smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1(CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CCCCC1 ZINC000159537192 239030480 /nfs/dbraw/zinc/03/04/80/239030480.db2.gz IAIVRMLBEOPIRF-KRWDZBQOSA-N 1 0 333.451 2.568 20 70 EFIDRO [NH3+]CC(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC000161088796 239060755 /nfs/dbraw/zinc/06/07/55/239060755.db2.gz ZIKLPDBYIBWYLJ-UHFFFAOYSA-N 1 0 335.201 2.816 20 70 EFIDRO O=C1CN(CCC[NH+]2CCCCC2)CCN1Cc1ccc(Cl)cc1 ZINC000161201437 239065627 /nfs/dbraw/zinc/06/56/27/239065627.db2.gz IJTQMCUCWUGTKQ-UHFFFAOYSA-N 1 0 349.906 2.860 20 70 EFIDRO COCCN(C)CC[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000159405004 206244637 /nfs/dbraw/zinc/24/46/37/206244637.db2.gz XAHHVCFHGQUUAD-GFCCVEGCSA-N 1 0 330.856 2.586 20 70 EFIDRO Cc1c(/C=C/C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000159443698 206247223 /nfs/dbraw/zinc/24/72/23/206247223.db2.gz WJHJIAGQWAMFTG-COAGQGPPSA-N 1 0 332.492 2.616 20 70 EFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000159468939 206246752 /nfs/dbraw/zinc/24/67/52/206246752.db2.gz NXWQDVDMNCIIAN-BDAKNGLRSA-N 1 0 338.757 2.998 20 70 EFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000159389299 206242434 /nfs/dbraw/zinc/24/24/34/206242434.db2.gz KBHBCKDXMCBKPL-ZBFHGGJFSA-N 1 0 340.489 2.547 20 70 EFIDRO COC(=O)c1cc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)c[nH]1 ZINC000159392165 206242577 /nfs/dbraw/zinc/24/25/77/206242577.db2.gz HZASLALNLRBQIA-UHFFFAOYSA-N 1 0 329.444 2.802 20 70 EFIDRO CCCOc1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1OC ZINC000159606262 206254339 /nfs/dbraw/zinc/25/43/39/206254339.db2.gz SEERHCUPOQPVOS-UHFFFAOYSA-N 1 0 349.475 2.721 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)ccn1 ZINC000159613520 206254649 /nfs/dbraw/zinc/25/46/49/206254649.db2.gz AOFYZEVVQBWZDB-HNNXBMFYSA-N 1 0 334.464 2.542 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000159644016 206256261 /nfs/dbraw/zinc/25/62/61/206256261.db2.gz LOOLYRIBGZJIDN-SJLPKXTDSA-N 1 0 335.492 2.523 20 70 EFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000159633851 206256467 /nfs/dbraw/zinc/25/64/67/206256467.db2.gz UHSMFLMOVIXAOQ-SFHVURJKSA-N 1 0 330.472 2.612 20 70 EFIDRO C[C@H]1OCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1C ZINC000159629563 206256523 /nfs/dbraw/zinc/25/65/23/206256523.db2.gz SBWPXNWNDQOUDJ-JZXOWHBKSA-N 1 0 331.460 2.642 20 70 EFIDRO O=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@@H]1C[NH2+]CCO1 ZINC000159623863 206256692 /nfs/dbraw/zinc/25/66/92/206256692.db2.gz RKNMYQIGNPBOTE-KRWDZBQOSA-N 1 0 346.814 2.846 20 70 EFIDRO CCc1ccc([C@@H](C)CC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000159688358 206259177 /nfs/dbraw/zinc/25/91/77/206259177.db2.gz HWXXWVYHBWQMNL-SFHVURJKSA-N 1 0 345.531 2.839 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000159716626 206259515 /nfs/dbraw/zinc/25/95/15/206259515.db2.gz BRCXXYWOIYCNFD-UHFFFAOYSA-N 1 0 340.471 2.974 20 70 EFIDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(OC)c1OC ZINC000159490010 206248128 /nfs/dbraw/zinc/24/81/28/206248128.db2.gz AWZFJHNYMCDFPY-KKXDTOCCSA-N 1 0 333.428 2.760 20 70 EFIDRO CCOc1ccccc1NC(=O)CC[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159498738 206248773 /nfs/dbraw/zinc/24/87/73/206248773.db2.gz IDSCKQQCMASUSE-UHFFFAOYSA-N 1 0 348.443 2.832 20 70 EFIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000159529078 206249861 /nfs/dbraw/zinc/24/98/61/206249861.db2.gz LIDIPZGSBSYMLA-ZDUSSCGKSA-N 1 0 337.489 2.999 20 70 EFIDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159513838 206250481 /nfs/dbraw/zinc/25/04/81/206250481.db2.gz AUJPDHOOYPUNGE-XWIAVFTESA-N 1 0 333.428 2.760 20 70 EFIDRO COc1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc(OC)c1OC ZINC000159508772 206250614 /nfs/dbraw/zinc/25/06/14/206250614.db2.gz VGHYKQZGTPOCPS-BVGQSLNGSA-N 1 0 333.428 2.760 20 70 EFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCSC2)c(OC)c1 ZINC000159534148 206251146 /nfs/dbraw/zinc/25/11/46/206251146.db2.gz SJLHLBQYVJVBPE-QWHCGFSZSA-N 1 0 338.473 2.906 20 70 EFIDRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H](C)O)ccc2c1 ZINC000159566824 206252354 /nfs/dbraw/zinc/25/23/54/206252354.db2.gz KXDUOYMSUDCSJD-GJZGRUSLSA-N 1 0 344.455 2.508 20 70 EFIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000159571093 206252459 /nfs/dbraw/zinc/25/24/59/206252459.db2.gz ZGSNTNDRPXHPEV-KDOFPFPSSA-N 1 0 334.435 2.721 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccco1 ZINC000159592101 206252489 /nfs/dbraw/zinc/25/24/89/206252489.db2.gz YRYWIHPHGPJZLA-JZXOWHBKSA-N 1 0 349.475 2.919 20 70 EFIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000159571361 206253396 /nfs/dbraw/zinc/25/33/96/206253396.db2.gz ZGSNTNDRPXHPEV-RDTXWAMCSA-N 1 0 334.435 2.721 20 70 EFIDRO [NH3+]C1(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)CCCCC1 ZINC000159741492 206261220 /nfs/dbraw/zinc/26/12/20/206261220.db2.gz XMFDSFHAOVFZGL-UHFFFAOYSA-N 1 0 341.411 2.923 20 70 EFIDRO O=C(c1cc(-c2ccccc2)on1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159776504 206262718 /nfs/dbraw/zinc/26/27/18/206262718.db2.gz LYCSXOFYRIXVSI-UHFFFAOYSA-N 1 0 325.412 2.946 20 70 EFIDRO C[NH+]1CCC(CCNC(=O)NCCOc2ccccc2Cl)CC1 ZINC000159770834 206261733 /nfs/dbraw/zinc/26/17/33/206261733.db2.gz IWMCGYDBMFHSLX-UHFFFAOYSA-N 1 0 339.867 2.750 20 70 EFIDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC(=O)c1ccc(C)cc1)CC2 ZINC000159798918 206263466 /nfs/dbraw/zinc/26/34/66/206263466.db2.gz RKLHQFOWOTZIPI-RTBURBONSA-N 1 0 331.456 2.820 20 70 EFIDRO CCc1c(NC(=O)[C@H](C)[NH3+])n[nH]c1-c1ccc(Br)cc1 ZINC000159784334 206264396 /nfs/dbraw/zinc/26/43/96/206264396.db2.gz UFBORECPVMBOKT-QMMMGPOBSA-N 1 0 337.221 2.687 20 70 EFIDRO CC[C@H](C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[NH+](C)C ZINC000159820650 206264996 /nfs/dbraw/zinc/26/49/96/206264996.db2.gz GIGKBLKXLFFTAU-QGZVFWFLSA-N 1 0 331.460 2.837 20 70 EFIDRO CC[C@@H](CNC(=O)C1([NH3+])CC1)Cc1cccc(Br)c1 ZINC000159756092 206262971 /nfs/dbraw/zinc/26/29/71/206262971.db2.gz IZGAHLDBBWRQPZ-LLVKDONJSA-N 1 0 325.250 2.625 20 70 EFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000159830412 206265626 /nfs/dbraw/zinc/26/56/26/206265626.db2.gz UXVTXAGZFBPCKU-IAGOWNOFSA-N 1 0 331.504 2.670 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000159830408 206265906 /nfs/dbraw/zinc/26/59/06/206265906.db2.gz HBZLKBQGPPSOGZ-UHFFFAOYSA-N 1 0 340.265 2.686 20 70 EFIDRO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159864176 206267229 /nfs/dbraw/zinc/26/72/29/206267229.db2.gz GBNODRSOERVQEP-CQSZACIVSA-N 1 0 331.485 2.951 20 70 EFIDRO C[C@@H]1[C@H](C)OCCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000159866602 206267262 /nfs/dbraw/zinc/26/72/62/206267262.db2.gz ODVCBNXBBLIPSW-CVEARBPZSA-N 1 0 331.460 2.601 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1 ZINC000159870663 206269126 /nfs/dbraw/zinc/26/91/26/206269126.db2.gz RFOPWXBGESYCAT-IEBWSBKVSA-N 1 0 333.476 2.626 20 70 EFIDRO COC[C@H]1CCCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000159920492 206269539 /nfs/dbraw/zinc/26/95/39/206269539.db2.gz VHNDULNFFBXBFM-WDSOQIARSA-N 1 0 345.487 2.575 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](OC)c2cccc(Cl)c2)CC1 ZINC000159926285 206269594 /nfs/dbraw/zinc/26/95/94/206269594.db2.gz IUEZQKCRDCSRLY-INIZCTEOSA-N 1 0 339.867 2.765 20 70 EFIDRO C[C@@H](Sc1ccncc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159939201 206272177 /nfs/dbraw/zinc/27/21/77/206272177.db2.gz SMIXZKQDIIGHPE-NVXWUHKLSA-N 1 0 341.480 2.953 20 70 EFIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnc(-n2cccn2)c1 ZINC000159936152 206272469 /nfs/dbraw/zinc/27/24/69/206272469.db2.gz HOUUMELLSMYBQK-INIZCTEOSA-N 1 0 341.459 2.652 20 70 EFIDRO CCC[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(=O)OCC ZINC000159896491 206270762 /nfs/dbraw/zinc/27/07/62/206270762.db2.gz ZZHVPLAMTQBUDO-MAUKXSAKSA-N 1 0 333.476 2.928 20 70 EFIDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC(C)(C)[NH3+] ZINC000159951081 206271225 /nfs/dbraw/zinc/27/12/25/206271225.db2.gz KGWMJRURGMZUBK-UHFFFAOYSA-N 1 0 334.851 2.669 20 70 EFIDRO COCC1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159956532 206271633 /nfs/dbraw/zinc/27/16/33/206271633.db2.gz QPRAQFYOFRFMTK-LPHOPBHVSA-N 1 0 