2.gz FBWIGMDZPMRRRD-HNNXBMFYSA-N 0 3 358.891 1.787 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000175774005 771288490 /nfs/dbraw/zinc/28/84/90/771288490.db2.gz HCBNMLXHUTVESR-HUUCEWRRSA-N 0 3 364.490 1.645 20 10 FDCDHN CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246674 774089706 /nfs/dbraw/zinc/08/97/06/774089706.db2.gz DUARUHOHEQSWDX-NZSAHSFTSA-N 0 3 363.502 1.913 20 10 FDCDHN COC(=O)c1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891247140 774092344 /nfs/dbraw/zinc/09/23/44/774092344.db2.gz FTFMRHUFSHAQJB-KRWDZBQOSA-N 0 3 371.441 1.362 20 10 FDCDHN CCO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCOC1 ZINC000891247284 774093003 /nfs/dbraw/zinc/09/30/03/774093003.db2.gz SOTGCNQMVBEPHU-UHOSZYNNSA-N 0 3 363.502 1.913 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3nncn3CC2)N(C)C)cc1 ZINC000891247228 774093021 /nfs/dbraw/zinc/09/30/21/774093021.db2.gz RTKAUQQVFAVFDA-WMZOPIPTSA-N 0 3 370.501 1.716 20 10 FDCDHN Cc1ccn(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(=O)c1 ZINC000891249394 774107450 /nfs/dbraw/zinc/10/74/50/774107450.db2.gz SIZWVVQSGSQDMG-GOSISDBHSA-N 0 3 356.470 1.642 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)N(C)C)cc1 ZINC000891251519 774133877 /nfs/dbraw/zinc/13/38/77/774133877.db2.gz FURXYAJFOAFEHN-BEFAXECRSA-N 0 3 355.486 2.000 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)CCc3nnc[nH]3)CC2)cc1 ZINC000177118730 784954618 /nfs/dbraw/zinc/95/46/18/784954618.db2.gz WEWNQTVKVCANDI-UHFFFAOYSA-N 0 3 372.473 1.074 20 10 FDCDHN Cc1c(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cnn1C ZINC000893866162 809776421 /nfs/dbraw/zinc/77/64/21/809776421.db2.gz DRLUMPFVMTZQLK-SFHVURJKSA-N 0 3 358.490 1.897 20 10 FDCDHN COC[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC000894102671 810001987 /nfs/dbraw/zinc/00/19/87/810001987.db2.gz PJNPHHIQDWEUFL-SJORKVTESA-N 0 3 352.479 1.316 20 10 FDCDHN COc1cc(C)cc(CNCCS(=O)(=O)NCc2ccccc2)c1O ZINC000894206276 810984400 /nfs/dbraw/zinc/98/44/00/810984400.db2.gz GIQWMXICLXHOSM-UHFFFAOYSA-N 0 3 364.467 1.918 20 10 FDCDHN CCOC(=O)Cn1cc(C[NH2+]Cc2ccccc2[O-])c(-c2cnn(C)c2)n1 ZINC000894212469 811222514 /nfs/dbraw/zinc/22/25/14/811222514.db2.gz BDMLXJHKDYGJNF-UHFFFAOYSA-N 0 3 369.425 1.842 20 10 FDCDHN COc1cc(O)c(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1OC ZINC000271780221 814477519 /nfs/dbraw/zinc/47/75/19/814477519.db2.gz HNTGNDQAKCHALR-OAHLLOKOSA-N 0 3 363.458 1.148 20 10 FDCDHN COC(=O)c1c(CN[C@H](C)[C@@H]2CN(C)CCO2)c2cc(F)ccc2n1C ZINC000894346721 817430229 /nfs/dbraw/zinc/43/02/29/817430229.db2.gz WVAPSYIAWULSQB-PXAZEXFGSA-N 0 3 363.433 1.913 20 10 FDCDHN CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894383907 817997050 /nfs/dbraw/zinc/99/70/50/817997050.db2.gz XWAVLPUWWGTBDT-PBHICJAKSA-N 0 3 363.506 1.521 20 10 FDCDHN CNS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3O)CC2)cc1 ZINC000895561268 822652201 /nfs/dbraw/zinc/65/22/01/822652201.db2.gz QOPBJELXAWVZOT-UHFFFAOYSA-N 0 3 361.467 1.623 20 10 FDCDHN COC(=O)[C@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895899080 823733688 /nfs/dbraw/zinc/73/36/88/823733688.db2.gz DNKNZGSDHWFNLH-ZOBUZTSGSA-N 0 3 362.474 1.606 20 10 FDCDHN COC(=O)/C(C)=C\CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896605492 824713435 /nfs/dbraw/zinc/71/34/35/824713435.db2.gz WIHSNRCSSIUQKL-IFCKCIONSA-N 0 3 362.474 1.774 20 10 FDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H](C)CN1 ZINC000841722366 835229758 /nfs/dbraw/zinc/22/97/58/835229758.db2.gz MXHWMGBVIZGFRO-VYDXJSESSA-N 0 3 373.501 1.280 20 10 FDCDHN CC(C)NC(=O)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098004 845760139 /nfs/dbraw/zinc/76/01/39/845760139.db2.gz KDUUGZRWLGMBKD-YOEHRIQHSA-N 0 3 363.506 1.568 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000899097896 845772570 /nfs/dbraw/zinc/77/25/70/845772570.db2.gz IOBVZLUEHQLWCZ-QGZVFWFLSA-N 0 3 359.474 1.329 20 10 FDCDHN C[C@H]1C(=O)N(C)CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105688 845780138 /nfs/dbraw/zinc/78/01/38/845780138.db2.gz YPHOSYAEYNYZLO-WMLDXEAASA-N 0 3 361.490 1.227 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2Cc3cncn3C2)N(C)C)cc1 ZINC000899099153 845793845 /nfs/dbraw/zinc/79/38/45/845793845.db2.gz WELLVSNOXXWDMY-QAPCUYQASA-N 0 3 356.474 1.476 20 10 FDCDHN CNC(=O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099363 845794715 /nfs/dbraw/zinc/79/47/15/845794715.db2.gz ZRIFPNDEZVDXBP-DOTOQJQBSA-N 0 3 361.490 1.133 20 10 FDCDHN Cn1ncc2c1ncnc2N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000055356737 862502581 /nfs/dbraw/zinc/50/25/81/862502581.db2.gz RYGJWNMCCBIESV-UHFFFAOYSA-N 0 3 364.453 1.880 20 10 FDCDHN CN(C)c1ccc([C@@H](CNS(=O)(=O)CC2(N(C)C)CC2)N(C)C)cc1 ZINC000908460729 855446793 /nfs/dbraw/zinc/44/67/93/855446793.db2.gz YLOPYZIHAPAMCG-QGZVFWFLSA-N 0 3 368.547 1.369 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000921528520 907598669 /nfs/dbraw/zinc/59/86/69/907598669.db2.gz ABWMCSKTBDRRAR-WBVHZDCISA-N 0 3 351.422 1.708 20 10 FDCDHN N[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCOCC1 ZINC000282588382 922182654 /nfs/dbraw/zinc/18/26/54/922182654.db2.gz IJPNKEGVTPQRFZ-IBGZPJMESA-N 0 3 361.486 1.265 20 10 FDCDHN CCN1C[C@H](C)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766254886 925399120 /nfs/dbraw/zinc/39/91/20/925399120.db2.gz UAUSLHAHVIHCOJ-MSOLQXFVSA-N 0 3 374.529 1.758 20 10 FDCDHN C[NH+](C)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000769843012 929720942 /nfs/dbraw/zinc/72/09/42/929720942.db2.gz WNQLIQRKJHRXAY-UHFFFAOYSA-N 0 3 369.487 1.710 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000788952379 932887111 /nfs/dbraw/zinc/88/71/11/932887111.db2.gz XOOYZMZLWGEYTQ-SFHVURJKSA-N 0 3 360.502 1.750 20 10 FDCDHN COc1cccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)c1O ZINC000790027570 933326707 /nfs/dbraw/zinc/32/67/07/933326707.db2.gz WDGFZXHDSMZQOY-UHFFFAOYSA-N 0 3 350.440 1.941 20 10 FDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804732732 938557960 /nfs/dbraw/zinc/55/79/60/938557960.db2.gz YBZCUNLCBSXMIH-QGZVFWFLSA-N 0 3 359.470 1.731 20 10 FDCDHN CC(=O)NCC[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000805821990 938832583 /nfs/dbraw/zinc/83/25/83/938832583.db2.gz HLTRDABEMJNFHU-GOSISDBHSA-N 0 3 374.529 1.949 20 10 FDCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807095798 940247536 /nfs/dbraw/zinc/24/75/36/940247536.db2.gz RCXWTXRHIIFLGW-MJGOQNOKSA-N 0 3 372.513 1.762 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000817807064 942961426 /nfs/dbraw/zinc/96/14/26/942961426.db2.gz MZQKZLXPZHRNMG-OAHLLOKOSA-N 0 3 360.502 1.319 20 10 FDCDHN C[C@@H]1CN(CCCN2C(=O)CN(Cc3ccccc3O)C2=O)CCCO1 ZINC000819168341 943458454 /nfs/dbraw/zinc/45/84/54/943458454.db2.gz OASJHHXCMVSRSD-OAHLLOKOSA-N 0 3 361.442 1.657 20 10 FDCDHN O=C(c1cccc(O)c1[O-])N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001148213460 952647500 /nfs/dbraw/zinc/64/75/00/952647500.db2.gz BMKRVFDDUVNMHB-CWTRNNRKSA-N 0 3 373.384 1.800 20 10 FDCDHN C[C@@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775259418 967024200 /nfs/dbraw/zinc/02/42/00/967024200.db2.gz SHGQVJSYDHKIMF-CQSZACIVSA-N 0 3 362.474 1.798 20 10 FDCDHN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775369951 967714922 /nfs/dbraw/zinc/71/49/22/967714922.db2.gz JGNVCPWQRZVTNR-IUODEOHRSA-N 0 3 352.431 1.755 20 10 FDCDHN CC(C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632181 969036804 /nfs/dbraw/zinc/03/68/04/969036804.db2.gz FWQVMXJYWFNWIZ-HIFRSBDPSA-N 0 3 363.458 1.405 20 10 FDCDHN Nc1ccccc1S(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC001193955361 969932748 /nfs/dbraw/zinc/93/27/48/969932748.db2.gz DMZXXVXSIMPYHY-UHFFFAOYSA-N 0 3 361.467 1.917 20 10 FDCDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855163935 970190599 /nfs/dbraw/zinc/19/05/99/970190599.db2.gz GKUFRAQKDSRTCK-GFCCVEGCSA-N 0 3 355.460 1.366 20 10 FDCDHN O=C1COC[C@@]2(C[NH2+]Cc3cc(-c4ccccc4)ccc3[O-])COCCN12 ZINC000865797661 974500112 /nfs/dbraw/zinc/50/01/12/974500112.db2.gz KJRQKYPHCAGUNI-OAQYLSRUSA-N 0 3 368.433 1.777 20 10 FDCDHN COc1ccc(N2CC[C@@H](CNS(=O)(=O)CCCN(C)C)C2)cc1 ZINC000867428313 975238124 /nfs/dbraw/zinc/23/81/24/975238124.db2.gz JKVJHTKSEIVCEN-HNNXBMFYSA-N 0 3 355.504 1.393 20 10 FDCDHN COc1cccc(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1O ZINC000849563234 977754842 /nfs/dbraw/zinc/75/48/42/977754842.db2.gz JEHYWNJIAPVJNB-CVEARBPZSA-N 0 3 358.442 1.486 20 10 FDCDHN N[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[C@H]1F ZINC000851654512 978985490 /nfs/dbraw/zinc/98/54/90/978985490.db2.gz DIUDLBBNUZSGOQ-GDBMZVCRSA-N 0 3 368.428 1.368 20 10 FDCDHN C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(N2CCOCC2)cc1 ZINC000851655312 978985788 /nfs/dbraw/zinc/98/57/88/978985788.db2.gz OYNSHTUYLQFIDX-IAOVAPTHSA-N 0 3 350.438 1.665 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000851683043 978995911 /nfs/dbraw/zinc/99/59/11/978995911.db2.gz XTFHZCCGRPCSDM-UHFFFAOYSA-N 0 3 358.446 1.439 20 10 FDCDHN C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N1CCSCC1 ZINC000881852203 980215281 /nfs/dbraw/zinc/21/52/81/980215281.db2.gz IMXIYQZQKZUEAL-MRXNPFEDSA-N 0 3 362.543 1.492 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000115654847 981707748 /nfs/dbraw/zinc/70/77/48/981707748.db2.gz JXQRAGQJRWCMHI-UHFFFAOYSA-N 0 3 361.534 1.888 20 10 FDCDHN O=S1(=O)CCC[C@@H]1CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000883299451 982055420 /nfs/dbraw/zinc/05/54/20/982055420.db2.gz VAWKZDNGRGDOHO-OAHLLOKOSA-N 0 3 356.463 1.719 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000858606211 982143562 /nfs/dbraw/zinc/14/35/62/982143562.db2.gz MIGSAQHLNPWIER-JQWIXIFHSA-N 0 3 359.264 1.881 20 10 FDCDHN CCc1nnc(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)[nH]1 ZINC000883716022 982411935 /nfs/dbraw/zinc/41/19/35/982411935.db2.gz YOBYTEHYCPFXCQ-UHFFFAOYSA-N 0 3 357.462 1.118 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1F ZINC000862364894 984359751 /nfs/dbraw/zinc/35/97/51/984359751.db2.gz IVTWNBFOQSAXIP-SGTLLEGYSA-N 0 3 366.412 1.983 20 10 FDCDHN CN1CCN(c2ccnc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)CC1 ZINC000870667158 986213099 /nfs/dbraw/zinc/21/30/99/986213099.db2.gz UBEVSDULSCHYBC-HWKANZROSA-N 0 3 354.410 1.897 20 10 FDCDHN NC(=O)C1CCN(c2ccc(CN[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000886747426 986543055 /nfs/dbraw/zinc/54/30/55/986543055.db2.gz TUSUMTGYAGJXMC-MRXNPFEDSA-N 0 3 365.499 1.055 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([C@@H]4CCCO4)C3)CC2)cc1 ZINC000886835691 986629992 /nfs/dbraw/zinc/62/99/92/986629992.db2.gz PIBOGYIQFPALAE-XLIONFOSSA-N 0 3 373.497 1.845 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3ccnc(F)c3)CC2)cc1 ZINC000872223020 987525097 /nfs/dbraw/zinc/52/50/97/987525097.db2.gz LREUQBICWXFAGX-SFHVURJKSA-N 0 3 374.460 1.502 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369027591 989021451 /nfs/dbraw/zinc/02/14/51/989021451.db2.gz MYBOSTFIRQJYII-OALUTQOASA-N 0 3 358.486 1.949 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H]3C)CC2)c(OC)c1 ZINC000925342582 995514316 /nfs/dbraw/zinc/51/43/16/995514316.db2.gz BVPVTUDQJUWKIN-GDBMZVCRSA-N 0 3 362.474 1.628 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C)[C@H]3C)CC2)c(OC)c1 ZINC000925342583 995514798 /nfs/dbraw/zinc/51/47/98/995514798.db2.gz BVPVTUDQJUWKIN-GOEBONIOSA-N 0 3 362.474 1.628 20 10 FDCDHN CC(C)N1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000889674541 998522715 /nfs/dbraw/zinc/52/27/15/998522715.db2.gz ODSFYSPHMCMZAD-UHFFFAOYSA-N 0 3 359.518 1.674 20 10 FDCDHN CC1CCN(CCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000283660357 999760059 /nfs/dbraw/zinc/76/00/59/999760059.db2.gz BTJSNXVUBIHJFR-UHFFFAOYSA-N 0 3 360.502 1.559 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H](CO)CN1CCCCC1 ZINC000288145930 999990793 /nfs/dbraw/zinc/99/07/93/999990793.db2.gz BSBSFTOBUHPONC-AIADIJKESA-N 0 3 373.497 1.499 20 10 FDCDHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706515 1001632142 /nfs/dbraw/zinc/63/21/42/1001632142.db2.gz VLNXXOUSEQLULD-UONOGXRCSA-N 0 3 363.433 1.480 20 10 FDCDHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706515 1001632146 /nfs/dbraw/zinc/63/21/46/1001632146.db2.gz VLNXXOUSEQLULD-UONOGXRCSA-N 0 3 363.433 1.480 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C[C@]1(O)CCOC1)C[C@H]1CCCO1 ZINC000929971230 1002677326 /nfs/dbraw/zinc/67/73/26/1002677326.db2.gz NWBMYVFSUPKDCP-ZHALLVOQSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)C[C@H]1CCCO1 ZINC000929971230 1002677334 /nfs/dbraw/zinc/67/73/34/1002677334.db2.gz NWBMYVFSUPKDCP-ZHALLVOQSA-N 0 3 351.443 1.276 20 10 FDCDHN CCn1[nH]c(C)nc1=NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931758942 1004475995 /nfs/dbraw/zinc/47/59/95/1004475995.db2.gz LPMZCXXTLHHBMA-MRXNPFEDSA-N 0 3 359.478 1.519 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)CCCF)N(C)C)cc1 ZINC000934319508 1005732223 /nfs/dbraw/zinc/73/22/23/1005732223.db2.gz FLLJEMPMECIGOQ-MRXNPFEDSA-N 0 3 352.454 1.290 20 10 FDCDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000111373209 524276896 /nfs/dbraw/zinc/27/68/96/524276896.db2.gz WEAIEZWWDIOSPT-DNVCBOLYSA-N 0 3 369.469 1.713 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCc1nccs1)cc2=O ZINC000157495239 524285693 /nfs/dbraw/zinc/28/56/93/524285693.db2.gz FRQHWFHOXLEXDM-UHFFFAOYSA-N 0 3 361.427 1.743 20 10 FDCDHN CCOc1ccc(O)c(CN2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000129323086 525644021 /nfs/dbraw/zinc/64/40/21/525644021.db2.gz JVGHRYVOCJSLNJ-UHFFFAOYSA-N 0 3 361.486 1.921 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1C1CCOCC1 ZINC000154873596 525667569 /nfs/dbraw/zinc/66/75/69/525667569.db2.gz XXGMMYRSOBPPQF-FQEVSTJZSA-N 0 3 373.497 1.783 20 10 FDCDHN C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180207946 525675168 /nfs/dbraw/zinc/67/51/68/525675168.db2.gz WHESMXAPDTYMEH-CYBMUJFWSA-N 0 3 361.421 1.466 20 10 FDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000119690141 525830802 /nfs/dbraw/zinc/83/08/02/525830802.db2.gz QOWRAKSXVPYJHV-GFCCVEGCSA-N 0 3 350.440 1.942 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](CC(N)=O)C2CCCCC2)cc1 ZINC000182051460 526036692 /nfs/dbraw/zinc/03/66/92/526036692.db2.gz ZPWMBJOWXKGNRI-SFHVURJKSA-N 0 3 360.502 1.783 20 10 FDCDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906708 537016835 /nfs/dbraw/zinc/01/68/35/537016835.db2.gz MAZLBVWPWNOTSW-WBVHZDCISA-N 0 3 350.482 1.559 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@]1(C)CCO[C@@H]1C1CC1)cc2=O ZINC000273020346 537378662 /nfs/dbraw/zinc/37/86/62/537378662.db2.gz DLRAAVJFCJPJMX-CRAIPNDOSA-N 0 3 360.414 1.659 20 10 FDCDHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288461914 537505190 /nfs/dbraw/zinc/50/51/90/537505190.db2.gz GQMXZUWQXFQXJP-UHFFFAOYSA-N 0 3 356.470 1.232 20 10 FDCDHN COc1cc(O)c(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1OC ZINC000289860293 537606368 /nfs/dbraw/zinc/60/63/68/537606368.db2.gz QNFBVPTZHOPFPM-CYBMUJFWSA-N 0 3 370.471 1.456 20 10 FDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1OC ZINC000289860293 537606373 /nfs/dbraw/zinc/60/63/73/537606373.db2.gz QNFBVPTZHOPFPM-CYBMUJFWSA-N 0 3 370.471 1.456 20 10 FDCDHN COc1c([O-])c(C[N@@H+]2CCC[C@H]2CN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000373200900 538092850 /nfs/dbraw/zinc/09/28/50/538092850.db2.gz AOZPUHHFFIABMF-LSDHHAIUSA-N 0 3 365.430 1.730 20 10 FDCDHN COc1c([O-])c(C[N@H+]2CCC[C@H]2CN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000373200900 538092853 /nfs/dbraw/zinc/09/28/53/538092853.db2.gz AOZPUHHFFIABMF-LSDHHAIUSA-N 0 3 365.430 1.730 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000561999586 546006540 /nfs/dbraw/zinc/00/65/40/546006540.db2.gz PDLTXOCRWXWHBL-ZFWWWQNUSA-N 0 3 356.470 1.702 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000572793887 549996228 /nfs/dbraw/zinc/99/62/28/549996228.db2.gz XKDCMIMFXJDIQD-WMLDXEAASA-N 0 3 370.497 1.948 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000583954365 551426089 /nfs/dbraw/zinc/42/60/89/551426089.db2.gz BVZNNVXYPQGZOK-MRXNPFEDSA-N 0 3 368.481 1.800 20 10 FDCDHN CN(Cc1cc2c(cc1O)OCO2)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295197795 676402306 /nfs/dbraw/zinc/40/23/06/676402306.db2.gz YFXCAYKLUOWJQS-GFCCVEGCSA-N 0 3 354.403 1.438 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(OC)c(OC)cc1O ZINC000364287561 677005074 /nfs/dbraw/zinc/00/50/74/677005074.db2.gz FAEYIBHJFSZUEN-UONOGXRCSA-N 0 3 353.415 1.952 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000367909065 677496659 /nfs/dbraw/zinc/49/66/59/677496659.db2.gz WWCCGJXMOMIKAN-IUODEOHRSA-N 0 3 367.471 1.368 20 10 FDCDHN CN(C)S(=O)(=O)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000367975580 677497301 /nfs/dbraw/zinc/49/73/01/677497301.db2.gz YSWGMZCJKFNKOB-UHFFFAOYSA-N 0 3 363.483 1.860 20 10 FDCDHN CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000367975580 677497304 /nfs/dbraw/zinc/49/73/04/677497304.db2.gz YSWGMZCJKFNKOB-UHFFFAOYSA-N 0 3 363.483 1.860 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)N(C)C)cc1 ZINC000891245504 774085289 /nfs/dbraw/zinc/08/52/89/774085289.db2.gz FKHJDMOCTHUIBR-KZNAEPCWSA-N 0 3 372.473 1.073 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C(N)=O)nc2)N(C)C)cc1 ZINC000891247322 774092986 /nfs/dbraw/zinc/09/29/86/774092986.db2.gz UENCHIUWEXRQAV-GOSISDBHSA-N 0 3 369.469 1.208 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000891248473 774097375 /nfs/dbraw/zinc/09/73/75/774097375.db2.gz MGUVFMBCACIKSX-CQSZACIVSA-N 0 3 360.418 1.427 20 10 FDCDHN COCCn1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891249614 774110171 /nfs/dbraw/zinc/11/01/71/774110171.db2.gz UZVHFQRBEBDVFX-SFHVURJKSA-N 0 3 359.474 1.628 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn3ncccc23)N(C)C)cc1 ZINC000891248698 774111192 /nfs/dbraw/zinc/11/11/92/774111192.db2.gz NBIINHMHUKGEQV-SFHVURJKSA-N 0 3 352.442 1.828 20 10 FDCDHN CC(=O)N1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891251681 774135616 /nfs/dbraw/zinc/13/56/16/774135616.db2.gz DUMYZAKEIUVQSC-IBGZPJMESA-N 0 3 360.502 1.730 20 10 FDCDHN Cc1nnc2n1C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC000891253158 774139996 /nfs/dbraw/zinc/13/99/96/774139996.db2.gz RDJZQMMNGSOMEP-WMZOPIPTSA-N 0 3 370.501 1.634 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2nnc3n2CCC3)N(C)C)cc1 ZINC000891702891 779119992 /nfs/dbraw/zinc/11/99/92/779119992.db2.gz NTKFJHGSAGCVNV-MRXNPFEDSA-N 0 3 371.489 1.392 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](OC)CC3)CC2)cc1 ZINC000376070220 785757410 /nfs/dbraw/zinc/75/74/10/785757410.db2.gz SVVYUUKRGLJRDP-GOSISDBHSA-N 0 3 361.486 1.845 20 10 FDCDHN Cc1nccn1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892572858 787373487 /nfs/dbraw/zinc/37/34/87/787373487.db2.gz LLXQCHMHNOLPSJ-GOSISDBHSA-N 0 3 358.490 1.860 20 10 FDCDHN Cc1noc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000892629629 787849410 /nfs/dbraw/zinc/84/94/10/787849410.db2.gz CYNRGAUXPYWFAR-INIZCTEOSA-N 0 3 360.462 1.589 20 10 FDCDHN COc1ccc(CN[C@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1OC ZINC000893081716 792794105 /nfs/dbraw/zinc/79/41/05/792794105.db2.gz LMMXZTNMSRUAFI-ZDUSSCGKSA-N 0 3 360.414 1.428 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893134285 793241573 /nfs/dbraw/zinc/24/15/73/793241573.db2.gz HKAMDPZLMJKSAF-VQTJNVASSA-N 0 3 370.497 1.803 20 10 FDCDHN O=C(CNC[C@@H]1CCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000238171275 809560040 /nfs/dbraw/zinc/56/00/40/809560040.db2.gz NCQQXUVQOVUDJI-IBGZPJMESA-N 0 3 361.486 1.280 20 10 FDCDHN CCN1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O ZINC000895186934 821582417 /nfs/dbraw/zinc/58/24/17/821582417.db2.gz ZIEWHUQNBBDYEG-NVXWUHKLSA-N 0 3 361.490 1.275 20 10 FDCDHN CCn1nc(C)c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000895435438 822595863 /nfs/dbraw/zinc/59/58/63/822595863.db2.gz JGSJTVGQGLDNMJ-GOSISDBHSA-N 0 3 373.505 1.775 20 10 FDCDHN Cc1ccnc(N)c1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813276 822756506 /nfs/dbraw/zinc/75/65/06/822756506.db2.gz BMOXJWORHYVTQG-UHFFFAOYSA-N 0 3 353.470 1.964 20 10 FDCDHN COC(=O)/C(C)=C\CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896605493 824713308 /nfs/dbraw/zinc/71/33/08/824713308.db2.gz WIHSNRCSSIUQKL-VWILAXROSA-N 0 3 362.474 1.774 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC2(O)CCOCC2)N(C)C)cc1 ZINC000899102114 845774411 /nfs/dbraw/zinc/77/44/11/845774411.db2.gz KFOUUFPNQGMGIG-KRWDZBQOSA-N 0 3 364.490 1.196 20 10 FDCDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H](CO)O1 ZINC000899103366 845776609 /nfs/dbraw/zinc/77/66/09/845776609.db2.gz KUJGFJNLVTYGSE-OLMNPRSZSA-N 0 3 364.490 1.147 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CCOCCO)N(C)C)cc1 ZINC000899104250 845777520 /nfs/dbraw/zinc/77/75/20/845777520.db2.gz RFEZAQXPYZHERS-KRWDZBQOSA-N 0 3 352.479 1.006 20 10 FDCDHN C[C@@H]1OCC[C@]1(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105534 845780223 /nfs/dbraw/zinc/78/02/23/845780223.db2.gz XUEMYFXVRFLKQQ-FNHZYXHNSA-N 0 3 364.490 1.194 20 10 FDCDHN C[C@H]1CN(C)C(=O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100606 845797633 /nfs/dbraw/zinc/79/76/33/845797633.db2.gz AYTGZBISTMGXGW-YOEHRIQHSA-N 0 3 361.490 1.227 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(=O)NCC(F)F)N(C)C)cc1 ZINC000899100957 845798853 /nfs/dbraw/zinc/79/88/53/845798853.db2.gz DREWBNJHFZNYGE-CQSZACIVSA-N 0 3 371.432 1.036 20 10 FDCDHN CCOc1ccc(O)c(CNCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c1 ZINC000922495579 878337629 /nfs/dbraw/zinc/33/76/29/878337629.db2.gz JTCKJPBPUCBHOP-UHFFFAOYSA-N 0 3 373.331 1.905 20 10 FDCDHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000186701499 881103843 /nfs/dbraw/zinc/10/38/43/881103843.db2.gz FJUINPGIKQRIOZ-XLIONFOSSA-N 0 3 361.486 1.876 20 10 FDCDHN CN1CCC[C@@H]1C(=O)NCc1cc(NC(=O)[C@@H]2CCCN2C)ccc1O ZINC000923123717 888098660 /nfs/dbraw/zinc/09/86/60/888098660.db2.gz ZNGRXSZYGDPADV-CVEARBPZSA-N 0 3 360.458 1.135 20 10 FDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N(C)C ZINC000730278362 916503798 /nfs/dbraw/zinc/50/37/98/916503798.db2.gz KRHIXCAZYMEGHC-KRWDZBQOSA-N 0 3 367.515 1.124 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000787671779 932364717 /nfs/dbraw/zinc/36/47/17/932364717.db2.gz RDQXHWHNLAZPQA-QGZVFWFLSA-N 0 3 374.529 1.949 20 10 FDCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788910383 932875375 /nfs/dbraw/zinc/87/53/75/932875375.db2.gz KJHIXAKDBNIOAT-GOSISDBHSA-N 0 3 372.513 1.894 20 10 FDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806280846 939879483 /nfs/dbraw/zinc/87/94/83/939879483.db2.gz WWZLGEQVENVONB-GFCCVEGCSA-N 0 3 356.517 1.342 20 10 FDCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000806327673 939900754 /nfs/dbraw/zinc/90/07/54/939900754.db2.gz OINKORJQGPRUQV-KRWDZBQOSA-N 0 3 360.502 1.668 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000807097982 940248070 /nfs/dbraw/zinc/24/80/70/940248070.db2.gz UIKMKMGLJCGSKW-UHFFFAOYSA-N 0 3 362.518 1.723 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000817706410 942900152 /nfs/dbraw/zinc/90/01/52/942900152.db2.gz OYIUXRFIWZVFED-GOSISDBHSA-N 0 3 360.502 1.702 20 10 FDCDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000817811561 942964170 /nfs/dbraw/zinc/96/41/70/942964170.db2.gz LRTWRUBZTNLURY-KRWDZBQOSA-N 0 3 358.486 1.238 20 10 FDCDHN C[C@H]([NH2+]CC(=O)N1CCNCC1)c1cc(Br)cc(F)c1[O-] ZINC000817946472 943090558 /nfs/dbraw/zinc/09/05/58/943090558.db2.gz XXRPTVXDYYNYSZ-VIFPVBQESA-N 0 3 360.227 1.376 20 10 FDCDHN CCN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCN(C)C1 ZINC000823520762 945826597 /nfs/dbraw/zinc/82/65/97/945826597.db2.gz YVMSWUVORYBHPJ-GOSISDBHSA-N 0 3 360.502 1.883 20 10 FDCDHN Cc1nc(CN2CCN(Cc3ccc(N4CCN(C)CC4)cc3)CC2)no1 ZINC000775685419 971392502 /nfs/dbraw/zinc/39/25/02/971392502.db2.gz LLAKBXYQWUGKLN-UHFFFAOYSA-N 0 3 370.501 1.448 20 10 FDCDHN C[NH+]1CCC2(CCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000857454017 971776079 /nfs/dbraw/zinc/77/60/79/971776079.db2.gz ROOFVMYPEGFODH-UHFFFAOYSA-N 0 3 353.444 1.074 20 10 FDCDHN COc1cc(I)cc(CN2CC(N(C)C)C2)c1O ZINC001248391186 960575301 /nfs/dbraw/zinc/57/53/01/960575301.db2.gz NNZDMPVSQQYKPG-UHFFFAOYSA-N 0 3 362.211 1.751 20 10 FDCDHN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC2(CO)CCN(C)CC2)c1 ZINC001186850406 964771440 /nfs/dbraw/zinc/77/14/40/964771440.db2.gz HYFKWRGFBFHVSC-UHFFFAOYSA-N 0 3 357.454 1.986 20 10 FDCDHN CC(C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632182 969036918 /nfs/dbraw/zinc/03/69/18/969036918.db2.gz FWQVMXJYWFNWIZ-ZFWWWQNUSA-N 0 3 363.458 1.405 20 10 FDCDHN O=C1COC[C@]2(C[NH2+]Cc3cc(-c4ccccc4)ccc3[O-])COCCN12 ZINC000865797659 974498874 /nfs/dbraw/zinc/49/88/74/974498874.db2.gz KJRQKYPHCAGUNI-NRFANRHFSA-N 0 3 368.433 1.777 20 10 FDCDHN C[C@@H]1CCN(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848217207 976490712 /nfs/dbraw/zinc/49/07/12/976490712.db2.gz QHYGLMZXOZLERA-CYBMUJFWSA-N 0 3 353.413 1.759 20 10 FDCDHN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1O ZINC000868309512 977487379 /nfs/dbraw/zinc/48/73/79/977487379.db2.gz JSNCLQMXHNXMFV-GFCCVEGCSA-N 0 3 355.394 1.690 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)c(OC)c1 ZINC000868365681 977540620 /nfs/dbraw/zinc/54/06/20/977540620.db2.gz HLGCUXFIGJZFTQ-OAHLLOKOSA-N 0 3 374.485 1.772 20 10 FDCDHN Nc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000850836454 978690894 /nfs/dbraw/zinc/69/08/94/978690894.db2.gz ALRYXRPQKRCSHU-UHFFFAOYSA-N 0 3 367.453 1.631 20 10 FDCDHN COc1ccc(N2CC[C@@H](NC(=O)C3(N)Cc4ccccc4C3)C2)cc1 ZINC000851640479 978981951 /nfs/dbraw/zinc/98/19/51/978981951.db2.gz VXFFPZYKZYXRQM-QGZVFWFLSA-N 0 3 351.450 1.886 20 10 FDCDHN CCC[C@H](N)c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881022643 979589698 /nfs/dbraw/zinc/58/96/98/979589698.db2.gz CNHIMPDFCTWQBJ-KRWDZBQOSA-N 0 3 372.473 1.435 20 10 FDCDHN CN(C)c1cc(F)c(CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1F ZINC000858244350 981938960 /nfs/dbraw/zinc/93/89/60/981938960.db2.gz VOXJDDHLWYKABD-ZDUSSCGKSA-N 0 3 373.411 1.837 20 10 FDCDHN COc1ccc(CNCC[C@H]2CCCS2(=O)=O)cc1Cn1cccn1 ZINC000883296644 982054957 /nfs/dbraw/zinc/05/49/57/982054957.db2.gz SFWUFAHZCGOUDP-QGZVFWFLSA-N 0 3 363.483 1.997 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C)c3ccnn3C)CC2)cc1 ZINC000872240681 987536952 /nfs/dbraw/zinc/53/69/52/987536952.db2.gz YSCFXEQIKNHVMU-WMZOPIPTSA-N 0 3 373.501 1.262 20 10 FDCDHN COc1ccc(CN[C@H](C)C2(S(C)(=O)=O)CC2)cc1Cn1cccn1 ZINC000873126581 988593170 /nfs/dbraw/zinc/59/31/70/988593170.db2.gz UWBVJVQGSYMOBV-CQSZACIVSA-N 0 3 363.483 1.995 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@]3(C1)CCCOC3)cc2=O ZINC000366942943 988859022 /nfs/dbraw/zinc/85/90/22/988859022.db2.gz JAKJGPGRVFXNKM-GOSISDBHSA-N 0 3 360.414 1.614 20 10 FDCDHN CCN1CCN(CCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000363342666 989109732 /nfs/dbraw/zinc/10/97/32/989109732.db2.gz GNYUZCNGGMHANK-UHFFFAOYSA-N 0 3 374.529 1.762 20 10 FDCDHN CN1CCCc2cc(CNC(=O)N[C@H]3CCCN(CCCO)C3)ccc21 ZINC000297200758 989493760 /nfs/dbraw/zinc/49/37/60/989493760.db2.gz LODKARQZGYXJEJ-SFHVURJKSA-N 0 3 360.502 1.715 20 10 FDCDHN COC[C@]1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCCCN1 ZINC000876748518 992869915 /nfs/dbraw/zinc/86/99/15/992869915.db2.gz DORCOJFBBMEDCL-FQEVSTJZSA-N 0 3 361.486 1.939 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](N)CCC(C)C)cc2)CC1 ZINC000876909855 992962723 /nfs/dbraw/zinc/96/27/23/992962723.db2.gz KJCNGUJDZBEEMY-LJQANCHMSA-N 0 3 360.502 1.735 20 10 FDCDHN CNC(=O)[C@H](CCSC)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877536319 993326601 /nfs/dbraw/zinc/32/66/01/993326601.db2.gz YYZOJUPOVOFMJK-KRWDZBQOSA-N 0 3 351.516 1.605 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)CS(N)(=O)=O)c1[O-] ZINC000877734917 993487088 /nfs/dbraw/zinc/48/70/88/993487088.db2.gz KCCRQNXRBNSAGF-UHFFFAOYSA-N 0 3 365.293 1.867 20 10 FDCDHN CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879648985 995134596 /nfs/dbraw/zinc/13/45/96/995134596.db2.gz IODLFFMVRJMMSZ-QLFBSQMISA-N 0 3 368.499 1.857 20 10 FDCDHN CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879647793 995135430 /nfs/dbraw/zinc/13/54/30/995135430.db2.gz LPDIZAGDYDUXHZ-MCIONIFRSA-N 0 3 354.472 1.467 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1[C@H](O)CC)cc2=O ZINC000265072119 997689414 /nfs/dbraw/zinc/68/94/14/997689414.db2.gz WPVGELOCJSFOSZ-LSDHHAIUSA-N 0 3 362.430 1.737 20 10 FDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000284019948 999771124 /nfs/dbraw/zinc/77/11/24/999771124.db2.gz OHZFLATWABFKLE-AWEZNQCLSA-N 0 3 364.465 1.499 20 10 FDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000284393656 999823073 /nfs/dbraw/zinc/82/30/73/999823073.db2.gz AHHKQUBFHPJNDU-UHFFFAOYSA-N 0 3 372.513 1.846 20 10 FDCDHN Cc1cc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000929767463 1002416651 /nfs/dbraw/zinc/41/66/51/1002416651.db2.gz KPVUTMBAHLUCRL-QGZVFWFLSA-N 0 3 373.457 1.084 20 10 FDCDHN COCC[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929918382 1002595397 /nfs/dbraw/zinc/59/53/97/1002595397.db2.gz VKTVLFRMGLBNKW-RHSMWYFYSA-N 0 3 364.490 1.013 20 10 FDCDHN Cn1cc(C2=NC[C@@H](CN(Cc3ccccc3O)C[C@H]3CCCO3)O2)cn1 ZINC000929972023 1002677661 /nfs/dbraw/zinc/67/76/61/1002677661.db2.gz REGKTLCVNSEZQI-MSOLQXFVSA-N 0 3 370.453 1.952 20 10 FDCDHN COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000779060250 1007246190 /nfs/dbraw/zinc/24/61/90/1007246190.db2.gz ZJVQQKOOGCUDSA-UHFFFAOYSA-N 0 3 368.430 1.746 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CCc3nnc[nH]3)cc2F)CC1 ZINC000078734744 1009622031 /nfs/dbraw/zinc/62/20/31/1009622031.db2.gz FTFMEFBHSUCLQB-UHFFFAOYSA-N 0 3 360.437 1.335 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)CCc3nc[nH]n3)cc2F)CC1 ZINC000078734744 1009622039 /nfs/dbraw/zinc/62/20/39/1009622039.db2.gz FTFMEFBHSUCLQB-UHFFFAOYSA-N 0 3 360.437 1.335 20 10 FDCDHN CCN(CC)CC(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779512731 1009664727 /nfs/dbraw/zinc/66/47/27/1009664727.db2.gz QPQYGJANLCAYAI-SOFGYWHQSA-N 0 3 361.442 1.124 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](c3ncc[nH]3)C1)cc2=O ZINC000080973883 523923583 /nfs/dbraw/zinc/92/35/83/523923583.db2.gz GFCSIAUJNKRRQF-LBPRGKRZSA-N 0 3 370.413 1.714 20 10 FDCDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000090511861 524598577 /nfs/dbraw/zinc/59/85/77/524598577.db2.gz NPSWGWHFVWBTNR-UHFFFAOYSA-N 0 3 372.425 1.725 20 10 FDCDHN NC(=O)c1cncc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000091675993 524760332 /nfs/dbraw/zinc/76/03/32/524760332.db2.gz JKGVXZJEKIUQIP-UHFFFAOYSA-N 0 3 366.469 1.720 20 10 FDCDHN CC(C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)S(C)(=O)=O ZINC000114683673 524851139 /nfs/dbraw/zinc/85/11/39/524851139.db2.gz ZGMFCJLETJFTJF-WMLDXEAASA-N 0 3 368.499 1.693 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCCn1ccnc1)cc2=O ZINC000124269275 524944994 /nfs/dbraw/zinc/94/49/94/524944994.db2.gz IKLLQRXCTXSFTB-UHFFFAOYSA-N 0 3 358.402 1.330 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)N(C)CCN(C)C)cc2F)CC1 ZINC000176339898 525085919 /nfs/dbraw/zinc/08/59/19/525085919.db2.gz MPXAFUDKOOJASW-UHFFFAOYSA-N 0 3 365.497 1.671 20 10 FDCDHN CC[C@@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)N(C)C ZINC000164650825 525521384 /nfs/dbraw/zinc/52/13/84/525521384.db2.gz ABXYUUQCLAUKNT-KRWDZBQOSA-N 0 3 350.482 1.924 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N(C)CCCN2CCN(C)CC2)cc1F ZINC000182524255 526198690 /nfs/dbraw/zinc/19/86/90/526198690.db2.gz NKMVJVKNTWHMGO-UHFFFAOYSA-N 0 3 365.497 1.671 20 10 FDCDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906701 537016276 /nfs/dbraw/zinc/01/62/76/537016276.db2.gz MAZLBVWPWNOTSW-NVXWUHKLSA-N 0 3 350.482 1.559 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@@H]1CCCC[C@@H]1O)cc2=O ZINC000272574647 537301635 /nfs/dbraw/zinc/30/16/35/537301635.db2.gz RCHCNNLWGCQCLK-WFASDCNBSA-N 0 3 362.430 1.595 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000273389154 537443398 /nfs/dbraw/zinc/44/33/98/537443398.db2.gz KHQSZCJAASOVTI-LBPRGKRZSA-N 0 3 357.410 1.467 20 10 FDCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000273389154 537443406 /nfs/dbraw/zinc/44/34/06/537443406.db2.gz KHQSZCJAASOVTI-LBPRGKRZSA-N 0 3 357.410 1.467 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](CO)CC(C)C)cc2=O ZINC000274840069 537531967 /nfs/dbraw/zinc/53/19/67/537531967.db2.gz COBKKLNVXIMXAM-ZDUSSCGKSA-N 0 3 350.419 1.450 20 10 FDCDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000236839232 537601264 /nfs/dbraw/zinc/60/12/64/537601264.db2.gz LITHVTXKPBSDRL-WMZOPIPTSA-N 0 3 358.486 1.260 20 10 FDCDHN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000291867324 537685702 /nfs/dbraw/zinc/68/57/02/537685702.db2.gz JNIFAFFFSLQZBS-KDOFPFPSSA-N 0 3 363.410 1.911 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3OCCC[C@@H]3C1)cc2=O ZINC000377140148 537956473 /nfs/dbraw/zinc/95/64/73/537956473.db2.gz BNFGUJMGDNCMGE-IUODEOHRSA-N 0 3 360.414 1.613 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)[C@H](N)CCSC)CC2)cc1 ZINC000272516958 674453009 /nfs/dbraw/zinc/45/30/09/674453009.db2.gz YQHOQZGSLINJBM-QGZVFWFLSA-N 0 3 366.531 1.014 20 10 FDCDHN CN(C)CCN1C[C@@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000074675949 671413420 /nfs/dbraw/zinc/41/34/20/671413420.db2.gz QFRIXGFGNUMUMY-LBPRGKRZSA-N 0 3 356.517 1.152 20 10 FDCDHN COc1cc(Cl)cc(CN[C@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000359977125 676859376 /nfs/dbraw/zinc/85/93/76/676859376.db2.gz VPKCYJPAIDIKPN-LBPRGKRZSA-N 0 3 350.806 1.683 20 10 FDCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1F ZINC000377578750 678566260 /nfs/dbraw/zinc/56/62/60/678566260.db2.gz BGKYLWUMGSXQKN-CABCVRRESA-N 0 3 350.438 1.554 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnc3c2CC(=O)N3)N(C)C)cc1 ZINC000891246173 774084251 /nfs/dbraw/zinc/08/42/51/774084251.db2.gz MVPMPSSGQXILCH-KRWDZBQOSA-N 0 3 367.453 1.675 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2nc3ncccn3n2)N(C)C)cc1 ZINC000891246528 774089613 /nfs/dbraw/zinc/08/96/13/774089613.db2.gz ORKPJWIWBWBOAM-OAHLLOKOSA-N 0 3 353.430 1.223 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3ncccn3n2)N(C)C)cc1 ZINC000891247262 774093203 /nfs/dbraw/zinc/09/32/03/774093203.db2.gz HVFGDUMWEHBXDO-KRWDZBQOSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn3ncccc23)N(C)C)cc1 ZINC000891248697 774110809 /nfs/dbraw/zinc/11/08/09/774110809.db2.gz NBIINHMHUKGEQV-GOSISDBHSA-N 0 3 352.442 1.828 20 10 FDCDHN CCC(=O)N1CC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891251097 774128851 /nfs/dbraw/zinc/12/88/51/774128851.db2.gz DRZUYRSMTZHHKV-WMZOPIPTSA-N 0 3 360.502 1.730 20 10 FDCDHN Cc1nnc2n1C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC000891253153 774140151 /nfs/dbraw/zinc/14/01/51/774140151.db2.gz RDJZQMMNGSOMEP-FUHWJXTLSA-N 0 3 370.501 1.634 20 10 FDCDHN COC(=O)NC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254157 774150154 /nfs/dbraw/zinc/15/01/54/774150154.db2.gz WNWQGCKAXSIUIY-HNNXBMFYSA-N 0 3 350.463 1.606 20 10 FDCDHN Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(=O)[nH]c1C ZINC000891254207 774150481 /nfs/dbraw/zinc/15/04/81/774150481.db2.gz XNHZMNDLRULGIB-INIZCTEOSA-N 0 3 357.458 1.898 20 10 FDCDHN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254978 774152117 /nfs/dbraw/zinc/15/21/17/774152117.db2.gz LNMKAQQXAHQNKQ-IRXDYDNUSA-N 0 3 364.515 1.393 20 10 FDCDHN COc1cc(N2CCN(c3ccncc3CO)CC2)cc(OC)c1OC ZINC000893173383 793688987 /nfs/dbraw/zinc/68/89/87/793688987.db2.gz NTGRUZAEKYNQCN-UHFFFAOYSA-N 0 3 359.426 1.926 20 10 FDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000185748364 794786860 /nfs/dbraw/zinc/78/68/60/794786860.db2.gz HCRAOHPJIALMHX-GOSISDBHSA-N 0 3 371.529 1.888 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000893642871 808452479 /nfs/dbraw/zinc/45/24/79/808452479.db2.gz QEFUQOOECMQHOD-QFBILLFUSA-N 0 3 370.501 1.935 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCn3ccnc3C2)N(C)C)cc1 ZINC000894310033 816196115 /nfs/dbraw/zinc/19/61/15/816196115.db2.gz RRYYQQFZCBWNQB-FUHWJXTLSA-N 0 3 370.501 1.866 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]CCN(C)CCOCCO)c1[O-] ZINC000895665173 822689655 /nfs/dbraw/zinc/68/96/55/822689655.db2.gz FVVINGDNWZMODI-UHFFFAOYSA-N 0 3 361.280 1.493 20 10 FDCDHN COC(=O)N(C)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895826201 822754045 /nfs/dbraw/zinc/75/40/45/822754045.db2.gz XNDXXJYDXPUQHD-MRXNPFEDSA-N 0 3 365.478 1.353 20 10 FDCDHN COc1cc([O-])c(CN2CC[C@](C)([NH3+])C2)cc1I ZINC001204809536 829943970 /nfs/dbraw/zinc/94/39/70/829943970.db2.gz JDTDNLWTELBVPO-ZDUSSCGKSA-N 0 3 362.211 1.929 20 10 FDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245747700 835644801 /nfs/dbraw/zinc/64/48/01/835644801.db2.gz SVUWNABIBMVMOZ-XJMNNFRSSA-N 0 3 368.433 1.863 20 10 FDCDHN CN(C)c1ccc([C@@H](CNCc2cn(C[C@@H]3CCCO3)nn2)N(C)C)cc1 ZINC000898447250 844713649 /nfs/dbraw/zinc/71/36/49/844713649.db2.gz IBSMNXYAUFLMRN-VQTJNVASSA-N 0 3 372.517 1.916 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cn(C)nn2)N(C)C)cc1 ZINC000899097470 845760112 /nfs/dbraw/zinc/76/01/12/845760112.db2.gz AXWULODWGHHGOR-KRWDZBQOSA-N 0 3 359.478 1.325 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@]23CCOC3=O)N(C)C)cc1 ZINC000899101524 845773433 /nfs/dbraw/zinc/77/34/33/845773433.db2.gz ISFHETRAJYNOHO-YLJYHZDGSA-N 0 3 374.485 1.846 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)C(F)(F)F)N(C)C)cc1 ZINC000899102822 845775595 /nfs/dbraw/zinc/77/55/95/845775595.db2.gz SJDMXARVWXUESL-KBPBESRZSA-N 0 3 362.396 1.578 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)N(C)C)cc1 ZINC000899098497 845791897 /nfs/dbraw/zinc/79/18/97/845791897.db2.gz OYPFQUGMTICWIP-UAGQMJEPSA-N 0 3 361.490 1.261 20 10 FDCDHN C[C@H](O)[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899099246 845793577 /nfs/dbraw/zinc/79/35/77/845793577.db2.gz XMKIKPVCJODTJQ-WBAXXEDZSA-N 0 3 364.490 1.147 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@](F)(CO)C2)N(C)C)cc1 ZINC000899100571 845797709 /nfs/dbraw/zinc/79/77/09/845797709.db2.gz ANWNAHQIIIPBNQ-WMZOPIPTSA-N 0 3 352.454 1.471 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)c2ccco2)N(C)C)cc1 ZINC000899100824 845797757 /nfs/dbraw/zinc/79/77/57/845797757.db2.gz FAMNCOFFGRPTTR-IRXDYDNUSA-N 0 3 360.458 1.981 20 10 FDCDHN C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)CN1CCN(C)CC1 ZINC000073917217 881356755 /nfs/dbraw/zinc/35/67/55/881356755.db2.gz BJBBJQBZLHDSSQ-QGZVFWFLSA-N 0 3 373.545 1.752 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000916633024 881856324 /nfs/dbraw/zinc/85/63/24/881856324.db2.gz FLTOWHKDHJEOCZ-FHWLQOOXSA-N 0 3 365.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000916633024 881856338 /nfs/dbraw/zinc/85/63/38/881856338.db2.gz FLTOWHKDHJEOCZ-FHWLQOOXSA-N 0 3 365.470 1.930 20 10 FDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1C ZINC000914242470 871993832 /nfs/dbraw/zinc/99/38/32/871993832.db2.gz LAXICRNWWDIPBS-CZUORRHYSA-N 0 3 350.438 1.554 20 10 FDCDHN CN(C)c1ccc(CNCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)cc1 ZINC000922498402 878346771 /nfs/dbraw/zinc/34/67/71/878346771.db2.gz UZNZKHZLESJYKZ-UHFFFAOYSA-N 0 3 356.348 1.867 20 10 FDCDHN CCOCc1cc(CNC[C@]2(OC)CCS(=O)(=O)C2)ccc1OC ZINC000922614545 878786270 /nfs/dbraw/zinc/78/62/70/878786270.db2.gz FPLDPKJPQAUQHO-QGZVFWFLSA-N 0 3 357.472 1.525 20 10 FDCDHN Cc1ncc2n1C[C@H](C(=O)NCc1ccc(N3CCN(C)CC3)cc1)CC2 ZINC000918851968 884969052 /nfs/dbraw/zinc/96/90/52/884969052.db2.gz FFKIKXZGYSXUPX-GOSISDBHSA-N 0 3 367.497 1.822 20 10 FDCDHN O=C1C[C@H](NCc2ccc3c(c2)CCCO3)CN1CCN1CCOCC1 ZINC000921759089 897723600 /nfs/dbraw/zinc/72/36/00/897723600.db2.gz PYMWIBYSAMQQIG-SFHVURJKSA-N 0 3 359.470 1.034 20 10 FDCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ncccn1 ZINC000112536851 903536610 /nfs/dbraw/zinc/53/66/10/903536610.db2.gz FYLDZHKGULYXAE-GJZGRUSLSA-N 0 3 355.442 1.991 20 10 FDCDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785426391 903983556 /nfs/dbraw/zinc/98/35/56/903983556.db2.gz XNROVWGNCBIILB-HZPDHXFCSA-N 0 3 360.502 1.748 20 10 FDCDHN NC(=O)CNC(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921542032 907709192 /nfs/dbraw/zinc/70/91/92/907709192.db2.gz FMVNLSYCAXCKHZ-UHFFFAOYSA-N 0 3 353.422 1.517 20 10 FDCDHN CCCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)O ZINC000741806255 925868756 /nfs/dbraw/zinc/86/87/56/925868756.db2.gz QLJVOPLQGPBXPR-UHFFFAOYSA-N 0 3 363.502 1.827 20 10 FDCDHN COc1cnccc1N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000794339504 938389377 /nfs/dbraw/zinc/38/93/77/938389377.db2.gz OGFHMCDKRDSTEJ-HYXAFXHYSA-N 0 3 355.394 1.863 20 10 FDCDHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c(C)n1-c1ccccn1 ZINC000808159857 940523840 /nfs/dbraw/zinc/52/38/40/940523840.db2.gz LFHKIFHSAUBSOT-DLBZAZTESA-N 0 3 354.454 1.770 20 10 FDCDHN O=S(=O)(NC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)C1CC1 ZINC000808225586 940530024 /nfs/dbraw/zinc/53/00/24/940530024.db2.gz RZOHJUZMBYCEDW-LBPRGKRZSA-N 0 3 368.455 1.415 20 10 FDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c([O-])c1 ZINC000809688140 940886738 /nfs/dbraw/zinc/88/67/38/940886738.db2.gz BYRJJEPMWBAURV-AWEZNQCLSA-N 0 3 356.488 1.894 20 10 FDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c([O-])c1 ZINC000809688140 940886743 /nfs/dbraw/zinc/88/67/43/940886743.db2.gz BYRJJEPMWBAURV-AWEZNQCLSA-N 0 3 356.488 1.894 20 10 FDCDHN Cn1cc([C@@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2[NH3+])cn1 ZINC000818431511 943239660 /nfs/dbraw/zinc/23/96/60/943239660.db2.gz OWKAREDSBSBRAX-UONOGXRCSA-N 0 3 351.248 1.815 20 10 FDCDHN C[C@@](O)(CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000818967971 943386068 /nfs/dbraw/zinc/38/60/68/943386068.db2.gz HEIZOOKCSVXWNL-CZUORRHYSA-N 0 3 359.392 1.791 20 10 FDCDHN CCc1ncc(CNC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000819358077 943540364 /nfs/dbraw/zinc/54/03/64/943540364.db2.gz YWRWUDCATUJHSR-QGZVFWFLSA-N 0 3 374.485 1.518 20 10 FDCDHN COc1ccc(O)c(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000824738597 946699267 /nfs/dbraw/zinc/69/92/67/946699267.db2.gz OLVCQQPSNGOWMM-UHFFFAOYSA-N 0 3 350.440 1.941 20 10 FDCDHN CN(C)c1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000846032208 950383456 /nfs/dbraw/zinc/38/34/56/950383456.db2.gz BLDNVJUXHUHTGE-LBPRGKRZSA-N 0 3 365.421 1.895 20 10 FDCDHN C[C@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775253656 966988123 /nfs/dbraw/zinc/98/81/23/966988123.db2.gz AQCGHAGHFZUWKN-BBWFWOEESA-N 0 3 361.486 1.810 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000775370526 967699599 /nfs/dbraw/zinc/69/95/99/967699599.db2.gz VWLJCARCUHEYEI-CYBMUJFWSA-N 0 3 361.442 1.132 20 10 FDCDHN Cn1ccnc1S(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC001193631660 969777723 /nfs/dbraw/zinc/77/77/23/969777723.db2.gz ROWPBJSCSXDDDC-UHFFFAOYSA-N 0 3 350.444 1.069 20 10 FDCDHN CN(C)CCCS(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000866541888 975769195 /nfs/dbraw/zinc/76/91/95/975769195.db2.gz DGVDBTBQXVSXJC-UHFFFAOYSA-N 0 3 359.467 1.033 20 10 FDCDHN COc1cccc(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1O ZINC000849563236 977754934 /nfs/dbraw/zinc/75/49/34/977754934.db2.gz JEHYWNJIAPVJNB-HZPDHXFCSA-N 0 3 358.442 1.486 20 10 FDCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c1 ZINC000851899730 979174083 /nfs/dbraw/zinc/17/40/83/979174083.db2.gz DQNFSAKVSXPIOL-IUODEOHRSA-N 0 3 364.442 1.994 20 10 FDCDHN CN(C)c1cc(F)c(CNC[C@@]2(CO)COCC3(CCC3)N2C)cc1F ZINC000858224180 981926150 /nfs/dbraw/zinc/92/61/50/981926150.db2.gz XWXXTDUNLTZGMX-LJQANCHMSA-N 0 3 369.456 1.736 20 10 FDCDHN Cc1nccn1CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883263719 982036363 /nfs/dbraw/zinc/03/63/63/982036363.db2.gz DARXPBATJOTDGJ-UHFFFAOYSA-N 0 3 356.474 1.443 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)c3ncoc3CN)cc2F)CC1 ZINC000884236526 983014407 /nfs/dbraw/zinc/01/44/07/983014407.db2.gz XOHNTHMDDBJCAT-UHFFFAOYSA-N 0 3 361.421 1.344 20 10 FDCDHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000861529084 983764718 /nfs/dbraw/zinc/76/47/18/983764718.db2.gz GMECDUQXKKDBEM-UHFFFAOYSA-N 0 3 360.458 1.311 20 10 FDCDHN CCc1nn(C)cc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324653 986071278 /nfs/dbraw/zinc/07/12/78/986071278.db2.gz BALZPGJWWRPTFR-UHFFFAOYSA-N 0 3 355.486 1.974 20 10 FDCDHN CN1CCN(c2ccnc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)CC1 ZINC000870667159 986214048 /nfs/dbraw/zinc/21/40/48/986214048.db2.gz UBEVSDULSCHYBC-HYXAFXHYSA-N 0 3 354.410 1.897 20 10 FDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCSc1nccs1 ZINC000888565795 986900098 /nfs/dbraw/zinc/90/00/98/986900098.db2.gz VCCBXUVJGGAMRH-GFCCVEGCSA-N 0 3 371.532 1.387 20 10 FDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000825721237 990037757 /nfs/dbraw/zinc/03/77/57/990037757.db2.gz MADRHZMWKKIWIV-INIZCTEOSA-N 0 3 373.501 1.548 20 10 FDCDHN CNC(=O)CC[C@@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298543090 990149887 /nfs/dbraw/zinc/14/98/87/990149887.db2.gz NJUXJJNSEYWQQE-SFHVURJKSA-N 0 3 360.502 1.750 20 10 FDCDHN COc1cc(O)c(CN2CCC(NC(=O)c3cnn(C)c3)CC2)cc1OC ZINC000372391950 991072168 /nfs/dbraw/zinc/07/21/68/991072168.db2.gz QQWQMLPHJLOPKC-UHFFFAOYSA-N 0 3 374.441 1.537 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000372557010 991211588 /nfs/dbraw/zinc/21/15/88/991211588.db2.gz LGHJCVYDCXMNDS-HXUWFJFHSA-N 0 3 358.486 1.313 20 10 FDCDHN COc1c([O-])c(C[N@@H+]2CCC[C@H]2CN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000373200896 992000060 /nfs/dbraw/zinc/00/00/60/992000060.db2.gz AOZPUHHFFIABMF-GJZGRUSLSA-N 0 3 365.430 1.730 20 10 FDCDHN COc1c([O-])c(C[N@H+]2CCC[C@H]2CN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000373200896 992000073 /nfs/dbraw/zinc/00/00/73/992000073.db2.gz AOZPUHHFFIABMF-GJZGRUSLSA-N 0 3 365.430 1.730 20 10 FDCDHN Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c([O-])c1 ZINC000876583410 992719999 /nfs/dbraw/zinc/71/99/99/992719999.db2.gz LBJPQWFWDYAPTH-UHFFFAOYSA-N 0 3 359.470 1.637 20 10 FDCDHN O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000924759373 994977113 /nfs/dbraw/zinc/97/71/13/994977113.db2.gz ILCMNYGXWNRQIK-IBGZPJMESA-N 0 3 373.497 1.280 20 10 FDCDHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000271093139 999660175 /nfs/dbraw/zinc/66/01/75/999660175.db2.gz IWVGJJNMAIATRP-IBGZPJMESA-N 0 3 360.502 1.735 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@@H](C)CC3)CC2)cc1 ZINC000932349291 1004919816 /nfs/dbraw/zinc/91/98/16/1004919816.db2.gz WFUMMWGWRLNKIK-PKOBYXMFSA-N 0 3 363.502 1.289 20 10 FDCDHN CC(C)n1nnc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000933454653 1005560701 /nfs/dbraw/zinc/56/07/01/1005560701.db2.gz XQBHPYHDMXJZPA-HNNXBMFYSA-N 0 3 360.466 1.744 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934253036 1005721089 /nfs/dbraw/zinc/72/10/89/1005721089.db2.gz AWCGYUFLEPNCAN-WOJBJXKFSA-N 0 3 374.529 1.242 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)Cc2ccon2)N(C)C)cc1 ZINC000934318017 1005731885 /nfs/dbraw/zinc/73/18/85/1005731885.db2.gz ZDSXGYFTLVZJEJ-KRWDZBQOSA-N 0 3 373.457 1.118 20 10 FDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638134955 1006362171 /nfs/dbraw/zinc/36/21/71/1006362171.db2.gz XZGUJOYWDZQBEK-SFHVURJKSA-N 0 3 368.481 1.937 20 10 FDCDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779480635 1009623874 /nfs/dbraw/zinc/62/38/74/1009623874.db2.gz FYYBNLUOIKNWBM-CLFYSBASSA-N 0 3 364.442 1.843 20 10 FDCDHN COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(O)c1OC ZINC000892174431 781966114 /nfs/dbraw/zinc/96/61/14/781966114.db2.gz ADXXVVJAQRINCK-HNNXBMFYSA-N 0 3 363.458 1.148 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3CCO)CC2)cc1 ZINC000070950995 522061862 /nfs/dbraw/zinc/06/18/62/522061862.db2.gz OBMZZRJNEWPLEN-QGZVFWFLSA-N 0 3 361.486 1.581 20 10 FDCDHN CCOc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000063201859 522562922 /nfs/dbraw/zinc/56/29/22/522562922.db2.gz SSDXNFMKPYGLSV-UHFFFAOYSA-N 0 3 350.440 1.771 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCC(CN3CCOCC3)CC2)cc1 ZINC000075937869 522996276 /nfs/dbraw/zinc/99/62/76/522996276.db2.gz XLOKLJUFGFEUHE-UHFFFAOYSA-N 0 3 374.529 1.413 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129356855 525644823 /nfs/dbraw/zinc/64/48/23/525644823.db2.gz PVBWTGYEDYHVEL-IBGZPJMESA-N 0 3 374.529 1.365 20 10 FDCDHN O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000130604921 525775872 /nfs/dbraw/zinc/77/58/72/525775872.db2.gz ZHHKNMOCPVLSTJ-UHFFFAOYSA-N 0 3 354.472 1.455 20 10 FDCDHN Nc1ccc(CC(=O)NCCCN2CCN(c3ccncc3)CC2)cc1 ZINC000269310390 537019580 /nfs/dbraw/zinc/01/95/80/537019580.db2.gz WPHSZDWRSREDMG-UHFFFAOYSA-N 0 3 353.470 1.535 20 10 FDCDHN CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265203336 537152359 /nfs/dbraw/zinc/15/23/59/537152359.db2.gz RPUQEKNGPCKYLO-LBPRGKRZSA-N 0 3 355.460 1.178 20 10 FDCDHN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265203336 537152362 /nfs/dbraw/zinc/15/23/62/537152362.db2.gz RPUQEKNGPCKYLO-LBPRGKRZSA-N 0 3 355.460 1.178 20 10 FDCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C1CC1 ZINC000285767795 537264225 /nfs/dbraw/zinc/26/42/25/537264225.db2.gz RUDUGFYOVMJTGQ-LBPRGKRZSA-N 0 3 350.438 1.107 20 10 FDCDHN CCN1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)CC1 ZINC000278207420 537280962 /nfs/dbraw/zinc/28/09/62/537280962.db2.gz JTFKJALPYGTMTH-OAHLLOKOSA-N 0 3 364.446 1.521 20 10 FDCDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)CC1 ZINC000278207420 537280969 /nfs/dbraw/zinc/28/09/69/537280969.db2.gz JTFKJALPYGTMTH-OAHLLOKOSA-N 0 3 364.446 1.521 20 10 FDCDHN O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000283076896 537351654 /nfs/dbraw/zinc/35/16/54/537351654.db2.gz VFXJLMCPXLRYKU-OAHLLOKOSA-N 0 3 370.405 1.890 20 10 FDCDHN CCCN(CC)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000288328503 537482037 /nfs/dbraw/zinc/48/20/37/537482037.db2.gz VDXAJOHYIWJVIE-UHFFFAOYSA-N 0 3 352.454 1.356 20 10 FDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288675489 537534747 /nfs/dbraw/zinc/53/47/47/537534747.db2.gz WKJIBCKTWRBHCJ-UHFFFAOYSA-N 0 3 358.486 1.478 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000296517551 537715029 /nfs/dbraw/zinc/71/50/29/537715029.db2.gz ZWDQUYZDLVUSFB-RLLQIKCJSA-N 0 3 373.497 1.747 20 10 FDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285494980 537722119 /nfs/dbraw/zinc/72/21/19/537722119.db2.gz MRDAUTCUVXEAMM-CQSZACIVSA-N 0 3 354.472 1.837 20 10 FDCDHN CCOc1ccc(O)c(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285494980 537722121 /nfs/dbraw/zinc/72/21/21/537722121.db2.gz MRDAUTCUVXEAMM-CQSZACIVSA-N 0 3 354.472 1.837 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1=CCN(C)CC1 ZINC000285590987 537734948 /nfs/dbraw/zinc/73/49/48/537734948.db2.gz ASDQGKOREAZBKL-OAHLLOKOSA-N 0 3 370.497 1.452 20 10 FDCDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372463119 537957767 /nfs/dbraw/zinc/95/77/67/537957767.db2.gz GDHGUODNWARKNB-GOSISDBHSA-N 0 3 360.502 1.931 20 10 FDCDHN COc1cc(O)c(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1OC ZINC000271746679 674377575 /nfs/dbraw/zinc/37/75/75/674377575.db2.gz TUIUSLNIKGCIEQ-CQSZACIVSA-N 0 3 372.487 1.703 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000273489465 674542386 /nfs/dbraw/zinc/54/23/86/674542386.db2.gz OBLZLUPWRGUGCO-UKRRQHHQSA-N 0 3 372.487 1.540 20 10 FDCDHN COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278349402 675125169 /nfs/dbraw/zinc/12/51/69/675125169.db2.gz MOOYXKWSSNOIGP-JQHSSLGASA-N 0 3 353.459 1.786 20 10 FDCDHN COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278349402 675125171 /nfs/dbraw/zinc/12/51/71/675125171.db2.gz MOOYXKWSSNOIGP-JQHSSLGASA-N 0 3 353.459 1.786 20 10 FDCDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000131145543 671801367 /nfs/dbraw/zinc/80/13/67/671801367.db2.gz LKRPLRFQRYVBRL-UHFFFAOYSA-N 0 3 350.482 1.878 20 10 FDCDHN C[C@@H](NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccccc1O ZINC000183605362 672232875 /nfs/dbraw/zinc/23/28/75/672232875.db2.gz WBSWDEMFJVBWQU-CQSZACIVSA-N 0 3 364.467 1.856 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCCOC(C)C)cc2=O ZINC000265827018 672997732 /nfs/dbraw/zinc/99/77/32/672997732.db2.gz BWRVTNQRTSCAPA-UHFFFAOYSA-N 0 3 350.419 1.859 20 10 FDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289390166 676128130 /nfs/dbraw/zinc/12/81/30/676128130.db2.gz QUXOBJPWQLVWKG-HNNXBMFYSA-N 0 3 356.850 1.476 20 10 FDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289390166 676128133 /nfs/dbraw/zinc/12/81/33/676128133.db2.gz QUXOBJPWQLVWKG-HNNXBMFYSA-N 0 3 356.850 1.476 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000293924691 676370606 /nfs/dbraw/zinc/37/06/06/676370606.db2.gz MGQIPWYDYMLQHS-UHFFFAOYSA-N 0 3 369.487 1.760 20 10 FDCDHN O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000297150366 676424477 /nfs/dbraw/zinc/42/44/77/676424477.db2.gz ZYLZMYGLIKFBKQ-QWHCGFSZSA-N 0 3 353.465 1.865 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000359960314 676859242 /nfs/dbraw/zinc/85/92/42/676859242.db2.gz ZKWMVIRGTMPDLW-DIFFPNOSSA-N 0 3 367.833 1.864 20 10 FDCDHN COc1ccc(O)c([C@@H](C)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000375256280 678098623 /nfs/dbraw/zinc/09/86/23/678098623.db2.gz OUIZUCYKIBDTJE-UKRRQHHQSA-N 0 3 354.472 1.962 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)N(C)C)cc1 ZINC000891247060 774091395 /nfs/dbraw/zinc/09/13/95/774091395.db2.gz HAVGXEBIBAEAQQ-RDJZCZTQSA-N 0 3 356.474 1.710 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N(C)C)cc1 ZINC000891247536 774094899 /nfs/dbraw/zinc/09/48/99/774094899.db2.gz ICKOJPWLJPDPSX-AWEZNQCLSA-N 0 3 360.418 1.427 20 10 FDCDHN Cc1nc(N)nc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249558 774109158 /nfs/dbraw/zinc/10/91/58/774109158.db2.gz UORFLAJDWYOYPD-MRXNPFEDSA-N 0 3 356.474 1.774 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)N(C)C)cc1 ZINC000891250192 774120689 /nfs/dbraw/zinc/12/06/89/774120689.db2.gz VGUYYDCOOACOPE-NVXWUHKLSA-N 0 3 371.489 1.111 20 10 FDCDHN Cc1nnc2n1C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC000891253156 774139843 /nfs/dbraw/zinc/13/98/43/774139843.db2.gz RDJZQMMNGSOMEP-SJLPKXTDSA-N 0 3 370.501 1.634 20 10 FDCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)N1CCN(C)CC1 ZINC000891254271 774150326 /nfs/dbraw/zinc/15/03/26/774150326.db2.gz XZVWZHIWDJXBSV-QFBILLFUSA-N 0 3 361.534 1.107 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc3nncn3c2)N(C)C)cc1 ZINC000891255938 774160876 /nfs/dbraw/zinc/16/08/76/774160876.db2.gz SVOHMGVXVGJTJG-KRWDZBQOSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCN(C)C1 ZINC000892115821 781588761 /nfs/dbraw/zinc/58/87/61/781588761.db2.gz UKYPJIPCBNJRFU-MRXNPFEDSA-N 0 3 364.465 1.898 20 10 FDCDHN COC(=O)c1c(CN[C@H](C)CN2CCOCC2)c2cc(F)ccc2n1C ZINC000892580185 787438417 /nfs/dbraw/zinc/43/84/17/787438417.db2.gz FYCXKPGPCQNQHT-CYBMUJFWSA-N 0 3 363.433 1.914 20 10 FDCDHN COc1ccc(CN[C@@H]2CCN(c3cc(C)nn3C)C2=O)c(O)c1OC ZINC000893091679 792868934 /nfs/dbraw/zinc/86/89/34/792868934.db2.gz DSSPZCBDLGZKAU-CYBMUJFWSA-N 0 3 360.414 1.346 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365511886 808399814 /nfs/dbraw/zinc/39/98/14/808399814.db2.gz UYKXFDWBYDALBY-OALUTQOASA-N 0 3 356.470 1.725 20 10 FDCDHN COCCO[C@@H]1C[C@H](CO)CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894076889 809897243 /nfs/dbraw/zinc/89/72/43/809897243.db2.gz RAFNMKXUUBHRTD-DZGCQCFKSA-N 0 3 355.431 1.255 20 10 FDCDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1(F)F ZINC000894193347 810865711 /nfs/dbraw/zinc/86/57/11/810865711.db2.gz PMVLSUJWEHJHON-DOMZBBRYSA-N 0 3 358.360 1.806 20 10 FDCDHN COC(=O)c1c(CNC[C@@H](O)C2CCOCC2)c2cc(F)ccc2n1C ZINC000894268941 814792604 /nfs/dbraw/zinc/79/26/04/814792604.db2.gz NYRTVHAYHGYCRP-QGZVFWFLSA-N 0 3 364.417 1.981 20 10 FDCDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283423387 816012400 /nfs/dbraw/zinc/01/24/00/816012400.db2.gz IVVYLPMQRACQCV-UHFFFAOYSA-N 0 3 372.469 1.552 20 10 FDCDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ncnn1C ZINC000894381996 817962484 /nfs/dbraw/zinc/96/24/84/817962484.db2.gz XBEYRUSYKLLQJU-CZUORRHYSA-N 0 3 359.478 1.544 20 10 FDCDHN O=C1N=NCN1C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000894611773 818244393 /nfs/dbraw/zinc/24/43/93/818244393.db2.gz SVLPUTZSWBDBGV-UHFFFAOYSA-N 0 3 357.458 1.782 20 10 FDCDHN CCN1CC[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000894678374 818301475 /nfs/dbraw/zinc/30/14/75/818301475.db2.gz HJEWPGKJCBIQIP-IRXDYDNUSA-N 0 3 361.490 1.275 20 10 FDCDHN COc1ccc(CNCCS(=O)(=O)C2CCOCC2)c(O)c1OC ZINC000894726833 818370942 /nfs/dbraw/zinc/37/09/42/818370942.db2.gz XWTQYFNMEJEZEX-UHFFFAOYSA-N 0 3 359.444 1.093 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2nnc(C3CC3)[nH]2)N(C)C)cc1 ZINC000895117109 820498547 /nfs/dbraw/zinc/49/85/47/820498547.db2.gz ZXXXFIISLXRFSV-INIZCTEOSA-N 0 3 371.489 1.850 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@]2(O)CCOC2)N(C)C)cc1 ZINC000895555436 822649930 /nfs/dbraw/zinc/64/99/30/822649930.db2.gz MRUONRROBNVLKV-HKUYNNGSSA-N 0 3 364.490 1.196 20 10 FDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000895673065 822698135 /nfs/dbraw/zinc/69/81/35/822698135.db2.gz FDCBKAIZPRSUJH-GFCCVEGCSA-N 0 3 358.460 1.171 20 10 FDCDHN CS(=O)(=O)C1CC(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000896053579 823989105 /nfs/dbraw/zinc/98/91/05/823989105.db2.gz HZRCZDWBPXPPQS-UHFFFAOYSA-N 0 3 365.499 1.054 20 10 FDCDHN CO[C@@H]1CCOC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898074707 840751270 /nfs/dbraw/zinc/75/12/70/840751270.db2.gz VVXVWJBQNYIUFI-KZNAEPCWSA-N 0 3 364.490 1.458 20 10 FDCDHN C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)N(C)Cc1ccccc1 ZINC000842041225 840824647 /nfs/dbraw/zinc/82/46/47/840824647.db2.gz WVGXUKVKFILEKV-INIZCTEOSA-N 0 3 368.481 1.564 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H](O)C(F)F)N(C)C)cc1 ZINC000899097593 845760125 /nfs/dbraw/zinc/76/01/25/845760125.db2.gz BZNRDQSQRMMQEB-HUUCEWRRSA-N 0 3 358.433 1.671 20 10 FDCDHN C[C@@H]1CC(=O)NCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102985 845775312 /nfs/dbraw/zinc/77/53/12/845775312.db2.gz UBVSTLDFRVCLEO-RHSMWYFYSA-N 0 3 361.490 1.275 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@]2(O)CCSC2)N(C)C)cc1 ZINC000899100817 845797569 /nfs/dbraw/zinc/79/75/69/845797569.db2.gz DZOQFAKGCAYESX-SJLPKXTDSA-N 0 3 366.531 1.523 20 10 FDCDHN COC(=O)CC(C)(C)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000761199938 864323950 /nfs/dbraw/zinc/32/39/50/864323950.db2.gz UOJVJEHYHTVAJO-UHFFFAOYSA-N 0 3 363.458 1.275 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000916633027 881856608 /nfs/dbraw/zinc/85/66/08/881856608.db2.gz FLTOWHKDHJEOCZ-IPMKNSEASA-N 0 3 365.