345.487 2.575 20 70 EFIDRO CC[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)Oc1ccccc1F ZINC000159946984 206271838 /nfs/dbraw/zinc/27/18/38/206271838.db2.gz KAUKILIMGQHLPC-HNNXBMFYSA-N 1 0 337.439 2.720 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccccn1 ZINC000159977836 206273670 /nfs/dbraw/zinc/27/36/70/206273670.db2.gz ZLGBNFUMFKDZGV-LPHOPBHVSA-N 1 0 338.455 2.744 20 70 EFIDRO C[NH+](C)CCOc1ccc(NC(=O)[C@H](O)c2ccccc2Cl)cc1 ZINC000160052781 206278045 /nfs/dbraw/zinc/27/80/45/206278045.db2.gz YDSPFWNOYRDWOQ-QGZVFWFLSA-N 1 0 348.830 2.953 20 70 EFIDRO O=C(NCC1(c2cccc(Br)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000160050573 206277250 /nfs/dbraw/zinc/27/72/50/206277250.db2.gz PLBIWOKZZBTCSF-AWEZNQCLSA-N 1 0 337.261 2.739 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000160107311 206278770 /nfs/dbraw/zinc/27/87/70/206278770.db2.gz UQWURTGTVAGDMJ-OAHLLOKOSA-N 1 0 340.464 2.773 20 70 EFIDRO Cc1ccc(-n2ncc(C(=O)NCC(C)(C)[NH3+])c2C(F)(F)F)cc1 ZINC000160082133 206278935 /nfs/dbraw/zinc/27/89/35/206278935.db2.gz QGHYFXDEPYMNHJ-UHFFFAOYSA-N 1 0 340.349 2.667 20 70 EFIDRO CCOCCN(CC)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160077938 206279122 /nfs/dbraw/zinc/27/91/22/206279122.db2.gz HWLSHOZBJOKEQE-WMZOPIPTSA-N 1 0 333.476 2.717 20 70 EFIDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160095552 206279149 /nfs/dbraw/zinc/27/91/49/206279149.db2.gz BPFROOOPXUEGGP-KBXCAEBGSA-N 1 0 332.469 2.987 20 70 EFIDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(-n2cncn2)cc1 ZINC000160119513 206280001 /nfs/dbraw/zinc/28/00/01/206280001.db2.gz LPMVUOAHRUHHEF-CXAGYDPISA-N 1 0 328.441 2.887 20 70 EFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160129375 206280587 /nfs/dbraw/zinc/28/05/87/206280587.db2.gz HUKUFKRZXMUYTG-WMLDXEAASA-N 1 0 335.448 2.706 20 70 EFIDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc(Cl)n1 ZINC000160147876 206281748 /nfs/dbraw/zinc/28/17/48/206281748.db2.gz SHWNEDTUFJHWRB-UHFFFAOYSA-N 1 0 344.846 2.833 20 70 EFIDRO CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000160159591 206282091 /nfs/dbraw/zinc/28/20/91/206282091.db2.gz PVPSSFPANPIQBU-OIISXLGYSA-N 1 0 349.544 2.874 20 70 EFIDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCOC1 ZINC000160201921 206283407 /nfs/dbraw/zinc/28/34/07/206283407.db2.gz HLQQWKMSECTLBL-UEKVPHQBSA-N 1 0 326.799 2.599 20 70 EFIDRO O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160158980 206282649 /nfs/dbraw/zinc/28/26/49/206282649.db2.gz BQERFUIWOVWEBQ-OAHLLOKOSA-N 1 0 342.892 2.979 20 70 EFIDRO Cc1ccc(-n2nc(C(=O)N3CCC[C@H]3C[NH3+])c3c2CCC3)c(C)c1 ZINC000160180103 206284099 /nfs/dbraw/zinc/28/40/99/206284099.db2.gz UAFIPMIQQCVPHG-HNNXBMFYSA-N 1 0 338.455 2.541 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1Cl ZINC000160174279 206283802 /nfs/dbraw/zinc/28/38/02/206283802.db2.gz KYQLJOUMSOZMOU-GFCCVEGCSA-N 1 0 331.243 2.570 20 70 EFIDRO C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000160225981 206285308 /nfs/dbraw/zinc/28/53/08/206285308.db2.gz NFPIWGSRDGYCPC-CCKFTAQKSA-N 1 0 348.462 2.813 20 70 EFIDRO C[NH+](C)CC[C@H](NC(=O)NCc1ccc(O)c(F)c1)C(C)(C)C ZINC000160221967 206284761 /nfs/dbraw/zinc/28/47/61/206284761.db2.gz GCOQTVQZSXWRHL-HNNXBMFYSA-N 1 0 325.428 2.697 20 70 EFIDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160206337 206284826 /nfs/dbraw/zinc/28/48/26/206284826.db2.gz PLGHGKKQJRAELL-GOSISDBHSA-N 1 0 347.459 2.849 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@](C)(O)C2)c1 ZINC000160244879 206286568 /nfs/dbraw/zinc/28/65/68/206286568.db2.gz VQCGPBSDQSFLIA-LJQANCHMSA-N 1 0 333.476 2.585 20 70 EFIDRO O=C(/C=C/c1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160279286 206287445 /nfs/dbraw/zinc/28/74/45/206287445.db2.gz UJTJLQRPLSKEDP-PWHGLLLSSA-N 1 0 334.485 2.645 20 70 EFIDRO CCC(CC)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160235270 206285912 /nfs/dbraw/zinc/28/59/12/206285912.db2.gz RUPUGOZBSAZXSZ-GOSISDBHSA-N 1 0 332.488 2.707 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000160349559 206290695 /nfs/dbraw/zinc/29/06/95/206290695.db2.gz KOZUXUQOPLWZNC-CQSZACIVSA-N 1 0 329.425 2.564 20 70 EFIDRO COc1cccc(C2(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC000160304712 206289774 /nfs/dbraw/zinc/28/97/74/206289774.db2.gz KEQQXAQLISQKCQ-HNNXBMFYSA-N 1 0 331.460 2.858 20 70 EFIDRO CCC[C@@H](C)[NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160341820 206291788 /nfs/dbraw/zinc/29/17/88/206291788.db2.gz NMUSGMMHOAARPK-NVXWUHKLSA-N 1 0 336.476 2.855 20 70 EFIDRO COc1ccc([C@H](C[NH2+][C@H](C)CC2CC2)N2CCOCC2)cc1OC ZINC000160351718 206292680 /nfs/dbraw/zinc/29/26/80/206292680.db2.gz SRJWUZKBJQZVBV-QAPCUYQASA-N 1 0 348.487 2.855 20 70 EFIDRO Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160443928 206296878 /nfs/dbraw/zinc/29/68/78/206296878.db2.gz DDSSRDVLXOMLNC-ANMDKAQQSA-N 1 0 342.483 2.892 20 70 EFIDRO O=C(CC1CC[NH2+]CC1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000160390151 206294629 /nfs/dbraw/zinc/29/46/29/206294629.db2.gz DIPQSGLVBCNVKS-MRXNPFEDSA-N 1 0 332.419 2.637 20 70 EFIDRO CC1CC[NH+](CCCNS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000160446734 206297159 /nfs/dbraw/zinc/29/71/59/206297159.db2.gz XIQWCPYIMFJSQQ-UHFFFAOYSA-N 1 0 346.443 2.506 20 70 EFIDRO COc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1SC ZINC000160499891 206300236 /nfs/dbraw/zinc/30/02/36/206300236.db2.gz YVCICFJDRSCPLD-FZMZJTMJSA-N 1 0 332.473 2.983 20 70 EFIDRO CC(=O)Nc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1F ZINC000160498181 206300340 /nfs/dbraw/zinc/30/03/40/206300340.db2.gz NLQLHQFMFCBGLU-OAHLLOKOSA-N 1 0 335.423 2.634 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C(C)C)C1 ZINC000160543928 206302879 /nfs/dbraw/zinc/30/28/79/206302879.db2.gz MTHVGAHOCTXLDR-MRXNPFEDSA-N 1 0 339.439 2.868 20 70 EFIDRO O=C(C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)NCC(F)(F)F ZINC000160540916 206303499 /nfs/dbraw/zinc/30/34/99/206303499.db2.gz GTASYVJEIAAOSO-LLVKDONJSA-N 1 0 336.741 2.822 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160759183 206312867 /nfs/dbraw/zinc/31/28/67/206312867.db2.gz BNZBQLSQEVIXBT-GFCCVEGCSA-N 1 0 347.385 2.545 20 70 EFIDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000160792537 206313599 /nfs/dbraw/zinc/31/35/99/206313599.db2.gz WQPYLMBCVVNKSO-UHFFFAOYSA-N 1 0 343.471 2.525 20 70 EFIDRO CC[C@@H](O)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000160831848 206315806 /nfs/dbraw/zinc/31/58/06/206315806.db2.gz ZCJXNTSGXMRRTJ-GOSISDBHSA-N 1 0 333.476 2.633 20 70 EFIDRO O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000160851569 206316267 /nfs/dbraw/zinc/31/62/67/206316267.db2.gz UKMYYRBREXZOEI-UPCLLVRISA-N 1 0 342.464 2.933 20 70 EFIDRO O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000160851350 206317137 /nfs/dbraw/zinc/31/71/37/206317137.db2.gz UKMYYRBREXZOEI-VOIUYBSRSA-N 1 0 342.464 2.933 20 70 EFIDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000160946432 206320125 /nfs/dbraw/zinc/32/01/25/206320125.db2.gz XTMAUMVNWXAKTL-UHFFFAOYSA-N 1 0 346.443 2.647 20 70 EFIDRO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160970399 206320521 /nfs/dbraw/zinc/32/05/21/206320521.db2.gz QLVKWCCUYBPTIP-SHJAMOMRSA-N 1 0 344.499 2.922 20 70 EFIDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(F)n1)[NH+]1CCCC1 ZINC000160997481 206322040 /nfs/dbraw/zinc/32/20/40/206322040.db2.gz WUOKCXDRQOTJEF-MRXNPFEDSA-N 1 0 343.402 2.796 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 ZINC000160994566 206322709 /nfs/dbraw/zinc/32/27/09/206322709.db2.gz HFESOFKPVROIFT-UHFFFAOYSA-N 1 0 328.815 2.706 20 70 EFIDRO Cc1cc(=O)n2nc(CSCC[NH+](C(C)C)C(C)C)sc2n1 ZINC000161019685 206323820 /nfs/dbraw/zinc/32/38/20/206323820.db2.gz PNLBCCRUEKVYLW-UHFFFAOYSA-N 1 0 340.518 2.811 20 70 EFIDRO O=C(Nc1cnn(-c2ccccc2F)c1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161072961 206326891 /nfs/dbraw/zinc/32/68/91/206326891.db2.gz ZMAFJXATQCTMOU-VBNZEHGJSA-N 1 0 328.391 2.871 20 70 EFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000161112600 206329018 /nfs/dbraw/zinc/32/90/18/206329018.db2.gz DHXALKKIBXKIGU-LBPRGKRZSA-N 1 0 325.840 2.515 20 70 EFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000161112498 206329584 /nfs/dbraw/zinc/32/95/84/206329584.db2.gz DHXALKKIBXKIGU-GFCCVEGCSA-N 