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000916633027 881856623 /nfs/dbraw/zinc/85/66/23/881856623.db2.gz FLTOWHKDHJEOCZ-IPMKNSEASA-N 0 3 365.470 1.930 20 10 FDCDHN Cc1ccc(O)c(CNCC(=O)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000922765300 879216800 /nfs/dbraw/zinc/21/68/00/879216800.db2.gz YIQMDBQBPOEGJV-UHFFFAOYSA-N 0 3 355.438 1.565 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000888295356 888192731 /nfs/dbraw/zinc/19/27/31/888192731.db2.gz IPPRKNATWKNRGI-OAHLLOKOSA-N 0 3 361.490 1.322 20 10 FDCDHN CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000732293446 919373775 /nfs/dbraw/zinc/37/37/75/919373775.db2.gz JOBYOQOYXLLXHA-ZDUSSCGKSA-N 0 3 355.460 1.368 20 10 FDCDHN CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000732293446 919373792 /nfs/dbraw/zinc/37/37/92/919373792.db2.gz JOBYOQOYXLLXHA-ZDUSSCGKSA-N 0 3 355.460 1.368 20 10 FDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000787749849 932385546 /nfs/dbraw/zinc/38/55/46/932385546.db2.gz DPJNYBXTJRUXDF-MRXNPFEDSA-N 0 3 360.502 1.702 20 10 FDCDHN CN1CCN(c2ccc(CN3CCC(CS(C)(=O)=O)CC3)cc2)CC1 ZINC000814178402 941569050 /nfs/dbraw/zinc/56/90/50/941569050.db2.gz ORGZXSNSUKAJCP-UHFFFAOYSA-N 0 3 365.543 1.695 20 10 FDCDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000817706073 942900641 /nfs/dbraw/zinc/90/06/41/942900641.db2.gz OHEFAWSEWKUSNA-SFHVURJKSA-N 0 3 358.486 1.456 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818233215 943203015 /nfs/dbraw/zinc/20/30/15/943203015.db2.gz GQKRNKROFVCJPU-JTQLQIEISA-N 0 3 357.204 1.400 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818233216 943203165 /nfs/dbraw/zinc/20/31/65/943203165.db2.gz GQKRNKROFVCJPU-SNVBAGLBSA-N 0 3 357.204 1.400 20 10 FDCDHN COC[C@@H](C)OC[C@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358690 943541329 /nfs/dbraw/zinc/54/13/29/943541329.db2.gz NZQBZFQSXAPJCH-UKRRQHHQSA-N 0 3 374.428 1.303 20 10 FDCDHN COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C1CC1 ZINC000844478513 948096461 /nfs/dbraw/zinc/09/64/61/948096461.db2.gz PCWHDCMGXHMKCZ-ZWKOTPCHSA-N 0 3 359.470 1.500 20 10 FDCDHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775700499 971550765 /nfs/dbraw/zinc/55/07/65/971550765.db2.gz PFZXGIIPOJOHPM-HZPDHXFCSA-N 0 3 353.532 1.692 20 10 FDCDHN CN(CCN1CCCCC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000846726870 951496612 /nfs/dbraw/zinc/49/66/12/951496612.db2.gz KCKOZQKPFYDEFG-UHFFFAOYSA-N 0 3 372.513 1.630 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000103854371 963482523 /nfs/dbraw/zinc/48/25/23/963482523.db2.gz KRPYPVPJCAQROE-UHFFFAOYSA-N 0 3 361.534 1.922 20 10 FDCDHN O=C([O-])CN1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001119096765 969669703 /nfs/dbraw/zinc/66/97/03/969669703.db2.gz NNPSIMYMLPQKSL-UHFFFAOYSA-N 0 3 351.422 1.301 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC000847400664 975575289 /nfs/dbraw/zinc/57/52/89/975575289.db2.gz SHSJCSJVOMIICR-QGZVFWFLSA-N 0 3 360.502 1.275 20 10 FDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)c2c1c(F)ccc2[O-] ZINC000866554137 975781506 /nfs/dbraw/zinc/78/15/06/975781506.db2.gz PRKSYZBDXZYIEV-YNKQFZHNSA-N 0 3 350.390 1.297 20 10 FDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849572197 977771852 /nfs/dbraw/zinc/77/18/52/977771852.db2.gz LKXFQSKNAMLLRL-XOKHGSTOSA-N 0 3 372.469 1.614 20 10 FDCDHN CN(C)c1cc(F)c(CN[C@@H]2CCN(CCN3CCOCC3)C2)cc1F ZINC000858139172 981856557 /nfs/dbraw/zinc/85/65/57/981856557.db2.gz QCEBBIGHCMCDCJ-MRXNPFEDSA-N 0 3 368.472 1.527 20 10 FDCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873130638 988594172 /nfs/dbraw/zinc/59/41/72/988594172.db2.gz FJENQKSXQHBSLS-INIZCTEOSA-N 0 3 366.487 1.357 20 10 FDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCN1CCN(c3ncccn3)CC1)CC2 ZINC000295955036 988853052 /nfs/dbraw/zinc/85/30/52/988853052.db2.gz LUQCQGDUEZJZCM-QGZVFWFLSA-N 0 3 353.470 1.971 20 10 FDCDHN CCCOc1ccc(CN2CCO[C@@H](CN3CCN(C)CC3)C2)c(O)c1 ZINC000369444987 989051668 /nfs/dbraw/zinc/05/16/68/989051668.db2.gz VIULMGFLPMPPPG-IBGZPJMESA-N 0 3 363.502 1.629 20 10 FDCDHN COC[C@@]1(C)CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000296975886 989454954 /nfs/dbraw/zinc/45/49/54/989454954.db2.gz YWNGNXNXVNCTAB-FQEVSTJZSA-N 0 3 361.486 1.702 20 10 FDCDHN COc1c([O-])c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000364760363 989775361 /nfs/dbraw/zinc/77/53/61/989775361.db2.gz PTVXLBMAGCMAAX-IJEWVQPXSA-N 0 3 365.430 1.993 20 10 FDCDHN CCNC(=O)NC(=O)[C@@H](C)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000370865297 990059270 /nfs/dbraw/zinc/05/92/70/990059270.db2.gz QCTOFPILYSUUAD-CQSZACIVSA-N 0 3 362.474 1.830 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000825728323 990224292 /nfs/dbraw/zinc/22/42/92/990224292.db2.gz TYCARMFJWYVSBC-LVCYWYKZSA-N 0 3 373.497 1.876 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)cc1 ZINC000875005993 990717128 /nfs/dbraw/zinc/71/71/28/990717128.db2.gz DCJBTLCNUAJTEZ-LJQANCHMSA-N 0 3 372.513 1.892 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3nnc[nH]3)cc2F)CC1 ZINC000374744679 992934463 /nfs/dbraw/zinc/93/44/63/992934463.db2.gz SUOZQWKQSSXELC-GJZGRUSLSA-N 0 3 372.448 1.506 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3nc[nH]n3)cc2F)CC1 ZINC000374744679 992934471 /nfs/dbraw/zinc/93/44/71/992934471.db2.gz SUOZQWKQSSXELC-GJZGRUSLSA-N 0 3 372.448 1.506 20 10 FDCDHN CS(=O)(=O)N1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876974759 992991971 /nfs/dbraw/zinc/99/19/71/992991971.db2.gz RWCMBMUFCCLBBZ-MRXNPFEDSA-N 0 3 367.515 1.161 20 10 FDCDHN CC(C)(C)NS(=O)(=O)CCNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876981369 992994954 /nfs/dbraw/zinc/99/49/54/992994954.db2.gz BAQLYNPGPHJQEY-UHFFFAOYSA-N 0 3 369.531 1.455 20 10 FDCDHN COC(=O)CNC(=O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000877705940 993457893 /nfs/dbraw/zinc/45/78/93/993457893.db2.gz AZAXGRLFWJFWNG-UHFFFAOYSA-N 0 3 361.467 1.763 20 10 FDCDHN CCCCN(C(=O)C[NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879647838 995134935 /nfs/dbraw/zinc/13/49/35/995134935.db2.gz NFHGXJUTOLRWFH-CABCVRRESA-N 0 3 368.499 1.859 20 10 FDCDHN CCCCN(C(=O)CN[C@H](C)c1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000879647838 995134945 /nfs/dbraw/zinc/13/49/45/995134945.db2.gz NFHGXJUTOLRWFH-CABCVRRESA-N 0 3 368.499 1.859 20 10 FDCDHN C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1[O-] ZINC000879652331 995137566 /nfs/dbraw/zinc/13/75/66/995137566.db2.gz CHMAFSYJAQMRPP-AWEZNQCLSA-N 0 3 357.410 1.620 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)[C@H](C)C(=O)OCC)cc2=O ZINC000273987538 999735611 /nfs/dbraw/zinc/73/56/11/999735611.db2.gz JGQUKEWEAKQVSR-WDEREUQCSA-N 0 3 364.402 1.289 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000283063809 999739460 /nfs/dbraw/zinc/73/94/60/999739460.db2.gz FBYUWEUGEKDZRZ-MJGOQNOKSA-N 0 3 372.513 1.844 20 10 FDCDHN C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1=CCN(C)CC1 ZINC000284044358 999775672 /nfs/dbraw/zinc/77/56/72/999775672.db2.gz LWJZWUBGQHIUET-INIZCTEOSA-N 0 3 370.497 1.670 20 10 FDCDHN CN1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000285348502 999910601 /nfs/dbraw/zinc/91/06/01/999910601.db2.gz UFCSLSFSDOKOGX-YSDNAHFUSA-N 0 3 371.481 1.468 20 10 FDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285720122 999920221 /nfs/dbraw/zinc/92/02/21/999920221.db2.gz NDYQAFVLQHBQFS-UHFFFAOYSA-N 0 3 360.502 1.484 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C[C@]1(O)CCOC1)C[C@@H]1CCCO1 ZINC000929971232 1002678104 /nfs/dbraw/zinc/67/81/04/1002678104.db2.gz NWBMYVFSUPKDCP-ZIFCJYIRSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)C[C@@H]1CCCO1 ZINC000929971232 1002678110 /nfs/dbraw/zinc/67/81/10/1002678110.db2.gz NWBMYVFSUPKDCP-ZIFCJYIRSA-N 0 3 351.443 1.276 20 10 FDCDHN C[C@H](NCC(=O)N1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000930212147 1002932363 /nfs/dbraw/zinc/93/23/63/1002932363.db2.gz YMVFRHYLZLMQGV-INIZCTEOSA-N 0 3 361.486 1.811 20 10 FDCDHN COc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)c(O)c1 ZINC000795357032 1006303760 /nfs/dbraw/zinc/30/37/60/1006303760.db2.gz KJVCHZPBWZVZOH-UHFFFAOYSA-N 0 3 350.440 1.941 20 10 FDCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1[O-] ZINC000779019475 1007147044 /nfs/dbraw/zinc/14/70/44/1007147044.db2.gz XQUOTSAUDOSBKR-GFCCVEGCSA-N 0 3 370.291 1.888 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069803910 521958247 /nfs/dbraw/zinc/95/82/47/521958247.db2.gz XHTCJWLRGJWZGG-IBGZPJMESA-N 0 3 374.529 1.413 20 10 FDCDHN COCCCNC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000055034678 523738053 /nfs/dbraw/zinc/73/80/53/523738053.db2.gz NZEPAARETXYFMW-UHFFFAOYSA-N 0 3 350.415 1.486 20 10 FDCDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc(O)c(O)c1 ZINC000158918462 524554196 /nfs/dbraw/zinc/55/41/96/524554196.db2.gz GKUFBSOJUMZUSW-UHFFFAOYSA-N 0 3 355.438 1.926 20 10 FDCDHN C[C@H](NCCOCCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000090103562 524583127 /nfs/dbraw/zinc/58/31/27/524583127.db2.gz OJDDAOGGZMJBKZ-AWEZNQCLSA-N 0 3 374.478 1.374 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCN(C3CCOCC3)CC2)cc1 ZINC000177754068 525343406 /nfs/dbraw/zinc/34/34/06/525343406.db2.gz RGWWPTXAROKURB-UHFFFAOYSA-N 0 3 360.502 1.165 20 10 FDCDHN Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180790101 525754660 /nfs/dbraw/zinc/75/46/60/525754660.db2.gz USRMGRQWAOXVOH-UHFFFAOYSA-N 0 3 368.434 1.208 20 10 FDCDHN CN(C)CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000133467199 526063218 /nfs/dbraw/zinc/06/32/18/526063218.db2.gz KNQVCKHYXCFUOB-UHFFFAOYSA-N 0 3 374.407 1.903 20 10 FDCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000186064185 536224682 /nfs/dbraw/zinc/22/46/82/536224682.db2.gz VYTZOTFMQXDDGO-DZGCQCFKSA-N 0 3 351.422 1.115 20 10 FDCDHN C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000186064218 536224767 /nfs/dbraw/zinc/22/47/67/536224767.db2.gz VYTZOTFMQXDDGO-ZFWWWQNUSA-N 0 3 351.422 1.115 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000266613469 536910457 /nfs/dbraw/zinc/91/04/57/536910457.db2.gz PXQHSQOGHNJEHA-CYBMUJFWSA-N 0 3 367.471 1.322 20 10 FDCDHN COc1cccc(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)c1O ZINC000265531419 537153653 /nfs/dbraw/zinc/15/36/53/537153653.db2.gz IHNYNYGQIUYXGK-UHFFFAOYSA-N 0 3 357.410 1.717 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000298895851 537360938 /nfs/dbraw/zinc/36/09/38/537360938.db2.gz BDVBAXZERGFEQF-LJQANCHMSA-N 0 3 372.513 1.798 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCN(CC)CC1 ZINC000283264730 537362686 /nfs/dbraw/zinc/36/26/86/537362686.db2.gz BZLPVSFPBLMGLI-UHFFFAOYSA-N 0 3 360.502 1.702 20 10 FDCDHN C[NH+](C)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000277110802 537604087 /nfs/dbraw/zinc/60/40/87/537604087.db2.gz DHDQFGQAHOMLKP-ZDUSSCGKSA-N 0 3 355.460 1.320 20 10 FDCDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1Cc2cc(F)ccc2O1 ZINC000237722765 537638163 /nfs/dbraw/zinc/63/81/63/537638163.db2.gz MRMIMBHNMWLVNX-LJQANCHMSA-N 0 3 373.403 1.994 20 10 FDCDHN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@H]1N1CCN(C)CC1 ZINC000368037350 537973018 /nfs/dbraw/zinc/97/30/18/537973018.db2.gz JHRNJYRNOYSVCJ-JPQUEUOBSA-N 0 3 359.470 1.595 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000573354211 550119381 /nfs/dbraw/zinc/11/93/81/550119381.db2.gz LHBBLPXKVPDBBQ-OAHLLOKOSA-N 0 3 368.481 1.870 20 10 FDCDHN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000288535833 676019228 /nfs/dbraw/zinc/01/92/28/676019228.db2.gz UUIWEOSMNSGUCO-GXTWGEPZSA-N 0 3 367.471 1.463 20 10 FDCDHN CCS(=O)(=O)NCCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280013049 675374227 /nfs/dbraw/zinc/37/42/27/675374227.db2.gz SNPRRKPTEMXXSK-UHFFFAOYSA-N 0 3 353.410 1.800 20 10 FDCDHN O=S(=O)(CCNCc1cc2c(cc1O)OCO2)CCc1ccccc1 ZINC000281847207 675568406 /nfs/dbraw/zinc/56/84/06/675568406.db2.gz BBMVGFNRPLNULY-UHFFFAOYSA-N 0 3 363.435 1.868 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnc3[nH]c(=O)[nH]c32)N(C)C)cc1 ZINC000891246489 774088491 /nfs/dbraw/zinc/08/84/91/774088491.db2.gz OJFLIZQCXWCAJQ-HNNXBMFYSA-N 0 3 368.441 1.762 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccsc2)N(C)C)cc1 ZINC000891247155 774092026 /nfs/dbraw/zinc/09/20/26/774092026.db2.gz GBGYDYJNLAKWBS-QGZVFWFLSA-N 0 3 374.510 1.963 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc3ncnn32)N(C)C)cc1 ZINC000891247488 774094029 /nfs/dbraw/zinc/09/40/29/774094029.db2.gz HQJSDXVUFUNRDF-QGZVFWFLSA-N 0 3 352.442 1.828 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891248019 774099946 /nfs/dbraw/zinc/09/99/46/774099946.db2.gz JYHGDASNJOTMRN-OAHLLOKOSA-N 0 3 360.414 1.560 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)COCc2nccn2C)N(C)C)cc1 ZINC000891249218 774104900 /nfs/dbraw/zinc/10/49/00/774104900.db2.gz PKJGBHNOTUSSGS-QGZVFWFLSA-N 0 3 359.474 1.422 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)N(C)C)cc1 ZINC000891249686 774110030 /nfs/dbraw/zinc/11/00/30/774110030.db2.gz RXLSOPBBFBRRBW-INIZCTEOSA-N 0 3 368.441 1.762 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(N3CCOCC3)CCC2)N(C)C)cc1 ZINC000891248828 774112069 /nfs/dbraw/zinc/11/20/69/774112069.db2.gz OGQLSAKZZXJFKF-IBGZPJMESA-N 0 3 374.529 1.726 20 10 FDCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)N1CCSCC1 ZINC000891251993 774124125 /nfs/dbraw/zinc/12/41/25/774124125.db2.gz JFZWSGICUAWDGM-QAPCUYQASA-N 0 3 364.559 1.909 20 10 FDCDHN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254976 774152034 /nfs/dbraw/zinc/15/20/34/774152034.db2.gz LNMKAQQXAHQNKQ-DLBZAZTESA-N 0 3 364.515 1.393 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCn2ccccc2=O)N(C)C)cc1 ZINC000891256308 774163155 /nfs/dbraw/zinc/16/31/55/774163155.db2.gz XHHXYIRHCLFVIL-GOSISDBHSA-N 0 3 356.470 1.724 20 10 FDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000186140268 794880156 /nfs/dbraw/zinc/88/01/56/794880156.db2.gz OJNUZABWMVBIOB-KRWDZBQOSA-N 0 3 373.545 1.894 20 10 FDCDHN COC(=O)c1c(CN[C@@H](C)[C@@H]2CN(C)CCO2)c2cc(F)ccc2n1C ZINC000894346725 817430132 /nfs/dbraw/zinc/43/01/32/817430132.db2.gz WVAPSYIAWULSQB-SJCJKPOMSA-N 0 3 363.433 1.913 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NOC[C@@H]2CCOC2)N(C)C)cc1 ZINC000894372514 817832754 /nfs/dbraw/zinc/83/27/54/817832754.db2.gz KIUWCJVVMXCBGG-RHSMWYFYSA-N 0 3 350.463 1.623 20 10 FDCDHN NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895552722 822648931 /nfs/dbraw/zinc/64/89/31/822648931.db2.gz RDLGAAHOJOLIBI-UHFFFAOYSA-N 0 3 353.413 1.976 20 10 FDCDHN NC(=O)C1(N2CCCCC2)CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895552722 822648934 /nfs/dbraw/zinc/64/89/34/822648934.db2.gz RDLGAAHOJOLIBI-UHFFFAOYSA-N 0 3 353.413 1.976 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@]2(O)CCOC2)N(C)C)cc1 ZINC000895555437 822649975 /nfs/dbraw/zinc/64/99/75/822649975.db2.gz MRUONRROBNVLKV-IEBWSBKVSA-N 0 3 364.490 1.196 20 10 FDCDHN O=S(=O)(CCNCc1ccc(N2CCOCC2)cc1)N1CCCC1 ZINC000897832716 840475353 /nfs/dbraw/zinc/47/53/53/840475353.db2.gz WZRWYMXQSDPGCS-UHFFFAOYSA-N 0 3 353.488 1.038 20 10 FDCDHN CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+]Cc3ccccc3[O-])CC2=O)C1 ZINC000898533038 844831649 /nfs/dbraw/zinc/83/16/49/844831649.db2.gz UZIJHXSDJFNMDW-CQSZACIVSA-N 0 3 361.442 1.702 20 10 FDCDHN CC[C@H](C)[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(N)=O ZINC000899097480 845760294 /nfs/dbraw/zinc/76/02/94/845760294.db2.gz BAHCTTVAQVIZTE-XKQJLSEDSA-N 0 3 363.506 1.555 20 10 FDCDHN COCCN(CCF)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098420 845791294 /nfs/dbraw/zinc/79/12/94/845791294.db2.gz NSNQQINRHQKFBR-KRWDZBQOSA-N 0 3 354.470 1.983 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)c2ccco2)N(C)C)cc1 ZINC000899100826 845798609 /nfs/dbraw/zinc/79/86/09/845798609.db2.gz FAMNCOFFGRPTTR-SJORKVTESA-N 0 3 360.458 1.981 20 10 FDCDHN COc1cc(CNCc2ccc(N(C)C)cc2)cc(OC)c1OCC(N)=O ZINC000028312582 857698183 /nfs/dbraw/zinc/69/81/83/857698183.db2.gz NUMVUJOULXFBNA-UHFFFAOYSA-N 0 3 373.453 1.924 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)c3ccnn3CCN(C)C)C2)cc1 ZINC000912291875 859565586 /nfs/dbraw/zinc/56/55/86/859565586.db2.gz FGVVOMZYIPZUDE-HNNXBMFYSA-N 0 3 357.458 1.462 20 10 FDCDHN COC[C@H](C)NC(=O)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075028 882914347 /nfs/dbraw/zinc/91/43/47/882914347.db2.gz OWMPVFMIAUAPNS-HNNXBMFYSA-N 0 3 364.490 1.824 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3cc(OC)c(C)cc3O)C2)nn1 ZINC000762463982 875966443 /nfs/dbraw/zinc/96/64/43/875966443.db2.gz OOHMGWFNPJDUOW-CQSZACIVSA-N 0 3 360.414 1.924 20 10 FDCDHN CO[C@@]1(CNCc2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000922616172 878792847 /nfs/dbraw/zinc/79/28/47/878792847.db2.gz TXCSMUXHRVYQHY-GOSISDBHSA-N 0 3 352.500 1.970 20 10 FDCDHN CS(=O)(=O)C[C@@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000922825085 879385175 /nfs/dbraw/zinc/38/51/75/879385175.db2.gz ZBWPNLYIKQANKH-IBGZPJMESA-N 0 3 374.506 1.744 20 10 FDCDHN C[C@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787668906 932363325 /nfs/dbraw/zinc/36/33/25/932363325.db2.gz IJSVSHDQNUFASD-HOTGVXAUSA-N 0 3 360.502 1.778 20 10 FDCDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789763990 933168734 /nfs/dbraw/zinc/16/87/34/933168734.db2.gz SMLNSAXUUBSBKJ-INIZCTEOSA-N 0 3 351.466 1.815 20 10 FDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000804425142 938429258 /nfs/dbraw/zinc/42/92/58/938429258.db2.gz SMYLQJMVPZAOBI-YJBOKZPZSA-N 0 3 360.502 1.920 20 10 FDCDHN CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807292073 940309684 /nfs/dbraw/zinc/30/96/84/940309684.db2.gz LGCSIABEFMYDPL-UHFFFAOYSA-N 0 3 356.470 1.233 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000810162456 940962929 /nfs/dbraw/zinc/96/29/29/940962929.db2.gz ISINWJZIXZQECD-UHFFFAOYSA-N 0 3 371.235 1.427 20 10 FDCDHN CN(C)S(=O)(=O)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000811790417 941166195 /nfs/dbraw/zinc/16/61/95/941166195.db2.gz KUVUHYQEWVDCDN-UHFFFAOYSA-N 0 3 367.515 1.585 20 10 FDCDHN C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000747815434 941267778 /nfs/dbraw/zinc/26/77/78/941267778.db2.gz HWAXTFGRBVWMFB-UZLBHIALSA-N 0 3 373.497 1.954 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C[C@H](CO)C3)CC2)cc1 ZINC000817277417 942677689 /nfs/dbraw/zinc/67/76/89/942677689.db2.gz HWNCGAJEJHKSRV-IRXDYDNUSA-N 0 3 361.486 1.294 20 10 FDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CN4CCN3CCC4)C2)cc1 ZINC000819585503 943635309 /nfs/dbraw/zinc/63/53/09/943635309.db2.gz FWOPJJFBNOYWMW-VQIMIIECSA-N 0 3 358.486 1.028 20 10 FDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC001136340106 944047358 /nfs/dbraw/zinc/04/73/58/944047358.db2.gz DUMSTSJOBYOLGV-KRWDZBQOSA-N 0 3 372.513 1.879 20 10 FDCDHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000824083743 946211612 /nfs/dbraw/zinc/21/16/12/946211612.db2.gz BXBGTPHZNDVFCC-KBPBESRZSA-N 0 3 355.460 1.222 20 10 FDCDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1[nH]nc2c1CNCC2 ZINC000844174306 947817722 /nfs/dbraw/zinc/81/77/22/947817722.db2.gz VEBYUTFWLMQITD-UHFFFAOYSA-N 0 3 369.469 1.194 20 10 FDCDHN COc1ccc(N(C)CCN(C)CCn2nc3ccccn3c2=O)cc1 ZINC000844399829 948029290 /nfs/dbraw/zinc/02/92/90/948029290.db2.gz PKCIQFABDDVIJX-UHFFFAOYSA-N 0 3 355.442 1.573 20 10 FDCDHN CC(C)NC(=O)[C@@H]1Cn2nccc2CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144510302 949790327 /nfs/dbraw/zinc/79/03/27/949790327.db2.gz WWUCIINGFSCMLD-LBPRGKRZSA-N 0 3 360.414 1.157 20 10 FDCDHN COCCOc1ccc(N2CCN([C@H]3CCN(C4CC4)C(=O)C3)CC2)cc1 ZINC001172019882 961407196 /nfs/dbraw/zinc/40/71/96/961407196.db2.gz TYDNENXWMWESDR-IBGZPJMESA-N 0 3 373.497 1.987 20 10 FDCDHN COc1c([O-])c(C[NH2+]CC(C)(C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000774960611 964245233 /nfs/dbraw/zinc/24/52/33/964245233.db2.gz CQAJNLXEZREJJW-UHFFFAOYSA-N 0 3 352.435 1.425 20 10 FDCDHN CCN(CC(=O)NC(C)C)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775369692 967684066 /nfs/dbraw/zinc/68/40/66/967684066.db2.gz FMGIWUDQSPALHI-ZDUSSCGKSA-N 0 3 351.447 1.425 20 10 FDCDHN COC(=O)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1)C(C)C ZINC001190264743 967702535 /nfs/dbraw/zinc/70/25/35/967702535.db2.gz HBMSDKXUMVPJCR-KRWDZBQOSA-N 0 3 363.458 1.853 20 10 FDCDHN CNC(=O)[C@@H](NC(=O)CN[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775376324 967766656 /nfs/dbraw/zinc/76/66/56/967766656.db2.gz STEJWYIMKQELQY-DJJJIMSYSA-N 0 3 371.437 1.655 20 10 FDCDHN C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC000854738890 969933984 /nfs/dbraw/zinc/93/39/84/969933984.db2.gz QFXBFNQCQHHWIP-KRWDZBQOSA-N 0 3 367.471 1.322 20 10 FDCDHN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC000854738890 969933988 /nfs/dbraw/zinc/93/39/88/969933988.db2.gz QFXBFNQCQHHWIP-KRWDZBQOSA-N 0 3 367.471 1.322 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000863031985 972620700 /nfs/dbraw/zinc/62/07/00/972620700.db2.gz DCDOVRKUGFWGOY-AWEZNQCLSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000863031985 972620706 /nfs/dbraw/zinc/62/07/06/972620706.db2.gz DCDOVRKUGFWGOY-AWEZNQCLSA-N 0 3 367.471 1.510 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cccnc3C)CC2)cc1 ZINC000863578858 973030314 /nfs/dbraw/zinc/03/03/14/973030314.db2.gz YBEYQRXGSSJRKB-HXUWFJFHSA-N 0 3 370.497 1.671 20 10 FDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1[O-] ZINC000866709967 975940836 /nfs/dbraw/zinc/94/08/36/975940836.db2.gz UTAPRDYGPDXIEV-BMFZPTHFSA-N 0 3 363.389 1.101 20 10 FDCDHN CCc1cccc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000848900085 977229059 /nfs/dbraw/zinc/22/90/59/977229059.db2.gz AWOFRGCMTFGYRX-KRWDZBQOSA-N 0 3 368.499 1.581 20 10 FDCDHN CN1CCN(c2ccc(CNCc3cc4c(cn3)OCCO4)cc2)CC1 ZINC000883283793 982044973 /nfs/dbraw/zinc/04/49/73/982044973.db2.gz TWFAPJBDUUWCKF-UHFFFAOYSA-N 0 3 354.454 1.894 20 10 FDCDHN O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(=O)[n-]cn1 ZINC000860535033 983434751 /nfs/dbraw/zinc/43/47/51/983434751.db2.gz YOJAASDZUQXEAG-UHFFFAOYSA-N 0 3 367.453 1.644 20 10 FDCDHN CC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(=O)N1CCOCC1 ZINC000873072776 988508287 /nfs/dbraw/zinc/50/82/87/988508287.db2.gz AGBQPMWPTPPRHQ-SFHVURJKSA-N 0 3 372.469 1.667 20 10 FDCDHN CN1CCCc2cc(CNC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)ccc21 ZINC000369031792 989021583 /nfs/dbraw/zinc/02/15/83/989021583.db2.gz XIQIFLLVNHQDCO-ZWKOTPCHSA-N 0 3 358.486 1.731 20 10 FDCDHN CN(C)CCn1nccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000296796546 989417008 /nfs/dbraw/zinc/41/70/08/989417008.db2.gz FVPAHQKXMKCSQD-UHFFFAOYSA-N 0 3 358.446 1.942 20 10 FDCDHN CCCOc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c([O-])c1 ZINC000371332960 990363611 /nfs/dbraw/zinc/36/36/11/990363611.db2.gz SEUDFPAHLPJPJT-LJQANCHMSA-N 0 3 361.442 1.991 20 10 FDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)cc1F ZINC000876739375 992856530 /nfs/dbraw/zinc/85/65/30/992856530.db2.gz DUEUCMXNSQEITA-SFHVURJKSA-N 0 3 358.461 1.967 20 10 FDCDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCOCC1 ZINC000877075415 993039131 /nfs/dbraw/zinc/03/91/31/993039131.db2.gz BJGUQWPNGOAJIW-IBGZPJMESA-N 0 3 361.486 1.375 20 10 FDCDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877370123 993254836 /nfs/dbraw/zinc/25/48/36/993254836.db2.gz QVDJPFXACDXUDK-HXUWFJFHSA-N 0 3 364.486 1.830 20 10 FDCDHN Cc1ccc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000877561045 993342556 /nfs/dbraw/zinc/34/25/56/993342556.db2.gz GUHIQYBFSOJQIM-UHFFFAOYSA-N 0 3 363.483 1.916 20 10 FDCDHN Cc1ccc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000877561045 993342566 /nfs/dbraw/zinc/34/25/66/993342566.db2.gz GUHIQYBFSOJQIM-UHFFFAOYSA-N 0 3 363.483 1.916 20 10 FDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000879648569 995135267 /nfs/dbraw/zinc/13/52/67/995135267.db2.gz UJJDKZUJGFPTJH-HUUCEWRRSA-N 0 3 355.442 1.570 20 10 FDCDHN CCCCN(C(=O)C[NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879653295 995137194 /nfs/dbraw/zinc/13/71/94/995137194.db2.gz NFHGXJUTOLRWFH-GJZGRUSLSA-N 0 3 368.499 1.859 20 10 FDCDHN CCCCN(C(=O)CN[C@@H](C)c1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000879653295 995137203 /nfs/dbraw/zinc/13/72/03/995137203.db2.gz NFHGXJUTOLRWFH-GJZGRUSLSA-N 0 3 368.499 1.859 20 10 FDCDHN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000777558820 995523443 /nfs/dbraw/zinc/52/34/43/995523443.db2.gz UPTDHTWVPXLUQP-YLJYHZDGSA-N 0 3 352.390 1.914 20 10 FDCDHN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000777558820 995523458 /nfs/dbraw/zinc/52/34/58/995523458.db2.gz UPTDHTWVPXLUQP-YLJYHZDGSA-N 0 3 352.390 1.914 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c1 ZINC000926962544 996373999 /nfs/dbraw/zinc/37/39/99/996373999.db2.gz BNYVAWMLMUPJPH-CQSZACIVSA-N 0 3 371.437 1.484 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC1CCOCC1)C[C@@H]1CCCO1 ZINC000268012870 999412878 /nfs/dbraw/zinc/41/28/78/999412878.db2.gz RRGNBBGAJOXYKH-HKUYNNGSSA-N 0 3 365.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC1CCOCC1)C[C@@H]1CCCO1 ZINC000268012870 999412881 /nfs/dbraw/zinc/41/28/81/999412881.db2.gz RRGNBBGAJOXYKH-HKUYNNGSSA-N 0 3 365.470 1.930 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CNCCO3)cc2F)C[C@@H](C)O1 ZINC000269252771 999466122 /nfs/dbraw/zinc/46/61/22/999466122.db2.gz QLYHKIMUIOXKEC-FMKPAKJESA-N 0 3 365.449 1.434 20 10 FDCDHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000271128626 999665185 /nfs/dbraw/zinc/66/51/85/999665185.db2.gz MNIDJLUCXCEUKK-IBGZPJMESA-N 0 3 360.502 1.639 20 10 FDCDHN C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000289266593 1000086057 /nfs/dbraw/zinc/08/60/57/1000086057.db2.gz GAELIWUKZIKLNG-HNNXBMFYSA-N 0 3 358.486 1.478 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929185018 1001796745 /nfs/dbraw/zinc/79/67/45/1001796745.db2.gz KYUISQCRQQYWGO-IBGZPJMESA-N 0 3 369.469 1.534 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN(C)Cc3ccco3)CC2)cc1 ZINC000779214688 1002712448 /nfs/dbraw/zinc/71/24/48/1002712448.db2.gz DPBGEPGYFFOELP-GOSISDBHSA-N 0 3 359.470 1.903 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)N(C)C)cc1 ZINC000930929097 1003672164 /nfs/dbraw/zinc/67/21/64/1003672164.db2.gz WYBSUYTUJJINSB-MTNOOBJLSA-N 0 3 372.513 1.776 20 10 FDCDHN NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000778996368 1007118457 /nfs/dbraw/zinc/11/84/57/1007118457.db2.gz MMDPHJBGUYAXNA-UHFFFAOYSA-N 0 3 363.433 1.467 20 10 FDCDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779511593 1009663678 /nfs/dbraw/zinc/66/36/78/1009663678.db2.gz RYHBVJBXEOIZMS-ZDTYVGOBSA-N 0 3 359.426 1.052 20 10 FDCDHN CN(C)c1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000085324988 1012101760 /nfs/dbraw/zinc/10/17/60/1012101760.db2.gz SYDVRWHVTXJWMX-SJLPKXTDSA-N 0 3 363.389 1.984 20 10 FDCDHN COCCN(C)CCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065549035 522838125 /nfs/dbraw/zinc/83/81/25/522838125.db2.gz NJCHILUYXBIRMK-UHFFFAOYSA-N 0 3 364.490 1.291 20 10 FDCDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000271662384 674366745 /nfs/dbraw/zinc/36/67/45/674366745.db2.gz DNZTXZDFVNDEIU-ROUUACIJSA-N 0 3 352.500 1.969 20 10 FDCDHN CCN(CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000101984356 525266930 /nfs/dbraw/zinc/26/69/30/525266930.db2.gz HLXVBPQVNHSNCV-UHFFFAOYSA-N 0 3 364.465 1.946 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H](N)CCSC)cc2F)CC1 ZINC000178882683 525497526 /nfs/dbraw/zinc/49/75/26/525497526.db2.gz MFIGEXCWCJSABT-INIZCTEOSA-N 0 3 368.522 1.664 20 10 FDCDHN O=C(C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)N1CCOCC1 ZINC000179689650 525616982 /nfs/dbraw/zinc/61/69/82/525616982.db2.gz UZIYTQVMSGKYSA-UHFFFAOYSA-N 0 3 373.497 1.594 20 10 FDCDHN COc1ccc([O-])c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000180073969 525658265 /nfs/dbraw/zinc/65/82/65/525658265.db2.gz BELYVDRCLJSMJS-UHFFFAOYSA-N 0 3 361.486 1.777 20 10 FDCDHN COc1ccc(O)c(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000180073969 525658275 /nfs/dbraw/zinc/65/82/75/525658275.db2.gz BELYVDRCLJSMJS-UHFFFAOYSA-N 0 3 361.486 1.777 20 10 FDCDHN O=S1(=O)CCC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000182572086 535826574 /nfs/dbraw/zinc/82/65/74/535826574.db2.gz LECBZTOWZILEKZ-KRWDZBQOSA-N 0 3 352.500 1.562 20 10 FDCDHN CCc1nnc(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000190688512 537183650 /nfs/dbraw/zinc/18/36/50/537183650.db2.gz IHLSXAGNJCGHBT-UHFFFAOYSA-N 0 3 370.501 1.929 20 10 FDCDHN CC[NH+](CC)CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271297703 537420684 /nfs/dbraw/zinc/42/06/84/537420684.db2.gz QHZGPCMHCFTMBB-UHFFFAOYSA-N 0 3 357.476 1.616 20 10 FDCDHN COc1ccc(O)c(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273526056 537457739 /nfs/dbraw/zinc/45/77/39/537457739.db2.gz UGIIPJGLJDCIPR-UHFFFAOYSA-N 0 3 366.395 1.873 20 10 FDCDHN CCOc1cccc(CN2CCN(C[C@H]3CN(CC)CCO3)CC2)c1O ZINC000371378636 537827127 /nfs/dbraw/zinc/82/71/27/537827127.db2.gz JSAICGIFAOKGAD-GOSISDBHSA-N 0 3 363.502 1.629 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@@]3(CNC(=O)C3)C2)c1O ZINC000375916672 678196160 /nfs/dbraw/zinc/19/61/60/678196160.db2.gz NPSNNDIGYDPVMF-OAHLLOKOSA-N 0 3 355.232 1.875 20 10 FDCDHN COc1ccc(N2CCC[N@H+](CCCOC([O-])=NC(N)=O)CC2)cc1 ZINC000378278535 678733947 /nfs/dbraw/zinc/73/39/47/678733947.db2.gz YNNCIQVOILASMJ-UHFFFAOYSA-N 0 3 350.419 1.402 20 10 FDCDHN COc1ccc(N2CCC[N@@H+](CCCOC([O-])=NC(N)=O)CC2)cc1 ZINC000378278535 678733950 /nfs/dbraw/zinc/73/39/50/678733950.db2.gz YNNCIQVOILASMJ-UHFFFAOYSA-N 0 3 350.419 1.402 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3[nH]c(=O)[nH]c32)N(C)C)cc1 ZINC000891246492 774088935 /nfs/dbraw/zinc/08/89/35/774088935.db2.gz OJFLIZQCXWCAJQ-OAHLLOKOSA-N 0 3 368.441 1.762 20 10 FDCDHN CCO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCOC1 ZINC000891247282 774093359 /nfs/dbraw/zinc/09/33/59/774093359.db2.gz SOTGCNQMVBEPHU-QRQLOZEOSA-N 0 3 363.502 1.913 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc3c(c2)nnn3C)N(C)C)cc1 ZINC000891248725 774110894 /nfs/dbraw/zinc/11/08/94/774110894.db2.gz NMGMWAOXTCBYPO-QGZVFWFLSA-N 0 3 367.457 1.462 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC(=O)NCC(F)(F)F)N(C)C)cc1 ZINC000891248678 774111190 /nfs/dbraw/zinc/11/11/90/774111190.db2.gz MQSZMLCXBAEOQO-CQSZACIVSA-N 0 3 374.407 1.540 20 10 FDCDHN CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891251094 774128771 /nfs/dbraw/zinc/12/87/71/774128771.db2.gz DRZUYRSMTZHHKV-AEFFLSMTSA-N 0 3 360.502 1.730 20 10 FDCDHN Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252741 774136922 /nfs/dbraw/zinc/13/69/22/774136922.db2.gz NIPOXBZWTZANNB-SFHVURJKSA-N 0 3 373.501 1.901 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000891256010 774160825 /nfs/dbraw/zinc/16/08/25/774160825.db2.gz VLZOMIRWKHKOOX-CRAIPNDOSA-N 0 3 358.486 1.482 20 10 FDCDHN CS[C@H](CO)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893118765 793076028 /nfs/dbraw/zinc/07/60/28/793076028.db2.gz KEGTZXBTPIRQDY-KBRIMQKVSA-N 0 3 368.547 1.767 20 10 FDCDHN CS(=O)(=O)C1CC(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000893329510 795451983 /nfs/dbraw/zinc/45/19/83/795451983.db2.gz RWXRQFQNKYLJFE-UQPPLGOBSA-N 0 3 365.499 1.054 20 10 FDCDHN COC(=O)c1c(CNC[C@H](O)c2cnn(C)c2)c2cc(F)ccc2n1C ZINC000894315598 816544551 /nfs/dbraw/zinc/54/45/51/816544551.db2.gz LHJHHLYLYKRKSS-INIZCTEOSA-N 0 3 360.389 1.661 20 10 FDCDHN COC(=O)c1c(CNC[C@@]2(OC)CCOC2)c2cc(F)ccc2n1C ZINC000894472047 818103290 /nfs/dbraw/zinc/10/32/90/818103290.db2.gz VWLFBTYOKQGCON-SFHVURJKSA-N 0 3 350.390 1.999 20 10 FDCDHN COc1cc(C)cc(CN2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000840169758 822569576 /nfs/dbraw/zinc/56/95/76/822569576.db2.gz DGMHZLBGRZCQCI-UHFFFAOYSA-N 0 3 354.472 1.709 20 10 FDCDHN O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000895771971 822736379 /nfs/dbraw/zinc/73/63/79/822736379.db2.gz AVAYVOMARGGPDE-KRWDZBQOSA-N 0 3 363.433 1.047 20 10 FDCDHN Cc1cncc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000895826475 822754296 /nfs/dbraw/zinc/75/42/96/822754296.db2.gz WFKSILDGHJWNCC-IBGZPJMESA-N 0 3 370.501 1.996 20 10 FDCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@H](CO)NC(=O)CN)n2)cc1 ZINC001211956380 835131889 /nfs/dbraw/zinc/13/18/89/835131889.db2.gz YICQEBSQMBYQKU-HNNXBMFYSA-N 0 3 355.398 1.252 20 10 FDCDHN COC(=O)C1([C@]2(O)CCCN(Cc3cc4c(cc3O)OCO4)C2)CCC1 ZINC000897699701 840244203 /nfs/dbraw/zinc/24/42/03/840244203.db2.gz IDDXYVNGVQSQRX-IBGZPJMESA-N 0 3 363.410 1.791 20 10 FDCDHN CN(C)c1ccc([C@H](CNCc2cn(C[C@@H]3CCCO3)nn2)N(C)C)cc1 ZINC000898447248 844714053 /nfs/dbraw/zinc/71/40/53/844714053.db2.gz IBSMNXYAUFLMRN-PMACEKPBSA-N 0 3 372.517 1.916 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCOC[C@H]2CCO)N(C)C)cc1 ZINC000899096838 845757397 /nfs/dbraw/zinc/75/73/97/845757397.db2.gz VEDODAKPQGVDLN-QZTJIDSGSA-N 0 3 364.490 1.148 20 10 FDCDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H](CO)O1 ZINC000899103364 845775773 /nfs/dbraw/zinc/77/57/73/845775773.db2.gz KUJGFJNLVTYGSE-FHLIZLRMSA-N 0 3 364.490 1.147 20 10 FDCDHN Cc1nnc([C@H](C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000899104930 845778401 /nfs/dbraw/zinc/77/84/01/845778401.db2.gz SVJLSLAVKSUSDG-BLLLJJGKSA-N 0 3 359.478 1.842 20 10 FDCDHN CO[C@](C)(CO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098875 845792390 /nfs/dbraw/zinc/79/23/90/845792390.db2.gz UIVQZKNNQMWJFS-AEFFLSMTSA-N 0 3 352.479 1.052 20 10 FDCDHN COC[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100811 845797793 /nfs/dbraw/zinc/79/77/93/845797793.db2.gz DYWBKXLEMWCETF-WMZOPIPTSA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](CC(N)=O)C2)N(C)C)cc1 ZINC000899101264 845798587 /nfs/dbraw/zinc/79/85/87/845798587.db2.gz GVGIPQIYLFVZSP-PBHICJAKSA-N 0 3 361.490 1.262 20 10 FDCDHN O[C@@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)CC1(O)CCCC1 ZINC000905283585 851815587 /nfs/dbraw/zinc/81/55/87/851815587.db2.gz GVKVNOLWKNMOEA-OAHLLOKOSA-N 0 3 370.440 1.947 20 10 FDCDHN C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)CN1CCN(C)CC1 ZINC000073915488 881355522 /nfs/dbraw/zinc/35/55/22/881355522.db2.gz GYTPFYLRHXFZOV-OAHLLOKOSA-N 0 3 365.497 1.574 20 10 FDCDHN CN1CCN(c2ccc(CN3CCN(c4ncc(F)cn4)CC3)cc2)CC1 ZINC000761227273 864457959 /nfs/dbraw/zinc/45/79/59/864457959.db2.gz YSOKYWYLNKYPDB-UHFFFAOYSA-N 0 3 370.476 1.690 20 10 FDCDHN CS[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1N(C)C ZINC000762359398 875807293 /nfs/dbraw/zinc/80/72/93/875807293.db2.gz NJCSJBXXQZEVSV-ZWKOTPCHSA-N 0 3 364.559 1.688 20 10 FDCDHN CC1CCN(c2ccc(CNC(=O)NC[C@@]3(O)CCN(C)C3)cc2)CC1 ZINC000763049995 877685354 /nfs/dbraw/zinc/68/53/54/877685354.db2.gz JXEXUYZEPZKDCE-FQEVSTJZSA-N 0 3 360.502 1.789 20 10 FDCDHN CO[C@]1(CNCc2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000922616175 878792702 /nfs/dbraw/zinc/79/27/02/878792702.db2.gz TXCSMUXHRVYQHY-SFHVURJKSA-N 0 3 352.500 1.970 20 10 FDCDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N(C)C ZINC000730280567 916456195 /nfs/dbraw/zinc/45/61/95/916456195.db2.gz VCNONOWESYOILH-FUHWJXTLSA-N 0 3 360.502 1.591 20 10 FDCDHN COc1ccc2c(c1)CCCN2CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000766338806 927712519 /nfs/dbraw/zinc/71/25/19/927712519.db2.gz FAYVUEWVWPXGLA-UHFFFAOYSA-N 0 3 358.442 1.422 20 10 FDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000787670907 932363866 /nfs/dbraw/zinc/36/38/66/932363866.db2.gz NTNULZUISOBNEX-MRXNPFEDSA-N 0 3 361.486 1.979 20 10 FDCDHN COCC1(C)CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000788439989 932694015 /nfs/dbraw/zinc/69/40/15/932694015.db2.gz ZPJHHTKDLLNZRD-SFHVURJKSA-N 0 3 363.502 1.146 20 10 FDCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788910385 932875060 /nfs/dbraw/zinc/87/50/60/932875060.db2.gz KJHIXAKDBNIOAT-SFHVURJKSA-N 0 3 372.513 1.894 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804733436 938557972 /nfs/dbraw/zinc/55/79/72/938557972.db2.gz HRKYYTPVPPFTHD-SFHVURJKSA-N 0 3 368.481 1.280 20 10 FDCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806330641 939901057 /nfs/dbraw/zinc/90/10/57/939901057.db2.gz PHEYRGORLWLISM-SFHVURJKSA-N 0 3 370.497 1.670 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000807101135 940250035 /nfs/dbraw/zinc/25/00/35/940250035.db2.gz QMSBEDAMZWOGAF-DOTOQJQBSA-N 0 3 374.529 1.914 20 10 FDCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000817825339 943030297 /nfs/dbraw/zinc/03/02/97/943030297.db2.gz YVTBKYWJVBBUIK-ZDUSSCGKSA-N 0 3 370.544 1.683 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC(=O)COC3(C)CNC3)cc2F)C[C@H](C)O1 ZINC000844172465 947815686 /nfs/dbraw/zinc/81/56/86/947815686.db2.gz GZTNJXJAFYEUEC-OKILXGFUSA-N 0 3 365.449 1.434 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CCN2CCCCC2)cc1 ZINC000846236934 950767135 /nfs/dbraw/zinc/76/71/35/950767135.db2.gz XMJKQYCTMIJIEK-UHFFFAOYSA-N 0 3 360.502 1.655 20 10 FDCDHN CC(C)([NH3+])CN(C(=O)c1cccc(O)c1[O-])S(=O)(=O)c1ccccc1 ZINC001148224750 952654150 /nfs/dbraw/zinc/65/41/50/952654150.db2.gz UPBZMQBYGXEFHA-UHFFFAOYSA-N 0 3 364.423 1.666 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C(C)(C)O)C1)cc2=O ZINC001175975747 963337171 /nfs/dbraw/zinc/33/71/71/963337171.db2.gz ZDMAULMFHMRJPR-GFCCVEGCSA-N 0 3 362.430 1.595 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000774888921 963958655 /nfs/dbraw/zinc/95/86/55/963958655.db2.gz KHOUVOBGSCEIDJ-UHFFFAOYSA-N 0 3 360.502 1.750 20 10 FDCDHN Cc1c2ccccc2n(C)c1CN[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001177896441 964013977 /nfs/dbraw/zinc/01/39/77/964013977.db2.gz CFDYVCXTMULUIP-KRWDZBQOSA-N 0 3 370.497 1.509 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000852314257 967211752 /nfs/dbraw/zinc/21/17/52/967211752.db2.gz FHLHHGYFBCNKNN-KRWDZBQOSA-N 0 3 356.474 1.325 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C)[C@@H]1CCO)cc2=O ZINC000852458654 967340049 /nfs/dbraw/zinc/34/00/49/967340049.db2.gz JOKDOVSNSOONOU-DOMZBBRYSA-N 0 3 362.430 1.595 20 10 FDCDHN CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000852844105 967651307 /nfs/dbraw/zinc/65/13/07/967651307.db2.gz QFSYLNQMYCDHBX-ZTQAJYAQSA-N 0 3 361.486 1.923 20 10 FDCDHN N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868478 967674339 /nfs/dbraw/zinc/67/43/39/967674339.db2.gz GOUITUVNSFGLIF-HXUWFJFHSA-N 0 3 353.466 1.834 20 10 FDCDHN CCc1cccc(CN2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)c1O ZINC000848904942 977231293 /nfs/dbraw/zinc/23/12/93/977231293.db2.gz CQNMKNYHMGJBAA-QGZVFWFLSA-N 0 3 370.515 1.827 20 10 FDCDHN C[C@H](NC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1O ZINC000868309920 977488501 /nfs/dbraw/zinc/48/85/01/977488501.db2.gz NGZHYOJWXLFGMR-UGSOOPFHSA-N 0 3 369.421 1.869 20 10 FDCDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000849565360 977760701 /nfs/dbraw/zinc/76/07/01/977760701.db2.gz TUBHZMIPOCCHAZ-HOTGVXAUSA-N 0 3 358.442 1.226 20 10 FDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cnc4n3CCC4)cc2)C1 ZINC000850058500 978134026 /nfs/dbraw/zinc/13/40/26/978134026.db2.gz DEKPRMQPFNRZKE-INIZCTEOSA-N 0 3 353.470 1.821 20 10 FDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000851679312 978994667 /nfs/dbraw/zinc/99/46/67/978994667.db2.gz BXIKXLADQQGASU-UHFFFAOYSA-N 0 3 372.473 1.827 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)CCCCN3CCOCC3)cc2)CC1 ZINC000881854214 980219114 /nfs/dbraw/zinc/21/91/14/980219114.db2.gz XITXHQLZGMAANT-UHFFFAOYSA-N 0 3 374.529 1.557 20 10 FDCDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000858327490 981988410 /nfs/dbraw/zinc/98/84/10/981988410.db2.gz RYYMYTAVPYTJDV-DOTOQJQBSA-N 0 3 362.405 1.974 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CCC(F)(F)CC3)CC2)cc1 ZINC000796539639 1014909010 /nfs/dbraw/zinc/90/90/10/1014909010.db2.gz NBDADHQVWDZWKT-KRWDZBQOSA-N 0 3 369.456 1.909 20 10 FDCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(O)(COCCO)CC2)c1 ZINC000884478000 983181224 /nfs/dbraw/zinc/18/12/24/983181224.db2.gz NMYCJWNKDFGZQG-UHFFFAOYSA-N 0 3 353.459 1.731 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000862250590 984283565 /nfs/dbraw/zinc/28/35/65/984283565.db2.gz MIMLWGWLOZTZGP-QGZVFWFLSA-N 0 3 366.456 1.769 20 10 FDCDHN C[C@@](O)(C[C@@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000872209671 987516685 /nfs/dbraw/zinc/51/66/85/987516685.db2.gz OOCABLATDUUFHJ-DNVCBOLYSA-N 0 3 370.440 1.803 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000296448395 989215182 /nfs/dbraw/zinc/21/51/82/989215182.db2.gz OAIUEUMULVZBOM-MBNRZODZSA-N 0 3 373.497 1.499 20 10 FDCDHN O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000924709571 994944857 /nfs/dbraw/zinc/94/48/57/994944857.db2.gz XWVXRZZGQMBNBH-QGZVFWFLSA-N 0 3 361.511 1.625 20 10 FDCDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000074261704 995330385 /nfs/dbraw/zinc/33/03/85/995330385.db2.gz PNBICGGQJWBJEA-HNNXBMFYSA-N 0 3 364.490 1.474 20 10 FDCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000777564723 995663021 /nfs/dbraw/zinc/66/30/21/995663021.db2.gz BWZSMWHXGMXQAP-NOZJJQNGSA-N 0 3 360.332 1.318 20 10 FDCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000777564723 995663030 /nfs/dbraw/zinc/66/30/30/995663030.db2.gz BWZSMWHXGMXQAP-NOZJJQNGSA-N 0 3 360.332 1.318 20 10 FDCDHN O=C(NCc1c(O)cccc1F)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000927868941 1001154406 /nfs/dbraw/zinc/15/44/06/1001154406.db2.gz ZOQUPYRDPDNMBR-QGZVFWFLSA-N 0 3 373.384 1.447 20 10 FDCDHN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000930919050 1003662759 /nfs/dbraw/zinc/66/27/59/1003662759.db2.gz RSYBVIQWWSSHEY-VKJFTORMSA-N 0 3 360.502 1.685 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(=O)n(C)n2)N(C)C)cc1 ZINC000931737096 1004458195 /nfs/dbraw/zinc/45/81/95/1004458195.db2.gz HAFGTSXIULBZRN-HNNXBMFYSA-N 0 3 358.446 1.271 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@]34C[C@H]3COC43CCC3)CC2)cc1 ZINC000933391123 1005550192 /nfs/dbraw/zinc/55/01/92/1005550192.db2.gz FRXFSPIFIOSBHA-HRAATJIYSA-N 0 3 371.481 1.645 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934253035 1005721184 /nfs/dbraw/zinc/72/11/84/1005721184.db2.gz AWCGYUFLEPNCAN-VQTJNVASSA-N 0 3 374.529 1.242 20 10 FDCDHN CCC[NH+]1CCC(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000271227877 674325199 /nfs/dbraw/zinc/32/51/99/674325199.db2.gz HSYYKTKOLOOFHL-UHFFFAOYSA-N 0 3 369.487 1.710 20 10 FDCDHN C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)CN1CCN(C)CC1 ZINC000074656804 522813126 /nfs/dbraw/zinc/81/31/26/522813126.db2.gz QOIWYSRKQFIAQS-QGZVFWFLSA-N 0 3 361.534 1.778 20 10 FDCDHN CN1CCC(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000079854622 523797609 /nfs/dbraw/zinc/79/76/09/523797609.db2.gz GVEKXXZHPSNUKP-UHFFFAOYSA-N 0 3 360.502 1.789 20 10 FDCDHN COc1ccc([O-])c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 ZINC000179950886 525647276 /nfs/dbraw/zinc/64/72/76/525647276.db2.gz LVVRNXDJYVHIBS-UHFFFAOYSA-N 0 3 358.442 1.776 20 10 FDCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000185309623 536204959 /nfs/dbraw/zinc/20/49/59/536204959.db2.gz IVHSYNXRKNAGIQ-MRXNPFEDSA-N 0 3 369.469 1.880 20 10 FDCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)N2CCOCC2)c1[O-] ZINC000187423160 536265925 /nfs/dbraw/zinc/26/59/25/536265925.db2.gz XUBBQLPJNMKBDB-NSHDSACASA-N 0 3 357.248 1.973 20 10 FDCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000246368423 536937361 /nfs/dbraw/zinc/93/73/61/536937361.db2.gz JASJWUHEGWAJDM-MJGOQNOKSA-N 0 3 374.529 1.726 20 10 FDCDHN O=C(c1[nH]nc2c1CNCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000188886809 536965306 /nfs/dbraw/zinc/96/53/06/536965306.db2.gz VCICYQBPAKZPGS-CQSZACIVSA-N 0 3 356.426 1.582 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000283296332 537367402 /nfs/dbraw/zinc/36/74/02/537367402.db2.gz AOPJCZXUMIOBSK-GOSISDBHSA-N 0 3 358.486 1.456 20 10 FDCDHN CN(C)c1ccc(CN(C(=O)C(=O)NCCN(C)C2CC2)C2CC2)cc1 ZINC000285104533 537605832 /nfs/dbraw/zinc/60/58/32/537605832.db2.gz QSBGPUVWNBFDGL-UHFFFAOYSA-N 0 3 358.486 1.454 20 10 FDCDHN COc1ccc(O)c([C@H](C)N2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000368028681 537972957 /nfs/dbraw/zinc/97/29/57/537972957.db2.gz FMTZGGWKXWMNPL-SOLBZPMBSA-N 0 3 363.502 1.799 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000563838441 546703301 /nfs/dbraw/zinc/70/33/01/546703301.db2.gz WDFLZTVYDUPJPM-GOEBONIOSA-N 0 3 368.481 1.798 20 10 FDCDHN CN(C)c1ccc(C[N@H+](C)C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821611106 607387307 /nfs/dbraw/zinc/38/73/07/607387307.db2.gz QSYRDWVUCSYLDS-CQSZACIVSA-N 0 3 367.461 1.303 20 10 FDCDHN CN(C)c1ccc(C[N@@H+](C)C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821611106 607387309 /nfs/dbraw/zinc/38/73/09/607387309.db2.gz QSYRDWVUCSYLDS-CQSZACIVSA-N 0 3 367.461 1.303 20 10 FDCDHN CN(C)c1ccc(C[N@H+](C)C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821611106 607387311 /nfs/dbraw/zinc/38/73/11/607387311.db2.gz QSYRDWVUCSYLDS-CQSZACIVSA-N 0 3 367.461 1.303 20 10 FDCDHN CN(C)c1ccc(C[N@@H+](C)C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821611106 607387313 /nfs/dbraw/zinc/38/73/13/607387313.db2.gz QSYRDWVUCSYLDS-CQSZACIVSA-N 0 3 367.461 1.303 20 10 FDCDHN COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278349411 675125132 /nfs/dbraw/zinc/12/51/32/675125132.db2.gz MOOYXKWSSNOIGP-RYQLBKOJSA-N 0 3 353.459 1.786 20 10 FDCDHN COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278349411 675125136 /nfs/dbraw/zinc/12/51/36/675125136.db2.gz MOOYXKWSSNOIGP-RYQLBKOJSA-N 0 3 353.459 1.786 20 10 FDCDHN COCCO[C@H]1C[C@H](CO)CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000278674384 675177657 /nfs/dbraw/zinc/17/76/57/675177657.db2.gz LTSXFGKXSPCDSK-ZFWWWQNUSA-N 0 3 355.431 1.255 20 10 FDCDHN CCS(=O)(=O)N(C)C1CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000160167376 671999744 /nfs/dbraw/zinc/99/97/44/671999744.db2.gz ZBFRXKMYRXVJMR-UHFFFAOYSA-N 0 3 356.488 1.955 20 10 FDCDHN CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000266474760 673127388 /nfs/dbraw/zinc/12/73/88/673127388.db2.gz MKZWIMRORRPEDF-CYBMUJFWSA-N 0 3 369.487 1.568 20 10 FDCDHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000266474760 673127390 /nfs/dbraw/zinc/12/73/90/673127390.db2.gz MKZWIMRORRPEDF-CYBMUJFWSA-N 0 3 369.487 1.568 20 10 FDCDHN O=S(=O)(CC[NH2+][C@H]1CCc2cccc([O-])c21)NC[C@H]1CCCCO1 ZINC000296226043 676416873 /nfs/dbraw/zinc/41/68/73/676416873.db2.gz AKBJEHUGEXGEJO-CABCVRRESA-N 0 3 354.472 1.458 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297306367 676425708 /nfs/dbraw/zinc/42/57/08/676425708.db2.gz YGSHZWAUEPXEOS-UHFFFAOYSA-N 0 3 367.471 1.510 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@@H]3C(=O)NC[C@H]3C2)c1O ZINC000367923195 677496885 /nfs/dbraw/zinc/49/68/85/677496885.db2.gz FJPHTMOFEFXUDZ-JQWIXIFHSA-N 0 3 355.232 1.731 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000377659500 678584487 /nfs/dbraw/zinc/58/44/87/678584487.db2.gz ZYDRCDNXNCLXNR-AWEZNQCLSA-N 0 3 367.471 1.464 20 10 FDCDHN COc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c([O-])c1OC ZINC000892227113 782350496 /nfs/dbraw/zinc/35/04/96/782350496.db2.gz ZXWWCXBELPQMEK-UHFFFAOYSA-N 0 3 358.460 1.265 20 10 FDCDHN COc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c([O-])c1OC ZINC000892227113 782350513 /nfs/dbraw/zinc/35/05/13/782350513.db2.gz ZXWWCXBELPQMEK-UHFFFAOYSA-N 0 3 358.460 1.265 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccsc2)N(C)C)cc1 ZINC000049504479 768871938 /nfs/dbraw/zinc/87/19/38/768871938.db2.gz BFAAMQZDCOMKCB-QGZVFWFLSA-N 0 3 374.510 1.849 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn(C3CC3)c2N)N(C)C)cc1 ZINC000891244018 774056957 /nfs/dbraw/zinc/05/69/57/774056957.db2.gz XJLQHXKPNRSCMJ-KRWDZBQOSA-N 0 3 356.474 1.899 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccc(C(N)=O)o2)N(C)C)cc1 ZINC000891246192 774084581 /nfs/dbraw/zinc/08/45/81/774084581.db2.gz NEWARAZIYVISHX-XSLBHYSZSA-N 0 3 370.453 1.877 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c[nH]1 ZINC000891247072 774091011 /nfs/dbraw/zinc/09/10/11/774091011.db2.gz HCOMIXIXMGBWDR-QGZVFWFLSA-N 0 3 358.442 1.900 20 10 FDCDHN COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000891248479 774097340 /nfs/dbraw/zinc/09/73/40/774097340.db2.gz NFSRHNYQNGXMGJ-KRWDZBQOSA-N 0 3 358.442 1.900 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2nnc3c2CCCC3)N(C)C)cc1 ZINC000891249313 774105751 /nfs/dbraw/zinc/10/57/51/774105751.db2.gz QUBHYIQKFOHKEK-LJQANCHMSA-N 0 3 370.501 1.642 20 10 FDCDHN COC(=O)N(C)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254507 774146762 /nfs/dbraw/zinc/14/67/62/774146762.db2.gz YNZCFOHCYJPBGO-QGZVFWFLSA-N 0 3 364.490 1.950 20 10 FDCDHN COc1ccc2c(c1)c1c(n2CC(=O)N2CCOC3(CNC3)C2)CCCC1 ZINC000663492303 807197751 /nfs/dbraw/zinc/19/77/51/807197751.db2.gz OFIWRTGOKFCWGY-UHFFFAOYSA-N 0 3 369.465 1.730 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2COC(C)(C)O2)N(C)C)cc1 ZINC000894118604 810125815 /nfs/dbraw/zinc/12/58/15/810125815.db2.gz BEFYAHSWRQCWPV-IAGOWNOFSA-N 0 3 364.490 1.806 20 10 FDCDHN COC(=O)[C@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895372576 822554069 /nfs/dbraw/zinc/55/40/69/822554069.db2.gz DNKNZGSDHWFNLH-UXLLHSPISA-N 0 3 362.474 1.606 20 10 FDCDHN COCc1ncc2c(n1)CCN(Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC000895415509 822590163 /nfs/dbraw/zinc/59/01/63/822590163.db2.gz PFPJNYABQGEAMS-UHFFFAOYSA-N 0 3 367.497 1.933 20 10 FDCDHN C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2ncnn21 ZINC000895660876 822688042 /nfs/dbraw/zinc/68/80/42/822688042.db2.gz ZJMHGTTYDMVGJO-XYPHTWIQSA-N 0 3 371.489 1.952 20 10 FDCDHN CC(=O)N[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899098824 845792509 /nfs/dbraw/zinc/79/25/09/845792509.db2.gz SRLJXPCSQPIKLT-FUHWJXTLSA-N 0 3 361.490 1.275 20 10 FDCDHN COC[C@@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100806 845797838 /nfs/dbraw/zinc/79/78/38/845797838.db2.gz DYWBKXLEMWCETF-AEFFLSMTSA-N 0 3 352.479 1.052 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000914153808 871127642 /nfs/dbraw/zinc/12/76/42/871127642.db2.gz LKQAZCXHBOQDKG-DYVFJYSZSA-N 0 3 354.472 1.867 20 10 FDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1 ZINC000763032645 877600313 /nfs/dbraw/zinc/60/03/13/877600313.db2.gz XZLUZKQZUYDLFC-INIZCTEOSA-N 0 3 358.486 1.489 20 10 FDCDHN CCOc1cccc(CNCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c1O ZINC000922495209 878336160 /nfs/dbraw/zinc/33/61/60/878336160.db2.gz DXUNJIGBWODMER-UHFFFAOYSA-N 0 3 373.331 1.905 20 10 FDCDHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000186701554 881104103 /nfs/dbraw/zinc/10/41/03/881104103.db2.gz FJUINPGIKQRIOZ-FXAWDEMLSA-N 0 3 361.486 1.876 20 10 FDCDHN CN1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000918117763 884113113 /nfs/dbraw/zinc/11/31/13/884113113.db2.gz IJUDROSFCNQWTQ-QGZVFWFLSA-N 0 3 373.501 1.235 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NC1CCN(C)CC1 ZINC000920308255 886853453 /nfs/dbraw/zinc/85/34/53/886853453.db2.gz VBBYRDNSVRVSBN-UHFFFAOYSA-N 0 3 362.543 1.924 20 10 FDCDHN C[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765417916 907031293 /nfs/dbraw/zinc/03/12/93/907031293.db2.gz YGGIVWHRGITNFI-OAHLLOKOSA-N 0 3 364.465 1.087 20 10 FDCDHN N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746316947 927819975 /nfs/dbraw/zinc/81/99/75/927819975.db2.gz GCAAMFCGFSIOQO-LJQANCHMSA-N 0 3 371.456 1.973 20 10 FDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000787750826 932386204 /nfs/dbraw/zinc/38/62/04/932386204.db2.gz IJERYIIEPTWDNP-CVEARBPZSA-N 0 3 360.502 1.920 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000788929623 932864228 /nfs/dbraw/zinc/86/42/28/932864228.db2.gz WZWJVFYREOOUNF-IBGZPJMESA-N 0 3 372.513 1.846 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000788912440 932876027 /nfs/dbraw/zinc/87/60/27/932876027.db2.gz TVEVAARDTQDEQI-GOSISDBHSA-N 0 3 370.497 1.504 20 10 FDCDHN CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805101758 938661519 /nfs/dbraw/zinc/66/15/19/938661519.db2.gz DPTXKKSTZHDFEE-LBPRGKRZSA-N 0 3 361.273 1.744 20 10 FDCDHN CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805101758 938661520 /nfs/dbraw/zinc/66/15/20/938661520.db2.gz DPTXKKSTZHDFEE-LBPRGKRZSA-N 0 3 361.273 1.744 20 10 FDCDHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807673333 940451330 /nfs/dbraw/zinc/45/13/30/940451330.db2.gz QUEKFPFNFWATRO-MRXNPFEDSA-N 0 3 362.518 1.976 20 10 FDCDHN C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000747815432 941267644 /nfs/dbraw/zinc/26/76/44/941267644.db2.gz HWAXTFGRBVWMFB-OXJNMPFZSA-N 0 3 373.497 1.954 20 10 FDCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000817825338 943030166 /nfs/dbraw/zinc/03/01/66/943030166.db2.gz YVTBKYWJVBBUIK-CYBMUJFWSA-N 0 3 370.544 1.683 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCNC[C@@H]2c2nccn2C)cc1 ZINC000844224987 947858438 /nfs/dbraw/zinc/85/84/38/947858438.db2.gz XHHRAAKOZOSPLI-GOSISDBHSA-N 0 3 370.501 1.091 20 10 FDCDHN CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775700928 971563036 /nfs/dbraw/zinc/56/30/36/971563036.db2.gz SLNSWLXKOVDENV-INIZCTEOSA-N 0 3 353.532 1.693 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)C2)cc1 ZINC000852844733 967651679 /nfs/dbraw/zinc/65/16/79/967651679.db2.gz ZHELTHOAVQPUMV-ASTRLGPVSA-N 0 3 373.497 1.923 20 10 FDCDHN CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000775370890 967696097 /nfs/dbraw/zinc/69/60/97/967696097.db2.gz XFZYBWOMVBVHDM-PRXAMGSTSA-N 0 3 352.431 1.755 20 10 FDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1C1CCN([C@@H]2CCOC2)CC1 ZINC000853086410 967820277 /nfs/dbraw/zinc/82/02/77/967820277.db2.gz KLNSAXRHYTWEEX-MRXNPFEDSA-N 0 3 359.426 1.410 20 10 FDCDHN CCCCN(CCCO)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775560897 969427590 /nfs/dbraw/zinc/42/75/90/969427590.db2.gz LNICQXIVQWZZDW-UHFFFAOYSA-N 0 3 363.502 1.828 20 10 FDCDHN CCOC(=O)C1(COC)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000794700488 973661293 /nfs/dbraw/zinc/66/12/93/973661293.db2.gz OQNSZLOEZLIIQU-INIZCTEOSA-N 0 3 365.426 1.610 20 10 FDCDHN CCOC(=O)C1(COC)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000794700488 973661309 /nfs/dbraw/zinc/66/13/09/973661309.db2.gz OQNSZLOEZLIIQU-INIZCTEOSA-N 0 3 365.426 1.610 20 10 FDCDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000849565363 977760491 /nfs/dbraw/zinc/76/04/91/977760491.db2.gz TUBHZMIPOCCHAZ-HZPDHXFCSA-N 0 3 358.442 1.226 20 10 FDCDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(N2CCOCC2)cc1 ZINC000776521663 978872277 /nfs/dbraw/zinc/87/22/77/978872277.db2.gz XEVYFZBYWNPEPR-LJQANCHMSA-N 0 3 350.459 1.706 20 10 FDCDHN CN(C)c1cc(F)c(CN[C@H]2CCN(CCN3CCOCC3)C2)cc1F ZINC000858139171 981856207 /nfs/dbraw/zinc/85/62/07/981856207.db2.gz QCEBBIGHCMCDCJ-INIZCTEOSA-N 0 3 368.472 1.527 20 10 FDCDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000862552179 984410939 /nfs/dbraw/zinc/41/09/39/984410939.db2.gz UKKGAFPQXVZXHJ-LBPRGKRZSA-N 0 3 358.460 1.171 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000266042952 984495827 /nfs/dbraw/zinc/49/58/27/984495827.db2.gz WJWDKJISOQQSEN-SFHVURJKSA-N 0 3 360.502 1.023 20 10 FDCDHN CCCOc1ccc(CNCCNS(=O)(=O)Cc2ccon2)cc1C ZINC000873070899 988505784 /nfs/dbraw/zinc/50/57/84/988505784.db2.gz BXKIRZXLRFQGJF-UHFFFAOYSA-N 0 3 367.471 1.981 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CCSC)CC2)c(OC)c1 ZINC000877227152 993118042 /nfs/dbraw/zinc/11/80/42/993118042.db2.gz DGXOWSQOVPRVMZ-AWEZNQCLSA-N 0 3 353.488 1.433 20 10 FDCDHN O=c1cc(N2CCOCC2)cnn1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000375566412 993237228 /nfs/dbraw/zinc/23/72/28/993237228.db2.gz PCRBVDANVAKGOX-QGZVFWFLSA-N 0 3 370.453 1.623 20 10 FDCDHN O=c1cc(N2CCOCC2)cnn1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000375566412 993237239 /nfs/dbraw/zinc/23/72/39/993237239.db2.gz PCRBVDANVAKGOX-QGZVFWFLSA-N 0 3 370.453 1.623 20 10 FDCDHN COC(=O)CNC(=O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000877706705 993459506 /nfs/dbraw/zinc/45/95/06/993459506.db2.gz QFMOFSPKOCIDGT-UHFFFAOYSA-N 0 3 358.394 1.350 20 10 FDCDHN COC(=O)CNC(=O)CNCc1ccc(OCc2ccccc2)cc1O ZINC000877706705 993459522 /nfs/dbraw/zinc/45/95/22/993459522.db2.gz QFMOFSPKOCIDGT-UHFFFAOYSA-N 0 3 358.394 1.350 20 10 FDCDHN C[C@@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000879648247 995134703 /nfs/dbraw/zinc/13/47/03/995134703.db2.gz GNBJMKAKCNQRBI-CYBMUJFWSA-N 0 3 358.394 1.967 20 10 FDCDHN CCOC[C@@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000265006724 997671153 /nfs/dbraw/zinc/67/11/53/997671153.db2.gz DXWLUCKBPHZERO-CYBMUJFWSA-N 0 3 362.430 1.860 20 10 FDCDHN CC[C@H]1CN(C)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889663659 998513583 /nfs/dbraw/zinc/51/35/83/998513583.db2.gz TWBTVUZNVWDXOQ-SFHVURJKSA-N 0 3 359.518 1.674 20 10 FDCDHN CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)N(C)C1 ZINC000284563042 999850618 /nfs/dbraw/zinc/85/06/18/999850618.db2.gz HHSSACYVXQGFSB-IECUYZFFSA-N 0 3 373.497 1.714 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccoc2)N(C)C)cc1 ZINC000929458403 1002077835 /nfs/dbraw/zinc/07/78/35/1002077835.db2.gz RMNXQMWNCRRZMV-KRWDZBQOSA-N 0 3 358.442 1.381 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)C[C@H]1CCCO1 ZINC000929971228 1002677925 /nfs/dbraw/zinc/67/79/25/1002677925.db2.gz NWBMYVFSUPKDCP-LMMKCTJWSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)C[C@H]1CCCO1 ZINC000929971228 1002677929 /nfs/dbraw/zinc/67/79/29/1002677929.db2.gz NWBMYVFSUPKDCP-LMMKCTJWSA-N 0 3 351.443 1.276 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccn(C)c2)N(C)C)cc1 ZINC000930237400 1002955880 /nfs/dbraw/zinc/95/58/80/1002955880.db2.gz UGBADZJLXKLXRY-SFHVURJKSA-N 0 3 371.485 1.126 20 10 FDCDHN COc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000930899613 1003644098 /nfs/dbraw/zinc/64/40/98/1003644098.db2.gz HRFGQVGAHDJXPS-OAHLLOKOSA-N 0 3 360.462 1.919 20 10 FDCDHN C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000930919047 1003660767 /nfs/dbraw/zinc/66/07/67/1003660767.db2.gz RSYBVIQWWSSHEY-IIDMSEBBSA-N 0 3 360.502 1.685 20 10 FDCDHN C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000930919048 1003661739 /nfs/dbraw/zinc/66/17/39/1003661739.db2.gz RSYBVIQWWSSHEY-RKVPGOIHSA-N 0 3 360.502 1.685 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CNC1([C@H]3CCCCO3)CC1)cc2=O ZINC000933375498 1005547631 /nfs/dbraw/zinc/54/76/31/1005547631.db2.gz QZISNVLTNMLEFL-CQSZACIVSA-N 0 3 360.414 1.803 20 10 FDCDHN CCCN(CC)CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000554656669 543845715 /nfs/dbraw/zinc/84/57/15/543845715.db2.gz GBPOSPUDYVMAHU-UHFFFAOYSA-N 0 3 358.486 1.951 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2COCCO2)N(C)C)cc1 ZINC000892191879 782110654 /nfs/dbraw/zinc/11/06/54/782110654.db2.gz OFQWZTQSNXHFNI-DLBZAZTESA-N 0 3 350.463 1.070 20 10 FDCDHN C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)CN1CCN(C)CC1 ZINC000074656803 522813823 /nfs/dbraw/zinc/81/38/23/522813823.db2.gz QOIWYSRKQFIAQS-KRWDZBQOSA-N 0 3 361.534 1.778 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000172422729 524219706 /nfs/dbraw/zinc/21/97/06/524219706.db2.gz WNHDJUKZJOILBX-UHFFFAOYSA-N 0 3 374.529 1.413 20 10 FDCDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)Cc1ccccc1O ZINC000102049082 525271584 /nfs/dbraw/zinc/27/15/84/525271584.db2.gz KEPRBJNEFUCRPC-INIZCTEOSA-N 0 3 362.474 1.476 20 10 FDCDHN CN(CCN(C)C1CC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000185188097 536201798 /nfs/dbraw/zinc/20/17/98/536201798.db2.gz LVWPZXKYDBCDAJ-UHFFFAOYSA-N 0 3 364.465 1.898 20 10 FDCDHN C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cc(F)ccc1[O-] ZINC000185309666 536204978 /nfs/dbraw/zinc/20/49/78/536204978.db2.gz FOPGJZUDFZRWMJ-AWEZNQCLSA-N 0 3 373.432 1.711 20 10 FDCDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000186019816 536223554 /nfs/dbraw/zinc/22/35/54/536223554.db2.gz MIIUNNHOLJCWKI-CABCVRRESA-N 0 3 356.488 1.840 20 10 FDCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c1[O-] ZINC000187547123 536268872 /nfs/dbraw/zinc/26/88/72/536268872.db2.gz VDRHDUVEKDJUDJ-SECBINFHSA-N 0 3 356.220 1.666 20 10 FDCDHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC[C@@H]21 ZINC000269089759 537018530 /nfs/dbraw/zinc/01/85/30/537018530.db2.gz YUIIVXNDQPFTQJ-DOMZBBRYSA-N 0 3 367.471 1.320 20 10 FDCDHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC[C@@H]21 ZINC000269089759 537018534 /nfs/dbraw/zinc/01/85/34/537018534.db2.gz YUIIVXNDQPFTQJ-DOMZBBRYSA-N 0 3 367.471 1.320 20 10 FDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283888343 537389283 /nfs/dbraw/zinc/38/92/83/537389283.db2.gz FVTBUIQTRRSPGM-LJQANCHMSA-N 0 3 372.513 1.894 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000287884219 537448197 /nfs/dbraw/zinc/44/81/97/537448197.db2.gz SXWCLFVGLBOVHL-UHFFFAOYSA-N 0 3 360.502 1.702 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000296517560 537714952 /nfs/dbraw/zinc/71/49/52/537714952.db2.gz ZWDQUYZDLVUSFB-SXLOBPIMSA-N 0 3 373.497 1.747 20 10 FDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000371833923 537832576 /nfs/dbraw/zinc/83/25/76/537832576.db2.gz FPLIRZOYIMPWED-HNAYVOBHSA-N 0 3 350.459 1.933 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000572793885 549996104 /nfs/dbraw/zinc/99/61/04/549996104.db2.gz XKDCMIMFXJDIQD-PBHICJAKSA-N 0 3 370.497 1.948 20 10 FDCDHN CN(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000109761526 671624324 /nfs/dbraw/zinc/62/43/24/671624324.db2.gz VJLAQKLOHGOBFJ-INIZCTEOSA-N 0 3 356.488 1.655 20 10 FDCDHN CN(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000109761526 671624326 /nfs/dbraw/zinc/62/43/26/671624326.db2.gz VJLAQKLOHGOBFJ-INIZCTEOSA-N 0 3 356.488 1.655 20 10 FDCDHN O=S(=O)(CC[NH2+][C@@H]1CCc2cccc([O-])c21)NC[C@H]1CCCCO1 ZINC000296226052 676416951 /nfs/dbraw/zinc/41/69/51/676416951.db2.gz AKBJEHUGEXGEJO-HUUCEWRRSA-N 0 3 354.472 1.458 20 10 FDCDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299112959 676517848 /nfs/dbraw/zinc/51/78/48/676517848.db2.gz YOJATTVIXIMADV-OLZOCXBDSA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299112959 676517850 /nfs/dbraw/zinc/51/78/50/676517850.db2.gz YOJATTVIXIMADV-OLZOCXBDSA-N 0 3 369.487 1.614 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000363369912 676950122 /nfs/dbraw/zinc/95/01/22/676950122.db2.gz WSTKDLPSCITMAL-CYBMUJFWSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000363369912 676950123 /nfs/dbraw/zinc/95/01/23/676950123.db2.gz WSTKDLPSCITMAL-CYBMUJFWSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000367909064 677496697 /nfs/dbraw/zinc/49/66/97/677496697.db2.gz WWCCGJXMOMIKAN-DOMZBBRYSA-N 0 3 367.471 1.368 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)c1O ZINC000367923196 677496861 /nfs/dbraw/zinc/49/68/61/677496861.db2.gz FJPHTMOFEFXUDZ-PWSUYJOCSA-N 0 3 355.232 1.731 20 10 FDCDHN COc1ccc(O)c([C@H](C)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000375256278 678098258 /nfs/dbraw/zinc/09/82/58/678098258.db2.gz OUIZUCYKIBDTJE-DZGCQCFKSA-N 0 3 354.472 1.962 20 10 FDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000375533439 678152299 /nfs/dbraw/zinc/15/22/99/678152299.db2.gz OQRMZGNYGPBQOM-KGLIPLIRSA-N 0 3 364.833 1.489 20 10 FDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000375533439 678152301 /nfs/dbraw/zinc/15/23/01/678152301.db2.gz OQRMZGNYGPBQOM-KGLIPLIRSA-N 0 3 364.833 1.489 20 10 FDCDHN CCOc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527756396 694689026 /nfs/dbraw/zinc/68/90/26/694689026.db2.gz ZKWKJABYIMAXJH-LJQANCHMSA-N 0 3 350.459 1.496 20 10 FDCDHN COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891245763 774081630 /nfs/dbraw/zinc/08/16/30/774081630.db2.gz ITXLGJKJOIOMES-BBWFWOEESA-N 0 3 363.458 1.192 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)N(C)C)cc1 ZINC000891246174 774084152 /nfs/dbraw/zinc/08/41/52/774084152.db2.gz MVPMPSSGQXILCH-QGZVFWFLSA-N 0 3 367.453 1.675 20 10 FDCDHN CNc1nnc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891247137 774092361 /nfs/dbraw/zinc/09/23/61/774092361.db2.gz FPVYRMPTRFNTAN-CQSZACIVSA-N 0 3 362.503 1.607 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccncc2)N(C)C)cc1 ZINC000891247116 774092391 /nfs/dbraw/zinc/09/23/91/774092391.db2.gz FDVPABJGGKNMQQ-GOSISDBHSA-N 0 3 369.469 1.297 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/CN2CCOCC2)N(C)C)cc1 ZINC000891248368 774096357 /nfs/dbraw/zinc/09/63/57/774096357.db2.gz LTPABYCFQJUUAR-ZMBJWTFHSA-N 0 3 360.502 1.360 20 10 FDCDHN CN(C)c1noc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891249384 774106344 /nfs/dbraw/zinc/10/63/44/774106344.db2.gz SCXCIBATOJMVOW-INIZCTEOSA-N 0 3 374.489 1.553 20 10 FDCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)N1CCSCC1 ZINC000891251994 774124215 /nfs/dbraw/zinc/12/42/15/774124215.db2.gz JFZWSGICUAWDGM-YJBOKZPZSA-N 0 3 364.559 1.909 20 10 FDCDHN CCCC[C@@H](NC(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251184 774128912 /nfs/dbraw/zinc/12/89/12/774128912.db2.gz ARENKZGIHQMSDL-IAGOWNOFSA-N 0 3 363.506 1.699 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000891254996 774152102 /nfs/dbraw/zinc/15/21/02/774152102.db2.gz MDDFHRIUUKNLHN-HNNXBMFYSA-N 0 3 360.418 1.276 20 10 FDCDHN CN1CCN(c2ccc(CNc3ncnc4[nH]cc(C(N)=O)c43)cc2)CC1 ZINC001167431390 774657477 /nfs/dbraw/zinc/65/74/77/774657477.db2.gz XIHWYEROAQNREN-UHFFFAOYSA-N 0 3 365.441 1.372 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893134283 793241268 /nfs/dbraw/zinc/24/12/68/793241268.db2.gz HKAMDPZLMJKSAF-PMACEKPBSA-N 0 3 370.497 1.803 20 10 FDCDHN COC(=O)[C@H]1[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1(F)F ZINC000895334205 822492990 /nfs/dbraw/zinc/49/29/90/822492990.db2.gz LMIOXMULWDVPIV-HZPDHXFCSA-N 0 3 354.397 1.792 20 10 FDCDHN COC(=O)[C@H]1[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1(F)F ZINC000895334206 822493041 /nfs/dbraw/zinc/49/30/41/822493041.db2.gz LMIOXMULWDVPIV-JKSUJKDBSA-N 0 3 354.397 1.792 20 10 FDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898088455 840739574 /nfs/dbraw/zinc/73/95/74/840739574.db2.gz OWTHKCMWOAHWCB-SNVBAGLBSA-N 0 3 363.439 1.505 20 10 FDCDHN CC(C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098001 845759973 /nfs/dbraw/zinc/75/99/73/845759973.db2.gz KDUUGZRWLGMBKD-PBHICJAKSA-N 0 3 363.506 1.568 20 10 FDCDHN CC(C)[C@H](CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105803 845780285 /nfs/dbraw/zinc/78/02/85/845780285.db2.gz ZAIUORJNOWTTQK-WMZOPIPTSA-N 0 3 350.507 1.919 20 10 FDCDHN COC[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100810 845797554 /nfs/dbraw/zinc/79/75/54/845797554.db2.gz DYWBKXLEMWCETF-SJLPKXTDSA-N 0 3 352.479 1.052 20 10 FDCDHN COC[C@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100614 845797734 /nfs/dbraw/zinc/79/77/34/845797734.db2.gz AYTQPBMVDCFSLT-SJORKVTESA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=S)NC[C@@H]2CCOC2)N(C)C)cc1 ZINC000899724266 846625859 /nfs/dbraw/zinc/62/58/59/846625859.db2.gz LLOQNEADXWQNKH-WMLDXEAASA-N 0 3 350.532 1.856 20 10 FDCDHN O[C@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)CC1(O)CCCC1 ZINC000905283583 851815814 /nfs/dbraw/zinc/81/58/14/851815814.db2.gz GVKVNOLWKNMOEA-HNNXBMFYSA-N 0 3 370.440 1.947 20 10 FDCDHN CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000918852368 884969090 /nfs/dbraw/zinc/96/90/90/884969090.db2.gz LLZCYANLCWUNFN-UHFFFAOYSA-N 0 3 367.497 1.825 20 10 FDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000763485642 889827491 /nfs/dbraw/zinc/82/74/91/889827491.db2.gz GYCIXXDDFLBLJK-YLJYHZDGSA-N 0 3 373.545 1.920 20 10 FDCDHN C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001081025963 906979606 /nfs/dbraw/zinc/97/96/06/906979606.db2.gz GPROKSWCCGKBCT-CZUORRHYSA-N 0 3 369.429 1.796 20 10 FDCDHN COCCN1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000736653276 924864906 /nfs/dbraw/zinc/86/49/06/924864906.db2.gz MFBSXVPLDCCCHF-KRWDZBQOSA-N 0 3 362.474 1.043 20 10 FDCDHN COC(=O)C[C@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCCOC1 ZINC000770674828 930177475 /nfs/dbraw/zinc/17/74/75/930177475.db2.gz NAFPRRZCPAEDPZ-LJQANCHMSA-N 0 3 366.433 1.864 20 10 FDCDHN CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c([O-])c1 ZINC000791006510 933819728 /nfs/dbraw/zinc/81/97/28/933819728.db2.gz KVOZHPIMTANHTQ-UHFFFAOYSA-N 0 3 365.451 1.847 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000804732650 938556839 /nfs/dbraw/zinc/55/68/39/938556839.db2.gz WOCIJWWSLJVJLO-RHSMWYFYSA-N 0 3 358.486 1.530 20 10 FDCDHN O=C(NCc1cc(Br)ccc1O)[C@@H]1CN2CCN1CCC2 ZINC000804735865 938559307 /nfs/dbraw/zinc/55/93/07/938559307.db2.gz KGLHRHRAGXAGGJ-ZDUSSCGKSA-N 0 3 354.248 1.161 20 10 FDCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000806329960 939901042 /nfs/dbraw/zinc/90/10/42/939901042.db2.gz IJUQYFIPSYSSEF-RDJZCZTQSA-N 0 3 360.502 1.920 20 10 FDCDHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289000 940303684 /nfs/dbraw/zinc/30/36/84/940303684.db2.gz GHXCTTNQDNACMN-UHFFFAOYSA-N 0 3 372.513 1.725 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cccc(O)c3)CC2)cc1 ZINC000819060981 943400052 /nfs/dbraw/zinc/40/00/52/943400052.db2.gz MXFAOPJVXCATIF-HXUWFJFHSA-N 0 3 371.481 1.674 20 10 FDCDHN COc1cc(Cl)cc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147628 946995438 /nfs/dbraw/zinc/99/54/38/946995438.db2.gz JAHBUTSUJUSATM-HNNXBMFYSA-N 0 3 367.877 1.841 20 10 FDCDHN NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825246495 947089230 /nfs/dbraw/zinc/08/92/30/947089230.db2.gz BDAQKAPTSGAKEO-ZDUSSCGKSA-N 0 3 370.291 1.832 20 10 FDCDHN Oc1cc(O)c(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(O)c1 ZINC001144509217 949784979 /nfs/dbraw/zinc/78/49/79/949784979.db2.gz PKLZRWMBKXWZEL-UHFFFAOYSA-N 0 3 370.331 1.934 20 10 FDCDHN COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001148214495 952649442 /nfs/dbraw/zinc/64/94/42/952649442.db2.gz URYUJJPHYDZSHC-FOIQADDNSA-N 0 3 360.454 1.918 20 10 FDCDHN COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001148214495 952649447 /nfs/dbraw/zinc/64/94/47/952649447.db2.gz URYUJJPHYDZSHC-FOIQADDNSA-N 0 3 360.454 1.918 20 10 FDCDHN COc1cc(N(C(=O)c2cc(O)c([O-])c(O)c2)C2CC[NH2+]CC2)ccn1 ZINC001148588560 952760640 /nfs/dbraw/zinc/76/06/40/952760640.db2.gz UDPLKMYVWVPMGD-UHFFFAOYSA-N 0 3 359.382 1.606 20 10 FDCDHN C[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775253659 966989068 /nfs/dbraw/zinc/98/90/68/966989068.db2.gz AQCGHAGHFZUWKN-ZACQAIPSSA-N 0 3 361.486 1.810 20 10 FDCDHN C[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000775254651 966992065 /nfs/dbraw/zinc/99/20/65/966992065.db2.gz MDGKKZWLZVHYCD-AWEZNQCLSA-N 0 3 353.426 1.710 20 10 FDCDHN COc1ccc(N(C)CCN(C)C[C@@](O)(C(N)=O)c2ccccc2)cc1 ZINC000852211741 967103725 /nfs/dbraw/zinc/10/37/25/967103725.db2.gz PNFXBCNLDHJKJF-FQEVSTJZSA-N 0 3 357.454 1.436 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@](O)(C3CC3)C1)cc2=O ZINC000852503170 967380676 /nfs/dbraw/zinc/38/06/76/967380676.db2.gz RKLBEMXPTKFIKO-SFHVURJKSA-N 0 3 360.414 1.349 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000775371394 967713900 /nfs/dbraw/zinc/71/39/00/967713900.db2.gz XLXSPOVJSIEWEA-CYBMUJFWSA-N 0 3 350.415 1.417 20 10 FDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1[O-] ZINC000866709968 975940410 /nfs/dbraw/zinc/94/04/10/975940410.db2.gz UTAPRDYGPDXIEV-IMJJTQAJSA-N 0 3 363.389 1.101 20 10 FDCDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690713 976642965 /nfs/dbraw/zinc/64/29/65/976642965.db2.gz KVXGAQPVQSTSRR-LBPRGKRZSA-N 0 3 367.345 1.922 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848566592 976904327 /nfs/dbraw/zinc/90/43/27/976904327.db2.gz BUWCMOZBKUZTPV-LLVKDONJSA-N 0 3 367.247 1.939 20 10 FDCDHN C[C@H](NC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1O ZINC000868309919 977488236 /nfs/dbraw/zinc/48/82/36/977488236.db2.gz NGZHYOJWXLFGMR-SCLBCKFNSA-N 0 3 369.421 1.869 20 10 FDCDHN O=C(NCc1ccccc1O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850806399 978678484 /nfs/dbraw/zinc/67/84/84/978678484.db2.gz VFSPWFWPURSRQZ-KRWDZBQOSA-N 0 3 355.394 1.308 20 10 FDCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000776498602 978713296 /nfs/dbraw/zinc/71/32/96/978713296.db2.gz OXFURHJCPTZSGF-RHSMWYFYSA-N 0 3 355.456 1.617 20 10 FDCDHN C[C@H](O)CNc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC000882880232 981770758 /nfs/dbraw/zinc/77/07/58/981770758.db2.gz IOYWBWXVUUJUHO-HNNXBMFYSA-N 0 3 356.474 1.633 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)Cn3cnc4nccnc43)CC2)cc1 ZINC000871986830 987411052 /nfs/dbraw/zinc/41/10/52/987411052.db2.gz JNOHJFWAHGNTTP-INIZCTEOSA-N 0 3 368.441 1.018 20 10 FDCDHN CN1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000298994433 988017391 /nfs/dbraw/zinc/01/73/91/988017391.db2.gz RVTYJVYDSAIXGS-UHFFFAOYSA-N 0 3 364.465 1.634 20 10 FDCDHN CN(C)CCn1nccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000297326598 989515554 /nfs/dbraw/zinc/51/55/54/989515554.db2.gz ITAQNEFWQNWYAU-UHFFFAOYSA-N 0 3 372.473 1.603 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)Cn3ccnc3C)cc2F)CC1 ZINC000297789253 989692425 /nfs/dbraw/zinc/69/24/25/989692425.db2.gz MBGCBGJHJPHSQD-UHFFFAOYSA-N 0 3 359.449 1.789 20 10 FDCDHN CCO[C@H]1C[C@@](CO)(NCC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000298615166 990197534 /nfs/dbraw/zinc/19/75/34/990197534.db2.gz UERASMLGUXNFCS-PXNSSMCTSA-N 0 3 363.502 1.525 20 10 FDCDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)CCN3C)c1 ZINC000372410590 991087160 /nfs/dbraw/zinc/08/71/60/991087160.db2.gz CBECCQUMIUSOAY-UHFFFAOYSA-N 0 3 366.465 1.995 20 10 FDCDHN O=C1[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1CC(F)(F)F ZINC000877026636 993018463 /nfs/dbraw/zinc/01/84/63/993018463.db2.gz FVKIZAFJHYHABT-INIZCTEOSA-N 0 3 371.403 1.901 20 10 FDCDHN O=C(NC1CC1)N[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877352125 993238367 /nfs/dbraw/zinc/23/83/67/993238367.db2.gz BLYBPDZUYSXOKL-KRWDZBQOSA-N 0 3 358.486 1.684 20 10 FDCDHN CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879648984 995135445 /nfs/dbraw/zinc/13/54/45/995135445.db2.gz IODLFFMVRJMMSZ-KFWWJZLASA-N 0 3 368.499 1.857 20 10 FDCDHN C[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1[O-] ZINC000879652344 995137021 /nfs/dbraw/zinc/13/70/21/995137021.db2.gz YPZALWROJVAIOI-HNNXBMFYSA-N 0 3 359.470 1.904 20 10 FDCDHN COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CN4CCCCC4)C3=O)C2)cc1 ZINC000924980369 995208144 /nfs/dbraw/zinc/20/81/44/995208144.db2.gz VLGVTQISPBJWMS-FUHWJXTLSA-N 0 3 372.469 1.680 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2C[C@@H](O)CN2C)cc1 ZINC000924994327 995220401 /nfs/dbraw/zinc/22/04/01/995220401.db2.gz TXDGWKJZGKYSQV-WOJBJXKFSA-N 0 3 369.465 1.630 20 10 FDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCN1C1CCOCC1 ZINC000925447744 995605496 /nfs/dbraw/zinc/60/54/96/995605496.db2.gz URVGBAJCUTZNQY-MRXNPFEDSA-N 0 3 359.426 1.410 20 10 FDCDHN CC1(C)NC(=O)N(CCN(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000264737762 997588940 /nfs/dbraw/zinc/58/89/40/997588940.db2.gz SPFVXVUPXGFNCD-HNNXBMFYSA-N 0 3 361.442 1.704 20 10 FDCDHN CC1(C)NC(=O)N(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1=O ZINC000264737762 997588944 /nfs/dbraw/zinc/58/89/44/997588944.db2.gz SPFVXVUPXGFNCD-HNNXBMFYSA-N 0 3 361.442 1.704 20 10 FDCDHN CC1(C)NC(=O)N(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1=O ZINC000264737762 997588950 /nfs/dbraw/zinc/58/89/50/997588950.db2.gz SPFVXVUPXGFNCD-HNNXBMFYSA-N 0 3 361.442 1.704 20 10 FDCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000284414141 999828089 /nfs/dbraw/zinc/82/80/89/999828089.db2.gz XKMLFIBUGBRGIB-CQSZACIVSA-N 0 3 364.465 1.356 20 10 FDCDHN CN(CCn1nc2ccccn2c1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000076549256 1002520516 /nfs/dbraw/zinc/52/05/16/1002520516.db2.gz LUWVFPPFQNQWRM-UHFFFAOYSA-N 0 3 367.453 1.465 20 10 FDCDHN CC(C)=CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000930330801 1003027550 /nfs/dbraw/zinc/02/75/50/1003027550.db2.gz OGCLUAADNGEPLY-SFHVURJKSA-N 0 3 360.502 1.944 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccn(C)c(=O)c2)N(C)C)cc1 ZINC000931636688 1004345310 /nfs/dbraw/zinc/34/53/10/1004345310.db2.gz NAGNRUTUCWEKEQ-KRWDZBQOSA-N 0 3 357.458 1.876 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cc(=O)n(C)cn2)N(C)C)cc1 ZINC000931757486 1004475134 /nfs/dbraw/zinc/47/51/34/1004475134.db2.gz VEMFPGGXBQQWNP-OAHLLOKOSA-N 0 3 358.446 1.271 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)CC3CCOCC3)CC2)cc1 ZINC000155932208 1006743333 /nfs/dbraw/zinc/74/33/33/1006743333.db2.gz DIDRYTTUVYGOHC-UHFFFAOYSA-N 0 3 361.486 1.702 20 10 FDCDHN CN(C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)S(C)(=O)=O ZINC000795651657 1007336874 /nfs/dbraw/zinc/33/68/74/1007336874.db2.gz IMKSTDYEDFVWOM-LBPRGKRZSA-N 0 3 356.444 1.224 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000055166072 523758411 /nfs/dbraw/zinc/75/84/11/523758411.db2.gz XRHMJMWEMZVSPR-UHFFFAOYSA-N 0 3 353.444 1.120 20 10 FDCDHN CCS(=O)(=O)NCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000151677381 524652297 /nfs/dbraw/zinc/65/22/97/524652297.db2.gz DXHHLTHAFMXDKU-INIZCTEOSA-N 0 3 356.488 1.703 20 10 FDCDHN CCS(=O)(=O)NCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000151677381 524652307 /nfs/dbraw/zinc/65/23/07/524652307.db2.gz DXHHLTHAFMXDKU-INIZCTEOSA-N 0 3 356.488 1.703 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)CCCn3ccnc3)CC2)cc1 ZINC000124443139 524989703 /nfs/dbraw/zinc/98/97/03/524989703.db2.gz QBGKGUMPERZLCC-UHFFFAOYSA-N 0 3 371.485 1.562 20 10 FDCDHN CC[C@@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034026 525793654 /nfs/dbraw/zinc/79/36/54/525793654.db2.gz OGLUWFLDCBQYHV-UYAOXDASSA-N 0 3 374.529 1.726 20 10 FDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000119689964 525830498 /nfs/dbraw/zinc/83/04/98/525830498.db2.gz QOWRAKSXVPYJHV-LBPRGKRZSA-N 0 3 350.440 1.942 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4OCCC[C@H]4C3)CC2)cc1 ZINC000246829552 537035502 /nfs/dbraw/zinc/03/55/02/537035502.db2.gz SMAZZJHVEDVKII-PXNSSMCTSA-N 0 3 373.497 1.845 20 10 FDCDHN CCN1CCN(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000263701849 537071675 /nfs/dbraw/zinc/07/16/75/537071675.db2.gz SKJSNEUGLCAJNG-UHFFFAOYSA-N 0 3 374.529 1.509 20 10 FDCDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000276232420 537350283 /nfs/dbraw/zinc/35/02/83/537350283.db2.gz KSBBRSKTWLWCKJ-HXUWFJFHSA-N 0 3 372.513 1.846 20 10 FDCDHN CCN1CCC(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000283243348 537360490 /nfs/dbraw/zinc/36/04/90/537360490.db2.gz AYHNCWVNVLVJLU-UHFFFAOYSA-N 0 3 358.486 1.286 20 10 FDCDHN CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000283337296 537371694 /nfs/dbraw/zinc/37/16/94/537371694.db2.gz GQWICGMRNIRTLY-UHFFFAOYSA-N 0 3 358.486 1.504 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000299099993 537444107 /nfs/dbraw/zinc/44/41/07/537444107.db2.gz RKPLFHDUXJWNDB-UHFFFAOYSA-N 0 3 367.471 1.368 20 10 FDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000299259962 537519976 /nfs/dbraw/zinc/51/99/76/537519976.db2.gz FEVKKKCPUMMIPQ-STQMWFEESA-N 0 3 350.415 1.484 20 10 FDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000299259962 537519986 /nfs/dbraw/zinc/51/99/86/537519986.db2.gz FEVKKKCPUMMIPQ-STQMWFEESA-N 0 3 350.415 1.484 20 10 FDCDHN CN1CCN(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1(C)C ZINC000281933864 537593223 /nfs/dbraw/zinc/59/32/23/537593223.db2.gz SSJLVIFAENWVNP-UHFFFAOYSA-N 0 3 371.529 1.888 20 10 FDCDHN CCOc1cccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1O ZINC000285520376 537725959 /nfs/dbraw/zinc/72/59/59/537725959.db2.gz OXGUTBXWKQBEOT-CQSZACIVSA-N 0 3 354.472 1.837 20 10 FDCDHN CCOc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1[O-] ZINC000285520376 537725960 /nfs/dbraw/zinc/72/59/60/537725960.db2.gz OXGUTBXWKQBEOT-CQSZACIVSA-N 0 3 354.472 1.837 20 10 FDCDHN C[NH+]1CCC2(CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000376810216 537913718 /nfs/dbraw/zinc/91/37/18/537913718.db2.gz GVJLSQAJHLTIFD-UHFFFAOYSA-N 0 3 367.471 1.464 20 10 FDCDHN COc1ccc(O)c(CNCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000276838125 674779728 /nfs/dbraw/zinc/77/97/28/674779728.db2.gz SDJBNNVYFSAWLW-UHFFFAOYSA-N 0 3 351.424 1.457 20 10 FDCDHN O=S(=O)(CC[NH2+][C@H]1CCc2cccc([O-])c21)NC[C@@H]1CCCCO1 ZINC000296226047 676416851 /nfs/dbraw/zinc/41/68/51/676416851.db2.gz AKBJEHUGEXGEJO-GJZGRUSLSA-N 0 3 354.472 1.458 20 10 FDCDHN O=S(=O)(CC[NH2+][C@@H]1CCc2cccc([O-])c21)NC[C@@H]1CCCCO1 ZINC000296229430 676417060 /nfs/dbraw/zinc/41/70/60/676417060.db2.gz AKBJEHUGEXGEJO-LSDHHAIUSA-N 0 3 354.472 1.458 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)N(C)C)cc1 ZINC000891247062 774091153 /nfs/dbraw/zinc/09/11/53/774091153.db2.gz HAVGXEBIBAEAQQ-WBVHZDCISA-N 0 3 356.474 1.710 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)N(C)C)cc1 ZINC000891247058 774091313 /nfs/dbraw/zinc/09/13/13/774091313.db2.gz HAVGXEBIBAEAQQ-NVXWUHKLSA-N 0 3 356.474 1.710 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3cncn3C2)N(C)C)cc1 ZINC000891247083 774091450 /nfs/dbraw/zinc/09/14/50/774091450.db2.gz HEMUERWSRYLXFA-QFBILLFUSA-N 0 3 355.486 1.931 20 10 FDCDHN COc1ncc(/C=C\C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891248977 774113478 /nfs/dbraw/zinc/11/34/78/774113478.db2.gz OPOWLIBXPPPVCD-HJLMUGLJSA-N 0 3 369.469 1.984 20 10 FDCDHN CCOC(=O)NCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252060 774125343 /nfs/dbraw/zinc/12/53/43/774125343.db2.gz FLHPHIQVEDEDQB-INIZCTEOSA-N 0 3 350.463 1.608 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000891251037 774128720 /nfs/dbraw/zinc/12/87/20/774128720.db2.gz CBNUWLYBRLJZEA-SFHVURJKSA-N 0 3 370.453 1.967 20 10 FDCDHN COc1ncnc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252418 774136094 /nfs/dbraw/zinc/13/60/94/774136094.db2.gz KUZJPFAXSDLVJI-HNNXBMFYSA-N 0 3 373.457 1.593 20 10 FDCDHN COC(=O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891516207 778187643 /nfs/dbraw/zinc/18/76/43/778187643.db2.gz GBFLHUMPVWAZPH-MRXNPFEDSA-N 0 3 350.463 1.608 20 10 FDCDHN COc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c(O)c1OC ZINC000891648108 778786420 /nfs/dbraw/zinc/78/64/20/778786420.db2.gz KHPPPKRLKBZFBF-CQSZACIVSA-N 0 3 372.487 1.703 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCn3ccnc3C2)N(C)C)cc1 ZINC000894310034 816196205 /nfs/dbraw/zinc/19/62/05/816196205.db2.gz RRYYQQFZCBWNQB-SJLPKXTDSA-N 0 3 370.501 1.866 20 10 FDCDHN CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894383912 817997214 /nfs/dbraw/zinc/99/72/14/817997214.db2.gz XWAVLPUWWGTBDT-RHSMWYFYSA-N 0 3 363.506 1.521 20 10 FDCDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000895123490 820605487 /nfs/dbraw/zinc/60/54/87/820605487.db2.gz VMTWRPXASMTMME-OAHLLOKOSA-N 0 3 362.348 1.910 20 10 FDCDHN CCN1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O ZINC000895186931 821582887 /nfs/dbraw/zinc/58/28/87/821582887.db2.gz ZIEWHUQNBBDYEG-DOTOQJQBSA-N 0 3 361.490 1.275 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCN2CCCC2=O)N(C)C)cc1 ZINC000895560452 822652012 /nfs/dbraw/zinc/65/20/12/822652012.db2.gz ZRCNOKCLBGPTHM-QGZVFWFLSA-N 0 3 361.490 1.277 20 10 FDCDHN COC(=O)C1=CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895969037 823848008 /nfs/dbraw/zinc/84/80/08/823848008.db2.gz IXQWDLWXSLIBBJ-SJLPKXTDSA-N 0 3 374.485 1.916 20 10 FDCDHN COC(=O)C1CC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000896208547 824202620 /nfs/dbraw/zinc/20/26/20/824202620.db2.gz DNKNZGSDHWFNLH-VMBOVVBDSA-N 0 3 362.474 1.606 20 10 FDCDHN CN(C)c1n[nH]c(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000896415379 824395563 /nfs/dbraw/zinc/39/55/63/824395563.db2.gz MBYYXQVICZSDBC-HNNXBMFYSA-N 0 3 374.493 1.039 20 10 FDCDHN Cc1cccc(CNCC(=O)NCC(=O)N(C)Cc2ccccc2)c1O ZINC000896886184 825645829 /nfs/dbraw/zinc/64/58/29/825645829.db2.gz UDEYYVCQPAJZHV-UHFFFAOYSA-N 0 3 355.438 1.565 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000898156638 840835241 /nfs/dbraw/zinc/83/52/41/840835241.db2.gz FBENSPSRNLTFOW-GFCCVEGCSA-N 0 3 350.806 1.918 20 10 FDCDHN COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1c(C)cccc1[O-])CCS2(=O)=O ZINC000898486411 844773795 /nfs/dbraw/zinc/77/37/95/844773795.db2.gz CWNWYEADUOPRDO-FVRSWCFKSA-N 0 3 367.467 1.689 20 10 FDCDHN CSC[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101924 845774516 /nfs/dbraw/zinc/77/45/16/845774516.db2.gz NEJWTTPYOJFLHD-SJLPKXTDSA-N 0 3 368.547 1.769 20 10 FDCDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842236220 845847920 /nfs/dbraw/zinc/84/79/20/845847920.db2.gz NAPDRMCOJWWNIX-UHFFFAOYSA-N 0 3 358.442 1.111 20 10 FDCDHN NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cc2)CC1 ZINC000899472812 846276095 /nfs/dbraw/zinc/27/60/95/846276095.db2.gz KSLJMPMGVWELFJ-LJQANCHMSA-N 0 3 370.497 1.631 20 10 FDCDHN O[C@@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1(O)CCCC1 ZINC000905283856 851815307 /nfs/dbraw/zinc/81/53/07/851815307.db2.gz IQDIVPBFZCRYFM-INIZCTEOSA-N 0 3 356.413 1.557 20 10 FDCDHN COC[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265833359 873538522 /nfs/dbraw/zinc/53/85/22/873538522.db2.gz UXZSMHITURDAST-MRXNPFEDSA-N 0 3 365.449 1.247 20 10 FDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3cc(OC)c(C)cc3O)C2)nn1 ZINC000762463981 875966564 /nfs/dbraw/zinc/96/65/64/875966564.db2.gz OOHMGWFNPJDUOW-AWEZNQCLSA-N 0 3 360.414 1.924 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@@H+]1CCCC[C@@H]1C ZINC000920448954 886940733 /nfs/dbraw/zinc/94/07/33/886940733.db2.gz TUUQMJWOHBLBJM-QWHCGFSZSA-N 0 3 369.487 1.756 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@H+]1CCCC[C@@H]1C ZINC000920448954 886940743 /nfs/dbraw/zinc/94/07/43/886940743.db2.gz TUUQMJWOHBLBJM-QWHCGFSZSA-N 0 3 369.487 1.756 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCN(Cc3ccco3)CC2)c1 ZINC000182334286 892582378 /nfs/dbraw/zinc/58/23/78/892582378.db2.gz KZVKYHJBMSBNKF-HNNXBMFYSA-N 0 3 373.453 1.989 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734285332 923182346 /nfs/dbraw/zinc/18/23/46/923182346.db2.gz KFGYCRINPWSESG-KRWDZBQOSA-N 0 3 358.486 1.901 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000788951750 932886979 /nfs/dbraw/zinc/88/69/79/932886979.db2.gz RTNBYCPAVWLXDW-GOSISDBHSA-N 0 3 372.513 1.750 20 10 FDCDHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000804392913 938412036 /nfs/dbraw/zinc/41/20/36/938412036.db2.gz UQDIIYNBLYIDRC-UHFFFAOYSA-N 0 3 363.441 1.913 20 10 FDCDHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804778620 938566165 /nfs/dbraw/zinc/56/61/65/938566165.db2.gz XRDJPZFZZLDSAE-ZDUSSCGKSA-N 0 3 355.460 1.368 20 10 FDCDHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804778620 938566167 /nfs/dbraw/zinc/56/61/67/938566167.db2.gz XRDJPZFZZLDSAE-ZDUSSCGKSA-N 0 3 355.460 1.368 20 10 FDCDHN C[C@H](NC(=O)C(=O)NCCCSc1nccs1)C1=CCN(C)CC1 ZINC000806282644 939880765 /nfs/dbraw/zinc/88/07/65/939880765.db2.gz PDXRUZVUTPDZRO-LBPRGKRZSA-N 0 3 368.528 1.508 20 10 FDCDHN COc1cccc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783568 940902278 /nfs/dbraw/zinc/90/22/78/940902278.db2.gz ABRIDIDEFTUEGL-CYBMUJFWSA-N 0 3 354.472 1.695 20 10 FDCDHN COc1ccc(N2CCN(C(=O)Cn3cc4c(n3)[C@@H](N)CCC4)CC2)cc1 ZINC000818618486 943305588 /nfs/dbraw/zinc/30/55/88/943305588.db2.gz OEAARLRAOUSFTP-SFHVURJKSA-N 0 3 369.469 1.577 20 10 FDCDHN CC(C)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)N1CCN(C)CC1 ZINC000819165952 943456581 /nfs/dbraw/zinc/45/65/81/943456581.db2.gz ILERGMJALCUKNU-KRWDZBQOSA-N 0 3 374.485 1.428 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3occc3C)CC2)cc1 ZINC000819329337 943529712 /nfs/dbraw/zinc/52/97/12/943529712.db2.gz UJHNOJAEBFHXGN-SFHVURJKSA-N 0 3 359.470 1.869 20 10 FDCDHN CC(C)COC[C@@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819360279 943541950 /nfs/dbraw/zinc/54/19/50/943541950.db2.gz KZRWVMLKPCHKGX-HNNXBMFYSA-N 0 3 358.429 1.925 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774690241 963313412 /nfs/dbraw/zinc/31/34/12/963313412.db2.gz PQUPUYJEEPIZON-ZENOOKHLSA-N 0 3 351.399 1.361 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774690241 963313419 /nfs/dbraw/zinc/31/34/19/963313419.db2.gz PQUPUYJEEPIZON-ZENOOKHLSA-N 0 3 351.399 1.361 20 10 FDCDHN COc1ccc(N2CCN(CCNCc3cc(C(N)=O)cs3)CC2)cc1 ZINC001177515236 963859573 /nfs/dbraw/zinc/85/95/73/963859573.db2.gz IGXAYKDBGXUZDR-UHFFFAOYSA-N 0 3 374.510 1.767 20 10 FDCDHN C[C@@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775257336 967017240 /nfs/dbraw/zinc/01/72/40/967017240.db2.gz HLSYREXCKVRVRO-OAHLLOKOSA-N 0 3 374.485 1.942 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)C2)cc1 ZINC000852844735 967651445 /nfs/dbraw/zinc/65/14/45/967651445.db2.gz ZHELTHOAVQPUMV-CBJWQOIJSA-N 0 3 373.497 1.923 20 10 FDCDHN CCN1CCN(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000101658145 970695659 /nfs/dbraw/zinc/69/56/59/970695659.db2.gz DPPFNZPUDQHWDD-GOSISDBHSA-N 0 3 374.529 1.728 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3ccc[nH]c3=O)CC2)cc1 ZINC000863585371 973036457 /nfs/dbraw/zinc/03/64/57/973036457.db2.gz WXKQHLXRKHIFRA-SFHVURJKSA-N 0 3 372.469 1.069 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848352236 976671489 /nfs/dbraw/zinc/67/14/89/976671489.db2.gz NPIXKDQFYFGLBB-HUUCEWRRSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848352236 976671497 /nfs/dbraw/zinc/67/14/97/976671497.db2.gz NPIXKDQFYFGLBB-HUUCEWRRSA-N 0 3 367.471 1.510 20 10 FDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(N)CC4(CCC4)C3)cc2)C1 ZINC000851629708 978978662 /nfs/dbraw/zinc/97/86/62/978978662.db2.gz VDBXEBBFAZAMKJ-INIZCTEOSA-N 0 3 370.497 1.666 20 10 FDCDHN COc1cc(O)c(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826181281 979431692 /nfs/dbraw/zinc/43/16/92/979431692.db2.gz SNGBPDWTHFBASC-UHFFFAOYSA-N 0 3 371.397 1.758 20 10 FDCDHN Nc1nc(N)nc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000858428152 982045927 /nfs/dbraw/zinc/04/59/27/982045927.db2.gz OWNMCAPBNLVFSU-SECBINFHSA-N 0 3 351.361 1.718 20 10 FDCDHN COc1cc([N+](=O)[O-])c(N2CC(CN3CCN(C)CC3)C2)cc1OC ZINC000858610312 982149040 /nfs/dbraw/zinc/14/90/40/982149040.db2.gz AVUAPACRYBBPJQ-UHFFFAOYSA-N 0 3 350.419 1.296 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)Cn3cncc3C)cc2F)CC1 ZINC000859261734 982655801 /nfs/dbraw/zinc/65/58/01/982655801.db2.gz RJGVFZHSUKQPQO-UHFFFAOYSA-N 0 3 359.449 1.789 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H]3CCC[C@]3(CO)C1)cc2=O ZINC000859922664 983093032 /nfs/dbraw/zinc/09/30/32/983093032.db2.gz AGMRVMFZXFOABW-KPZWWZAWSA-N 0 3 360.414 1.206 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@]4(C3)CCCOC4)CC2)cc1 ZINC000368498268 988995880 /nfs/dbraw/zinc/99/58/80/988995880.db2.gz GKLQKTUCTQNVKE-OAQYLSRUSA-N 0 3 373.497 1.846 20 10 FDCDHN CN(C)c1ccc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374323325 992771421 /nfs/dbraw/zinc/77/14/21/992771421.db2.gz HKVAEWHVDXAKHO-GOSISDBHSA-N 0 3 357.414 1.617 20 10 FDCDHN COC[C@@]1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCCCN1 ZINC000876742147 992858970 /nfs/dbraw/zinc/85/89/70/992858970.db2.gz RFTZSBZDSZQFAX-OXQOHEQNSA-N 0 3 361.486 1.859 20 10 FDCDHN CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2ccccc2[O-])CC1 ZINC000264996258 997670135 /nfs/dbraw/zinc/67/01/35/997670135.db2.gz YDVWEXZBPVRSOF-UHFFFAOYSA-N 0 3 363.458 1.999 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC1CCOCC1)C[C@H]1CCCO1 ZINC000268012876 999412704 /nfs/dbraw/zinc/41/27/04/999412704.db2.gz RRGNBBGAJOXYKH-PKOBYXMFSA-N 0 3 365.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC1CCOCC1)C[C@H]1CCCO1 ZINC000268012876 999412707 /nfs/dbraw/zinc/41/27/07/999412707.db2.gz RRGNBBGAJOXYKH-PKOBYXMFSA-N 0 3 365.470 1.930 20 10 FDCDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283314890 999748490 /nfs/dbraw/zinc/74/84/90/999748490.db2.gz BRHLQGOLTQHYFE-HOTGVXAUSA-N 0 3 360.502 1.605 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc[nH]1 ZINC000930231645 1002951435 /nfs/dbraw/zinc/95/14/35/1002951435.db2.gz BXTDCVSFLQCJLP-KDOFPFPSSA-N 0 3 371.485 1.677 20 10 FDCDHN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000931122861 1003904050 /nfs/dbraw/zinc/90/40/50/1003904050.db2.gz ZLKOIDGENOIRKA-SFHVURJKSA-N 0 3 372.469 1.689 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccn(C)c(=O)c2)N(C)C)cc1 ZINC000931636689 1004344830 /nfs/dbraw/zinc/34/48/30/1004344830.db2.gz NAGNRUTUCWEKEQ-QGZVFWFLSA-N 0 3 357.458 1.876 20 10 FDCDHN CC(C)n1nnc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000933454657 1005560908 /nfs/dbraw/zinc/56/09/08/1005560908.db2.gz XQBHPYHDMXJZPA-OAHLLOKOSA-N 0 3 360.466 1.744 20 10 FDCDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000090182694 524588640 /nfs/dbraw/zinc/58/86/40/524588640.db2.gz IASAFRMOJWKAEI-OAHLLOKOSA-N 0 3 352.500 1.999 20 10 FDCDHN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCOC1 ZINC000178369352 525418485 /nfs/dbraw/zinc/41/84/85/525418485.db2.gz QVVVEYIUWBJNGY-INIZCTEOSA-N 0 3 365.449 1.247 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](F)CN3)cc2F)CC1 ZINC000188798452 536951665 /nfs/dbraw/zinc/95/16/65/536951665.db2.gz MRUQHPBVFFNMEB-GOEBONIOSA-N 0 3 352.429 1.284 20 10 FDCDHN COc1c([O-])c(C[NH2+][C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278295238 537294563 /nfs/dbraw/zinc/29/45/63/537294563.db2.gz CBXWCRNEWSWGRX-ZDUSSCGKSA-N 0 3 352.435 1.425 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3[C@H]3CCCO3)CC2)cc1 ZINC000284809215 537566774 /nfs/dbraw/zinc/56/67/74/537566774.db2.gz PCZIOJCLNFEVFJ-WOJBJXKFSA-N 0 3 373.497 1.987 20 10 FDCDHN Cc1ccc([O-])c(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000295078468 537710382 /nfs/dbraw/zinc/71/03/82/537710382.db2.gz QACLXVQYXZUNCX-UHFFFAOYSA-N 0 3 363.483 1.916 20 10 FDCDHN Cc1ccc([O-])c(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000295078468 537710384 /nfs/dbraw/zinc/71/03/84/537710384.db2.gz QACLXVQYXZUNCX-UHFFFAOYSA-N 0 3 363.483 1.916 20 10 FDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000295139006 537710899 /nfs/dbraw/zinc/71/08/99/537710899.db2.gz ZFXPUYFZCWCGRI-LBPRGKRZSA-N 0 3 365.293 1.881 20 10 FDCDHN CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000266604978 673156895 /nfs/dbraw/zinc/15/68/95/673156895.db2.gz VZDZMWYDBRUQGW-CYBMUJFWSA-N 0 3 369.487 1.568 20 10 FDCDHN C[C@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000296382239 676418168 /nfs/dbraw/zinc/41/81/68/676418168.db2.gz JPQIIDJUURPARC-YJBOKZPZSA-N 0 3 352.500 1.877 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccn3nnnc23)N(C)C)cc1 ZINC000891245847 774082769 /nfs/dbraw/zinc/08/27/69/774082769.db2.gz JUSSKYRFLBWRMK-MRXNPFEDSA-N 0 3 353.430 1.223 20 10 FDCDHN CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000891250303 774123480 /nfs/dbraw/zinc/12/34/80/774123480.db2.gz WKLOQHLXZZUJMZ-MSOLQXFVSA-N 0 3 359.474 1.593 20 10 FDCDHN Cc1nn(C)c(C)c1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252740 774136793 /nfs/dbraw/zinc/13/67/93/774136793.db2.gz NIPOXBZWTZANNB-GOSISDBHSA-N 0 3 373.501 1.901 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@]13C[C@H]1COC31CCC1)cc2=O ZINC000933392228 777988881 /nfs/dbraw/zinc/98/88/81/777988881.db2.gz YQCDOPIDAJOZGV-BBATYDOGSA-N 0 3 358.398 1.413 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](OC)CC3)CC2)cc1 ZINC000376070222 785757208 /nfs/dbraw/zinc/75/72/08/785757208.db2.gz SVVYUUKRGLJRDP-SFHVURJKSA-N 0 3 361.486 1.845 20 10 FDCDHN C[C@@H](Cn1cncn1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892567186 787345205 /nfs/dbraw/zinc/34/52/05/787345205.db2.gz CAFQHXQLBLNDQU-WMLDXEAASA-N 0 3 359.478 1.335 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000893461892 804034065 /nfs/dbraw/zinc/03/40/65/804034065.db2.gz ADYRAMFMHDGQFG-MAUKXSAKSA-N 0 3 373.501 1.418 20 10 FDCDHN COc1cc(C)cc(CN2CCCN(CC(=O)N3CCCC3)CC2)c1O ZINC000893928688 809819056 /nfs/dbraw/zinc/81/90/56/809819056.db2.gz XOZNWFXVSUXQKX-UHFFFAOYSA-N 0 3 361.486 1.839 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2COC(C)(C)O2)N(C)C)cc1 ZINC000894118603 810125799 /nfs/dbraw/zinc/12/57/99/810125799.db2.gz BEFYAHSWRQCWPV-DLBZAZTESA-N 0 3 364.490 1.806 20 10 FDCDHN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C1=CCN(C)CC1 ZINC000272886761 814783078 /nfs/dbraw/zinc/78/30/78/814783078.db2.gz YRJIQXCTCWEKMR-INIZCTEOSA-N 0 3 358.486 1.973 20 10 FDCDHN COc1cc(C)cc(CNCCS(=O)(=O)NC[C@@H]2CCCCO2)c1O ZINC000894276973 814898833 /nfs/dbraw/zinc/89/88/33/814898833.db2.gz ZDMBNLIRZYIWIQ-HNNXBMFYSA-N 0 3 372.487 1.287 20 10 FDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000841722570 835227107 /nfs/dbraw/zinc/22/71/07/835227107.db2.gz OSTGBSORABPLBE-ZMSDIMECSA-N 0 3 373.501 1.280 20 10 FDCDHN C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)N(C)Cc1ccccc1 ZINC000842041227 840824534 /nfs/dbraw/zinc/82/45/34/840824534.db2.gz WVGXUKVKFILEKV-MRXNPFEDSA-N 0 3 368.481 1.564 20 10 FDCDHN CCOCc1cc(CN[C@H]2CN(C(=O)OCC)C[C@H]2CO)ccc1OC ZINC000898359312 840965673 /nfs/dbraw/zinc/96/56/73/840965673.db2.gz OYALETGDPLKGCB-IRXDYDNUSA-N 0 3 366.458 1.771 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1F ZINC000842148398 844986425 /nfs/dbraw/zinc/98/64/25/844986425.db2.gz NETAIUSTQVDUJO-INIZCTEOSA-N 0 3 358.417 1.324 20 10 FDCDHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2 ZINC000898842880 845333815 /nfs/dbraw/zinc/33/38/15/845333815.db2.gz YCNCJBYYVQGSOB-CABCVRRESA-N 0 3 367.471 1.366 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1F ZINC000842210393 845622751 /nfs/dbraw/zinc/62/27/51/845622751.db2.gz ZVYQUOYOXAHQHC-UHFFFAOYSA-N 0 3 350.438 1.110 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C3CCC2(C(N)=O)CC3)N(C)C)cc1 ZINC000899095777 845756371 /nfs/dbraw/zinc/75/63/71/845756371.db2.gz MDZYIDRHWXPMLD-OHTSDLOESA-N 0 3 373.501 1.547 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)C(F)(F)F)N(C)C)cc1 ZINC000899102824 845775260 /nfs/dbraw/zinc/77/52/60/845775260.db2.gz SJDMXARVWXUESL-UONOGXRCSA-N 0 3 362.396 1.578 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C3CC3)CC2)N(C)C)cc1 ZINC000899103343 845775536 /nfs/dbraw/zinc/77/55/36/845775536.db2.gz ZRJCQUAUZDLVBE-LJQANCHMSA-N 0 3 359.518 1.845 20 10 FDCDHN CC(C)[C@H](CO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105801 845780417 /nfs/dbraw/zinc/78/04/17/845780417.db2.gz ZAIUORJNOWTTQK-FUHWJXTLSA-N 0 3 350.507 1.919 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](O)C(F)(F)C2)N(C)C)cc1 ZINC000899099144 845793777 /nfs/dbraw/zinc/79/37/77/845793777.db2.gz WBGYVCLEHJTZAQ-CVEARBPZSA-N 0 3 370.444 1.767 20 10 FDCDHN COC[C@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100610 845797918 /nfs/dbraw/zinc/79/79/18/845797918.db2.gz AYTQPBMVDCFSLT-IAGOWNOFSA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)[C@H]2CCN(C)C2=O)N(C)C)cc1 ZINC000899101154 845798891 /nfs/dbraw/zinc/79/88/91/845798891.db2.gz FOGNUUAKZPPAAW-IRXDYDNUSA-N 0 3 361.490 1.227 20 10 FDCDHN CC[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000910282905 857030837 /nfs/dbraw/zinc/03/08/37/857030837.db2.gz WRQHNVJFGCWPGO-LBPRGKRZSA-N 0 3 355.460 1.320 20 10 FDCDHN CC[N@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000910282905 857030851 /nfs/dbraw/zinc/03/08/51/857030851.db2.gz WRQHNVJFGCWPGO-LBPRGKRZSA-N 0 3 355.460 1.320 20 10 FDCDHN CC[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000910282904 857031468 /nfs/dbraw/zinc/03/14/68/857031468.db2.gz WRQHNVJFGCWPGO-GFCCVEGCSA-N 0 3 355.460 1.320 20 10 FDCDHN CC[N@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000910282904 857031479 /nfs/dbraw/zinc/03/14/79/857031479.db2.gz WRQHNVJFGCWPGO-GFCCVEGCSA-N 0 3 355.460 1.320 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000807101448 940250293 /nfs/dbraw/zinc/25/02/93/940250293.db2.gz YMDTWTSXUVBHAH-SFHVURJKSA-N 0 3 374.529 1.914 20 10 FDCDHN C[C@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000807679449 940454631 /nfs/dbraw/zinc/45/46/31/940454631.db2.gz RVVZPJIDLLPETL-GJZGRUSLSA-N 0 3 358.486 1.696 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000813330635 941366502 /nfs/dbraw/zinc/36/65/02/941366502.db2.gz BLUOWFRJSJAJCQ-CQSZACIVSA-N 0 3 357.458 1.793 20 10 FDCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000817830458 943038147 /nfs/dbraw/zinc/03/81/47/943038147.db2.gz AJYVIIGTTZVJDC-LJQANCHMSA-N 0 3 370.497 1.620 20 10 FDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817894581 943068072 /nfs/dbraw/zinc/06/80/72/943068072.db2.gz NCGUQJQDOHKWGN-RBUKOAKNSA-N 0 3 361.486 1.279 20 10 FDCDHN CCc1ncc(CNC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000819358076 943540505 /nfs/dbraw/zinc/54/05/05/943540505.db2.gz YWRWUDCATUJHSR-KRWDZBQOSA-N 0 3 374.485 1.518 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)c3cnccc3N)cc2F)CC1 ZINC000844190357 947826933 /nfs/dbraw/zinc/82/69/33/947826933.db2.gz KBARWSSTWZCVAC-UHFFFAOYSA-N 0 3 357.433 1.705 20 10 FDCDHN C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)CN1CCN(C)CC1 ZINC000845013759 948590294 /nfs/dbraw/zinc/59/02/94/948590294.db2.gz VJWXHYLIGSZWHL-CYBMUJFWSA-N 0 3 354.882 1.728 20 10 FDCDHN COc1cc(C)nc(N(C(=O)c2cc(O)c([O-])c(O)c2)C2CC[NH2+]CC2)n1 ZINC001148588072 952760075 /nfs/dbraw/zinc/76/00/75/952760075.db2.gz NJYXFWJUHPAFDJ-UHFFFAOYSA-N 0 3 374.397 1.309 20 10 FDCDHN COc1ccc(N2CCN([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC2)c(OC)c1 ZINC001172187522 961509397 /nfs/dbraw/zinc/50/93/97/961509397.db2.gz YQPYNLUAWBILPC-HZPDHXFCSA-N 0 3 359.470 1.979 20 10 FDCDHN Cc1cc(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000775259164 967025436 /nfs/dbraw/zinc/02/54/36/967025436.db2.gz GBBZFSXWPCBHCX-OAHLLOKOSA-N 0 3 357.458 1.854 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN(C)Cc3c[nH]cn3)CC2)cc1 ZINC000852288688 967190092 /nfs/dbraw/zinc/19/00/92/967190092.db2.gz RWJZMOZRKCGDQG-SFHVURJKSA-N 0 3 359.474 1.033 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3C[C@H](O)C34CCC4)CC2)cc1 ZINC000852586365 967448240 /nfs/dbraw/zinc/44/82/40/967448240.db2.gz QLJYUVMMAHCBST-MSOLQXFVSA-N 0 3 359.470 1.237 20 10 FDCDHN CCOC(=O)N1CCN(C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775835513 972946854 /nfs/dbraw/zinc/94/68/54/972946854.db2.gz UCBOEWYHVIINEX-HNNXBMFYSA-N 0 3 362.474 1.704 20 10 FDCDHN O=c1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)[nH]c2ccnn21 ZINC000109761688 978789961 /nfs/dbraw/zinc/78/99/61/978789961.db2.gz NLMONUFAWMFOLZ-MRXNPFEDSA-N 0 3 354.410 1.909 20 10 FDCDHN Cc1ccc(O)c(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000858283648 981961227 /nfs/dbraw/zinc/96/12/27/981961227.db2.gz NBULXTRRFCBKST-INIZCTEOSA-N 0 3 362.474 1.443 20 10 FDCDHN Cc1nccn1CCCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883156729 981986618 /nfs/dbraw/zinc/98/66/18/981986618.db2.gz XJCGWSNUIMPANL-UHFFFAOYSA-N 0 3 370.501 1.833 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000859276038 982672361 /nfs/dbraw/zinc/67/23/61/982672361.db2.gz DIGDMNOWLMPKPA-LJQANCHMSA-N 0 3 372.513 1.844 20 10 FDCDHN CN1CCCc2cc(CNC(=O)C(=O)N3CCNCCC34CCC4)ccc21 ZINC000884521375 983216982 /nfs/dbraw/zinc/21/69/82/983216982.db2.gz VNTGEKDYNRZREM-UHFFFAOYSA-N 0 3 370.497 1.430 20 10 FDCDHN COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)c(O)c1 ZINC000861502509 983751150 /nfs/dbraw/zinc/75/11/50/983751150.db2.gz MJESKWULFVPDJC-UHFFFAOYSA-N 0 3 371.393 1.138 20 10 FDCDHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c([O-])cccc1Br ZINC000862399787 984374646 /nfs/dbraw/zinc/37/46/46/984374646.db2.gz CIPOJXYGMBPRLF-LLVKDONJSA-N 0 3 356.264 1.707 20 10 FDCDHN CN(C)S(=O)(=O)C1(CNCc2ccc(N3CCOCC3)cc2)CC1 ZINC000886322270 986068992 /nfs/dbraw/zinc/06/89/92/986068992.db2.gz VLAYZVHFZKQQLG-UHFFFAOYSA-N 0 3 353.488 1.037 20 10 FDCDHN NC(=O)C1CCN(c2ccc(CNCc3cnc4cnccn34)cc2)CC1 ZINC000886324878 986072603 /nfs/dbraw/zinc/07/26/03/986072603.db2.gz KKILTNRPOGYBEA-UHFFFAOYSA-N 0 3 364.453 1.721 20 10 FDCDHN CCC1([NH+](C)C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000870573710 986128889 /nfs/dbraw/zinc/12/88/89/986128889.db2.gz OOUHPDKAZCISNN-UHFFFAOYSA-N 0 3 369.487 1.710 20 10 FDCDHN CCn1nc(C)c(CNCCCN2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000294817457 988545235 /nfs/dbraw/zinc/54/52/35/988545235.db2.gz QXGXFLOLOHRYHY-UHFFFAOYSA-N 0 3 372.517 1.917 20 10 FDCDHN COc1cc(O)c(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1OC ZINC000295088205 988605287 /nfs/dbraw/zinc/60/52/87/988605287.db2.gz IZNQQZYNJBQVIK-ZDUSSCGKSA-N 0 3 370.446 1.727 20 10 FDCDHN CCCOc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c([O-])c1 ZINC000371332959 990364330 /nfs/dbraw/zinc/36/43/30/990364330.db2.gz SEUDFPAHLPJPJT-IBGZPJMESA-N 0 3 361.442 1.991 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000875006369 990718536 /nfs/dbraw/zinc/71/85/36/990718536.db2.gz JBFLXWAAFRPGKL-SFHVURJKSA-N 0 3 358.486 1.502 20 10 FDCDHN CC(C)NS(=O)(=O)CCNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877020728 993015020 /nfs/dbraw/zinc/01/50/20/993015020.db2.gz DFHGAWMGWLWHHS-UHFFFAOYSA-N 0 3 355.504 1.065 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877668677 993428313 /nfs/dbraw/zinc/42/83/13/993428313.db2.gz SSCPRTRYIFJDEM-IYBDPMFKSA-N 0 3 367.243 1.948 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877668677 993428317 /nfs/dbraw/zinc/42/83/17/993428317.db2.gz SSCPRTRYIFJDEM-IYBDPMFKSA-N 0 3 367.243 1.948 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](OC)[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000877708540 993460029 /nfs/dbraw/zinc/46/00/29/993460029.db2.gz OETAMVAPCQHSCD-DNVCBOLYSA-N 0 3 350.459 1.877 20 10 FDCDHN C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccccc1[O-] ZINC000879649141 995135588 /nfs/dbraw/zinc/13/55/88/995135588.db2.gz MQXFJSBUOMNBEX-OAHLLOKOSA-N 0 3 355.438 1.947 20 10 FDCDHN CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000879651719 995136789 /nfs/dbraw/zinc/13/67/89/995136789.db2.gz IODLFFMVRJMMSZ-SOUVJXGZSA-N 0 3 368.499 1.857 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccoc2)N(C)C)cc1 ZINC000929458405 1002078222 /nfs/dbraw/zinc/07/82/22/1002078222.db2.gz RMNXQMWNCRRZMV-QGZVFWFLSA-N 0 3 358.442 1.381 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)NCCN2CCC(C)(C)C2)cc1 ZINC000933842559 1005646356 /nfs/dbraw/zinc/64/63/56/1005646356.db2.gz SHBIXDSPOHTOMG-UHFFFAOYSA-N 0 3 360.502 1.559 20 10 FDCDHN CC(C)[C@H](C)N(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000934314850 1005731533 /nfs/dbraw/zinc/73/15/33/1005731533.db2.gz YDJWPQZIUYTMPB-YJBOKZPZSA-N 0 3 362.518 1.974 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)Cc2ccoc2)N(C)C)cc1 ZINC000934313922 1005731665 /nfs/dbraw/zinc/73/16/65/1005731665.db2.gz NICRWVFZOBUQRO-SFHVURJKSA-N 0 3 372.469 1.723 20 10 FDCDHN COc1cccc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1O ZINC000093142822 524957229 /nfs/dbraw/zinc/95/72/29/524957229.db2.gz RLSAUPWQLLDZKF-UHFFFAOYSA-N 0 3 361.486 1.777 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](N4CCCC4)C3)CC2)cc1 ZINC000170741975 525696033 /nfs/dbraw/zinc/69/60/33/525696033.db2.gz YHWUIVPYCFTCAH-LJQANCHMSA-N 0 3 372.513 1.514 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCCn1ccnc1C)cc2=O ZINC000130753189 525792452 /nfs/dbraw/zinc/79/24/52/525792452.db2.gz UXQWGQGOZBIKPT-UHFFFAOYSA-N 0 3 372.429 1.639 20 10 FDCDHN COCCN(C)CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000171211013 525899716 /nfs/dbraw/zinc/89/97/16/525899716.db2.gz CJGSARQYOFYBTA-UHFFFAOYSA-N 0 3 364.490 1.495 20 10 FDCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c1[O-] ZINC000187547141 536269113 /nfs/dbraw/zinc/26/91/13/536269113.db2.gz VDRHDUVEKDJUDJ-VIFPVBQESA-N 0 3 356.220 1.666 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@@H]1CCCC[C@H]1O)cc2=O ZINC000272574639 537301252 /nfs/dbraw/zinc/30/12/52/537301252.db2.gz RCHCNNLWGCQCLK-SWLSCSKDSA-N 0 3 362.430 1.595 20 10 FDCDHN Cn1ccc(N2CC[C@@H](NCc3ccc(N4CCOCC4)cc3)C2=O)n1 ZINC000360091528 537576718 /nfs/dbraw/zinc/57/67/18/537576718.db2.gz DGQQYRKBWYAYLD-QGZVFWFLSA-N 0 3 355.442 1.152 20 10 FDCDHN COCCCN1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000365821508 537591569 /nfs/dbraw/zinc/59/15/69/537591569.db2.gz LCLKILVAWINEQM-UHFFFAOYSA-N 0 3 353.419 1.853 20 10 FDCDHN COCCCN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000365821508 537591576 /nfs/dbraw/zinc/59/15/76/537591576.db2.gz LCLKILVAWINEQM-UHFFFAOYSA-N 0 3 353.419 1.853 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363004784 537601711 /nfs/dbraw/zinc/60/17/11/537601711.db2.gz JXGYBPBLPWUGNY-QNFQMBCCSA-N 0 3 371.481 1.516 20 10 FDCDHN O=C([C@@H]1CN2CCN1CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000371224697 537781186 /nfs/dbraw/zinc/78/11/86/537781186.db2.gz AWOSLAXVAAIOFM-ROUUACIJSA-N 0 3 359.470 1.290 20 10 FDCDHN COC(=O)CC[C@H](N)C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000377585610 537984068 /nfs/dbraw/zinc/98/40/68/537984068.db2.gz VBDCEXQFCCJNMF-KRWDZBQOSA-N 0 3 363.458 1.403 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)[C@@H](N)CCSC)CC2)cc1 ZINC000272516956 674453030 /nfs/dbraw/zinc/45/30/30/674453030.db2.gz YQHOQZGSLINJBM-KRWDZBQOSA-N 0 3 366.531 1.014 20 10 FDCDHN CCC[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000363181731 676940058 /nfs/dbraw/zinc/94/00/58/676940058.db2.gz GSVIVVZYALNSME-UHFFFAOYSA-N 0 3 355.460 1.322 20 10 FDCDHN CCC[N@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000363181731 676940060 /nfs/dbraw/zinc/94/00/60/676940060.db2.gz GSVIVVZYALNSME-UHFFFAOYSA-N 0 3 355.460 1.322 20 10 FDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200802 677551868 /nfs/dbraw/zinc/55/18/68/677551868.db2.gz CZKTUUPLVBXGJV-NVXWUHKLSA-N 0 3 368.499 1.970 20 10 FDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200802 677551871 /nfs/dbraw/zinc/55/18/71/677551871.db2.gz CZKTUUPLVBXGJV-NVXWUHKLSA-N 0 3 368.499 1.970 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000891245507 774079780 /nfs/dbraw/zinc/07/97/80/774079780.db2.gz FMGDWKWUTSGUTI-KRWDZBQOSA-N 0 3 373.457 1.305 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cn2ncc3cccnc32)N(C)C)cc1 ZINC000891246087 774084326 /nfs/dbraw/zinc/08/43/26/774084326.db2.gz LYDSIBXDJVEXOK-SFHVURJKSA-N 0 3 366.469 1.916 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3cncn3C2)N(C)C)cc1 ZINC000891247082 774090891 /nfs/dbraw/zinc/09/08/91/774090891.db2.gz HEMUERWSRYLXFA-LPHOPBHVSA-N 0 3 355.486 1.931 20 10 FDCDHN CCCC[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251185 774128638 /nfs/dbraw/zinc/12/86/38/774128638.db2.gz ARENKZGIHQMSDL-IRXDYDNUSA-N 0 3 363.506 1.699 20 10 FDCDHN COc1ccc(CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1OC ZINC000893081715 792794275 /nfs/dbraw/zinc/79/42/75/792794275.db2.gz LMMXZTNMSRUAFI-CYBMUJFWSA-N 0 3 360.414 1.428 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000893642873 808452351 /nfs/dbraw/zinc/45/23/51/808452351.db2.gz QEFUQOOECMQHOD-VQIMIIECSA-N 0 3 370.501 1.935 20 10 FDCDHN COC(=O)CC1(NCc2ccc3c(c2)CCCO3)CCS(=O)(=O)CC1 ZINC000893902940 809795110 /nfs/dbraw/zinc/79/51/10/809795110.db2.gz SBBVOKVRWMDCKJ-UHFFFAOYSA-N 0 3 367.467 1.612 20 10 FDCDHN COC[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC000894102668 810001955 /nfs/dbraw/zinc/00/19/55/810001955.db2.gz PJNPHHIQDWEUFL-IAGOWNOFSA-N 0 3 352.479 1.316 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2COC(C)(C)O2)N(C)C)cc1 ZINC000894118605 810125630 /nfs/dbraw/zinc/12/56/30/810125630.db2.gz BEFYAHSWRQCWPV-IRXDYDNUSA-N 0 3 364.490 1.806 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC2(C)OCCO2)N(C)C)cc1 ZINC000894195484 810874371 /nfs/dbraw/zinc/87/43/71/810874371.db2.gz JJWYRBJOYUCBOR-QGZVFWFLSA-N 0 3 364.490 1.808 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422387517 814815794 /nfs/dbraw/zinc/81/57/94/814815794.db2.gz UUEMFGUVBVWSTI-OAHLLOKOSA-N 0 3 356.470 1.656 20 10 FDCDHN COC(=O)c1c(CNC[C@]2(O)CCO[C@H]2C)c2cc(F)ccc2n1C ZINC000894595811 818236942 /nfs/dbraw/zinc/23/69/42/818236942.db2.gz RFSPRIOHXSCTSU-BBATYDOGSA-N 0 3 350.390 1.734 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@H]2CNC(=O)C2)N(C)C)cc1 ZINC000896689783 824796885 /nfs/dbraw/zinc/79/68/85/824796885.db2.gz IYOOWRFDAMPWOB-PBHICJAKSA-N 0 3 361.490 1.181 20 10 FDCDHN COC(=O)c1c(CNCCO[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000897200490 827146064 /nfs/dbraw/zinc/14/60/64/827146064.db2.gz WNNDQYHZZXYGMO-CYBMUJFWSA-N 0 3 350.390 1.999 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@](C)(C(N)=O)C2)N(C)C)cc1 ZINC000899105184 845779282 /nfs/dbraw/zinc/77/92/82/845779282.db2.gz VBLNUTBGHFPXGK-LPHOPBHVSA-N 0 3 361.490 1.262 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)N(C)C)cc1 ZINC000899098428 845791817 /nfs/dbraw/zinc/79/18/17/845791817.db2.gz NYFNGBOOVUKSFT-AITUJVMLSA-N 0 3 360.502 1.768 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@H](CF)C2)N(C)C)cc1 ZINC000899099047 845792678 /nfs/dbraw/zinc/79/26/78/845792678.db2.gz UYLSLNXHHUDDPR-IAGOWNOFSA-N 0 3 352.454 1.735 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](O)C(F)(F)C2)N(C)C)cc1 ZINC000899099146 845793667 /nfs/dbraw/zinc/79/36/67/845793667.db2.gz WBGYVCLEHJTZAQ-HZPDHXFCSA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](n3cncn3)C2)N(C)C)cc1 ZINC000899101169 845798486 /nfs/dbraw/zinc/79/84/86/845798486.db2.gz FRGDJDSBVSAZSU-MSOLQXFVSA-N 0 3 371.489 1.603 20 10 FDCDHN COc1ccc(N2CC[C@@H](NC(=O)c3ccnn3CCN(C)C)C2)cc1 ZINC000912291876 859565322 /nfs/dbraw/zinc/56/53/22/859565322.db2.gz FGVVOMZYIPZUDE-OAHLLOKOSA-N 0 3 357.458 1.462 20 10 FDCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1F ZINC000915367036 876160906 /nfs/dbraw/zinc/16/09/06/876160906.db2.gz UZPJTTLVNAONKA-INIZCTEOSA-N 0 3 364.465 1.944 20 10 FDCDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000730842347 917357038 /nfs/dbraw/zinc/35/70/38/917357038.db2.gz XCJKGAOWOHVPAU-BETUJISGSA-N 0 3 369.487 1.756 20 10 FDCDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000730842347 917357051 /nfs/dbraw/zinc/35/70/51/917357051.db2.gz XCJKGAOWOHVPAU-BETUJISGSA-N 0 3 369.487 1.756 20 10 FDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000787749848 932385329 /nfs/dbraw/zinc/38/53/29/932385329.db2.gz DPJNYBXTJRUXDF-INIZCTEOSA-N 0 3 360.502 1.702 20 10 FDCDHN CC1CCN(c2ccc(CNC(=O)C(=O)NCCN(C)C3CC3)cc2)CC1 ZINC000793935279 938341476 /nfs/dbraw/zinc/34/14/76/938341476.db2.gz FRSAXJNYESMTFU-UHFFFAOYSA-N 0 3 372.513 1.750 20 10 FDCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000808424362 940544529 /nfs/dbraw/zinc/54/45/29/940544529.db2.gz ABAOXKHGVVSXEE-CQSZACIVSA-N 0 3 357.476 1.151 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cccc(O)c3)CC2)cc1 ZINC000819060978 943400073 /nfs/dbraw/zinc/40/00/73/943400073.db2.gz MXFAOPJVXCATIF-FQEVSTJZSA-N 0 3 371.481 1.674 20 10 FDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 ZINC001136340107 944047013 /nfs/dbraw/zinc/04/70/13/944047013.db2.gz DUMSTSJOBYOLGV-QGZVFWFLSA-N 0 3 372.513 1.879 20 10 FDCDHN CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCN(C)C1 ZINC000843992967 947543006 /nfs/dbraw/zinc/54/30/06/947543006.db2.gz VSIMPBOTILSECE-CYBMUJFWSA-N 0 3 355.460 1.320 20 10 FDCDHN CN1CCN(c2ccc(CN(CC(N)=O)Cc3ccccc3)cc2)CC1 ZINC000775695330 971545001 /nfs/dbraw/zinc/54/50/01/971545001.db2.gz TXISGPWIQWNTHB-UHFFFAOYSA-N 0 3 352.482 1.926 20 10 FDCDHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001148224423 952654182 /nfs/dbraw/zinc/65/41/82/952654182.db2.gz LHWCOSJUBHADDK-UHFFFAOYSA-N 0 3 369.421 1.348 20 10 FDCDHN CCS(=O)(=O)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775204704 966617536 /nfs/dbraw/zinc/61/75/36/966617536.db2.gz DBQJJTGWZOOXOS-UHFFFAOYSA-N 0 3 365.543 1.838 20 10 FDCDHN CCOC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775259440 967024060 /nfs/dbraw/zinc/02/40/60/967024060.db2.gz SXUDQENOLPZZOU-HNNXBMFYSA-N 0 3 363.458 1.195 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@]4(C)COC[C@]4(C)C3)CC2)cc1 ZINC000852464011 967348287 /nfs/dbraw/zinc/34/82/87/967348287.db2.gz IONOXFFIVNJMTK-OYRHEFFESA-N 0 3 373.497 1.702 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C(O)[C@H](C)C3)CC2)cc1 ZINC000852501727 967379222 /nfs/dbraw/zinc/37/92/22/967379222.db2.gz SWSRMUBBRUWTJU-HZPDHXFCSA-N 0 3 361.486 1.293 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000863031987 972620852 /nfs/dbraw/zinc/62/08/52/972620852.db2.gz DCDOVRKUGFWGOY-CQSZACIVSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000863031987 972620857 /nfs/dbraw/zinc/62/08/57/972620857.db2.gz DCDOVRKUGFWGOY-CQSZACIVSA-N 0 3 367.471 1.510 20 10 FDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cnn4c3CCC4)cc2)C1 ZINC000850059731 978134117 /nfs/dbraw/zinc/13/41/17/978134117.db2.gz NTBUGTFNXMUNQW-MRXNPFEDSA-N 0 3 353.470 1.821 20 10 FDCDHN O=c1n(CCN(Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccccn21 ZINC000109761944 978789772 /nfs/dbraw/zinc/78/97/72/978789772.db2.gz VZKWZGQVEQAQTJ-KRWDZBQOSA-N 0 3 368.437 1.883 20 10 FDCDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(N2CCOCC2)cc1 ZINC000776521662 978872422 /nfs/dbraw/zinc/87/24/22/978872422.db2.gz XEVYFZBYWNPEPR-IBGZPJMESA-N 0 3 350.459 1.706 20 10 FDCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c1 ZINC000851899732 979174496 /nfs/dbraw/zinc/17/44/96/979174496.db2.gz DQNFSAKVSXPIOL-WFASDCNBSA-N 0 3 364.442 1.994 20 10 FDCDHN Cc1cc(CNCc2cn(C)c(=O)n(C)c2=O)c(C)n1-c1ccccc1 ZINC000858293181 981967720 /nfs/dbraw/zinc/96/77/20/981967720.db2.gz KJGKDJKPMXASJI-UHFFFAOYSA-N 0 3 352.438 1.781 20 10 FDCDHN COCCn1cc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 ZINC000886324646 986070472 /nfs/dbraw/zinc/07/04/72/986070472.db2.gz APPLGNCECZGCIV-UHFFFAOYSA-N 0 3 371.485 1.521 20 10 FDCDHN CCN(CCO)CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588086 987286830 /nfs/dbraw/zinc/28/68/30/987286830.db2.gz RRLZMGJXCIOSEV-UHFFFAOYSA-N 0 3 368.441 1.832 20 10 FDCDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000365013976 989957412 /nfs/dbraw/zinc/95/74/12/989957412.db2.gz RYHBVJBXEOIZMS-CSPWOOARSA-N 0 3 359.426 1.052 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000825728318 990224155 /nfs/dbraw/zinc/22/41/55/990224155.db2.gz TYCARMFJWYVSBC-BBTUJRGHSA-N 0 3 373.497 1.876 20 10 FDCDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875204985 991074235 /nfs/dbraw/zinc/07/42/35/991074235.db2.gz BRCVAWOUHAULSN-MRXNPFEDSA-N 0 3 360.458 1.360 20 10 FDCDHN C[C@H](CO)N1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000372753984 991467938 /nfs/dbraw/zinc/46/79/38/991467938.db2.gz XGZYKDFONWRLBN-QGZVFWFLSA-N 0 3 362.518 1.100 20 10 FDCDHN C[C@H]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CS1(=O)=O ZINC000877628559 993392994 /nfs/dbraw/zinc/39/29/94/993392994.db2.gz IECPAMMZXRNPPV-GOEBONIOSA-N 0 3 352.500 1.703 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@H]3CCN(C)[C@@H]3C)CC2)cc1F ZINC000925330143 995501129 /nfs/dbraw/zinc/50/11/29/995501129.db2.gz RHPLFXUPDZXSLF-CJNGLKHVSA-N 0 3 350.438 1.759 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1[C@@H](O)CC)cc2=O ZINC000265072116 997688958 /nfs/dbraw/zinc/68/89/58/997688958.db2.gz WPVGELOCJSFOSZ-CABCVRRESA-N 0 3 362.430 1.737 20 10 FDCDHN COc1ccc(N2CCN(CCCNc3nccn(C)c3=O)CC2)cc1 ZINC000266161867 999123318 /nfs/dbraw/zinc/12/33/18/999123318.db2.gz WSLUXWJHZYUTDI-UHFFFAOYSA-N 0 3 357.458 1.413 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)[C@H](C)C(=O)OCC)cc2=O ZINC000273987536 999735575 /nfs/dbraw/zinc/73/55/75/999735575.db2.gz JGQUKEWEAKQVSR-QWRGUYRKSA-N 0 3 364.402 1.289 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000287355173 999956893 /nfs/dbraw/zinc/95/68/93/999956893.db2.gz LPLPXIVNXJCIPM-SFHVURJKSA-N 0 3 372.513 1.655 20 10 FDCDHN CCn1[nH]c(C)nc1=NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931758941 1004476095 /nfs/dbraw/zinc/47/60/95/1004476095.db2.gz LPMZCXXTLHHBMA-INIZCTEOSA-N 0 3 359.478 1.519 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c([O-])c1 ZINC000269551080 674110115 /nfs/dbraw/zinc/11/01/15/674110115.db2.gz ZRAZXZSIQORMNB-AWEZNQCLSA-N 0 3 356.488 1.942 20 10 FDCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c([O-])c1 ZINC000269551080 674110117 /nfs/dbraw/zinc/11/01/17/674110117.db2.gz ZRAZXZSIQORMNB-AWEZNQCLSA-N 0 3 356.488 1.942 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c([O-])c1 ZINC000269551083 674110136 /nfs/dbraw/zinc/11/01/36/674110136.db2.gz ZRAZXZSIQORMNB-CQSZACIVSA-N 0 3 356.488 1.942 20 10 FDCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c([O-])c1 ZINC000269551083 674110138 /nfs/dbraw/zinc/11/01/38/674110138.db2.gz ZRAZXZSIQORMNB-CQSZACIVSA-N 0 3 356.488 1.942 20 10 FDCDHN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000271097053 674309060 /nfs/dbraw/zinc/30/90/60/674309060.db2.gz NKEJICWMKWACPQ-ZDUSSCGKSA-N 0 3 356.444 1.415 20 10 FDCDHN COc1ccc(N2CCN(CCCNc3ncnc4[nH]cnc43)CC2)cc1 ZINC000016758131 518770152 /nfs/dbraw/zinc/77/01/52/518770152.db2.gz ATSMPIQIXDNAQL-UHFFFAOYSA-N 0 3 367.457 1.986 20 10 FDCDHN O=C(Nc1nncs1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000057090720 522002339 /nfs/dbraw/zinc/00/23/39/522002339.db2.gz DSFQMYCKURWQKF-UHFFFAOYSA-N 0 3 362.411 1.823 20 10 FDCDHN CC(C)[NH+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000055107106 523749610 /nfs/dbraw/zinc/74/96/10/523749610.db2.gz LXKSYNLDGZWNKH-UHFFFAOYSA-N 0 3 357.476 1.612 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](C3OCCO3)C2)cc1 ZINC000112525357 524499921 /nfs/dbraw/zinc/49/99/21/524499921.db2.gz VAKNLUJHTPZQKU-KRWDZBQOSA-N 0 3 361.486 1.796 20 10 FDCDHN CCS(=O)(=O)NCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000151677482 524652109 /nfs/dbraw/zinc/65/21/09/524652109.db2.gz DXHHLTHAFMXDKU-MRXNPFEDSA-N 0 3 356.488 1.703 20 10 FDCDHN CCS(=O)(=O)NCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000151677482 524652119 /nfs/dbraw/zinc/65/21/19/524652119.db2.gz DXHHLTHAFMXDKU-MRXNPFEDSA-N 0 3 356.488 1.703 20 10 FDCDHN CC(C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)S(C)(=O)=O ZINC000114683669 524851503 /nfs/dbraw/zinc/85/15/03/524851503.db2.gz ZGMFCJLETJFTJF-YOEHRIQHSA-N 0 3 368.499 1.693 20 10 FDCDHN CCN1CCN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2F)CC1 ZINC000182884987 535880366 /nfs/dbraw/zinc/88/03/66/535880366.db2.gz AZFVLOSKUVOMIV-INIZCTEOSA-N 0 3 369.506 1.634 20 10 FDCDHN COc1ccc(O)c(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000282879409 537343556 /nfs/dbraw/zinc/34/35/56/537343556.db2.gz YNLRTCSCRDZECV-UHFFFAOYSA-N 0 3 354.472 1.791 20 10 FDCDHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000271264139 537414708 /nfs/dbraw/zinc/41/47/08/537414708.db2.gz HXGJWIRRABRRGK-UHFFFAOYSA-N 0 3 350.415 1.292 20 10 FDCDHN C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000277110797 537603732 /nfs/dbraw/zinc/60/37/32/537603732.db2.gz DHDQFGQAHOMLKP-CYBMUJFWSA-N 0 3 355.460 1.320 20 10 FDCDHN O=C(CNC[C@H]1CCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000237685388 537637260 /nfs/dbraw/zinc/63/72/60/537637260.db2.gz FGVVBSROYXBNII-OAHLLOKOSA-N 0 3 351.422 1.047 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)CC2CCN(C)CC2)cc1F ZINC000285643492 537741223 /nfs/dbraw/zinc/74/12/23/537741223.db2.gz GFNWLAYROBLTEM-UHFFFAOYSA-N 0 3 364.465 1.308 20 10 FDCDHN COCCN(CCC(=O)OC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093415983 671521681 /nfs/dbraw/zinc/52/16/81/671521681.db2.gz DLIFZEJTSUHFFO-UHFFFAOYSA-N 0 3 354.422 1.674 20 10 FDCDHN CCN(CC)c1ccc(CN(C)C[C@@H](O)CN2CCOCC2)cc1F ZINC000093583390 671522156 /nfs/dbraw/zinc/52/21/56/671522156.db2.gz RBDNHUUEWCEEBX-QGZVFWFLSA-N 0 3 353.482 1.797 20 10 FDCDHN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000287420313 675916101 /nfs/dbraw/zinc/91/61/01/675916101.db2.gz ZYYVOZZENUGWEB-DOMZBBRYSA-N 0 3 367.471 1.463 20 10 FDCDHN C[C@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000296380551 676418186 /nfs/dbraw/zinc/41/81/86/676418186.db2.gz JPQIIDJUURPARC-MAUKXSAKSA-N 0 3 352.500 1.877 20 10 FDCDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1[O-] ZINC000367782355 677495657 /nfs/dbraw/zinc/49/56/57/677495657.db2.gz KGEAHJSDQNXYPU-AWEZNQCLSA-N 0 3 369.487 1.084 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)N(C)C)cc1 ZINC000891245503 774085295 /nfs/dbraw/zinc/08/52/95/774085295.db2.gz FKHJDMOCTHUIBR-FGTMMUONSA-N 0 3 372.473 1.073 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc3ncnn32)N(C)C)cc1 ZINC000891247485 774094108 /nfs/dbraw/zinc/09/41/08/774094108.db2.gz HQJSDXVUFUNRDF-KRWDZBQOSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)N(C)C)cc1 ZINC000891248378 774097405 /nfs/dbraw/zinc/09/74/05/774097405.db2.gz LZFWEYXGABUIQE-SJLPKXTDSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)N(C)C)cc1 ZINC000891247892 774099956 /nfs/dbraw/zinc/09/99/56/774099956.db2.gz LFBMYUKGRGDJFE-MRXNPFEDSA-N 0 3 368.441 1.762 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCN(C)C2=O)N(C)C)cc1 ZINC000891248268 774102597 /nfs/dbraw/zinc/10/25/97/774102597.db2.gz XHVGBLSJBGXGCG-QZTJIDSGSA-N 0 3 360.502 1.730 20 10 FDCDHN Cc1cnc(COCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891249448 774108110 /nfs/dbraw/zinc/10/81/10/774108110.db2.gz QZUQJUJNIFEUIU-KRWDZBQOSA-N 0 3 360.458 1.985 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000891251036 774128877 /nfs/dbraw/zinc/12/88/77/774128877.db2.gz CBNUWLYBRLJZEA-GOSISDBHSA-N 0 3 370.453 1.967 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)s2)N(C)C)cc1 ZINC000891255208 774155987 /nfs/dbraw/zinc/15/59/87/774155987.db2.gz NTKSIJAUPPJBKY-CQSZACIVSA-N 0 3 360.483 1.946 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCn2cccn2)N(C)C)cc1 ZINC000891789499 779425851 /nfs/dbraw/zinc/42/58/51/779425851.db2.gz MKUCRUGUQWXKFH-SFHVURJKSA-N 0 3 358.490 1.941 20 10 FDCDHN C[C@H](Cn1cncn1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892567184 787345023 /nfs/dbraw/zinc/34/50/23/787345023.db2.gz CAFQHXQLBLNDQU-PBHICJAKSA-N 0 3 359.478 1.335 20 10 FDCDHN Cc1nccn1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892572859 787373039 /nfs/dbraw/zinc/37/30/39/787373039.db2.gz LLXQCHMHNOLPSJ-SFHVURJKSA-N 0 3 358.490 1.860 20 10 FDCDHN Cc1noc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000892629630 787849500 /nfs/dbraw/zinc/84/95/00/787849500.db2.gz CYNRGAUXPYWFAR-MRXNPFEDSA-N 0 3 360.462 1.589 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1[O-] ZINC000895772881 822736846 /nfs/dbraw/zinc/73/68/46/822736846.db2.gz WPHYCNMNOZMXNC-AWEZNQCLSA-N 0 3 369.259 1.848 20 10 FDCDHN CO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899095395 845756397 /nfs/dbraw/zinc/75/63/97/845756397.db2.gz JCVNZKXIBPGLIP-IRXDYDNUSA-N 0 3 350.463 1.370 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)[C@@H]2CCCO2)N(C)C)cc1 ZINC000899097701 845759983 /nfs/dbraw/zinc/75/99/83/845759983.db2.gz FOTXJHNVXMRFFU-BZSNNMDCSA-N 0 3 364.490 1.194 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@](O)(C(F)F)C2)N(C)C)cc1 ZINC000899099290 845793597 /nfs/dbraw/zinc/79/35/97/845793597.db2.gz YKXZILVEZMLUHK-QAPCUYQASA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](n3cncn3)C2)N(C)C)cc1 ZINC000899101174 845798547 /nfs/dbraw/zinc/79/85/47/845798547.db2.gz FRGDJDSBVSAZSU-ZWKOTPCHSA-N 0 3 371.489 1.603 20 10 FDCDHN O[C@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1(O)CCCC1 ZINC000905283857 851815770 /nfs/dbraw/zinc/81/57/70/851815770.db2.gz IQDIVPBFZCRYFM-MRXNPFEDSA-N 0 3 356.413 1.557 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cc1 ZINC000910992665 857994084 /nfs/dbraw/zinc/99/40/84/857994084.db2.gz OACDQHRGBZHKRW-QZTJIDSGSA-N 