1 0 325.840 2.515 20 70 EFIDRO COc1cccc(O[C@@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000161129371 206329617 /nfs/dbraw/zinc/32/96/17/206329617.db2.gz LJXVPGMHANHMQN-KHYOSLBOSA-N 1 0 342.439 2.915 20 70 EFIDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160573786 206304869 /nfs/dbraw/zinc/30/48/69/206304869.db2.gz JFKZIRZPUUDLOE-LLVKDONJSA-N 1 0 340.349 2.510 20 70 EFIDRO CC(C)(C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000160572634 206304940 /nfs/dbraw/zinc/30/49/40/206304940.db2.gz CDKCNDTVLHHWRF-UHFFFAOYSA-N 1 0 345.487 2.565 20 70 EFIDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1OCC(=O)N(C)C ZINC000160586273 206305235 /nfs/dbraw/zinc/30/52/35/206305235.db2.gz NIMWQCYSNFUYIN-NXHRZFHOSA-N 1 0 348.487 2.745 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000161166222 206332852 /nfs/dbraw/zinc/33/28/52/206332852.db2.gz UVIFFBSDJGHFNF-MRXNPFEDSA-N 1 0 327.428 2.875 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000161193899 206334448 /nfs/dbraw/zinc/33/44/48/206334448.db2.gz BMSONBJATCSGBI-GHMZBOCLSA-N 1 0 331.243 2.971 20 70 EFIDRO COc1ccc(OCCC[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000161207708 206334958 /nfs/dbraw/zinc/33/49/58/206334958.db2.gz DRWYISJJPVONHO-UHFFFAOYSA-N 1 0 341.455 2.677 20 70 EFIDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000161217695 206335580 /nfs/dbraw/zinc/33/55/80/206335580.db2.gz UCKUPKWQCSAKGJ-NJAFHUGGSA-N 1 0 347.503 2.918 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2cccs2)N2CCCC2)CC1 ZINC000161210880 206335635 /nfs/dbraw/zinc/33/56/35/206335635.db2.gz DHUWWAKZBFGLAK-OFLPRAFFSA-N 1 0 335.517 2.922 20 70 EFIDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1OC ZINC000161221639 206335716 /nfs/dbraw/zinc/33/57/16/206335716.db2.gz CLSRBEFMWSUXCP-KGLIPLIRSA-N 1 0 333.432 2.866 20 70 EFIDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000161217923 206336218 /nfs/dbraw/zinc/33/62/18/206336218.db2.gz UCKUPKWQCSAKGJ-NXHRZFHOSA-N 1 0 347.503 2.918 20 70 EFIDRO CCc1ccc([C@H](C[NH2+]C2CCC(NC(C)=O)CC2)N(C)C)cc1 ZINC000161209606 206336333 /nfs/dbraw/zinc/33/63/33/206336333.db2.gz ZXFFESIYYKHCNL-MHJFOBGBSA-N 1 0 331.504 2.889 20 70 EFIDRO CC[C@H]([NH3+])C(=O)NC[C@@H](CC)Cc1cccc(Br)c1 ZINC000161224324 206336354 /nfs/dbraw/zinc/33/63/54/206336354.db2.gz PCAIYGHMQRSNGE-FZMZJTMJSA-N 1 0 327.266 2.871 20 70 EFIDRO CCc1ccc([C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)N(C)C)cc1 ZINC000161209469 206336621 /nfs/dbraw/zinc/33/66/21/206336621.db2.gz ZXFFESIYYKHCNL-SOAGJPPSSA-N 1 0 331.504 2.889 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1cccc(F)c1 ZINC000161262895 206337765 /nfs/dbraw/zinc/33/77/65/206337765.db2.gz AADUPVVYVPMPCV-HZPDHXFCSA-N 1 0 339.455 2.525 20 70 EFIDRO Cc1nnc(-c2ccc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cc2)o1 ZINC000161287402 206339212 /nfs/dbraw/zinc/33/92/12/206339212.db2.gz IGUIVVVGCAVEPM-BLLLJJGKSA-N 1 0 328.416 2.504 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2ccnc(OC3CCCC3)c2)CC1 ZINC000161282165 206339339 /nfs/dbraw/zinc/33/93/39/206339339.db2.gz MTFKYVQHJOWROW-UHFFFAOYSA-N 1 0 331.460 2.940 20 70 EFIDRO C[C@@]1(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CCC[NH2+]C1 ZINC000161322053 206341245 /nfs/dbraw/zinc/34/12/45/206341245.db2.gz LUHXMUKETDVOEL-MRXNPFEDSA-N 1 0 344.377 2.771 20 70 EFIDRO COC1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC[NH2+]CC1 ZINC000161335528 206342129 /nfs/dbraw/zinc/34/21/29/206342129.db2.gz CMZACIASBFZUDW-UHFFFAOYSA-N 1 0 336.407 2.854 20 70 EFIDRO COc1ccccc1N1CC[C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161405122 206345741 /nfs/dbraw/zinc/34/57/41/206345741.db2.gz LJRODRAPYULJDU-AOCRQIFASA-N 1 0 345.487 2.558 20 70 EFIDRO COc1ccccc1N1CC[C@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161405250 206346144 /nfs/dbraw/zinc/34/61/44/206346144.db2.gz LJRODRAPYULJDU-WWDZGPRUSA-N 1 0 345.487 2.558 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1cnn(C)c1C)c1ccco1 ZINC000161388932 206346561 /nfs/dbraw/zinc/34/65/61/206346561.db2.gz RAEUSELIPNHZJV-SCOAYWHSSA-N 1 0 330.432 2.534 20 70 EFIDRO CCC[N@@H+](Cc1cnc2cnccn12)C[C@@H]1COc2ccccc2O1 ZINC000161416462 206346710 /nfs/dbraw/zinc/34/67/10/206346710.db2.gz ZIHCJOFRFYWIAT-MRXNPFEDSA-N 1 0 338.411 2.781 20 70 EFIDRO O=C1CCCN1Cc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161428981 206347992 /nfs/dbraw/zinc/34/79/92/206347992.db2.gz CRCAFLBGYLORNK-UHFFFAOYSA-N 1 0 344.455 2.584 20 70 EFIDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1cc2ccccc2o1 ZINC000161426973 206348012 /nfs/dbraw/zinc/34/80/12/206348012.db2.gz WHKVPDIMNONWAQ-CQSZACIVSA-N 1 0 345.443 2.592 20 70 EFIDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000161436570 206348272 /nfs/dbraw/zinc/34/82/72/206348272.db2.gz HEOVVBKRDIGMGQ-SFHVURJKSA-N 1 0 332.488 2.984 20 70 EFIDRO O=C(NCCSCCCO)c1cccc(Oc2ccncc2)c1 ZINC000161471247 206349973 /nfs/dbraw/zinc/34/99/73/206349973.db2.gz FJUQHOLGNQWACQ-UHFFFAOYSA-N 1 0 332.425 2.719 20 70 EFIDRO CC(C)[C@H]([NH2+]Cc1cc(=O)c(O)co1)c1ccc2c(c1)OCCO2 ZINC000161477046 206351325 /nfs/dbraw/zinc/35/13/25/206351325.db2.gz KNJMTOISDJYNEV-SFHVURJKSA-N 1 0 331.368 2.604 20 70 EFIDRO CC(C)[C@@H]([NH2+]Cc1cc(=O)c(O)co1)c1ccc2c(c1)OCCO2 ZINC000161477211 206351671 /nfs/dbraw/zinc/35/16/71/206351671.db2.gz KNJMTOISDJYNEV-GOSISDBHSA-N 1 0 331.368 2.604 20 70 EFIDRO CC(C)(C)[C@@H](CCO)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000161482709 206351751 /nfs/dbraw/zinc/35/17/51/206351751.db2.gz CSBFNKKKOHGYMU-GOSISDBHSA-N 1 0 347.503 2.879 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000161496381 206352010 /nfs/dbraw/zinc/35/20/10/206352010.db2.gz XKDAXJSUJASQFC-KZULUSFZSA-N 1 0 344.411 2.987 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000161503844 206353781 /nfs/dbraw/zinc/35/37/81/206353781.db2.gz SGOUHSXUKXUKRI-ZSGPHXLJSA-N 1 0 330.428 2.714 20 70 EFIDRO O=C1Nc2ccccc2C12CCC([NH2+]CCOCC(F)(F)F)CC2 ZINC000159368898 284930221 /nfs/dbraw/zinc/93/02/21/284930221.db2.gz HURRAVVFAASCCB-UHFFFAOYSA-N 1 0 342.361 2.988 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000160728338 532956012 /nfs/dbraw/zinc/95/60/12/532956012.db2.gz JQVVADRPBQDGIM-CQSZACIVSA-N 1 0 326.362 2.947 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000161496872 533056434 /nfs/dbraw/zinc/05/64/34/533056434.db2.gz VKXYMSRGMKCXSH-OLZOCXBDSA-N 1 0 336.432 2.677 20 70 EFIDRO CCOc1cc2c(cc1OCC)CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC000159723515 286557300 /nfs/dbraw/zinc/55/73/00/286557300.db2.gz ODCNDMOGMWBRSK-IBGZPJMESA-N 1 0 348.487 2.955 20 70 EFIDRO CS[C@@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000160902738 286689325 /nfs/dbraw/zinc/68/93/25/286689325.db2.gz IVJHTZWEWCXYSG-KBPBESRZSA-N 1 0 336.505 2.658 20 70 EFIDRO Cc1nn(-c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)c(C)c1Cl ZINC000160173203 225352924 /nfs/dbraw/zinc/35/29/24/225352924.db2.gz UWYCIWIWOGIANB-OAHLLOKOSA-N 1 0 332.835 2.706 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc2c1CCC2 ZINC000160416155 225409111 /nfs/dbraw/zinc/40/91/11/225409111.db2.gz SYJODFHICIFJOT-UXHICEINSA-N 1 0 342.483 2.673 20 70 EFIDRO C[NH+](C)CC[C@@H](NC(=O)NCCc1ccc(Cl)nc1)C(C)(C)C ZINC000160903048 225503072 /nfs/dbraw/zinc/50/30/72/225503072.db2.gz HFRQBKNLCVKTMT-CQSZACIVSA-N 1 0 340.899 2.943 20 70 EFIDRO Cc1nccc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Cl ZINC000159879847 544799368 /nfs/dbraw/zinc/79/93/68/544799368.db2.gz ZYNSKWXTSLMQSL-VXGBXAGGSA-N 1 0 340.855 2.664 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC000160483822 544806603 /nfs/dbraw/zinc/80/66/03/544806603.db2.gz YUXRAQVSVFJFSQ-OAHLLOKOSA-N 1 0 328.416 2.587 20 70 EFIDRO C[C@@H](CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccncc1 ZINC000160876392 544809193 /nfs/dbraw/zinc/80/91/93/544809193.db2.gz LKPALEXEYIHELU-KRWDZBQOSA-N 1 0 345.487 2.679 20 70 EFIDRO CCOCCC1(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000161106333 544809840 /nfs/dbraw/zinc/80/98/40/544809840.db2.gz OFXYBXKIEHCIKH-KRWDZBQOSA-N 1 0 337.508 2.757 20 70 EFIDRO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161306503 544812846 /nfs/dbraw/zinc/81/28/46/544812846.db2.gz XGLVSAMVZXUVDU-AWEZNQCLSA-N 1 0 344.846 2.884 20 70 EFIDRO c1cc(-c2noc(CN3CCN(c4cc[nH+]cc4)CC3)n2)cs1 ZINC000161391076 544813145 /nfs/dbraw/zinc/81/31/45/544813145.db2.gz SLVUTKYSYOCDBO-UHFFFAOYSA-N 1 0 327.413 2.515 20 70 EFIDRO C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161375506 544813910 /nfs/dbraw/zinc/81/39/10/544813910.db2.gz JDGYFHVAGXGJMC-CQSZACIVSA-N 1 0 344.846 2.884 20 70 EFIDRO CCCCc1ccc([C@@H]([NH2+]CCNS(C)(=O)=O)C(C)C)cc1 ZINC000216990917 265428790 /nfs/dbraw/zinc/42/87/90/265428790.db2.gz NRHJXCJCUXXBGJ-KRWDZBQOSA-N 1 0 326.506 2.865 20 70 EFIDRO CC(C)n1cc(Br)cc1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159864457 273574929 /nfs/dbraw/zinc/57/49/29/273574929.db2.gz MBYIXRSGNALIHC-CYBMUJFWSA-N 1 0 328.254 2.641 20 70 EFIDRO C[C@@H](c1ccccc1Cl)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159370506 274278325 /nfs/dbraw/zinc/27/83/25/274278325.db2.gz BYRUMAYWSZSGNE-SUMWQHHRSA-N 1 0 335.879 2.815 20 70 EFIDRO CC(C)c1ccc(CC2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000159956826 276051663 /nfs/dbraw/zinc/05/16/63/276051663.db2.gz HZBMMIRGLVELRC-AWEZNQCLSA-N 1 0 331.460 2.648 20 70 EFIDRO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160364242 276071524 /nfs/dbraw/zinc/07/15/24/276071524.db2.gz LMCUMGCSJJOMEY-LBPRGKRZSA-N 1 0 326.872 2.801 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000161221043 277024512 /nfs/dbraw/zinc/02/45/12/277024512.db2.gz YPVJGPGKKNUCNS-DAWZGUTISA-N 1 0 333.476 2.844 20 70 EFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160340626 279102506 /nfs/dbraw/zinc/10/25/06/279102506.db2.gz LUSKNCZXOLAUQW-MSOLQXFVSA-N 1 0 339.524 2.953 20 70 EFIDRO C[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCCCC1 ZINC000160575562 279339747 /nfs/dbraw/zinc/33/97/47/279339747.db2.gz QVBRZXVVGWJQFL-GFCCVEGCSA-N 1 0 347.385 2.689 20 70 EFIDRO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160303754 289726080 /nfs/dbraw/zinc/72/60/80/289726080.db2.gz QHNNHJIQRMXMHS-SOLBZPMBSA-N 1 0 333.476 2.672 20 70 EFIDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000161370898 298353374 /nfs/dbraw/zinc/35/33/74/298353374.db2.gz TWVHLOLYZHFADV-SKDRFNHKSA-N 1 0 327.222 2.516 20 70 EFIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161138909 303912439 /nfs/dbraw/zinc/91/24/39/303912439.db2.gz RLEBXFXBEVBCHN-FJIDUMEYSA-N 1 0 347.503 2.604 20 70 EFIDRO CCOc1ccccc1N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159390171 310686646 /nfs/dbraw/zinc/68/66/46/310686646.db2.gz SINBAZFKVBRTEU-UHFFFAOYSA-N 1 0 333.476 2.511 20 70 EFIDRO C[NH+](C)CCn1nnnc1SCCCSCc1ccccc1 ZINC000160090432 310694695 /nfs/dbraw/zinc/69/46/95/310694695.db2.gz QJDIBAWQDZCKAB-UHFFFAOYSA-N 1 0 337.518 2.650 20 70 EFIDRO C[NH+]1CCC(Oc2ccc(NCc3cccc4c3OCO4)cn2)CC1 ZINC000160170764 310695502 /nfs/dbraw/zinc/69/55/02/310695502.db2.gz LQQYMXLEPKGAHX-UHFFFAOYSA-N 1 0 341.411 2.895 20 70 EFIDRO C[C@H]1CC(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H](C)O1 ZINC000160341368 310697793 /nfs/dbraw/zinc/69/77/93/310697793.db2.gz WPCMBCVWLVBWSM-STQMWFEESA-N 1 0 337.439 2.643 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cccc(OC)c1OC(F)F ZINC000160433972 310698789 /nfs/dbraw/zinc/69/87/89/310698789.db2.gz OYEDHLAKPGBKSS-MDZDMXLPSA-N 1 0 342.386 2.944 20 70 EFIDRO C[NH+](C)CCN(C(=O)NC[C@H]1Cc2ccccc2O1)C1CCCC1 ZINC000160478996 310699207 /nfs/dbraw/zinc/69/92/07/310699207.db2.gz QYTUDMMLIQDEGF-QGZVFWFLSA-N 1 0 331.460 2.506 20 70 EFIDRO CCCC[NH+]1CCC(NC(=O)c2cnn(C3CCOCC3)c2C)CC1 ZINC000161045493 310705443 /nfs/dbraw/zinc/70/54/43/310705443.db2.gz FIFYXSKESWGXIK-UHFFFAOYSA-N 1 0 348.491 2.537 20 70 EFIDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000161461475 310709679 /nfs/dbraw/zinc/70/96/79/310709679.db2.gz XQUBIDCQJZOHII-KURKYZTESA-N 1 0 343.471 2.505 20 70 EFIDRO Cc1cnn(CCC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000161505180 310709943 /nfs/dbraw/zinc/70/99/43/310709943.db2.gz LSADIENZROLFBY-UHFFFAOYSA-N 1 0 332.492 2.741 20 70 EFIDRO COC(=O)c1csc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000161109008 473207145 /nfs/dbraw/zinc/20/71/45/473207145.db2.gz XYHOYKQQSWRZJG-UHFFFAOYSA-N 1 0 337.445 2.627 20 70 EFIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000161117347 473208069 /nfs/dbraw/zinc/20/80/69/473208069.db2.gz TUBZILBJMKFTNM-XDNAFOTISA-N 1 0 347.503 2.604 20 70 EFIDRO Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000161146814 473212308 /nfs/dbraw/zinc/21/23/08/473212308.db2.gz JKOJKQKSHCWGDP-DOTOQJQBSA-N 1 0 326.444 2.639 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 ZINC000161179051 473215028 /nfs/dbraw/zinc/21/50/28/473215028.db2.gz OIYFUNIEMWCWSM-UHFFFAOYSA-N 1 0 333.432 2.526 20 70 EFIDRO CCc1ncc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000161177387 473215291 /nfs/dbraw/zinc/21/52/91/473215291.db2.gz HCDTUVBFOYVWPZ-KRWDZBQOSA-N 1 0 339.443 2.998 20 70 EFIDRO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CC[NH3+])CCO2 ZINC000161214731 473218190 /nfs/dbraw/zinc/21/81/90/473218190.db2.gz NHASPYDLFLIWLH-GOSISDBHSA-N 1 0 340.423 2.896 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000161222489 473218889 /nfs/dbraw/zinc/21/88/89/473218889.db2.gz AUHDFWJGXHVNEF-UHFFFAOYSA-N 1 0 332.404 2.661 20 70 EFIDRO C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000161229735 473218933 /nfs/dbraw/zinc/21/89/33/473218933.db2.gz JTULNTYCDRNFNH-CVEARBPZSA-N 1 0 345.487 2.786 20 70 EFIDRO Cc1nnc(-c2ccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cc2)o1 ZINC000161287538 473223384 /nfs/dbraw/zinc/22/33/84/473223384.db2.gz IGUIVVVGCAVEPM-LRDDRELGSA-N 1 0 328.416 2.504 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000161336311 473227364 /nfs/dbraw/zinc/22/73/64/473227364.db2.gz PXNXDCGFKGGOGI-CQSZACIVSA-N 1 0 339.439 2.766 20 70 EFIDRO CCOCCC1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000161343249 473227949 /nfs/dbraw/zinc/22/79/49/473227949.db2.gz UNMCGFMPMLCLEJ-SJLPKXTDSA-N 1 0 349.519 2.852 20 70 EFIDRO O=C1[C@@H](N2CCOC3(CCCC3)C2)CCCN1c1ccccc1F ZINC000161390669 473232042 /nfs/dbraw/zinc/23/20/42/473232042.db2.gz QGADCLQWTIWWIF-KRWDZBQOSA-N 1 0 332.419 2.966 20 70 EFIDRO Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)o2)cc1 ZINC000161436306 473235672 /nfs/dbraw/zinc/23/56/72/473235672.db2.gz PIVCKTXOAOKPGM-JKSUJKDBSA-N 1 0 327.428 2.969 20 70 EFIDRO O=C1[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CCCN1c1ccccc1F ZINC000161447791 473235893 /nfs/dbraw/zinc/23/58/93/473235893.db2.gz NPUQHIOSIFLELH-ZTFGCOKTSA-N 1 0 332.419 2.822 20 70 EFIDRO COC(C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)OC ZINC000161461477 473237159 /nfs/dbraw/zinc/23/71/59/473237159.db2.gz KWBSTPNUTSSJAG-UHFFFAOYSA-N 1 0 342.480 2.717 20 70 EFIDRO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161472338 473238209 /nfs/dbraw/zinc/23/82/09/473238209.db2.gz YAFBHQUERMYFSA-ORAYPTAESA-N 1 0 344.459 2.537 20 70 EFIDRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000161469599 473238238 /nfs/dbraw/zinc/23/82/38/473238238.db2.gz BAKSKPLFIFLLHG-KGLIPLIRSA-N 1 0 335.423 2.810 20 70 EFIDRO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161476019 473238347 /nfs/dbraw/zinc/23/83/47/473238347.db2.gz JPFAGUHNAJVJRS-AUUYWEPGSA-N 1 0 334.460 2.905 20 70 EFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2c(C)noc2Cl)o1 ZINC000161503299 473240577 /nfs/dbraw/zinc/24/05/77/473240577.db2.gz HBLBXPIGARBWGG-UHFFFAOYSA-N 1 0 339.823 2.671 20 70 EFIDRO CCc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000161503270 473240957 /nfs/dbraw/zinc/24/09/57/473240957.db2.gz LOWUVBXCJKMGQQ-ZIAGYGMSSA-N 1 0 330.407 2.574 20 70 EFIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000159373647 473023564 /nfs/dbraw/zinc/02/35/64/473023564.db2.gz YXODATNIVSWNIA-ZDUSSCGKSA-N 1 0 346.265 2.594 20 70 EFIDRO NC(=O)[C@H]1CCCN1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000159411455 473025833 /nfs/dbraw/zinc/02/58/33/473025833.db2.gz MPMAOTBLSYCQDI-GOSISDBHSA-N 1 0 349.906 2.687 20 70 EFIDRO CCc1nnc(CN(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[nH]1 ZINC000159462398 473029474 /nfs/dbraw/zinc/02/94/74/473029474.db2.gz QYDJLZSVTXMAKL-PBWFPOADSA-N 1 0 349.479 2.729 20 70 EFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159460288 473030044 /nfs/dbraw/zinc/03/00/44/473030044.db2.gz BLKMLZPOQOKEFF-KRWDZBQOSA-N 1 0 347.507 2.953 20 70 EFIDRO O=C(Cc1csc(-c2ccoc2)n1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000159493242 