0 3 352.438 1.110 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CCN(C)CCO)c1 ZINC000912612537 859960305 /nfs/dbraw/zinc/96/03/05/859960305.db2.gz SKDIYSYQODZCSR-UHFFFAOYSA-N 0 3 357.454 1.903 20 10 FDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCN1C ZINC000914291325 872242577 /nfs/dbraw/zinc/24/25/77/872242577.db2.gz JSRPWXXPBRTNNM-UWWQBHOKSA-N 0 3 373.501 1.280 20 10 FDCDHN CN(C)C1(C(=O)NCc2cc(NC(=O)C3(N(C)C)CC3)ccc2O)CC1 ZINC000923116961 888075298 /nfs/dbraw/zinc/07/52/98/888075298.db2.gz KSSRSCFFJVZXRD-UHFFFAOYSA-N 0 3 360.458 1.135 20 10 FDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000763485637 889823416 /nfs/dbraw/zinc/82/34/16/889823416.db2.gz GYCIXXDDFLBLJK-XLIONFOSSA-N 0 3 373.545 1.920 20 10 FDCDHN COc1ccc(N2CCC(NC(=O)[C@@H]3CN4CCN3CCC4)CC2)cc1 ZINC000764095302 903509350 /nfs/dbraw/zinc/50/93/50/903509350.db2.gz VCBCYFFZTKGNMM-IBGZPJMESA-N 0 3 358.486 1.170 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000921528517 907598408 /nfs/dbraw/zinc/59/84/08/907598408.db2.gz ABWMCSKTBDRRAR-NVXWUHKLSA-N 0 3 351.422 1.708 20 10 FDCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000746148419 927640211 /nfs/dbraw/zinc/64/02/11/927640211.db2.gz WTCZOKSZMNIYJR-JFIYKMOQSA-N 0 3 372.513 1.877 20 10 FDCDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000787674467 932350490 /nfs/dbraw/zinc/35/04/90/932350490.db2.gz GPPITFJPQOYNBN-INIZCTEOSA-N 0 3 372.513 1.533 20 10 FDCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000817706002 942900827 /nfs/dbraw/zinc/90/08/27/942900827.db2.gz MYSXTSBIUFAUAA-IBGZPJMESA-N 0 3 372.513 1.844 20 10 FDCDHN C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1cc(Br)c(F)cc1[O-] ZINC000817946022 943090526 /nfs/dbraw/zinc/09/05/26/943090526.db2.gz QJLUNONITVWOIM-SECBINFHSA-N 0 3 360.227 1.376 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC000824106222 946195720 /nfs/dbraw/zinc/19/57/20/946195720.db2.gz GKLGKJVXPTXFMH-BETUJISGSA-N 0 3 353.444 1.120 20 10 FDCDHN COc1ccc(N2CCN([C@@H]3CCN(C4CC4)C(=O)C3)CC2)c(OC)c1 ZINC001172019237 961407390 /nfs/dbraw/zinc/40/73/90/961407390.db2.gz KBCZZODWPIBOBF-MRXNPFEDSA-N 0 3 359.470 1.979 20 10 FDCDHN COCCOc1ccc(N2CCN([C@@H]3CCN(C4CC4)C(=O)C3)CC2)cc1 ZINC001172019883 961408039 /nfs/dbraw/zinc/40/80/39/961408039.db2.gz TYDNENXWMWESDR-LJQANCHMSA-N 0 3 373.497 1.987 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3C[C@@H](O)C34CCC4)CC2)cc1 ZINC000852586367 967447994 /nfs/dbraw/zinc/44/79/94/967447994.db2.gz QLJYUVMMAHCBST-QZTJIDSGSA-N 0 3 359.470 1.237 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1CCC[C@@H]1C(=O)OC)cc2=O ZINC000852756108 967581834 /nfs/dbraw/zinc/58/18/34/967581834.db2.gz UKENPLQQSLUKGL-WCQYABFASA-N 0 3 362.386 1.043 20 10 FDCDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000111845438 968545429 /nfs/dbraw/zinc/54/54/29/968545429.db2.gz CFJGRBUOLSDCPM-SFHVURJKSA-N 0 3 360.502 1.979 20 10 FDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@]23COCCN2C(=O)COC3)c2c1c(F)ccc2[O-] ZINC000866554134 975781710 /nfs/dbraw/zinc/78/17/10/975781710.db2.gz PRKSYZBDXZYIEV-AEDCBLDQSA-N 0 3 350.390 1.297 20 10 FDCDHN COc1ccc(N2CCC(N[C@H]3CS(=O)(=O)C[C@@H]3OC)CC2)cc1 ZINC000850360787 978336618 /nfs/dbraw/zinc/33/66/18/978336618.db2.gz JLNMTESSZREUKZ-IRXDYDNUSA-N 0 3 354.472 1.066 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)[C@H]3CCc4nc[nH]c4C3)cc2)CC1 ZINC000881853069 980217083 /nfs/dbraw/zinc/21/70/83/980217083.db2.gz IMPIHMCFHWZIRZ-INIZCTEOSA-N 0 3 353.470 1.583 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)[C@H]3CCc4[nH]cnc4C3)cc2)CC1 ZINC000881853069 980217090 /nfs/dbraw/zinc/21/70/90/980217090.db2.gz IMPIHMCFHWZIRZ-INIZCTEOSA-N 0 3 353.470 1.583 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000859776791 983016360 /nfs/dbraw/zinc/01/63/60/983016360.db2.gz PQARXQICRNIEEY-UHFFFAOYSA-N 0 3 374.529 1.556 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCNC2=O)c1[O-] ZINC000886744932 986540202 /nfs/dbraw/zinc/54/02/02/986540202.db2.gz KKQBMNQPEZWEPO-VIFPVBQESA-N 0 3 358.236 1.839 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]([C@H]3CCCO3)C1)cc2=O ZINC000886825266 986616132 /nfs/dbraw/zinc/61/61/32/986616132.db2.gz PMAAEMBDFMHCSN-SWLSCSKDSA-N 0 3 360.414 1.613 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(N)Cc2ccccc2C1 ZINC000361956383 988548038 /nfs/dbraw/zinc/54/80/38/988548038.db2.gz JCZVRGWTCMVVDQ-UHFFFAOYSA-N 0 3 365.477 1.978 20 10 FDCDHN COc1ccc(CNC2CN(c3ccncn3)C2)cc1Cn1cccn1 ZINC000873150005 988609335 /nfs/dbraw/zinc/60/93/35/988609335.db2.gz WXBLYGGCNOQSBO-UHFFFAOYSA-N 0 3 350.426 1.708 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000371314233 990353699 /nfs/dbraw/zinc/35/36/99/990353699.db2.gz RCRQINBWUPJLBQ-PKOBYXMFSA-N 0 3 372.513 1.702 20 10 FDCDHN C[C@@H](CO)N1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000372753982 991468342 /nfs/dbraw/zinc/46/83/42/991468342.db2.gz XGZYKDFONWRLBN-KRWDZBQOSA-N 0 3 362.518 1.100 20 10 FDCDHN CC[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1[O-] ZINC000373447882 992224172 /nfs/dbraw/zinc/22/41/72/992224172.db2.gz HFWWEJOXSYBSFN-QZTJIDSGSA-N 0 3 361.486 1.756 20 10 FDCDHN C[C@@H]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CS1(=O)=O ZINC000877628557 993393306 /nfs/dbraw/zinc/39/33/06/993393306.db2.gz IECPAMMZXRNPPV-GDBMZVCRSA-N 0 3 352.500 1.703 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCCCCCNC(=O)CC2)cc1 ZINC000879254417 994702845 /nfs/dbraw/zinc/70/28/45/994702845.db2.gz ZVHBXEYIBDGTFX-UHFFFAOYSA-N 0 3 360.502 1.751 20 10 FDCDHN COc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc(OC)c1OC ZINC000274212774 999736976 /nfs/dbraw/zinc/73/69/76/999736976.db2.gz NQPQQSSPQIRQEV-HNNXBMFYSA-N 0 3 363.458 1.455 20 10 FDCDHN CC[C@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000929328334 1001940920 /nfs/dbraw/zinc/94/09/20/1001940920.db2.gz RLJUSTVMDLKZEX-WBVHZDCISA-N 0 3 364.490 1.013 20 10 FDCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000795686899 1007969471 /nfs/dbraw/zinc/96/94/71/1007969471.db2.gz HIYDXAPNHCQCBY-DOMZBBRYSA-N 0 3 361.316 1.745 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2COCCO2)N(C)C)cc1 ZINC000892191881 782112708 /nfs/dbraw/zinc/11/27/08/782112708.db2.gz OFQWZTQSNXHFNI-IRXDYDNUSA-N 0 3 350.463 1.070 20 10 FDCDHN C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)CN1CCN(C)CC1 ZINC000074657133 522812978 /nfs/dbraw/zinc/81/29/78/522812978.db2.gz OLVDCMQLJQUQCK-INIZCTEOSA-N 0 3 374.529 1.954 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCN(C2CC2)CC1 ZINC000054786187 523695235 /nfs/dbraw/zinc/69/52/35/523695235.db2.gz CJWTVELWRLMWRS-UHFFFAOYSA-N 0 3 358.486 1.949 20 10 FDCDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000271662379 674366730 /nfs/dbraw/zinc/36/67/30/674366730.db2.gz DNZTXZDFVNDEIU-MSOLQXFVSA-N 0 3 352.500 1.969 20 10 FDCDHN CCN1CCN(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000112918205 524595513 /nfs/dbraw/zinc/59/55/13/524595513.db2.gz OIBQDMIJKRKNGK-VMPITWQZSA-N 0 3 372.513 1.290 20 10 FDCDHN CC(C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)S(C)(=O)=O ZINC000114683671 524850064 /nfs/dbraw/zinc/85/00/64/524850064.db2.gz ZGMFCJLETJFTJF-PBHICJAKSA-N 0 3 368.499 1.693 20 10 FDCDHN C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)CN1CCN(C)CC1 ZINC000175225158 524908281 /nfs/dbraw/zinc/90/82/81/524908281.db2.gz FIVDEHNNSOQFIO-SFHVURJKSA-N 0 3 371.529 1.746 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)C(C)S(C)(=O)=O)cc2F)CC1 ZINC000106702744 525772985 /nfs/dbraw/zinc/77/29/85/525772985.db2.gz PHBPOCGNFFTDKA-CYBMUJFWSA-N 0 3 371.478 1.017 20 10 FDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000181271367 525829156 /nfs/dbraw/zinc/82/91/56/525829156.db2.gz SVUWNABIBMVMOZ-IIMRFPQDSA-N 0 3 368.433 1.863 20 10 FDCDHN O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(O)c1[O-] ZINC000189920263 537115677 /nfs/dbraw/zinc/11/56/77/537115677.db2.gz KITDMOFKRCENGT-INIZCTEOSA-N 0 3 356.422 1.985 20 10 FDCDHN O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(O)c1[O-] ZINC000189920263 537115681 /nfs/dbraw/zinc/11/56/81/537115681.db2.gz KITDMOFKRCENGT-INIZCTEOSA-N 0 3 356.422 1.985 20 10 FDCDHN COCCN1CC[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000264574859 537145585 /nfs/dbraw/zinc/14/55/85/537145585.db2.gz TYQJBHGJKNIZNI-UKTKYZJWSA-N 0 3 359.470 1.373 20 10 FDCDHN COCCN(CCN(C)C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264570975 537145637 /nfs/dbraw/zinc/14/56/37/537145637.db2.gz RRTFPSBCSJHXTQ-RMKNXTFCSA-N 0 3 361.486 1.573 20 10 FDCDHN COc1c([O-])c(C[NH2+]C[C@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278929777 537343228 /nfs/dbraw/zinc/34/32/28/537343228.db2.gz VZPZUMYLVPJYOQ-ZDUSSCGKSA-N 0 3 352.435 1.282 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363004787 537602325 /nfs/dbraw/zinc/60/23/25/537602325.db2.gz JXGYBPBLPWUGNY-ZLNADXECSA-N 0 3 371.481 1.516 20 10 FDCDHN COc1cccc(CNCCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000237199640 537616904 /nfs/dbraw/zinc/61/69/04/537616904.db2.gz UMASGXAASKRWQO-UHFFFAOYSA-N 0 3 350.440 1.777 20 10 FDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000285584757 537733481 /nfs/dbraw/zinc/73/34/81/537733481.db2.gz UGTSIZNPRCTQEK-DGCLKSJQSA-N 0 3 356.444 1.319 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000561999578 546006315 /nfs/dbraw/zinc/00/63/15/546006315.db2.gz PDLTXOCRWXWHBL-HIFRSBDPSA-N 0 3 356.470 1.702 20 10 FDCDHN COC(=O)[C@@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc2O1 ZINC000595929278 552634624 /nfs/dbraw/zinc/63/46/24/552634624.db2.gz IQGQWOJGJULJGK-SFHVURJKSA-N 0 3 352.390 1.913 20 10 FDCDHN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1=CC[N@H+](C)CC1 ZINC000272759185 674473076 /nfs/dbraw/zinc/47/30/76/674473076.db2.gz FTQSCSDCCDEOQN-LLVKDONJSA-N 0 3 353.444 1.144 20 10 FDCDHN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1=CC[N@@H+](C)CC1 ZINC000272759185 674473079 /nfs/dbraw/zinc/47/30/79/674473079.db2.gz FTQSCSDCCDEOQN-LLVKDONJSA-N 0 3 353.444 1.144 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000363369913 676950072 /nfs/dbraw/zinc/95/00/72/676950072.db2.gz WSTKDLPSCITMAL-ZDUSSCGKSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000363369913 676950074 /nfs/dbraw/zinc/95/00/74/676950074.db2.gz WSTKDLPSCITMAL-ZDUSSCGKSA-N 0 3 367.471 1.510 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@]3(CNC(=O)C3)C2)c1O ZINC000375916671 678196122 /nfs/dbraw/zinc/19/61/22/678196122.db2.gz NPSNNDIGYDPVMF-HNNXBMFYSA-N 0 3 355.232 1.875 20 10 FDCDHN COC(=O)c1ccn(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891243488 774058036 /nfs/dbraw/zinc/05/80/36/774058036.db2.gz ORPKGXBITRHCNE-KRWDZBQOSA-N 0 3 373.457 1.155 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(C3CC3)C2=O)N(C)C)cc1 ZINC000891243515 774058204 /nfs/dbraw/zinc/05/82/04/774058204.db2.gz PCTQYOAZWNJNSD-RTBURBONSA-N 0 3 372.513 1.873 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)N2CCCC2)N(C)C)cc1 ZINC000891246542 774089756 /nfs/dbraw/zinc/08/97/56/774089756.db2.gz OZVBRTGAXCNVME-KRWDZBQOSA-N 0 3 361.490 1.277 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(C(N)=O)nc2)N(C)C)cc1 ZINC000891247323 774093403 /nfs/dbraw/zinc/09/34/03/774093403.db2.gz UENCHIUWEXRQAV-SFHVURJKSA-N 0 3 369.469 1.208 20 10 FDCDHN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891253399 774143542 /nfs/dbraw/zinc/14/35/42/774143542.db2.gz SCAMXOUFIJEXNS-ICSRJNTNSA-N 0 3 360.502 1.730 20 10 FDCDHN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254984 774152532 /nfs/dbraw/zinc/15/25/32/774152532.db2.gz LRYBNFMEVTUFKF-MOPGFXCFSA-N 0 3 360.502 1.873 20 10 FDCDHN COc1ccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c(O)c1OC ZINC000891405824 776909760 /nfs/dbraw/zinc/90/97/60/776909760.db2.gz UIACXDMUXBCONK-GFCCVEGCSA-N 0 3 358.460 1.171 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893053630 792669884 /nfs/dbraw/zinc/66/98/84/792669884.db2.gz OSVMBVPDOIDPCY-RBUKOAKNSA-N 0 3 360.502 1.802 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)N(C)C)cc1 ZINC000893461894 804034547 /nfs/dbraw/zinc/03/45/47/804034547.db2.gz ADYRAMFMHDGQFG-QAPCUYQASA-N 0 3 373.501 1.418 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NOC[C@H]2CCOC2)N(C)C)cc1 ZINC000894372517 817832892 /nfs/dbraw/zinc/83/28/92/817832892.db2.gz KIUWCJVVMXCBGG-YOEHRIQHSA-N 0 3 350.463 1.623 20 10 FDCDHN CNS(=O)(=O)CCCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895444883 822602515 /nfs/dbraw/zinc/60/25/15/822602515.db2.gz VFAWMURFCGVVTK-UHFFFAOYSA-N 0 3 371.434 1.133 20 10 FDCDHN CCN(CC)c1ccc(CNC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1 ZINC000895509675 822632252 /nfs/dbraw/zinc/63/22/52/822632252.db2.gz XVFWEEIWTJYVQX-FUHWJXTLSA-N 0 3 368.499 1.599 20 10 FDCDHN Cn1nccc1[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000897557870 839514740 /nfs/dbraw/zinc/51/47/40/839514740.db2.gz CEIVPSNAVDOPCR-HXUWFJFHSA-N 0 3 355.486 1.745 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)N(C)C)cc1 ZINC000899103662 845776397 /nfs/dbraw/zinc/77/63/97/845776397.db2.gz OCTMMWCELNSDOC-GOSISDBHSA-N 0 3 373.501 1.372 20 10 FDCDHN CO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H]1OC ZINC000899103371 845776650 /nfs/dbraw/zinc/77/66/50/845776650.db2.gz KZOTWIJAIUTQPL-OKZBNKHCSA-N 0 3 364.490 1.411 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@H](O)CC(F)(F)C2)N(C)C)cc1 ZINC000899103538 845776689 /nfs/dbraw/zinc/77/66/89/845776689.db2.gz MPPAMHDHIPCHQG-HZPDHXFCSA-N 0 3 370.444 1.767 20 10 FDCDHN C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)CN1CCN(C)CC1 ZINC000073917213 881357163 /nfs/dbraw/zinc/35/71/63/881357163.db2.gz BJBBJQBZLHDSSQ-KRWDZBQOSA-N 0 3 373.545 1.752 20 10 FDCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)CCN(C)CCO)ccc21 ZINC000912607615 859950459 /nfs/dbraw/zinc/95/04/59/859950459.db2.gz XYJDOVWJTFVTQQ-UHFFFAOYSA-N 0 3 361.486 1.901 20 10 FDCDHN COc1ccc(N2CCC(NC(=O)NC[C@]3(O)CCN(C)C3)CC2)cc1 ZINC000763034417 877602140 /nfs/dbraw/zinc/60/21/40/877602140.db2.gz GYNAWFIFEAQKNO-LJQANCHMSA-N 0 3 362.474 1.030 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000918861606 884974767 /nfs/dbraw/zinc/97/47/67/884974767.db2.gz NVEYJLLKBRYEMQ-AWEZNQCLSA-N 0 3 351.422 1.974 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000670984697 892766336 /nfs/dbraw/zinc/76/63/36/892766336.db2.gz VHXYLAUAKULHAI-OAHLLOKOSA-N 0 3 370.497 1.951 20 10 FDCDHN CN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000732452477 919597145 /nfs/dbraw/zinc/59/71/45/919597145.db2.gz CELUSAIMDDILMC-LJQANCHMSA-N 0 3 358.486 1.901 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000788976002 932910984 /nfs/dbraw/zinc/91/09/84/932910984.db2.gz USIFEKPUVAVPKO-UHFFFAOYSA-N 0 3 360.502 1.703 20 10 FDCDHN C[N@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000808243248 940534381 /nfs/dbraw/zinc/53/43/81/940534381.db2.gz BVCZDVKGCHQKQI-AWEZNQCLSA-N 0 3 368.231 1.909 20 10 FDCDHN C[N@@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000808243248 940534382 /nfs/dbraw/zinc/53/43/82/940534382.db2.gz BVCZDVKGCHQKQI-AWEZNQCLSA-N 0 3 368.231 1.909 20 10 FDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000817862414 943050343 /nfs/dbraw/zinc/05/03/43/943050343.db2.gz XMPYTMJRPZSECQ-QFBILLFUSA-N 0 3 374.529 1.709 20 10 FDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817894580 943068328 /nfs/dbraw/zinc/06/83/28/943068328.db2.gz NCGUQJQDOHKWGN-OALUTQOASA-N 0 3 361.486 1.279 20 10 FDCDHN CCn1cc(CNC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000819305627 943510908 /nfs/dbraw/zinc/51/09/08/943510908.db2.gz MNQAFINOUCFSTM-LJQANCHMSA-N 0 3 373.501 1.184 20 10 FDCDHN CN1C(=O)NCC12CCN(Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000822529248 945029214 /nfs/dbraw/zinc/02/92/14/945029214.db2.gz BNUWEWOHHCEJEM-UHFFFAOYSA-N 0 3 362.449 1.652 20 10 FDCDHN CCN(CCO)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824685223 946682931 /nfs/dbraw/zinc/68/29/31/946682931.db2.gz BIBYZXGZXNAYMI-INIZCTEOSA-N 0 3 364.490 1.135 20 10 FDCDHN CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCN(C)C1 ZINC000843992968 947543638 /nfs/dbraw/zinc/54/36/38/947543638.db2.gz VSIMPBOTILSECE-ZDUSSCGKSA-N 0 3 355.460 1.320 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCNC[C@@H]2c2cccnc2)cc1 ZINC000844223872 947857517 /nfs/dbraw/zinc/85/75/17/947857517.db2.gz JAICRBUEYAUFDV-LJQANCHMSA-N 0 3 353.470 1.410 20 10 FDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000775712807 971660792 /nfs/dbraw/zinc/66/07/92/971660792.db2.gz IUKIYDUSMADCAQ-QGZVFWFLSA-N 0 3 351.516 1.305 20 10 FDCDHN C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846183156 950661346 /nfs/dbraw/zinc/66/13/46/950661346.db2.gz FARRESJDUKZZCB-ZFWWWQNUSA-N 0 3 371.478 1.347 20 10 FDCDHN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CN1CCN(C)CC1 ZINC000773368243 961982540 /nfs/dbraw/zinc/98/25/40/961982540.db2.gz QAJJVDWEGGSJPY-IRXDYDNUSA-N 0 3 361.534 1.996 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1[C@H](C)CO)cc2=O ZINC000852427095 967291889 /nfs/dbraw/zinc/29/18/89/967291889.db2.gz ZUZIBKIIZDTTFR-DOMZBBRYSA-N 0 3 362.430 1.595 20 10 FDCDHN CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(O)c1[O-] ZINC000776638096 967783255 /nfs/dbraw/zinc/78/32/55/967783255.db2.gz KNNOGDGCUHBZKA-AWEZNQCLSA-N 0 3 364.442 1.978 20 10 FDCDHN CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cccc(O)c1[O-] ZINC000776638096 967783262 /nfs/dbraw/zinc/78/32/62/967783262.db2.gz KNNOGDGCUHBZKA-AWEZNQCLSA-N 0 3 364.442 1.978 20 10 FDCDHN CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001199270490 974105782 /nfs/dbraw/zinc/10/57/82/974105782.db2.gz KDKNVDYAWBWRMJ-MBSGTICHSA-N 0 3 359.430 1.980 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848352235 976671805 /nfs/dbraw/zinc/67/18/05/976671805.db2.gz NPIXKDQFYFGLBB-GJZGRUSLSA-N 0 3 367.471 1.510 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848352235 976671813 /nfs/dbraw/zinc/67/18/13/976671813.db2.gz NPIXKDQFYFGLBB-GJZGRUSLSA-N 0 3 367.471 1.510 20 10 FDCDHN CNS(=O)(=O)CCN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000848546539 976898148 /nfs/dbraw/zinc/89/81/48/976898148.db2.gz ARSNODOFEDYQGB-MRVPVSSYSA-N 0 3 367.265 1.363 20 10 FDCDHN CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848546539 976898159 /nfs/dbraw/zinc/89/81/59/976898159.db2.gz ARSNODOFEDYQGB-MRVPVSSYSA-N 0 3 367.265 1.363 20 10 FDCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)CC2CN(C)C2)cc1 ZINC000850602536 978465595 /nfs/dbraw/zinc/46/55/95/978465595.db2.gz DVASOBMUGUQQLP-UHFFFAOYSA-N 0 3 360.502 1.511 20 10 FDCDHN C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000883370559 982098710 /nfs/dbraw/zinc/09/87/10/982098710.db2.gz NUXAGTKFDWHWJL-NVXWUHKLSA-N 0 3 351.466 1.979 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884531387 983223807 /nfs/dbraw/zinc/22/38/07/983223807.db2.gz KZEHEKITIXRRCD-UHFFFAOYSA-N 0 3 358.486 1.422 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](CO)CN(C)C)ccc1C ZINC000861717952 983868599 /nfs/dbraw/zinc/86/85/99/983868599.db2.gz IVSSTABZHGJUEO-GOSISDBHSA-N 0 3 357.454 1.867 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1[O-] ZINC000862466486 984396024 /nfs/dbraw/zinc/39/60/24/984396024.db2.gz ZFNUXGGFYHTVEK-AWEZNQCLSA-N 0 3 370.291 1.893 20 10 FDCDHN CN1CC[C@](O)(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888587326 987250936 /nfs/dbraw/zinc/25/09/36/987250936.db2.gz FVTKZNBLJSDNIV-IBGZPJMESA-N 0 3 366.425 1.584 20 10 FDCDHN COc1cc(O)c(CN2CCc3c(CC(N)=O)cccc3C2)cc1OC ZINC000872659443 987920917 /nfs/dbraw/zinc/92/09/17/987920917.db2.gz ASBKBKGUNLPOIH-UHFFFAOYSA-N 0 3 356.422 1.996 20 10 FDCDHN CC[C@@H](C)N1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000296162251 988998995 /nfs/dbraw/zinc/99/89/95/988998995.db2.gz SXCUWJWCOYUITB-GOSISDBHSA-N 0 3 374.529 1.760 20 10 FDCDHN CC[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1[O-] ZINC000373447886 992224428 /nfs/dbraw/zinc/22/44/28/992224428.db2.gz HFWWEJOXSYBSFN-ZWKOTPCHSA-N 0 3 361.486 1.756 20 10 FDCDHN COc1cc(Cl)cc(CN[C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000877672616 993430174 /nfs/dbraw/zinc/43/01/74/993430174.db2.gz ISHLAGQUNRKENE-AWEZNQCLSA-N 0 3 354.834 1.924 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000877672616 993430183 /nfs/dbraw/zinc/43/01/83/993430183.db2.gz ISHLAGQUNRKENE-AWEZNQCLSA-N 0 3 354.834 1.924 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](OC)[C@H]3CCOC3)CC2)c(OC)c1 ZINC000877708541 993459340 /nfs/dbraw/zinc/45/93/40/993459340.db2.gz OETAMVAPCQHSCD-HNAYVOBHSA-N 0 3 350.459 1.877 20 10 FDCDHN COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](CN4CCCCC4)C3=O)C2)cc1 ZINC000924980375 995207916 /nfs/dbraw/zinc/20/79/16/995207916.db2.gz VLGVTQISPBJWMS-SJLPKXTDSA-N 0 3 372.469 1.680 20 10 FDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284112503 999777175 /nfs/dbraw/zinc/77/71/75/999777175.db2.gz OXFYXBLLTOYSPJ-GOSISDBHSA-N 0 3 358.486 1.504 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)C[C@@H]1CCCO1 ZINC000929971226 1002677995 /nfs/dbraw/zinc/67/79/95/1002677995.db2.gz NWBMYVFSUPKDCP-AOIWGVFYSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)C[C@@H]1CCCO1 ZINC000929971226 1002678000 /nfs/dbraw/zinc/67/80/00/1002678000.db2.gz NWBMYVFSUPKDCP-AOIWGVFYSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000929972730 1002679887 /nfs/dbraw/zinc/67/98/87/1002679887.db2.gz UEGYWVZQWLLAKE-FUHWJXTLSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000929972730 1002679889 /nfs/dbraw/zinc/67/98/89/1002679889.db2.gz UEGYWVZQWLLAKE-FUHWJXTLSA-N 0 3 351.443 1.276 20 10 FDCDHN CC1(C)CCN(CCNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000930198484 1002918806 /nfs/dbraw/zinc/91/88/06/1002918806.db2.gz RDDSUWZFDLTMQT-UHFFFAOYSA-N 0 3 370.544 1.590 20 10 FDCDHN CCN(CC)CC(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779512732 1009664624 /nfs/dbraw/zinc/66/46/24/1009664624.db2.gz QPQYGJANLCAYAI-VURMDHGXSA-N 0 3 361.442 1.124 20 10 FDCDHN COc1cc(O)c(CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1OC ZINC000271065080 674304480 /nfs/dbraw/zinc/30/44/80/674304480.db2.gz CCJOORFHPCQTKO-GFCCVEGCSA-N 0 3 358.460 1.171 20 10 FDCDHN CCN1CCN(CCCCNC(=O)NCc2cccc(OC)c2O)CC1 ZINC000073677529 522584441 /nfs/dbraw/zinc/58/44/41/522584441.db2.gz ZZCUKLIODSPQOF-UHFFFAOYSA-N 0 3 364.490 1.618 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCN(CC(C)C)CC3)CC2)cc1 ZINC000049969943 522872311 /nfs/dbraw/zinc/87/23/11/522872311.db2.gz QATOJXQIRWXAIV-UHFFFAOYSA-N 0 3 374.529 1.617 20 10 FDCDHN C[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000089596169 524514599 /nfs/dbraw/zinc/51/45/99/524514599.db2.gz BELCTWLUTZFHEX-YJBOKZPZSA-N 0 3 369.531 1.892 20 10 FDCDHN C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(C)C1CC1 ZINC000105160696 525471323 /nfs/dbraw/zinc/47/13/23/525471323.db2.gz PPFRDEDEXXIMEW-CQSZACIVSA-N 0 3 364.465 1.944 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1[O-] ZINC000180371964 525698242 /nfs/dbraw/zinc/69/82/42/525698242.db2.gz UZCPQEOZNBRZLC-OAHLLOKOSA-N 0 3 373.291 1.588 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1[O-] ZINC000180371964 525698248 /nfs/dbraw/zinc/69/82/48/525698248.db2.gz UZCPQEOZNBRZLC-OAHLLOKOSA-N 0 3 373.291 1.588 20 10 FDCDHN CN(Cc1ccc(N(C)C)cc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000155195141 525777745 /nfs/dbraw/zinc/77/77/45/525777745.db2.gz FXHYUUAFAWEXRX-UHFFFAOYSA-N 0 3 354.502 1.926 20 10 FDCDHN CN1CCO[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267008 526142639 /nfs/dbraw/zinc/14/26/39/526142639.db2.gz JAWLPHASPCBPAF-WBVHZDCISA-N 0 3 367.877 1.457 20 10 FDCDHN C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000183461574 535985117 /nfs/dbraw/zinc/98/51/17/535985117.db2.gz OXOFXXMLPJGJTN-LBPRGKRZSA-N 0 3 365.411 1.930 20 10 FDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000186101913 536225538 /nfs/dbraw/zinc/22/55/38/536225538.db2.gz ZTVPBYFCWXNQBM-OAHLLOKOSA-N 0 3 365.497 1.717 20 10 FDCDHN O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ccccc1O ZINC000263739053 537083972 /nfs/dbraw/zinc/08/39/72/537083972.db2.gz OFVTXXSJNUAJTO-UHFFFAOYSA-N 0 3 369.469 1.799 20 10 FDCDHN COCCN1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264558861 537145689 /nfs/dbraw/zinc/14/56/89/537145689.db2.gz NQFJFLAFLPUHJL-VMPITWQZSA-N 0 3 373.497 1.717 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000190832046 537187827 /nfs/dbraw/zinc/18/78/27/537187827.db2.gz DPOJCYLBJULYTL-MRXNPFEDSA-N 0 3 356.488 1.573 20 10 FDCDHN O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000283076890 537351165 /nfs/dbraw/zinc/35/11/65/537351165.db2.gz VFXJLMCPXLRYKU-HNNXBMFYSA-N 0 3 370.405 1.890 20 10 FDCDHN C[C@H](CO)N1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000364938846 537401277 /nfs/dbraw/zinc/40/12/77/537401277.db2.gz WNQVPKZWVGORBR-KRZKXXONSA-N 0 3 373.497 1.452 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cc2)CC1 ZINC000280391439 537405923 /nfs/dbraw/zinc/40/59/23/537405923.db2.gz XTSDWDPNAXLJSD-HXUWFJFHSA-N 0 3 370.497 1.598 20 10 FDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288168458 537461270 /nfs/dbraw/zinc/46/12/70/537461270.db2.gz ZYSGTCOQGHZQLW-LJQANCHMSA-N 0 3 370.497 1.670 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000365426916 537514100 /nfs/dbraw/zinc/51/41/00/537514100.db2.gz LTUSTFIHNUKMAO-UHFFFAOYSA-N 0 3 367.471 1.510 20 10 FDCDHN CCOc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000285513253 537724047 /nfs/dbraw/zinc/72/40/47/537724047.db2.gz NQJGHMYVTHCXJH-UKRRQHHQSA-N 0 3 356.488 1.989 20 10 FDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285608373 537736378 /nfs/dbraw/zinc/73/63/78/537736378.db2.gz VPNYWYNRWQTDGE-CZUORRHYSA-N 0 3 356.488 1.989 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000573354204 550119303 /nfs/dbraw/zinc/11/93/03/550119303.db2.gz LHBBLPXKVPDBBQ-HNNXBMFYSA-N 0 3 368.481 1.870 20 10 FDCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](CO)CN(C)C)C1 ZINC000614853508 555127699 /nfs/dbraw/zinc/12/76/99/555127699.db2.gz XTUDYZPPMCYLFF-INIZCTEOSA-N 0 3 372.513 1.447 20 10 FDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000111845278 671633641 /nfs/dbraw/zinc/63/36/41/671633641.db2.gz CUFGDZVOSARINV-OAHLLOKOSA-N 0 3 352.454 1.802 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000115899886 671654714 /nfs/dbraw/zinc/65/47/14/671654714.db2.gz PTKSUWAIRBRNJK-OLZOCXBDSA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000115899886 671654715 /nfs/dbraw/zinc/65/47/15/671654715.db2.gz PTKSUWAIRBRNJK-OLZOCXBDSA-N 0 3 369.487 1.614 20 10 FDCDHN CCN1CCN(c2ccc(CN[C@H](C)CS(=O)(=O)CC)cc2F)CC1 ZINC000182885337 672219752 /nfs/dbraw/zinc/21/97/52/672219752.db2.gz HEMDLRKOJCKCRB-OAHLLOKOSA-N 0 3 371.522 1.880 20 10 FDCDHN C[C@H](NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccccc1O ZINC000183605346 672232731 /nfs/dbraw/zinc/23/27/31/672232731.db2.gz WBSWDEMFJVBWQU-AWEZNQCLSA-N 0 3 364.467 1.856 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000891245508 774079651 /nfs/dbraw/zinc/07/96/51/774079651.db2.gz FMGDWKWUTSGUTI-QGZVFWFLSA-N 0 3 373.457 1.305 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc(N(C)C)cn2)N(C)C)cc1 ZINC000891246361 774087745 /nfs/dbraw/zinc/08/77/45/774087745.db2.gz BMQGZDCAWRJHSG-KRWDZBQOSA-N 0 3 356.474 1.641 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2nc3ncccn3n2)N(C)C)cc1 ZINC000891246526 774089780 /nfs/dbraw/zinc/08/97/80/774089780.db2.gz ORKPJWIWBWBOAM-HNNXBMFYSA-N 0 3 353.430 1.223 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCn3ccnc3C2)N(C)C)cc1 ZINC000891249432 774108173 /nfs/dbraw/zinc/10/81/73/774108173.db2.gz QVSBGGNUAHHDDZ-WMZOPIPTSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(N3CCOCC3)CCC2)N(C)C)cc1 ZINC000891248831 774112009 /nfs/dbraw/zinc/11/20/09/774112009.db2.gz OGQLSAKZZXJFKF-LJQANCHMSA-N 0 3 374.529 1.726 20 10 FDCDHN CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000891250307 774123466 /nfs/dbraw/zinc/12/34/66/774123466.db2.gz WKLOQHLXZZUJMZ-ROUUACIJSA-N 0 3 359.474 1.593 20 10 FDCDHN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891253400 774143319 /nfs/dbraw/zinc/14/33/19/774143319.db2.gz SCAMXOUFIJEXNS-QUCCMNQESA-N 0 3 360.502 1.730 20 10 FDCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)N1C(=O)CCC1=O ZINC000891256220 774162630 /nfs/dbraw/zinc/16/26/30/774162630.db2.gz VVLFBLBLFBOARW-CZUORRHYSA-N 0 3 360.458 1.009 20 10 FDCDHN CN1CCN(c2ccc(CNc3ncnc4c3CN(C)CC4)cc2)CC1 ZINC001167431085 774646186 /nfs/dbraw/zinc/64/61/86/774646186.db2.gz GIHMVCWUJXPLHM-UHFFFAOYSA-N 0 3 352.486 1.828 20 10 FDCDHN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](N(C)C)Cc3ccccc32)c1 ZINC000255305764 776788061 /nfs/dbraw/zinc/78/80/61/776788061.db2.gz CZXSKZOPJANBOR-CNZFZVQHSA-N 0 3 364.449 1.974 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2nnc3n2CCC3)N(C)C)cc1 ZINC000891702890 779120359 /nfs/dbraw/zinc/12/03/59/779120359.db2.gz NTKFJHGSAGCVNV-INIZCTEOSA-N 0 3 371.489 1.392 20 10 FDCDHN CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCN(C)C1 ZINC000892115820 781589043 /nfs/dbraw/zinc/58/90/43/781589043.db2.gz UKYPJIPCBNJRFU-INIZCTEOSA-N 0 3 364.465 1.898 20 10 FDCDHN C[C@@H](Cn1cncn1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892567187 787344787 /nfs/dbraw/zinc/34/47/87/787344787.db2.gz CAFQHXQLBLNDQU-YOEHRIQHSA-N 0 3 359.478 1.335 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893134284 793241398 /nfs/dbraw/zinc/24/13/98/793241398.db2.gz HKAMDPZLMJKSAF-UXHICEINSA-N 0 3 370.497 1.803 20 10 FDCDHN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc2c1CCNC2 ZINC000662536185 806835824 /nfs/dbraw/zinc/83/58/24/806835824.db2.gz YTELTISVIAMADE-UHFFFAOYSA-N 0 3 371.462 1.443 20 10 FDCDHN COC(=O)[C@H]1[C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1(F)F ZINC000894193349 810865749 /nfs/dbraw/zinc/86/57/49/810865749.db2.gz PMVLSUJWEHJHON-IUODEOHRSA-N 0 3 358.360 1.806 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419710758 812101831 /nfs/dbraw/zinc/10/18/31/812101831.db2.gz RBLUQNONJOHDQN-ZFWWWQNUSA-N 0 3 372.469 1.332 20 10 FDCDHN COC(=O)c1c(CNC[C@H]2CN(C)CCN2C)c2cc(F)ccc2n1C ZINC000894255075 813963796 /nfs/dbraw/zinc/96/37/96/813963796.db2.gz ABEIZIIIAIQDSK-AWEZNQCLSA-N 0 3 362.449 1.439 20 10 FDCDHN CN(C)Cc1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000271891804 814508322 /nfs/dbraw/zinc/50/83/22/814508322.db2.gz WGUNPGKPJVZVPQ-UHFFFAOYSA-N 0 3 357.410 1.457 20 10 FDCDHN COC(=O)c1c(CNCC(C)(C)OCCO)c2cc(F)ccc2n1C ZINC000894786845 818449550 /nfs/dbraw/zinc/44/95/50/818449550.db2.gz LRXWNVAZEHPZHP-UHFFFAOYSA-N 0 3 352.406 1.981 20 10 FDCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894844274 818794506 /nfs/dbraw/zinc/79/45/06/818794506.db2.gz YLGOMQQSPPJVJT-GXTWGEPZSA-N 0 3 374.453 1.714 20 10 FDCDHN CCc1nnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000895063599 819820137 /nfs/dbraw/zinc/82/01/37/819820137.db2.gz WXXYTSBDSZQASF-HNNXBMFYSA-N 0 3 359.478 1.535 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2nnc(C3CC3)[nH]2)N(C)C)cc1 ZINC000895117112 820498768 /nfs/dbraw/zinc/49/87/68/820498768.db2.gz ZXXXFIISLXRFSV-MRXNPFEDSA-N 0 3 371.489 1.850 20 10 FDCDHN CON1CCC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000895424500 822596489 /nfs/dbraw/zinc/59/64/89/822596489.db2.gz FDOSYUFDORRCEU-SFHVURJKSA-N 0 3 363.506 1.680 20 10 FDCDHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896538031 824515049 /nfs/dbraw/zinc/51/50/49/824515049.db2.gz RBINYQFSVFLZRK-DJIMGWMZSA-N 0 3 362.474 1.464 20 10 FDCDHN COC(=O)c1c(CNCCO[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000897200491 827146010 /nfs/dbraw/zinc/14/60/10/827146010.db2.gz WNNDQYHZZXYGMO-ZDUSSCGKSA-N 0 3 350.390 1.999 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(O)CCOCC2)N(C)C)cc1 ZINC000899102116 845774444 /nfs/dbraw/zinc/77/44/44/845774444.db2.gz KFOUUFPNQGMGIG-QGZVFWFLSA-N 0 3 364.490 1.196 20 10 FDCDHN C[C@H]1c2nncn2CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103391 845776633 /nfs/dbraw/zinc/77/66/33/845776633.db2.gz LIPLPYQJXVDTIA-YOEHRIQHSA-N 0 3 371.489 1.733 20 10 FDCDHN CO[C@@](C)(CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098978 845792413 /nfs/dbraw/zinc/79/24/13/845792413.db2.gz UIVQZKNNQMWJFS-FUHWJXTLSA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)N(C)C)cc1 ZINC000899100643 845797585 /nfs/dbraw/zinc/79/75/85/845797585.db2.gz BBLQGSSZMFMELR-KSZLIROESA-N 0 3 362.474 1.165 20 10 FDCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCN1C ZINC000914255772 872073352 /nfs/dbraw/zinc/07/33/52/872073352.db2.gz WLUGESGQYPKVSS-HNAYVOBHSA-N 0 3 360.502 1.787 20 10 FDCDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978054 873997464 /nfs/dbraw/zinc/99/74/64/873997464.db2.gz CBBVBDGSPQLJEL-SFHVURJKSA-N 0 3 374.510 1.822 20 10 FDCDHN COC[C@@H](C)NC(=O)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075030 882914700 /nfs/dbraw/zinc/91/47/00/882914700.db2.gz OWMPVFMIAUAPNS-OAHLLOKOSA-N 0 3 364.490 1.824 20 10 FDCDHN NC(=O)C1CCN(c2ccc(CNCc3cnn(CCF)c3)cc2)CC1 ZINC000922337205 877733328 /nfs/dbraw/zinc/73/33/28/877733328.db2.gz AEINGINACZGPLN-UHFFFAOYSA-N 0 3 359.449 1.844 20 10 FDCDHN Cc1cc(O)c(CNCC(=O)NCC(=O)NCc2ccccc2)cc1C ZINC000922768340 879226280 /nfs/dbraw/zinc/22/62/80/879226280.db2.gz GGNRTCSDTALCJR-UHFFFAOYSA-N 0 3 355.438 1.531 20 10 FDCDHN CN(Cc1cccs1)c1ccc(CNC[C@@H](O)CS(C)(=O)=O)cc1 ZINC000922822541 879420605 /nfs/dbraw/zinc/42/06/05/879420605.db2.gz HXTPPJGLEGDXLA-MRXNPFEDSA-N 0 3 368.524 1.880 20 10 FDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000186140280 902113390 /nfs/dbraw/zinc/11/33/90/902113390.db2.gz OJNUZABWMVBIOB-QGZVFWFLSA-N 0 3 373.545 1.894 20 10 FDCDHN CN(C)C[C@H]1CN(S(=O)(=O)c2cccc3nonc32)c2ccccc2O1 ZINC000765202631 906532837 /nfs/dbraw/zinc/53/28/37/906532837.db2.gz JHBNMOPKORJHAT-LBPRGKRZSA-N 0 3 374.422 1.741 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000785439850 908703910 /nfs/dbraw/zinc/70/39/10/908703910.db2.gz XDTXNEHLJPSOKB-QGZVFWFLSA-N 0 3 360.502 1.605 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000732064376 918978139 /nfs/dbraw/zinc/97/81/39/918978139.db2.gz KABYNWFGQJJZEW-LJQANCHMSA-N 0 3 362.518 1.520 20 10 FDCDHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000732464206 919640037 /nfs/dbraw/zinc/64/00/37/919640037.db2.gz ZTLZCINIUFUZOS-KGLIPLIRSA-N 0 3 351.447 1.872 20 10 FDCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000746148427 927639939 /nfs/dbraw/zinc/63/99/39/927639939.db2.gz WTCZOKSZMNIYJR-NUJGCVRESA-N 0 3 372.513 1.877 20 10 FDCDHN O=C(NCCCSc1nccs1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000806277068 939876306 /nfs/dbraw/zinc/87/63/06/939876306.db2.gz OSWOMDDYASBVKN-ZDUSSCGKSA-N 0 3 368.528 1.438 20 10 FDCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000806328826 939900746 /nfs/dbraw/zinc/90/07/46/939900746.db2.gz KMFLUXNMQICKBZ-QGZVFWFLSA-N 0 3 360.502 1.702 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000807101043 940249630 /nfs/dbraw/zinc/24/96/30/940249630.db2.gz SKOHHJOSMXCFOR-HNNXBMFYSA-N 0 3 358.486 1.444 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000807679453 940454611 /nfs/dbraw/zinc/45/46/11/940454611.db2.gz RVVZPJIDLLPETL-LSDHHAIUSA-N 0 3 358.486 1.696 20 10 FDCDHN CNc1nc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001134882044 941789067 /nfs/dbraw/zinc/78/90/67/941789067.db2.gz KQFHCTVEIQKSRT-QGZVFWFLSA-N 0 3 356.474 1.925 20 10 FDCDHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000817862413 943050376 /nfs/dbraw/zinc/05/03/76/943050376.db2.gz XMPYTMJRPZSECQ-LPHOPBHVSA-N 0 3 374.529 1.709 20 10 FDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CN4CCN3CCC4)C2)cc1 ZINC000819585499 943635211 /nfs/dbraw/zinc/63/52/11/943635211.db2.gz FWOPJJFBNOYWMW-APWZRJJASA-N 0 3 358.486 1.028 20 10 FDCDHN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000821436307 944503495 /nfs/dbraw/zinc/50/34/95/944503495.db2.gz MBMQJMDNOSBRRI-YOEHRIQHSA-N 0 3 372.473 1.947 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)C(C)(C)c3cnc[nH]3)CC2)cc1 ZINC000857123074 971592135 /nfs/dbraw/zinc/59/21/35/971592135.db2.gz OBLWLQJXBDBNQQ-UHFFFAOYSA-N 0 3 371.485 1.634 20 10 FDCDHN C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1cccc(O)c1[O-])CCC2 ZINC001148214766 952649426 /nfs/dbraw/zinc/64/94/26/952649426.db2.gz WTQSYJAJPRVDMU-UHFFFAOYSA-N 0 3 374.441 1.419 20 10 FDCDHN COc1ccc(N2CCN([C@H]3CCN(C4CC4)C(=O)C3)CC2)c(OC)c1 ZINC001172019236 961407749 /nfs/dbraw/zinc/40/77/49/961407749.db2.gz KBCZZODWPIBOBF-INIZCTEOSA-N 0 3 359.470 1.979 20 10 FDCDHN CN1CCN(c2ccc(CN3CCCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000775192725 966533772 /nfs/dbraw/zinc/53/37/72/966533772.db2.gz OMZMJUFZJZHIEX-IBGZPJMESA-N 0 3 365.543 1.838 20 10 FDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000775361931 967615076 /nfs/dbraw/zinc/61/50/76/967615076.db2.gz DUTRVYNCICCMHU-RWMBFGLXSA-N 0 3 370.471 1.085 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000866154476 975439450 /nfs/dbraw/zinc/43/94/50/975439450.db2.gz SOKJNLRMGXEPLC-UHFFFAOYSA-N 0 3 359.518 1.674 20 10 FDCDHN CN(C)CCCS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866827844 976124346 /nfs/dbraw/zinc/12/43/46/976124346.db2.gz BLGJGBIKQMZBHZ-INIZCTEOSA-N 0 3 356.488 1.655 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)NCCCCn3ccnc3)cc2)CC1 ZINC000883174300 981995876 /nfs/dbraw/zinc/99/58/76/981995876.db2.gz HRDQXSWVEYIZGM-UHFFFAOYSA-N 0 3 370.501 1.915 20 10 FDCDHN C[C@@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883373218 982102620 /nfs/dbraw/zinc/10/26/20/982102620.db2.gz FHNHETMQQKQGLW-BPLDGKMQSA-N 0 3 356.463 1.889 20 10 FDCDHN C[C@H]1C[C@H]([NH2+]CCc2nnc3c(=O)n(C)ccn23)c2c1c(F)ccc2[O-] ZINC000886699046 986483639 /nfs/dbraw/zinc/48/36/39/986483639.db2.gz RWLCIJGYKHLPDV-JQWIXIFHSA-N 0 3 357.389 1.653 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([C@H]4CCCO4)C3)CC2)cc1 ZINC000886835692 986629656 /nfs/dbraw/zinc/62/96/56/986629656.db2.gz PIBOGYIQFPALAE-YLJYHZDGSA-N 0 3 373.497 1.845 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000825728325 990224079 /nfs/dbraw/zinc/22/40/79/990224079.db2.gz TYCARMFJWYVSBC-WAOWUJCRSA-N 0 3 373.497 1.876 20 10 FDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000924255134 994522076 /nfs/dbraw/zinc/52/20/76/994522076.db2.gz MFKBERAJYBJKLU-UHFFFAOYSA-N 0 3 358.486 1.489 20 10 FDCDHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000924687666 994932836 /nfs/dbraw/zinc/93/28/36/994932836.db2.gz XXXQAGQHWMNMMZ-SFHVURJKSA-N 0 3 354.454 1.969 20 10 FDCDHN C[C@@H](NCC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000879648838 995135823 /nfs/dbraw/zinc/13/58/23/995135823.db2.gz BQCJYGDWPZPTSN-CYBMUJFWSA-N 0 3 362.451 1.763 20 10 FDCDHN C[C@@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000879648838 995135835 /nfs/dbraw/zinc/13/58/35/995135835.db2.gz BQCJYGDWPZPTSN-CYBMUJFWSA-N 0 3 362.451 1.763 20 10 FDCDHN C[C@H](NCC(=O)NCC(=O)NCc1ccccc1)c1cc(F)ccc1O ZINC000926964080 996375845 /nfs/dbraw/zinc/37/58/45/996375845.db2.gz JECCJPRBBSHYAQ-ZDUSSCGKSA-N 0 3 359.401 1.615 20 10 FDCDHN O=C(CNC(=O)CN[C@@H]1CCc2cccc(O)c21)NCc1ccccc1 ZINC000926965270 996377274 /nfs/dbraw/zinc/37/72/74/996377274.db2.gz RQDHFJHVQVDOQR-MRXNPFEDSA-N 0 3 353.422 1.402 20 10 FDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000888003087 998014745 /nfs/dbraw/zinc/01/47/45/998014745.db2.gz FDWXOMCWSSXSOO-CYBMUJFWSA-N 0 3 365.453 1.153 20 10 FDCDHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706516 1001632359 /nfs/dbraw/zinc/63/23/59/1001632359.db2.gz VLNXXOUSEQLULD-ZIAGYGMSSA-N 0 3 363.433 1.480 20 10 FDCDHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706516 1001632363 /nfs/dbraw/zinc/63/23/63/1001632363.db2.gz VLNXXOUSEQLULD-ZIAGYGMSSA-N 0 3 363.433 1.480 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1[O-] ZINC000795584290 1007039944 /nfs/dbraw/zinc/03/99/44/1007039944.db2.gz PGYIJXGBKWBIML-CMPLNLGQSA-N 0 3 360.248 1.898 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000795584292 1007040190 /nfs/dbraw/zinc/04/01/90/1007040190.db2.gz PGYIJXGBKWBIML-PWSUYJOCSA-N 0 3 360.248 1.898 20 10 FDCDHN CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000268252932 674086223 /nfs/dbraw/zinc/08/62/23/674086223.db2.gz XEVYGXCUIXUZDB-ZDUSSCGKSA-N 0 3 357.476 1.470 20 10 FDCDHN CC[C@H](C)N(C)CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000552747328 543513003 /nfs/dbraw/zinc/51/30/03/543513003.db2.gz CRMXXRPCXHUFLL-AWEZNQCLSA-N 0 3 358.486 1.949 20 10 FDCDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000271226963 674325189 /nfs/dbraw/zinc/32/51/89/674325189.db2.gz CHSQUKAFIYJVOX-IUODEOHRSA-N 0 3 367.471 1.320 20 10 FDCDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000271226963 674325187 /nfs/dbraw/zinc/32/51/87/674325187.db2.gz CHSQUKAFIYJVOX-IUODEOHRSA-N 0 3 367.471 1.320 20 10 FDCDHN CC1CC[NH+](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000055253432 523780318 /nfs/dbraw/zinc/78/03/18/523780318.db2.gz IHCUUPFXVIYBGX-UHFFFAOYSA-N 0 3 355.460 1.225 20 10 FDCDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000271662382 674366818 /nfs/dbraw/zinc/36/68/18/674366818.db2.gz DNZTXZDFVNDEIU-QZTJIDSGSA-N 0 3 352.500 1.969 20 10 FDCDHN COc1ccc(O)c(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000179746646 525623576 /nfs/dbraw/zinc/62/35/76/525623576.db2.gz LEUCUUMSZAZEKC-UHFFFAOYSA-N 0 3 350.440 1.941 20 10 FDCDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000186019835 536223599 /nfs/dbraw/zinc/22/35/99/536223599.db2.gz MIIUNNHOLJCWKI-GJZGRUSLSA-N 0 3 356.488 1.840 20 10 FDCDHN COc1c([O-])c(C[NH2+][C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278295231 537294778 /nfs/dbraw/zinc/29/47/78/537294778.db2.gz CBXWCRNEWSWGRX-CYBMUJFWSA-N 0 3 352.435 1.425 20 10 FDCDHN CCCCN(CC(=O)NC(=O)N[C@@H](C)COC)Cc1ccccc1O ZINC000282338931 537318521 /nfs/dbraw/zinc/31/85/21/537318521.db2.gz BSWZGFNCLPYHNM-AWEZNQCLSA-N 0 3 351.447 1.855 20 10 FDCDHN CCN1CCN(CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278916083 537343114 /nfs/dbraw/zinc/34/31/14/537343114.db2.gz UBTJHKQSQVHEDR-UHFFFAOYSA-N 0 3 366.462 1.816 20 10 FDCDHN COc1ccc(O)c(CN[C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000368625635 537984846 /nfs/dbraw/zinc/98/48/46/537984846.db2.gz QARKTXSWJCRFAK-QGZVFWFLSA-N 0 3 356.426 1.780 20 10 FDCDHN COc1cc(O)c(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1OC ZINC000271746677 674377592 /nfs/dbraw/zinc/37/75/92/674377592.db2.gz TUIUSLNIKGCIEQ-AWEZNQCLSA-N 0 3 372.487 1.703 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278494911 675144649 /nfs/dbraw/zinc/14/46/49/675144649.db2.gz HDNFUXHWTBQMKZ-UHFFFAOYSA-N 0 3 367.471 1.368 20 10 FDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCCSc1nccs1 ZINC000185545513 672261105 /nfs/dbraw/zinc/26/11/05/672261105.db2.gz PXPKPXIPTVISBW-AWEZNQCLSA-N 0 3 371.576 1.951 20 10 FDCDHN CCOc1ccc(O)c(CNCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000264770995 672924507 /nfs/dbraw/zinc/92/45/07/672924507.db2.gz WDNHTEMFWWNLDT-INIZCTEOSA-N 0 3 372.487 1.369 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529646335 694790838 /nfs/dbraw/zinc/79/08/38/694790838.db2.gz ZKFCSDCPVVHRJL-SFHVURJKSA-N 0 3 370.877 1.760 20 10 FDCDHN C/C(=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CN1CCOCC1 ZINC000891245591 774080228 /nfs/dbraw/zinc/08/02/28/774080228.db2.gz HHWVHIJZBYVWNI-PZSQYBTKSA-N 0 3 374.529 1.750 20 10 FDCDHN CO[C@@H]1COCC[C@H]1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246675 774089565 /nfs/dbraw/zinc/08/95/65/774089565.db2.gz DUARUHOHEQSWDX-QXAKKESOSA-N 0 3 363.502 1.913 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3ncccn3n2)N(C)C)cc1 ZINC000891247265 774093139 /nfs/dbraw/zinc/09/31/39/774093139.db2.gz HVFGDUMWEHBXDO-QGZVFWFLSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnc3n[nH]nc32)N(C)C)cc1 ZINC000891248403 774097328 /nfs/dbraw/zinc/09/73/28/774097328.db2.gz MJJWYNKUQKVCBB-HNNXBMFYSA-N 0 3 353.430 1.452 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)COCc2nccn2C)N(C)C)cc1 ZINC000891249217 774104812 /nfs/dbraw/zinc/10/48/12/774104812.db2.gz PKJGBHNOTUSSGS-KRWDZBQOSA-N 0 3 359.474 1.422 20 10 FDCDHN CO[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000891250309 774123494 /nfs/dbraw/zinc/12/34/94/774123494.db2.gz WKLOQHLXZZUJMZ-ZWKOTPCHSA-N 0 3 359.474 1.593 20 10 FDCDHN Cc1cc(O)cc(=O)n1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251952 774124313 /nfs/dbraw/zinc/12/43/13/774124313.db2.gz IOFKLPRYVFKJSQ-GOSISDBHSA-N 0 3 372.469 1.347 20 10 FDCDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894076890 809897199 /nfs/dbraw/zinc/89/71/99/809897199.db2.gz RAFNMKXUUBHRTD-HIFRSBDPSA-N 0 3 355.431 1.255 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC2COC(C)(C)OC2)N(C)C)cc1 ZINC000894179550 810844153 /nfs/dbraw/zinc/84/41/53/810844153.db2.gz YVLOSKWQQCIJIB-KRWDZBQOSA-N 0 3 364.490 1.806 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCOCC(F)F)N(C)C)cc1 ZINC000894366804 817727796 /nfs/dbraw/zinc/72/77/96/817727796.db2.gz HUUPGPAHFOOHRR-HNNXBMFYSA-N 0 3 358.433 1.936 20 10 FDCDHN CCN1CC[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000894678371 818301028 /nfs/dbraw/zinc/30/10/28/818301028.db2.gz HJEWPGKJCBIQIP-DLBZAZTESA-N 0 3 361.490 1.275 20 10 FDCDHN COC(=O)[C@@]1(CNCc2ccc(N(C)C)cc2C)C[C@@H]1S(C)(=O)=O ZINC000895510596 822632641 /nfs/dbraw/zinc/63/26/41/822632641.db2.gz QMWFYLPTQGEDAV-DOTOQJQBSA-N 0 3 354.472 1.127 20 10 FDCDHN CCN(OC)C(=O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895514355 822635140 /nfs/dbraw/zinc/63/51/40/822635140.db2.gz NGAATLHRQYXVIL-MRXNPFEDSA-N 0 3 365.478 1.064 20 10 FDCDHN Cc1cncc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000895826476 822754345 /nfs/dbraw/zinc/75/43/45/822754345.db2.gz WFKSILDGHJWNCC-LJQANCHMSA-N 0 3 370.501 1.996 20 10 FDCDHN CCc1cccc(CNCC(=O)NCC(=O)N(C)Cc2ccccc2)c1O ZINC000896886258 825697021 /nfs/dbraw/zinc/69/70/21/825697021.db2.gz WOQRUZMWWJKUJW-UHFFFAOYSA-N 0 3 369.465 1.819 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCC3(CC2)C[C@@H](O)CNC3=O)cc1F ZINC000897047483 826817299 /nfs/dbraw/zinc/81/72/99/826817299.db2.gz WWTYPTIFNIHVTG-CYBMUJFWSA-N 0 3 353.413 1.494 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(N3CCCC3=O)C2)N(C)C)cc1 ZINC000899095392 845756522 /nfs/dbraw/zinc/75/65/22/845756522.db2.gz JBYCXRKESNHFHK-SFHVURJKSA-N 0 3 373.501 1.372 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)c2ccnn2C)N(C)C)cc1 ZINC000899097098 845758581 /nfs/dbraw/zinc/75/85/81/845758581.db2.gz ZUXHWSRASWUMPX-ROUUACIJSA-N 0 3 374.489 1.122 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)N(C)C)cc1 ZINC000899097715 845760021 /nfs/dbraw/zinc/76/00/21/845760021.db2.gz FUKCZLJRNFHCSE-DJIMGWMZSA-N 0 3 360.458 1.170 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)c2cnn(C)c2)N(C)C)cc1 ZINC000899102607 845775233 /nfs/dbraw/zinc/77/52/33/845775233.db2.gz RGSLSMZJLCRHAP-QZTJIDSGSA-N 0 3 374.489 1.122 20 10 FDCDHN CO[C@@](C)(CO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098980 845792955 /nfs/dbraw/zinc/79/29/55/845792955.db2.gz UIVQZKNNQMWJFS-SJLPKXTDSA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](CC(N)=O)C2)N(C)C)cc1 ZINC000899101267 845798474 /nfs/dbraw/zinc/79/84/74/845798474.db2.gz GVGIPQIYLFVZSP-YOEHRIQHSA-N 0 3 361.490 1.262 20 10 FDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)N(C)C ZINC000899473455 846277229 /nfs/dbraw/zinc/27/72/29/846277229.db2.gz SEMDFIRAABBWJH-SFHVURJKSA-N 0 3 360.502 1.591 20 10 FDCDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)N(C)C ZINC000899473454 846277779 /nfs/dbraw/zinc/27/77/79/846277779.db2.gz SEMDFIRAABBWJH-GOSISDBHSA-N 0 3 360.502 1.591 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=S)NC2CCOCC2)N(C)C)cc1 ZINC000899724079 846625522 /nfs/dbraw/zinc/62/55/22/846625522.db2.gz JOCBPHKPJDYGOV-KRWDZBQOSA-N 0 3 350.532 1.998 20 10 FDCDHN CN(C)c1ccc([C@H](CNS(=O)(=O)CC2(N(C)C)CC2)N(C)C)cc1 ZINC000908460728 855446533 /nfs/dbraw/zinc/44/65/33/855446533.db2.gz YLOPYZIHAPAMCG-KRWDZBQOSA-N 0 3 368.547 1.369 20 10 FDCDHN C/C(=C/C(=O)NCc1ccc(N2CCN(C)CC2)cc1)CN1CCOCC1 ZINC000918838629 884953581 /nfs/dbraw/zinc/95/35/81/884953581.db2.gz KSIYGGOSUSGPOT-SDXDJHTJSA-N 0 3 372.513 1.333 20 10 FDCDHN CN1CCN(C)[C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000732230720 919277699 /nfs/dbraw/zinc/27/76/99/919277699.db2.gz ORAZGWKWSYVCNE-QGZVFWFLSA-N 0 3 361.490 1.921 20 10 FDCDHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000732464205 919639768 /nfs/dbraw/zinc/63/97/68/919639768.db2.gz ZTLZCINIUFUZOS-KBPBESRZSA-N 0 3 351.447 1.872 20 10 FDCDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000793898027 938342556 /nfs/dbraw/zinc/34/25/56/938342556.db2.gz VHPUWHROYGHZAB-DLBZAZTESA-N 0 3 374.529 1.948 20 10 FDCDHN CC(C)NC(=O)CN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775644901 970768234 /nfs/dbraw/zinc/76/82/34/970768234.db2.gz WWXGNNORQDWUQQ-UHFFFAOYSA-N 0 3 373.545 1.081 20 10 FDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1Cl ZINC000825267523 947100979 /nfs/dbraw/zinc/10/09/79/947100979.db2.gz VELKHVIBXHUPBJ-MRXNPFEDSA-N 0 3 353.894 1.850 20 10 FDCDHN C[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc(N(C)C)cc1 ZINC000845123274 948745804 /nfs/dbraw/zinc/74/58/04/948745804.db2.gz ANYFCOUEPIFFCD-OAHLLOKOSA-N 0 3 361.490 1.229 20 10 FDCDHN Oc1cc(O)c(CN2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c(O)c1 ZINC001144509109 949784799 /nfs/dbraw/zinc/78/47/99/949784799.db2.gz LFDQWKQWUQMKDS-XLWVJDPXSA-N 0 3 373.409 1.652 20 10 FDCDHN O=C(NCC1CC1)[C@H]1Cn2nccc2CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144509768 949789051 /nfs/dbraw/zinc/78/90/51/949789051.db2.gz LDPFPMUPUYVGTA-CYBMUJFWSA-N 0 3 372.425 1.158 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCN3C(C)C)CC2)cc1 ZINC001182861961 962606116 /nfs/dbraw/zinc/60/61/16/962606116.db2.gz MITWUCJERDVUMQ-FQEVSTJZSA-N 0 3 374.529 1.806 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC2CCC3(CC2)OCCO3)c1 ZINC000775374772 967749124 /nfs/dbraw/zinc/74/91/24/967749124.db2.gz FJMJAZVNFGXBOU-CYBMUJFWSA-N 0 3 364.442 1.853 20 10 FDCDHN CNC(=O)[C@H](NC(=O)CN[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775376322 967766238 /nfs/dbraw/zinc/76/62/38/967766238.db2.gz STEJWYIMKQELQY-BFUOFWGJSA-N 0 3 371.437 1.655 20 10 FDCDHN Cc1cc(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC000855050077 970122947 /nfs/dbraw/zinc/12/29/47/970122947.db2.gz JKUNJPJEKSTKAE-VQTJNVASSA-N 0 3 353.466 1.914 20 10 FDCDHN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855287986 970271661 /nfs/dbraw/zinc/27/16/61/970271661.db2.gz DTBGEZRZSUYTNU-GFCCVEGCSA-N 0 3 355.460 1.366 20 10 FDCDHN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855287986 970271664 /nfs/dbraw/zinc/27/16/64/970271664.db2.gz DTBGEZRZSUYTNU-GFCCVEGCSA-N 0 3 355.460 1.366 20 10 FDCDHN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000855491732 970414481 /nfs/dbraw/zinc/41/44/81/970414481.db2.gz SXSYIIWODRZICY-CYBMUJFWSA-N 0 3 355.460 1.320 20 10 FDCDHN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000855491732 970414485 /nfs/dbraw/zinc/41/44/85/970414485.db2.gz SXSYIIWODRZICY-CYBMUJFWSA-N 0 3 355.460 1.320 20 10 FDCDHN CCN1CCN(CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000101658141 970695682 /nfs/dbraw/zinc/69/56/82/970695682.db2.gz DPPFNZPUDQHWDD-SFHVURJKSA-N 0 3 374.529 1.728 20 10 FDCDHN CN1CCN(c2ccncc2C(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001199357433 974210181 /nfs/dbraw/zinc/21/01/81/974210181.db2.gz QLDNDWMTBILHFP-UHFFFAOYSA-N 0 3 352.438 1.738 20 10 FDCDHN COc1ccc(N2CCN(CCNCc3cnc(N(C)C)nc3)CC2)cc1 ZINC001199792680 974506844 /nfs/dbraw/zinc/50/68/44/974506844.db2.gz QFTLBPGWZUXLIN-UHFFFAOYSA-N 0 3 370.501 1.463 20 10 FDCDHN CCOC(=O)[C@@H](C)NC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001199851567 974537310 /nfs/dbraw/zinc/53/73/10/974537310.db2.gz GDFDHIYEZLDBMW-CYBMUJFWSA-N 0 3 365.499 1.772 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2)CC1 ZINC000847860518 976099661 /nfs/dbraw/zinc/09/96/61/976099661.db2.gz TZHAMLZTAHOXHS-INIZCTEOSA-N 0 3 358.486 1.313 20 10 FDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)c2ccc3c(c2)C(=O)CC3)cc1 ZINC000848600825 976941125 /nfs/dbraw/zinc/94/11/25/976941125.db2.gz VGWVDHHMYQLKDN-GOSISDBHSA-N 0 3 373.478 1.860 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848929388 977241643 /nfs/dbraw/zinc/24/16/43/977241643.db2.gz FZLSYUILZXKGLD-ROUUACIJSA-N 0 3 358.486 1.502 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848934595 977254849 /nfs/dbraw/zinc/25/48/49/977254849.db2.gz NBSSPKKBDDVOMA-MOPGFXCFSA-N 0 3 372.513 1.810 20 10 FDCDHN CCN(CC)c1ccc(CN(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000851679782 978995014 /nfs/dbraw/zinc/99/50/14/978995014.db2.gz GAXIAXNAALERSN-UHFFFAOYSA-N 0 3 372.473 1.829 20 10 FDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c1 ZINC000851899731 979174404 /nfs/dbraw/zinc/17/44/04/979174404.db2.gz DQNFSAKVSXPIOL-SWLSCSKDSA-N 0 3 364.442 1.994 20 10 FDCDHN Cc1ncc2n1CC[C@@H](C(=O)NCc1ccc(N3CCN(C)CC3)cc1)C2 ZINC000881853179 980217340 /nfs/dbraw/zinc/21/73/40/980217340.db2.gz MMGSHOUHDHLQEU-GOSISDBHSA-N 0 3 367.497 1.822 20 10 FDCDHN CN1CCN(c2ccc(CNc3nccc(N4CCOCC4)n3)cc2)CC1 ZINC000882880495 981770748 /nfs/dbraw/zinc/77/07/48/981770748.db2.gz VTESWHDBMSNQRE-UHFFFAOYSA-N 0 3 368.485 1.677 20 10 FDCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000883372402 982101876 /nfs/dbraw/zinc/10/18/76/982101876.db2.gz ZJLOLNVHFKRVSS-GOSISDBHSA-N 0 3 363.502 1.677 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000883379007 982104965 /nfs/dbraw/zinc/10/49/65/982104965.db2.gz IRRBSVDLALCCIJ-XYPYZODXSA-N 0 3 364.261 1.829 20 10 FDCDHN COCC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229394 983003795 /nfs/dbraw/zinc/00/37/95/983003795.db2.gz PJGOSWDLIXBTML-IUODEOHRSA-N 0 3 357.401 1.737 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1F ZINC000862386958 984369438 /nfs/dbraw/zinc/36/94/38/984369438.db2.gz FHUTYJZWMQQDPF-HNNXBMFYSA-N 0 3 366.456 1.817 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCNC2=O)c1[O-] ZINC000886744931 986540086 /nfs/dbraw/zinc/54/00/86/986540086.db2.gz KKQBMNQPEZWEPO-SECBINFHSA-N 0 3 358.236 1.839 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)Cn3cnc4nccnc43)CC2)cc1 ZINC000871986831 987410952 /nfs/dbraw/zinc/41/09/52/987410952.db2.gz JNOHJFWAHGNTTP-MRXNPFEDSA-N 0 3 368.441 1.018 20 10 FDCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873130639 988594414 /nfs/dbraw/zinc/59/44/14/988594414.db2.gz FJENQKSXQHBSLS-MRXNPFEDSA-N 0 3 366.487 1.357 20 10 FDCDHN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000364917970 989889416 /nfs/dbraw/zinc/88/94/16/989889416.db2.gz ZFDGQQJQVAOQPL-LBPRGKRZSA-N 0 3 372.425 1.925 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c([O-])c1 ZINC000371332729 990363487 /nfs/dbraw/zinc/36/34/87/990363487.db2.gz RBBVYUSQPUWUSD-IFXJQAMLSA-N 0 3 361.442 1.991 20 10 FDCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c([O-])c1 ZINC000371332729 990363496 /nfs/dbraw/zinc/36/34/96/990363496.db2.gz RBBVYUSQPUWUSD-IFXJQAMLSA-N 0 3 361.442 1.991 20 10 FDCDHN C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000874835253 990559187 /nfs/dbraw/zinc/55/91/87/990559187.db2.gz XSEMLFCZYDILFJ-ZIAGYGMSSA-N 0 3 353.444 1.072 20 10 FDCDHN C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000874835253 990559192 /nfs/dbraw/zinc/55/91/92/990559192.db2.gz XSEMLFCZYDILFJ-ZIAGYGMSSA-N 0 3 353.444 1.072 20 10 FDCDHN O=C(CNCc1cc2c(cc1O)OCO2)N[C@@H]1CCOc2ccccc21 ZINC000374292463 992755483 /nfs/dbraw/zinc/75/54/83/992755483.db2.gz GOFCXVNXKSGNQI-CQSZACIVSA-N 0 3 356.378 1.851 20 10 FDCDHN COc1ccc(N2CC[C@H](NCc3cccc(S(N)(=O)=O)c3)C2)cc1 ZINC000877621415 993385317 /nfs/dbraw/zinc/38/53/17/993385317.db2.gz WNWDRCMLWRPXFG-HNNXBMFYSA-N 0 3 361.467 1.711 20 10 FDCDHN CN1CCN(c2ccc(CN3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000877790745 993515636 /nfs/dbraw/zinc/51/56/36/993515636.db2.gz GRHYXJKMVZFBIW-MSOLQXFVSA-N 0 3 363.527 1.305 20 10 FDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127250793 994088082 /nfs/dbraw/zinc/08/80/82/994088082.db2.gz HTHCDTSVMYNXEW-LJQANCHMSA-N 0 3 358.486 1.973 20 10 FDCDHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000074261705 995329785 /nfs/dbraw/zinc/32/97/85/995329785.db2.gz PNBICGGQJWBJEA-OAHLLOKOSA-N 0 3 364.490 1.474 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1ccccc1O)cc2=O ZINC000264614166 997556014 /nfs/dbraw/zinc/55/60/14/997556014.db2.gz OMJKGGXGYQCETN-UHFFFAOYSA-N 0 3 356.382 1.949 20 10 FDCDHN CCOC[C@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000265006726 997671704 /nfs/dbraw/zinc/67/17/04/997671704.db2.gz DXWLUCKBPHZERO-ZDUSSCGKSA-N 0 3 362.430 1.860 20 10 FDCDHN CC[C@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)N(C)C ZINC000274151019 999736439 /nfs/dbraw/zinc/73/64/39/999736439.db2.gz FVJMEPOMFCVLEF-OAHLLOKOSA-N 0 3 365.474 1.701 20 10 FDCDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283314897 999748439 /nfs/dbraw/zinc/74/84/39/999748439.db2.gz BRHLQGOLTQHYFE-JKSUJKDBSA-N 0 3 360.502 1.605 20 10 FDCDHN CC1CCN(c2ccc(CNC(=O)C(=O)N(C)CCN(C)C)cc2)CC1 ZINC000288319980 1000007284 /nfs/dbraw/zinc/00/72/84/1000007284.db2.gz WSUHCSKFDFHNIP-UHFFFAOYSA-N 0 3 360.502 1.559 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)C3CCN(C)CC3)cc2F)CC1 ZINC000073455961 522531308 /nfs/dbraw/zinc/53/13/08/522531308.db2.gz IWZSWBKVLCAMPB-UHFFFAOYSA-N 0 3 362.493 1.926 20 10 FDCDHN CN1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000079854838 523799200 /nfs/dbraw/zinc/79/92/00/523799200.db2.gz DNKFVUYHFAGCKR-UHFFFAOYSA-N 0 3 364.465 1.680 20 10 FDCDHN CC(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)S(C)(=O)=O ZINC000055531071 523821508 /nfs/dbraw/zinc/82/15/08/523821508.db2.gz KGGSDBFONQZDSB-JHJVBQTASA-N 0 3 372.462 1.489 20 10 FDCDHN COCCCN(C)CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000152465351 524895157 /nfs/dbraw/zinc/89/51/57/524895157.db2.gz ZJPPMTLSFXXZBW-RMKNXTFCSA-N 0 3 361.486 1.621 20 10 FDCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000124627513 525038233 /nfs/dbraw/zinc/03/82/33/525038233.db2.gz BLGMTBSMURJKQV-UHFFFAOYSA-N 0 3 356.426 1.975 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3[C@H](C)O)CC2)cc1 ZINC000170956557 525783247 /nfs/dbraw/zinc/78/32/47/525783247.db2.gz FDUJKFCWHWOZDH-LPHOPBHVSA-N 0 3 361.486 1.579 20 10 FDCDHN C[C@@H]1CN(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)CCO1 ZINC000108871476 526038707 /nfs/dbraw/zinc/03/87/07/526038707.db2.gz JTWQKZYOHRDWND-QGZVFWFLSA-N 0 3 374.529 1.554 20 10 FDCDHN C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000185341113 536205967 /nfs/dbraw/zinc/20/59/67/536205967.db2.gz ZEJKBARYSYTTMK-GFCCVEGCSA-N 0 3 370.291 1.969 20 10 FDCDHN COc1c([O-])c(C[NH+]2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000278255289 537285708 /nfs/dbraw/zinc/28/57/08/537285708.db2.gz PSVXWHBFTQBBOQ-UHFFFAOYSA-N 0 3 365.430 1.853 20 10 FDCDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000272508435 537288286 /nfs/dbraw/zinc/28/82/86/537288286.db2.gz WZGOGPFZNCJGLK-PKOBYXMFSA-N 0 3 358.486 1.759 20 10 FDCDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000285794186 537289409 /nfs/dbraw/zinc/28/94/09/537289409.db2.gz UZOZUIJAFMWEFE-QAPCUYQASA-N 0 3 372.513 1.626 20 10 FDCDHN NC(=O)c1cccnc1N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000363486073 537606722 /nfs/dbraw/zinc/60/67/22/537606722.db2.gz SFEGDDJZJPAQDL-UHFFFAOYSA-N 0 3 370.409 1.327 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC2CCN(C)CC2)cc1F ZINC000285166998 537642992 /nfs/dbraw/zinc/64/29/92/537642992.db2.gz ZTOUSHGQLCYIAG-UHFFFAOYSA-N 0 3 364.465 1.499 20 10 FDCDHN CCN(CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000285691040 537746709 /nfs/dbraw/zinc/74/67/09/537746709.db2.gz KNJDKGSRKZJAHU-UHFFFAOYSA-N 0 3 350.438 1.108 20 10 FDCDHN C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1[O-] ZINC000367780632 677495598 /nfs/dbraw/zinc/49/55/98/677495598.db2.gz DMDIALJGQMKLNF-LSDHHAIUSA-N 0 3 369.487 1.084 20 10 FDCDHN CCS(=O)(=O)NCCN(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000369815799 677519060 /nfs/dbraw/zinc/51/90/60/677519060.db2.gz GWIUKNCBBRHUPH-UHFFFAOYSA-N 0 3 355.504 1.535 20 10 FDCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1F ZINC000377578753 678566334 /nfs/dbraw/zinc/56/63/34/678566334.db2.gz BGKYLWUMGSXQKN-LSDHHAIUSA-N 0 3 350.438 1.554 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2ncc3cccnc32)N(C)C)cc1 ZINC000891246086 774084614 /nfs/dbraw/zinc/08/46/14/774084614.db2.gz LYDSIBXDJVEXOK-GOSISDBHSA-N 0 3 366.469 1.916 20 10 FDCDHN COCCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000891247418 774094272 /nfs/dbraw/zinc/09/42/72/774094272.db2.gz HDEDOWXWVZBCIW-IBGZPJMESA-N 0 3 373.501 1.937 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N(C)C)cc1 ZINC000891247539 774094646 /nfs/dbraw/zinc/09/46/46/774094646.db2.gz ICKOJPWLJPDPSX-CQSZACIVSA-N 0 3 360.418 1.427 20 10 FDCDHN COCCn1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891249610 774110112 /nfs/dbraw/zinc/11/01/12/774110112.db2.gz UZVHFQRBEBDVFX-GOSISDBHSA-N 0 3 359.474 1.628 20 10 FDCDHN COC(=O)c1ccnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891249871 774110783 /nfs/dbraw/zinc/11/07/83/774110783.db2.gz UFTWZEJXTICLPU-GOSISDBHSA-N 0 3 370.453 1.967 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(C(N)=O)cn2C)N(C)C)cc1 ZINC000891253372 774142605 /nfs/dbraw/zinc/14/26/05/774142605.db2.gz RSFICCHWQCTFHK-KRWDZBQOSA-N 0 3 357.458 1.223 20 10 FDCDHN CCn1nccc1N1CCC[C@@H](NCc2cc(OC)c(OC)cc2O)C1=O ZINC000276733678 779230673 /nfs/dbraw/zinc/23/06/73/779230673.db2.gz HMXGAMNZDVJNEF-CQSZACIVSA-N 0 3 374.441 1.911 20 10 FDCDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891927968 780227224 /nfs/dbraw/zinc/22/72/24/780227224.db2.gz ZXQZNOMRESIGKS-UHFFFAOYSA-N 0 3 365.474 1.395 20 10 FDCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377877595 792973799 /nfs/dbraw/zinc/97/37/99/792973799.db2.gz BZLXOGUIDXIVIE-CVEARBPZSA-N 0 3 359.470 1.933 20 10 FDCDHN CCn1nncc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895938866 823793699 /nfs/dbraw/zinc/79/36/99/823793699.db2.gz GBXVVHXFRLRZRI-QGZVFWFLSA-N 0 3 359.478 1.466 