473032462 /nfs/dbraw/zinc/03/24/62/473032462.db2.gz DTPQBWGLODFPAV-AWEZNQCLSA-N 1 0 331.441 2.546 20 70 EFIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCc2cscn2)CC1 ZINC000159511453 473033976 /nfs/dbraw/zinc/03/39/76/473033976.db2.gz OTWOASHJSIMAKP-UHFFFAOYSA-N 1 0 348.472 2.585 20 70 EFIDRO Cn1c(Sc2nc(C(C)(C)C)ns2)nnc1C1CC[NH2+]CC1 ZINC000159538401 473036907 /nfs/dbraw/zinc/03/69/07/473036907.db2.gz VZBUFQXMRRFHPO-UHFFFAOYSA-N 1 0 338.506 2.582 20 70 EFIDRO COC(=O)c1occc1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159561649 473038118 /nfs/dbraw/zinc/03/81/18/473038118.db2.gz HKWQKQUWVLYHJW-LJQANCHMSA-N 1 0 327.380 2.740 20 70 EFIDRO C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159585874 473041528 /nfs/dbraw/zinc/04/15/28/473041528.db2.gz WBZNEYMUXRZFGC-SJORKVTESA-N 1 0 325.497 2.755 20 70 EFIDRO [NH3+]C1(CNC(=O)Cc2ccc(Br)cc2)CCCCC1 ZINC000159593928 473042524 /nfs/dbraw/zinc/04/25/24/473042524.db2.gz QKGCEZVYRBWUSM-UHFFFAOYSA-N 1 0 325.250 2.769 20 70 EFIDRO CC[C@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159613912 473043793 /nfs/dbraw/zinc/04/37/93/473043793.db2.gz ZITBCWWVOIFBRD-NSHDSACASA-N 1 0 343.265 2.966 20 70 EFIDRO O=C(CN1CCO[C@]2(CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000159614698 473043893 /nfs/dbraw/zinc/04/38/93/473043893.db2.gz VNRPFZLHQDVBGA-JOCHJYFZSA-N 1 0 348.446 2.750 20 70 EFIDRO COC[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1cccc(C(F)(F)F)c1 ZINC000159618158 473044260 /nfs/dbraw/zinc/04/42/60/473044260.db2.gz WZUZXUDDNZUMDC-CYBMUJFWSA-N 1 0 342.317 2.875 20 70 EFIDRO CC(C)[NH+](CCNC(=O)CCc1nnc(C2CCCC2)o1)C(C)C ZINC000159625541 473045268 /nfs/dbraw/zinc/04/52/68/473045268.db2.gz BTAGGDSANHGDHQ-UHFFFAOYSA-N 1 0 336.480 2.895 20 70 EFIDRO Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c[nH]c1=O ZINC000159642057 473047179 /nfs/dbraw/zinc/04/71/79/473047179.db2.gz FAXLQZBRBNMSHC-OAHLLOKOSA-N 1 0 343.402 2.673 20 70 EFIDRO COc1ccc(Br)cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159640142 473047690 /nfs/dbraw/zinc/04/76/90/473047690.db2.gz WJQVAOMQVBKAFZ-UHFFFAOYSA-N 1 0 341.249 2.849 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)C[C@H]1CSCCS1)c1ccc(F)cc1 ZINC000159658666 473048722 /nfs/dbraw/zinc/04/87/22/473048722.db2.gz HVFXAYHQNRYPIF-GJZGRUSLSA-N 1 0 342.505 2.783 20 70 EFIDRO CCOC(=O)CCc1ccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000159655129 473048854 /nfs/dbraw/zinc/04/88/54/473048854.db2.gz VZMDZQDELZTXDG-KRWDZBQOSA-N 1 0 347.459 2.788 20 70 EFIDRO CCOC(=O)CCc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000159655278 473049003 /nfs/dbraw/zinc/04/90/03/473049003.db2.gz VZMDZQDELZTXDG-QGZVFWFLSA-N 1 0 347.459 2.788 20 70 EFIDRO CC[C@H]1CCCCN1C(=O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159671542 473049595 /nfs/dbraw/zinc/04/95/95/473049595.db2.gz SWFRPHYOYODMCE-GHTZIAJQSA-N 1 0 342.483 2.951 20 70 EFIDRO CC[N@H+](Cc1ccc(C(=O)N(CC(N)=O)CC(C)C)cc1)C(C)C ZINC000159660432 473049922 /nfs/dbraw/zinc/04/99/22/473049922.db2.gz DJEPSNRPZOEAJZ-UHFFFAOYSA-N 1 0 333.476 2.500 20 70 EFIDRO CCOc1ccc([C@H](C)NC(=O)N2CCC[N@H+](CC)CC2)cc1OC ZINC000159679651 473051373 /nfs/dbraw/zinc/05/13/73/473051373.db2.gz CNZTUDAJSNNLCK-HNNXBMFYSA-N 1 0 349.475 2.892 20 70 EFIDRO Cc1[nH]c(=O)c(C(=O)NCC2([NH3+])CCCCC2)cc1-c1ccccc1 ZINC000159685149 473051424 /nfs/dbraw/zinc/05/14/24/473051424.db2.gz IMEMYMXUCRPNNH-UHFFFAOYSA-N 1 0 339.439 2.742 20 70 EFIDRO COc1ccc(-c2nc3c(s2)[C@H](NC(=O)[C@H](C)[NH3+])CCC3)cc1 ZINC000159698860 473051845 /nfs/dbraw/zinc/05/18/45/473051845.db2.gz VLGPFQQVUKIWLF-GXFFZTMASA-N 1 0 331.441 2.660 20 70 EFIDRO COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)[C@@H](C)[NH3+])CCC3)cc1 ZINC000159700410 473052137 /nfs/dbraw/zinc/05/21/37/473052137.db2.gz VLGPFQQVUKIWLF-MFKMUULPSA-N 1 0 331.441 2.660 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)CC(C)C ZINC000159713697 473053427 /nfs/dbraw/zinc/05/34/27/473053427.db2.gz ZMYIBLUHCDLVLS-INMHGKMJSA-N 1 0 327.513 2.998 20 70 EFIDRO COC(=O)c1ccc(OCC[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000159744576 473056786 /nfs/dbraw/zinc/05/67/86/473056786.db2.gz FQMQMPYBLOBHKE-ZFWWWQNUSA-N 1 0 341.835 2.598 20 70 EFIDRO CC(=O)Nc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1C ZINC000159775389 473060259 /nfs/dbraw/zinc/06/02/59/473060259.db2.gz UYHNJZXOVCVYGS-UHFFFAOYSA-N 1 0 329.444 2.558 20 70 EFIDRO Cc1cccc2nc(CNC(=O)c3cccc(C[NH+](C)C)c3)n(C)c21 ZINC000159788042 473060728 /nfs/dbraw/zinc/06/07/28/473060728.db2.gz WULHFMPSCUEFQZ-UHFFFAOYSA-N 1 0 336.439 2.873 20 70 EFIDRO CCOC(=O)C1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000159821080 473063448 /nfs/dbraw/zinc/06/34/48/473063448.db2.gz NVSUHPSUWKNCGS-MRXNPFEDSA-N 1 0 346.471 2.747 20 70 EFIDRO CN(C)c1cccc(CN(C)CC(=O)N(C)Cc2ccccc2F)c1 ZINC000159844390 473066661 /nfs/dbraw/zinc/06/66/61/473066661.db2.gz TZYNVSLEARSECA-UHFFFAOYSA-N 1 0 343.446 2.982 20 70 EFIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000159930681 473072659 /nfs/dbraw/zinc/07/26/59/473072659.db2.gz ZVOUTTWBWWCGHF-UKRRQHHQSA-N 1 0 340.489 2.545 20 70 EFIDRO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C3CCCC3)nc2)CC1 ZINC000159921734 473073279 /nfs/dbraw/zinc/07/32/79/473073279.db2.gz SLTVTINIDXDCCC-UHFFFAOYSA-N 1 0 330.476 2.988 20 70 EFIDRO Cc1cncc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000159926075 473073476 /nfs/dbraw/zinc/07/34/76/473073476.db2.gz VKHCYTFSDMJEQM-LXXRFIIISA-N 1 0 325.412 2.950 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000159978104 473076767 /nfs/dbraw/zinc/07/67/67/473076767.db2.gz HQLMYTHEDJGGAU-AEFFLSMTSA-N 1 0 345.487 2.644 20 70 EFIDRO CC(C)c1cc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)on1 ZINC000159997508 473078716 /nfs/dbraw/zinc/07/87/16/473078716.db2.gz NIVHICVEFGERPD-OAHLLOKOSA-N 1 0 334.464 2.958 20 70 EFIDRO CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160005120 473079513 /nfs/dbraw/zinc/07/95/13/473079513.db2.gz MCCGDFJHTYZNFI-JSFADZTLSA-N 1 0 347.503 2.603 20 70 EFIDRO CCSCc1cccc(NC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000160028788 473081301 /nfs/dbraw/zinc/08/13/01/473081301.db2.gz YYZMBGSGOPTFGL-CZUORRHYSA-N 1 0 337.489 2.780 20 70 EFIDRO CCCCCN(CCO)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160052879 473083860 /nfs/dbraw/zinc/08/38/60/473083860.db2.gz QXTJJWWMIDGCCW-MJGOQNOKSA-N 1 0 347.503 2.844 20 70 EFIDRO O=C(/C=C/c1ccc(Br)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160101642 473087507 /nfs/dbraw/zinc/08/75/07/473087507.db2.gz JLZFPXFPVALCFW-AXUMYVEISA-N 1 0 341.274 2.877 20 70 EFIDRO COc1ccc2nc(C3CC3)cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2c1 ZINC000160100174 473087612 /nfs/dbraw/zinc/08/76/12/473087612.db2.gz LNABYTHVUUKVQX-ZDUSSCGKSA-N 1 0 339.439 2.802 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)N(CCCCO)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160119172 473088109 /nfs/dbraw/zinc/08/81/09/473088109.db2.gz VPWVCSQBJNVQJH-WMZOPIPTSA-N 1 0 345.487 2.596 20 70 EFIDRO CN(CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160105899 473088457 /nfs/dbraw/zinc/08/84/57/473088457.db2.gz ZANGVGFOEHHIDJ-ZDUSSCGKSA-N 1 0 330.259 2.991 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(CCCCO)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160119287 473090174 /nfs/dbraw/zinc/09/01/74/473090174.db2.gz VPWVCSQBJNVQJH-SJLPKXTDSA-N 1 0 345.487 2.596 20 70 EFIDRO CC(C)OC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160178955 473093745 /nfs/dbraw/zinc/09/37/45/473093745.db2.gz BYABAWDRFMVFJN-AWEZNQCLSA-N 1 0 326.481 2.543 20 70 EFIDRO CCC[C@@H]([NH2+][C@@H](COC)C1CC1)C(=O)N1CCc2sccc2C1 ZINC000160213629 473096232 /nfs/dbraw/zinc/09/62/32/473096232.db2.gz YHQXMVPZUYWHRQ-CVEARBPZSA-N 1 0 336.501 2.816 20 70 EFIDRO COC[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000160202409 473096495 /nfs/dbraw/zinc/09/64/95/473096495.db2.gz NRKVVVYGMOOWNN-QGZVFWFLSA-N 1 0 333.476 2.621 20 70 EFIDRO CCC[C@@H]([NH2+][C@H](COC)C1CC1)C(=O)N1CCc2sccc2C1 ZINC000160213871 473096863 /nfs/dbraw/zinc/09/68/63/473096863.db2.gz YHQXMVPZUYWHRQ-HZPDHXFCSA-N 1 0 336.501 2.816 20 70 EFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000160226257 473098345 /nfs/dbraw/zinc/09/83/45/473098345.db2.gz XDUPRGFDLWSIRF-GDBMZVCRSA-N 1 0 349.500 2.764 20 70 