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccc[nH]c2=O)N(C)C)cc1 ZINC000896040617 823970705 /nfs/dbraw/zinc/97/07/05/823970705.db2.gz ZWDVLTTVTOYQSE-KRWDZBQOSA-N 0 3 357.458 1.955 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC2CC(CC(N)=O)C2)N(C)C)cc1 ZINC000896607264 824716001 /nfs/dbraw/zinc/71/60/01/824716001.db2.gz CYAGFJSZGHOGBQ-PGEKIEPBSA-N 0 3 361.490 1.309 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)c1[O-] ZINC000896726468 824838544 /nfs/dbraw/zinc/83/85/44/824838544.db2.gz MRTHGSKAJFUZNB-UHFFFAOYSA-N 0 3 365.293 1.881 20 10 FDCDHN CN(C)c1ccc([C@H](CNCc2cn(C[C@@H]3CCOC3)nn2)N(C)C)cc1 ZINC000898447194 844713918 /nfs/dbraw/zinc/71/39/18/844713918.db2.gz GSHRAFKWZQYZCM-JXFKEZNVSA-N 0 3 372.517 1.773 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@H](O)C23CCC3)N(C)C)cc1 ZINC000899097771 845761061 /nfs/dbraw/zinc/76/10/61/845761061.db2.gz GOXKXGDPAWKFQZ-BZSNNMDCSA-N 0 3 360.502 1.958 20 10 FDCDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NCCF ZINC000899103557 845776551 /nfs/dbraw/zinc/77/65/51/845776551.db2.gz MUUBHCDOKQSYAA-CZUORRHYSA-N 0 3 367.469 1.129 20 10 FDCDHN COC(=O)[C@H]1[C@@H]2CN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)C[C@@H]21 ZINC000899103898 845777583 /nfs/dbraw/zinc/77/75/83/845777583.db2.gz OXFUSELTFAYGEY-XWTMOSNGSA-N 0 3 374.485 1.416 20 10 FDCDHN C[C@H](O)[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899099244 845793921 /nfs/dbraw/zinc/79/39/21/845793921.db2.gz XMKIKPVCJODTJQ-JCGIZDLHSA-N 0 3 364.490 1.147 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]2(O)CCSC2)N(C)C)cc1 ZINC000899100813 845797689 /nfs/dbraw/zinc/79/76/89/845797689.db2.gz DZOQFAKGCAYESX-AEFFLSMTSA-N 0 3 366.531 1.523 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)N(C)C)cc1 ZINC000899100640 845797701 /nfs/dbraw/zinc/79/77/01/845797701.db2.gz BBLQGSSZMFMELR-FGTMMUONSA-N 0 3 362.474 1.165 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=S)NC[C@@H]2CCCO2)N(C)C)cc1 ZINC000899724097 846625511 /nfs/dbraw/zinc/62/55/11/846625511.db2.gz JYMFCTVZNCVROQ-DLBZAZTESA-N 0 3 350.532 1.998 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000154086461 881809121 /nfs/dbraw/zinc/80/91/21/881809121.db2.gz DGEGKPJUKQIWDK-UHFFFAOYSA-N 0 3 353.426 1.491 20 10 FDCDHN Cn1ncc2c1CCC[C@H]2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978053 873997536 /nfs/dbraw/zinc/99/75/36/873997536.db2.gz CBBVBDGSPQLJEL-GOSISDBHSA-N 0 3 374.510 1.822 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)nn1 ZINC000762457383 875946979 /nfs/dbraw/zinc/94/69/79/875946979.db2.gz BTGSXVMIEIFIEY-MLGOLLRUSA-N 0 3 374.397 1.033 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)nn1 ZINC000762457383 875946981 /nfs/dbraw/zinc/94/69/81/875946981.db2.gz BTGSXVMIEIFIEY-MLGOLLRUSA-N 0 3 374.397 1.033 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)nn1 ZINC000762457383 875946989 /nfs/dbraw/zinc/94/69/89/875946989.db2.gz BTGSXVMIEIFIEY-MLGOLLRUSA-N 0 3 374.397 1.033 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000922993322 887668003 /nfs/dbraw/zinc/66/80/03/887668003.db2.gz KAFGXSAYYDOCFA-NSHDSACASA-N 0 3 367.247 1.939 20 10 FDCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCCO3)CN1CCN1CCOCC1 ZINC000921759088 897723768 /nfs/dbraw/zinc/72/37/68/897723768.db2.gz PYMWIBYSAMQQIG-GOSISDBHSA-N 0 3 359.470 1.034 20 10 FDCDHN COc1ccc(N2CCC(NC(=O)[C@H]3CN4CCN3CCC4)CC2)cc1 ZINC000764095306 903509704 /nfs/dbraw/zinc/50/97/04/903509704.db2.gz VCBCYFFZTKGNMM-LJQANCHMSA-N 0 3 358.486 1.170 20 10 FDCDHN C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000730842349 917356631 /nfs/dbraw/zinc/35/66/31/917356631.db2.gz XCJKGAOWOHVPAU-STQMWFEESA-N 0 3 369.487 1.756 20 10 FDCDHN COC(=O)CN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000732202587 919243075 /nfs/dbraw/zinc/24/30/75/919243075.db2.gz YAJCITSDGLZOHM-INIZCTEOSA-N 0 3 364.442 1.395 20 10 FDCDHN COC(=O)CN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000732202587 919243082 /nfs/dbraw/zinc/24/30/82/919243082.db2.gz YAJCITSDGLZOHM-INIZCTEOSA-N 0 3 364.442 1.395 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000734269749 923136497 /nfs/dbraw/zinc/13/64/97/923136497.db2.gz NIEWRROKENHKJL-OAHLLOKOSA-N 0 3 362.449 1.698 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)c3[nH]nc4c3CCC4)CC2)cc1 ZINC000742919090 926214877 /nfs/dbraw/zinc/21/48/77/926214877.db2.gz CNMHIRDHJKWJIV-UHFFFAOYSA-N 0 3 369.469 1.459 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000807101046 940249691 /nfs/dbraw/zinc/24/96/91/940249691.db2.gz SKOHHJOSMXCFOR-OAHLLOKOSA-N 0 3 358.486 1.444 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000807101144 940250645 /nfs/dbraw/zinc/25/06/45/940250645.db2.gz QMSBEDAMZWOGAF-NVXWUHKLSA-N 0 3 374.529 1.914 20 10 FDCDHN COc1cccc(O)c1CN[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000808433156 940550645 /nfs/dbraw/zinc/55/06/45/940550645.db2.gz CTKAAXZWWPBBFC-AWEZNQCLSA-N 0 3 362.451 1.954 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]CCN2CCCOCC2)c1[O-] ZINC000809751072 940895339 /nfs/dbraw/zinc/89/53/39/940895339.db2.gz OPPZJICSUYCKGB-UHFFFAOYSA-N 0 3 359.264 1.975 20 10 FDCDHN CN1CCN(c2ccc(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000775649665 970906197 /nfs/dbraw/zinc/90/61/97/970906197.db2.gz MRLORPIVLJTFPB-IBGZPJMESA-N 0 3 363.527 1.590 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C[C@@H](CO)C3)CC2)cc1 ZINC000817277415 942677596 /nfs/dbraw/zinc/67/75/96/942677596.db2.gz HWNCGAJEJHKSRV-IAGOWNOFSA-N 0 3 361.486 1.294 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000817860952 943050462 /nfs/dbraw/zinc/05/04/62/943050462.db2.gz ZKXJTRHIMQNGKS-KRWDZBQOSA-N 0 3 374.529 1.662 20 10 FDCDHN CCN1CCN(C[C@H](C)CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819164414 943456516 /nfs/dbraw/zinc/45/65/16/943456516.db2.gz IYGGGFCVPHUJOO-INIZCTEOSA-N 0 3 374.485 1.430 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ccc(F)cn3)CC2)cc1 ZINC000819168611 943458557 /nfs/dbraw/zinc/45/85/57/943458557.db2.gz RYJNFDCSYNHFBW-LJQANCHMSA-N 0 3 374.460 1.502 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cccc(F)n3)CC2)cc1 ZINC000819182511 943465931 /nfs/dbraw/zinc/46/59/31/943465931.db2.gz FNUVCTKBIBYKGW-SFHVURJKSA-N 0 3 374.460 1.502 20 10 FDCDHN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000821436306 944503685 /nfs/dbraw/zinc/50/36/85/944503685.db2.gz MBMQJMDNOSBRRI-WMLDXEAASA-N 0 3 372.473 1.947 20 10 FDCDHN CCCCNC(=O)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258037 967016274 /nfs/dbraw/zinc/01/62/74/967016274.db2.gz PFXPRHKQRHVXJJ-OAHLLOKOSA-N 0 3 362.474 1.800 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)[C@](C)(CO)C3)CC2)cc1 ZINC000852701575 967545060 /nfs/dbraw/zinc/54/50/60/967545060.db2.gz RYKRQQRQPCUFPN-JXFKEZNVSA-N 0 3 361.486 1.294 20 10 FDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775373033 967742511 /nfs/dbraw/zinc/74/25/11/967742511.db2.gz LHUXLQLYLMOOBR-RKDXNWHRSA-N 0 3 363.336 1.828 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000775376339 967766557 /nfs/dbraw/zinc/76/65/57/967766557.db2.gz UDVUGJXRTARKBB-KGLIPLIRSA-N 0 3 363.458 1.569 20 10 FDCDHN C[C@@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000775834832 972959324 /nfs/dbraw/zinc/95/93/24/972959324.db2.gz QUWMNPUJQYBODX-OAHLLOKOSA-N 0 3 358.486 1.484 20 10 FDCDHN O=C1CNC(=O)N1Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000865773294 974480877 /nfs/dbraw/zinc/48/08/77/974480877.db2.gz NAMQAKCJHGUPHR-UHFFFAOYSA-N 0 3 351.406 1.963 20 10 FDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c1[O-] ZINC000866554817 975783882 /nfs/dbraw/zinc/78/38/82/975783882.db2.gz USQJPSCTVXGYER-PXAZEXFGSA-N 0 3 354.834 1.632 20 10 FDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2)CC1 ZINC000847860519 976100066 /nfs/dbraw/zinc/10/00/66/976100066.db2.gz TZHAMLZTAHOXHS-MRXNPFEDSA-N 0 3 358.486 1.313 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000848554926 976900770 /nfs/dbraw/zinc/90/07/70/976900770.db2.gz GPWCLAPNSPRGSN-GZMMTYOYSA-N 0 3 371.231 1.961 20 10 FDCDHN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1O ZINC000868308836 977486520 /nfs/dbraw/zinc/48/65/20/977486520.db2.gz BHSSVGXXEOOZCO-GFCCVEGCSA-N 0 3 355.394 1.690 20 10 FDCDHN COc1ccc(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)c(O)c1 ZINC000849584076 977787588 /nfs/dbraw/zinc/78/75/88/977787588.db2.gz CFZGBYUZJCTISB-IRXDYDNUSA-N 0 3 358.442 1.486 20 10 FDCDHN NC(=O)[C@](O)(C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000851840934 979095226 /nfs/dbraw/zinc/09/52/26/979095226.db2.gz MFNADPRYRSTOJQ-NQIIRXRSSA-N 0 3 370.449 1.746 20 10 FDCDHN NC(=O)[C@](O)(C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000851840934 979095232 /nfs/dbraw/zinc/09/52/32/979095232.db2.gz MFNADPRYRSTOJQ-NQIIRXRSSA-N 0 3 370.449 1.746 20 10 FDCDHN COCCN(C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852063850 979318372 /nfs/dbraw/zinc/31/83/72/979318372.db2.gz SKMGWUXLHNZJRK-HNNXBMFYSA-N 0 3 350.463 1.151 20 10 FDCDHN C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000883370561 982098636 /nfs/dbraw/zinc/09/86/36/982098636.db2.gz NUXAGTKFDWHWJL-WBVHZDCISA-N 0 3 351.466 1.979 20 10 FDCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(O)(COCCO)CC3)c2c1 ZINC000884477715 983181107 /nfs/dbraw/zinc/18/11/07/983181107.db2.gz GBGNXHRBOZAJIP-UHFFFAOYSA-N 0 3 361.438 1.890 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000861718843 983869794 /nfs/dbraw/zinc/86/97/94/983869794.db2.gz QYPNECKGAQMNAT-GOSISDBHSA-N 0 3 357.454 1.488 20 10 FDCDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000862551318 984410406 /nfs/dbraw/zinc/41/04/06/984410406.db2.gz MJQJUIGJBXCEHX-KRWDZBQOSA-N 0 3 367.515 1.284 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H]([C@@H]4CCCO4)C3)CC2)cc1 ZINC000886835690 986629473 /nfs/dbraw/zinc/62/94/73/986629473.db2.gz PIBOGYIQFPALAE-PXNSSMCTSA-N 0 3 373.497 1.845 20 10 FDCDHN O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000872255340 987547430 /nfs/dbraw/zinc/54/74/30/987547430.db2.gz CDEZAZNEBCPSHY-IUPBHXKESA-N 0 3 355.797 1.552 20 10 FDCDHN CCS(=O)(=O)CCCNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873132501 988595197 /nfs/dbraw/zinc/59/51/97/988595197.db2.gz WCOOHODPZJHBQS-UHFFFAOYSA-N 0 3 351.472 1.854 20 10 FDCDHN CCCOc1ccc(CN2CCO[C@H](CN3CCN(C)CC3)C2)c(O)c1 ZINC000369444988 989051553 /nfs/dbraw/zinc/05/15/53/989051553.db2.gz VIULMGFLPMPPPG-LJQANCHMSA-N 0 3 363.502 1.629 20 10 FDCDHN Cc1nccc(CN2CCC[C@H](NCc3cc4c(cc3O)OCO4)C2=O)n1 ZINC000363969174 989467892 /nfs/dbraw/zinc/46/78/92/989467892.db2.gz SKUKEJSCXZAEKQ-HNNXBMFYSA-N 0 3 370.409 1.500 20 10 FDCDHN O=C(CC[NH2+][C@H]1CCc2cccc([O-])c21)N1CCN(c2ncccn2)CC1 ZINC000297598152 989574532 /nfs/dbraw/zinc/57/45/32/989574532.db2.gz HWBGQPIHLXTOSS-INIZCTEOSA-N 0 3 367.453 1.498 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000875284688 991259988 /nfs/dbraw/zinc/25/99/88/991259988.db2.gz MZDRBOACSDTYEO-OAHLLOKOSA-N 0 3 360.502 1.873 20 10 FDCDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000373596527 992311452 /nfs/dbraw/zinc/31/14/52/992311452.db2.gz NRXNTSUYDVYHMG-KRWDZBQOSA-N 0 3 373.545 1.752 20 10 FDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000796481232 1015853128 /nfs/dbraw/zinc/85/31/28/1015853128.db2.gz CSDJKPQQQJJRED-XJKSGUPXSA-N 0 3 356.488 1.989 20 10 FDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000796481226 1015853215 /nfs/dbraw/zinc/85/32/15/1015853215.db2.gz CSDJKPQQQJJRED-BBRMVZONSA-N 0 3 356.488 1.989 20 10 FDCDHN CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879647795 995134549 /nfs/dbraw/zinc/13/45/49/995134549.db2.gz LPDIZAGDYDUXHZ-RDBSUJKOSA-N 0 3 354.472 1.467 20 10 FDCDHN C[C@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccccc1[O-] ZINC000879653289 995137400 /nfs/dbraw/zinc/13/74/00/995137400.db2.gz MQXFJSBUOMNBEX-HNNXBMFYSA-N 0 3 355.438 1.947 20 10 FDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCN1C1CCOCC1 ZINC000925447743 995605457 /nfs/dbraw/zinc/60/54/57/995605457.db2.gz URVGBAJCUTZNQY-INIZCTEOSA-N 0 3 359.426 1.410 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1[C@H](O)CC)cc2=O ZINC000265072118 997689115 /nfs/dbraw/zinc/68/91/15/997689115.db2.gz WPVGELOCJSFOSZ-HUUCEWRRSA-N 0 3 362.430 1.737 20 10 FDCDHN Cc1nnc([C@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)[nH]1 ZINC000889662762 998512641 /nfs/dbraw/zinc/51/26/41/998512641.db2.gz JASZWVKITLRLMM-ZDUSSCGKSA-N 0 3 357.462 1.425 20 10 FDCDHN CC[C@@H]1CN(C)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889663658 998513897 /nfs/dbraw/zinc/51/38/97/998513897.db2.gz TWBTVUZNVWDXOQ-GOSISDBHSA-N 0 3 359.518 1.674 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000266734756 999222653 /nfs/dbraw/zinc/22/26/53/999222653.db2.gz LKQMMHUJTYRNOE-IBGZPJMESA-N 0 3 356.470 1.679 20 10 FDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000284097341 999776569 /nfs/dbraw/zinc/77/65/69/999776569.db2.gz SHYAXJDJMJMCPU-KRWDZBQOSA-N 0 3 370.497 1.670 20 10 FDCDHN C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928704891 1001631801 /nfs/dbraw/zinc/63/18/01/1001631801.db2.gz AMTHAAXKEXDPIW-CQSZACIVSA-N 0 3 369.437 1.993 20 10 FDCDHN COC(=O)C(C)(C)N1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000779190377 1002531330 /nfs/dbraw/zinc/53/13/30/1002531330.db2.gz HLJJDZHXVMHRQF-UHFFFAOYSA-N 0 3 374.529 1.508 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000559305840 544636926 /nfs/dbraw/zinc/63/69/26/544636926.db2.gz MCTOVURQULQVNG-CVEARBPZSA-N 0 3 368.481 1.798 20 10 FDCDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[N@@H+]1C ZINC000271395186 674339839 /nfs/dbraw/zinc/33/98/39/674339839.db2.gz MQASZMLBQNUNON-WCQYABFASA-N 0 3 355.460 1.318 20 10 FDCDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[N@H+]1C ZINC000271395186 674339841 /nfs/dbraw/zinc/33/98/41/674339841.db2.gz MQASZMLBQNUNON-WCQYABFASA-N 0 3 355.460 1.318 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CCCOC)CCOC)cc2=O ZINC000054365984 523627673 /nfs/dbraw/zinc/62/76/73/523627673.db2.gz QJEPZRAHYHXPSA-UHFFFAOYSA-N 0 3 366.418 1.097 20 10 FDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000156536254 524096517 /nfs/dbraw/zinc/09/65/17/524096517.db2.gz MXTJNTKDHVFVQK-GDBMZVCRSA-N 0 3 356.488 1.921 20 10 FDCDHN CCN1CCN(CCC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000122389217 524523156 /nfs/dbraw/zinc/52/31/56/524523156.db2.gz OEHNIXUFPLLQHM-UHFFFAOYSA-N 0 3 360.502 1.167 20 10 FDCDHN CCn1ccnc(NCCCN2CCN(c3ccc(OC)cc3)CC2)c1=O ZINC000090999227 524618142 /nfs/dbraw/zinc/61/81/42/524618142.db2.gz FTVWXQRFQSDHAK-UHFFFAOYSA-N 0 3 371.485 1.896 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCc1ccccn1)cc2=O ZINC000124429696 524984567 /nfs/dbraw/zinc/98/45/67/524984567.db2.gz AIJDXXSWAQJSRK-UHFFFAOYSA-N 0 3 355.398 1.681 20 10 FDCDHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000105160688 525470450 /nfs/dbraw/zinc/47/04/50/525470450.db2.gz VYJIFSAEPCHZSI-INIZCTEOSA-N 0 3 364.465 1.898 20 10 FDCDHN CN1CCC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000120262228 526011992 /nfs/dbraw/zinc/01/19/92/526011992.db2.gz DTYKXNBYKVOBRE-UHFFFAOYSA-N 0 3 350.438 1.556 20 10 FDCDHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000183049287 535911071 /nfs/dbraw/zinc/91/10/71/535911071.db2.gz AYJSBUPEYIKXSN-UHFFFAOYSA-N 0 3 371.529 1.842 20 10 FDCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000268145305 537011683 /nfs/dbraw/zinc/01/16/83/537011683.db2.gz SKLKYTZUTRMMPT-KXBFYZLASA-N 0 3 358.486 1.805 20 10 FDCDHN CC[C@H](C)N(C)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000285834643 537326011 /nfs/dbraw/zinc/32/60/11/537326011.db2.gz CRFBVSVIXDQXHZ-INIZCTEOSA-N 0 3 358.486 1.526 20 10 FDCDHN C[C@H]1CCCN(CCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000284225203 537402778 /nfs/dbraw/zinc/40/27/78/537402778.db2.gz JZAQCQKYDFAALI-INIZCTEOSA-N 0 3 360.502 1.559 20 10 FDCDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000275566623 537557046 /nfs/dbraw/zinc/55/70/46/537557046.db2.gz DYFPNILWQOPSLS-UHFFFAOYSA-N 0 3 371.437 1.499 20 10 FDCDHN C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000293860768 537610558 /nfs/dbraw/zinc/61/05/58/537610558.db2.gz DSYLKEUEYLFMKG-QGZVFWFLSA-N 0 3 367.471 1.322 20 10 FDCDHN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000293860768 537610562 /nfs/dbraw/zinc/61/05/62/537610562.db2.gz DSYLKEUEYLFMKG-QGZVFWFLSA-N 0 3 367.471 1.322 20 10 FDCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000285513246 537723972 /nfs/dbraw/zinc/72/39/72/537723972.db2.gz NQJGHMYVTHCXJH-DZGCQCFKSA-N 0 3 356.488 1.989 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737271857 599102590 /nfs/dbraw/zinc/10/25/90/599102590.db2.gz XMIFTFJDAQOBFW-ZDUSSCGKSA-N 0 3 367.461 1.269 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737271857 599102592 /nfs/dbraw/zinc/10/25/92/599102592.db2.gz XMIFTFJDAQOBFW-ZDUSSCGKSA-N 0 3 367.461 1.269 20 10 FDCDHN CN1CCN(CCCCNC(=O)NCCCSc2nccs2)CC1 ZINC000153751447 671908127 /nfs/dbraw/zinc/90/81/27/671908127.db2.gz XHAWGZLLPPSMEK-UHFFFAOYSA-N 0 3 371.576 1.952 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000192167921 672351229 /nfs/dbraw/zinc/35/12/29/672351229.db2.gz DUPMJFCTLHIKLC-QGZVFWFLSA-N 0 3 370.515 1.881 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1[O-] ZINC000289575596 676154888 /nfs/dbraw/zinc/15/48/88/676154888.db2.gz JSYNVKUBKVLNBV-UHFFFAOYSA-N 0 3 353.806 1.665 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366484685 677445281 /nfs/dbraw/zinc/44/52/81/677445281.db2.gz ULIAOOQGWXDQGW-NWDGAFQWSA-N 0 3 353.216 1.558 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366484685 677445283 /nfs/dbraw/zinc/44/52/83/677445283.db2.gz ULIAOOQGWXDQGW-NWDGAFQWSA-N 0 3 353.216 1.558 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000373944420 678069113 /nfs/dbraw/zinc/06/91/13/678069113.db2.gz BOWHQIDESQTZEF-AAEUAGOBSA-N 0 3 353.444 1.120 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000373944420 678069117 /nfs/dbraw/zinc/06/91/17/678069117.db2.gz BOWHQIDESQTZEF-AAEUAGOBSA-N 0 3 353.444 1.120 20 10 FDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891087393 773161897 /nfs/dbraw/zinc/16/18/97/773161897.db2.gz PUZGJCGZTQQNPB-UHFFFAOYSA-N 0 3 361.490 1.091 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCn3cncc3C2)N(C)C)cc1 ZINC000891247506 774094224 /nfs/dbraw/zinc/09/42/24/774094224.db2.gz HVTVKGFRTGPPNT-QFBILLFUSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2nc(C3CC3)nn2C)N(C)C)cc1 ZINC000891248279 774102301 /nfs/dbraw/zinc/10/23/01/774102301.db2.gz XKBCEONANUDPJM-QGZVFWFLSA-N 0 3 370.501 1.720 20 10 FDCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)N1CCN(C)CC1 ZINC000891254270 774150498 /nfs/dbraw/zinc/15/04/98/774150498.db2.gz XZVWZHIWDJXBSV-LPHOPBHVSA-N 0 3 361.534 1.107 20 10 FDCDHN COc1cc(C)cc(CNCCS(=O)(=O)N2CCSCC2)c1O ZINC000894234236 811656245 /nfs/dbraw/zinc/65/62/45/811656245.db2.gz URXSHMJMWWIMTM-UHFFFAOYSA-N 0 3 360.501 1.177 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCn3ccnc32)N(C)C)cc1 ZINC000895076834 819981314 /nfs/dbraw/zinc/98/13/14/819981314.db2.gz DRJCYRZVQFYJSE-IRXDYDNUSA-N 0 3 356.474 1.996 20 10 FDCDHN Oc1cc(O)c(CCNc2cncc(OCCN3CCCC3)n2)cc1O ZINC001168006652 820382450 /nfs/dbraw/zinc/38/24/50/820382450.db2.gz RPBJILUGEICCAE-UHFFFAOYSA-N 0 3 360.414 1.723 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCC3(CC2)C[C@H](O)CNC3=O)cc1F ZINC000897047484 826817435 /nfs/dbraw/zinc/81/74/35/826817435.db2.gz WWTYPTIFNIHVTG-ZDUSSCGKSA-N 0 3 353.413 1.494 20 10 FDCDHN COc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1OC ZINC000897222156 827186469 /nfs/dbraw/zinc/18/64/69/827186469.db2.gz SRIVQQRNLFWADR-OLZOCXBDSA-N 0 3 351.403 1.647 20 10 FDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1CS(N)(=O)=O ZINC000897609817 839973270 /nfs/dbraw/zinc/97/32/70/839973270.db2.gz MZWVTDJKGBLIOO-HIFRSBDPSA-N 0 3 371.478 1.019 20 10 FDCDHN O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)C2)nc[n-]1 ZINC000898155187 840834083 /nfs/dbraw/zinc/83/40/83/840834083.db2.gz MOIDMIKXESWNHI-HNNXBMFYSA-N 0 3 373.432 1.526 20 10 FDCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1[O-] ZINC000927025852 843328293 /nfs/dbraw/zinc/32/82/93/843328293.db2.gz OWJHKEVZNRYNFT-GXSJLCMTSA-N 0 3 366.277 1.519 20 10 FDCDHN CC(C)NC(=O)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098003 845760208 /nfs/dbraw/zinc/76/02/08/845760208.db2.gz KDUUGZRWLGMBKD-WMLDXEAASA-N 0 3 363.506 1.568 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C(N)=O)CC2)N(C)C)cc1 ZINC000899101738 845773643 /nfs/dbraw/zinc/77/36/43/845773643.db2.gz LNENPLQLONTHES-QGZVFWFLSA-N 0 3 361.490 1.262 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@]3(CNC(=O)C3)C2)N(C)C)cc1 ZINC000899104182 845777480 /nfs/dbraw/zinc/77/74/80/845777480.db2.gz QMCOQLKUAJTUMR-FXAWDEMLSA-N 0 3 373.501 1.277 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@](O)(C(F)F)C2)N(C)C)cc1 ZINC000899099291 845793801 /nfs/dbraw/zinc/79/38/01/845793801.db2.gz YKXZILVEZMLUHK-YJBOKZPZSA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(=O)N(CC3CC3)C2)N(C)C)cc1 ZINC000899099182 845793891 /nfs/dbraw/zinc/79/38/91/845793891.db2.gz WNNUUGAGNHEETC-SFHVURJKSA-N 0 3 373.501 1.577 20 10 FDCDHN COC[C@@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100608 845797674 /nfs/dbraw/zinc/79/76/74/845797674.db2.gz AYTQPBMVDCFSLT-DLBZAZTESA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@H]2CCN(C)C2=O)N(C)C)cc1 ZINC000899101150 845798752 /nfs/dbraw/zinc/79/87/52/845798752.db2.gz FOGNUUAKZPPAAW-DLBZAZTESA-N 0 3 361.490 1.227 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC4(CCOC4)CC3)CC2)cc1 ZINC000761058243 863975734 /nfs/dbraw/zinc/97/57/34/863975734.db2.gz IXUYDKNKVAYDLS-UHFFFAOYSA-N 0 3 373.497 1.846 20 10 FDCDHN COc1ccc(N2CCCN(CC3CN(S(C)(=O)=O)C3)CC2)cc1 ZINC000929316423 879328730 /nfs/dbraw/zinc/32/87/30/879328730.db2.gz PVQLYOSZJYYUDN-UHFFFAOYSA-N 0 3 353.488 1.099 20 10 FDCDHN C[C@@H]1[C@@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1C ZINC000922824822 879383135 /nfs/dbraw/zinc/38/31/35/879383135.db2.gz VEGDXPWMXKXNFV-WBMJQRKESA-N 0 3 368.428 1.693 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000922993320 887668740 /nfs/dbraw/zinc/66/87/40/887668740.db2.gz KAFGXSAYYDOCFA-LLVKDONJSA-N 0 3 367.247 1.939 20 10 FDCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ncccn1 ZINC000112536853 903535654 /nfs/dbraw/zinc/53/56/54/903535654.db2.gz FYLDZHKGULYXAE-LSDHHAIUSA-N 0 3 355.442 1.991 20 10 FDCDHN COCCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000730817774 917349598 /nfs/dbraw/zinc/34/95/98/917349598.db2.gz VDUKNJKIAQKFSE-CYBMUJFWSA-N 0 3 359.264 1.974 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)C[C@H]1[C@H](C)O)cc2=O ZINC000785541038 931446101 /nfs/dbraw/zinc/44/61/01/931446101.db2.gz OMYXYXOJUIMHKS-HUBLWGQQSA-N 0 3 362.430 1.593 20 10 FDCDHN COc1ccc(N2CCCN(C(=O)C(=O)NCc3cn[nH]c3C)CC2)cc1 ZINC000788875423 932845851 /nfs/dbraw/zinc/84/58/51/932845851.db2.gz NVZQBMJSESVHBW-UHFFFAOYSA-N 0 3 371.441 1.082 20 10 FDCDHN CN(CCN1CCCC1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806282641 939880507 /nfs/dbraw/zinc/88/05/07/939880507.db2.gz OYLWPNLLHAVNJF-UHFFFAOYSA-N 0 3 356.517 1.296 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000807096678 940248276 /nfs/dbraw/zinc/24/82/76/940248276.db2.gz HSEVPJBJYWLCIX-IBGZPJMESA-N 0 3 372.513 1.764 20 10 FDCDHN CCN(CC)c1ccc(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000808424555 940544672 /nfs/dbraw/zinc/54/46/72/940544672.db2.gz LGXKPBAOJPPCEA-QGZVFWFLSA-N 0 3 368.547 1.893 20 10 FDCDHN COc1cccc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783569 940902140 /nfs/dbraw/zinc/90/21/40/940902140.db2.gz ABRIDIDEFTUEGL-ZDUSSCGKSA-N 0 3 354.472 1.695 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1[O-] ZINC000817418932 942771198 /nfs/dbraw/zinc/77/11/98/942771198.db2.gz LKQJPJWKLMYKNO-GFCCVEGCSA-N 0 3 352.236 1.944 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000817860953 943050260 /nfs/dbraw/zinc/05/02/60/943050260.db2.gz ZKXJTRHIMQNGKS-QGZVFWFLSA-N 0 3 374.529 1.662 20 10 FDCDHN C[C@H]([NH2+]CC(=O)N1CCNCC1)c1cc(Br)c(F)cc1[O-] ZINC000817946023 943090750 /nfs/dbraw/zinc/09/07/50/943090750.db2.gz QJLUNONITVWOIM-VIFPVBQESA-N 0 3 360.227 1.376 20 10 FDCDHN Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000818643498 943316620 /nfs/dbraw/zinc/31/66/20/943316620.db2.gz GDBPEXUVLINELP-QFBILLFUSA-N 0 3 364.449 1.940 20 10 FDCDHN COC[C@@H](C)OC[C@@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358689 943541287 /nfs/dbraw/zinc/54/12/87/943541287.db2.gz NZQBZFQSXAPJCH-HIFRSBDPSA-N 0 3 374.428 1.303 20 10 FDCDHN Cc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)c(C)n1-c1ccccn1 ZINC000820459847 944057641 /nfs/dbraw/zinc/05/76/41/944057641.db2.gz WTCOGFSCAYMSKP-UHFFFAOYSA-N 0 3 367.497 1.809 20 10 FDCDHN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000823548413 945843418 /nfs/dbraw/zinc/84/34/18/945843418.db2.gz NUAJZFCWRRYCKD-LJQANCHMSA-N 0 3 370.497 1.803 20 10 FDCDHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846962518 951734618 /nfs/dbraw/zinc/73/46/18/951734618.db2.gz UAZNLSMYEUQSOQ-DLBZAZTESA-N 0 3 365.449 1.028 20 10 FDCDHN CC(C)(C)OC(=O)N1C[C@@H](NC[C@@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001171680365 961242368 /nfs/dbraw/zinc/24/23/68/961242368.db2.gz VADGQYHVERRRFK-SMDDNHRTSA-N 0 3 352.387 1.257 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000774208593 961838939 /nfs/dbraw/zinc/83/89/39/961838939.db2.gz PRRWHKFQNKUQEQ-AEFFLSMTSA-N 0 3 358.486 1.372 20 10 FDCDHN CCOC(=O)CN(C)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775259441 967024523 /nfs/dbraw/zinc/02/45/23/967024523.db2.gz SXUDQENOLPZZOU-OAHLLOKOSA-N 0 3 363.458 1.195 20 10 FDCDHN C[C@H](NCC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775260927 967027844 /nfs/dbraw/zinc/02/78/44/967027844.db2.gz RKUHPRAIKOFHJO-OXJNMPFZSA-N 0 3 373.497 1.811 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C)[C@H]1CCO)cc2=O ZINC000852458656 967340466 /nfs/dbraw/zinc/34/04/66/967340466.db2.gz JOKDOVSNSOONOU-SWLSCSKDSA-N 0 3 362.430 1.595 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)[C@](C)(CO)C3)CC2)cc1 ZINC000852701581 967545230 /nfs/dbraw/zinc/54/52/30/967545230.db2.gz RYKRQQRQPCUFPN-UZLBHIALSA-N 0 3 361.486 1.294 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)c3ncoc3CN)CC2)cc1 ZINC000884232951 983007798 /nfs/dbraw/zinc/00/77/98/983007798.db2.gz DRQNJSAMCSSTRH-UHFFFAOYSA-N 0 3 373.457 1.084 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCNCCC23CCC3)cc1F ZINC000884519769 983216051 /nfs/dbraw/zinc/21/60/51/983216051.db2.gz CCLNMAKHJJXONU-UHFFFAOYSA-N 0 3 362.449 1.253 20 10 FDCDHN CN(C)C(=O)CN(CC[NH+](C)C)Cc1c([O-])cccc1Br ZINC000862414206 984381760 /nfs/dbraw/zinc/38/17/60/984381760.db2.gz PSPGJPUKFUGSAY-UHFFFAOYSA-N 0 3 358.280 1.607 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H]4CSC[C@@H]4C3)CC2)cc1 ZINC000886553976 986353998 /nfs/dbraw/zinc/35/39/98/986353998.db2.gz ZPCOCHOPYSIDTP-IYBDPMFKSA-N 0 3 361.511 1.639 20 10 FDCDHN C[C@@H]1C[C@@H]([NH2+]CCc2nnc3c(=O)n(C)ccn23)c2c1c(F)ccc2[O-] ZINC000886699048 986483506 /nfs/dbraw/zinc/48/35/06/986483506.db2.gz RWLCIJGYKHLPDV-ZYHUDNBSSA-N 0 3 357.389 1.653 20 10 FDCDHN CN1CCCc2cc(CNC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)ccc21 ZINC000369031789 989020948 /nfs/dbraw/zinc/02/09/48/989020948.db2.gz XIQIFLLVNHQDCO-MSOLQXFVSA-N 0 3 358.486 1.731 20 10 FDCDHN COc1cc(O)c(CN2CCC(N3CCN(C)CC3=O)CC2)cc1OC ZINC000365011285 989955396 /nfs/dbraw/zinc/95/53/96/989955396.db2.gz LEAAYQSXPZCZOO-UHFFFAOYSA-N 0 3 363.458 1.148 20 10 FDCDHN COC[C@]1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCCCN1 ZINC000876742142 992859593 /nfs/dbraw/zinc/85/95/93/992859593.db2.gz RFTZSBZDSZQFAX-JXFKEZNVSA-N 0 3 361.486 1.859 20 10 FDCDHN CC(C)N(CCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-])S(C)(=O)=O ZINC000879648578 995135400 /nfs/dbraw/zinc/13/54/00/995135400.db2.gz URQHNZXWBQMETE-CQSZACIVSA-N 0 3 371.503 1.219 20 10 FDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)N1C ZINC000889662427 998512808 /nfs/dbraw/zinc/51/28/08/998512808.db2.gz DBFAYEIIEBOJNE-CALCHBBNSA-N 0 3 359.518 1.672 20 10 FDCDHN CCN(CCO)CCNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000651754940 1016233185 /nfs/dbraw/zinc/23/31/85/1016233185.db2.gz UITLDGVIYVKINF-UHFFFAOYSA-N 0 3 373.497 1.959 20 10 FDCDHN Oc1cc2c(cc1CNCc1cnc(N3CCOCC3)c(F)c1)OCO2 ZINC000274092739 999735859 /nfs/dbraw/zinc/73/58/59/999735859.db2.gz QLYXPLGZOCHGSI-UHFFFAOYSA-N 0 3 361.373 1.781 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(=O)n(C)c2)N(C)C)cc1 ZINC000929903437 1002582529 /nfs/dbraw/zinc/58/25/29/1002582529.db2.gz NPPZMHBRTAUOPY-QGZVFWFLSA-N 0 3 357.458 1.876 20 10 FDCDHN COc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000930899612 1003644259 /nfs/dbraw/zinc/64/42/59/1003644259.db2.gz HRFGQVGAHDJXPS-HNNXBMFYSA-N 0 3 360.462 1.919 20 10 FDCDHN O=C(NCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000779997102 1012461534 /nfs/dbraw/zinc/46/15/34/1012461534.db2.gz XYXIACQMSKRVIG-UHFFFAOYSA-N 0 3 372.429 1.828 20 10 FDCDHN COc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000181015322 525789497 /nfs/dbraw/zinc/78/94/97/525789497.db2.gz KLZLSQWOQAREMN-UHFFFAOYSA-N 0 3 356.488 1.941 20 10 FDCDHN CC[C@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000181034004 525793411 /nfs/dbraw/zinc/79/34/11/525793411.db2.gz OGLUWFLDCBQYHV-QUCCMNQESA-N 0 3 374.529 1.726 20 10 FDCDHN CN1CCN([C@H]2CCCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000181132706 525810961 /nfs/dbraw/zinc/81/09/61/525810961.db2.gz WKHUDMHRUMPXRV-JKNJVXJCSA-N 0 3 359.470 1.740 20 10 FDCDHN CCN1CCC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000299086238 537432887 /nfs/dbraw/zinc/43/28/87/537432887.db2.gz YPFNOHPBZHCCJQ-UHFFFAOYSA-N 0 3 364.465 1.946 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000287858321 537446799 /nfs/dbraw/zinc/44/67/99/537446799.db2.gz RKEXWKRAKQRUNZ-UHFFFAOYSA-N 0 3 360.502 1.750 20 10 FDCDHN COc1cc(O)c(CNCc2cccc(N3CCOCC3)n2)cc1OC ZINC000274983083 537534928 /nfs/dbraw/zinc/53/49/28/537534928.db2.gz XTOMHPNPUSQRBG-UHFFFAOYSA-N 0 3 359.426 1.931 20 10 FDCDHN COc1cccc(CNCCS(=O)(=O)NCc2ccccc2)c1O ZINC000237201984 537617240 /nfs/dbraw/zinc/61/72/40/537617240.db2.gz ZZYMOBQTDZMQBD-UHFFFAOYSA-N 0 3 350.440 1.610 20 10 FDCDHN O=C([C@H]1CN2CCN1CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000371224698 537780942 /nfs/dbraw/zinc/78/09/42/537780942.db2.gz AWOSLAXVAAIOFM-ZWKOTPCHSA-N 0 3 359.470 1.290 20 10 FDCDHN COc1ccc(O)c([C@H](C)N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034569 537973845 /nfs/dbraw/zinc/97/38/45/537973845.db2.gz BQDDFBWOSXRUBW-DZGCQCFKSA-N 0 3 368.499 1.703 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@](CO)(C(C)C)C1)cc2=O ZINC000377656022 537993332 /nfs/dbraw/zinc/99/33/32/537993332.db2.gz VAGGUHAYFZSSLY-GOSISDBHSA-N 0 3 362.430 1.452 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000582981311 551288048 /nfs/dbraw/zinc/28/80/48/551288048.db2.gz DBZIBIFONHKMEG-CYBMUJFWSA-N 0 3 356.470 1.702 20 10 FDCDHN COc1ccc(O)c(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000074261638 671409585 /nfs/dbraw/zinc/40/95/85/671409585.db2.gz RIKJGLANAIYAAS-CQSZACIVSA-N 0 3 350.463 1.084 20 10 FDCDHN CCN(CC(=O)N1CCN(C)CC1)Cc1cc(Br)ccc1O ZINC000093177641 671520935 /nfs/dbraw/zinc/52/09/35/671520935.db2.gz JJDVPLJPKZDPAM-UHFFFAOYSA-N 0 3 370.291 1.751 20 10 FDCDHN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000288535868 676019250 /nfs/dbraw/zinc/01/92/50/676019250.db2.gz UUIWEOSMNSGUCO-TZMCWYRMSA-N 0 3 367.471 1.463 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)cc1F ZINC000282431988 675628812 /nfs/dbraw/zinc/62/88/12/675628812.db2.gz FQTFSZLEQYISBG-QGZVFWFLSA-N 0 3 351.422 1.237 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(OC)c(OC)cc1O ZINC000364287086 677005106 /nfs/dbraw/zinc/00/51/06/677005106.db2.gz FAEYIBHJFSZUEN-KBPBESRZSA-N 0 3 353.415 1.952 20 10 FDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200801 677551907 /nfs/dbraw/zinc/55/19/07/677551907.db2.gz CZKTUUPLVBXGJV-DOTOQJQBSA-N 0 3 368.499 1.970 20 10 FDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200801 677551908 /nfs/dbraw/zinc/55/19/08/677551908.db2.gz CZKTUUPLVBXGJV-DOTOQJQBSA-N 0 3 368.499 1.970 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000374890593 678093171 /nfs/dbraw/zinc/09/31/71/678093171.db2.gz GHFYZHWIRTVDER-OAHLLOKOSA-N 0 3 367.471 1.368 20 10 FDCDHN CN1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000891087784 773173369 /nfs/dbraw/zinc/17/33/69/773173369.db2.gz YCDOTRRGVSLGRI-UHFFFAOYSA-N 0 3 373.501 1.235 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](c2cncn2C)N(C)C)N(C)C)cc1 ZINC000891246728 774086299 /nfs/dbraw/zinc/08/62/99/774086299.db2.gz CKSWTXGHLVWDFE-HKUYNNGSSA-N 0 3 372.517 1.508 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)N(C)C)cc1 ZINC000891247084 774091355 /nfs/dbraw/zinc/09/13/55/774091355.db2.gz HEMUERWSRYLXFA-VQIMIIECSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3nccn3C2)N(C)C)cc1 ZINC000891248381 774097453 /nfs/dbraw/zinc/09/74/53/774097453.db2.gz LZFWEYXGABUIQE-WMZOPIPTSA-N 0 3 355.486 1.931 20 10 FDCDHN CO[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000891250305 774123278 /nfs/dbraw/zinc/12/32/78/774123278.db2.gz WKLOQHLXZZUJMZ-QZTJIDSGSA-N 0 3 359.474 1.593 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(C(=O)NC3CC3)CC2)N(C)C)cc1 ZINC000891251197 774128896 /nfs/dbraw/zinc/12/88/96/774128896.db2.gz AUCNVXZRYCEBEK-KRWDZBQOSA-N 0 3 358.486 1.530 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)N(C)C)cc1 ZINC000891254280 774150620 /nfs/dbraw/zinc/15/06/20/774150620.db2.gz YDCVCEWZGRTVMY-INIZCTEOSA-N 0 3 368.441 1.534 20 10 FDCDHN COc1ncc(/C=C/C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cn1 ZINC000364336347 795748825 /nfs/dbraw/zinc/74/88/25/795748825.db2.gz KQHWRMOYEKIJFZ-XVJNWHFHSA-N 0 3 354.410 1.854 20 10 FDCDHN COC(=O)[C@H]1[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1(F)F ZINC000894193351 810866064 /nfs/dbraw/zinc/86/60/64/810866064.db2.gz PMVLSUJWEHJHON-SWLSCSKDSA-N 0 3 358.360 1.806 20 10 FDCDHN COC(=O)[C@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895372575 822553995 /nfs/dbraw/zinc/55/39/95/822553995.db2.gz DNKNZGSDHWFNLH-HLLBOEOZSA-N 0 3 362.474 1.606 20 10 FDCDHN O=C1NC[C@@H](O)CC12CCN(Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000897045171 826812611 /nfs/dbraw/zinc/81/26/11/826812611.db2.gz GRAUBQRAKORYME-IBGZPJMESA-N 0 3 373.497 1.111 20 10 FDCDHN CCN(CCC(=O)NC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095414 845756446 /nfs/dbraw/zinc/75/64/46/845756446.db2.gz JSNPSDVALGHZSH-QGZVFWFLSA-N 0 3 363.506 1.523 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)c2cnn(C)c2)N(C)C)cc1 ZINC000899101985 845774547 /nfs/dbraw/zinc/77/45/47/845774547.db2.gz JOMWFRBOIVGYCX-QZTJIDSGSA-N 0 3 374.489 1.122 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cncnc2N)N(C)C)cc1 ZINC000899104715 845778251 /nfs/dbraw/zinc/77/82/51/845778251.db2.gz SKRNZDPUVJGBIC-MRXNPFEDSA-N 0 3 357.462 1.227 20 10 FDCDHN C[C@@H]1C(=O)N(C)CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105684 845780393 /nfs/dbraw/zinc/78/03/93/845780393.db2.gz YPHOSYAEYNYZLO-RHSMWYFYSA-N 0 3 361.490 1.227 20 10 FDCDHN C[C@@H]1OCC[C@@]1(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105538 845780466 /nfs/dbraw/zinc/78/04/66/845780466.db2.gz XUEMYFXVRFLKQQ-POZUXBRTSA-N 0 3 364.490 1.194 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@@H]2COCCO2)N(C)C)cc1 ZINC000899099033 845792497 /nfs/dbraw/zinc/79/24/97/845792497.db2.gz UVROOOVYOJCMSX-MSOLQXFVSA-N 0 3 364.490 1.412 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cnccn2)N(C)C)cc1 ZINC000899100475 845797618 /nfs/dbraw/zinc/79/76/18/845797618.db2.gz AADRYVQVWSZZDJ-SFHVURJKSA-N 0 3 356.474 1.987 20 10 FDCDHN COC(=O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100783 845797855 /nfs/dbraw/zinc/79/78/55/845797855.db2.gz DDRDKAQJWAKWAT-DOTOQJQBSA-N 0 3 362.474 1.560 20 10 FDCDHN CN1CC[N@H+](C)CC(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000907759455 854604983 /nfs/dbraw/zinc/60/49/83/854604983.db2.gz YRCXJJHQILFWNC-UHFFFAOYSA-N 0 3 356.264 1.264 20 10 FDCDHN CN1CC[N@@H+](C)CC(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000907759455 854604991 /nfs/dbraw/zinc/60/49/91/854604991.db2.gz YRCXJJHQILFWNC-UHFFFAOYSA-N 0 3 356.264 1.264 20 10 FDCDHN Cc1nccc(N2CCN(Cc3ccc(N4CCN(C)CC4)cc3)CC2)n1 ZINC000761224935 864434671 /nfs/dbraw/zinc/43/46/71/864434671.db2.gz CSOSQTNVDHVCIA-UHFFFAOYSA-N 0 3 366.513 1.859 20 10 FDCDHN COCCN1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761257004 864647952 /nfs/dbraw/zinc/64/79/52/864647952.db2.gz OYBCSIOWVOPGEZ-AWEZNQCLSA-N 0 3 367.833 1.531 20 10 FDCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1C ZINC000914242471 871993583 /nfs/dbraw/zinc/99/35/83/871993583.db2.gz LAXICRNWWDIPBS-XJKSGUPXSA-N 0 3 350.438 1.554 20 10 FDCDHN CN1CC[C@](O)(CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000763022824 877585523 /nfs/dbraw/zinc/58/55/23/877585523.db2.gz YXRZKJRVZIIKMR-SFHVURJKSA-N 0 3 364.515 1.106 20 10 FDCDHN COCCN1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805136403 938677057 /nfs/dbraw/zinc/67/70/57/938677057.db2.gz FCBRCNZLJMOCKA-CYBMUJFWSA-N 0 3 372.263 1.675 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000807101743 940249961 /nfs/dbraw/zinc/24/99/61/940249961.db2.gz BCNWZMLDLLMOPJ-UHFFFAOYSA-N 0 3 360.502 1.620 20 10 FDCDHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000807670144 940439867 /nfs/dbraw/zinc/43/98/67/940439867.db2.gz BIILYJIXUCCLJR-MAUKXSAKSA-N 0 3 358.486 1.627 20 10 FDCDHN CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000812394008 941211059 /nfs/dbraw/zinc/21/10/59/941211059.db2.gz MTZAGDIQBGGPAM-LBPRGKRZSA-N 0 3 357.476 1.614 20 10 FDCDHN CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000812394008 941211061 /nfs/dbraw/zinc/21/10/61/941211061.db2.gz MTZAGDIQBGGPAM-LBPRGKRZSA-N 0 3 357.476 1.614 20 10 FDCDHN CN1CCN(c2ccc(CN3CC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000814176771 941568213 /nfs/dbraw/zinc/56/82/13/941568213.db2.gz UEKCURWCZFXPEA-KRWDZBQOSA-N 0 3 351.516 1.305 20 10 FDCDHN COc1cc([O-])c(CN2CCCC[C@](O)(C[NH3+])C2)c(Br)c1 ZINC001205726267 971234027 /nfs/dbraw/zinc/23/40/27/971234027.db2.gz SDPQRDOPWSMNFH-HNNXBMFYSA-N 0 3 359.264 1.839 20 10 FDCDHN COC1CCN(c2ccc(CN3CCN(CCN(C)C)C(=O)C3)cc2)CC1 ZINC000844381473 948041664 /nfs/dbraw/zinc/04/16/64/948041664.db2.gz MTYUESQONSLXRU-UHFFFAOYSA-N 0 3 374.529 1.508 20 10 FDCDHN O=C(CN1C(=O)CSC1=S)N1CCN(CC2CCCCC2)CC1 ZINC001144840827 951178941 /nfs/dbraw/zinc/17/89/41/951178941.db2.gz FPUHMYKXJOTNCF-UHFFFAOYSA-N 0 3 355.529 1.571 20 10 FDCDHN C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000773368241 961983291 /nfs/dbraw/zinc/98/32/91/961983291.db2.gz QAJJVDWEGGSJPY-DLBZAZTESA-N 0 3 361.534 1.996 20 10 FDCDHN C[C@H]([NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1[O-] ZINC001175426220 963199657 /nfs/dbraw/zinc/19/96/57/963199657.db2.gz HOWNEUQGQYVFJB-ZDUSSCGKSA-N 0 3 374.441 1.719 20 10 FDCDHN C[C@@H](NCC(=O)NCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000775254419 966991955 /nfs/dbraw/zinc/99/19/55/966991955.db2.gz ISOXPOFSOKHPTO-MRXNPFEDSA-N 0 3 354.454 1.885 20 10 FDCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000775258927 967016884 /nfs/dbraw/zinc/01/68/84/967016884.db2.gz CDBOCPQBJHGXRO-TXPKVOOTSA-N 0 3 361.486 1.858 20 10 FDCDHN CCS(=O)(=O)C[C@H](C)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000775381708 967848336 /nfs/dbraw/zinc/84/83/36/967848336.db2.gz MESMTTWAOBUORO-INIZCTEOSA-N 0 3 369.531 1.230 20 10 FDCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000776498604 978713188 /nfs/dbraw/zinc/71/31/88/978713188.db2.gz OXFURHJCPTZSGF-YOEHRIQHSA-N 0 3 355.456 1.617 20 10 FDCDHN N[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1F ZINC000851680337 978994959 /nfs/dbraw/zinc/99/49/59/978994959.db2.gz HZSKPGJCRPEIJP-IAGOWNOFSA-N 0 3 350.438 1.228 20 10 FDCDHN C[C@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883143229 981978078 /nfs/dbraw/zinc/97/80/78/981978078.db2.gz FCTCYVQBJDQNFJ-MRXNPFEDSA-N 0 3 356.474 1.523 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCNCCC12CCC2 ZINC000884638445 983304917 /nfs/dbraw/zinc/30/49/17/983304917.db2.gz YPQLYEMUUSDVHQ-UHFFFAOYSA-N 0 3 370.497 1.648 20 10 FDCDHN NC(=O)Cc1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000872660615 987923238 /nfs/dbraw/zinc/92/32/38/987923238.db2.gz SBPRMYBWGUYKLW-GOSISDBHSA-N 0 3 354.406 1.404 20 10 FDCDHN NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000872660615 987923242 /nfs/dbraw/zinc/92/32/42/987923242.db2.gz SBPRMYBWGUYKLW-GOSISDBHSA-N 0 3 354.406 1.404 20 10 FDCDHN NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000872660615 987923247 /nfs/dbraw/zinc/92/32/47/987923247.db2.gz SBPRMYBWGUYKLW-GOSISDBHSA-N 0 3 354.406 1.404 20 10 FDCDHN O=S1(=O)CCC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000873130977 988594351 /nfs/dbraw/zinc/59/43/51/988594351.db2.gz NEEPWXWHUUYMPD-CQSZACIVSA-N 0 3 374.453 1.858 20 10 FDCDHN CN(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC(C)(C)C ZINC000874111497 989758924 /nfs/dbraw/zinc/75/89/24/989758924.db2.gz OSCSREZBGQBTGA-KRWDZBQOSA-N 0 3 374.529 1.982 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365511889 990260185 /nfs/dbraw/zinc/26/01/85/990260185.db2.gz UYKXFDWBYDALBY-RTBURBONSA-N 0 3 356.470 1.725 20 10 FDCDHN COC[C@@]1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCCN1 ZINC000876713772 992818432 /nfs/dbraw/zinc/81/84/32/992818432.db2.gz OMZVCFXIUGZCQH-HXUWFJFHSA-N 0 3 361.486 1.640 20 10 FDCDHN CN(C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876729317 992842822 /nfs/dbraw/zinc/84/28/22/992842822.db2.gz JYIVZDAINUOCME-HNNXBMFYSA-N 0 3 374.407 1.047 20 10 FDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877606601 993375740 /nfs/dbraw/zinc/37/57/40/993375740.db2.gz GIOJNNDGPKXHRL-MRXNPFEDSA-N 0 3 360.502 1.200 20 10 FDCDHN CN1C(=O)[C@H]2CN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]2C1=O ZINC000877719708 993475220 /nfs/dbraw/zinc/47/52/20/993475220.db2.gz FIUGATMSNZOIKN-GASCZTMLSA-N 0 3 372.425 1.632 20 10 FDCDHN COC1CCN(c2ccc(CN3CCN(Cc4nnc[nH]4)CC3)cc2)CC1 ZINC000878810498 994252532 /nfs/dbraw/zinc/25/25/32/994252532.db2.gz GFPALMMQJCSPOH-UHFFFAOYSA-N 0 3 370.501 1.738 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN(C)Cc3c[nH]nc3C)CC2)cc1 ZINC000879188453 994611912 /nfs/dbraw/zinc/61/19/12/994611912.db2.gz MCACSLSOGHSYGW-IBGZPJMESA-N 0 3 373.501 1.342 20 10 FDCDHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000826531511 996883025 /nfs/dbraw/zinc/88/30/25/996883025.db2.gz MXFODLJVUOOQDC-LSDHHAIUSA-N 0 3 361.490 1.575 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1=CCN(C)CC1 ZINC000284044361 999775757 /nfs/dbraw/zinc/77/57/57/999775757.db2.gz LWJZWUBGQHIUET-MRXNPFEDSA-N 0 3 370.497 1.670 20 10 FDCDHN CC1CCN(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000284362371 999816181 /nfs/dbraw/zinc/81/61/81/999816181.db2.gz SWXSARIATIBYEC-UHFFFAOYSA-N 0 3 370.497 1.527 20 10 FDCDHN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000930919049 1003661329 /nfs/dbraw/zinc/66/13/29/1003661329.db2.gz RSYBVIQWWSSHEY-RVKKMQEKSA-N 0 3 360.502 1.685 20 10 FDCDHN COc1cncnc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931443626 1004167867 /nfs/dbraw/zinc/16/78/67/1004167867.db2.gz XRLIOAOSHFMFSL-OAHLLOKOSA-N 0 3 358.446 1.976 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)CCCF)N(C)C)cc1 ZINC000934319507 1005732275 /nfs/dbraw/zinc/73/22/75/1005732275.db2.gz FLLJEMPMECIGOQ-INIZCTEOSA-N 0 3 352.454 1.290 20 10 FDCDHN COc1cc(Br)cc(CN(C)CCNC(=O)N(C)C)c1O ZINC000779432184 1009214034 /nfs/dbraw/zinc/21/40/34/1009214034.db2.gz NDNDUDSDWGZDSY-UHFFFAOYSA-N 0 3 360.252 1.866 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)NCCN(C)C)cc2F)CC1 ZINC000133634501 526078852 /nfs/dbraw/zinc/07/88/52/526078852.db2.gz QKCHXSTWECBJLC-UHFFFAOYSA-N 0 3 351.470 1.328 20 10 FDCDHN CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](N(C)C)Cc3ccccc32)c1 ZINC000110311256 526233946 /nfs/dbraw/zinc/23/39/46/526233946.db2.gz CZXSKZOPJANBOR-GFOMBABLSA-N 0 3 364.449 1.974 20 10 FDCDHN COc1cc(O)c(CN(CCO)CCOCC(F)(F)F)cc1OC ZINC000271732901 674375804 /nfs/dbraw/zinc/37/58/04/674375804.db2.gz NRBPRSGDGMFCMO-UHFFFAOYSA-N 0 3 353.337 1.783 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)[C@@H](N)C(C)(C)C)CC2)cc1 ZINC000269315025 537019185 /nfs/dbraw/zinc/01/91/85/537019185.db2.gz YWNLDCQEAXLRRC-GOSISDBHSA-N 0 3 362.518 1.697 20 10 FDCDHN C[NH+]1CCC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000263719837 537077620 /nfs/dbraw/zinc/07/76/20/537077620.db2.gz JZLDGQMUPWTMGG-UHFFFAOYSA-N 0 3 355.460 1.225 20 10 FDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CCN3CCOCC3)C2=O)c([O-])c1 ZINC000363860017 537346505 /nfs/dbraw/zinc/34/65/05/537346505.db2.gz TXCJAHZLSIDESS-AEFFLSMTSA-N 0 3 361.486 1.674 20 10 FDCDHN CC(C)N1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000298885715 537356495 /nfs/dbraw/zinc/35/64/95/537356495.db2.gz ZNCPBQPHQAEWQO-UHFFFAOYSA-N 0 3 360.502 1.654 20 10 FDCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000360016592 537575766 /nfs/dbraw/zinc/57/57/66/537575766.db2.gz AWFNOEMWXPZFGC-IFXJQAMLSA-N 0 3 361.442 1.991 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COCC(F)(F)F ZINC000292629842 537750121 /nfs/dbraw/zinc/75/01/21/537750121.db2.gz NNGQFDYYVYYBMZ-MRXNPFEDSA-N 0 3 362.392 1.895 20 10 FDCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2nc[nH]n2)C1 ZINC000579670524 550897413 /nfs/dbraw/zinc/89/74/13/550897413.db2.gz SHGXRZQGSGGQBM-UHFFFAOYSA-N 0 3 366.469 1.885 20 10 FDCDHN COc1cccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000273552786 674547584 /nfs/dbraw/zinc/54/75/84/674547584.db2.gz ZCCJYHGPDXNVSE-UHFFFAOYSA-N 0 3 366.395 1.873 20 10 FDCDHN CCN1CCN(CCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278302407 675119291 /nfs/dbraw/zinc/11/92/91/675119291.db2.gz CYVBZFRJZGBSEH-UHFFFAOYSA-N 0 3 352.435 1.426 20 10 FDCDHN C[C@H](NCCNS(=O)(=O)Cc1ccon1)c1ccc(N(C)C)cc1 ZINC000162355604 672017735 /nfs/dbraw/zinc/01/77/35/672017735.db2.gz CJEIVEQOQVELFU-ZDUSSCGKSA-N 0 3 352.460 1.511 20 10 FDCDHN CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000266588644 673153682 /nfs/dbraw/zinc/15/36/82/673153682.db2.gz WXFKXKQHNDBSRW-AWEZNQCLSA-N 0 3 369.487 1.710 20 10 FDCDHN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000266588644 673153683 /nfs/dbraw/zinc/15/36/83/673153683.db2.gz WXFKXKQHNDBSRW-AWEZNQCLSA-N 0 3 369.487 1.710 20 10 FDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)C[N@H+](C)C1CC1 ZINC000289390167 676128226 /nfs/dbraw/zinc/12/82/26/676128226.db2.gz QUXOBJPWQLVWKG-OAHLLOKOSA-N 0 3 356.850 1.476 20 10 FDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289390167 676128228 /nfs/dbraw/zinc/12/82/28/676128228.db2.gz QUXOBJPWQLVWKG-OAHLLOKOSA-N 0 3 356.850 1.476 20 10 FDCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)ccc21 ZINC000655299252 770558542 /nfs/dbraw/zinc/55/85/42/770558542.db2.gz XQXOWLWMSSPMHN-ZWKOTPCHSA-N 0 3 371.481 1.796 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](c2cncn2C)N(C)C)N(C)C)cc1 ZINC000891246731 774086367 /nfs/dbraw/zinc/08/63/67/774086367.db2.gz CKSWTXGHLVWDFE-PKOBYXMFSA-N 0 3 372.517 1.508 20 10 FDCDHN COC(=O)c1cncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891248444 774097275 /nfs/dbraw/zinc/09/72/75/774097275.db2.gz LRWVGHYVGKSXCY-SFHVURJKSA-N 0 3 370.453 1.967 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)N(C)C)cc1 ZINC000891248270 774102412 /nfs/dbraw/zinc/10/24/12/774102412.db2.gz XHVGBLSJBGXGCG-ROUUACIJSA-N 0 3 360.502 1.730 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)N(C)C)cc1 ZINC000891251522 774133950 /nfs/dbraw/zinc/13/39/50/774133950.db2.gz FURXYAJFOAFEHN-KXBFYZLASA-N 0 3 355.486 2.000 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cccs2)N(C)C)cc1 ZINC000891257403 774166931 /nfs/dbraw/zinc/16/69/31/774166931.db2.gz GPOJUMYQRWHHKY-INIZCTEOSA-N 0 3 374.510 1.963 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cccs2)N(C)C)cc1 ZINC000891257404 774167826 /nfs/dbraw/zinc/16/78/26/774167826.db2.gz GPOJUMYQRWHHKY-MRXNPFEDSA-N 0 3 374.510 1.963 20 10 FDCDHN C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255751 774170460 /nfs/dbraw/zinc/17/04/60/774170460.db2.gz RSIKCRSYAQLIDR-KSSFIOAISA-N 0 3 372.469 1.883 20 10 FDCDHN COc1ccc(CNCc2cccnc2N2CCOCC2)c(O)c1OC ZINC000892543919 787137704 /nfs/dbraw/zinc/13/77/04/787137704.db2.gz QBLJOLZXVHCFFF-UHFFFAOYSA-N 0 3 359.426 1.931 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCc3n[nH]cc3C2)N(C)C)cc1 ZINC000893717658 809396211 /nfs/dbraw/zinc/39/62/11/809396211.db2.gz WJFVHYPFJJFMER-QFBILLFUSA-N 0 3 370.501 1.935 20 10 FDCDHN COC(=O)c1c(CNC[C@@H]2CN(C)CCN2C)c2cc(F)ccc2n1C ZINC000894255077 813963819 /nfs/dbraw/zinc/96/38/19/813963819.db2.gz ABEIZIIIAIQDSK-CQSZACIVSA-N 0 3 362.449 1.439 20 10 FDCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCOC4(CNC4)C3)ccc21 ZINC000664728339 817778603 /nfs/dbraw/zinc/77/86/03/817778603.db2.gz WVIWOJZVIQIRQW-UHFFFAOYSA-N 0 3 357.454 1.719 20 10 FDCDHN COC(=O)c1c(CNCCN2CCC(O)CC2)c2cc(F)ccc2n1C ZINC000894915522 819353109 /nfs/dbraw/zinc/35/31/09/819353109.db2.gz CLVPWSNOMRDSOA-UHFFFAOYSA-N 0 3 363.433 1.650 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc[nH]c2=O)N(C)C)cc1 ZINC000896040618 823971253 /nfs/dbraw/zinc/97/12/53/823971253.db2.gz ZWDVLTTVTOYQSE-QGZVFWFLSA-N 0 3 357.458 1.955 20 10 FDCDHN COc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCCN3CCO)cc1OC ZINC000897222257 827186956 /nfs/dbraw/zinc/18/69/56/827186956.db2.gz SRIVQQRNLFWADR-QWHCGFSZSA-N 0 3 351.403 1.647 20 10 FDCDHN COc1cc(I)cc(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204843841 833266618 /nfs/dbraw/zinc/26/66/18/833266618.db2.gz WUOKXKFGXZEOSK-ZJUUUORDSA-N 0 3 366.174 1.486 20 10 FDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000841722568 835226960 /nfs/dbraw/zinc/22/69/60/835226960.db2.gz OSTGBSORABPLBE-UXLLHSPISA-N 0 3 373.501 1.280 20 10 FDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897692622 840256089 /nfs/dbraw/zinc/25/60/89/840256089.db2.gz YKIMXJHLJZWSNC-GOSISDBHSA-N 0 3 352.431 1.862 20 10 FDCDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898723447 845109835 /nfs/dbraw/zinc/10/98/35/845109835.db2.gz ZANOFCDTHOWICF-UHFFFAOYSA-N 0 3 365.455 1.405 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](O)[C@H](F)C2)N(C)C)cc1 ZINC000899095711 845756888 /nfs/dbraw/zinc/75/68/88/845756888.db2.gz LEBBPTVKSTVVDF-IXDOHACOSA-N 0 3 352.454 1.470 20 10 FDCDHN CO[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899095394 845756959 /nfs/dbraw/zinc/75/69/59/845756959.db2.gz JCVNZKXIBPGLIP-IAGOWNOFSA-N 0 3 350.463 1.370 20 10 FDCDHN Cc1nnc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000899097501 845759794 /nfs/dbraw/zinc/75/97/94/845759794.db2.gz BJZNKLJLZZPPBS-INIZCTEOSA-N 0 3 360.462 1.888 20 10 FDCDHN COCC[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101393 845773472 /nfs/dbraw/zinc/77/34/72/845773472.db2.gz HNVJYCNFIQFIGK-WBVHZDCISA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC(=O)N(C)CC2)N(C)C)cc1 ZINC000899098811 845792351 /nfs/dbraw/zinc/79/23/51/845792351.db2.gz SKYUUVQDWVQKPB-KRWDZBQOSA-N 0 3 361.490 1.229 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2Cc3cncn3C2)N(C)C)cc1 ZINC000899099151 845793647 /nfs/dbraw/zinc/79/36/47/845793647.db2.gz WELLVSNOXXWDMY-CRAIPNDOSA-N 0 3 356.474 1.476 20 10 FDCDHN CCCN(CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1O ZINC000170779065 864941491 /nfs/dbraw/zinc/94/14/91/864941491.db2.gz RADCHKLAYOMTDM-UHFFFAOYSA-N 0 3 369.469 1.743 20 10 FDCDHN CN1CCCc2cc(CNS(=O)(=O)C[C@@]34CCN(C3)CCC4)ccc21 ZINC000914015049 870350962 /nfs/dbraw/zinc/35/09/62/870350962.db2.gz VVKGAWRMQLCYBL-IBGZPJMESA-N 0 3 363.527 1.974 20 10 FDCDHN Cn1ccnc(N2CCC[C@H](NCc3ccc4c(c3)CCCO4)C2)c1=O ZINC000922019036 894324017 /nfs/dbraw/zinc/32/40/17/894324017.db2.gz BSDFIWRJSKPXDS-KRWDZBQOSA-N 0 3 354.454 1.864 20 10 FDCDHN COc1ccc(N2CCCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)cc1 ZINC000763964405 901269733 /nfs/dbraw/zinc/26/97/33/901269733.db2.gz XOGMRPWHQPMNFC-LJQANCHMSA-N 0 3 358.486 1.124 20 10 FDCDHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000764000342 901946931 /nfs/dbraw/zinc/94/69/31/901946931.db2.gz XJEULJSEKUAMKN-QFBILLFUSA-N 0 3 358.486 1.090 20 10 FDCDHN C[C@@H](NCCc1nnnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000772468181 931301889 /nfs/dbraw/zinc/30/18/89/931301889.db2.gz RQFDRYIWIZKOQW-GFCCVEGCSA-N 0 3 350.854 1.593 20 10 FDCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000787668181 932363505 /nfs/dbraw/zinc/36/35/05/932363505.db2.gz DSYWICJGLVZEAK-CYBMUJFWSA-N 0 3 370.544 1.590 20 10 FDCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCc3nnnn3CC2)c1[O-] ZINC000817419387 942771127 /nfs/dbraw/zinc/77/11/27/942771127.db2.gz VBFPIGCLWIDQBA-NSHDSACASA-N 0 3 368.235 1.645 20 10 FDCDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000817831103 943041752 /nfs/dbraw/zinc/04/17/52/943041752.db2.gz JKZQTWZINUEFHG-GOSISDBHSA-N 0 3 356.470 1.232 20 10 FDCDHN CCN1CCN(C[C@@H](C)CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819164415 943456616 /nfs/dbraw/zinc/45/66/16/943456616.db2.gz IYGGGFCVPHUJOO-MRXNPFEDSA-N 0 3 374.485 1.430 20 10 FDCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000824677422 946676164 /nfs/dbraw/zinc/67/61/64/946676164.db2.gz DJRFGFYOHVNLFP-CQSZACIVSA-N 0 3 359.467 1.080 20 10 FDCDHN CC1(OCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CNC1 ZINC000844188826 947825209 /nfs/dbraw/zinc/82/52/09/947825209.db2.gz YKADRVNFKPUMKX-ZDUSSCGKSA-N 0 3 369.412 1.752 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 ZINC000844459224 948087380 /nfs/dbraw/zinc/08/73/80/948087380.db2.gz QVJDUIWZTOVCFH-RYQLBKOJSA-N 0 3 367.440 1.375 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846036079 950392184 /nfs/dbraw/zinc/39/21/84/950392184.db2.gz WUSKYUUNLIUHPP-LBPRGKRZSA-N 0 3 363.277 1.587 20 10 FDCDHN Cc1nsc(N2CCN(Cc3ccc(N4CCN(C)CC4)cc3)CC2)n1 ZINC000775719380 971703666 /nfs/dbraw/zinc/70/36/66/971703666.db2.gz SZOMJMZLDDGGMW-UHFFFAOYSA-N 0 3 372.542 1.921 20 10 FDCDHN C[C@H](NCC(=O)N1CCN(c2cnccn2)CC1)c1ccc(N(C)C)cc1 ZINC000772950576 951467534 /nfs/dbraw/zinc/46/75/34/951467534.db2.gz OAAGFJXWGMLYAA-INIZCTEOSA-N 0 3 368.485 1.542 20 10 FDCDHN CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846987524 951745806 /nfs/dbraw/zinc/74/58/06/951745806.db2.gz GTEPZJBCEQDAGK-ZDUSSCGKSA-N 0 3 355.460 1.320 20 10 FDCDHN CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846987524 951745810 /nfs/dbraw/zinc/74/58/10/951745810.db2.gz GTEPZJBCEQDAGK-ZDUSSCGKSA-N 0 3 355.460 1.320 20 10 FDCDHN O=S(=O)(Cc1ccccn1)NC1CCN(Cc2ccccc2O)CC1 ZINC001197851224 972475592 /nfs/dbraw/zinc/47/55/92/972475592.db2.gz NMPFLTGPQSEMEE-UHFFFAOYSA-N 0 3 361.467 1.871 20 10 FDCDHN C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CN1CCN(C)CC1 ZINC000773368242 961983045 /nfs/dbraw/zinc/98/30/45/961983045.db2.gz QAJJVDWEGGSJPY-IAGOWNOFSA-N 0 3 361.534 1.996 20 10 FDCDHN C[C@@H](N[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000774479584 962233088 /nfs/dbraw/zinc/23/30/88/962233088.db2.gz PUCDBOKWLFDALH-JKIFEVAISA-N 0 3 367.515 1.437 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774690223 963313071 /nfs/dbraw/zinc/31/30/71/963313071.db2.gz PQUPUYJEEPIZON-WOSRLPQWSA-N 0 3 351.399 1.361 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774690223 963313082 /nfs/dbraw/zinc/31/30/82/963313082.db2.gz PQUPUYJEEPIZON-WOSRLPQWSA-N 0 3 351.399 1.361 20 10 FDCDHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775369955 967714703 /nfs/dbraw/zinc/71/47/03/967714703.db2.gz JGNVCPWQRZVTNR-WFASDCNBSA-N 0 3 352.431 1.755 20 10 FDCDHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCCSc1nccs1 ZINC000853855928 968374616 /nfs/dbraw/zinc/37/46/16/968374616.db2.gz KYMNKXUFDIYJPP-UHFFFAOYSA-N 0 3 373.548 1.287 20 10 FDCDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299660 977469621 /nfs/dbraw/zinc/46/96/21/977469621.db2.gz LBIYKEKIXQJEDD-SFHVURJKSA-N 0 3 367.405 1.534 20 10 FDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849572195 977772927 /nfs/dbraw/zinc/77/29/27/977772927.db2.gz LKXFQSKNAMLLRL-COXVUDFISA-N 0 3 372.469 1.614 20 10 FDCDHN CN(C)c1ccncc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356851 978333594 /nfs/dbraw/zinc/33/35/94/978333594.db2.gz ZGDDPJXHNANVOS-UHFFFAOYSA-N 0 3 374.510 1.672 20 10 FDCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000776498603 978713178 /nfs/dbraw/zinc/71/31/78/978713178.db2.gz OXFURHJCPTZSGF-WMLDXEAASA-N 0 3 355.456 1.617 20 10 FDCDHN N[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC[C@H]1F ZINC000851655388 978986275 /nfs/dbraw/zinc/98/62/75/978986275.db2.gz SNFKMVUCIWAWAP-HZPDHXFCSA-N 0 3 352.479 1.821 20 10 FDCDHN CN1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000884201466 982976062 /nfs/dbraw/zinc/97/60/62/982976062.db2.gz YTFICTQHGYJBOE-QGZVFWFLSA-N 0 3 373.501 1.282 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCNCCC12CCC2 ZINC000884566083 983248888 /nfs/dbraw/zinc/24/88/88/983248888.db2.gz ANDTTYJLAWADCH-UHFFFAOYSA-N 0 3 368.481 1.424 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N1CCNCCC12CCC2)c1ccc(N(C)C)cc1 ZINC000884633551 983299586 /nfs/dbraw/zinc/29/95/86/983299586.db2.gz OPFAHPHRWKEQIM-OAHLLOKOSA-N 0 3 358.486 1.674 20 10 FDCDHN COCCOCC[N@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000862468760 984397647 /nfs/dbraw/zinc/39/76/47/984397647.db2.gz NRTBLRHANOINLX-UHFFFAOYSA-N 0 3 362.264 1.920 20 10 FDCDHN COCCOCC[N@@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000862468760 984397660 /nfs/dbraw/zinc/39/76/60/984397660.db2.gz NRTBLRHANOINLX-UHFFFAOYSA-N 0 3 362.264 1.920 20 10 FDCDHN C[C@]1(CO)CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@]1(C)CO ZINC000862518423 984403523 /nfs/dbraw/zinc/40/35/23/984403523.db2.gz DBYOGTPTPJKJMX-KDURUIRLSA-N 0 3 352.450 1.475 20 10 FDCDHN C[C@](O)(C[C@@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000872209669 987516826 /nfs/dbraw/zinc/51/68/26/987516826.db2.gz OOCABLATDUUFHJ-BEFAXECRSA-N 0 3 370.440 1.803 20 10 FDCDHN O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000872255339 987547071 /nfs/dbraw/zinc/54/70/71/987547071.db2.gz CDEZAZNEBCPSHY-BHYNMZESSA-N 0 3 355.797 1.552 20 10 FDCDHN CCNC(=O)NC(=O)[C@H](C)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000370865296 990058790 /nfs/dbraw/zinc/05/87/90/990058790.db2.gz QCTOFPILYSUUAD-AWEZNQCLSA-N 0 3 362.474 1.830 20 10 FDCDHN CN(C)CCn1c2cc(C(=O)NCCc3ccc(N)cc3)ccc2[nH]c1=O ZINC000876528133 992685874 /nfs/dbraw/zinc/68/58/74/992685874.db2.gz MALYDHDBCMUJNP-UHFFFAOYSA-N 0 3 367.453 1.858 20 10 FDCDHN O[C@H]1CCC[C@H]1N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876687212 992795811 /nfs/dbraw/zinc/79/58/11/992795811.db2.gz GLNPYKYJBQVRSD-RTWAWAEBSA-N 0 3 359.514 1.679 20 10 FDCDHN O=S1(=O)CCCC[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877304667 993201356 /nfs/dbraw/zinc/20/13/56/993201356.db2.gz MGDNFMSGBPUJSC-GOSISDBHSA-N 0 3 352.500 1.705 20 10 FDCDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877326563 993210725 /nfs/dbraw/zinc/21/07/25/993210725.db2.gz XQWFLHKYPNULRP-IBGZPJMESA-N 0 3 350.459 1.706 20 10 FDCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000877516489 993315896 /nfs/dbraw/zinc/31/58/96/993315896.db2.gz ATDGZFJYBPPROC-CQSZACIVSA-N 0 3 352.500 1.703 20 10 FDCDHN Cc1cccc([O-])c1C[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000877562561 993344122 /nfs/dbraw/zinc/34/41/22/993344122.db2.gz WTMSYSYRZZDUQN-UHFFFAOYSA-N 0 3 363.483 1.916 20 10 FDCDHN Cc1cccc([O-])c1C[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000877562561 993344129 /nfs/dbraw/zinc/34/41/29/993344129.db2.gz WTMSYSYRZZDUQN-UHFFFAOYSA-N 0 3 363.483 1.916 20 10 FDCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCN1C ZINC000924047125 994341897 /nfs/dbraw/zinc/34/18/97/994341897.db2.gz RGKQPMHAUXTOFN-KSSFIOAISA-N 0 3 373.501 1.280 20 10 FDCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000924256060 994522357 /nfs/dbraw/zinc/52/23/57/994522357.db2.gz MVXNAEBYMGWXRR-HOTGVXAUSA-N 0 3 372.513 1.877 20 10 FDCDHN CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879653065 995136536 /nfs/dbraw/zinc/13/65/36/995136536.db2.gz LPDIZAGDYDUXHZ-MJBXVCDLSA-N 0 3 354.472 1.467 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c1 ZINC000926962543 996373928 /nfs/dbraw/zinc/37/39/28/996373928.db2.gz BNYVAWMLMUPJPH-AWEZNQCLSA-N 0 3 371.437 1.484 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)c3cncc(O)c3)CC2)cc1 ZINC000264825583 997625989 /nfs/dbraw/zinc/62/59/89/997625989.db2.gz IARGWALURSDMJP-UHFFFAOYSA-N 0 3 370.453 1.738 20 10 FDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000284019957 999771188 /nfs/dbraw/zinc/77/11/88/999771188.db2.gz OHZFLATWABFKLE-CQSZACIVSA-N 0 3 364.465 1.499 20 10 FDCDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928709922 1001633046 /nfs/dbraw/zinc/63/30/46/1001633046.db2.gz NYUHFWGEEBLUNM-ZDUSSCGKSA-N 0 3 355.410 1.602 20 10 FDCDHN Cc1nccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000892193161 782106997 /nfs/dbraw/zinc/10/69/97/782106997.db2.gz VTGCDPBDZNHAFK-GOSISDBHSA-N 0 3 356.474 1.953 20 10 FDCDHN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000271097050 674309130 /nfs/dbraw/zinc/30/91/30/674309130.db2.gz NKEJICWMKWACPQ-CYBMUJFWSA-N 0 3 356.444 1.415 20 10 FDCDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000271226965 674325091 /nfs/dbraw/zinc/32/50/91/674325091.db2.gz CHSQUKAFIYJVOX-WFASDCNBSA-N 0 3 367.471 1.320 20 10 FDCDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000271226965 674325095 /nfs/dbraw/zinc/32/50/95/674325095.db2.gz CHSQUKAFIYJVOX-WFASDCNBSA-N 0 3 367.471 1.320 20 10 FDCDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000122311972 524506741 /nfs/dbraw/zinc/50/67/41/524506741.db2.gz AWVUJPHFOLFIDE-RDJZCZTQSA-N 0 3 358.486 1.948 20 10 FDCDHN Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3ccccc3[O-])CC2)cn1 ZINC000153992276 525385595 /nfs/dbraw/zinc/38/55/95/525385595.db2.gz YAMVSIFGTQMBIA-UHFFFAOYSA-N 0 3 350.444 1.069 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3[C@H](C)O)CC2)cc1 ZINC000170956561 525783226 /nfs/dbraw/zinc/78/32/26/525783226.db2.gz FDUJKFCWHWOZDH-QFBILLFUSA-N 0 3 361.486 1.579 20 10 FDCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000186064233 536224668 /nfs/dbraw/zinc/22/46/68/536224668.db2.gz VYTZOTFMQXDDGO-HIFRSBDPSA-N 0 3 351.422 1.115 20 10 FDCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000268145295 537011759 /nfs/dbraw/zinc/01/17/59/537011759.db2.gz SKLKYTZUTRMMPT-BEFAXECRSA-N 0 3 358.486 1.805 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1CSC)cc2=O ZINC000268955699 537016861 /nfs/dbraw/zinc/01/68/61/537016861.db2.gz FZPOEIDGYGZKSY-GFCCVEGCSA-N 0 3 350.444 1.939 20 10 FDCDHN C[C@@H](CO)N1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000364938942 537401488 /nfs/dbraw/zinc/40/14/88/537401488.db2.gz WNQVPKZWVGORBR-MOTZXUDYSA-N 0 3 373.497 1.452 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)CC3CCN(C)CC3)CC2)cc1 ZINC000291406094 537582699 /nfs/dbraw/zinc/58/26/99/537582699.db2.gz BTTFFEAPGGVAAJ-UHFFFAOYSA-N 0 3 374.529 1.665 20 10 FDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000295139003 537710851 /nfs/dbraw/zinc/71/08/51/537710851.db2.gz ZFXPUYFZCWCGRI-GFCCVEGCSA-N 0 3 365.293 1.881 20 10 FDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285608376 537736532 /nfs/dbraw/zinc/73/65/32/537736532.db2.gz VPNYWYNRWQTDGE-XJKSGUPXSA-N 0 3 356.488 1.989 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1=CCN(C)CC1 ZINC000285622740 537738362 /nfs/dbraw/zinc/73/83/62/537738362.db2.gz DOBLWNAJXVDBCO-CYBMUJFWSA-N 0 3 362.449 1.275 20 10 FDCDHN CN(C)c1ccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1F ZINC000285508634 675831707 /nfs/dbraw/zinc/83/17/07/675831707.db2.gz NXMDYBZKSWFKJO-CQSZACIVSA-N 0 3 355.479 1.938 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@H]3C(=O)NC[C@H]3C2)c1O ZINC000367923194 677496830 /nfs/dbraw/zinc/49/68/30/677496830.db2.gz FJPHTMOFEFXUDZ-CMPLNLGQSA-N 0 3 355.232 1.731 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)c3cnccc3N)CC2)cc1 ZINC000275387185 771772970 /nfs/dbraw/zinc/77/29/70/771772970.db2.gz AIVJLNLKQXPLJJ-UHFFFAOYSA-N 0 3 369.469 1.615 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccnc2C(N)=O)N(C)C)cc1 ZINC000891246331 774087352 /nfs/dbraw/zinc/08/73/52/774087352.db2.gz ATUNYQCSEGNLDY-INIZCTEOSA-N 0 3 355.442 1.279 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3nncn3C2)N(C)C)cc1 ZINC000891247390 774093963 /nfs/dbraw/zinc/09/39/63/774093963.db2.gz JTGKEPUFUXDBPU-WBVHZDCISA-N 0 3 356.474 1.326 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCn3cncc3C2)N(C)C)cc1 ZINC000891247502 774094183 /nfs/dbraw/zinc/09/41/83/774094183.db2.gz HVTVKGFRTGPPNT-APWZRJJASA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnc3c2nnn3C)N(C)C)cc1 ZINC000891249655 774110105 /nfs/dbraw/zinc/11/01/05/774110105.db2.gz RSISUOLFDUCFGA-INIZCTEOSA-N 0 3 367.457 1.462 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCn2cnccc2=O)N(C)C)cc1 ZINC000891250163 774120915 /nfs/dbraw/zinc/12/09/15/774120915.db2.gz UZVBUKLUOABDJP-QGZVFWFLSA-N 0 3 357.458 1.119 20 10 FDCDHN CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891251095 774128545 /nfs/dbraw/zinc/12/85/45/774128545.db2.gz DRZUYRSMTZHHKV-FUHWJXTLSA-N 0 3 360.502 1.730 20 10 FDCDHN Cc1nn(C)c(=O)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891252349 774141824 /nfs/dbraw/zinc/14/18/24/774141824.db2.gz JOPMSSSXNJPIBG-QGZVFWFLSA-N 0 3 371.485 1.496 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CN2CCSC2=O)N(C)C)cc1 ZINC000891256543 774164575 /nfs/dbraw/zinc/16/45/75/774164575.db2.gz ZMEWKXOIXVENMP-HNNXBMFYSA-N 0 3 350.488 1.640 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2nc3ncccn3n2)N(C)C)cc1 ZINC000891255421 774169644 /nfs/dbraw/zinc/16/96/44/774169644.db2.gz OWDFPSJPRDNQPX-MRXNPFEDSA-N 0 3 367.457 1.152 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CN2CCCCCC2=O)N(C)C)cc1 ZINC000891257594 774173241 /nfs/dbraw/zinc/17/32/41/774173241.db2.gz IXBSBFZHRQIMQW-SFHVURJKSA-N 0 3 360.502 1.874 20 10 FDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1F ZINC000892486262 785182575 /nfs/dbraw/zinc/18/25/75/785182575.db2.gz TVURPUPOJAHWTB-ROUUACIJSA-N 0 3 364.465 1.632 20 10 FDCDHN CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)ccc21 ZINC000892492827 785262065 /nfs/dbraw/zinc/26/20/65/785262065.db2.gz UOUMDIXJQBTVDH-UXHICEINSA-N 0 3 372.513 1.810 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2ccnn2C)N(C)C)cc1 ZINC000894216791 811271100 /nfs/dbraw/zinc/27/11/00/811271100.db2.gz JOYLFLCXAWPMRF-SFHVURJKSA-N 0 3 358.490 1.631 20 10 FDCDHN COC(=O)c1c(CNC[C@@H](O)c2cnn(C)c2)c2cc(F)ccc2n1C ZINC000894315602 816545543 /nfs/dbraw/zinc/54/55/43/816545543.db2.gz LHJHHLYLYKRKSS-MRXNPFEDSA-N 0 3 360.389 1.661 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NOC[C@@H]2CCOC2)N(C)C)cc1 ZINC000894372512 817833077 /nfs/dbraw/zinc/83/30/77/817833077.db2.gz KIUWCJVVMXCBGG-PBHICJAKSA-N 0 3 350.463 1.623 20 10 FDCDHN COC(=O)c1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000895608422 822670562 /nfs/dbraw/zinc/67/05/62/822670562.db2.gz MEVAVYPTVKJABY-UHFFFAOYSA-N 0 3 360.483 1.971 20 10 FDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897692623 840256306 /nfs/dbraw/zinc/25/63/06/840256306.db2.gz YKIMXJHLJZWSNC-SFHVURJKSA-N 0 3 352.431 1.862 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)C(F)(F)F)N(C)C)cc1 ZINC000899102823 845775322 /nfs/dbraw/zinc/77/53/22/845775322.db2.gz SJDMXARVWXUESL-KGLIPLIRSA-N 0 3 362.396 1.578 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)c2cnn(C)c2)N(C)C)cc1 ZINC000899102609 845775495 /nfs/dbraw/zinc/77/54/95/845775495.db2.gz RGSLSMZJLCRHAP-ZWKOTPCHSA-N 0 3 374.489 1.122 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)CC(F)F)N(C)C)cc1 ZINC000899104944 845778305 /nfs/dbraw/zinc/77/83/05/845778305.db2.gz SWWLDCAQTAUTQD-DZGCQCFKSA-N 0 3 358.433 1.671 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCc3ncncc3C2)N(C)C)cc1 ZINC000899098506 845791344 /nfs/dbraw/zinc/79/13/44/845791344.db2.gz PBZKFPQKYNBRIZ-LJQANCHMSA-N 0 3 368.485 1.913 20 10 FDCDHN CC(C)[C@H](CO)ONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099085 845793881 /nfs/dbraw/zinc/79/38/81/845793881.db2.gz VELQUTSMZMHLSC-IRXDYDNUSA-N 0 3 352.479 1.603 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@](F)(CO)C2)N(C)C)cc1 ZINC000899100568 845797727 /nfs/dbraw/zinc/79/77/27/845797727.db2.gz ANWNAHQIIIPBNQ-FUHWJXTLSA-N 0 3 352.454 1.471 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](n3cncn3)C2)N(C)C)cc1 ZINC000899101171 845798673 /nfs/dbraw/zinc/79/86/73/845798673.db2.gz FRGDJDSBVSAZSU-QZTJIDSGSA-N 0 3 371.489 1.603 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3CCN3C)cc2F)CC1 ZINC000917233940 883253481 /nfs/dbraw/zinc/25/34/81/883253481.db2.gz ZGAMRDLDCUERTH-INIZCTEOSA-N 0 3 363.481 1.471 20 10 FDCDHN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NCc1cncn1C ZINC001082953611 911091929 /nfs/dbraw/zinc/09/19/29/911091929.db2.gz PNNJBOYBJWBZQG-MLGOLLRUSA-N 0 3 369.429 1.833 20 10 FDCDHN O=C(CN[C@H](CO)C1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000771802019 930916802 /nfs/dbraw/zinc/91/68/02/930916802.db2.gz KKALGCQMNZEANB-QGZVFWFLSA-N 0 3 364.401 1.761 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000787674387 932350128 /nfs/dbraw/zinc/35/01/28/932350128.db2.gz CYEYUAPCSQAPHS-QGZVFWFLSA-N 0 3 374.529 1.997 20 10 FDCDHN CN1CCN(c2ccc(CN3CCC[C@@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000816619294 942279645 /nfs/dbraw/zinc/27/96/45/942279645.db2.gz ABUHLHMFTRANQD-GOSISDBHSA-N 0 3 365.543 1.695 20 10 FDCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000817834166 942996262 /nfs/dbraw/zinc/99/62/62/942996262.db2.gz YMXSWAJWJYIEMU-QAPCUYQASA-N 0 3 360.502 1.871 20 10 FDCDHN C[C@@H](NCC(=O)N1CCNCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817945835 943090427 /nfs/dbraw/zinc/09/04/27/943090427.db2.gz NCHQIFSHGXELJM-CQSZACIVSA-N 0 3 366.893 1.259 20 10 FDCDHN CCN1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000825278612 947102503 /nfs/dbraw/zinc/10/25/03/947102503.db2.gz GCNYSODDUFFINB-UHFFFAOYSA-N 0 3 366.462 1.815 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC(=O)COC3(C)CNC3)cc2F)C[C@@H](C)O1 ZINC000844172466 947815574 /nfs/dbraw/zinc/81/55/74/947815574.db2.gz GZTNJXJAFYEUEC-ZIAGYGMSSA-N 0 3 365.449 1.434 20 10 FDCDHN C[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846183152 950661247 /nfs/dbraw/zinc/66/12/47/950661247.db2.gz FARRESJDUKZZCB-HIFRSBDPSA-N 0 3 371.478 1.347 20 10 FDCDHN CCN1CCN(CCC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000846447042 951068823 /nfs/dbraw/zinc/06/88/23/951068823.db2.gz OPHXCTYULFRRRT-UHFFFAOYSA-N 0 3 362.518 1.617 20 10 FDCDHN CC(C)(C)OC(=O)N1C[C@H](NC[C@@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001171680358 961241274 /nfs/dbraw/zinc/24/12/74/961241274.db2.gz VADGQYHVERRRFK-BXUZGUMPSA-N 0 3 352.387 1.257 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)CNS(N)(=O)=O)c1[O-] ZINC001183620524 963195250 /nfs/dbraw/zinc/19/52/50/963195250.db2.gz SXDLTEWTHYQKTD-UHFFFAOYSA-N 0 3 366.281 1.124 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774690233 963313288 /nfs/dbraw/zinc/31/32/88/963313288.db2.gz PQUPUYJEEPIZON-XEZPLFJOSA-N 0 3 351.399 1.361 20 10 FDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774690233 963313296 /nfs/dbraw/zinc/31/32/96/963313296.db2.gz PQUPUYJEEPIZON-XEZPLFJOSA-N 0 3 351.399 1.361 20 10 FDCDHN C[C@H](NCC(=O)NCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000775261478 967007849 /nfs/dbraw/zinc/00/78/49/967007849.db2.gz VJQVHIUPMWTCFZ-INIZCTEOSA-N 0 3 354.454 1.885 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN(C)Cc3c[nH]cn3)CC2)cc1 ZINC000852288687 967190753 /nfs/dbraw/zinc/19/07/53/967190753.db2.gz RWJZMOZRKCGDQG-GOSISDBHSA-N 0 3 359.474 1.033 20 10 FDCDHN O=C(NCCN1CCCCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853015652 967775309 /nfs/dbraw/zinc/77/53/09/967775309.db2.gz UTAOCLJZKZNKRN-UHFFFAOYSA-N 0 3 360.502 1.933 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)C3(N(C)C)CC3)CC2)cc1 ZINC000854308894 968762180 /nfs/dbraw/zinc/76/21/80/968762180.db2.gz CZAOSUKJUCJRCL-UHFFFAOYSA-N 0 3 360.502 1.418 20 10 FDCDHN CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001199270487 974105521 /nfs/dbraw/zinc/10/55/21/974105521.db2.gz KDKNVDYAWBWRMJ-KZMDQRICSA-N 0 3 359.430 1.980 20 10 FDCDHN C[NH+](C)CCN1CCN(Cc2cc(Br)ccc2[O-])CC1=O ZINC000846010584 975114271 /nfs/dbraw/zinc/11/42/71/975114271.db2.gz GCEFFXCWSVJVKD-UHFFFAOYSA-N 0 3 356.264 1.361 20 10 FDCDHN COc1ccc(N2CC[C@H](CNS(=O)(=O)CCCN(C)C)C2)cc1 ZINC000867428314 975238461 /nfs/dbraw/zinc/23/84/61/975238461.db2.gz JKVJHTKSEIVCEN-OAHLLOKOSA-N 0 3 355.504 1.393 20 10 FDCDHN C[C@@H](NS(=O)(=O)CCCN(C)C)c1ccc(N2CCOCC2)cc1 ZINC000866603573 975826802 /nfs/dbraw/zinc/82/68/02/975826802.db2.gz BJFRROIYKPZMCA-OAHLLOKOSA-N 0 3 355.504 1.455 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c1[O-] ZINC000848553506 976901012 /nfs/dbraw/zinc/90/10/12/976901012.db2.gz UGSBMHKSARAKLS-ONGXEEELSA-N 0 3 371.235 1.467 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)Cn3ncc4ncccc43)CC2)cc1 ZINC000849325379 977426908 /nfs/dbraw/zinc/42/69/08/977426908.db2.gz GXLZXYRQWJYXOA-KRWDZBQOSA-N 0 3 367.453 1.623 20 10 FDCDHN C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1O ZINC000868309917 977487558 /nfs/dbraw/zinc/48/75/58/977487558.db2.gz NGZHYOJWXLFGMR-ACJLOTCBSA-N 0 3 369.421 1.869 20 10 FDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cnc4n3CCC4)cc2)C1 ZINC000850058501 978133750 /nfs/dbraw/zinc/13/37/50/978133750.db2.gz DEKPRMQPFNRZKE-MRXNPFEDSA-N 0 3 353.470 1.821 20 10 FDCDHN CN(C)c1ccc(CNC(=O)Cn2cc([C@H](N)C3CCOCC3)nn2)cc1 ZINC000881094338 979656428 /nfs/dbraw/zinc/65/64/28/979656428.db2.gz IMAUGQVPNWHJDK-LJQANCHMSA-N 0 3 372.473 1.087 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000862143834 984154301 /nfs/dbraw/zinc/15/43/01/984154301.db2.gz ONRXWICBZJYPQY-ZWKOTPCHSA-N 0 3 367.449 1.798 20 10 FDCDHN COc1ccc(N2CCC(N(C)CC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000370865313 990058895 /nfs/dbraw/zinc/05/88/95/990058895.db2.gz QKTRZPBLIIVLTC-LJQANCHMSA-N 0 3 361.486 1.891 20 10 FDCDHN O=C(CNCc1cc2c(cc1O)OCO2)N[C@H]1CCOc2ccccc21 ZINC000374292462 992755306 /nfs/dbraw/zinc/75/53/06/992755306.db2.gz GOFCXVNXKSGNQI-AWEZNQCLSA-N 0 3 356.378 1.851 20 10 FDCDHN NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000375522108 993210056 /nfs/dbraw/zinc/21/00/56/993210056.db2.gz GFVCFRATZAJWAZ-FQEVSTJZSA-N 0 3 356.422 1.783 20 10 FDCDHN NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000375522108 993210066 /nfs/dbraw/zinc/21/00/66/993210066.db2.gz GFVCFRATZAJWAZ-FQEVSTJZSA-N 0 3 356.422 1.783 20 10 FDCDHN COc1ccc(N2CCN(C(=O)N[C@H]3CCN(C)[C@H]3C)CC2)c(OC)c1 ZINC000925342585 995514258 /nfs/dbraw/zinc/51/42/58/995514258.db2.gz BVPVTUDQJUWKIN-HOCLYGCPSA-N 0 3 362.474 1.628 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CNCCO3)cc2F)C[C@H](C)O1 ZINC000269252780 999466004 /nfs/dbraw/zinc/46/60/04/999466004.db2.gz QLYHKIMUIOXKEC-LZWOXQAQSA-N 0 3 365.449 1.434 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC(CCC(N)=O)CC2)cc1 ZINC000271280848 999684637 /nfs/dbraw/zinc/68/46/37/999684637.db2.gz ZLZAUWAOEMJKDQ-UHFFFAOYSA-N 0 3 360.502 1.689 20 10 FDCDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000285348497 999910501 /nfs/dbraw/zinc/91/05/01/999910501.db2.gz UFCSLSFSDOKOGX-HFEMZURISA-N 0 3 371.481 1.468 20 10 FDCDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000285348492 999910605 /nfs/dbraw/zinc/91/06/05/999910605.db2.gz UFCSLSFSDOKOGX-FOPBSNOLSA-N 0 3 371.481 1.468 20 10 FDCDHN C[C@H](NCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccccc1O ZINC000931555242 1004259892 /nfs/dbraw/zinc/25/98/92/1004259892.db2.gz VSSKYYNQYDNBHK-NSHDSACASA-N 0 3 361.364 1.522 20 10 FDCDHN C[C@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccccc1[O-] ZINC000931555242 1004259899 /nfs/dbraw/zinc/25/98/99/1004259899.db2.gz VSSKYYNQYDNBHK-NSHDSACASA-N 0 3 361.364 1.522 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CC[C@H](C3CC3)C2)N(C)C)cc1 ZINC000934318765 1005731818 /nfs/dbraw/zinc/73/18/18/1005731818.db2.gz CSKAUNYXWJWRTG-HKUYNNGSSA-N 0 3 372.513 1.730 20 10 FDCDHN Oc1ccc2ccc(O)c(CN3CCOCC3)c2c1CN1CCOCC1 ZINC000047219554 1007003192 /nfs/dbraw/zinc/00/31/92/1007003192.db2.gz OZHBQRYGYXNTOZ-UHFFFAOYSA-N 0 3 358.438 1.915 20 10 FDCDHN C[C@@H](O)c1cn(C2CN(Cc3ccc(N4CCN(C)CC4)cc3)C2)nn1 ZINC000779614015 1010391356 /nfs/dbraw/zinc/39/13/56/1010391356.db2.gz NEABBPNRUKZZTC-OAHLLOKOSA-N 0 3 356.474 1.140 20 10 FDCDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000271226962 674325059 /nfs/dbraw/zinc/32/50/59/674325059.db2.gz CHSQUKAFIYJVOX-DOMZBBRYSA-N 0 3 367.471 1.320 20 10 FDCDHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000271226962 674325063 /nfs/dbraw/zinc/32/50/63/674325063.db2.gz CHSQUKAFIYJVOX-DOMZBBRYSA-N 0 3 367.471 1.320 20 10 FDCDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[N@@H+]1C ZINC000271395187 674339892 /nfs/dbraw/zinc/33/98/92/674339892.db2.gz MQASZMLBQNUNON-YPMHNXCESA-N 0 3 355.460 1.318 20 10 FDCDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[N@H+]1C ZINC000271395187 674339893 /nfs/dbraw/zinc/33/98/93/674339893.db2.gz MQASZMLBQNUNON-YPMHNXCESA-N 0 3 355.460 1.318 20 10 FDCDHN C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271428573 674342856 /nfs/dbraw/zinc/34/28/56/674342856.db2.gz SOFARNBQZKRWLB-SMDDNHRTSA-N 0 3 355.460 1.176 20 10 FDCDHN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271428573 674342857 /nfs/dbraw/zinc/34/28/57/674342857.db2.gz SOFARNBQZKRWLB-SMDDNHRTSA-N 0 3 355.460 1.176 20 10 FDCDHN C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180207928 525675032 /nfs/dbraw/zinc/67/50/32/525675032.db2.gz WHESMXAPDTYMEH-ZDUSSCGKSA-N 0 3 361.421 1.466 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)C[C@@H]3CCCOC3)CC2)cc1 ZINC000107692580 525910428 /nfs/dbraw/zinc/91/04/28/525910428.db2.gz GEJDSASSALCECH-KRWDZBQOSA-N 0 3 361.486 1.702 20 10 FDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000186101892 536225542 /nfs/dbraw/zinc/22/55/42/536225542.db2.gz ZTVPBYFCWXNQBM-HNNXBMFYSA-N 0 3 365.497 1.717 20 10 FDCDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000285794160 537288898 /nfs/dbraw/zinc/28/88/98/537288898.db2.gz UXQICMCOLOMGIG-ZFWWWQNUSA-N 0 3 364.465 1.449 20 10 FDCDHN CCN(CCC[NH+](CC)CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000276299705 537404399 /nfs/dbraw/zinc/40/43/99/537404399.db2.gz ADNMZIUASNHVAT-UHFFFAOYSA-N 0 3 371.503 1.958 20 10 FDCDHN CN(C)c1ccc(CNCCN2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000280810005 537466515 /nfs/dbraw/zinc/46/65/15/537466515.db2.gz IATHPPBXKQSPRB-UHFFFAOYSA-N 0 3 365.421 1.897 20 10 FDCDHN Cn1ccc(N2CC[C@H](NCc3ccc(N4CCOCC4)cc3)C2=O)n1 ZINC000360091527 537576577 /nfs/dbraw/zinc/57/65/77/537576577.db2.gz DGQQYRKBWYAYLD-KRWDZBQOSA-N 0 3 355.442 1.152 20 10 FDCDHN CCOC(=O)CNC(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293906408 537620603 /nfs/dbraw/zinc/62/06/03/537620603.db2.gz WMUAKJIOQKQGNQ-UHFFFAOYSA-N 0 3 361.486 1.952 20 10 FDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000285608370 537736497 /nfs/dbraw/zinc/73/64/97/537736497.db2.gz VPNYWYNRWQTDGE-CJNGLKHVSA-N 0 3 356.488 1.989 20 10 FDCDHN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1=CCN(C)CC1 ZINC000285622744 537738459 /nfs/dbraw/zinc/73/84/59/537738459.db2.gz DOBLWNAJXVDBCO-ZDUSSCGKSA-N 0 3 362.449 1.275 20 10 FDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000371833922 537832936 /nfs/dbraw/zinc/83/29/36/537832936.db2.gz FPLIRZOYIMPWED-DNVCBOLYSA-N 0 3 350.459 1.933 20 10 FDCDHN C[NH+](C)CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1 ZINC000274244106 674588488 /nfs/dbraw/zinc/58/84/88/674588488.db2.gz RWBNDHOZGFIIQZ-UHFFFAOYSA-N 0 3 369.487 1.616 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000115899888 671654590 /nfs/dbraw/zinc/65/45/90/671654590.db2.gz PTKSUWAIRBRNJK-STQMWFEESA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[N@H+]1CCC[C@H](C)C1 ZINC000115899888 671654594 /nfs/dbraw/zinc/65/45/94/671654594.db2.gz PTKSUWAIRBRNJK-STQMWFEESA-N 0 3 369.487 1.614 20 10 FDCDHN COc1ccc(O)c(CNCCS(=O)(=O)NCc2ccccc2)c1 ZINC000181152852 672189589 /nfs/dbraw/zinc/18/95/89/672189589.db2.gz DJBVNSQHSOATCP-UHFFFAOYSA-N 0 3 350.440 1.610 20 10 FDCDHN COc1c([O-])c(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000282378151 675628126 /nfs/dbraw/zinc/62/81/26/675628126.db2.gz QOJJOVRFISOIRS-UHFFFAOYSA-N 0 3 352.435 1.425 20 10 FDCDHN CN(Cc1cc2c(cc1O)OCO2)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295197796 676402276 /nfs/dbraw/zinc/40/22/76/676402276.db2.gz YFXCAYKLUOWJQS-LBPRGKRZSA-N 0 3 354.403 1.438 20 10 FDCDHN O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000297150360 676424445 /nfs/dbraw/zinc/42/44/45/676424445.db2.gz ZYLZMYGLIKFBKQ-OLZOCXBDSA-N 0 3 353.465 1.865 20 10 FDCDHN COc1cc(O)c(CN2CCC3(CC2)SCC(=O)N3C)cc1OC ZINC000363873461 676976690 /nfs/dbraw/zinc/97/66/90/676976690.db2.gz CVUOIURQBKDGGL-UHFFFAOYSA-N 0 3 352.456 1.907 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccc(C(N)=O)o2)N(C)C)cc1 ZINC000891246191 774084506 /nfs/dbraw/zinc/08/45/06/774084506.db2.gz NEWARAZIYVISHX-LUJNMSEFSA-N 0 3 370.453 1.877 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3n(n2)CCCO3)N(C)C)cc1 ZINC000891246721 774086520 /nfs/dbraw/zinc/08/65/20/774086520.db2.gz CJWMXFNQIRGFSR-QGZVFWFLSA-N 0 3 357.458 1.764 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc3n[nH]nc3n2)N(C)C)cc1 ZINC000891247946 774099667 /nfs/dbraw/zinc/09/96/67/774099667.db2.gz IXBXXJFPVAHKJH-INIZCTEOSA-N 0 3 353.430 1.452 20 10 FDCDHN CN(C)c1noc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891249385 774106553 /nfs/dbraw/zinc/10/65/53/774106553.db2.gz SCXCIBATOJMVOW-MRXNPFEDSA-N 0 3 374.489 1.553 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(O)CCSCC2)N(C)C)cc1 ZINC000891249493 774108194 /nfs/dbraw/zinc/10/81/94/774108194.db2.gz SZKPIQCPEOKRRI-INIZCTEOSA-N 0 3 351.516 1.730 20 10 FDCDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891248716 774111128 /nfs/dbraw/zinc/11/11/28/774111128.db2.gz NHLACZDIUQOKTC-HNNXBMFYSA-N 0 3 374.445 1.910 20 10 FDCDHN CCCC[C@H](NC(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251183 774128805 /nfs/dbraw/zinc/12/88/05/774128805.db2.gz ARENKZGIHQMSDL-DLBZAZTESA-N 0 3 363.506 1.699 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3nncn3c2)N(C)C)cc1 ZINC000891255939 774160504 /nfs/dbraw/zinc/16/05/04/774160504.db2.gz SVOHMGVXVGJTJG-QGZVFWFLSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)cn2)N(C)C)cc1 ZINC000891255943 774160600 /nfs/dbraw/zinc/16/06/00/774160600.db2.gz SYWQQSJVMSASQP-QGZVFWFLSA-N 0 3 355.442 1.279 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000891256539 774164561 /nfs/dbraw/zinc/16/45/61/774164561.db2.gz ZJEDMUMJWNFJIO-INIZCTEOSA-N 0 3 360.418 1.276 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCNC(=O)C2CC2)N(C)C)cc1 ZINC000891552352 778286653 /nfs/dbraw/zinc/28/66/53/778286653.db2.gz DXSSBZFNYLDNFL-QGZVFWFLSA-N 0 3 361.490 1.181 20 10 FDCDHN COC[C@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893121202 793086422 /nfs/dbraw/zinc/08/64/22/793086422.db2.gz PKYOUQXVERCOGS-RDJZCZTQSA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCN(C)C2=O)N(C)C)cc1 ZINC000893417999 802603698 /nfs/dbraw/zinc/60/36/98/802603698.db2.gz FVZAYANVSYPKMG-IRXDYDNUSA-N 0 3 361.490 1.275 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCn3ccnc3C2)N(C)C)cc1 ZINC000894310044 816196105 /nfs/dbraw/zinc/19/61/05/816196105.db2.gz RRYYQQFZCBWNQB-WMZOPIPTSA-N 0 3 370.501 1.866 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCc2ncn(C)n2)N(C)C)cc1 ZINC000895498102 822629293 /nfs/dbraw/zinc/62/92/93/822629293.db2.gz JOIHWWYOAZGTHP-QGZVFWFLSA-N 0 3 373.505 1.416 20 10 FDCDHN CCCN(C)CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000760087406 825023140 /nfs/dbraw/zinc/02/31/40/825023140.db2.gz ZAVDZXIESFXVGY-UHFFFAOYSA-N 0 3 365.474 1.703 20 10 FDCDHN Cc1cc(Br)cc(CN2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897061690 826847983 /nfs/dbraw/zinc/84/79/83/826847983.db2.gz NFAZAGRIUYDQFJ-SNVBAGLBSA-N 0 3 363.277 1.574 20 10 FDCDHN CN(c1cccc(CNCc2cc3c(cc2O)OCO3)c1)S(C)(=O)=O ZINC000898286310 840936138 /nfs/dbraw/zinc/93/61/38/840936138.db2.gz FKTXSBYYVOVOGS-UHFFFAOYSA-N 0 3 364.423 1.807 20 10 FDCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1[O-] ZINC000927025873 843328170 /nfs/dbraw/zinc/32/81/70/843328170.db2.gz OWJHKEVZNRYNFT-MWLCHTKSSA-N 0 3 366.277 1.519 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)[C@@H]2CCCO2)N(C)C)cc1 ZINC000899097702 845759757 /nfs/dbraw/zinc/75/97/57/845759757.db2.gz FOTXJHNVXMRFFU-KSZLIROESA-N 0 3 364.490 1.194 20 10 FDCDHN Cc1nnc(CN(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000899097502 845760004 /nfs/dbraw/zinc/76/00/04/845760004.db2.gz BJZNKLJLZZPPBS-MRXNPFEDSA-N 0 3 360.462 1.888 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C(=O)C3CC3)C2)N(C)C)cc1 ZINC000899097717 845760067 /nfs/dbraw/zinc/76/00/67/845760067.db2.gz FXJILNFCTPXBPO-GOSISDBHSA-N 0 3 373.501 1.577 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC3(C2)OCCO3)N(C)C)cc1 ZINC000899101839 845774461 /nfs/dbraw/zinc/77/44/61/845774461.db2.gz MSBINKGLXYZTHJ-QGZVFWFLSA-N 0 3 362.474 1.514 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000899104166 845777491 /nfs/dbraw/zinc/77/74/91/845777491.db2.gz QFYHEGSVULWSDA-GOSISDBHSA-N 0 3 356.474 1.846 20 10 FDCDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842235091 845791768 /nfs/dbraw/zinc/79/17/68/845791768.db2.gz CLZSEZQTCTXPBY-UHFFFAOYSA-N 0 3 374.510 1.579 20 10 FDCDHN C[C@](O)(CNCc1ccc(N2CCC(C(N)=O)CC2)cc1)C(F)(F)F ZINC000905483466 851955706 /nfs/dbraw/zinc/95/57/06/851955706.db2.gz YVWMNQLPNGELAX-INIZCTEOSA-N 0 3 359.392 1.791 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000174046065 866240692 /nfs/dbraw/zinc/24/06/92/866240692.db2.gz ODJRGJAPEQLOIB-QGZVFWFLSA-N 0 3 360.502 1.559 20 10 FDCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1C ZINC000914242494 871993817 /nfs/dbraw/zinc/99/38/17/871993817.db2.gz LRYFRGCSCAMQAM-SUMWQHHRSA-N 0 3 364.465 1.679 20 10 FDCDHN Cn1nc2c(c1CNCc1ccc(N3CCC(C(N)=O)CC3)cc1)CCC2 ZINC000922340155 877768468 /nfs/dbraw/zinc/76/84/68/877768468.db2.gz VVINDDMJHXWRHI-UHFFFAOYSA-N 0 3 367.497 1.900 20 10 FDCDHN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000763485630 889821513 /nfs/dbraw/zinc/82/15/13/889821513.db2.gz GYCIXXDDFLBLJK-FXAWDEMLSA-N 0 3 373.545 1.920 20 10 FDCDHN CCCN(CC(=O)NCCCN(C)S(C)(=O)=O)Cc1ccccc1O ZINC000727830560 911342477 /nfs/dbraw/zinc/34/24/77/911342477.db2.gz BWEJILMEAOWFLV-UHFFFAOYSA-N 0 3 371.503 1.002 20 10 FDCDHN COC1CN(Cc2c(O)ccc3ccc(O)c(CN4CC(OC)C4)c32)C1 ZINC000738225105 925139760 /nfs/dbraw/zinc/13/97/60/925139760.db2.gz JYSZRXWQQPNUTD-UHFFFAOYSA-N 0 3 358.438 1.912 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000787668883 932363107 /nfs/dbraw/zinc/36/31/07/932363107.db2.gz HXXKRTRTABOTCD-HNNXBMFYSA-N 0 3 360.502 1.525 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000807101447 940250003 /nfs/dbraw/zinc/25/00/03/940250003.db2.gz YMDTWTSXUVBHAH-GOSISDBHSA-N 0 3 374.529 1.914 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000817706411 942900261 /nfs/dbraw/zinc/90/02/61/942900261.db2.gz OYIUXRFIWZVFED-SFHVURJKSA-N 0 3 360.502 1.702 20 10 FDCDHN CCN1CCN(c2ccc(CNC[C@@H](C)S(C)(=O)=O)cc2F)CC1 ZINC000819033075 943409701 /nfs/dbraw/zinc/40/97/01/943409701.db2.gz LYPZRLZKLGYRSB-CQSZACIVSA-N 0 3 357.495 1.490 20 10 FDCDHN CN(C)S(=O)(=O)c1cccc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000824737507 946697356 /nfs/dbraw/zinc/69/73/56/946697356.db2.gz BMCDWSUYKOSNBY-UHFFFAOYSA-N 0 3 364.423 1.661 20 10 FDCDHN COc1cc(N2CCN(CC[C@@H]3CCNC3=O)CC2)cc(OC)c1OC ZINC000846855782 951652655 /nfs/dbraw/zinc/65/26/55/951652655.db2.gz LASJPOLLDACZJW-AWEZNQCLSA-N 0 3 363.458 1.361 20 10 FDCDHN CCN1CCN([C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774959537 964240938 /nfs/dbraw/zinc/24/09/38/964240938.db2.gz DMQCNUGCLICYAJ-ZDUSSCGKSA-N 0 3 352.435 1.425 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC2CCC3(CC2)OCCO3)c1 ZINC000775374773 967748982 /nfs/dbraw/zinc/74/89/82/967748982.db2.gz FJMJAZVNFGXBOU-ZDUSSCGKSA-N 0 3 364.442 1.853 20 10 FDCDHN CCS(=O)(=O)C[C@@H](C)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000775381711 967848408 /nfs/dbraw/zinc/84/84/08/967848408.db2.gz MESMTTWAOBUORO-MRXNPFEDSA-N 0 3 369.531 1.230 20 10 FDCDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnccc1N ZINC000854220956 968696545 /nfs/dbraw/zinc/69/65/45/968696545.db2.gz CVLMWWWQWFXELB-AWEZNQCLSA-N 0 3 360.483 1.580 20 10 FDCDHN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](N4CC=CC4)C3)C2)cc1 ZINC000854300548 968748187 /nfs/dbraw/zinc/74/81/87/968748187.db2.gz VLZLNFRRCNDXJS-SJLPKXTDSA-N 0 3 356.470 1.930 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCN2CC[C@@H](O)C2)cc1 ZINC000863316555 972793037 /nfs/dbraw/zinc/79/30/37/972793037.db2.gz QFIUQKLYNZXSQS-HXUWFJFHSA-N 0 3 369.465 1.632 20 10 FDCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C)cc1[O-] ZINC000794804973 973966388 /nfs/dbraw/zinc/96/63/88/973966388.db2.gz WMYSUQCDUKPNOV-OAHLLOKOSA-N 0 3 353.444 1.849 20 10 FDCDHN C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000847298105 975432437 /nfs/dbraw/zinc/43/24/37/975432437.db2.gz JRRDRABAAIXRNO-ZYSHUDEJSA-N 0 3 374.485 1.045 20 10 FDCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000847366663 975537857 /nfs/dbraw/zinc/53/78/57/975537857.db2.gz LBJWZLLEFWVEOA-WBVHZDCISA-N 0 3 358.486 1.346 20 10 FDCDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690712 976643460 /nfs/dbraw/zinc/64/34/60/976643460.db2.gz KVXGAQPVQSTSRR-GFCCVEGCSA-N 0 3 367.345 1.922 20 10 FDCDHN COc1ccc(N2CCN(C(=O)NC[C@H]3CCCN3C)CC2)c(OC)c1 ZINC000868362029 977535510 /nfs/dbraw/zinc/53/55/10/977535510.db2.gz MPKCRRLCVVRHJF-OAHLLOKOSA-N 0 3 362.474 1.630 20 10 FDCDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849485898 977679427 /nfs/dbraw/zinc/67/94/27/977679427.db2.gz IRFNLAVKQWUYBL-RTBURBONSA-N 0 3 355.486 1.838 20 10 FDCDHN CN(C)c1cc(F)c(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1F ZINC000858244349 981938922 /nfs/dbraw/zinc/93/89/22/981938922.db2.gz VOXJDDHLWYKABD-CYBMUJFWSA-N 0 3 373.411 1.837 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000862239232 984275542 /nfs/dbraw/zinc/27/55/42/984275542.db2.gz ZTIHEGJJOXNBBA-UHFFFAOYSA-N 0 3 366.456 1.771 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1[O-] ZINC000862482809 984399072 /nfs/dbraw/zinc/39/90/72/984399072.db2.gz YAMVKNDGULLSME-CYBMUJFWSA-N 0 3 374.832 1.860 20 10 FDCDHN CN(CCO)CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888582221 987136937 /nfs/dbraw/zinc/13/69/37/987136937.db2.gz ZVYKWIUKSIULIO-UHFFFAOYSA-N 0 3 354.414 1.442 20 10 FDCDHN NC(=O)Cc1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000872660616 987923445 /nfs/dbraw/zinc/92/34/45/987923445.db2.gz SBPRMYBWGUYKLW-SFHVURJKSA-N 0 3 354.406 1.404 20 10 FDCDHN NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000872660616 987923447 /nfs/dbraw/zinc/92/34/47/987923447.db2.gz SBPRMYBWGUYKLW-SFHVURJKSA-N 0 3 354.406 1.404 20 10 FDCDHN NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000872660616 987923453 /nfs/dbraw/zinc/92/34/53/987923453.db2.gz SBPRMYBWGUYKLW-SFHVURJKSA-N 0 3 354.406 1.404 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000297719969 989657403 /nfs/dbraw/zinc/65/74/03/989657403.db2.gz DVWXKTWCKHXFTR-IBGZPJMESA-N 0 3 372.513 1.798 20 10 FDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372484984 991156336 /nfs/dbraw/zinc/15/63/36/991156336.db2.gz OVNIMKUWCARHND-INIZCTEOSA-N 0 3 359.518 1.504 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000875250621 991194309 /nfs/dbraw/zinc/19/43/09/991194309.db2.gz DOWIUEPMDKPDNC-LJQANCHMSA-N 0 3 372.513 1.810 20 10 FDCDHN CCOC(=O)[C@]1(C)CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000877703961 993456227 /nfs/dbraw/zinc/45/62/27/993456227.db2.gz GWAJQIULYJFLQD-FQEVSTJZSA-N 0 3 361.486 1.592 20 10 FDCDHN CN(C)c1ccc(CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000877719772 993475011 /nfs/dbraw/zinc/47/50/11/993475011.db2.gz HPDIBUNHXJCGMN-BETUJISGSA-N 0 3 355.360 1.818 20 10 FDCDHN O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000924759375 994977310 /nfs/dbraw/zinc/97/73/10/994977310.db2.gz ILCMNYGXWNRQIK-LJQANCHMSA-N 0 3 373.497 1.280 20 10 FDCDHN CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000879653063 995137325 /nfs/dbraw/zinc/13/73/25/995137325.db2.gz LPDIZAGDYDUXHZ-IHRRRGAJSA-N 0 3 354.472 1.467 20 10 FDCDHN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000777558819 995523773 /nfs/dbraw/zinc/52/37/73/995523773.db2.gz UPTDHTWVPXLUQP-XLIONFOSSA-N 0 3 352.390 1.914 20 10 FDCDHN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000777558819 995523785 /nfs/dbraw/zinc/52/37/85/995523785.db2.gz UPTDHTWVPXLUQP-XLIONFOSSA-N 0 3 352.390 1.914 20 10 FDCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000777564724 995662796 /nfs/dbraw/zinc/66/27/96/995662796.db2.gz BWZSMWHXGMXQAP-RNCFNFMXSA-N 0 3 360.332 1.318 20 10 FDCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000777564724 995662805 /nfs/dbraw/zinc/66/28/05/995662805.db2.gz BWZSMWHXGMXQAP-RNCFNFMXSA-N 0 3 360.332 1.318 20 10 FDCDHN Cc1ccc([C@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c(O)c1 ZINC000926962509 996374437 /nfs/dbraw/zinc/37/44/37/996374437.db2.gz AYCQKANZTPBCAO-HNNXBMFYSA-N 0 3 355.438 1.784 20 10 FDCDHN CC[C@@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000926964361 996376541 /nfs/dbraw/zinc/37/65/41/996376541.db2.gz JWJFQMJVCONKFF-QGZVFWFLSA-N 0 3 355.438 1.866 20 10 FDCDHN CC[C@@H](NCC(=O)NCC(=O)NCc1ccccc1)c1ccccc1O ZINC000926964361 996376546 /nfs/dbraw/zinc/37/65/46/996376546.db2.gz JWJFQMJVCONKFF-QGZVFWFLSA-N 0 3 355.438 1.866 20 10 FDCDHN C[C@@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1O ZINC000926964751 996376560 /nfs/dbraw/zinc/37/65/60/996376560.db2.gz NKAGIBFGTZMMBP-OAHLLOKOSA-N 0 3 355.438 1.818 20 10 FDCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC000283663644 999760183 /nfs/dbraw/zinc/76/01/83/999760183.db2.gz YKFBLGHPDCJALK-CVEARBPZSA-N 0 3 360.502 1.605 20 10 FDCDHN Cc1cc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000929464017 1002082430 /nfs/dbraw/zinc/08/24/30/1002082430.db2.gz IYZBELLMCUUQBL-KRWDZBQOSA-N 0 3 373.457 1.084 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000271278190 674330988 /nfs/dbraw/zinc/33/09/88/674330988.db2.gz NPNWLPFLIFFGOZ-CQSZACIVSA-N 0 3 367.471 1.464 20 10 FDCDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)N(C)C ZINC000106908804 525820372 /nfs/dbraw/zinc/82/03/72/525820372.db2.gz ZRSHYGWTQPROFE-GOSISDBHSA-N 0 3 351.466 1.989 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCSCC2)N(C)C)cc1 ZINC000934313513 782167965 /nfs/dbraw/zinc/16/79/65/782167965.db2.gz LGGAAJDHNABGJY-INIZCTEOSA-N 0 3 364.515 1.047 20 10 FDCDHN CCN1CCN(c2ccc(CN[C@H](C)CS(C)(=O)=O)cc2F)CC1 ZINC000182885145 535880397 /nfs/dbraw/zinc/88/03/97/535880397.db2.gz MRALDFCVTASIKP-CQSZACIVSA-N 0 3 357.495 1.490 20 10 FDCDHN COC[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000183463151 535986608 /nfs/dbraw/zinc/98/66/08/535986608.db2.gz QPMORSQQYPTNPE-KRWDZBQOSA-N 0 3 365.449 1.293 20 10 FDCDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000285794159 537289165 /nfs/dbraw/zinc/28/91/65/537289165.db2.gz UXQICMCOLOMGIG-UKRRQHHQSA-N 0 3 364.465 1.449 20 10 FDCDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000285794157 537289686 /nfs/dbraw/zinc/28/96/86/537289686.db2.gz UXQICMCOLOMGIG-DZGCQCFKSA-N 0 3 364.465 1.449 20 10 FDCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000285960843 537384297 /nfs/dbraw/zinc/38/42/97/537384297.db2.gz GQRYERSHOPCVFG-HNNXBMFYSA-N 0 3 357.458 1.251 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000364810013 537399027 /nfs/dbraw/zinc/39/90/27/537399027.db2.gz YNUCJOBNTOBMFS-QUCCMNQESA-N 0 3 359.470 1.501 20 10 FDCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)N(C)C1CC1 ZINC000287958586 537449207 /nfs/dbraw/zinc/44/92/07/537449207.db2.gz QVDOZCGCPDRJCA-HNNXBMFYSA-N 0 3 356.470 1.278 20 10 FDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000285584758 537733492 /nfs/dbraw/zinc/73/34/92/537733492.db2.gz UGTSIZNPRCTQEK-WCQYABFASA-N 0 3 356.444 1.319 20 10 FDCDHN CCOc1cccc(CN2CCN(C[C@@H]3CN(CC)CCO3)CC2)c1O ZINC000371378637 537828884 /nfs/dbraw/zinc/82/88/84/537828884.db2.gz JSAICGIFAOKGAD-SFHVURJKSA-N 0 3 363.502 1.629 20 10 FDCDHN Cc1ccc(O)c(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000368016123 537971544 /nfs/dbraw/zinc/97/15/44/537971544.db2.gz BKRRIDMLGQOXNQ-INIZCTEOSA-N 0 3 354.472 1.327 20 10 FDCDHN CN1CCN(C)[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000277491973 674954219 /nfs/dbraw/zinc/95/42/19/674954219.db2.gz QMYQBTQDDWFKSI-GFCCVEGCSA-N 0 3 371.279 1.200 20 10 FDCDHN Cc1ccc(O)c(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000128972049 671782437 /nfs/dbraw/zinc/78/24/37/671782437.db2.gz MWLBXRMHJIRWJK-UHFFFAOYSA-N 0 3 361.467 1.670 20 10 FDCDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000180527576 672179972 /nfs/dbraw/zinc/17/99/72/672179972.db2.gz GLRYKBWZFKVCHK-UHFFFAOYSA-N 0 3 369.374 1.508 20 10 FDCDHN CCN(CCO)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000187143867 672279970 /nfs/dbraw/zinc/27/99/70/672279970.db2.gz DITKHGJWHARGNK-UHFFFAOYSA-N 0 3 366.531 1.353 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000246450828 672514733 /nfs/dbraw/zinc/51/47/33/672514733.db2.gz DXBZLDUYBLJQSJ-ZWKOTPCHSA-N 0 3 350.459 1.066 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000246450828 672514736 /nfs/dbraw/zinc/51/47/36/672514736.db2.gz DXBZLDUYBLJQSJ-ZWKOTPCHSA-N 0 3 350.459 1.066 20 10 FDCDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267371072 673296870 /nfs/dbraw/zinc/29/68/70/673296870.db2.gz STOBJOMRLSYTSG-DGCLKSJQSA-N 0 3 355.460 1.366 20 10 FDCDHN COCCNCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370781634 677613961 /nfs/dbraw/zinc/61/39/61/677613961.db2.gz PTUWHJBGQXZZMR-UHFFFAOYSA-N 0 3 357.401 1.609 20 10 FDCDHN CCCNC(=O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892224461 782350335 /nfs/dbraw/zinc/35/03/35/782350335.db2.gz DTYNGNVAOZCWBT-KRWDZBQOSA-N 0 3 363.506 1.571 20 10 FDCDHN COCCn1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891245244 774078573 /nfs/dbraw/zinc/07/85/73/774078573.db2.gz BBYUVGZZJASFNH-LJQANCHMSA-N 0 3 373.501 1.937 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn3c2OCCC3)N(C)C)cc1 ZINC000891246260 774082281 /nfs/dbraw/zinc/08/22/81/774082281.db2.gz BNUZWTSICOBSKZ-QGZVFWFLSA-N 0 3 357.458 1.764 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C(N)=O)cc2)N(C)C)cc1 ZINC000891247169 774091932 /nfs/dbraw/zinc/09/19/32/774091932.db2.gz GHQQKAAMRHIOLD-LJQANCHMSA-N 0 3 368.481 1.813 20 10 FDCDHN Cc1nc(N)nc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249557 774109234 /nfs/dbraw/zinc/10/92/34/774109234.db2.gz UORFLAJDWYOYPD-INIZCTEOSA-N 0 3 356.474 1.774 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(N)=O)c2)N(C)C)cc1 ZINC000891252162 774125919 /nfs/dbraw/zinc/12/59/19/774125919.db2.gz HNVXAGGZJZWFMX-GOSISDBHSA-N 0 3 354.454 1.884 20 10 FDCDHN CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251186 774128486 /nfs/dbraw/zinc/12/84/86/774128486.db2.gz ARENKZGIHQMSDL-SJORKVTESA-N 0 3 363.506 1.699 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn3cccnc23)N(C)C)cc1 ZINC000891255130 774157924 /nfs/dbraw/zinc/15/79/24/774157924.db2.gz NADPAVXIUFAHSA-QGZVFWFLSA-N 0 3 352.442 1.828 20 10 FDCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377877597 792974101 /nfs/dbraw/zinc/97/41/01/792974101.db2.gz BZLXOGUIDXIVIE-HZPDHXFCSA-N 0 3 359.470 1.933 20 10 FDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3ccc(OC)c(OC)c3O)C2)nn1 ZINC000893595302 806921078 /nfs/dbraw/zinc/92/10/78/806921078.db2.gz VOMVACNWRPXCGM-GFCCVEGCSA-N 0 3 362.386 1.235 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(=O)NCC2CC2)N(C)C)cc1 ZINC000894057941 809886183 /nfs/dbraw/zinc/88/61/83/809886183.db2.gz LBORFNUKJARSAE-QGZVFWFLSA-N 0 3 361.490 1.181 20 10 FDCDHN COCCN1CCC(NC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000729049275 810939866 /nfs/dbraw/zinc/93/98/66/810939866.db2.gz PHBMTQIQLWXFBV-CYBMUJFWSA-N 0 3 351.447 1.872 20 10 FDCDHN CO[C@@H]1COC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895505302 822627125 /nfs/dbraw/zinc/62/71/25/822627125.db2.gz JKXZBOGVOCCCKS-BRWVUGGUSA-N 0 3 350.463 1.068 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCO[C@H]2CCOC2)N(C)C)cc1 ZINC000896734328 824840910 /nfs/dbraw/zinc/84/09/10/824840910.db2.gz XXWGAJOQQKVMPV-ZWKOTPCHSA-N 0 3 364.490 1.460 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCO[C@@H]2CCOC2)N(C)C)cc1 ZINC000896734326 824841017 /nfs/dbraw/zinc/84/10/17/824841017.db2.gz XXWGAJOQQKVMPV-QZTJIDSGSA-N 0 3 364.490 1.460 20 10 FDCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1[O-] ZINC000897042766 826827295 /nfs/dbraw/zinc/82/72/95/826827295.db2.gz QFKYXABTNFRYLR-ZDUSSCGKSA-N 0 3 354.834 1.517 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2nncn2C)N(C)C)cc1 ZINC000899101498 845773484 /nfs/dbraw/zinc/77/34/84/845773484.db2.gz IMNBMCULYKBMCP-MRXNPFEDSA-N 0 3 359.478 1.325 20 10 FDCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NCCF ZINC000899103559 845776376 /nfs/dbraw/zinc/77/63/76/845776376.db2.gz MUUBHCDOKQSYAA-XJKSGUPXSA-N 0 3 367.469 1.129 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)CC(F)F)N(C)C)cc1 ZINC000899104946 845778255 /nfs/dbraw/zinc/77/82/55/845778255.db2.gz SWWLDCAQTAUTQD-UKRRQHHQSA-N 0 3 358.433 1.671 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCc3ncncc3C2)N(C)C)cc1 ZINC000899098505 845791565 /nfs/dbraw/zinc/79/15/65/845791565.db2.gz PBZKFPQKYNBRIZ-IBGZPJMESA-N 0 3 368.485 1.913 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](O)C(F)(F)C2)N(C)C)cc1 ZINC000899099145 845793583 /nfs/dbraw/zinc/79/35/83/845793583.db2.gz WBGYVCLEHJTZAQ-HOTGVXAUSA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)c2ccco2)N(C)C)cc1 ZINC000899100822 845797537 /nfs/dbraw/zinc/79/75/37/845797537.db2.gz FAMNCOFFGRPTTR-IAGOWNOFSA-N 0 3 360.458 1.981 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cnccn2)N(C)C)cc1 ZINC000899100474 845797768 /nfs/dbraw/zinc/79/77/68/845797768.db2.gz AADRYVQVWSZZDJ-GOSISDBHSA-N 0 3 356.474 1.987 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC[C@@H](O)C3(O)CCC3)cc2F)C[C@@H](C)O1 ZINC000905054570 851614584 /nfs/dbraw/zinc/61/45/84/851614584.db2.gz JPNGIDSIPBXSRC-HBUWYVDXSA-N 0 3 352.450 1.805 20 10 FDCDHN COc1ccc(N2CC[C@H](CNC(=O)c3ccnn3CCN(C)C)C2)cc1 ZINC000911277454 858397572 /nfs/dbraw/zinc/39/75/72/858397572.db2.gz VDTVOVMLAILMGV-MRXNPFEDSA-N 0 3 371.485 1.710 20 10 FDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCN1C ZINC000914255771 872073001 /nfs/dbraw/zinc/07/30/01/872073001.db2.gz WLUGESGQYPKVSS-DNVCBOLYSA-N 0 3 360.502 1.787 20 10 FDCDHN CC(C)(CNCc1ccc(N2CCOCC2)c(F)c1)CS(C)(=O)=O ZINC000922737447 879114999 /nfs/dbraw/zinc/11/49/99/879114999.db2.gz LFYXNFYIRBIMST-UHFFFAOYSA-N 0 3 358.479 1.823 20 10 FDCDHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000764000340 901947187 /nfs/dbraw/zinc/94/71/87/901947187.db2.gz XJEULJSEKUAMKN-APWZRJJASA-N 0 3 358.486 1.090 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000787655250 932358905 /nfs/dbraw/zinc/35/89/05/932358905.db2.gz UQVKAAOJZRPTRE-UHFFFAOYSA-N 0 3 374.529 1.949 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000788952378 932886565 /nfs/dbraw/zinc/88/65/65/932886565.db2.gz XOOYZMZLWGEYTQ-GOSISDBHSA-N 0 3 360.502 1.750 20 10 FDCDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789763991 933168964 /nfs/dbraw/zinc/16/89/64/933168964.db2.gz SMLNSAXUUBSBKJ-MRXNPFEDSA-N 0 3 351.466 1.815 20 10 FDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000804416297 938435235 /nfs/dbraw/zinc/43/52/35/938435235.db2.gz NMFWKSLEYABRBW-CYBMUJFWSA-N 0 3 370.544 1.732 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C1=CCN(C)CC1 ZINC000806282643 939880846 /nfs/dbraw/zinc/88/08/46/939880846.db2.gz PDXRUZVUTPDZRO-GFCCVEGCSA-N 0 3 368.528 1.508 20 10 FDCDHN COCCN(C)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822961707 945336146 /nfs/dbraw/zinc/33/61/46/945336146.db2.gz MTBNHOVSYGQNPR-INIZCTEOSA-N 0 3 364.490 1.399 20 10 FDCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000817706003 942900675 /nfs/dbraw/zinc/90/06/75/942900675.db2.gz MYSXTSBIUFAUAA-LJQANCHMSA-N 0 3 372.513 1.844 20 10 FDCDHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000817862412 943050518 /nfs/dbraw/zinc/05/05/18/943050518.db2.gz XMPYTMJRPZSECQ-APWZRJJASA-N 0 3 374.529 1.709 20 10 FDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000817861251 943050620 /nfs/dbraw/zinc/05/06/20/943050620.db2.gz GXNZYIQKKBIPOW-QFBILLFUSA-N 0 3 374.529 1.661 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cc(C)ncn3)CC2)cc1 ZINC000819189268 943468881 /nfs/dbraw/zinc/46/88/81/943468881.db2.gz QYHYZUHNQHFZSH-LJQANCHMSA-N 0 3 371.485 1.066 20 10 FDCDHN COc1cc(CN(CCO)CCN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000824600865 946582983 /nfs/dbraw/zinc/58/29/83/946582983.db2.gz DNLUJJVUCQUIMK-UHFFFAOYSA-N 0 3 366.502 1.825 20 10 FDCDHN CN(CCN1CCCCC1)C(=O)C(=O)NCCCSc1nccs1 ZINC000846733377 951509424 /nfs/dbraw/zinc/50/94/24/951509424.db2.gz SIGIMQMMWMOPSZ-UHFFFAOYSA-N 0 3 370.544 1.686 20 10 FDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)CC(C)(C)S(C)(=O)=O ZINC000775725611 971757920 /nfs/dbraw/zinc/75/79/20/971757920.db2.gz JLRUUEWAZCDCAM-UHFFFAOYSA-N 0 3 353.532 1.693 20 10 FDCDHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001197003814 972036170 /nfs/dbraw/zinc/03/61/70/972036170.db2.gz JVYUBEUDNVZYCY-GFCCVEGCSA-N 0 3 363.439 1.637 20 10 FDCDHN C[C@@H](N[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000774479585 962233389 /nfs/dbraw/zinc/23/33/89/962233389.db2.gz PUCDBOKWLFDALH-KEYYUXOJSA-N 0 3 367.515 1.437 20 10 FDCDHN C[C@@H](N[C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000775258925 967019648 /nfs/dbraw/zinc/01/96/48/967019648.db2.gz CDBOCPQBJHGXRO-GJYPPUQNSA-N 0 3 361.486 1.858 20 10 FDCDHN C[C@H](NCC(=O)N1CCOC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775260925 967027888 /nfs/dbraw/zinc/02/78/88/967027888.db2.gz RKUHPRAIKOFHJO-JXFKEZNVSA-N 0 3 373.497 1.811 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1[C@@H](C)CO)cc2=O ZINC000852427109 967292599 /nfs/dbraw/zinc/29/25/99/967292599.db2.gz ZUZIBKIIZDTTFR-WFASDCNBSA-N 0 3 362.430 1.595 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@H]3C[C@@H](O)C34CCC4)CC2)cc1 ZINC000852586371 967448215 /nfs/dbraw/zinc/44/82/15/967448215.db2.gz QLJYUVMMAHCBST-ZWKOTPCHSA-N 0 3 359.470 1.237 20 10 FDCDHN CCOC(=O)[C@H]1CCCCN1C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775374471 967754391 /nfs/dbraw/zinc/75/43/91/967754391.db2.gz CAQDTADCWQSWAJ-XJKSGUPXSA-N 0 3 364.442 1.996 20 10 FDCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2)C1 ZINC000775376163 967756212 /nfs/dbraw/zinc/75/62/12/967756212.db2.gz OVZRCMTZWXVRMU-HOTGVXAUSA-N 0 3 365.499 1.055 20 10 FDCDHN Cc1cc(N2CC[C@H](NCc3ccc(N4CCOCC4)cc3)C2=O)n(C)n1 ZINC001200829756 974911980 /nfs/dbraw/zinc/91/19/80/974911980.db2.gz BKYQDCFHRZNZLL-SFHVURJKSA-N 0 3 369.469 1.460 20 10 FDCDHN CCc1cccc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000848900088 977229253 /nfs/dbraw/zinc/22/92/53/977229253.db2.gz AWOFRGCMTFGYRX-QGZVFWFLSA-N 0 3 368.499 1.581 20 10 FDCDHN COc1ccc(O)c(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849562280 977752627 /nfs/dbraw/zinc/75/26/27/977752627.db2.gz DRFMEBBJVPPVBE-DLBZAZTESA-N 0 3 358.442 1.486 20 10 FDCDHN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)cc1 ZINC000852062921 979317298 /nfs/dbraw/zinc/31/72/98/979317298.db2.gz MGOHWDWDCHIBCU-KVSKMBFKSA-N 0 3 374.485 1.436 20 10 FDCDHN C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N1CCSCC1 ZINC000881852200 980215099 /nfs/dbraw/zinc/21/50/99/980215099.db2.gz IMXIYQZQKZUEAL-INIZCTEOSA-N 0 3 362.543 1.492 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000858606212 982143700 /nfs/dbraw/zinc/14/37/00/982143700.db2.gz MIGSAQHLNPWIER-PWSUYJOCSA-N 0 3 359.264 1.881 20 10 FDCDHN COCC[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000884194828 982971086 /nfs/dbraw/zinc/97/10/86/982971086.db2.gz SLFDPYFZSFOMIB-IOASZLSFSA-N 0 3 353.438 1.419 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)cc1 ZINC000861485358 983741286 /nfs/dbraw/zinc/74/12/86/983741286.db2.gz KOGRMIJAFDDKTR-UHFFFAOYSA-N 0 3 368.437 1.490 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365511887 990260126 /nfs/dbraw/zinc/26/01/26/990260126.db2.gz UYKXFDWBYDALBY-RBUKOAKNSA-N 0 3 356.470 1.725 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H](CO)C3)CC2)cc1 ZINC000374047649 992572798 /nfs/dbraw/zinc/57/27/98/992572798.db2.gz CVAVZZBTODEFKI-QGZVFWFLSA-N 0 3 361.486 1.438 20 10 FDCDHN O=C1NCCN1[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876625302 992752407 /nfs/dbraw/zinc/75/24/07/992752407.db2.gz UBZRPLUGYLBFIK-SFHVURJKSA-N 0 3 358.486 1.637 20 10 FDCDHN COC[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCN1 ZINC000876975474 992992339 /nfs/dbraw/zinc/99/23/39/992992339.db2.gz IGRXNHULVMYLCF-HXUWFJFHSA-N 0 3 361.486 1.423 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2c(C)cccc2O)C1 ZINC000877475772 993297930 /nfs/dbraw/zinc/29/79/30/993297930.db2.gz WQEFEEDXNFLKAK-HNNXBMFYSA-N 0 3 356.488 1.573 20 10 FDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000879648568 995135535 /nfs/dbraw/zinc/13/55/35/995135535.db2.gz UJJDKZUJGFPTJH-CABCVRRESA-N 0 3 355.442 1.570 20 10 FDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000879651406 995137636 /nfs/dbraw/zinc/13/76/36/995137636.db2.gz UJJDKZUJGFPTJH-LSDHHAIUSA-N 0 3 355.442 1.570 20 10 FDCDHN COC(=O)Cn1cc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)nn1 ZINC000269671841 999471149 /nfs/dbraw/zinc/47/11/49/999471149.db2.gz XISIXTHUNSHKCP-KRWDZBQOSA-N 0 3 374.441 1.380 20 10 FDCDHN COC(=O)Cn1cc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)nn1 ZINC000269671841 999471152 /nfs/dbraw/zinc/47/11/52/999471152.db2.gz XISIXTHUNSHKCP-KRWDZBQOSA-N 0 3 374.441 1.380 20 10 FDCDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000284296606 999800552 /nfs/dbraw/zinc/80/05/52/999800552.db2.gz OHVAKSBBWYGHCH-KRWDZBQOSA-N 0 3 370.497 1.527 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cccn2C)N(C)C)cc1 ZINC000929471621 1002093968 /nfs/dbraw/zinc/09/39/68/1002093968.db2.gz VQUIJWRFSQTLLB-SFHVURJKSA-N 0 3 371.485 1.126 20 10 FDCDHN CN(C)CCN1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC1=O ZINC000156316826 1006797564 /nfs/dbraw/zinc/79/75/64/1006797564.db2.gz IJGYPSWJHTVYOL-HNNXBMFYSA-N 0 3 359.470 1.297 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000359960316 210201430 /nfs/dbraw/zinc/20/14/30/210201430.db2.gz ZKWMVIRGTMPDLW-PIGZYNQJSA-N 0 3 367.833 1.864 20 10 FDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112506139 524496177 /nfs/dbraw/zinc/49/61/77/524496177.db2.gz MBUOBGDRXYECFD-KRWDZBQOSA-N 0 3 369.469 1.777 20 10 FDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000176241651 525070428 /nfs/dbraw/zinc/07/04/28/525070428.db2.gz DWOAZYFQRWETJR-UHFFFAOYSA-N 0 3 352.454 1.490 20 10 FDCDHN CC(C)[C@H](CCO)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000162087393 525210817 /nfs/dbraw/zinc/21/08/17/525210817.db2.gz PXZUCYDBOANAGX-KRWDZBQOSA-N 0 3 367.465 1.275 20 10 FDCDHN CC(=O)c1cc(F)cc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1O ZINC000162633084 525289360 /nfs/dbraw/zinc/28/93/60/525289360.db2.gz GSEDNNPCDBMQQQ-KRWDZBQOSA-N 0 3 363.433 1.472 20 10 FDCDHN C[C@@H](NCCC(=O)N1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000178666799 525461404 /nfs/dbraw/zinc/46/14/04/525461404.db2.gz BMIZOPQXMMFNDY-QGZVFWFLSA-N 0 3 360.502 1.338 20 10 FDCDHN CCN1CCN([C@@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)CC1 ZINC000118834837 525556308 /nfs/dbraw/zinc/55/63/08/525556308.db2.gz WUDVHRQXXIBSJH-HXUWFJFHSA-N 0 3 373.545 1.081 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1[O-] ZINC000180371946 525698540 /nfs/dbraw/zinc/69/85/40/525698540.db2.gz UZCPQEOZNBRZLC-HNNXBMFYSA-N 0 3 373.291 1.588 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1[O-] ZINC000180371946 525698549 /nfs/dbraw/zinc/69/85/49/525698549.db2.gz UZCPQEOZNBRZLC-HNNXBMFYSA-N 0 3 373.291 1.588 20 10 FDCDHN CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000134267034 526142958 /nfs/dbraw/zinc/14/29/58/526142958.db2.gz JAWLPHASPCBPAF-NVXWUHKLSA-N 0 3 367.877 1.457 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000266613470 536910639 /nfs/dbraw/zinc/91/06/39/536910639.db2.gz PXQHSQOGHNJEHA-ZDUSSCGKSA-N 0 3 367.471 1.322 20 10 FDCDHN O=C(c1[nH]nc2c1CNCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000188886786 536965110 /nfs/dbraw/zinc/96/51/10/536965110.db2.gz VCICYQBPAKZPGS-AWEZNQCLSA-N 0 3 356.426 1.582 20 10 FDCDHN CN(C)CCNC(=O)c1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000263227071 536996056 /nfs/dbraw/zinc/99/60/56/536996056.db2.gz AYGRQGFMORLKFX-UHFFFAOYSA-N 0 3 354.454 1.419 20 10 FDCDHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC[C@H]21 ZINC000269089764 537018744 /nfs/dbraw/zinc/01/87/44/537018744.db2.gz YUIIVXNDQPFTQJ-SWLSCSKDSA-N 0 3 367.471 1.320 20 10 FDCDHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC[C@H]21 ZINC000269089764 537018748 /nfs/dbraw/zinc/01/87/48/537018748.db2.gz YUIIVXNDQPFTQJ-SWLSCSKDSA-N 0 3 367.471 1.320 20 10 FDCDHN COc1c([O-])c(C[NH2+]CCCN2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278441592 537328530 /nfs/dbraw/zinc/32/85/30/537328530.db2.gz WBTPMUIOYCPDBB-CYBMUJFWSA-N 0 3 353.419 1.900 20 10 FDCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000284225206 537403737 /nfs/dbraw/zinc/40/37/37/537403737.db2.gz JZAQCQKYDFAALI-MRXNPFEDSA-N 0 3 360.502 1.559 20 10 FDCDHN CC1(C)OCC[C@H]1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295309555 537712002 /nfs/dbraw/zinc/71/20/02/537712002.db2.gz VQNPXCXFFLLQHZ-QGZVFWFLSA-N 0 3 365.449 1.436 20 10 FDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000371833924 537832894 /nfs/dbraw/zinc/83/28/94/537832894.db2.gz FPLIRZOYIMPWED-KXBFYZLASA-N 0 3 350.459 1.933 20 10 FDCDHN COc1ccc(O)c([C@H](C)N2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000368028679 537972869 /nfs/dbraw/zinc/97/28/69/537972869.db2.gz FMTZGGWKXWMNPL-BQFCYCMXSA-N 0 3 363.502 1.799 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000273489463 674542518 /nfs/dbraw/zinc/54/25/18/674542518.db2.gz OBLZLUPWRGUGCO-HIFRSBDPSA-N 0 3 372.487 1.540 20 10 FDCDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000278674363 675177639 /nfs/dbraw/zinc/17/76/39/675177639.db2.gz LTSXFGKXSPCDSK-HIFRSBDPSA-N 0 3 355.431 1.255 20 10 FDCDHN CCN(C)c1ccc([C@@H](C)NCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000162345884 672017592 /nfs/dbraw/zinc/01/75/92/672017592.db2.gz PSACDKZRTBWFJZ-CQSZACIVSA-N 0 3 366.487 1.901 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000373944422 678068964 /nfs/dbraw/zinc/06/89/64/678068964.db2.gz BOWHQIDESQTZEF-WCQYABFASA-N 0 3 353.444 1.120 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000373944422 678068966 /nfs/dbraw/zinc/06/89/66/678068966.db2.gz BOWHQIDESQTZEF-WCQYABFASA-N 0 3 353.444 1.120 20 10 FDCDHN COc1cc(O)c(CN2CCCN(CC(=O)N(C)C)CC2)cc1OC ZINC000378439972 678747170 /nfs/dbraw/zinc/74/71/70/678747170.db2.gz XRPNEZVXDZGVDN-UHFFFAOYSA-N 0 3 351.447 1.005 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529646334 694790784 /nfs/dbraw/zinc/79/07/84/694790784.db2.gz ZKFCSDCPVVHRJL-GOSISDBHSA-N 0 3 370.877 1.760 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\CN2CCOCC2)N(C)C)cc1 ZINC000891248363 774096146 /nfs/dbraw/zinc/09/61/46/774096146.db2.gz LTPABYCFQJUUAR-SFFCAUCYSA-N 0 3 360.502 1.360 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccoc2CC(N)=O)N(C)C)cc1 ZINC000891248439 774097186 /nfs/dbraw/zinc/09/71/86/774097186.db2.gz MPMNQTDVEMYCBI-INIZCTEOSA-N 0 3 358.442 1.406 20 10 FDCDHN CCOC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891247823 774098808 /nfs/dbraw/zinc/09/88/08/774098808.db2.gz KPWNNFXLESMWEN-INIZCTEOSA-N 0 3 374.441 1.950 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(O)CCSCC2)N(C)C)cc1 ZINC000891249496 774108454 /nfs/dbraw/zinc/10/84/54/774108454.db2.gz SZKPIQCPEOKRRI-MRXNPFEDSA-N 0 3 351.516 1.730 20 10 FDCDHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891255273 774168080 /nfs/dbraw/zinc/16/80/80/774168080.db2.gz OCDWFMRRNCSNFE-PKOBYXMFSA-N 0 3 360.502 1.730 20 10 FDCDHN COC(=O)c1c(CN[C@@H](C)CN2CCOCC2)c2cc(F)ccc2n1C ZINC000892580188 787438157 /nfs/dbraw/zinc/43/81/57/787438157.db2.gz FYCXKPGPCQNQHT-ZDUSSCGKSA-N 0 3 363.433 1.914 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](CO)CC3)CC2)cc1 ZINC000293096623 788211531 /nfs/dbraw/zinc/21/15/31/788211531.db2.gz KTIKGIVMFMCGET-KRWDZBQOSA-N 0 3 361.486 1.438 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](CO)CC3)CC2)cc1 ZINC000293096627 788211587 /nfs/dbraw/zinc/21/15/87/788211587.db2.gz KTIKGIVMFMCGET-QGZVFWFLSA-N 0 3 361.486 1.438 20 10 FDCDHN O=C(NCCCSc1nccs1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893646818 808586686 /nfs/dbraw/zinc/58/66/86/808586686.db2.gz WFPQPPCLJOTPKM-KGLIPLIRSA-N 0 3 370.544 1.866 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCn3ccnc3C2)N(C)C)cc1 ZINC000894310029 816195191 /nfs/dbraw/zinc/19/51/91/816195191.db2.gz RRYYQQFZCBWNQB-AEFFLSMTSA-N 0 3 370.501 1.866 20 10 FDCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ncnn1C ZINC000894381994 817961750 /nfs/dbraw/zinc/96/17/50/817961750.db2.gz XBEYRUSYKLLQJU-BBRMVZONSA-N 0 3 359.478 1.544 20 10 FDCDHN COC(=O)c1c(CNCCN2CCCOCC2)c2cc(F)ccc2n1C ZINC000894776663 818431042 /nfs/dbraw/zinc/43/10/42/818431042.db2.gz JDZQIGGTOADKOO-UHFFFAOYSA-N 0 3 363.433 1.916 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCc2cnn(C)n2)N(C)C)cc1 ZINC000895048500 819597505 /nfs/dbraw/zinc/59/75/05/819597505.db2.gz WDHPVCIAJKDBMJ-SFHVURJKSA-N 0 3 373.505 1.416 20 10 FDCDHN CNC(=O)C1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOCC1 ZINC000895883798 822783407 /nfs/dbraw/zinc/78/34/07/822783407.db2.gz ISNIGGFNXKEIEQ-UHFFFAOYSA-N 0 3 373.247 1.548 20 10 FDCDHN CNC(=O)C1(NCc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000895884855 822783739 /nfs/dbraw/zinc/78/37/39/822783739.db2.gz RVANAGZIEWKGLA-UHFFFAOYSA-N 0 3 351.422 1.047 20 10 FDCDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000729328642 834977900 /nfs/dbraw/zinc/97/79/00/834977900.db2.gz UTLLCCYSWSXYFJ-PKOBYXMFSA-N 0 3 372.513 1.879 20 10 FDCDHN O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C2)nc[n-]1 ZINC000898151706 840829957 /nfs/dbraw/zinc/82/99/57/840829957.db2.gz UETLFBFDOQFPCZ-INIZCTEOSA-N 0 3 369.469 1.512 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)c2ccnn2C)N(C)C)cc1 ZINC000899097101 845758726 /nfs/dbraw/zinc/75/87/26/845758726.db2.gz ZUXHWSRASWUMPX-ZWKOTPCHSA-N 0 3 374.489 1.122 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)[C@H]2CCCO2)N(C)C)cc1 ZINC000899097704 845760152 /nfs/dbraw/zinc/76/01/52/845760152.db2.gz FOTXJHNVXMRFFU-RCCFBDPRSA-N 0 3 364.490 1.194 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@]23CCOC3=O)N(C)C)cc1 ZINC000899101520 845773533 /nfs/dbraw/zinc/77/35/33/845773533.db2.gz ISFHETRAJYNOHO-PXNSSMCTSA-N 0 3 374.485 1.846 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)c2cnn(C)c2)N(C)C)cc1 ZINC000899101982 845774633 /nfs/dbraw/zinc/77/46/33/845774633.db2.gz JOMWFRBOIVGYCX-MSOLQXFVSA-N 0 3 374.489 1.122 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(F)(F)C[C@H]2CO)N(C)C)cc1 ZINC000899102068 845774645 /nfs/dbraw/zinc/77/46/45/845774645.db2.gz JVUQHTRRKFKSLP-JKSUJKDBSA-N 0 3 370.444 1.767 20 10 FDCDHN COc1ccc(N(C)CCN(C)C(=O)c2ccnn2CCN(C)C)cc1 ZINC000911892988 859098215 /nfs/dbraw/zinc/09/82/15/859098215.db2.gz OFQQMOCJMSCBMR-UHFFFAOYSA-N 0 3 359.474 1.662 20 10 FDCDHN COCCN(C)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000171204962 865148259 /nfs/dbraw/zinc/14/82/59/865148259.db2.gz HCWPFUBSTFCHSZ-UHFFFAOYSA-N 0 3 364.490 1.541 20 10 FDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCN1C ZINC000914255770 872073467 /nfs/dbraw/zinc/07/34/67/872073467.db2.gz WLUGESGQYPKVSS-BEFAXECRSA-N 0 3 360.502 1.787 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000670984696 892766655 /nfs/dbraw/zinc/76/66/55/892766655.db2.gz VHXYLAUAKULHAI-HNNXBMFYSA-N 0 3 370.497 1.951 20 10 FDCDHN Cc1nc(CN[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C)n[nH]1 ZINC001082952517 911125861 /nfs/dbraw/zinc/12/58/61/911125861.db2.gz ARPSQZXMQRXEHO-QMTHXVAHSA-N 0 3 370.417 1.526 20 10 FDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000787750827 932386456 /nfs/dbraw/zinc/38/64/56/932386456.db2.gz IJERYIIEPTWDNP-HOTGVXAUSA-N 0 3 360.502 1.920 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000807098111 940249180 /nfs/dbraw/zinc/24/91/80/940249180.db2.gz TWQCRPFSECUXHO-GOSISDBHSA-N 0 3 358.486 1.374 20 10 FDCDHN CS(=O)(=O)NCC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000809694078 940879548 /nfs/dbraw/zinc/87/95/48/940879548.db2.gz IZJLFNMXOMHMGK-UHFFFAOYSA-N 0 3 367.515 1.284 20 10 FDCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000817834164 942996387 /nfs/dbraw/zinc/99/63/87/942996387.db2.gz YMXSWAJWJYIEMU-CRAIPNDOSA-N 0 3 360.502 1.871 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000114176687 971100353 /nfs/dbraw/zinc/10/03/53/971100353.db2.gz AQFUARXQGIEGEJ-KRWDZBQOSA-N 0 3 360.502 1.511 20 10 FDCDHN CN1CCN(c2ccc(CN3CCCC[C@@H]3CS(C)(=O)=O)cc2)CC1 ZINC000824914147 946855400 /nfs/dbraw/zinc/85/54/00/946855400.db2.gz NBJGEQWSFIOMNZ-LJQANCHMSA-N 0 3 365.543 1.838 20 10 FDCDHN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144514381 949802274 /nfs/dbraw/zinc/80/22/74/949802274.db2.gz AMSLHJNZIQMQPZ-CHWSQXEVSA-N 0 3 354.403 1.263 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCCC[C@@H]3CO)CC2)cc1 ZINC000847013795 951768966 /nfs/dbraw/zinc/76/89/66/951768966.db2.gz JSWYUXUADMCTGJ-GOSISDBHSA-N 0 3 361.486 1.581 20 10 FDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000774479586 962233751 /nfs/dbraw/zinc/23/37/51/962233751.db2.gz PUCDBOKWLFDALH-ZQIUZPCESA-N 0 3 367.515 1.437 20 10 FDCDHN C[C@@H](NCC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775260929 967027559 /nfs/dbraw/zinc/02/75/59/967027559.db2.gz RKUHPRAIKOFHJO-OXQOHEQNSA-N 0 3 373.497 1.811 20 10 FDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775373027 967742555 /nfs/dbraw/zinc/74/25/55/967742555.db2.gz LHUXLQLYLMOOBR-DTWKUNHWSA-N 0 3 363.336 1.828 20 10 FDCDHN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000775834049 972975987 /nfs/dbraw/zinc/97/59/87/972975987.db2.gz OQFNFAGMDAOSMJ-IPYPFGDCSA-N 0 3 353.488 1.095 20 10 FDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000775834051 972976269 /nfs/dbraw/zinc/97/62/69/972976269.db2.gz OQFNFAGMDAOSMJ-KCQAQPDRSA-N 0 3 353.488 1.095 20 10 FDCDHN CCOC(=O)c1cc(CNCc2ccc(N3CCN(C)CC3)cc2)on1 ZINC000865763377 974469002 /nfs/dbraw/zinc/46/90/02/974469002.db2.gz HCKNZJZWPLQQFV-UHFFFAOYSA-N 0 3 358.442 1.893 20 10 FDCDHN CNS(=O)(=O)CCN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848546540 976897921 /nfs/dbraw/zinc/89/79/21/976897921.db2.gz ARSNODOFEDYQGB-QMMMGPOBSA-N 0 3 367.265 1.363 20 10 FDCDHN CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848546540 976897934 /nfs/dbraw/zinc/89/79/34/976897934.db2.gz ARSNODOFEDYQGB-QMMMGPOBSA-N 0 3 367.265 1.363 20 10 FDCDHN COc1ccc(O)c(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1 ZINC000849562283 977752914 /nfs/dbraw/zinc/75/29/14/977752914.db2.gz DRFMEBBJVPPVBE-SJORKVTESA-N 0 3 358.442 1.486 20 10 FDCDHN CCNCc1ccn(Cc2cn(Cc3cc(F)cc(C(C)=O)c3O)nn2)n1 ZINC000880995980 979567397 /nfs/dbraw/zinc/56/73/97/979567397.db2.gz KHPQBNHXOKDUDJ-UHFFFAOYSA-N 0 3 372.404 1.728 20 10 FDCDHN CCOc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000883372403 982101974 /nfs/dbraw/zinc/10/19/74/982101974.db2.gz ZJLOLNVHFKRVSS-SFHVURJKSA-N 0 3 363.502 1.677 20 10 FDCDHN COc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCCNC3)c1O