EFIDRO COc1cccc(C2(NC(=O)NCC[NH+]3CCC(C)CC3)CC2)c1 ZINC000160272542 473103081 /nfs/dbraw/zinc/10/30/81/473103081.db2.gz UJIXRCXVRCZPER-UHFFFAOYSA-N 1 0 331.460 2.715 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000160269756 473103463 /nfs/dbraw/zinc/10/34/63/473103463.db2.gz VYPKYIFCDFVGFB-DLBZAZTESA-N 1 0 325.497 2.709 20 70 EFIDRO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160316344 473106567 /nfs/dbraw/zinc/10/65/67/473106567.db2.gz RBSCZWNQUYQYOP-IRXDYDNUSA-N 1 0 337.508 2.707 20 70 EFIDRO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160316471 473106974 /nfs/dbraw/zinc/10/69/74/473106974.db2.gz RBSCZWNQUYQYOP-IAGOWNOFSA-N 1 0 337.508 2.707 20 70 EFIDRO Cn1cc(CN2CCCN(C(=O)C3CCC(C)(C)CC3)CC2)cn1 ZINC000160328224 473108251 /nfs/dbraw/zinc/10/82/51/473108251.db2.gz BMSZPWUUOJURTH-UHFFFAOYSA-N 1 0 332.492 2.671 20 70 EFIDRO CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)[C@H]1CCOC1 ZINC000160326386 473108746 /nfs/dbraw/zinc/10/87/46/473108746.db2.gz AAQJAYYLYMGCEQ-LEWJYISDSA-N 1 0 345.531 2.729 20 70 EFIDRO CCOc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160395702 473117053 /nfs/dbraw/zinc/11/70/53/473117053.db2.gz BNNMJGNMXWOFGI-MRXNPFEDSA-N 1 0 334.460 2.701 20 70 EFIDRO O=C(c1cnc(Cc2ccc(F)cc2)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160405326 473117986 /nfs/dbraw/zinc/11/79/86/473117986.db2.gz HMNYKYCUDRAUTO-GASCZTMLSA-N 1 0 345.443 2.840 20 70 EFIDRO COCC1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160399777 473118632 /nfs/dbraw/zinc/11/86/32/473118632.db2.gz FDAUEAKGFSBEJI-APWZRJJASA-N 1 0 345.487 2.717 20 70 EFIDRO CC[NH+](CC)CCN(CCOC)c1cnc2cc(F)c(F)cc2n1 ZINC000160432176 473123594 /nfs/dbraw/zinc/12/35/94/473123594.db2.gz OFGBSIXSSUIEIL-UHFFFAOYSA-N 1 0 338.402 2.703 20 70 EFIDRO Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1c1cccc(C)n1 ZINC000160456348 473127557 /nfs/dbraw/zinc/12/75/57/473127557.db2.gz AJSLIGBZLDZYNM-INIZCTEOSA-N 1 0 327.432 2.516 20 70 EFIDRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2cccs2)n1 ZINC000160486706 473131065 /nfs/dbraw/zinc/13/10/65/473131065.db2.gz HUCVWFWDVCRMFA-DZGCQCFKSA-N 1 0 344.484 2.705 20 70 EFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ccnc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000160479774 473131393 /nfs/dbraw/zinc/13/13/93/473131393.db2.gz ZGJFZIAYCLQWQS-XHSDSOJGSA-N 1 0 332.492 2.852 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 ZINC000160508713 473134853 /nfs/dbraw/zinc/13/48/53/473134853.db2.gz FCDYYISTGRFGOC-VQHVLOKHSA-N 1 0 342.386 2.944 20 70 EFIDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000160519563 473136873 /nfs/dbraw/zinc/13/68/73/473136873.db2.gz QMGLNIOASDHKHE-XKQJLSEDSA-N 1 0 336.501 2.736 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000160546951 473140354 /nfs/dbraw/zinc/14/03/54/473140354.db2.gz UBWCLNWCOOVGHJ-UHFFFAOYSA-N 1 0 329.400 2.779 20 70 EFIDRO CCC(CC)CNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160563737 473143216 /nfs/dbraw/zinc/14/32/16/473143216.db2.gz YVVCPOXHWKAMFB-CALCHBBNSA-N 1 0 338.540 2.623 20 70 EFIDRO Cc1ccc(OC2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)cc1 ZINC000160576823 473144680 /nfs/dbraw/zinc/14/46/80/473144680.db2.gz KCLAXFSKXMMJOE-INIZCTEOSA-N 1 0 348.512 2.802 20 70 EFIDRO CCN(C(=O)NCc1ccn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160575489 473144698 /nfs/dbraw/zinc/14/46/98/473144698.db2.gz LCEHSRFPNCYZKY-IBGZPJMESA-N 1 0 340.471 2.831 20 70 EFIDRO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000160574756 473145571 /nfs/dbraw/zinc/14/55/71/473145571.db2.gz SKODHJSQBFDBPA-RTBURBONSA-N 1 0 349.519 2.852 20 70 EFIDRO O=C(C[C@@H]1CCC[NH2+]1)NCC1(c2ccccc2Br)CC1 ZINC000160595811 473148435 /nfs/dbraw/zinc/14/84/35/473148435.db2.gz MIBUEDREPWVZMT-LBPRGKRZSA-N 1 0 337.261 2.739 20 70 EFIDRO Cc1c(C(=O)NCC2CC[NH+](CCO)CC2)oc2c1c(C)ccc2C ZINC000160614169 473151670 /nfs/dbraw/zinc/15/16/70/473151670.db2.gz RYTCROORKRENND-UHFFFAOYSA-N 1 0 344.455 2.792 20 70 EFIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000160670851 473158900 /nfs/dbraw/zinc/15/89/00/473158900.db2.gz IELMBNZSZALUJI-GJZGRUSLSA-N 1 0 341.459 2.570 20 70 EFIDRO Cn1cnnc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000160670993 473158934 /nfs/dbraw/zinc/15/89/34/473158934.db2.gz OUNNYGTYEXWLAH-UHFFFAOYSA-N 1 0 347.466 2.722 20 70 EFIDRO CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000160684964 473160833 /nfs/dbraw/zinc/16/08/33/473160833.db2.gz DESNVIAAINNXTL-RBUKOAKNSA-N 1 0 345.487 2.890 20 70 EFIDRO CCc1nnc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)[nH]1 ZINC000160704119 473163322 /nfs/dbraw/zinc/16/33/22/473163322.db2.gz DVLRGOLBLVUIGR-UHFFFAOYSA-N 1 0 343.353 2.728 20 70 EFIDRO O=C(NCC[NH2+]C1CC(c2ccc(Br)cc2)C1)C1CC1 ZINC000160712078 473164371 /nfs/dbraw/zinc/16/43/71/473164371.db2.gz RVJRBWSHYHGXGM-UHFFFAOYSA-N 1 0 337.261 2.811 20 70 EFIDRO CCOCCC1(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000160713228 473165978 /nfs/dbraw/zinc/16/59/78/473165978.db2.gz FMSCLFAYTAOAOP-SFHVURJKSA-N 1 0 332.488 2.872 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000160731925 473167200 /nfs/dbraw/zinc/16/72/00/473167200.db2.gz LPPFDBWPRQBNSK-LLVKDONJSA-N 1 0 341.249 2.659 20 70 EFIDRO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000160742141 473169839 /nfs/dbraw/zinc/16/98/39/473169839.db2.gz KJKRWQPDFSZMMW-ZWNOBZJWSA-N 1 0 341.249 2.657 20 70 EFIDRO CCC1(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCCC1 ZINC000160747817 473170980 /nfs/dbraw/zinc/17/09/80/473170980.db2.gz RJKXKHGIVVFSHI-QZTJIDSGSA-N 1 0 330.472 2.708 20 70 EFIDRO CN1CCOc2ccc(NC(=O)NC3CCC(C[NH+](C)C)CC3)cc21 ZINC000160761477 473172623 /nfs/dbraw/zinc/17/26/23/473172623.db2.gz UQSQXZZLLHVGCR-UHFFFAOYSA-N 1 0 346.475 2.757 20 70 EFIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160764028 473172814 /nfs/dbraw/zinc/17/28/14/473172814.db2.gz YCZXDTKTIJIONN-ZWKOTPCHSA-N 1 0 331.460 2.644 20 70 EFIDRO COC(=O)c1csc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000160769710 473173608 /nfs/dbraw/zinc/17/36/08/473173608.db2.gz IJDFNTUXRJRGJP-UHFFFAOYSA-N 1 0 339.461 2.921 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000160782555 473175157 /nfs/dbraw/zinc/17/51/57/473175157.db2.gz LXVIMFGXJPEWDV-HUUCEWRRSA-N 1 0 329.469 2.663 20 70 EFIDRO CC(C)N(C[C@H](C)O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000160808231 473177554 /nfs/dbraw/zinc/17/75/54/473177554.db2.gz HPMOJOYRQUBCRY-INIZCTEOSA-N 1 0 347.503 2.624 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000160814507 473178742 /nfs/dbraw/zinc/17/87/42/473178742.db2.gz RPKZYMLWKYVDTO-OLZOCXBDSA-N 1 0 330.350 2.904 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000160836051 473181096 /nfs/dbraw/zinc/18/10/96/473181096.db2.gz SSRNRSSNLYSTMW-UHFFFAOYSA-N 1 0 339.461 2.919 20 70 EFIDRO CC(C)n1ccnc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000160844939 473182154 /nfs/dbraw/zinc/18/21/54/473182154.db2.gz HAMJUUOKDBXJDL-UHFFFAOYSA-N 1 0 348.413 2.551 20 70 EFIDRO Cc1cc(C)n(Cc2cccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000160840634 473182343 /nfs/dbraw/zinc/18/23/43/473182343.db2.gz QCCKBQGRKYIMSX-MSOLQXFVSA-N 1 0 326.444 2.548 20 70 EFIDRO Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)n1 ZINC000160840265 473182650 /nfs/dbraw/zinc/18/26/50/473182650.db2.gz QCCKBQGRKYIMSX-ZWKOTPCHSA-N 1 0 326.444 2.548 20 70 EFIDRO Cc1c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1CC(C)C ZINC000160858058 473183061 /nfs/dbraw/zinc/18/30/61/473183061.db2.gz WDJSEWLKPGATQN-OWCLPIDISA-N 1 0 334.508 2.944 20 70 EFIDRO CCC[NH+]1CCC(N(C)C(=O)c2cn(-c3cccc(C)c3)nn2)CC1 ZINC000160850512 473183260 /nfs/dbraw/zinc/18/32/60/473183260.db2.gz QBORVCLHAWAOLO-UHFFFAOYSA-N 1 0 341.459 2.522 20 70 EFIDRO CCO[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000160869031 473185610 /nfs/dbraw/zinc/18/56/10/473185610.db2.gz AMJLSPLNPCPLFG-SJORKVTESA-N 1 0 335.492 2.602 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000160882761 473186459 /nfs/dbraw/zinc/18/64/59/473186459.db2.gz UDXGWUDJVGLMNA-SJLPKXTDSA-N 1 0 337.423 2.939 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)C1 ZINC000160908054 473189352 /nfs/dbraw/zinc/18/93/52/473189352.db2.gz XTDYVPRBFQRKQZ-HUUCEWRRSA-N 1 0 332.835 2.585 20 70 EFIDRO