ZINC000861491422 983746088 /nfs/dbraw/zinc/74/60/88/983746088.db2.gz PRERTUYXWILBAM-UHFFFAOYSA-N 0 3 371.393 1.138 20 10 FDCDHN COC(=O)Cn1cc(CCN2CC=C(c3ccc(N(C)C)cc3)C2)nn1 ZINC000361104329 988274327 /nfs/dbraw/zinc/27/43/27/988274327.db2.gz JTZBSIHCBSTZCA-UHFFFAOYSA-N 0 3 355.442 1.459 20 10 FDCDHN COc1ccc(O)c(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000367701174 988961122 /nfs/dbraw/zinc/96/11/22/988961122.db2.gz FNKPMEPZNBOHNW-UHFFFAOYSA-N 0 3 357.410 1.938 20 10 FDCDHN CCN1CCO[C@H](CN2CCN([C@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631094 989686579 /nfs/dbraw/zinc/68/65/79/989686579.db2.gz ONOKGCYKIDEURV-AEFFLSMTSA-N 0 3 363.502 1.800 20 10 FDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000372029721 990900419 /nfs/dbraw/zinc/90/04/19/990900419.db2.gz FIZLDSLVLOCYIV-LBPRGKRZSA-N 0 3 360.370 1.336 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)c([O-])c1 ZINC000373868510 992493164 /nfs/dbraw/zinc/49/31/64/992493164.db2.gz ITAJXEWBPBTGIF-AWEZNQCLSA-N 0 3 359.430 1.709 20 10 FDCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)c([O-])c1 ZINC000373868510 992493178 /nfs/dbraw/zinc/49/31/78/992493178.db2.gz ITAJXEWBPBTGIF-AWEZNQCLSA-N 0 3 359.430 1.709 20 10 FDCDHN O=C1NCCN1[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876625301 992752583 /nfs/dbraw/zinc/75/25/83/992752583.db2.gz UBZRPLUGYLBFIK-GOSISDBHSA-N 0 3 358.486 1.637 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3nnc[nH]3)cc2F)CC1 ZINC000374744678 992934302 /nfs/dbraw/zinc/93/43/02/992934302.db2.gz SUOZQWKQSSXELC-CABCVRRESA-N 0 3 372.448 1.506 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3nc[nH]n3)cc2F)CC1 ZINC000374744678 992934306 /nfs/dbraw/zinc/93/43/06/992934306.db2.gz SUOZQWKQSSXELC-CABCVRRESA-N 0 3 372.448 1.506 20 10 FDCDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877370122 993255030 /nfs/dbraw/zinc/25/50/30/993255030.db2.gz QVDJPFXACDXUDK-FQEVSTJZSA-N 0 3 364.486 1.830 20 10 FDCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000877516488 993315245 /nfs/dbraw/zinc/31/52/45/993315245.db2.gz ATDGZFJYBPPROC-AWEZNQCLSA-N 0 3 352.500 1.703 20 10 FDCDHN CSCC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C ZINC000877535398 993325871 /nfs/dbraw/zinc/32/58/71/993325871.db2.gz MIAPFEFRLRJADF-SFHVURJKSA-N 0 3 365.543 1.947 20 10 FDCDHN O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000924709570 994944579 /nfs/dbraw/zinc/94/45/79/994944579.db2.gz XWVXRZZGQMBNBH-KRWDZBQOSA-N 0 3 361.511 1.625 20 10 FDCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC000283663651 999760089 /nfs/dbraw/zinc/76/00/89/999760089.db2.gz YKFBLGHPDCJALK-HZPDHXFCSA-N 0 3 360.502 1.605 20 10 FDCDHN CC(C)N1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000285598372 999916423 /nfs/dbraw/zinc/91/64/23/999916423.db2.gz BIPSPHGKUILFLR-UHFFFAOYSA-N 0 3 364.465 1.451 20 10 FDCDHN Cc1cc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000929767462 1002417196 /nfs/dbraw/zinc/41/71/96/1002417196.db2.gz KPVUTMBAHLUCRL-KRWDZBQOSA-N 0 3 373.457 1.084 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@H](C)CC3)CC2)cc1 ZINC000932349290 1004919559 /nfs/dbraw/zinc/91/95/59/1004919559.db2.gz WFUMMWGWRLNKIK-MJGOQNOKSA-N 0 3 363.502 1.289 20 10 FDCDHN CC(=O)c1cc(F)cc(CN2CCC3(CC2)C[C@H](O)CNC3=O)c1O ZINC000932839085 1005208868 /nfs/dbraw/zinc/20/88/68/1005208868.db2.gz BZUXXHCKIJMHOH-AWEZNQCLSA-N 0 3 350.390 1.197 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000174108947 524515726 /nfs/dbraw/zinc/51/57/26/524515726.db2.gz OUESTCOJUNFFSS-KRWDZBQOSA-N 0 3 374.460 1.818 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCN(C3CCOCC3)CC2)cc1 ZINC000175481106 524967931 /nfs/dbraw/zinc/96/79/31/524967931.db2.gz IKERHBLXVLNGIT-UHFFFAOYSA-N 0 3 374.529 1.508 20 10 FDCDHN C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000160972520 525007292 /nfs/dbraw/zinc/00/72/92/525007292.db2.gz XAMCWASJIZNQOY-AWEZNQCLSA-N 0 3 354.454 1.819 20 10 FDCDHN COC[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000183463170 535986052 /nfs/dbraw/zinc/98/60/52/535986052.db2.gz QPMORSQQYPTNPE-QGZVFWFLSA-N 0 3 365.449 1.293 20 10 FDCDHN C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000186020316 536223629 /nfs/dbraw/zinc/22/36/29/536223629.db2.gz VBGSTNICBMDWIK-JSGCOSHPSA-N 0 3 360.451 1.670 20 10 FDCDHN CCN(CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000285779295 537274246 /nfs/dbraw/zinc/27/42/46/537274246.db2.gz STWCHUXMJIGAAA-UHFFFAOYSA-N 0 3 358.486 1.286 20 10 FDCDHN COc1c([O-])c(C[NH2+]CC2(O)CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278295463 537295024 /nfs/dbraw/zinc/29/50/24/537295024.db2.gz CFMXHVFWUZAPIE-UHFFFAOYSA-N 0 3 353.419 1.634 20 10 FDCDHN COc1ccc(N2CCN(CCN[C@H](C)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000285960848 537385148 /nfs/dbraw/zinc/38/51/48/537385148.db2.gz GQRYERSHOPCVFG-OAHLLOKOSA-N 0 3 357.458 1.251 20 10 FDCDHN CC(C)N1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000288568168 537517861 /nfs/dbraw/zinc/51/78/61/537517861.db2.gz NNHSAIVFYYLUIY-UHFFFAOYSA-N 0 3 370.497 1.622 20 10 FDCDHN CCOc1ccc(O)c(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289074804 537554570 /nfs/dbraw/zinc/55/45/70/537554570.db2.gz ANXQJJPRRXYYNJ-AWEZNQCLSA-N 0 3 356.488 1.894 20 10 FDCDHN CCOc1ccc(O)c(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289074812 537554683 /nfs/dbraw/zinc/55/46/83/537554683.db2.gz ANXQJJPRRXYYNJ-CQSZACIVSA-N 0 3 356.488 1.894 20 10 FDCDHN COc1cccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000237222614 537618683 /nfs/dbraw/zinc/61/86/83/537618683.db2.gz VYXUPELJXIQKQE-UHFFFAOYSA-N 0 3 350.440 1.941 20 10 FDCDHN CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C[NH+]1CCCC1 ZINC000276874061 674789286 /nfs/dbraw/zinc/78/92/86/674789286.db2.gz OGTGVRRJULUTCX-UHFFFAOYSA-N 0 3 369.487 1.616 20 10 FDCDHN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000287420323 675916127 /nfs/dbraw/zinc/91/61/27/675916127.db2.gz ZYYVOZZENUGWEB-WFASDCNBSA-N 0 3 367.471 1.463 20 10 FDCDHN CCS(=O)(=O)N(C)C1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000164313578 672027992 /nfs/dbraw/zinc/02/79/92/672027992.db2.gz KRGOKNPFJJVWEL-UHFFFAOYSA-N 0 3 356.488 1.955 20 10 FDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCCSc1nccs1 ZINC000185545530 672261272 /nfs/dbraw/zinc/26/12/72/672261272.db2.gz PXPKPXIPTVISBW-CQSZACIVSA-N 0 3 371.576 1.951 20 10 FDCDHN CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267089816 673248749 /nfs/dbraw/zinc/24/87/49/673248749.db2.gz DLTZVUSYMMOGMS-GFCCVEGCSA-N 0 3 355.460 1.178 20 10 FDCDHN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267089816 673248751 /nfs/dbraw/zinc/24/87/51/673248751.db2.gz DLTZVUSYMMOGMS-GFCCVEGCSA-N 0 3 355.460 1.178 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000374890589 678093190 /nfs/dbraw/zinc/09/31/90/678093190.db2.gz GHFYZHWIRTVDER-HNNXBMFYSA-N 0 3 367.471 1.368 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccn3nnnc3c2)N(C)C)cc1 ZINC000891245274 774079178 /nfs/dbraw/zinc/07/91/78/774079178.db2.gz BSFJRXQLXRSDQY-MRXNPFEDSA-N 0 3 353.430 1.223 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)N(C)C)cc1 ZINC000891249617 774110117 /nfs/dbraw/zinc/11/01/17/774110117.db2.gz VCCQPHAWWOPQKG-INIZCTEOSA-N 0 3 368.441 1.534 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(C(=O)NC3CC3)CCC2)N(C)C)cc1 ZINC000891253478 774144186 /nfs/dbraw/zinc/14/41/86/774144186.db2.gz SQTGFPPGSNYDLK-SFHVURJKSA-N 0 3 372.513 1.920 20 10 FDCDHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891255272 774167841 /nfs/dbraw/zinc/16/78/41/774167841.db2.gz OCDWFMRRNCSNFE-MJGOQNOKSA-N 0 3 360.502 1.730 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2)N(C)C)cc1 ZINC000891258672 774183916 /nfs/dbraw/zinc/18/39/16/774183916.db2.gz YYIIQSQUXFGHRM-LJQANCHMSA-N 0 3 368.481 1.902 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CCNC(=O)c2ccco2)N(C)C)cc1 ZINC000891258648 774189275 /nfs/dbraw/zinc/18/92/75/774189275.db2.gz XTFBFCCHEQOIFU-KRWDZBQOSA-N 0 3 372.469 1.885 20 10 FDCDHN Cc1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ncn1 ZINC000893850409 809770421 /nfs/dbraw/zinc/77/04/21/809770421.db2.gz YJUQPFPVJZIMNL-SFHVURJKSA-N 0 3 356.474 1.953 20 10 FDCDHN CCN1CCCC[C@@H]1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000729346722 811168206 /nfs/dbraw/zinc/16/82/06/811168206.db2.gz CIEUNYZGBXTKRK-HXUWFJFHSA-N 0 3 374.529 1.808 20 10 FDCDHN COc1cc(C)cc(CNCCS(=O)(=O)NC[C@H]2CCCCO2)c1O ZINC000894276977 814898871 /nfs/dbraw/zinc/89/88/71/814898871.db2.gz ZDMBNLIRZYIWIQ-OAHLLOKOSA-N 0 3 372.487 1.287 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729497821 819864843 /nfs/dbraw/zinc/86/48/43/819864843.db2.gz CUQFRFRVVWBDNB-OALUTQOASA-N 0 3 374.485 1.186 20 10 FDCDHN CCO[C@@H]1COC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895255884 822282271 /nfs/dbraw/zinc/28/22/71/822282271.db2.gz RXBSJENCECQSAN-FGTMMUONSA-N 0 3 364.490 1.458 20 10 FDCDHN C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2ncnn21 ZINC000895660873 822688193 /nfs/dbraw/zinc/68/81/93/822688193.db2.gz ZJMHGTTYDMVGJO-COXVUDFISA-N 0 3 371.489 1.952 20 10 FDCDHN COc1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1Cn1cccn1 ZINC000895767480 822734697 /nfs/dbraw/zinc/73/46/97/822734697.db2.gz ZDRJSKURVBDBJK-GOSISDBHSA-N 0 3 370.453 1.325 20 10 FDCDHN COc1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1Cn1cccn1 ZINC000895767482 822734769 /nfs/dbraw/zinc/73/47/69/822734769.db2.gz ZDRJSKURVBDBJK-SFHVURJKSA-N 0 3 370.453 1.325 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NOC2CCOCC2)N(C)C)cc1 ZINC000899101379 845772662 /nfs/dbraw/zinc/77/26/62/845772662.db2.gz HJJBGFCIIIXTEK-QGZVFWFLSA-N 0 3 350.463 1.765 20 10 FDCDHN COCC[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101391 845773638 /nfs/dbraw/zinc/77/36/38/845773638.db2.gz HNVJYCNFIQFIGK-NVXWUHKLSA-N 0 3 352.479 1.052 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C(N)=O)C2)N(C)C)cc1 ZINC000899105186 845779358 /nfs/dbraw/zinc/77/93/58/845779358.db2.gz VBLNUTBGHFPXGK-VQIMIIECSA-N 0 3 361.490 1.262 20 10 FDCDHN CC(C)[C@@H](CO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105802 845780539 /nfs/dbraw/zinc/78/05/39/845780539.db2.gz ZAIUORJNOWTTQK-SJLPKXTDSA-N 0 3 350.507 1.919 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)N(C)C)cc1 ZINC000899098495 845791246 /nfs/dbraw/zinc/79/12/46/845791246.db2.gz OYPFQUGMTICWIP-HYVNUMGLSA-N 0 3 361.490 1.261 20 10 FDCDHN CCC[C@H](O)[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098816 845792527 /nfs/dbraw/zinc/79/25/27/845792527.db2.gz SMSHMHDRNRXRPF-SQNIBIBYSA-N 0 3 366.506 1.176 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@]2(O)CCSC2)N(C)C)cc1 ZINC000899100818 845797899 /nfs/dbraw/zinc/79/78/99/845797899.db2.gz DZOQFAKGCAYESX-WMZOPIPTSA-N 0 3 366.531 1.523 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(CCOC3)CC1)cc2=O ZINC000761058798 863973849 /nfs/dbraw/zinc/97/38/49/863973849.db2.gz NMEATAOWDPXRIK-UHFFFAOYSA-N 0 3 360.414 1.614 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000174046080 866241485 /nfs/dbraw/zinc/24/14/85/866241485.db2.gz ODJRGJAPEQLOIB-KRWDZBQOSA-N 0 3 360.502 1.559 20 10 FDCDHN C[C@H]1[C@@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1C ZINC000922824820 879383408 /nfs/dbraw/zinc/38/34/08/879383408.db2.gz VEGDXPWMXKXNFV-LRDDRELGSA-N 0 3 368.428 1.693 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000919404459 885708396 /nfs/dbraw/zinc/70/83/96/885708396.db2.gz MCXXUVQYNYBRPK-ZDUSSCGKSA-N 0 3 351.422 1.831 20 10 FDCDHN CN1CCN(c2ccc(CN3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764679718 905360393 /nfs/dbraw/zinc/36/03/93/905360393.db2.gz UULOIMLUZLWAGR-SFHVURJKSA-N 0 3 351.516 1.447 20 10 FDCDHN C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392858 926039104 /nfs/dbraw/zinc/03/91/04/926039104.db2.gz UBGFJHZOKZBQGK-BEFAXECRSA-N 0 3 369.469 1.540 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C)C[C@@H]1C(C)C)cc2=O ZINC000746461984 928056417 /nfs/dbraw/zinc/05/64/17/928056417.db2.gz IQNPGAKMBXTZRR-OAHLLOKOSA-N 0 3 361.446 1.384 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]CCC2CS(=O)(=O)C2)c1[O-] ZINC000786824125 932054831 /nfs/dbraw/zinc/05/48/31/932054831.db2.gz JDAFQBSZHHBIKF-UHFFFAOYSA-N 0 3 364.261 1.688 20 10 FDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cc2)C1 ZINC000787110333 932165539 /nfs/dbraw/zinc/16/55/39/932165539.db2.gz GZMMALKWANLEHA-QFBILLFUSA-N 0 3 370.497 1.631 20 10 FDCDHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788930338 932865236 /nfs/dbraw/zinc/86/52/36/932865236.db2.gz QTWZSWLHDPVKIZ-UHFFFAOYSA-N 0 3 358.486 1.456 20 10 FDCDHN CN(CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000793939468 938347837 /nfs/dbraw/zinc/34/78/37/938347837.db2.gz WCCGQNQDNFXATM-UHFFFAOYSA-N 0 3 371.437 1.724 20 10 FDCDHN O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804731935 938557577 /nfs/dbraw/zinc/55/75/77/938557577.db2.gz ZDNDFTDENNBMHP-ZDUSSCGKSA-N 0 3 368.528 1.342 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000807670143 940439917 /nfs/dbraw/zinc/43/99/17/940439917.db2.gz BIILYJIXUCCLJR-CRAIPNDOSA-N 0 3 358.486 1.627 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000807679451 940454548 /nfs/dbraw/zinc/45/45/48/940454548.db2.gz RVVZPJIDLLPETL-HUUCEWRRSA-N 0 3 358.486 1.696 20 10 FDCDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701627 940880677 /nfs/dbraw/zinc/88/06/77/940880677.db2.gz ZYZBVHDZDRNTHZ-SJLPKXTDSA-N 0 3 363.477 1.957 20 10 FDCDHN CN(C)S(=O)(=O)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000811789184 941166183 /nfs/dbraw/zinc/16/61/83/941166183.db2.gz SOZAYHIEZNJHKK-UHFFFAOYSA-N 0 3 353.488 1.195 20 10 FDCDHN C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000747815431 941267549 /nfs/dbraw/zinc/26/75/49/941267549.db2.gz HWAXTFGRBVWMFB-JXFKEZNVSA-N 0 3 373.497 1.954 20 10 FDCDHN COC(=O)C12CC(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)(C1)C2 ZINC001134686511 941725062 /nfs/dbraw/zinc/72/50/62/941725062.db2.gz MUXOGVKSHLBWNF-DZIBYMRMSA-N 0 3 359.470 1.815 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ccoc3C)CC2)cc1 ZINC000818970755 943386560 /nfs/dbraw/zinc/38/65/60/943386560.db2.gz PYBYYQKZDMNUHV-LJQANCHMSA-N 0 3 359.470 1.869 20 10 FDCDHN CCN1CCN(c2ccc(CNC[C@H](C)S(C)(=O)=O)cc2F)CC1 ZINC000819033074 943409578 /nfs/dbraw/zinc/40/95/78/943409578.db2.gz LYPZRLZKLGYRSB-AWEZNQCLSA-N 0 3 357.495 1.490 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cncc(C)c3)CC2)cc1 ZINC000819195294 943470387 /nfs/dbraw/zinc/47/03/87/943470387.db2.gz ZMKMLAFHXRNLCV-HXUWFJFHSA-N 0 3 370.497 1.671 20 10 FDCDHN NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825246494 947089837 /nfs/dbraw/zinc/08/98/37/947089837.db2.gz BDAQKAPTSGAKEO-CYBMUJFWSA-N 0 3 370.291 1.832 20 10 FDCDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H](C)CS(C)(=O)=O ZINC000775696197 971546789 /nfs/dbraw/zinc/54/67/89/971546789.db2.gz INGVXCADPRSGDD-MRXNPFEDSA-N 0 3 353.532 1.693 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCCC[C@H]3CO)CC2)cc1 ZINC000847013797 951769349 /nfs/dbraw/zinc/76/93/49/951769349.db2.gz JSWYUXUADMCTGJ-SFHVURJKSA-N 0 3 361.486 1.581 20 10 FDCDHN O=C(c1cccc(O)c1[O-])N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001148214484 952648639 /nfs/dbraw/zinc/64/86/39/952648639.db2.gz UEGIENIHMAIXQM-DUVNUKRYSA-N 0 3 370.409 1.159 20 10 FDCDHN COc1ccc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc1Cn1cccn1 ZINC001594094764 958393897 /nfs/dbraw/zinc/39/38/97/958393897.db2.gz SVSGPOLAGDIGJQ-UHFFFAOYSA-N 0 3 358.442 1.579 20 10 FDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000774479583 962232949 /nfs/dbraw/zinc/23/29/49/962232949.db2.gz PUCDBOKWLFDALH-GRDNDAEWSA-N 0 3 367.515 1.437 20 10 FDCDHN CCN(C(=O)CN[C@H](C)c1cc(OC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775369708 967683851 /nfs/dbraw/zinc/68/38/51/967683851.db2.gz FUDGXZAKUUYPJV-CHWSQXEVSA-N 0 3 370.471 1.087 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000775371395 967713691 /nfs/dbraw/zinc/71/36/91/967713691.db2.gz XLXSPOVJSIEWEA-ZDUSSCGKSA-N 0 3 350.415 1.417 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000853748648 968290508 /nfs/dbraw/zinc/29/05/08/968290508.db2.gz IIHDKAWXEYCABU-UHFFFAOYSA-N 0 3 363.506 1.222 20 10 FDCDHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853776957 968307098 /nfs/dbraw/zinc/30/70/98/968307098.db2.gz XVRGBYROIXETHL-UHFFFAOYSA-N 0 3 373.501 1.224 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1F ZINC000847313468 975458898 /nfs/dbraw/zinc/45/88/98/975458898.db2.gz FUBHYOHRMRYUGN-JKSUJKDBSA-N 0 3 364.465 1.632 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC000847400663 975575060 /nfs/dbraw/zinc/57/50/60/975575060.db2.gz SHSJCSJVOMIICR-KRWDZBQOSA-N 0 3 360.502 1.275 20 10 FDCDHN C[C@@H]1C[C@H]([NH2+]C[C@]23COCCN2C(=O)COC3)c2c1c(F)ccc2[O-] ZINC000866554136 975780980 /nfs/dbraw/zinc/78/09/80/975780980.db2.gz PRKSYZBDXZYIEV-SUFBMKPHSA-N 0 3 350.390 1.297 20 10 FDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c1[O-] ZINC000848553504 976901042 /nfs/dbraw/zinc/90/10/42/976901042.db2.gz UGSBMHKSARAKLS-MWLCHTKSSA-N 0 3 371.235 1.467 20 10 FDCDHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299659 977469523 /nfs/dbraw/zinc/46/95/23/977469523.db2.gz LBIYKEKIXQJEDD-GOSISDBHSA-N 0 3 367.405 1.534 20 10 FDCDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000849565356 977760418 /nfs/dbraw/zinc/76/04/18/977760418.db2.gz TUBHZMIPOCCHAZ-CVEARBPZSA-N 0 3 358.442 1.226 20 10 FDCDHN C[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000851898305 979173285 /nfs/dbraw/zinc/17/32/85/979173285.db2.gz UZGSKFYGLSQFBU-IERDGZPVSA-N 0 3 369.465 1.547 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CCC(F)(F)CC3)CC2)cc1 ZINC000796539642 1014908785 /nfs/dbraw/zinc/90/87/85/1014908785.db2.gz NBDADHQVWDZWKT-QGZVFWFLSA-N 0 3 369.456 1.909 20 10 FDCDHN C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000862792660 984536963 /nfs/dbraw/zinc/53/69/63/984536963.db2.gz BRTJCYFRFZALLE-LBPRGKRZSA-N 0 3 355.460 1.225 20 10 FDCDHN C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000862792660 984536966 /nfs/dbraw/zinc/53/69/66/984536966.db2.gz BRTJCYFRFZALLE-LBPRGKRZSA-N 0 3 355.460 1.225 20 10 FDCDHN O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CNC1 ZINC000923620908 986123009 /nfs/dbraw/zinc/12/30/09/986123009.db2.gz GWFJLXPZGSRZNH-NSHDSACASA-N 0 3 361.414 1.148 20 10 FDCDHN C[C@@H](NCCN1CCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000886743275 986537254 /nfs/dbraw/zinc/53/72/54/986537254.db2.gz ZIJMGNRNMGAMQT-CYBMUJFWSA-N 0 3 352.866 1.852 20 10 FDCDHN Cc1cc(Br)cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c1[O-] ZINC000872262809 987557414 /nfs/dbraw/zinc/55/74/14/987557414.db2.gz QCFOXYUFJYFULK-HNNXBMFYSA-N 0 3 371.231 1.774 20 10 FDCDHN CC(C)NC(=O)CN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000372392055 991072559 /nfs/dbraw/zinc/07/25/59/991072559.db2.gz SQCPYKSVEJWAFE-UHFFFAOYSA-N 0 3 374.529 1.556 20 10 FDCDHN CCN1CCN(C[C@H](C)CNC(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000373596529 992311009 /nfs/dbraw/zinc/31/10/09/992311009.db2.gz NRXNTSUYDVYHMG-QGZVFWFLSA-N 0 3 373.545 1.752 20 10 FDCDHN COc1ccc(N(C)CCN(C)Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000877609675 993379851 /nfs/dbraw/zinc/37/98/51/993379851.db2.gz GWFXGEASWAWJHM-UHFFFAOYSA-N 0 3 363.483 1.911 20 10 FDCDHN COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000877727510 993483864 /nfs/dbraw/zinc/48/38/64/993483864.db2.gz XOHAQTBAQZNCQQ-YMTOWFKASA-N 0 3 374.231 1.831 20 10 FDCDHN CNC(=O)C1(NCc2ccc(N3CCC(OC)CC3)cc2)CCOCC1 ZINC000887091799 996924365 /nfs/dbraw/zinc/92/43/65/996924365.db2.gz WJXBKJJWWWYOAP-UHFFFAOYSA-N 0 3 361.486 1.687 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NCCN2CCC(C)(C)C2)cc1F ZINC000929801912 1002466512 /nfs/dbraw/zinc/46/65/12/1002466512.db2.gz HPQVEAAKCYBMGG-UHFFFAOYSA-N 0 3 364.465 1.356 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000554644575 543843933 /nfs/dbraw/zinc/84/39/33/543843933.db2.gz RUVDGAFKNJLSIW-UHFFFAOYSA-N 0 3 358.486 1.902 20 10 FDCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000122311784 524505742 /nfs/dbraw/zinc/50/57/42/524505742.db2.gz AWVUJPHFOLFIDE-WBVHZDCISA-N 0 3 358.486 1.948 20 10 FDCDHN Cc1cc(O)c(CNCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1C ZINC000174380969 524557918 /nfs/dbraw/zinc/55/79/18/524557918.db2.gz VDLGFJHNOMOQCY-INIZCTEOSA-N 0 3 356.488 1.587 20 10 FDCDHN COCCN1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000154167495 525448558 /nfs/dbraw/zinc/44/85/58/525448558.db2.gz FYHHACRTGPGRIX-UHFFFAOYSA-N 0 3 358.486 1.973 20 10 FDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1C1CCOCC1 ZINC000154873703 525668555 /nfs/dbraw/zinc/66/85/55/525668555.db2.gz XXGMMYRSOBPPQF-HXUWFJFHSA-N 0 3 373.497 1.783 20 10 FDCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c1[O-] ZINC000181346976 525843315 /nfs/dbraw/zinc/84/33/15/525843315.db2.gz SDCFZPIUYIPFBZ-INIZCTEOSA-N 0 3 367.877 1.377 20 10 FDCDHN COc1ccc(N2CCN(CCCN[C@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000182237704 526106758 /nfs/dbraw/zinc/10/67/58/526106758.db2.gz LSCALDKTFOFIHU-MRXNPFEDSA-N 0 3 369.531 1.230 20 10 FDCDHN CN(Cc1ccc(N2CCOCC2)cc1)CC1CCS(=O)(=O)CC1 ZINC000271296849 537419058 /nfs/dbraw/zinc/41/90/58/537419058.db2.gz NXIBKCQCXZPGLD-UHFFFAOYSA-N 0 3 352.500 1.780 20 10 FDCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)N(C)C1CC1 ZINC000287958588 537449444 /nfs/dbraw/zinc/44/94/44/537449444.db2.gz QVDOZCGCPDRJCA-OAHLLOKOSA-N 0 3 356.470 1.278 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CC[C@H](O)CC3)CC2)cc1 ZINC000275840555 537581455 /nfs/dbraw/zinc/58/14/55/537581455.db2.gz JVVUNPFFVUFCQU-SAABIXHNSA-N 0 3 361.486 1.579 20 10 FDCDHN CO[C@H](CN)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000289940918 537631206 /nfs/dbraw/zinc/63/12/06/537631206.db2.gz LMYGHZCVYOSQEV-CQSZACIVSA-N 0 3 361.364 1.132 20 10 FDCDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000285733057 537752427 /nfs/dbraw/zinc/75/24/27/537752427.db2.gz OKOYSYDTDCATHC-QGZVFWFLSA-N 0 3 358.486 1.238 20 10 FDCDHN COc1ccc(O)c([C@@H](C)N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034571 537973791 /nfs/dbraw/zinc/97/37/91/537973791.db2.gz BQDDFBWOSXRUBW-UKRRQHHQSA-N 0 3 368.499 1.703 20 10 FDCDHN C[C@@H](CNC(=O)NCCCSc1nccs1)CN1CCN(C)CC1 ZINC000153972280 671911912 /nfs/dbraw/zinc/91/19/12/671911912.db2.gz YDLYBHQULNLSNT-AWEZNQCLSA-N 0 3 371.576 1.808 20 10 FDCDHN O=c1cc(CN2CCN(Cc3ccccc3O)CC2)nc2sccn21 ZINC000179554486 672162402 /nfs/dbraw/zinc/16/24/02/672162402.db2.gz CCQIROGNLGSHHW-UHFFFAOYSA-N 0 3 356.451 1.779 20 10 FDCDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(OC)c(OC)cc1O ZINC000364287562 677005086 /nfs/dbraw/zinc/00/50/86/677005086.db2.gz FAEYIBHJFSZUEN-ZIAGYGMSSA-N 0 3 353.415 1.952 20 10 FDCDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(OC)c(OC)cc1O ZINC000364287560 677005101 /nfs/dbraw/zinc/00/51/01/677005101.db2.gz FAEYIBHJFSZUEN-KGLIPLIRSA-N 0 3 353.415 1.952 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000377659501 678584660 /nfs/dbraw/zinc/58/46/60/678584660.db2.gz ZYDRCDNXNCLXNR-CQSZACIVSA-N 0 3 367.471 1.464 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN(C3CC3)C2=O)N(C)C)cc1 ZINC000891243511 774058008 /nfs/dbraw/zinc/05/80/08/774058008.db2.gz PCTQYOAZWNJNSD-OALUTQOASA-N 0 3 372.513 1.873 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)N(C)C)cc1 ZINC000891247227 774093165 /nfs/dbraw/zinc/09/31/65/774093165.db2.gz RTKAUQQVFAVFDA-SJLPKXTDSA-N 0 3 370.501 1.716 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCn3cncc3C2)N(C)C)cc1 ZINC000891247504 774093790 /nfs/dbraw/zinc/09/37/90/774093790.db2.gz HVTVKGFRTGPPNT-LPHOPBHVSA-N 0 3 355.486 1.931 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/CN2CCOCC2)N(C)C)cc1 ZINC000891248365 774096312 /nfs/dbraw/zinc/09/63/12/774096312.db2.gz LTPABYCFQJUUAR-UEKDZROGSA-N 0 3 360.502 1.360 20 10 FDCDHN COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000891248480 774097485 /nfs/dbraw/zinc/09/74/85/774097485.db2.gz NFSRHNYQNGXMGJ-QGZVFWFLSA-N 0 3 358.442 1.900 20 10 FDCDHN COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891248018 774099704 /nfs/dbraw/zinc/09/97/04/774099704.db2.gz JYHGDASNJOTMRN-HNNXBMFYSA-N 0 3 360.414 1.560 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc3cccnn32)N(C)C)cc1 ZINC000891249588 774109265 /nfs/dbraw/zinc/10/92/65/774109265.db2.gz ROCDMNKVYYWURI-MRXNPFEDSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)N(C)C)cc1 ZINC000891249620 774110048 /nfs/dbraw/zinc/11/00/48/774110048.db2.gz VCCQPHAWWOPQKG-MRXNPFEDSA-N 0 3 368.441 1.534 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccccn2)N(C)C)cc1 ZINC000891250512 774115467 /nfs/dbraw/zinc/11/54/67/774115467.db2.gz ASDONACWAWGEND-GOSISDBHSA-N 0 3 369.469 1.297 20 10 FDCDHN CC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)N1CCCC1=O ZINC000891254179 774150521 /nfs/dbraw/zinc/15/05/21/774150521.db2.gz XBHGEHQXGNCUPB-MSOLQXFVSA-N 0 3 360.502 1.873 20 10 FDCDHN COc1ccc(CNCCS(=O)(=O)NCC2CCC2)c(O)c1OC ZINC000892879447 791548759 /nfs/dbraw/zinc/54/87/59/791548759.db2.gz KMGPZELQHIJUSC-UHFFFAOYSA-N 0 3 358.460 1.219 20 10 FDCDHN CNC(=O)C(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893771306 809724171 /nfs/dbraw/zinc/72/41/71/809724171.db2.gz WBPIVKJOGKPTSU-INIZCTEOSA-N 0 3 363.506 1.427 20 10 FDCDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272476471 814719818 /nfs/dbraw/zinc/71/98/18/814719818.db2.gz QFJRJTAFQHDAAG-HEWZJLJBSA-N 0 3 361.442 1.170 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC000895259775 822323680 /nfs/dbraw/zinc/32/36/80/822323680.db2.gz FYZBXZIIWASXGN-UXLLHSPISA-N 0 3 361.490 1.309 20 10 FDCDHN COC(=O)/C(C)=C/CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896605494 824713268 /nfs/dbraw/zinc/71/32/68/824713268.db2.gz WIHSNRCSSIUQKL-WKOYGUFESA-N 0 3 362.474 1.774 20 10 FDCDHN CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000898354730 840989686 /nfs/dbraw/zinc/98/96/86/840989686.db2.gz UDODFYKYYNJCPC-DGCLKSJQSA-N 0 3 358.822 1.593 20 10 FDCDHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2 ZINC000898842883 845334169 /nfs/dbraw/zinc/33/41/69/845334169.db2.gz YCNCJBYYVQGSOB-LSDHHAIUSA-N 0 3 367.471 1.366 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCOC[C@@H]2CCO)N(C)C)cc1 ZINC000899096841 845759197 /nfs/dbraw/zinc/75/91/97/845759197.db2.gz VEDODAKPQGVDLN-ZWKOTPCHSA-N 0 3 364.490 1.148 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)N(C)C)cc1 ZINC000899097716 845759860 /nfs/dbraw/zinc/75/98/60/845759860.db2.gz FUKCZLJRNFHCSE-OIISXLGYSA-N 0 3 360.458 1.170 20 10 FDCDHN C[C@H](O)[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899099243 845793826 /nfs/dbraw/zinc/79/38/26/845793826.db2.gz XMKIKPVCJODTJQ-BMGDILEWSA-N 0 3 364.490 1.147 20 10 FDCDHN CC(C)[C@@H](CO)ONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099082 845793832 /nfs/dbraw/zinc/79/38/32/845793832.db2.gz VELQUTSMZMHLSC-DLBZAZTESA-N 0 3 352.479 1.603 20 10 FDCDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899156607 845876515 /nfs/dbraw/zinc/87/65/15/845876515.db2.gz URJPFUMTJVZYFU-NSHDSACASA-N 0 3 350.440 1.888 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC[C@@H](O)C3(O)CCC3)cc2F)C[C@H](C)O1 ZINC000905054580 851614696 /nfs/dbraw/zinc/61/46/96/851614696.db2.gz JPNGIDSIPBXSRC-QWQRMKEZSA-N 0 3 352.450 1.805 20 10 FDCDHN O=C(NCc1c([O-])cccc1F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000916999861 882774883 /nfs/dbraw/zinc/77/48/83/882774883.db2.gz OGPDVMQVWGGYOJ-UHFFFAOYSA-N 0 3 351.422 1.976 20 10 FDCDHN CCN(CC)c1ccc(CNC[C@@]2(OC)CCS(=O)(=O)C2)cc1F ZINC000922614472 878786496 /nfs/dbraw/zinc/78/64/96/878786496.db2.gz CFEMCFNKWAIUHC-KRWDZBQOSA-N 0 3 358.479 1.965 20 10 FDCDHN C[C@H]1[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1C ZINC000922824819 879382896 /nfs/dbraw/zinc/38/28/96/879382896.db2.gz VEGDXPWMXKXNFV-BLLLJJGKSA-N 0 3 368.428 1.693 20 10 FDCDHN C/C(=C\C(=O)NCc1ccc(N2CCN(C)CC2)cc1)CN1CCOCC1 ZINC000918838628 884953338 /nfs/dbraw/zinc/95/33/38/884953338.db2.gz KSIYGGOSUSGPOT-OBGWFSINSA-N 0 3 372.513 1.333 20 10 FDCDHN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CN2CCN1CCC2 ZINC000763933055 900779543 /nfs/dbraw/zinc/77/95/43/900779543.db2.gz XPSDBRJDNRPHQQ-SFHVURJKSA-N 0 3 360.527 1.246 20 10 FDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N(C)C ZINC000730280569 916455800 /nfs/dbraw/zinc/45/58/00/916455800.db2.gz VCNONOWESYOILH-WMZOPIPTSA-N 0 3 360.502 1.591 20 10 FDCDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000734275169 923154214 /nfs/dbraw/zinc/15/42/14/923154214.db2.gz VZFVJQZVWDYBDW-GOSISDBHSA-N 0 3 372.513 1.931 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000738317215 925156254 /nfs/dbraw/zinc/15/62/54/925156254.db2.gz JDTGBNQXTCYTIY-FQEVSTJZSA-N 0 3 374.529 1.556 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804731253 938556482 /nfs/dbraw/zinc/55/64/82/938556482.db2.gz KWPZGXQWBJGRSW-KRWDZBQOSA-N 0 3 358.486 1.278 20 10 FDCDHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000804732651 938556729 /nfs/dbraw/zinc/55/67/29/938556729.db2.gz WOCIJWWSLJVJLO-WMLDXEAASA-N 0 3 358.486 1.530 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804733435 938557937 /nfs/dbraw/zinc/55/79/37/938557937.db2.gz HRKYYTPVPPFTHD-GOSISDBHSA-N 0 3 368.481 1.280 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1F ZINC000817810919 942964993 /nfs/dbraw/zinc/96/49/93/942964993.db2.gz BIHSXFIKXRRARL-CQSZACIVSA-N 0 3 350.438 1.061 20 10 FDCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000817811739 942966744 /nfs/dbraw/zinc/96/67/44/942966744.db2.gz POPRNKOZOBBHDY-GOSISDBHSA-N 0 3 372.513 1.626 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3ccc(F)cn3)CC2)cc1 ZINC000819168610 943458693 /nfs/dbraw/zinc/45/86/93/943458693.db2.gz RYJNFDCSYNHFBW-IBGZPJMESA-N 0 3 374.460 1.502 20 10 FDCDHN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000821436305 944503795 /nfs/dbraw/zinc/50/37/95/944503795.db2.gz MBMQJMDNOSBRRI-RHSMWYFYSA-N 0 3 372.473 1.947 20 10 FDCDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136557659 944913393 /nfs/dbraw/zinc/91/33/93/944913393.db2.gz MWMWBIDKROLMTF-HNNXBMFYSA-N 0 3 374.445 1.522 20 10 FDCDHN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnn3CCN(C)C)C2)cc1 ZINC000823589806 945841971 /nfs/dbraw/zinc/84/19/71/945841971.db2.gz MRFQQIKNBOGNMW-OAHLLOKOSA-N 0 3 372.473 1.854 20 10 FDCDHN CCOC(=O)[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CC12COC2 ZINC000824489747 946470417 /nfs/dbraw/zinc/47/04/17/946470417.db2.gz RLMBNZHYJPOROV-ZDUSSCGKSA-N 0 3 351.399 1.421 20 10 FDCDHN CCc1noc(C[C@@]2(O)CCCN(Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000856593645 971241869 /nfs/dbraw/zinc/24/18/69/971241869.db2.gz VQXIQFNLKOJKED-SFHVURJKSA-N 0 3 361.398 1.636 20 10 FDCDHN CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775700929 971563274 /nfs/dbraw/zinc/56/32/74/971563274.db2.gz SLNSWLXKOVDENV-MRXNPFEDSA-N 0 3 353.532 1.693 20 10 FDCDHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)cc1C ZINC001093849307 958973446 /nfs/dbraw/zinc/97/34/46/958973446.db2.gz FBYXIGHRGBOFIB-GDBMZVCRSA-N 0 3 370.453 1.997 20 10 FDCDHN [NH3+][C@H]1C[C@H](F)CN(Cc2ccc(I)cc2[O-])C1 ZINC001206432490 965611354 /nfs/dbraw/zinc/61/13/54/965611354.db2.gz CAMKLPQWHQAFFX-ONGXEEELSA-N 0 3 350.175 1.868 20 10 FDCDHN CCN1CCN(C(=O)[C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256297 966985380 /nfs/dbraw/zinc/98/53/80/966985380.db2.gz WJLLRZPZBQOQNB-QZTJIDSGSA-N 0 3 374.529 1.726 20 10 FDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCS(=O)(=O)C3)cc2)C1 ZINC000775376164 967756177 /nfs/dbraw/zinc/75/61/77/967756177.db2.gz OVZRCMTZWXVRMU-HZPDHXFCSA-N 0 3 365.499 1.055 20 10 FDCDHN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](N4CC=CC4)C3)C2)cc1 ZINC000854300546 968748263 /nfs/dbraw/zinc/74/82/63/968748263.db2.gz VLZLNFRRCNDXJS-AEFFLSMTSA-N 0 3 356.470 1.930 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)CC1(O)CCOCC1)C[C@H]1CCCO1 ZINC000863969054 973340129 /nfs/dbraw/zinc/34/01/29/973340129.db2.gz RFHUOULYLBPVKU-QZTJIDSGSA-N 0 3 365.470 1.666 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CC1(O)CCOCC1)C[C@H]1CCCO1 ZINC000863969054 973340141 /nfs/dbraw/zinc/34/01/41/973340141.db2.gz RFHUOULYLBPVKU-QZTJIDSGSA-N 0 3 365.470 1.666 20 10 FDCDHN CCOC(=O)[C@H](C)NC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001199851568 974536707 /nfs/dbraw/zinc/53/67/07/974536707.db2.gz GDFDHIYEZLDBMW-ZDUSSCGKSA-N 0 3 365.499 1.772 20 10 FDCDHN O=S(=O)(Cc1ccon1)NCCNCc1ccc(N2CCCC2)cc1 ZINC001200871801 974924031 /nfs/dbraw/zinc/92/40/31/974924031.db2.gz DIFCSXUAECHBSQ-UHFFFAOYSA-N 0 3 364.471 1.484 20 10 FDCDHN CN(C)CCCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000866531323 975762111 /nfs/dbraw/zinc/76/21/11/975762111.db2.gz GDIOOAPOZQWSEQ-UHFFFAOYSA-N 0 3 357.545 1.611 20 10 FDCDHN COC(=O)/C=C/c1ccc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858612202 982153213 /nfs/dbraw/zinc/15/32/13/982153213.db2.gz ZLXTUTNTAGUVSB-GQCTYLIASA-N 0 3 374.441 1.465 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000875006368 990717701 /nfs/dbraw/zinc/71/77/01/990717701.db2.gz JBFLXWAAFRPGKL-GOSISDBHSA-N 0 3 358.486 1.502 20 10 FDCDHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372454020 991121653 /nfs/dbraw/zinc/12/16/53/991121653.db2.gz KXGRNDQALLIQHP-UHFFFAOYSA-N 0 3 359.518 1.458 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c([O-])c1 ZINC000373868511 992492632 /nfs/dbraw/zinc/49/26/32/992492632.db2.gz ITAJXEWBPBTGIF-CQSZACIVSA-N 0 3 359.430 1.709 20 10 FDCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c([O-])c1 ZINC000373868511 992492640 /nfs/dbraw/zinc/49/26/40/992492640.db2.gz ITAJXEWBPBTGIF-CQSZACIVSA-N 0 3 359.430 1.709 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@](O)(C4CC4)C3)CC2)cc1 ZINC000373913343 992517098 /nfs/dbraw/zinc/51/70/98/992517098.db2.gz XSNQZUNZCPKYQH-HXUWFJFHSA-N 0 3 359.470 1.191 20 10 FDCDHN COC[C@@]1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCCCN1 ZINC000876732638 992847066 /nfs/dbraw/zinc/84/70/66/992847066.db2.gz BMMPFIDLJGUCJM-HXUWFJFHSA-N 0 3 361.486 1.893 20 10 FDCDHN NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000375522110 993209712 /nfs/dbraw/zinc/20/97/12/993209712.db2.gz GFVCFRATZAJWAZ-HXUWFJFHSA-N 0 3 356.422 1.783 20 10 FDCDHN NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000375522110 993209721 /nfs/dbraw/zinc/20/97/21/993209721.db2.gz GFVCFRATZAJWAZ-HXUWFJFHSA-N 0 3 356.422 1.783 20 10 FDCDHN Cc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000877550403 993335508 /nfs/dbraw/zinc/33/55/08/993335508.db2.gz WLPGRAGGYCLJJQ-UHFFFAOYSA-N 0 3 350.440 1.859 20 10 FDCDHN Cc1ccc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000877550403 993335528 /nfs/dbraw/zinc/33/55/28/993335528.db2.gz WLPGRAGGYCLJJQ-UHFFFAOYSA-N 0 3 350.440 1.859 20 10 FDCDHN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000777558818 995522280 /nfs/dbraw/zinc/52/22/80/995522280.db2.gz UPTDHTWVPXLUQP-PXNSSMCTSA-N 0 3 352.390 1.914 20 10 FDCDHN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000777558818 995522291 /nfs/dbraw/zinc/52/22/91/995522291.db2.gz UPTDHTWVPXLUQP-PXNSSMCTSA-N 0 3 352.390 1.914 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)[C@@H](C)C(=O)OCC)cc2=O ZINC000273987532 999735607 /nfs/dbraw/zinc/73/56/07/999735607.db2.gz JGQUKEWEAKQVSR-GHMZBOCLSA-N 0 3 364.402 1.289 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000283711365 999760688 /nfs/dbraw/zinc/76/06/88/999760688.db2.gz AEWRZDHLLAWFQG-MRXNPFEDSA-N 0 3 372.513 1.916 20 10 FDCDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284112506 999777124 /nfs/dbraw/zinc/77/71/24/999777124.db2.gz OXFYXBLLTOYSPJ-SFHVURJKSA-N 0 3 358.486 1.504 20 10 FDCDHN CC(C)N1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000284326460 999807497 /nfs/dbraw/zinc/80/74/97/999807497.db2.gz WTXVYXSKLLPQDP-UHFFFAOYSA-N 0 3 372.513 1.846 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000289266596 1000086166 /nfs/dbraw/zinc/08/61/66/1000086166.db2.gz GAELIWUKZIKLNG-OAHLLOKOSA-N 0 3 358.486 1.478 20 10 FDCDHN Cn1cc(C2=NC[C@H](CN(Cc3ccccc3O)C[C@@H]3CCCO3)O2)cn1 ZINC000929972029 1002677691 /nfs/dbraw/zinc/67/76/91/1002677691.db2.gz REGKTLCVNSEZQI-ZWKOTPCHSA-N 0 3 370.453 1.952 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC2CC=CC2)N(C)C)cc1 ZINC000931059783 1003832212 /nfs/dbraw/zinc/83/22/12/1003832212.db2.gz QBILSLIHUUMNFQ-SFHVURJKSA-N 0 3 358.486 1.554 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(=O)n(C)n2)N(C)C)cc1 ZINC000931737097 1004458000 /nfs/dbraw/zinc/45/80/00/1004458000.db2.gz HAFGTSXIULBZRN-OAHLLOKOSA-N 0 3 358.446 1.271 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H]3CSC[C@]3(C)C1)cc2=O ZINC000934769990 1005797913 /nfs/dbraw/zinc/79/79/13/1005797913.db2.gz AANUHIBSQFAMKL-DIFFPNOSSA-N 0 3 362.455 1.797 20 10 FDCDHN CCN1CCN(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000044848923 522009776 /nfs/dbraw/zinc/00/97/76/522009776.db2.gz BPTDALVISWMJEE-UHFFFAOYSA-N 0 3 360.502 1.371 20 10 FDCDHN C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000057171988 522022183 /nfs/dbraw/zinc/02/21/83/522022183.db2.gz HFQCGYCFLYUMTB-GFCCVEGCSA-N 0 3 355.460 1.225 20 10 FDCDHN C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000057171988 522022191 /nfs/dbraw/zinc/02/21/91/522022191.db2.gz HFQCGYCFLYUMTB-GFCCVEGCSA-N 0 3 355.460 1.225 20 10 FDCDHN CN1CCN(C(=O)C2CCN(Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000054496710 523645556 /nfs/dbraw/zinc/64/55/56/523645556.db2.gz VXPRNPMTRWERTH-UHFFFAOYSA-N 0 3 361.442 1.107 20 10 FDCDHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cccc(OC)c2O)CC1 ZINC000080450375 523882084 /nfs/dbraw/zinc/88/20/84/523882084.db2.gz RVZKIFVLEVBKES-OAHLLOKOSA-N 0 3 364.490 1.474 20 10 FDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000156536034 524095795 /nfs/dbraw/zinc/09/57/95/524095795.db2.gz MXTJNTKDHVFVQK-GOEBONIOSA-N 0 3 356.488 1.921 20 10 FDCDHN CCCN1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000112409482 524479291 /nfs/dbraw/zinc/47/92/91/524479291.db2.gz ATZWZXFYPQEYKO-UHFFFAOYSA-N 0 3 374.529 1.762 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3C[C@@H](C)O)CC2)cc1 ZINC000152549658 524923954 /nfs/dbraw/zinc/92/39/54/524923954.db2.gz WRSMRNWGVSJYMC-SJLPKXTDSA-N 0 3 361.486 1.579 20 10 FDCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000154002509 525389070 /nfs/dbraw/zinc/38/90/70/525389070.db2.gz QLEGTRCNZBCLAW-UHFFFAOYSA-N 0 3 364.471 1.377 20 10 FDCDHN C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(C)C1CC1 ZINC000105160692 525470644 /nfs/dbraw/zinc/47/06/44/525470644.db2.gz PPFRDEDEXXIMEW-AWEZNQCLSA-N 0 3 364.465 1.944 20 10 FDCDHN CCN(C)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000263668367 537058794 /nfs/dbraw/zinc/05/87/94/537058794.db2.gz BKTWNKAOCBKEKT-UHFFFAOYSA-N 0 3 363.506 1.068 20 10 FDCDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285807268 537299946 /nfs/dbraw/zinc/29/99/46/537299946.db2.gz WKNNOKUAXBRKTF-KRWDZBQOSA-N 0 3 358.486 1.286 20 10 FDCDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000285834649 537326229 /nfs/dbraw/zinc/32/62/29/537326229.db2.gz CRFBVSVIXDQXHZ-MRXNPFEDSA-N 0 3 358.486 1.526 20 10 FDCDHN CC(C)N1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000364940665 537401562 /nfs/dbraw/zinc/40/15/62/537401562.db2.gz MZQUDKJBGZOCAO-UKINESCASA-N 0 3 359.470 1.738 20 10 FDCDHN CC1CCN(CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000284227646 537403415 /nfs/dbraw/zinc/40/34/15/537403415.db2.gz KCASMVZPUSRAHQ-UHFFFAOYSA-N 0 3 372.513 1.751 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)CN(C)C)cc2F)CC1 ZINC000287906581 537448172 /nfs/dbraw/zinc/44/81/72/537448172.db2.gz ZHHNOKVDTYQRKO-HNNXBMFYSA-N 0 3 365.497 1.717 20 10 FDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363004785 537602819 /nfs/dbraw/zinc/60/28/19/537602819.db2.gz JXGYBPBLPWUGNY-SMYWTMEASA-N 0 3 371.481 1.516 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000564363787 546893753 /nfs/dbraw/zinc/89/37/53/546893753.db2.gz MARIYHWPCGHLKL-UHFFFAOYSA-N 0 3 356.470 1.657 20 10 FDCDHN C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000272241014 674424013 /nfs/dbraw/zinc/42/40/13/674424013.db2.gz XKNKHYFWHZNNDF-LBPRGKRZSA-N 0 3 369.487 1.566 20 10 FDCDHN C[C@@H]([NH2+][C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1[O-] ZINC000367780629 677495703 /nfs/dbraw/zinc/49/57/03/677495703.db2.gz DMDIALJGQMKLNF-CABCVRRESA-N 0 3 369.487 1.084 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)N2CCCC2)N(C)C)cc1 ZINC000891246544 774089590 /nfs/dbraw/zinc/08/95/90/774089590.db2.gz OZVBRTGAXCNVME-QGZVFWFLSA-N 0 3 361.490 1.277 20 10 FDCDHN CO[C@@H]1COCC[C@H]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246676 774090326 /nfs/dbraw/zinc/09/03/26/774090326.db2.gz DUARUHOHEQSWDX-YTQUADARSA-N 0 3 363.502 1.913 20 10 FDCDHN C[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247803 774099069 /nfs/dbraw/zinc/09/90/69/774099069.db2.gz VITFIFXTAHCXSJ-WMLDXEAASA-N 0 3 372.469 1.883 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCN(C)C2=O)N(C)C)cc1 ZINC000891248267 774102381 /nfs/dbraw/zinc/10/23/81/774102381.db2.gz XHVGBLSJBGXGCG-MSOLQXFVSA-N 0 3 360.502 1.730 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCN2C(=O)CCC2=O)N(C)C)cc1 ZINC000891252142 774125282 /nfs/dbraw/zinc/12/52/82/774125282.db2.gz GWDBXEPISMZPSJ-MRXNPFEDSA-N 0 3 360.458 1.011 20 10 FDCDHN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891255268 774168007 /nfs/dbraw/zinc/16/80/07/774168007.db2.gz OCDWFMRRNCSNFE-HKUYNNGSSA-N 0 3 360.502 1.730 20 10 FDCDHN COc1ccc(CNCc2cccnc2N2CCN(C)CC2)c(O)c1OC ZINC000892751273 791052239 /nfs/dbraw/zinc/05/22/39/791052239.db2.gz NFRJYXAVQDYRPR-UHFFFAOYSA-N 0 3 372.469 1.846 20 10 FDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000376165165 786587736 /nfs/dbraw/zinc/58/77/36/786587736.db2.gz HPIKIIVAOVBKGQ-CYBMUJFWSA-N 0 3 356.405 1.975 20 10 FDCDHN COCCN1CCC(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000729049276 810939968 /nfs/dbraw/zinc/93/99/68/810939968.db2.gz PHBMTQIQLWXFBV-ZDUSSCGKSA-N 0 3 351.447 1.872 20 10 FDCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000280108783 811721997 /nfs/dbraw/zinc/72/19/97/811721997.db2.gz NNYUZCQPLFQLFC-FUHWJXTLSA-N 0 3 361.486 1.674 20 10 FDCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000280108787 811722238 /nfs/dbraw/zinc/72/22/38/811722238.db2.gz NNYUZCQPLFQLFC-SJLPKXTDSA-N 0 3 361.486 1.674 20 10 FDCDHN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C1=CCN(C)CC1 ZINC000272886765 814783071 /nfs/dbraw/zinc/78/30/71/814783071.db2.gz YRJIQXCTCWEKMR-MRXNPFEDSA-N 0 3 358.486 1.973 20 10 FDCDHN COc1ccc(N2CCN(CCCNCN3CCC(=O)CC3)CC2)cc1 ZINC000273004090 814785703 /nfs/dbraw/zinc/78/57/03/814785703.db2.gz AATMPYXQCONHKB-UHFFFAOYSA-N 0 3 360.502 1.419 20 10 FDCDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ncn(C)n1 ZINC000894327889 816929894 /nfs/dbraw/zinc/92/98/94/816929894.db2.gz XEKYDAGZFLLEIB-CZUORRHYSA-N 0 3 359.478 1.544 20 10 FDCDHN CCOC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CC12COC2 ZINC000894659233 818297924 /nfs/dbraw/zinc/29/79/24/818297924.db2.gz UXFPPJLJLKYKKU-ZDUSSCGKSA-N 0 3 351.399 1.421 20 10 FDCDHN Cc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000894682786 818318543 /nfs/dbraw/zinc/31/85/43/818318543.db2.gz HGVRQNXCVZAGCV-GOSISDBHSA-N 0 3 358.490 1.897 20 10 FDCDHN O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C2)nc[n-]1 ZINC000898151707 840830449 /nfs/dbraw/zinc/83/04/49/840830449.db2.gz UETLFBFDOQFPCZ-MRXNPFEDSA-N 0 3 369.469 1.512 20 10 FDCDHN O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)nc[n-]1 ZINC000898159105 840839900 /nfs/dbraw/zinc/83/99/00/840839900.db2.gz NUXUUGLSYONCMM-INIZCTEOSA-N 0 3 355.442 1.387 20 10 FDCDHN COC[C@H]1C[C@@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097720 845761097 /nfs/dbraw/zinc/76/10/97/845761097.db2.gz FXVFPWNIPQUBOS-KURKYZTESA-N 0 3 364.490 1.147 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(=O)N(C)CC2)N(C)C)cc1 ZINC000899098812 845792557 /nfs/dbraw/zinc/79/25/57/845792557.db2.gz SKYUUVQDWVQKPB-QGZVFWFLSA-N 0 3 361.490 1.229 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@H](CF)C2)N(C)C)cc1 ZINC000899099051 845793615 /nfs/dbraw/zinc/79/36/15/845793615.db2.gz UYLSLNXHHUDDPR-SJORKVTESA-N 0 3 352.454 1.735 20 10 FDCDHN CCOCc1cc(CNC[C@@]2(OC)CCS(=O)(=O)C2)ccc1OC ZINC000922614544 878786703 /nfs/dbraw/zinc/78/67/03/878786703.db2.gz FPLDPKJPQAUQHO-KRWDZBQOSA-N 0 3 357.472 1.525 20 10 FDCDHN O=C([C@@H]1CN2CCN1CCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000764286005 904208140 /nfs/dbraw/zinc/20/81/40/904208140.db2.gz AMRNVMPGCHIONA-SFHVURJKSA-N 0 3 355.438 1.904 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000787750829 932386615 /nfs/dbraw/zinc/38/66/15/932386615.db2.gz IJERYIIEPTWDNP-JKSUJKDBSA-N 0 3 360.502 1.920 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000793901611 938334310 /nfs/dbraw/zinc/33/43/10/938334310.db2.gz MVMYVZUUSVACTQ-NVXWUHKLSA-N 0 3 374.529 1.914 20 10 FDCDHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000804732652 938556674 /nfs/dbraw/zinc/55/66/74/938556674.db2.gz WOCIJWWSLJVJLO-YOEHRIQHSA-N 0 3 358.486 1.530 20 10 FDCDHN COCCN1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805136404 938677122 /nfs/dbraw/zinc/67/71/22/938677122.db2.gz FCBRCNZLJMOCKA-ZDUSSCGKSA-N 0 3 372.263 1.675 20 10 FDCDHN O=S(=O)(NC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)C1CC1 ZINC000808225585 940530068 /nfs/dbraw/zinc/53/00/68/940530068.db2.gz RZOHJUZMBYCEDW-GFCCVEGCSA-N 0 3 368.455 1.415 20 10 FDCDHN COc1ccc(O)c(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809784504 940902148 /nfs/dbraw/zinc/90/21/48/940902148.db2.gz KZDUNMXHIYFRED-ZDUSSCGKSA-N 0 3 354.472 1.695 20 10 FDCDHN COc1cccc(O)c1CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000816625207 942268301 /nfs/dbraw/zinc/26/83/01/942268301.db2.gz WTTJIJHEHIARMC-UHFFFAOYSA-N 0 3 366.439 1.559 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3cnn(C)c3C)CC2)cc1 ZINC000819191787 943469844 /nfs/dbraw/zinc/46/98/44/943469844.db2.gz UQLCLWCWAIPDDB-IBGZPJMESA-N 0 3 373.501 1.010 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cnccc3C)CC2)cc1 ZINC000819349255 943536644 /nfs/dbraw/zinc/53/66/44/943536644.db2.gz JULIBCRZVCRDDY-HXUWFJFHSA-N 0 3 370.497 1.671 20 10 FDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000114176684 971100227 /nfs/dbraw/zinc/10/02/27/971100227.db2.gz AQFUARXQGIEGEJ-QGZVFWFLSA-N 0 3 360.502 1.511 20 10 FDCDHN Cc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000844040872 947648493 /nfs/dbraw/zinc/64/84/93/947648493.db2.gz OTULATTZYDIBFX-INIZCTEOSA-N 0 3 369.469 1.681 20 10 FDCDHN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001144507782 949733356 /nfs/dbraw/zinc/73/33/56/949733356.db2.gz CMIDAGWZHVDEPK-FABXCBLPSA-N 0 3 350.415 1.307 20 10 FDCDHN O=C(NCC1CC1)[C@@H]1Cn2nccc2CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144509769 949788630 /nfs/dbraw/zinc/78/86/30/949788630.db2.gz LDPFPMUPUYVGTA-ZDUSSCGKSA-N 0 3 372.425 1.158 20 10 FDCDHN CC(C)NC(=O)[C@H]1Cn2nccc2CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144510300 949791009 /nfs/dbraw/zinc/79/10/09/949791009.db2.gz WWUCIINGFSCMLD-GFCCVEGCSA-N 0 3 360.414 1.157 20 10 FDCDHN CN(CCN(C)C(=O)CN1C(=O)CSC1=S)Cc1ccccc1 ZINC001144850320 951218097 /nfs/dbraw/zinc/21/80/97/951218097.db2.gz QXRUZOSZZUZLLM-UHFFFAOYSA-N 0 3 351.497 1.437 20 10 FDCDHN CC(C)(C)OC(=O)N1C[C@@H](NC[C@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001171680359 961242164 /nfs/dbraw/zinc/24/21/64/961242164.db2.gz VADGQYHVERRRFK-FZMZJTMJSA-N 0 3 352.387 1.257 20 10 FDCDHN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000775259163 967025343 /nfs/dbraw/zinc/02/53/43/967025343.db2.gz GBBZFSXWPCBHCX-HNNXBMFYSA-N 0 3 357.458 1.854 20 10 FDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000775361927 967614877 /nfs/dbraw/zinc/61/48/77/967614877.db2.gz DUTRVYNCICCMHU-AVGNSLFASA-N 0 3 370.471 1.085 20 10 FDCDHN CNC(=O)[C@@H](NC(=O)CN[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775376328 967766256 /nfs/dbraw/zinc/76/62/56/967766256.db2.gz STEJWYIMKQELQY-YJYMSZOUSA-N 0 3 371.437 1.655 20 10 FDCDHN CN1CCC(NC(=S)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000853041314 967787883 /nfs/dbraw/zinc/78/78/83/967787883.db2.gz WEZCQBVAQJURBI-UHFFFAOYSA-N 0 3 362.543 1.706 20 10 FDCDHN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1O ZINC000868309515 977487363 /nfs/dbraw/zinc/48/73/63/977487363.db2.gz JSNCLQMXHNXMFV-LBPRGKRZSA-N 0 3 355.394 1.690 20 10 FDCDHN COc1ccc(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000849584075 977787952 /nfs/dbraw/zinc/78/79/52/977787952.db2.gz CFZGBYUZJCTISB-IAGOWNOFSA-N 0 3 358.442 1.486 20 10 FDCDHN C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1[O-] ZINC000109771946 978791446 /nfs/dbraw/zinc/79/14/46/978791446.db2.gz MDIUOTRVSIDYRM-UHFFFAOYSA-N 0 3 355.442 1.353 20 10 FDCDHN C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1[O-] ZINC000109771946 978791449 /nfs/dbraw/zinc/79/14/49/978791449.db2.gz MDIUOTRVSIDYRM-UHFFFAOYSA-N 0 3 355.442 1.353 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)NCCNc3ccccn3)cc2)CC1 ZINC000883074523 981924716 /nfs/dbraw/zinc/92/47/16/981924716.db2.gz AVXRWTZKNZTTAU-UHFFFAOYSA-N 0 3 368.485 1.745 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCNCCC23CCC3)cc1 ZINC000883656906 982351671 /nfs/dbraw/zinc/35/16/71/982351671.db2.gz MVTQHRMJUBWIFO-UHFFFAOYSA-N 0 3 358.486 1.456 20 10 FDCDHN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000861490405 983744691 /nfs/dbraw/zinc/74/46/91/983744691.db2.gz SYBGQZKUBUWXJB-UHFFFAOYSA-N 0 3 355.394 1.471 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](O)C13CCCC3)cc2=O ZINC000292876350 987921016 /nfs/dbraw/zinc/92/10/16/987921016.db2.gz XPPYELNEMPBGNA-CQSZACIVSA-N 0 3 360.414 1.491 20 10 FDCDHN COc1ccnc(N2CCCN(Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC000367230149 988942009 /nfs/dbraw/zinc/94/20/09/988942009.db2.gz XSVJGHACFOVCEK-UHFFFAOYSA-N 0 3 374.441 1.920 20 10 FDCDHN CCO[C@H]1C[C@](CO)(NCC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000298615163 990197965 /nfs/dbraw/zinc/19/79/65/990197965.db2.gz UERASMLGUXNFCS-FXAWDEMLSA-N 0 3 363.502 1.525 20 10 FDCDHN O[C@@H]1CCC[C@@H]1N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876687210 992795296 /nfs/dbraw/zinc/79/52/96/992795296.db2.gz GLNPYKYJBQVRSD-LEWJYISDSA-N 0 3 359.514 1.679 20 10 FDCDHN C[C@H](N[C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000374744013 992934134 /nfs/dbraw/zinc/93/41/34/992934134.db2.gz PLIMMYGYSDLHQE-FXAWDEMLSA-N 0 3 374.529 1.726 20 10 FDCDHN C[C@@H](N[C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000374744020 992934389 /nfs/dbraw/zinc/93/43/89/992934389.db2.gz PLIMMYGYSDLHQE-YLJYHZDGSA-N 0 3 374.529 1.726 20 10 FDCDHN COC[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCCN1 ZINC000876931793 992972420 /nfs/dbraw/zinc/97/24/20/992972420.db2.gz VWHUFWDWGQHHGT-JXFKEZNVSA-N 0 3 361.486 1.796 20 10 FDCDHN COC[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCN1 ZINC000876975473 992992297 /nfs/dbraw/zinc/99/22/97/992992297.db2.gz IGRXNHULVMYLCF-FQEVSTJZSA-N 0 3 361.486 1.423 20 10 FDCDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCOCC1 ZINC000877075416 993039002 /nfs/dbraw/zinc/03/90/02/993039002.db2.gz BJGUQWPNGOAJIW-LJQANCHMSA-N 0 3 361.486 1.375 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2C[C@H](O)CN2C)cc1 ZINC000924994321 995220632 /nfs/dbraw/zinc/22/06/32/995220632.db2.gz TXDGWKJZGKYSQV-UXHICEINSA-N 0 3 369.465 1.630 20 10 FDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CNCCO3)cc2F)C[C@@H](C)O1 ZINC000269252774 999466029 /nfs/dbraw/zinc/46/60/29/999466029.db2.gz QLYHKIMUIOXKEC-IIAWOOMASA-N 0 3 365.449 1.434 20 10 FDCDHN COc1ccc(C(=O)NCCN2CCN(Cc3ccccc3O)CC2)cc1 ZINC000076901554 1002783115 /nfs/dbraw/zinc/78/31/15/1002783115.db2.gz MGGGUJPUVDZJPI-UHFFFAOYSA-N 0 3 369.465 1.948 20 10 FDCDHN C[C@H](NC[C@@H]1CN=C(c2cnn(C)c2)O1)c1ccc(N2CCOCC2)cc1 ZINC000930209143 1002929279 /nfs/dbraw/zinc/92/92/79/1002929279.db2.gz AZTZSGZYAQTMLK-HNAYVOBHSA-N 0 3 369.469 1.753 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2COCCO2)N(C)C)cc1 ZINC000892191882 782112333 /nfs/dbraw/zinc/11/23/33/782112333.db2.gz OFQWZTQSNXHFNI-SJORKVTESA-N 0 3 350.463 1.070 20 10 FDCDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[N@@H+]1C ZINC000271395184 674339919 /nfs/dbraw/zinc/33/99/19/674339919.db2.gz MQASZMLBQNUNON-AAEUAGOBSA-N 0 3 355.460 1.318 20 10 FDCDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC[N@H+]1C ZINC000271395184 674339920 /nfs/dbraw/zinc/33/99/20/674339920.db2.gz MQASZMLBQNUNON-AAEUAGOBSA-N 0 3 355.460 1.318 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](c3ncc[nH]3)C1)cc2=O ZINC000080973899 523923456 /nfs/dbraw/zinc/92/34/56/523923456.db2.gz GFCSIAUJNKRRQF-GFCCVEGCSA-N 0 3 370.413 1.714 20 10 FDCDHN CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000105160684 525471110 /nfs/dbraw/zinc/47/11/10/525471110.db2.gz VYJIFSAEPCHZSI-MRXNPFEDSA-N 0 3 364.465 1.898 20 10 FDCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000268145298 537011530 /nfs/dbraw/zinc/01/15/30/537011530.db2.gz SKLKYTZUTRMMPT-DNVCBOLYSA-N 0 3 358.486 1.805 20 10 FDCDHN CCC[C@](C)(N)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000269313258 537019316 /nfs/dbraw/zinc/01/93/16/537019316.db2.gz XUEYNGMFXJQDRG-FQEVSTJZSA-N 0 3 362.518 1.841 20 10 FDCDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000285794184 537289479 /nfs/dbraw/zinc/28/94/79/537289479.db2.gz UZOZUIJAFMWEFE-CRAIPNDOSA-N 0 3 372.513 1.626 20 10 FDCDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000288426132 537499422 /nfs/dbraw/zinc/49/94/22/537499422.db2.gz DDUFKTYRFASXDC-APWZRJJASA-N 0 3 370.497 1.620 20 10 FDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000299259960 537519482 /nfs/dbraw/zinc/51/94/82/537519482.db2.gz FEVKKKCPUMMIPQ-QWHCGFSZSA-N 0 3 350.415 1.484 20 10 FDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000299259960 537519488 /nfs/dbraw/zinc/51/94/88/537519488.db2.gz FEVKKKCPUMMIPQ-QWHCGFSZSA-N 0 3 350.415 1.484 20 10 FDCDHN COCCNCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237231951 537618026 /nfs/dbraw/zinc/61/80/26/537618026.db2.gz PHDLLFNNHLLWMS-ZDUSSCGKSA-N 0 3 357.401 1.609 20 10 FDCDHN C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1=CCN(C)CC1 ZINC000285590974 537734959 /nfs/dbraw/zinc/73/49/59/537734959.db2.gz ASDQGKOREAZBKL-HNNXBMFYSA-N 0 3 370.497 1.452 20 10 FDCDHN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000368037351 537973301 /nfs/dbraw/zinc/97/33/01/537973301.db2.gz JHRNJYRNOYSVCJ-UXILZDJPSA-N 0 3 359.470 1.595 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000563838433 546703875 /nfs/dbraw/zinc/70/38/75/546703875.db2.gz WDFLZTVYDUPJPM-GDBMZVCRSA-N 0 3 368.481 1.798 20 10 FDCDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000575017430 550409685 /nfs/dbraw/zinc/40/96/85/550409685.db2.gz XJEONMAIZSJIIS-HNNXBMFYSA-N 0 3 356.470 1.703 20 10 FDCDHN COc1c(O)c(CN2CCN(CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278321399 675121716 /nfs/dbraw/zinc/12/17/16/675121716.db2.gz YCRKTTIGKGUFGE-UHFFFAOYSA-N 0 3 353.419 1.852 20 10 FDCDHN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[NH+]1CCC(C)CC1 ZINC000299489552 676536989 /nfs/dbraw/zinc/53/69/89/676536989.db2.gz FOWXEIFDFDHZLL-CYBMUJFWSA-N 0 3 369.487 1.614 20 10 FDCDHN COCCn1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891245243 774078725 /nfs/dbraw/zinc/07/87/25/774078725.db2.gz BBYUVGZZJASFNH-IBGZPJMESA-N 0 3 373.501 1.937 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc3n2CCOC3)N(C)C)cc1 ZINC000891245892 774083339 /nfs/dbraw/zinc/08/33/39/774083339.db2.gz KCWBUHNHBOYMFK-INIZCTEOSA-N 0 3 357.458 1.512 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\CN2CCOCC2)N(C)C)cc1 ZINC000891248367 774096030 /nfs/dbraw/zinc/09/60/30/774096030.db2.gz LTPABYCFQJUUAR-VOFKWLDRSA-N 0 3 360.502 1.360 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)OC(C)(C)C)N(C)C)cc1 ZINC000891255486 774169982 /nfs/dbraw/zinc/16/99/82/774169982.db2.gz QIFBPWAWCUWRRD-INIZCTEOSA-N 0 3 364.490 1.996 20 10 FDCDHN C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255746 774170516 /nfs/dbraw/zinc/17/05/16/774170516.db2.gz RSIKCRSYAQLIDR-KBXCAEBGSA-N 0 3 372.469 1.883 20 10 FDCDHN CC(C)C(=O)NCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891562485 778336835 /nfs/dbraw/zinc/33/68/35/778336835.db2.gz UFFMSRHGUGTBEU-QGZVFWFLSA-N 0 3 363.506 1.427 20 10 FDCDHN COCCO[C@H]1C[C@H](CO)CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894076892 809897577 /nfs/dbraw/zinc/89/75/77/809897577.db2.gz RAFNMKXUUBHRTD-ZFWWWQNUSA-N 0 3 355.431 1.255 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2COC(C)(C)OC2)N(C)C)cc1 ZINC000894179551 810844369 /nfs/dbraw/zinc/84/43/69/810844369.db2.gz YVLOSKWQQCIJIB-QGZVFWFLSA-N 0 3 364.490 1.806 20 10 FDCDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1(F)F ZINC000894193354 810865671 /nfs/dbraw/zinc/86/56/71/810865671.db2.gz PMVLSUJWEHJHON-WFASDCNBSA-N 0 3 358.360 1.806 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419710745 812101732 /nfs/dbraw/zinc/10/17/32/812101732.db2.gz RBLUQNONJOHDQN-DZGCQCFKSA-N 0 3 372.469 1.332 20 10 FDCDHN C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2ncnn21 ZINC000895660874 822688245 /nfs/dbraw/zinc/68/82/45/822688245.db2.gz ZJMHGTTYDMVGJO-KBRIMQKVSA-N 0 3 371.489 1.952 20 10 FDCDHN CCn1ncc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000895943715 823796938 /nfs/dbraw/zinc/79/69/38/823796938.db2.gz OHIOZKZBCNMKSU-KRWDZBQOSA-N 0 3 359.478 1.466 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@@H]2CNC(=O)C2)N(C)C)cc1 ZINC000896689786 824796418 /nfs/dbraw/zinc/79/64/18/824796418.db2.gz IYOOWRFDAMPWOB-YOEHRIQHSA-N 0 3 361.490 1.181 20 10 FDCDHN CN1CCN(CC2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)CC1 ZINC000897840681 840494143 /nfs/dbraw/zinc/49/41/43/840494143.db2.gz IBXABFNIBLJWFM-UHFFFAOYSA-N 0 3 361.467 1.632 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)N(C)C)cc1 ZINC000897903935 840565238 /nfs/dbraw/zinc/56/52/38/840565238.db2.gz KPRHDUBOIUZNKJ-LHIBYTEYSA-N 0 3 358.486 1.830 20 10 FDCDHN COC[C@H]1COCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095945 845756923 /nfs/dbraw/zinc/75/69/23/845756923.db2.gz NRZQFLIINNJQJY-ROUUACIJSA-N 0 3 364.490 1.412 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(F)(F)C[C@H]2CO)N(C)C)cc1 ZINC000899102061 845774500 /nfs/dbraw/zinc/77/45/00/845774500.db2.gz JVUQHTRRKFKSLP-HOTGVXAUSA-N 0 3 370.444 1.767 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)c2cnn(C)c2)N(C)C)cc1 ZINC000899102606 845775619 /nfs/dbraw/zinc/77/56/19/845775619.db2.gz RGSLSMZJLCRHAP-MSOLQXFVSA-N 0 3 374.489 1.122 20 10 FDCDHN COCCN(CCF)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098421 845791675 /nfs/dbraw/zinc/79/16/75/845791675.db2.gz NSNQQINRHQKFBR-QGZVFWFLSA-N 0 3 354.470 1.983 20 10 FDCDHN CC(C)N(C[C@H](O)CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098660 845792647 /nfs/dbraw/zinc/79/26/47/845792647.db2.gz QRPRTHCLFOGICG-ZWKOTPCHSA-N 0 3 366.506 1.129 20 10 FDCDHN CCC[C@H](O)[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098814 845792943 /nfs/dbraw/zinc/79/29/43/845792943.db2.gz SMSHMHDRNRXRPF-KSZLIROESA-N 0 3 366.506 1.176 20 10 FDCDHN C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100600 845797778 /nfs/dbraw/zinc/79/77/78/845797778.db2.gz AYTGZBISTMGXGW-PBHICJAKSA-N 0 3 361.490 1.227 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=S)NC[C@@H]2CCOC2)N(C)C)cc1 ZINC000899724267 846625597 /nfs/dbraw/zinc/62/55/97/846625597.db2.gz LLOQNEADXWQNKH-YOEHRIQHSA-N 0 3 350.532 1.856 20 10 FDCDHN CN1CCN(c2ccc(CN3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764679715 905360535 /nfs/dbraw/zinc/36/05/35/905360535.db2.gz UULOIMLUZLWAGR-GOSISDBHSA-N 0 3 351.516 1.447 20 10 FDCDHN CN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000732452476 919597772 /nfs/dbraw/zinc/59/77/72/919597772.db2.gz CELUSAIMDDILMC-IBGZPJMESA-N 0 3 358.486 1.901 20 10 FDCDHN N[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCOCC1 ZINC000282588383 922182352 /nfs/dbraw/zinc/18/23/52/922182352.db2.gz IJPNKEGVTPQRFZ-LJQANCHMSA-N 0 3 361.486 1.265 20 10 FDCDHN COC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000787280241 932242134 /nfs/dbraw/zinc/24/21/34/932242134.db2.gz TZQJJTNYSNGBQQ-NSHDSACASA-N 0 3 359.382 1.872 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NCCN(C)C2CC2)cc1F ZINC000793940009 938348436 /nfs/dbraw/zinc/34/84/36/938348436.db2.gz YFPDYFNXXJDQGR-UHFFFAOYSA-N 0 3 364.465 1.499 20 10 FDCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000806329956 939901063 /nfs/dbraw/zinc/90/10/63/939901063.db2.gz IJUQYFIPSYSSEF-DOTOQJQBSA-N 0 3 360.502 1.920 20 10 FDCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000806329961 939901104 /nfs/dbraw/zinc/90/11/04/939901104.db2.gz IJUQYFIPSYSSEF-WBVHZDCISA-N 0 3 360.502 1.920 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000809709453 940889841 /nfs/dbraw/zinc/88/98/41/940889841.db2.gz FJTPASWVIDDCKP-CYBMUJFWSA-N 0 3 362.879 1.958 20 10 FDCDHN COc1cc([O-])c(CN2CCCC[C@@](O)(C[NH3+])C2)cc1Br ZINC001205690960 970806815 /nfs/dbraw/zinc/80/68/15/970806815.db2.gz ZJPLHAYAKPQDMI-OAHLLOKOSA-N 0 3 359.264 1.839 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3cccc(C)n3)CC2)cc1 ZINC000818965110 943346462 /nfs/dbraw/zinc/34/64/62/943346462.db2.gz DPGAURFDEOLGKH-HXUWFJFHSA-N 0 3 370.497 1.671 20 10 FDCDHN CC(C)COC[C@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819360282 943541822 /nfs/dbraw/zinc/54/18/22/943541822.db2.gz KZRWVMLKPCHKGX-OAHLLOKOSA-N 0 3 358.429 1.925 20 10 FDCDHN CN(C)c1ncc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1C ZINC000822470379 945015187 /nfs/dbraw/zinc/01/51/87/945015187.db2.gz NZGCQSFJPQOSSC-MRXNPFEDSA-N 0 3 370.501 1.478 20 10 FDCDHN CCN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN(C)C1 ZINC000823520766 945826796 /nfs/dbraw/zinc/82/67/96/945826796.db2.gz YVMSWUVORYBHPJ-SFHVURJKSA-N 0 3 360.502 1.883 20 10 FDCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)cc2)Cc2ccccc2C1 ZINC000844171424 947814306 /nfs/dbraw/zinc/81/43/06/947814306.db2.gz TVCRVAXLXIPNLE-UHFFFAOYSA-N 0 3 351.450 1.636 20 10 FDCDHN Cc1c2ccccc2n(C)c1CN[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001177896445 964014176 /nfs/dbraw/zinc/01/41/76/964014176.db2.gz CFDYVCXTMULUIP-QGZVFWFLSA-N 0 3 370.497 1.509 20 10 FDCDHN C[C@H](NCC(=O)NCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000775254417 966992054 /nfs/dbraw/zinc/99/20/54/966992054.db2.gz ISOXPOFSOKHPTO-INIZCTEOSA-N 0 3 354.454 1.885 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC000852668720 967520023 /nfs/dbraw/zinc/52/00/23/967520023.db2.gz GFQIPBTXIRHITH-IRXDYDNUSA-N 0 3 359.470 1.312 20 10 FDCDHN CCOC(=O)N1CCN(C(=O)CN[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000775369798 967716017 /nfs/dbraw/zinc/71/60/17/967716017.db2.gz IFZKVARDSRLRJM-ZDUSSCGKSA-N 0 3 365.430 1.352 20 10 FDCDHN C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(O)c([O-])c1Cl ZINC001193225992 969594696 /nfs/dbraw/zinc/59/46/96/969594696.db2.gz VIRYSODZIILXPB-QWHCGFSZSA-N 0 3 353.850 1.602 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNCCS(=O)(=O)N1CCOCC1 ZINC001200267622 974738168 /nfs/dbraw/zinc/73/81/68/974738168.db2.gz IKXPPMBEDYCZLZ-UHFFFAOYSA-N 0 3 351.472 1.238 20 10 FDCDHN CN(C)CCCS(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000866430426 975646322 /nfs/dbraw/zinc/64/63/22/975646322.db2.gz RJNHEISDEYSTRV-UHFFFAOYSA-N 0 3 355.504 1.237 20 10 FDCDHN CN(C)CCCS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866827845 976123929 /nfs/dbraw/zinc/12/39/29/976123929.db2.gz BLGJGBIKQMZBHZ-MRXNPFEDSA-N 0 3 356.488 1.655 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848929386 977241680 /nfs/dbraw/zinc/24/16/80/977241680.db2.gz FZLSYUILZXKGLD-MSOLQXFVSA-N 0 3 358.486 1.502 20 10 FDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c1 ZINC000851899729 979173997 /nfs/dbraw/zinc/17/39/97/979173997.db2.gz DQNFSAKVSXPIOL-DOMZBBRYSA-N 0 3 364.442 1.994 20 10 FDCDHN COCCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852126543 979369258 /nfs/dbraw/zinc/36/92/58/979369258.db2.gz CWQRWRIDTMQHTM-CVEARBPZSA-N 0 3 362.474 1.294 20 10 FDCDHN COc1ccc(N2CCN(C(=O)Cn3cc([C@@H](N)C(C)C)nn3)CC2)cc1 ZINC000881023964 979591730 /nfs/dbraw/zinc/59/17/30/979591730.db2.gz TYTLLKFZRBILDH-IBGZPJMESA-N 0 3 372.473 1.291 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)c3cc(=O)[nH]c(C4CC4)n3)cc2)CC1 ZINC000881852936 980216537 /nfs/dbraw/zinc/21/65/37/980216537.db2.gz GVBGALCTQCSSHV-UHFFFAOYSA-N 0 3 367.453 1.741 20 10 FDCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000862144207 984154082 /nfs/dbraw/zinc/15/40/82/984154082.db2.gz TYJROKWOCOVFFM-VQTJNVASSA-N 0 3 367.449 1.798 20 10 FDCDHN C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000862792659 984537417 /nfs/dbraw/zinc/53/74/17/984537417.db2.gz BRTJCYFRFZALLE-GFCCVEGCSA-N 0 3 355.460 1.225 20 10 FDCDHN C[N@H+]1CCCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000862792659 984537423 /nfs/dbraw/zinc/53/74/23/984537423.db2.gz BRTJCYFRFZALLE-GFCCVEGCSA-N 0 3 355.460 1.225 20 10 FDCDHN CN(C)c1ncc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1C ZINC000886324725 986070397 /nfs/dbraw/zinc/07/03/97/986070397.db2.gz FADRBFNWGBEFSO-UHFFFAOYSA-N 0 3 370.501 1.478 20 10 FDCDHN COc1ccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)cc1Cn1cccn1 ZINC000873126579 988592985 /nfs/dbraw/zinc/59/29/85/988592985.db2.gz UWBVJVQGSYMOBV-AWEZNQCLSA-N 0 3 363.483 1.995 20 10 FDCDHN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCN(CCCO)C3)ccc21 ZINC000297200757 989494470 /nfs/dbraw/zinc/49/44/70/989494470.db2.gz LODKARQZGYXJEJ-GOSISDBHSA-N 0 3 360.502 1.715 20 10 FDCDHN CN1CCc2cc(CNCc3cnc(N4CCN(C)CC4)nc3)ccc21 ZINC000364443329 989570998 /nfs/dbraw/zinc/57/09/98/989570998.db2.gz KRDREEMBCPVTEA-UHFFFAOYSA-N 0 3 352.486 1.511 20 10 FDCDHN CCN1CC[C@H]2OCCN(CC(=O)NCc3ccc(N(C)C)cc3)[C@H]2C1 ZINC000298544488 990151125 /nfs/dbraw/zinc/15/11/25/990151125.db2.gz XWBBDOUNCLRNST-RBUKOAKNSA-N 0 3 360.502 1.164 20 10 FDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365511885 990259939 /nfs/dbraw/zinc/25/99/39/990259939.db2.gz UYKXFDWBYDALBY-MOPGFXCFSA-N 0 3 356.470 1.725 20 10 FDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000371314230 990353917 /nfs/dbraw/zinc/35/39/17/990353917.db2.gz RCRQINBWUPJLBQ-HKUYNNGSSA-N 0 3 372.513 1.702 20 10 FDCDHN CN(C)C(=O)CCN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876773621 992898731 /nfs/dbraw/zinc/89/87/31/992898731.db2.gz BXUWSQWUJDIHDW-UHFFFAOYSA-N 0 3 374.529 1.244 20 10 FDCDHN CCn1ncnc1CNCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000876900888 992958917 /nfs/dbraw/zinc/95/89/17/992958917.db2.gz SWTVUKCATZQDMP-UHFFFAOYSA-N 0 3 358.490 1.609 20 10 FDCDHN COc1cc(N2CCN(C[C@]3(OC)CCOC3)CC2)cc(OC)c1OC ZINC000877346063 993234280 /nfs/dbraw/zinc/23/42/80/993234280.db2.gz NURJBBYFWSETNG-LJQANCHMSA-N 0 3 366.458 1.640 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1[O-] ZINC000877719436 993471998 /nfs/dbraw/zinc/47/19/98/993471998.db2.gz BTOHFOBIOIRLIC-TXEJJXNPSA-N 0 3 353.216 1.510 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1[O-] ZINC000877719436 993472006 /nfs/dbraw/zinc/47/20/06/993472006.db2.gz BTOHFOBIOIRLIC-TXEJJXNPSA-N 0 3 353.216 1.510 20 10 FDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCN1C ZINC000924047126 994342171 /nfs/dbraw/zinc/34/21/71/994342171.db2.gz RGKQPMHAUXTOFN-RDTXWAMCSA-N 0 3 373.501 1.280 20 10 FDCDHN CN(CCN1C(=O)c2ccccc2C1=O)Cc1cc2c(cc1O)OCO2 ZINC000270016800 999501236 /nfs/dbraw/zinc/50/12/36/999501236.db2.gz NJGVNHHVFOJAEL-UHFFFAOYSA-N 0 3 354.362 1.849 20 10 FDCDHN CC(C)[C@H](C)N(C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000934314848 1005731668 /nfs/dbraw/zinc/73/16/68/1005731668.db2.gz YDJWPQZIUYTMPB-MAUKXSAKSA-N 0 3 362.518 1.974 20 10 FDCDHN CC(C)N(C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000934316896 1005731835 /nfs/dbraw/zinc/73/18/35/1005731835.db2.gz BVVISMDIJYPGMU-GOSISDBHSA-N 0 3 360.502 1.871 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1[O-] ZINC000795584291 1007040502 /nfs/dbraw/zinc/04/05/02/1007040502.db2.gz PGYIJXGBKWBIML-JQWIXIFHSA-N 0 3 360.248 1.898 20 10 FDCDHN COc1cc(O)c(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1OC ZINC000795655025 1007393472 /nfs/dbraw/zinc/39/34/72/1007393472.db2.gz QRAQDLHVTUTGGR-CYBMUJFWSA-N 0 3 372.487 1.513 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000556064144 544084833 /nfs/dbraw/zinc/08/48/33/544084833.db2.gz WEHZBEAXKUDREQ-UHFFFAOYSA-N 0 3 370.497 1.951 20 10 FDCDHN CCCOc1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c([O-])c1 ZINC000271055412 674303158 /nfs/dbraw/zinc/30/31/58/674303158.db2.gz SRZPGSALSSOTQC-UHFFFAOYSA-N 0 3 350.459 1.892 20 10 FDCDHN Cc1cc(C(=O)NC2CCN(Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000052084263 523114713 /nfs/dbraw/zinc/11/47/13/523114713.db2.gz YLFFLXRVLDYIFB-UHFFFAOYSA-N 0 3 359.382 1.812 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)NCC2(O)CCN(C)CC2)cc1F ZINC000077825020 523480149 /nfs/dbraw/zinc/48/01/49/523480149.db2.gz AAPGKCCPKANYEB-UHFFFAOYSA-N 0 3 366.481 1.928 20 10 FDCDHN COCCN(C)CCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084880706 524336079 /nfs/dbraw/zinc/33/60/79/524336079.db2.gz VJVZTIBNFMTKEE-UHFFFAOYSA-N 0 3 368.453 1.244 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000151682037 524652779 /nfs/dbraw/zinc/65/27/79/524652779.db2.gz XDSXHKHWYPMKDR-UHFFFAOYSA-N 0 3 371.485 1.598 20 10 FDCDHN C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000160972626 525006478 /nfs/dbraw/zinc/00/64/78/525006478.db2.gz XAMCWASJIZNQOY-CQSZACIVSA-N 0 3 354.454 1.819 20 10 FDCDHN CC(=O)c1cc(F)cc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1O ZINC000162633173 525289145 /nfs/dbraw/zinc/28/91/45/525289145.db2.gz GSEDNNPCDBMQQQ-QGZVFWFLSA-N 0 3 363.433 1.472 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3[C@@H](C)O)CC2)cc1 ZINC000170956559 525784079 /nfs/dbraw/zinc/78/40/79/525784079.db2.gz FDUJKFCWHWOZDH-APWZRJJASA-N 0 3 361.486 1.579 20 10 FDCDHN COC(=O)Cn1cc(CCN2CCCN(c3ccc(OC)cc3)CC2)nn1 ZINC000156267707 526094890 /nfs/dbraw/zinc/09/48/90/526094890.db2.gz RAEBRKZNQFXVID-UHFFFAOYSA-N 0 3 373.457 1.215 20 10 FDCDHN COC[C@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000171997069 526202152 /nfs/dbraw/zinc/20/21/52/526202152.db2.gz JBZSTFDMUJXKAF-KRWDZBQOSA-N 0 3 361.486 1.702 20 10 FDCDHN C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000183461077 535985305 /nfs/dbraw/zinc/98/53/05/535985305.db2.gz ORHMIJHXXZGGSJ-LBPRGKRZSA-N 0 3 365.411 1.930 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCC1CCOCC1)cc2=O ZINC000268162233 537011770 /nfs/dbraw/zinc/01/17/70/537011770.db2.gz JTHLNUJNAIHAID-UHFFFAOYSA-N 0 3 362.430 1.860 20 10 FDCDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000268145302 537012041 /nfs/dbraw/zinc/01/20/41/537012041.db2.gz SKLKYTZUTRMMPT-HNAYVOBHSA-N 0 3 358.486 1.805 20 10 FDCDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000288426148 537498488 /nfs/dbraw/zinc/49/84/88/537498488.db2.gz DDUFKTYRFASXDC-VQIMIIECSA-N 0 3 370.497 1.620 20 10 FDCDHN CCCOc1ccc(CN2CCC(NS(=O)(=O)NC)CC2)c(O)c1 ZINC000291644273 537651741 /nfs/dbraw/zinc/65/17/41/537651741.db2.gz UAXQRBWSLJNZSI-UHFFFAOYSA-N 0 3 357.476 1.199 20 10 FDCDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000285584759 537733388 /nfs/dbraw/zinc/73/33/88/537733388.db2.gz UGTSIZNPRCTQEK-YPMHNXCESA-N 0 3 356.444 1.319 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3OCCC[C@@H]3C1)cc2=O ZINC000377140143 537957372 /nfs/dbraw/zinc/95/73/72/537957372.db2.gz BNFGUJMGDNCMGE-DOMZBBRYSA-N 0 3 360.414 1.613 20 10 FDCDHN CN(C)c1ccc(CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000372813017 538038463 /nfs/dbraw/zinc/03/84/63/538038463.db2.gz SDASYJXLHKHZNP-INIZCTEOSA-N 0 3 369.506 1.633 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000561999572 546006255 /nfs/dbraw/zinc/00/62/55/546006255.db2.gz PDLTXOCRWXWHBL-DZGCQCFKSA-N 0 3 356.470 1.702 20 10 FDCDHN CCn1ccnc(N2CCC(NCc3ccc4c(c3)CCO4)CC2)c1=O ZINC000328640753 571325661 /nfs/dbraw/zinc/32/56/61/571325661.db2.gz QDUKFZXCTQCGGR-UHFFFAOYSA-N 0 3 354.454 1.957 20 10 FDCDHN CS[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1N(C)C ZINC000271998802 674404282 /nfs/dbraw/zinc/40/42/82/674404282.db2.gz HSBXKRKYRUGEKL-DLBZAZTESA-N 0 3 350.532 1.346 20 10 FDCDHN CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000275885739 674658266 /nfs/dbraw/zinc/65/82/66/674658266.db2.gz OUVMRVYBILBIOS-UHFFFAOYSA-N 0 3 355.460 1.320 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000121043124 671699137 /nfs/dbraw/zinc/69/91/37/671699137.db2.gz DXBZLDUYBLJQSJ-QZTJIDSGSA-N 0 3 350.459 1.066 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000121043124 671699140 /nfs/dbraw/zinc/69/91/40/671699140.db2.gz DXBZLDUYBLJQSJ-QZTJIDSGSA-N 0 3 350.459 1.066 20 10 FDCDHN CCN(C1CCN(Cc2cc(C)cc(OC)c2O)CC1)S(C)(=O)=O ZINC000164314256 672028018 /nfs/dbraw/zinc/02/80/18/672028018.db2.gz LWYOCFNTKSJRRB-UHFFFAOYSA-N 0 3 356.488 1.955 20 10 FDCDHN CN(CCCN1CCN(C)CC1)C(=O)NCCCSc1nccs1 ZINC000183288191 672226930 /nfs/dbraw/zinc/22/69/30/672226930.db2.gz ZXTAUCRTFVVEGW-UHFFFAOYSA-N 0 3 371.576 1.904 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000192167915 672351386 /nfs/dbraw/zinc/35/13/86/672351386.db2.gz DUPMJFCTLHIKLC-KRWDZBQOSA-N 0 3 370.515 1.881 20 10 FDCDHN CCCN(CCC)c1ccc(CNC[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC000294902547 676398373 /nfs/dbraw/zinc/39/83/73/676398373.db2.gz XIZPWNXKDXDGLS-GOSISDBHSA-N 0 3 354.516 1.952 20 10 FDCDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296331485 676417884 /nfs/dbraw/zinc/41/78/84/676417884.db2.gz HIIXNSVZFKTTGP-ZFWWWQNUSA-N 0 3 373.494 1.641 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366484683 677445365 /nfs/dbraw/zinc/44/53/65/677445365.db2.gz ULIAOOQGWXDQGW-NEPJUHHUSA-N 0 3 353.216 1.558 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366484683 677445366 /nfs/dbraw/zinc/44/53/66/677445366.db2.gz ULIAOOQGWXDQGW-NEPJUHHUSA-N 0 3 353.216 1.558 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C2/SCC(=O)N2C)N(C)C)cc1 ZINC000891247333 774093262 /nfs/dbraw/zinc/09/32/62/774093262.db2.gz UGPAQWSWWCPBAA-BFERYNQYSA-N 0 3 362.499 1.518 20 10 FDCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ncc1C(N)=O ZINC000891250152 774120985 /nfs/dbraw/zinc/12/09/85/774120985.db2.gz UYHQWNWXOZWGIF-SFHVURJKSA-N 0 3 369.469 1.588 20 10 FDCDHN C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255748 774170408 /nfs/dbraw/zinc/17/04/08/774170408.db2.gz RSIKCRSYAQLIDR-KDOFPFPSSA-N 0 3 372.469 1.883 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)CN2CCCCCC2=O)N(C)C)cc1 ZINC000891257593 774173224 /nfs/dbraw/zinc/17/32/24/774173224.db2.gz IXBSBFZHRQIMQW-GOSISDBHSA-N 0 3 360.502 1.874 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCn2ccnc2)N(C)C)cc1 ZINC000891428901 777068939 /nfs/dbraw/zinc/06/89/39/777068939.db2.gz GTACGDOTCXDRGT-GOSISDBHSA-N 0 3 358.490 1.941 20 10 FDCDHN CCCOc1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c([O-])c1 ZINC000364102388 795174679 /nfs/dbraw/zinc/17/46/79/795174679.db2.gz IMGZSNBDZYEHLU-UHFFFAOYSA-N 0 3 361.486 1.919 20 10 FDCDHN COC(=O)c1c(CNC[C@H]2CCS(=O)(=O)C2)c2cc(F)ccc2n1C ZINC000894164653 810653902 /nfs/dbraw/zinc/65/39/02/810653902.db2.gz IXLRSIUOKGJCCY-LLVKDONJSA-N 0 3 368.430 1.628 20 10 FDCDHN COc1cc(C)cc(CNC[C@H](O)CS(=O)(=O)c2cccs2)c1O ZINC000894354780 817564631 /nfs/dbraw/zinc/56/46/31/817564631.db2.gz OBVXCGXQUNXNQN-ZDUSSCGKSA-N 0 3 371.480 1.695 20 10 FDCDHN COc1cc(C)cc(CNCc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000894556182 818176664 /nfs/dbraw/zinc/17/66/64/818176664.db2.gz VWCZPIOFDKXMAZ-UHFFFAOYSA-N 0 3 365.451 1.765 20 10 FDCDHN CCN1CC[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000894678375 818301238 /nfs/dbraw/zinc/30/12/38/818301238.db2.gz HJEWPGKJCBIQIP-SJORKVTESA-N 0 3 361.490 1.275 20 10 FDCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894844277 818794293 /nfs/dbraw/zinc/79/42/93/818794293.db2.gz YLGOMQQSPPJVJT-TZMCWYRMSA-N 0 3 374.453 1.714 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCn3ccnc32)N(C)C)cc1 ZINC000895076835 819982317 /nfs/dbraw/zinc/98/23/17/819982317.db2.gz DRJCYRZVQFYJSE-SJORKVTESA-N 0 3 356.474 1.996 20 10 FDCDHN C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2ncnn21 ZINC000895660875 822688097 /nfs/dbraw/zinc/68/80/97/822688097.db2.gz ZJMHGTTYDMVGJO-XOKHGSTOSA-N 0 3 371.489 1.952 20 10 FDCDHN COC(=O)[C@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895899079 823733822 /nfs/dbraw/zinc/73/38/22/823733822.db2.gz DNKNZGSDHWFNLH-BFYDXBDKSA-N 0 3 362.474 1.606 20 10 FDCDHN O=C1NC[C@H](O)CC12CCN(Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000897045172 826812315 /nfs/dbraw/zinc/81/23/15/826812315.db2.gz GRAUBQRAKORYME-LJQANCHMSA-N 0 3 373.497 1.111 20 10 FDCDHN CN(C)C(=O)CCN1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000760415183 839934725 /nfs/dbraw/zinc/93/47/25/839934725.db2.gz SKMXOKXAKSNYAQ-UHFFFAOYSA-N 0 3 363.502 1.991 20 10 FDCDHN CCOC(=O)N1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@@H](CO)C1 ZINC000898354732 840990236 /nfs/dbraw/zinc/99/02/36/840990236.db2.gz UDODFYKYYNJCPC-YPMHNXCESA-N 0 3 358.822 1.593 20 10 FDCDHN COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1c(C)cccc1[O-])CCS2(=O)=O ZINC000898486413 844774265 /nfs/dbraw/zinc/77/42/65/844774265.db2.gz CWNWYEADUOPRDO-TXKKKEFDSA-N 0 3 367.467 1.689 20 10 FDCDHN Cc1noc(CN(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000899098508 845791421 /nfs/dbraw/zinc/79/14/21/845791421.db2.gz PDMNUPIXHWXSMA-MRXNPFEDSA-N 0 3 360.462 1.888 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCN(C)CC(F)F)N(C)C)cc1 ZINC000899099143 845793738 /nfs/dbraw/zinc/79/37/38/845793738.db2.gz VYWSOFUQPYUUNK-MRXNPFEDSA-N 0 3 371.476 1.851 20 10 FDCDHN NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cc2)CC1 ZINC000899472811 846276259 /nfs/dbraw/zinc/27/62/59/846276259.db2.gz KSLJMPMGVWELFJ-IBGZPJMESA-N 0 3 370.497 1.631 20 10 FDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCN1C ZINC000914291322 872240754 /nfs/dbraw/zinc/24/07/54/872240754.db2.gz JSRPWXXPBRTNNM-HFTRVMKXSA-N 0 3 373.501 1.280 20 10 FDCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCN2C2CCOCC2)cc1F ZINC000915367037 876160085 /nfs/dbraw/zinc/16/00/85/876160085.db2.gz UZPJTTLVNAONKA-MRXNPFEDSA-N 0 3 364.465 1.944 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccnn2C)c1[O-] ZINC000922972042 887635424 /nfs/dbraw/zinc/63/54/24/887635424.db2.gz DLHMNQOWBXVAED-GFCCVEGCSA-N 0 3 356.220 1.720 20 10 FDCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785424559 902710953 /nfs/dbraw/zinc/71/09/53/902710953.db2.gz PVNJRUVWVIYAMI-KRWDZBQOSA-N 0 3 360.502 1.750 20 10 FDCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ncccn1 ZINC000112536854 903537223 /nfs/dbraw/zinc/53/72/23/903537223.db2.gz FYLDZHKGULYXAE-HUUCEWRRSA-N 0 3 355.442 1.991 20 10 FDCDHN COCCN(C)CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000727032929 907010231 /nfs/dbraw/zinc/01/02/31/907010231.db2.gz NGKQAVAVCDXBOY-INIZCTEOSA-N 0 3 364.490 1.462 20 10 FDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cnn(CCF)c3)cc2)C1 ZINC000921571749 908443112 /nfs/dbraw/zinc/44/31/12/908443112.db2.gz CQUPLSKSDHAIKN-KRWDZBQOSA-N 0 3 359.449 1.844 20 10 FDCDHN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NCc1cnn(C)c1 ZINC001082953395 911091195 /nfs/dbraw/zinc/09/11/95/911091195.db2.gz CTEQQPHZCOESFX-MLGOLLRUSA-N 0 3 369.429 1.833 20 10 FDCDHN CC(C)CN(CC[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769777920 929654850 /nfs/dbraw/zinc/65/48/50/929654850.db2.gz KBPHVVVXSOLOGR-UHFFFAOYSA-N 0 3 357.476 1.424 20 10 FDCDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C ZINC000769910421 929732120 /nfs/dbraw/zinc/73/21/20/929732120.db2.gz KUTVBORZYOIARP-GXTWGEPZSA-N 0 3 369.487 1.709 20 10 FDCDHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C ZINC000769910421 929732125 /nfs/dbraw/zinc/73/21/25/929732125.db2.gz KUTVBORZYOIARP-GXTWGEPZSA-N 0 3 369.487 1.709 20 10 FDCDHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000770361738 929973288 /nfs/dbraw/zinc/97/32/88/929973288.db2.gz USXSLOLLMKNIJL-UHFFFAOYSA-N 0 3 364.442 1.682 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000770591781 930129931 /nfs/dbraw/zinc/12/99/31/930129931.db2.gz UDLYBERVLDLODH-QGZVFWFLSA-N 0 3 361.534 1.886 20 10 FDCDHN CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788936238 932898658 /nfs/dbraw/zinc/89/86/58/932898658.db2.gz IXBCSZKWHZADQG-UHFFFAOYSA-N 0 3 358.486 1.457 20 10 FDCDHN CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805101757 938661542 /nfs/dbraw/zinc/66/15/42/938661542.db2.gz DPTXKKSTZHDFEE-GFCCVEGCSA-N 0 3 361.273 1.744 20 10 FDCDHN CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805101757 938661543 /nfs/dbraw/zinc/66/15/43/938661543.db2.gz DPTXKKSTZHDFEE-GFCCVEGCSA-N 0 3 361.273 1.744 20 10 FDCDHN O=C(NCCCSc1nccs1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000806277067 939876237 /nfs/dbraw/zinc/87/62/37/939876237.db2.gz OSWOMDDYASBVKN-CYBMUJFWSA-N 0 3 368.528 1.438 20 10 FDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806280017 939878339 /nfs/dbraw/zinc/87/83/39/939878339.db2.gz HRGYKCOSRANDAF-UHFFFAOYSA-N 0 3 358.533 1.540 20 10 FDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ncccc3C)CC2)cc1 ZINC000819017772 943403464 /nfs/dbraw/zinc/40/34/64/943403464.db2.gz MMTDYTGERROTTB-LJQANCHMSA-N 0 3 370.497 1.671 20 10 FDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1C1CCN(C[C@H]2CCCO2)CC1 ZINC000819166370 943457058 /nfs/dbraw/zinc/45/70/58/943457058.db2.gz VJQZTFUYGNHMGE-QGZVFWFLSA-N 0 3 373.453 1.800 20 10 FDCDHN COc1cc(NC(=O)CNCc2cc3c(cc2O)OCO3)cc(OC)c1 ZINC000822489560 945002918 /nfs/dbraw/zinc/00/29/18/945002918.db2.gz FMGLSZMIZWLURM-UHFFFAOYSA-N 0 3 360.366 1.866 20 10 FDCDHN CC1(OCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CNC1 ZINC000844188824 947825681 /nfs/dbraw/zinc/82/56/81/947825681.db2.gz YKADRVNFKPUMKX-CYBMUJFWSA-N 0 3 369.412 1.752 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)c3ccc(CN)o3)CC2)cc1 ZINC000844191346 947830488 /nfs/dbraw/zinc/83/04/88/947830488.db2.gz MMOCNUBTASUUPN-UHFFFAOYSA-N 0 3 372.469 1.689 20 10 FDCDHN C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)CN1CCN(C)CC1 ZINC000845014020 948603827 /nfs/dbraw/zinc/60/38/27/948603827.db2.gz VJWXHYLIGSZWHL-ZDUSSCGKSA-N 0 3 354.882 1.728 20 10 FDCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499793 949696193 /nfs/dbraw/zinc/69/61/93/949696193.db2.gz JGACAJRIUYGDNH-PWSUYJOCSA-N 0 3 354.403 1.263 20 10 FDCDHN C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC000774217723 961896028 /nfs/dbraw/zinc/89/60/28/961896028.db2.gz PHTBRFSEJIOJCF-OLMNPRSZSA-N 0 3 358.486 1.625 20 10 FDCDHN CC(C)CNC(=O)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257393 967016901 /nfs/dbraw/zinc/01/69/01/967016901.db2.gz JCYHZWHWKQENTR-OAHLLOKOSA-N 0 3 362.474 1.656 20 10 FDCDHN CCOC(=O)N1CCN(C(=O)CN[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000775369796 967716274 /nfs/dbraw/zinc/71/62/74/967716274.db2.gz IFZKVARDSRLRJM-CYBMUJFWSA-N 0 3 365.430 1.352 20 10 FDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000111845440 968545090 /nfs/dbraw/zinc/54/50/90/968545090.db2.gz CFJGRBUOLSDCPM-GOSISDBHSA-N 0 3 360.502 1.979 20 10 FDCDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855163936 970190391 /nfs/dbraw/zinc/19/03/91/970190391.db2.gz GKUFRAQKDSRTCK-LBPRGKRZSA-N 0 3 355.460 1.366 20 10 FDCDHN CN1CCN(c2ccc(CNCc3nnc(C4CCOCC4)[nH]3)cc2)CC1 ZINC000865687745 974422625 /nfs/dbraw/zinc/42/26/25/974422625.db2.gz UVDXIWFIZOAOJB-UHFFFAOYSA-N 0 3 370.501 1.740 20 10 FDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c1[O-] ZINC000866554819 975784188 /nfs/dbraw/zinc/78/41/88/975784188.db2.gz USQJPSCTVXGYER-SJKOYZFVSA-N 0 3 354.834 1.632 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848929389 977241101 /nfs/dbraw/zinc/24/11/01/977241101.db2.gz FZLSYUILZXKGLD-ZWKOTPCHSA-N 0 3 358.486 1.502 20 10 FDCDHN CN1CCN(c2ccc(CNc3ccnc(N4CCOCC4)n3)cc2)CC1 ZINC000882880424 981770577 /nfs/dbraw/zinc/77/05/77/981770577.db2.gz RGBRHMWSXFHJRK-UHFFFAOYSA-N 0 3 368.485 1.677 20 10 FDCDHN CN(C)c1cc(F)c(CN(C)C2CCN(S(C)(=O)=O)CC2)cc1F ZINC000862253768 984286682 /nfs/dbraw/zinc/28/66/82/984286682.db2.gz SEQCAUJLFVEVRZ-UHFFFAOYSA-N 0 3 361.458 1.887 20 10 FDCDHN COc1ccc(N2CCN(C[C@@H](O)Cn3ccnc3C3CC3)CC2)cc1 ZINC000871983327 987406888 /nfs/dbraw/zinc/40/68/88/987406888.db2.gz BHOQUUPGNXBXBO-GOSISDBHSA-N 0 3 356.470 1.952 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](O)C13CCCC3)cc2=O ZINC000292876347 987921081 /nfs/dbraw/zinc/92/10/81/987921081.db2.gz XPPYELNEMPBGNA-AWEZNQCLSA-N 0 3 360.414 1.491 20 10 FDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)c([O-])c1 ZINC000371332730 990363579 /nfs/dbraw/zinc/36/35/79/990363579.db2.gz RBBVYUSQPUWUSD-KUHUBIRLSA-N 0 3 361.442 1.991 20 10 FDCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)c([O-])c1 ZINC000371332730 990363587 /nfs/dbraw/zinc/36/35/87/990363587.db2.gz RBBVYUSQPUWUSD-KUHUBIRLSA-N 0 3 361.442 1.991 20 10 FDCDHN COC[C@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCN1 ZINC000876730308 992843958 /nfs/dbraw/zinc/84/39/58/992843958.db2.gz GIGYFZBEJQCOQL-IBGZPJMESA-N 0 3 365.449 1.437 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)c(OC)c1 ZINC000877227111 993117776 /nfs/dbraw/zinc/11/77/76/993117776.db2.gz CPIWVLOHRKRYQK-SFHVURJKSA-N 0 3 369.465 1.922 20 10 FDCDHN OCc1cn([C@@H]2CCCN(Cc3ccc(N4CCC(O)CC4)cc3)C2)nn1 ZINC000877552500 993336952 /nfs/dbraw/zinc/33/69/52/993336952.db2.gz VCUHUBUVGDRGJE-LJQANCHMSA-N 0 3 371.485 1.569 20 10 FDCDHN CN1CCN(c2ccc(CN3CC[C@H]4CS(=O)(=O)C[C@H]4C3)cc2)CC1 ZINC000877790748 993515801 /nfs/dbraw/zinc/51/58/01/993515801.db2.gz GRHYXJKMVZFBIW-ZWKOTPCHSA-N 0 3 363.527 1.305 20 10 FDCDHN CC[C@@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)N(C)C ZINC000274151015 999736330 /nfs/dbraw/zinc/73/63/30/999736330.db2.gz FVJMEPOMFCVLEF-HNNXBMFYSA-N 0 3 365.474 1.701 20 10 FDCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)N1CCC[C@H](C)C1 ZINC000283663648 999760069 /nfs/dbraw/zinc/76/00/69/999760069.db2.gz YKFBLGHPDCJALK-HOTGVXAUSA-N 0 3 360.502 1.605 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1(O)CCOCC1)C[C@H]1CCCO1 ZINC000929972729 1002679930 /nfs/dbraw/zinc/67/99/30/1002679930.db2.gz UEGYWVZQWLLAKE-AEFFLSMTSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCOCC1)C[C@H]1CCCO1 ZINC000929972729 1002679936 /nfs/dbraw/zinc/67/99/36/1002679936.db2.gz UEGYWVZQWLLAKE-AEFFLSMTSA-N 0 3 351.443 1.276 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCSC2)N(C)C)cc1 ZINC000930099528 1002811029 /nfs/dbraw/zinc/81/10/29/1002811029.db2.gz OLHBADAQVKNYHC-GDBMZVCRSA-N 0 3 364.515 1.093 20 10 FDCDHN CCN1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000159698329 524722313 /nfs/dbraw/zinc/72/23/13/524722313.db2.gz KJNIMTAVZKXMJQ-UHFFFAOYSA-N 0 3 364.465 1.900 20 10 FDCDHN COc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1[O-] ZINC000181112181 525809327 /nfs/dbraw/zinc/80/93/27/525809327.db2.gz ZRZUMVFAPACNCK-UHFFFAOYSA-N 0 3 356.488 1.941 20 10 FDCDHN C[C@H]1CN(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)CCO1 ZINC000108871477 526038836 /nfs/dbraw/zinc/03/88/36/526038836.db2.gz JTWQKZYOHRDWND-KRWDZBQOSA-N 0 3 374.529 1.554 20 10 FDCDHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC[C@@H]21 ZINC000269089766 537018656 /nfs/dbraw/zinc/01/86/56/537018656.db2.gz YUIIVXNDQPFTQJ-WFASDCNBSA-N 0 3 367.471 1.320 20 10 FDCDHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC[C@@H]21 ZINC000269089766 537018659 /nfs/dbraw/zinc/01/86/59/537018659.db2.gz YUIIVXNDQPFTQJ-WFASDCNBSA-N 0 3 367.471 1.320 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)cc1 ZINC000296517536 537715073 /nfs/dbraw/zinc/71/50/73/537715073.db2.gz ZWDQUYZDLVUSFB-DFQSSKMNSA-N 0 3 373.497 1.747 20 10 FDCDHN CS(=O)(=O)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCNCC1 ZINC000285712620 537749360 /nfs/dbraw/zinc/74/93/60/537749360.db2.gz DEKIEEHQNBEKJP-UHFFFAOYSA-N 0 3 365.499 1.070 20 10 FDCDHN CC1CCN(c2ccc(CNC(=O)[C@H]3CN4CCN3CCC4)cc2)CC1 ZINC000367054260 537926638 /nfs/dbraw/zinc/92/66/38/537926638.db2.gz WSROAVSGOGMYON-HXUWFJFHSA-N 0 3 356.514 1.929 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@](CO)(C(C)C)C1)cc2=O ZINC000377656023 537993083 /nfs/dbraw/zinc/99/30/83/537993083.db2.gz VAGGUHAYFZSSLY-SFHVURJKSA-N 0 3 362.430 1.452 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000576780489 550585168 /nfs/dbraw/zinc/58/51/68/550585168.db2.gz ZSKQLRGOCVGWOU-UGSOOPFHSA-N 0 3 356.470 1.511 20 10 FDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCN(C)C)cc1F ZINC000286384805 675895228 /nfs/dbraw/zinc/89/52/28/675895228.db2.gz KQULHGAKOPTTSF-UHFFFAOYSA-N 0 3 352.454 1.308 20 10 FDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)c2c1 ZINC000116869418 671659816 /nfs/dbraw/zinc/65/98/16/671659816.db2.gz UFCIMSHJJVDKGU-ZDUSSCGKSA-N 0 3 350.440 1.678 20 10 FDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)c2c1 ZINC000116869418 671659818 /nfs/dbraw/zinc/65/98/18/671659818.db2.gz UFCIMSHJJVDKGU-ZDUSSCGKSA-N 0 3 350.440 1.678 20 10 FDCDHN CC(C)(O)CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000129977871 671789881 /nfs/dbraw/zinc/78/98/81/671789881.db2.gz PXOINUJVHSIYTP-UHFFFAOYSA-N 0 3 351.466 1.551 20 10 FDCDHN COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000237059953 672420241 /nfs/dbraw/zinc/42/02/41/672420241.db2.gz DRQITSLHMGBKPW-UHFFFAOYSA-N 0 3 350.440 1.607 20 10 FDCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264519629 672916346 /nfs/dbraw/zinc/91/63/46/672916346.db2.gz VZFBAUNIBRMEKO-AWEZNQCLSA-N 0 3 367.471 1.464 20 10 FDCDHN NS(=O)(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000327324864 676591361 /nfs/dbraw/zinc/59/13/61/676591361.db2.gz WEMPYUXQEUDKEJ-UHFFFAOYSA-N 0 3 361.467 1.460 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)N(C)C)cc1 ZINC000891246280 774084108 /nfs/dbraw/zinc/08/41/08/774084108.db2.gz BVYMOQQLFCEWTP-DNVCBOLYSA-N 0 3 370.501 1.405 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccn3nccc3n2)N(C)C)cc1 ZINC000891246950 774096123 /nfs/dbraw/zinc/09/61/23/774096123.db2.gz QYZNMWYISCLINS-QGZVFWFLSA-N 0 3 352.442 1.828 20 10 FDCDHN COC(=O)c1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891248443 774097163 /nfs/dbraw/zinc/09/71/63/774097163.db2.gz LRWVGHYVGKSXCY-GOSISDBHSA-N 0 3 370.453 1.967 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)COCc2ccnn2C)N(C)C)cc1 ZINC000891247753 774099181 /nfs/dbraw/zinc/09/91/81/774099181.db2.gz KDBCUXDCHUDVLX-SFHVURJKSA-N 0 3 359.474 1.422 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)N(C)C)cc1 ZINC000891248008 774099803 /nfs/dbraw/zinc/09/98/03/774099803.db2.gz JVBZFIMYOQEYEI-NUJGCVRESA-N 0 3 360.502 1.763 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc3cccnn32)N(C)C)cc1 ZINC000891249581 774109228 /nfs/dbraw/zinc/10/92/28/774109228.db2.gz ROCDMNKVYYWURI-INIZCTEOSA-N 0 3 352.442 1.828 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)N(C)C)cc1 ZINC000891249687 774110163 /nfs/dbraw/zinc/11/01/63/774110163.db2.gz RXLSOPBBFBRRBW-MRXNPFEDSA-N 0 3 368.441 1.762 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000893642867 808452288 /nfs/dbraw/zinc/45/22/88/808452288.db2.gz QEFUQOOECMQHOD-APWZRJJASA-N 0 3 370.501 1.935 20 10 FDCDHN COC(=O)[C@H]1[C@H](CNCc2ccc(N3CCC(O)CC3)c(F)c2)C1(F)F ZINC000894201992 810888432 /nfs/dbraw/zinc/88/84/32/810888432.db2.gz AMIKCYHBQIOYCT-XJKSGUPXSA-N 0 3 372.387 1.931 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCOCC(F)F)N(C)C)cc1 ZINC000894366805 817728079 /nfs/dbraw/zinc/72/80/79/817728079.db2.gz HUUPGPAHFOOHRR-OAHLLOKOSA-N 0 3 358.433 1.936 20 10 FDCDHN CON1CCC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000895424498 822596654 /nfs/dbraw/zinc/59/66/54/822596654.db2.gz FDOSYUFDORRCEU-GOSISDBHSA-N 0 3 363.506 1.680 20 10 FDCDHN CCn1ncc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000895943717 823796915 /nfs/dbraw/zinc/79/69/15/823796915.db2.gz OHIOZKZBCNMKSU-QGZVFWFLSA-N 0 3 359.478 1.466 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCO[C@@H]2CCOC2)N(C)C)cc1 ZINC000896734325 824840947 /nfs/dbraw/zinc/84/09/47/824840947.db2.gz XXWGAJOQQKVMPV-MSOLQXFVSA-N 0 3 364.490 1.460 20 10 FDCDHN CCOCc1cc(CN[C@H]2CN(C(=O)OCC)C[C@@H]2CO)ccc1OC ZINC000898359313 840965399 /nfs/dbraw/zinc/96/53/99/840965399.db2.gz OYALETGDPLKGCB-SJORKVTESA-N 0 3 366.458 1.771 20 10 FDCDHN CN(C)c1ccc([C@@H](CNCc2cn(C[C@H]3CCOC3)nn2)N(C)C)cc1 ZINC000898447196 844713695 /nfs/dbraw/zinc/71/36/95/844713695.db2.gz GSHRAFKWZQYZCM-OXQOHEQNSA-N 0 3 372.517 1.773 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NOC2CCOCC2)N(C)C)cc1 ZINC000899101378 845772536 /nfs/dbraw/zinc/77/25/36/845772536.db2.gz HJJBGFCIIIXTEK-KRWDZBQOSA-N 0 3 350.463 1.765 20 10 FDCDHN C[C@@H]1C(=O)N(C)CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105681 845780262 /nfs/dbraw/zinc/78/02/62/845780262.db2.gz YPHOSYAEYNYZLO-PBHICJAKSA-N 0 3 361.490 1.227 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](O)C(F)(F)C2)N(C)C)cc1 ZINC000899099147 845793914 /nfs/dbraw/zinc/79/39/14/845793914.db2.gz WBGYVCLEHJTZAQ-JKSUJKDBSA-N 0 3 370.444 1.767 20 10 FDCDHN CC(C)NC(=O)CNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899725074 846626617 /nfs/dbraw/zinc/62/66/17/846626617.db2.gz SDHQSVFVTJLVCE-INIZCTEOSA-N 0 3 365.547 1.344 20 10 FDCDHN COc1cccc(O)c1CNCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000922496610 878341779 /nfs/dbraw/zinc/34/17/79/878341779.db2.gz QBAOHAFPUAICEF-UHFFFAOYSA-N 0 3 359.304 1.515 20 10 FDCDHN NS(=O)(=O)CC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930118797 886679372 /nfs/dbraw/zinc/67/93/72/886679372.db2.gz KJPPPISJTMUJGF-UHFFFAOYSA-N 0 3 353.488 1.024 20 10 FDCDHN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NCc1ccnn1C ZINC001082953549 911092093 /nfs/dbraw/zinc/09/20/93/911092093.db2.gz MJRCPVLNZVRUEE-MLGOLLRUSA-N 0 3 369.429 1.833 20 10 FDCDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N(C)C ZINC000730280568 916456375 /nfs/dbraw/zinc/45/63/75/916456375.db2.gz VCNONOWESYOILH-SJLPKXTDSA-N 0 3 360.502 1.591 20 10 FDCDHN C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392861 926038870 /nfs/dbraw/zinc/03/88/70/926038870.db2.gz UBGFJHZOKZBQGK-DNVCBOLYSA-N 0 3 369.469 1.540 20 10 FDCDHN C[C@H](NC(=O)C(=O)NCCN1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000787663245 932361021 /nfs/dbraw/zinc/36/10/21/932361021.db2.gz CXAQGUQVLXESCU-INIZCTEOSA-N 0 3 360.502 1.778 20 10 FDCDHN CCOc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c([O-])c1 ZINC000809732925 940888201 /nfs/dbraw/zinc/88/82/01/940888201.db2.gz RVTHECXDFOSEFK-UHFFFAOYSA-N 0 3 361.486 1.777 20 10 FDCDHN C[NH+]1CCC2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)CC1 ZINC000816643956 942285206 /nfs/dbraw/zinc/28/52/06/942285206.db2.gz XFRGYGZQQVSMEJ-UHFFFAOYSA-N 0 3 367.471 1.322 20 10 FDCDHN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817894579 943068590 /nfs/dbraw/zinc/06/85/90/943068590.db2.gz NCGUQJQDOHKWGN-MOPGFXCFSA-N 0 3 361.486 1.279 20 10 FDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)N1CCO ZINC000824926862 946878787 /nfs/dbraw/zinc/87/87/87/946878787.db2.gz VZWYBSJZDNAREH-IYBDPMFKSA-N 0 3 351.466 1.549 20 10 FDCDHN COc1ccc(N2CCN(CCCNC(=O)c3coc(CN)c3)CC2)cc1 ZINC000844191953 947829430 /nfs/dbraw/zinc/82/94/30/947829430.db2.gz VEBKRSWPJHXDAH-UHFFFAOYSA-N 0 3 372.469 1.689 20 10 FDCDHN Oc1cc(O)c(CN2CCN(c3ncc(C(F)(F)F)cn3)CC2)c(O)c1 ZINC001144515580 949805409 /nfs/dbraw/zinc/80/54/09/949805409.db2.gz RALQCOZQIPWKFA-UHFFFAOYSA-N 0 3 370.331 1.934 20 10 FDCDHN CN(CCN1CCCCC1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000846722683 951485884 /nfs/dbraw/zinc/48/58/84/951485884.db2.gz BATQOCHAVULXKO-UHFFFAOYSA-N 0 3 372.513 1.847 20 10 FDCDHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093241055 957821970 /nfs/dbraw/zinc/82/19/70/957821970.db2.gz VLMSFEYEAJDOTD-NQBHXWOUSA-N 0 3 360.418 1.021 20 10 FDCDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CN1CCN(C)CC1 ZINC000773368244 961982608 /nfs/dbraw/zinc/98/26/08/961982608.db2.gz QAJJVDWEGGSJPY-SJORKVTESA-N 0 3 361.534 1.996 20 10 FDCDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1cc(O)ccc1O ZINC001176748280 963529708 /nfs/dbraw/zinc/52/97/08/963529708.db2.gz MVDDBWAJVAGYNF-UHFFFAOYSA-N 0 3 355.438 1.926 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@](O)(C3CC3)C1)cc2=O ZINC000852503169 967380741 /nfs/dbraw/zinc/38/07/41/967380741.db2.gz RKLBEMXPTKFIKO-GOSISDBHSA-N 0 3 360.414 1.349 20 10 FDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000775361936 967614947 /nfs/dbraw/zinc/61/49/47/967614947.db2.gz DUTRVYNCICCMHU-XQQFMLRXSA-N 0 3 370.471 1.085 20 10 FDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000775368771 967638045 /nfs/dbraw/zinc/63/80/45/967638045.db2.gz FDNYNNVSKLCUQZ-CQSZACIVSA-N 0 3 365.474 1.278 20 10 FDCDHN CC(C)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@H](C)O ZINC000107042702 975979237 /nfs/dbraw/zinc/97/92/37/975979237.db2.gz GJMKBWWLCRKHQK-HNNXBMFYSA-N 0 3 367.465 1.370 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848934759 977254951 /nfs/dbraw/zinc/25/49/51/977254951.db2.gz NBSSPKKBDDVOMA-RTBURBONSA-N 0 3 372.513 1.810 20 10 FDCDHN O=S1(=O)CCN(c2ccc(CNCc3cccc4nccn43)cc2)CC1 ZINC000850356844 978333204 /nfs/dbraw/zinc/33/32/04/978333204.db2.gz YWVFBUWDPXTQLM-UHFFFAOYSA-N 0 3 370.478 1.859 20 10 FDCDHN CN(CC1CN(C)C1)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000850595872 978457751 /nfs/dbraw/zinc/45/77/51/978457751.db2.gz HCZATKYOTOEUDL-UHFFFAOYSA-N 0 3 371.437 1.534 20 10 FDCDHN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)cc1 ZINC000851657049 978986595 /nfs/dbraw/zinc/98/65/95/978986595.db2.gz UEVNQQVOGFSUBP-IAGOWNOFSA-N 0 3 350.438 1.745 20 10 FDCDHN CC1([NH+]2CCC2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000882503063 980685136 /nfs/dbraw/zinc/68/51/36/980685136.db2.gz NXHUVZXRRDUHNS-UHFFFAOYSA-N 0 3 367.471 1.464 20 10 FDCDHN CN1CCN(c2ccc(CNCc3cn(C[C@H]4CCOC4)nn3)cc2)CC1 ZINC000883282879 982042775 /nfs/dbraw/zinc/04/27/75/982042775.db2.gz JDRSNKBLKHYXFT-GOSISDBHSA-N 0 3 370.501 1.356 20 10 FDCDHN CN1CCN(c2ccc(CN3CC[C@H]4CC[C@@H](C3)S4(=O)=O)cc2)CC1 ZINC000862526277 984404238 /nfs/dbraw/zinc/40/42/38/984404238.db2.gz RHVQXKIDUJOLJO-MOPGFXCFSA-N 0 3 363.527 1.590 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)c(OC)c1 ZINC000870167140 985763355 /nfs/dbraw/zinc/76/33/55/985763355.db2.gz BSYFOBDDOXNGNL-SFHVURJKSA-N 0 3 359.470 1.979 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@]4(CO)CCC[C@@H]34)CC2)cc1 ZINC000886620692 986425754 /nfs/dbraw/zinc/42/57/54/986425754.db2.gz QEFRJLQKRBXFTC-TZIWHRDSSA-N 0 3 373.497 1.581 20 10 FDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1[O-] ZINC000886698516 986482668 /nfs/dbraw/zinc/48/26/68/986482668.db2.gz HMRLICZSHUIBMA-LLVKDONJSA-N 0 3 361.833 1.989 20 10 FDCDHN CCOCC(C)(C)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000293291787 988020030 /nfs/dbraw/zinc/02/00/30/988020030.db2.gz OVNDFAFXUDFTEF-UHFFFAOYSA-N 0 3 367.465 1.683 20 10 FDCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369027589 989021102 /nfs/dbraw/zinc/02/11/02/989021102.db2.gz MYBOSTFIRQJYII-MOPGFXCFSA-N 0 3 358.486 1.949 20 10 FDCDHN O=C(CC[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCN(c2ncccn2)CC1 ZINC000297598163 989576588 /nfs/dbraw/zinc/57/65/88/989576588.db2.gz HWBGQPIHLXTOSS-MRXNPFEDSA-N 0 3 367.453 1.498 20 10 FDCDHN CN1CCN(CCCCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000125439683 991585060 /nfs/dbraw/zinc/58/50/60/991585060.db2.gz FHPGRWPFICXONN-UHFFFAOYSA-N 0 3 371.529 1.890 20 10 FDCDHN COC[C@]1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCCN1 ZINC000876713769 992819786 /nfs/dbraw/zinc/81/97/86/992819786.db2.gz OMZVCFXIUGZCQH-FQEVSTJZSA-N 0 3 361.486 1.640 20 10 FDCDHN Cn1ncc(CN)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876728944 992842113 /nfs/dbraw/zinc/84/21/13/992842113.db2.gz ADPDSOWEVJAODI-UHFFFAOYSA-N 0 3 357.458 1.018 20 10 FDCDHN COC[C@]1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCCCN1 ZINC000876783222 992911073 /nfs/dbraw/zinc/91/10/73/992911073.db2.gz XGBURFOSGRGYEA-IBGZPJMESA-N 0 3 365.449 1.642 20 10 FDCDHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2ccc(C)cc2O)C1 ZINC000877474873 993296967 /nfs/dbraw/zinc/29/69/67/993296967.db2.gz IGZWYKKKNITBNA-MRXNPFEDSA-N 0 3 356.488 1.573 20 10 FDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877606600 993374850 /nfs/dbraw/zinc/37/48/50/993374850.db2.gz GIOJNNDGPKXHRL-INIZCTEOSA-N 0 3 360.502 1.200 20 10 FDCDHN CCOC(=O)[C@@]1(C)CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000877703963 993456505 /nfs/dbraw/zinc/45/65/05/993456505.db2.gz GWAJQIULYJFLQD-HXUWFJFHSA-N 0 3 361.486 1.592 20 10 FDCDHN CC1(C)NC(=O)N(CCN(Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000264737763 997588549 /nfs/dbraw/zinc/58/85/49/997588549.db2.gz SPFVXVUPXGFNCD-OAHLLOKOSA-N 0 3 361.442 1.704 20 10 FDCDHN CC1(C)NC(=O)N(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1=O ZINC000264737763 997588563 /nfs/dbraw/zinc/58/85/63/997588563.db2.gz SPFVXVUPXGFNCD-OAHLLOKOSA-N 0 3 361.442 1.704 20 10 FDCDHN CC1(C)NC(=O)N(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1=O ZINC000264737763 997588570 /nfs/dbraw/zinc/58/85/70/997588570.db2.gz SPFVXVUPXGFNCD-OAHLLOKOSA-N 0 3 361.442 1.704 20 10 FDCDHN CN1CCN(c2ccc(CNC(=O)N3CCN(C4CCC4)CC3)cc2)CC1 ZINC000889669565 998519078 /nfs/dbraw/zinc/51/90/78/998519078.db2.gz NCXYJJICBVGCSM-UHFFFAOYSA-N 0 3 371.529 1.818 20 10 FDCDHN C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc[nH]1 ZINC000930231647 1002951121 /nfs/dbraw/zinc/95/11/21/1002951121.db2.gz BXTDCVSFLQCJLP-RDTXWAMCSA-N 0 3 371.485 1.677 20 10 FDCDHN COc1cc(Br)cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000795584293 1007039705 /nfs/dbraw/zinc/03/97/05/1007039705.db2.gz PGYIJXGBKWBIML-ZYHUDNBSSA-N 0 3 360.248 1.898 20 10 FDCDHN COCCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)C ZINC000078520167 1009341883 /nfs/dbraw/zinc/34/18/83/1009341883.db2.gz FVFYNQODXYZPLN-UHFFFAOYSA-N 0 3 363.502 1.948 20 10 FDCDHN CSCC[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269256384 674108187 /nfs/dbraw/zinc/10/81/87/674108187.db2.gz SHSFQVLHMYNPMJ-KRWDZBQOSA-N 0 3 351.516 1.592 20 10 FDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000550709529 543156001 /nfs/dbraw/zinc/15/60/01/543156001.db2.gz UQDIRPYFZHVEEJ-UHFFFAOYSA-N 0 3 368.481 1.846 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN(C[C@@H]3CCOC3)C3CC3)CC2)cc1 ZINC000046091806 522223505 /nfs/dbraw/zinc/22/35/05/522223505.db2.gz UELYAEKTWQKENY-KRWDZBQOSA-N 0 3 373.497 1.845 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H](N)CCSC)cc2F)CC1 ZINC000178882674 525497753 /nfs/dbraw/zinc/49/77/53/525497753.db2.gz MFIGEXCWCJSABT-MRXNPFEDSA-N 0 3 368.522 1.664 20 10 FDCDHN CCN1CCN([C@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)CC1 ZINC000118834839 525556131 /nfs/dbraw/zinc/55/61/31/525556131.db2.gz WUDVHRQXXIBSJH-FQEVSTJZSA-N 0 3 373.545 1.081 20 10 FDCDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906697 537016582 /nfs/dbraw/zinc/01/65/82/537016582.db2.gz MAZLBVWPWNOTSW-DOTOQJQBSA-N 0 3 350.482 1.559 20 10 FDCDHN Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)c(OCCN(C)C)c1 ZINC000265743523 537169556 /nfs/dbraw/zinc/16/95/56/537169556.db2.gz DXJLLKLHZRYVCU-UHFFFAOYSA-N 0 3 371.437 1.896 20 10 FDCDHN COc1c([O-])c(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278849693 537341543 /nfs/dbraw/zinc/34/15/43/537341543.db2.gz KWUSOMQCGPXAHE-INIZCTEOSA-N 0 3 366.462 1.671 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN[C@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000364809994 537399246 /nfs/dbraw/zinc/39/92/46/537399246.db2.gz YNUCJOBNTOBMFS-AZUAARDMSA-N 0 3 359.470 1.501 20 10 FDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC1CCN(C)CC1 ZINC000284802438 537559112 /nfs/dbraw/zinc/55/91/12/537559112.db2.gz LBQFIRZVJWXLBC-UHFFFAOYSA-N 0 3 372.513 1.846 20 10 FDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000236892537 537603040 /nfs/dbraw/zinc/60/30/40/537603040.db2.gz HQBMAMQYIIPDDC-KSSFIOAISA-N 0 3 350.482 1.957 20 10 FDCDHN CO[C@@H](CN)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000289940916 537631294 /nfs/dbraw/zinc/63/12/94/537631294.db2.gz LMYGHZCVYOSQEV-AWEZNQCLSA-N 0 3 361.364 1.132 20 10 FDCDHN COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210253 608502301 /nfs/dbraw/zinc/50/23/01/608502301.db2.gz KIBMRXPLAQAYPI-GTNSWQLSSA-N 0 3 355.398 1.965 20 10 FDCDHN COCC(C)(C)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000171203409 672052051 /nfs/dbraw/zinc/05/20/51/672052051.db2.gz SMMUDBFDMWLGTK-UHFFFAOYSA-N 0 3 353.438 1.293 20 10 FDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)cc1F ZINC000282431987 675628891 /nfs/dbraw/zinc/62/88/91/675628891.db2.gz FQTFSZLEQYISBG-KRWDZBQOSA-N 0 3 351.422 1.237 20 10 FDCDHN COc1c(O)c(CN2CCC[C@@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000294902483 676398516 /nfs/dbraw/zinc/39/85/16/676398516.db2.gz XILBKYWULIKDQK-GFCCVEGCSA-N 0 3 353.375 1.972 20 10 FDCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366484687 677445384 /nfs/dbraw/zinc/44/53/84/677445384.db2.gz ULIAOOQGWXDQGW-RYUDHWBXSA-N 0 3 353.216 1.558 20 10 FDCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366484687 677445386 /nfs/dbraw/zinc/44/53/86/677445386.db2.gz ULIAOOQGWXDQGW-RYUDHWBXSA-N 0 3 353.216 1.558 20 10 FDCDHN CCN1CCN(CCNC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 ZINC000120469929 770377083 /nfs/dbraw/zinc/37/70/83/770377083.db2.gz AMRAXFPGGQTHQH-UHFFFAOYSA-N 0 3 355.442 1.618 20 10 FDCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cn[nH]n2)C1 ZINC000683491295 772024506 /nfs/dbraw/zinc/02/45/06/772024506.db2.gz JNTNCZKSVCREIZ-UHFFFAOYSA-N 0 3 352.442 1.842 20 10 FDCDHN CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246673 774089773 /nfs/dbraw/zinc/08/97/73/774089773.db2.gz DUARUHOHEQSWDX-BHIYHBOVSA-N 0 3 363.502 1.913 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn(CC3CC3)nn2)N(C)C)cc1 ZINC000891247772 774099119 /nfs/dbraw/zinc/09/91/19/774099119.db2.gz KGKBZQMTNFAQQY-GOSISDBHSA-N 0 3 356.474 1.787 20 10 FDCDHN Cc1nnc2n1C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC000891253152 774139986 /nfs/dbraw/zinc/13/99/86/774139986.db2.gz RDJZQMMNGSOMEP-AEFFLSMTSA-N 0 3 370.501 1.634 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)N(C)C)cc1 ZINC000891254597 774147341 /nfs/dbraw/zinc/14/73/41/774147341.db2.gz ZMUTXXIEYASMSJ-DNVCBOLYSA-N 0 3 355.486 2.000 20 10 FDCDHN CC(C)NC(=O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891762228 779296472 /nfs/dbraw/zinc/29/64/72/779296472.db2.gz CSMOUCQSEDLDMV-KRWDZBQOSA-N 0 3 363.506 1.569 20 10 FDCDHN COc1cc(N2CCN(C(=O)CN(C)C(C)C)CC2)cc(OC)c1OC ZINC000274121464 793630532 /nfs/dbraw/zinc/63/05/32/793630532.db2.gz AYRZQDRQRPAQSV-UHFFFAOYSA-N 0 3 365.474 1.701 20 10 FDCDHN COC(=O)c1cn([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000363918148 794560385 /nfs/dbraw/zinc/56/03/85/794560385.db2.gz ICLVFWMWOWCETL-KRWDZBQOSA-N 0 3 371.441 1.348 20 10 FDCDHN Oc1ccc(C[C@@H](O)c2nc(-c3ccc4c(n3)CCNC4)no2)cc1O ZINC001211668816 803793183 /nfs/dbraw/zinc/79/31/83/803793183.db2.gz XBCFIJDEIGRKHR-MRXNPFEDSA-N 0 3 354.366 1.465 20 10 FDCDHN CN(C)c1ccc(CNC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178824305 810708599 /nfs/dbraw/zinc/70/85/99/810708599.db2.gz BOJRRFLZZDLMFO-SFHVURJKSA-N 0 3 360.502 1.023 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2ccn(C)n2)N(C)C)cc1 ZINC000894206212 810988476 /nfs/dbraw/zinc/98/84/76/810988476.db2.gz KZOHZAJUFZAVPE-SFHVURJKSA-N 0 3 358.490 1.631 20 10 FDCDHN COc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)c([O-])c1OC ZINC000895438299 822598339 /nfs/dbraw/zinc/59/83/39/822598339.db2.gz NKWKTNZFKFYJRB-UHFFFAOYSA-N 0 3 350.459 1.954 20 10 FDCDHN COc1ccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c([O-])c1OC ZINC000895438299 822598344 /nfs/dbraw/zinc/59/83/44/822598344.db2.gz NKWKTNZFKFYJRB-UHFFFAOYSA-N 0 3 350.459 1.954 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H]2CNC(=O)C2)N(C)C)cc1 ZINC000896689785 824796554 /nfs/dbraw/zinc/79/65/54/824796554.db2.gz IYOOWRFDAMPWOB-WMLDXEAASA-N 0 3 361.490 1.181 20 10 FDCDHN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CN1CCN(C)CC1 ZINC000896708210 824826008 /nfs/dbraw/zinc/82/60/08/824826008.db2.gz OQQYWTFENVETGP-LBPRGKRZSA-N 0 3 363.483 1.926 20 10 FDCDHN COC(=O)c1c(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)c2cc(F)ccc2n1C ZINC000896854595 825320823 /nfs/dbraw/zinc/32/08/23/825320823.db2.gz BFZJUQPUWZXNGA-NDGTYSDOSA-N 0 3 362.401 1.998 20 10 FDCDHN CN(C)[S@](C)(=O)=NCC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000898399710 844635865 /nfs/dbraw/zinc/63/58/65/844635865.db2.gz TVKWBMQMGMFNDB-RUZDIDTESA-N 0 3 369.487 1.907 20 10 FDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)N(C)C)cc1 ZINC000899097819 845760893 /nfs/dbraw/zinc/76/08/93/845760893.db2.gz HKUSCTSWKXWFDF-GDAAHCPNSA-N 0 3 360.502 1.910 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@]3(CNC(=O)C3)C2)N(C)C)cc1 ZINC000899104184 845777226 /nfs/dbraw/zinc/77/72/26/845777226.db2.gz QMCOQLKUAJTUMR-XLIONFOSSA-N 0 3 373.501 1.277 20 10 FDCDHN CNC(=O)CCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105191 845779569 /nfs/dbraw/zinc/77/95/69/845779569.db2.gz VDHINJRYAMKIJG-KRWDZBQOSA-N 0 3 363.506 1.523 20 10 FDCDHN C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100602 845797683 /nfs/dbraw/zinc/79/76/83/845797683.db2.gz AYTGZBISTMGXGW-RHSMWYFYSA-N 0 3 361.490 1.227 20 10 FDCDHN C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@]2(C)C1 ZINC000913284577 861798908 /nfs/dbraw/zinc/79/89/08/861798908.db2.gz PRXSVJNDRNKQGM-IRXDYDNUSA-N 0 3 367.471 1.178 20 10 FDCDHN CN1CCN(c2ccc(CN[C@@H](C(N)=O)c3ccc(F)cc3)cc2)CC1 ZINC000905790730 852262232 /nfs/dbraw/zinc/26/22/32/852262232.db2.gz ZYSRNVIELIJFNX-LJQANCHMSA-N 0 3 356.445 1.894 20 10 FDCDHN CN(C)c1ccc(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1F ZINC000914014494 870348849 /nfs/dbraw/zinc/34/88/49/870348849.db2.gz ZZSIMLAAUYEYQZ-KRWDZBQOSA-N 0 3 355.479 1.797 20 10 FDCDHN COc1ccc(N2CCN(CCNC(=O)CN3CCC(C)CC3)CC2)cc1 ZINC000762110288 875201676 /nfs/dbraw/zinc/20/16/76/875201676.db2.gz JKJAMDIWMSYYLN-UHFFFAOYSA-N 0 3 374.529 1.665 20 10 FDCDHN CC1CC(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001078253713 898533443 /nfs/dbraw/zinc/53/34/43/898533443.db2.gz NTWSZLBCTXXVCW-DCNYZXSGSA-N 0 3 359.430 1.670 20 10 FDCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ncccn1)c1ccc(N2CCOCC2)cc1 ZINC000112536852 903536815 /nfs/dbraw/zinc/53/68/15/903536815.db2.gz FYLDZHKGULYXAE-CABCVRRESA-N 0 3 355.442 1.991 20 10 FDCDHN COc1ccc(N2CCN(CCNCc3cnc4n3CCOC4)CC2)cc1 ZINC000921606057 908539760 /nfs/dbraw/zinc/53/97/60/908539760.db2.gz GNMUAKUQHNNQOK-UHFFFAOYSA-N 0 3 371.485 1.334 20 10 FDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000770591780 930129665 /nfs/dbraw/zinc/12/96/65/930129665.db2.gz UDLYBERVLDLODH-KRWDZBQOSA-N 0 3 361.534 1.886 20 10 FDCDHN CN(CCN(C)C1CC1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806276396 939876627 /nfs/dbraw/zinc/87/66/27/939876627.db2.gz OHKFDFGZBDRTNA-UHFFFAOYSA-N 0 3 356.517 1.294 20 10 FDCDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701626 940880276 /nfs/dbraw/zinc/88/02/76/940880276.db2.gz ZYZBVHDZDRNTHZ-FUHWJXTLSA-N 0 3 363.477 1.957 20 10 FDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000809709454 940889793 /nfs/dbraw/zinc/88/97/93/940889793.db2.gz FJTPASWVIDDCKP-ZDUSSCGKSA-N 0 3 362.879 1.958 20 10 FDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1F ZINC000817810918 942965163 /nfs/dbraw/zinc/96/51/63/942965163.db2.gz BIHSXFIKXRRARL-AWEZNQCLSA-N 0 3 350.438 1.061 20 10 FDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](c3ccncc3)C1)cc2=O ZINC000821269079 944405295 /nfs/dbraw/zinc/40/52/95/944405295.db2.gz CLNASXYWFMALRE-CQSZACIVSA-N 0 3 367.409 1.996 20 10 FDCDHN CN1CCN(c2ccc(CNCc3nc(-c4ccccn4)n[nH]3)cc2)CC1 ZINC000825188634 947066524 /nfs/dbraw/zinc/06/65/24/947066524.db2.gz LJWRIBJVHGZJGU-UHFFFAOYSA-N 0 3 363.469 1.908 20 10 FDCDHN COc1ccc(N(C)CCN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000844401516 948031811 /nfs/dbraw/zinc/03/18/11/948031811.db2.gz ONEUKZMTAKWENH-UHFFFAOYSA-N 0 3 360.414 1.833 20 10 FDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000775712806 971660371 /nfs/dbraw/zinc/66/03/71/971660371.db2.gz IUKIYDUSMADCAQ-KRWDZBQOSA-N 0 3 351.516 1.305 20 10 FDCDHN CC(C)N(C(=O)c1cc(O)c([O-])c(O)c1)c1ncnc2c1CC[NH2+]CC2 ZINC001148582829 952757785 /nfs/dbraw/zinc/75/77/85/952757785.db2.gz MVKKTRMXUSOYAH-UHFFFAOYSA-N 0 3 358.398 1.337 20 10 FDCDHN COc1cccc(C2([NH3+])CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)c1 ZINC001148591042 952761240 /nfs/dbraw/zinc/76/12/40/952761240.db2.gz RVHTWKQJBYFRNJ-UHFFFAOYSA-N 0 3 358.394 1.902 20 10 FDCDHN [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc(I)cc2[O-])C1 ZINC001206432489 965611457 /nfs/dbraw/zinc/61/14/57/965611457.db2.gz CAMKLPQWHQAFFX-MWLCHTKSSA-N 0 3 350.175 1.868 20 10 FDCDHN CCN(C(=O)CN[C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775369710 967685092 /nfs/dbraw/zinc/68/50/92/967685092.db2.gz FUDGXZAKUUYPJV-QWHCGFSZSA-N 0 3 370.471 1.087 20 10 FDCDHN CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000775370886 967696001 /nfs/dbraw/zinc/69/60/01/967696001.db2.gz XFZYBWOMVBVHDM-JKDFXYPNSA-N 0 3 352.431 1.755 20 10 FDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775373031 967742410 /nfs/dbraw/zinc/74/24/10/967742410.db2.gz LHUXLQLYLMOOBR-IUCAKERBSA-N 0 3 363.336 1.828 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000775376337 967766594 /nfs/dbraw/zinc/76/65/94/967766594.db2.gz UDVUGJXRTARKBB-KBPBESRZSA-N 0 3 363.458 1.569 20 10 FDCDHN O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000863643604 973079853 /nfs/dbraw/zinc/07/98/53/973079853.db2.gz PRMFPPWMXNQWOV-HIFRSBDPSA-N 0 3 369.824 1.942 20 10 FDCDHN CCCn1cc(CNCCCN2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000865405644 974280211 /nfs/dbraw/zinc/28/02/11/974280211.db2.gz PUBWNUJLAHRURV-UHFFFAOYSA-N 0 3 372.517 1.999 20 10 FDCDHN COc1cc(O)c(CN[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1OC ZINC000776223974 975182780 /nfs/dbraw/zinc/18/27/80/975182780.db2.gz QIPJCYZQHUCXJP-SMDDNHRTSA-N 0 3 360.414 1.427 20 10 FDCDHN COc1ccc(N2CCC(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2)cc1 ZINC000847306168 975446798 /nfs/dbraw/zinc/44/67/98/975446798.db2.gz QVCBWFIMIYKNHY-ZWKOTPCHSA-N 0 3 374.485 1.124 20 10 FDCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c1[O-] ZINC000848553500 976901392 /nfs/dbraw/zinc/90/13/92/976901392.db2.gz UGSBMHKSARAKLS-GXSJLCMTSA-N 0 3 371.235 1.467 20 10 FDCDHN CN1CCCc2cc(CNC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)ccc21 ZINC000851656108 978986316 /nfs/dbraw/zinc/98/63/16/978986316.db2.gz GYKAQTIBSXVXMM-UHFFFAOYSA-N 0 3 356.430 1.023 20 10 FDCDHN CN1CCN(c2ccc(CNCc3cn(C[C@H]4CCCO4)nn3)cc2)CC1 ZINC000883282891 982044482 /nfs/dbraw/zinc/04/44/82/982044482.db2.gz JTHHCKDDRABCBF-HXUWFJFHSA-N 0 3 370.501 1.499 20 10 FDCDHN CN(C)c1cc(F)c(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1F ZINC000862386959 984369843 /nfs/dbraw/zinc/36/98/43/984369843.db2.gz FHUTYJZWMQQDPF-OAHLLOKOSA-N 0 3 366.456 1.817 20 10 FDCDHN C[C@](O)(C[C@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000872209674 987516754 /nfs/dbraw/zinc/51/67/54/987516754.db2.gz OOCABLATDUUFHJ-KXBFYZLASA-N 0 3 370.440 1.803 20 10 FDCDHN COc1ccc(CNCC2(CS(C)(=O)=O)CC2)cc1Cn1cccn1 ZINC000873072252 988508240 /nfs/dbraw/zinc/50/82/40/988508240.db2.gz VKOOYIUCYZNYFX-UHFFFAOYSA-N 0 3 363.483 1.854 20 10 FDCDHN Cn1cccc1C(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000368859027 989013430 /nfs/dbraw/zinc/01/34/30/989013430.db2.gz LMIGDGFBNHMRFU-UHFFFAOYSA-N 0 3 357.410 1.854 20 10 FDCDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000365013980 989957122 /nfs/dbraw/zinc/95/71/22/989957122.db2.gz RYHBVJBXEOIZMS-DRDHIDPGSA-N 0 3 359.426 1.052 20 10 FDCDHN C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000874835249 990559346 /nfs/dbraw/zinc/55/93/46/990559346.db2.gz XSEMLFCZYDILFJ-KGLIPLIRSA-N 0 3 353.444 1.072 20 10 FDCDHN C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000874835249 990559353 /nfs/dbraw/zinc/55/93/53/990559353.db2.gz XSEMLFCZYDILFJ-KGLIPLIRSA-N 0 3 353.444 1.072 20 10 FDCDHN CCN1CCN(c2ccc(CNCc3cnc(N)nc3N)cc2F)CC1 ZINC000877011332 993008589 /nfs/dbraw/zinc/00/85/89/993008589.db2.gz AGFVIABTAMHWOP-UHFFFAOYSA-N 0 3 359.453 1.212 20 10 FDCDHN Cn1cc(N2CC[C@H](NCc3ccc(N4CCC(O)CC4)cc3)C2=O)cn1 ZINC000877045398 993027957 /nfs/dbraw/zinc/02/79/57/993027957.db2.gz BPAAEZIVYDVTMP-IBGZPJMESA-N 0 3 369.469 1.276 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000877227464 993117910 /nfs/dbraw/zinc/11/79/10/993117910.db2.gz JPJTXLYQYBSRFH-INIZCTEOSA-N 0 3 363.458 1.121 20 10 FDCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877326564 993210818 /nfs/dbraw/zinc/21/08/18/993210818.db2.gz XQWFLHKYPNULRP-LJQANCHMSA-N 0 3 350.459 1.706 20 10 FDCDHN C[C@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CS1(=O)=O ZINC000877628562 993393363 /nfs/dbraw/zinc/39/33/63/993393363.db2.gz IECPAMMZXRNPPV-HOCLYGCPSA-N 0 3 352.500 1.703 20 10 FDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000796481229 1015853472 /nfs/dbraw/zinc/85/34/72/1015853472.db2.gz CSDJKPQQQJJRED-CJNGLKHVSA-N 0 3 356.488 1.989 20 10 FDCDHN COc1cccc([C@H](C)NCC(=O)NCC(=O)NCc2ccccc2)c1O ZINC000926964849 996376382 /nfs/dbraw/zinc/37/63/82/996376382.db2.gz NYWRXRGGLRRLLQ-AWEZNQCLSA-N 0 3 371.437 1.484 20 10 FDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCOCC1)C[C@H]1CCCO1 ZINC000929972731 1002679518 /nfs/dbraw/zinc/67/95/18/1002679518.db2.gz UEGYWVZQWLLAKE-SJLPKXTDSA-N 0 3 351.443 1.276 20 10 FDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCOCC1)C[C@H]1CCCO1 ZINC000929972731 1002679527 /nfs/dbraw/zinc/67/95/27/1002679527.db2.gz UEGYWVZQWLLAKE-SJLPKXTDSA-N 0 3 351.443 1.276 20 10 FDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCc2ccoc2)N(C)C)cc1 ZINC000930989567 1003746030 /nfs/dbraw/zinc/74/60/30/1003746030.db2.gz ROBKPUMBMFHTNJ-GOSISDBHSA-N 0 3 372.469 1.423 20 10 FDCDHN O=C(CN1CCCC1)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093046774 1007510965 /nfs/dbraw/zinc/51/09/65/1007510965.db2.gz GNCOFPCZDSPZAH-UHFFFAOYSA-N 0 3 372.513 1.263 20 10 FDCDHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000060339529 522361568 /nfs/dbraw/zinc/36/15/68/522361568.db2.gz WJEFTNQHPUHWTC-CYBMUJFWSA-N 0 3 369.487 1.614 20 10 FDCDHN CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000060339529 522361578 /nfs/dbraw/zinc/36/15/78/522361578.db2.gz WJEFTNQHPUHWTC-CYBMUJFWSA-N 0 3 369.487 1.614 20 10 FDCDHN C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000068007833 523663727 /nfs/dbraw/zinc/66/37/27/523663727.db2.gz VNKLCGCJIMMUAQ-ZDUSSCGKSA-N 0 3 369.487 1.758 20 10 FDCDHN C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000068007833 523663737 /nfs/dbraw/zinc/66/37/37/523663737.db2.gz VNKLCGCJIMMUAQ-ZDUSSCGKSA-N 0 3 369.487 1.758 20 10 FDCDHN CN(C)CCN1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000153329340 525181068 /nfs/dbraw/zinc/18/10/68/525181068.db2.gz ORMNKLHKBJMKDM-UHFFFAOYSA-N 0 3 371.529 1.888 20 10 FDCDHN CCN1CCN(c2ccc(CNC(=O)C(C)S(C)(=O)=O)cc2F)CC1 ZINC000106702746 525773682 /nfs/dbraw/zinc/77/36/82/525773682.db2.gz PHBPOCGNFFTDKA-ZDUSSCGKSA-N 0 3 371.478 1.017 20 10 FDCDHN COCCN(C)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000171199322 525892587 /nfs/dbraw/zinc/89/25/87/525892587.db2.gz DGRQJHUEBHPYEP-UHFFFAOYSA-N 0 3 368.453 1.040 20 10 FDCDHN Cc1cccc(CNCc2ccccc2S(=O)(=O)N(C)CCO)c1O ZINC000182207981 526093825 /nfs/dbraw/zinc/09/38/25/526093825.db2.gz ZJVZEUJDNKKIHS-UHFFFAOYSA-N 0 3 364.467 1.603 20 10 FDCDHN COc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1[O-] ZINC000171841889 526146458 /nfs/dbraw/zinc/14/64/58/526146458.db2.gz GNZORTJVABALFH-UHFFFAOYSA-N 0 3 364.414 1.755 20 10 FDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000185309497 536204927 /nfs/dbraw/zinc/20/49/27/536204927.db2.gz ABNOTLIHHBFLNB-INIZCTEOSA-N 0 3 369.469 1.880 20 10 FDCDHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000268189495 537012059 /nfs/dbraw/zinc/01/20/59/537012059.db2.gz DOCUJCMDXOEKEL-ZDUSSCGKSA-N 0 3 369.487 1.471 20 10 FDCDHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000268189495 537012062 /nfs/dbraw/zinc/01/20/62/537012062.db2.gz DOCUJCMDXOEKEL-ZDUSSCGKSA-N 0 3 369.487 1.471 20 10 FDCDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272508430 537288966 /nfs/dbraw/zinc/28/89/66/537288966.db2.gz WZGOGPFZNCJGLK-MJGOQNOKSA-N 0 3 358.486 1.759 20 10 FDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1OC ZINC000284743907 537503281 /nfs/dbraw/zinc/50/32/81/537503281.db2.gz DRLGVNNCJQWXAW-BFUOFWGJSA-N 0 3 374.441 1.595 20 10 FDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3[C@H]3CCCO3)CC2)cc1 ZINC000284809212 537567181 /nfs/dbraw/zinc/56/71/81/537567181.db2.gz PCZIOJCLNFEVFJ-VQTJNVASSA-N 0 3 373.497 1.987 20 10 FDCDHN CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275967617 537601957 /nfs/dbraw/zinc/60/19/57/537601957.db2.gz WPZCZJSXOXQRRG-SECBINFHSA-N 0 3 351.266 1.663 20 10 FDCDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000237723200 537638058 /nfs/dbraw/zinc/63/80/58/537638058.db2.gz MRMIMBHNMWLVNX-IBGZPJMESA-N 0 3 373.403 1.994 20 10 FDCDHN COc1cc(Br)cc(CN2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000366479492 537769180 /nfs/dbraw/zinc/76/91/80/537769180.db2.gz GXHGXLGOUJSRAC-WDEREUQCSA-N 0 3 369.215 1.258 20 10 FDCDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372463120 537957822 /nfs/dbraw/zinc/95/78/22/537957822.db2.gz GDHGUODNWARKNB-SFHVURJKSA-N 0 3 360.502 1.931 20 10 FDCDHN Cc1cccc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000368016083 537971618 /nfs/dbraw/zinc/97/16/18/537971618.db2.gz AYKRUMFTALKSMY-INIZCTEOSA-N 0 3 354.472 1.327 20 10 FDCDHN COc1ccc(O)c([C@H](C)N2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000368028680 537973004 /nfs/dbraw/zinc/97/30/04/537973004.db2.gz FMTZGGWKXWMNPL-RYRKJORJSA-N 0 3 363.502 1.799 20 10 FDCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000273489461 674542495 /nfs/dbraw/zinc/54/24/95/674542495.db2.gz OBLZLUPWRGUGCO-DZGCQCFKSA-N 0 3 372.487 1.540 20 10 FDCDHN CN1CCN(C)[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000277491977 674954189 /nfs/dbraw/zinc/95/41/89/674954189.db2.gz QMYQBTQDDWFKSI-LBPRGKRZSA-N 0 3 371.279 1.200 20 10 FDCDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000111845277 671633829 /nfs/dbraw/zinc/63/38/29/671633829.db2.gz CUFGDZVOSARINV-HNNXBMFYSA-N 0 3 352.454 1.802 20 10 FDCDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2[O-])cc1 ZINC000238099640 672433617 /nfs/dbraw/zinc/43/36/17/672433617.db2.gz VPPMLILPRSHARA-UHFFFAOYSA-N 0 3 351.384 1.369 20 10 FDCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](N)CCC(=O)OC ZINC000288734481 676047281 /nfs/dbraw/zinc/04/72/81/676047281.db2.gz LTSOGCRMHOMOAI-GFCCVEGCSA-N 0 3 373.247 1.784 20 10 FDCDHN CC[NH+]1CCC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000266579164 673151785 /nfs/dbraw/zinc/15/17/85/673151785.db2.gz UJUZAKVODOSASL-UHFFFAOYSA-N 0 3 369.487 1.616 20 10 FDCDHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267371069 673297007 /nfs/dbraw/zinc/29/70/07/673297007.db2.gz STOBJOMRLSYTSG-AAEUAGOBSA-N 0 3 355.460 1.366 20 10 FDCDHN COc1cc(O)c(CN2CCC(CNS(C)(=O)=O)CC2)cc1OC ZINC000284968160 675773400 /nfs/dbraw/zinc/77/34/00/675773400.db2.gz CRVLNQUOYVMZKH-UHFFFAOYSA-N 0 3 358.460 1.171 20 10 FDCDHN C[C@@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000296380548 676418165 /nfs/dbraw/zinc/41/81/65/676418165.db2.gz JPQIIDJUURPARC-CRAIPNDOSA-N 0 3 352.500 1.877 20 10 FDCDHN C[C@H]([NH2+][C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1[O-] ZINC000367780630 677495680 /nfs/dbraw/zinc/49/56/80/677495680.db2.gz DMDIALJGQMKLNF-GJZGRUSLSA-N 0 3 369.487 1.084 20 10 FDCDHN