COC(=O)c1csc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000160918086 473190645 /nfs/dbraw/zinc/19/06/45/473190645.db2.gz SGWRVULRMJBEID-NWDGAFQWSA-N 1 0 339.461 2.777 20 70 EFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000160911933 473190848 /nfs/dbraw/zinc/19/08/48/473190848.db2.gz YCDBRLGTYRYUAY-QZTJIDSGSA-N 1 0 342.487 2.899 20 70 EFIDRO CCOCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000160927742 473191787 /nfs/dbraw/zinc/19/17/87/473191787.db2.gz KTEUXVCAOCXYFV-INIZCTEOSA-N 1 0 325.497 2.709 20 70 EFIDRO CC(C)C1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000160943088 473193647 /nfs/dbraw/zinc/19/36/47/473193647.db2.gz MKDZNPMUFGOCNZ-UHFFFAOYSA-N 1 0 338.540 2.526 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)C1 ZINC000160989458 473197608 /nfs/dbraw/zinc/19/76/08/473197608.db2.gz JYLZXOIXSMQVSZ-HUUCEWRRSA-N 1 0 341.411 2.639 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C1 ZINC000161057010 473202659 /nfs/dbraw/zinc/20/26/59/473202659.db2.gz FPFGYPVOVBSVFN-RYUDHWBXSA-N 1 0 345.424 2.539 20 70 EFIDRO Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)n2)cc1F ZINC000161061445 473203723 /nfs/dbraw/zinc/20/37/23/473203723.db2.gz SNZPSPXAHMTBPC-KGLIPLIRSA-N 1 0 346.406 2.503 20 70 EFIDRO O[C@H](C[NH2+]Cc1ccccc1)COc1ccccc1Br ZINC000217760072 474144010 /nfs/dbraw/zinc/14/40/10/474144010.db2.gz QOQWDJXQAGCEFY-CQSZACIVSA-N 1 0 336.229 2.979 20 70 EFIDRO CS[C@@H](C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000160902994 533911518 /nfs/dbraw/zinc/91/15/18/533911518.db2.gz IVJHTZWEWCXYSG-UONOGXRCSA-N 1 0 336.505 2.658 20 70 EFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1cccc(O)c1 ZINC000217037202 520581719 /nfs/dbraw/zinc/58/17/19/520581719.db2.gz HKZPAPNKRIDDGW-QGZVFWFLSA-N 1 0 333.476 2.889 20 70 EFIDRO O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160611132 534731833 /nfs/dbraw/zinc/73/18/33/534731833.db2.gz QJYOSESBHZCKHP-IYBDPMFKSA-N 1 0 338.411 2.581 20 70 EFIDRO COc1ccc(O)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000218296364 524728239 /nfs/dbraw/zinc/72/82/39/524728239.db2.gz JJVKADZASZAPJN-UHFFFAOYSA-N 1 0 328.412 2.653 20 70 EFIDRO O=C(CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)NC1CCCC1 ZINC000159610355 526492968 /nfs/dbraw/zinc/49/29/68/526492968.db2.gz ZRGFXPAVRJXSQI-HXUWFJFHSA-N 1 0 328.456 2.609 20 70 EFIDRO CC(C)(C)c1nsc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000160151676 526906975 /nfs/dbraw/zinc/90/69/75/526906975.db2.gz JKQNXKLXPBOQCC-GJZGRUSLSA-N 1 0 346.500 2.883 20 70 EFIDRO CC(C)c1c(C(=O)N2CC[C@@H]([NH3+])C2)cnn1-c1cccc(Cl)c1 ZINC000160228733 528003631 /nfs/dbraw/zinc/00/36/31/528003631.db2.gz IKERHTAIEVIYFQ-CYBMUJFWSA-N 1 0 332.835 2.822 20 70 EFIDRO CCC[C@H](CCO)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160911193 528118565 /nfs/dbraw/zinc/11/85/65/528118565.db2.gz FWTGXTYIJDBDQN-IAGOWNOFSA-N 1 0 327.513 2.595 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CC3CCC3)nc(N)c21 ZINC000161062855 528128908 /nfs/dbraw/zinc/12/89/08/528128908.db2.gz ZSCRJDXSRVJCBQ-UHFFFAOYSA-N 1 0 332.404 2.522 20 70 EFIDRO CC(C)c1cccc(O[C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000159964547 528184845 /nfs/dbraw/zinc/18/48/45/528184845.db2.gz NAFZHCMBXYWJFA-SJLPKXTDSA-N 1 0 348.487 2.540 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)CCCOc2cccc(C(C)=O)c2)CC1 ZINC000161113146 528280407 /nfs/dbraw/zinc/28/04/07/528280407.db2.gz OBKADIKAVCJHRC-UHFFFAOYSA-N 1 0 346.471 2.896 20 70 EFIDRO CCC(CC)(CCO)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160934898 528641359 /nfs/dbraw/zinc/64/13/59/528641359.db2.gz QUISDPFJWWYAJH-QGZVFWFLSA-N 1 0 341.540 2.985 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000161300650 528649836 /nfs/dbraw/zinc/64/98/36/528649836.db2.gz CSBCTZWVQQQZKS-UHFFFAOYSA-N 1 0 328.460 2.682 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000161255621 528650039 /nfs/dbraw/zinc/65/00/39/528650039.db2.gz ANZMZJHDRVUERI-NSHDSACASA-N 1 0 334.395 2.818 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCSCc2ccc(C)cc2)CC1 ZINC000159548863 529024323 /nfs/dbraw/zinc/02/43/23/529024323.db2.gz NIHFQCMSRYOKIZ-UHFFFAOYSA-N 1 0 335.517 2.965 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000159926766 529024540 /nfs/dbraw/zinc/02/45/40/529024540.db2.gz HFECCJVTAOREBP-CQSZACIVSA-N 1 0 339.867 2.845 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000159918459 529027456 /nfs/dbraw/zinc/02/74/56/529027456.db2.gz UCTQNODZYPZQRR-AWEZNQCLSA-N 1 0 339.867 2.845 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000159871507 529031352 /nfs/dbraw/zinc/03/13/52/529031352.db2.gz ADHWKWJYCMLGCQ-KRWDZBQOSA-N 1 0 348.466 2.532 20 70 EFIDRO CC[C@@H](CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000160153978 529450991 /nfs/dbraw/zinc/45/09/91/529450991.db2.gz GKZZIGLXJYQXFM-MSOLQXFVSA-N 1 0 331.504 2.631 20 70 EFIDRO CCc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3C[NH3+])cs2)cc1 ZINC000160129851 529576521 /nfs/dbraw/zinc/57/65/21/529576521.db2.gz RYDOQLJNAXAIPK-MRXNPFEDSA-N 1 0 329.469 2.865 20 70 EFIDRO CCCC[C@H](COC)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160406511 282957267 /nfs/dbraw/zinc/95/72/67/282957267.db2.gz HNGKVWVWRXNMDM-IAGOWNOFSA-N 1 0 325.497 2.852 20 70 EFIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000160109360 529704189 /nfs/dbraw/zinc/70/41/89/529704189.db2.gz PVUZYEPAUROKCP-ROUUACIJSA-N 1 0 345.531 2.742 20 70 EFIDRO CN(CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160067650 529871030 /nfs/dbraw/zinc/87/10/30/529871030.db2.gz GMEAYMKXMFOBLZ-AWEZNQCLSA-N 1 0 330.259 2.991 20 70 EFIDRO Cc1ccc(C(C)(C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160340199 239047872 /nfs/dbraw/zinc/04/78/72/239047872.db2.gz NUOMNRXPYIBVOJ-SFHVURJKSA-N 1 0 332.488 2.626 20 70 EFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000160814406 284195034 /nfs/dbraw/zinc/19/50/34/284195034.db2.gz KSGXSHUYDDNAKK-GOEBONIOSA-N 1 0 331.464 2.663 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1 ZINC000159870539 284768109 /nfs/dbraw/zinc/76/81/09/284768109.db2.gz RFOPWXBGESYCAT-PKOBYXMFSA-N 1 0 333.476 2.626 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161497114 533055948 /nfs/dbraw/zinc/05/59/48/533055948.db2.gz DRSGNTXFLFGYRD-YHWZYXNKSA-N 1 0 334.416 2.572 20 70 EFIDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCSC2)ccc1S(C)(=O)=O ZINC000159576941 533122894 /nfs/dbraw/zinc/12/28/94/533122894.db2.gz VQNVRANHONZKIQ-YPMHNXCESA-N 1 0 329.487 2.645 20 70 EFIDRO COCCOc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000159754880 533255867 /nfs/dbraw/zinc/25/58/67/533255867.db2.gz RYGJYOBYTXHLRA-YJBOKZPZSA-N 1 0 347.459 2.660 20 70 EFIDRO C[C@@H](C(=O)Nc1cnn(CC(F)(F)F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000159695793 533342285 /nfs/dbraw/zinc/34/22/85/533342285.db2.gz WRHVCKUGOFVONM-ZWNOBZJWSA-N 1 0 326.322 2.720 20 70 EFIDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000160166324 292086201 /nfs/dbraw/zinc/08/62/01/292086201.db2.gz MGRCCKJWZURMQW-KRWDZBQOSA-N 1 0 336.501 2.942 20 70 EFIDRO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+]2CCCC2)cc1 ZINC000161314498 292199607 /nfs/dbraw/zinc/19/96/07/292199607.db2.gz LWWJKEJOLSMXJL-UYAOXDASSA-N 1 0 345.487 2.688 20 70 EFIDRO C[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCCCC1 ZINC000160575444 286871127 /nfs/dbraw/zinc/87/11/27/286871127.db2.gz QVBRZXVVGWJQFL-LBPRGKRZSA-N 1 0 347.385 2.689 20 70 EFIDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)cnn1-c1ccccc1C ZINC000159492806 225227970 /nfs/dbraw/zinc/22/79/70/225227970.db2.gz IGHUNUZUTJMDSL-UHFFFAOYSA-N 1 0 326.444 2.881 20 70 EFIDRO C[C@H](CCn1cccn1)Nc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000159382129 225206866 /nfs/dbraw/zinc/20/68/66/225206866.db2.gz HEQOCKLKUXRARL-QGZVFWFLSA-N 1 0 342.487 2.978 20 70 EFIDRO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CC[NH2+]CC1 ZINC000159432104 225217147 /nfs/dbraw/zinc/21/71/47/225217147.db2.gz KEYVMYRXLDDAMI-UHFFFAOYSA-N 1 0 347.802 2.539 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCOc2ccccc2)CC1 ZINC000159810038 225281320 /nfs/dbraw/zinc/28/13/20/225281320.db2.gz CYHJKWRZRSUBKE-UHFFFAOYSA-N 1 0 333.476 2.829 20 70 EFIDRO COc1ccc(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000159868401 225293790 /nfs/dbraw/zinc/29/37/90/225293790.db2.gz IWSHNWLBQLEFEW-UHFFFAOYSA-N 1 0 346.471 2.627 20 70 EFIDRO CSc1cccc(NC(=O)[C@H](C)SCCN2CCOCC2)c1 ZINC000159870427 225294048 /nfs/dbraw/zinc/29/40/48/225294048.db2.gz VDPABIITUOGXRX-ZDUSSCGKSA-N 1 0 340.514 2.801 20 70 EFIDRO CN(C(=O)CSc1nccc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000159912700 225302284 /nfs/dbraw/zinc/30/22/84/225302284.db2.gz HITORAJHXSFDHF-OAHLLOKOSA-N 1 0 329.469 2.880 20 70 EFIDRO C[C@H](Sc1ccncc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159939049 225307285 /nfs/dbraw/zinc/30/72/85/225307285.db2.gz SMIXZKQDIIGHPE-DOTOQJQBSA-N 1 0 341.480 2.953 20 70 EFIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159601424 225246673 /nfs/dbraw/zinc/24/66/73/225246673.db2.gz HQPDOKVBANWLOH-WFASDCNBSA-N 1 0 328.503 2.994 20 70 EFIDRO C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000159654031 225255252 /nfs/dbraw/zinc/25/52/52/225255252.db2.gz BTWJIJQXZAMIAG-ZWNOBZJWSA-N 1 0 343.290 2.798 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(C2CC2)n1 ZINC000160295446 225383928 /nfs/dbraw/zinc/38/39/28/225383928.db2.gz RLFVGXDNSMZBTR-HZPDHXFCSA-N 1 0 349.500 2.518 20 70 EFIDRO COCC[NH+]1CCC(NC(=O)/C(C)=C/c2cccc(Cl)c2)CC1 ZINC000160298569 225383960 /nfs/dbraw/zinc/38/39/60/225383960.db2.gz WWILMNXELPMTBK-WYMLVPIESA-N 1 0 336.863 2.970 20 70 EFIDRO COc1ccc([C@@H](C[NH2+][C@H](C)CC2CC2)N2CCOCC2)cc1OC ZINC000160351954 225394259 /nfs/dbraw/zinc/39/42/59/225394259.db2.gz SRJWUZKBJQZVBV-CRAIPNDOSA-N 1 0 348.487 2.855 20 70 EFIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NCC1CC[NH+](C)CC1 ZINC000160365400 225396397 /nfs/dbraw/zinc/39/63/97/225396397.db2.gz KBZNUAMYVIVUOM-UHFFFAOYSA-N 1 0 346.862 2.906 20 70 EFIDRO Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NCCC[NH3+] ZINC000160114149 225340651 /nfs/dbraw/zinc/34/06/51/225340651.db2.gz GAPMSMDKYZFCDZ-CMDGGOBGSA-N 1 0 346.862 2.680 20 70 EFIDRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000160159164 225349963 /nfs/dbraw/zinc/34/99/63/225349963.db2.gz WNDAZNYPRCYXHZ-CQSZACIVSA-N 1 0 346.880 2.535 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2cc[nH]c2c1 ZINC000160168298 225353981 /nfs/dbraw/zinc/35/39/81/225353981.db2.gz YOZADQVRXPMNDE-MOPGFXCFSA-N 1 0 341.455 2.666 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000160184095 225356744 /nfs/dbraw/zinc/35/67/44/225356744.db2.gz PNEKUFZXBZYDDM-OLZOCXBDSA-N 1 0 342.892 2.899 20 70 EFIDRO [NH3+][C@@H]1CCN(C(=O)CCCSc2ccc(Br)cc2)C1 ZINC000160234270 225366950 /nfs/dbraw/zinc/36/69/50/225366950.db2.gz ZRWHLFWJCGCGRM-GFCCVEGCSA-N 1 0 343.290 2.881 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2nnc(C3CC3)n2n1 ZINC000160237953 225367340 /nfs/dbraw/zinc/36/73/40/225367340.db2.gz PRSAWDUSAQUAME-PBHICJAKSA-N 1 0 348.454 2.934 20 70 EFIDRO C[C@]1(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCC[NH2+]C1 ZINC000161350478 225610064 /nfs/dbraw/zinc/61/00/64/225610064.db2.gz UWYNJSKFNDWLQS-IBGZPJMESA-N 1 0 329.444 2.687 20 70 EFIDRO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1OCC1CCOCC1 ZINC000161375935 225615596 /nfs/dbraw/zinc/61/55/96/225615596.db2.gz JBRKFJLGQUNTRM-INIZCTEOSA-N 1 0 332.444 2.739 20 70 EFIDRO CSc1ccc(NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1Cl ZINC000160347842 544805356 /nfs/dbraw/zinc/80/53/56/544805356.db2.gz QTGRVQUEKKEQTN-MFKMUULPSA-N 1 0 343.880 2.903 20 70 EFIDRO CCC(CC)n1nccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160695918 544807271 /nfs/dbraw/zinc/80/72/71/544807271.db2.gz IBLWASQOBLUYAX-UHFFFAOYSA-N 1 0 327.432 2.602 20 70 EFIDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000160667504 544807379 /nfs/dbraw/zinc/80/73/79/544807379.db2.gz IHPYVRSWKNLUDN-DNVCBOLYSA-N 1 0 337.427 2.827 20 70 EFIDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000160667111 544807915 /nfs/dbraw/zinc/80/79/15/544807915.db2.gz IHPYVRSWKNLUDN-KXBFYZLASA-N 1 0 337.427 2.827 20 70 EFIDRO CC(C)c1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161297875 544811162 /nfs/dbraw/zinc/81/11/62/544811162.db2.gz KZSCGEYSMXCLJT-UHFFFAOYSA-N 1 0 338.455 2.966 20 70 EFIDRO C[C@H]1OCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1C ZINC000161306475 544812053 /nfs/dbraw/zinc/81/20/53/544812053.db2.gz VFWPPWDKZWMLBU-HUUCEWRRSA-N 1 0 349.450 2.609 20 70 EFIDRO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161385358 544812998 /nfs/dbraw/zinc/81/29/98/544812998.db2.gz HOKJBWOQQPSJJK-KRWDZBQOSA-N 1 0 338.455 2.848 20 70 EFIDRO CCN(C(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000161398803 544813203 /nfs/dbraw/zinc/81/32/03/544813203.db2.gz VSXMLPAWTXUVPI-QGZVFWFLSA-N 1 0 344.503 2.773 20 70 EFIDRO Fc1ccc(-c2noc(CN3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000161348504 544813395 /nfs/dbraw/zinc/81/33/95/544813395.db2.gz ZDPBBEFXTUAMOB-UHFFFAOYSA-N 1 0 339.374 2.593 20 70 EFIDRO CCN(C(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000161334643 544813526 /nfs/dbraw/zinc/81/35/26/544813526.db2.gz QIBUFRZABDUFOE-KRWDZBQOSA-N 1 0 338.455 2.645 20 70 EFIDRO C[C@@H](OC1CCCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159499255 544796109 /nfs/dbraw/zinc/79/61/09/544796109.db2.gz TYSZKOYNCAGJOS-MRXNPFEDSA-N 1 0 331.460 2.858 20 70 EFIDRO CC[NH+]1CCC(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000160752477 264740898 /nfs/dbraw/zinc/74/08/98/264740898.db2.gz GKPVPWVXGFODNY-GOSISDBHSA-N 1 0 330.476 2.757 20 70 EFIDRO CCCCc1ccc([C@H]([NH2+]CCNS(C)(=O)=O)C(C)C)cc1 ZINC000216990927 265428433 /nfs/dbraw/zinc/42/84/33/265428433.db2.gz NRHJXCJCUXXBGJ-QGZVFWFLSA-N 1 0 326.506 2.865 20 70 EFIDRO COc1ccccc1[C@H](N)C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000160377840 273022063 /nfs/dbraw/zinc/02/20/63/273022063.db2.gz YYSSKORNOVOJFN-KUHUBIRLSA-N 1 0 340.423 2.720 20 70 EFIDRO COc1ccccc1[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000160377658 273022103 /nfs/dbraw/zinc/02/21/03/273022103.db2.gz YYSSKORNOVOJFN-AUUYWEPGSA-N 1 0 340.423 2.720 20 70 EFIDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000160840361 273558453 /nfs/dbraw/zinc/55/84/53/273558453.db2.gz NEELTOKECWPWKX-OUCADQQQSA-N 1 0 330.270 2.685 20 70 EFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(C)C(C)C ZINC000160034792 276341910 /nfs/dbraw/zinc/34/19/10/276341910.db2.gz DFHAAUONQAVMGJ-QGZVFWFLSA-N 1 0 346.519 2.875 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000161351202 277277422 /nfs/dbraw/zinc/27/74/22/277277422.db2.gz HFINWHZLARTRTR-MFKMUULPSA-N 1 0 331.243 2.971 20 70 EFIDRO CC(C)[C@@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000160108239 277740233 /nfs/dbraw/zinc/74/02/33/277740233.db2.gz QKDZGMHCNFIODS-GVDBMIGSSA-N 1 0 325.497 2.562 20 70 EFIDRO [NH3+]C1(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CCCCC1 ZINC000159490166 303359411 /nfs/dbraw/zinc/35/94/11/303359411.db2.gz YABRWGGBDCFDSN-CQSZACIVSA-N 1 0 349.500 2.521 20 70 EFIDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(OC)c1OC ZINC000159490091 533695769 /nfs/dbraw/zinc/69/57/69/533695769.db2.gz AWZFJHNYMCDFPY-XWIAVFTESA-N 1 0 333.428 2.760 20 70 EFIDRO C[C@@H](CCn1cccn1)Nc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000159381990 533698432 /nfs/dbraw/zinc/69/84/32/533698432.db2.gz HEQOCKLKUXRARL-KRWDZBQOSA-N 1 0 342.487 2.978 20 70 EFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]1OC ZINC000159441305 310687133 /nfs/dbraw/zinc/68/71/33/310687133.db2.gz LAMJICMNRIZFRQ-QZTJIDSGSA-N 1 0 333.476 2.895 20 70 EFIDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1 ZINC000159448071 310687228 /nfs/dbraw/zinc/68/72/28/310687228.db2.gz MRRPHYIHRHMGAS-UHFFFAOYSA-N 1 0 343.427 2.656 20 70 EFIDRO CCN(CC[NH2+]C1CCN(CC(F)F)CC1)C(=O)OC(C)(C)C ZINC000159462305 310687441 /nfs/dbraw/zinc/68/74/41/310687441.db2.gz CWUHWKSZYXFCKE-UHFFFAOYSA-N 1 0 335.439 2.563 20 70 EFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCc1cscn1 ZINC000159485673 310687682 /nfs/dbraw/zinc/68/76/82/310687682.db2.gz NKYOFTIBQFIBCV-UHFFFAOYSA-N 1 0 338.502 2.521 20 70 EFIDRO COCCC1(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCCC1 ZINC000159630563 310689365 /nfs/dbraw/zinc/68/93/65/310689365.db2.gz VGXJVBYGLWETLE-GOSISDBHSA-N 1 0 332.488 2.872 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)c1cnc(C(F)(F)F)nc1)c1cccs1 ZINC000159650111 310689513 /nfs/dbraw/zinc/68/95/13/310689513.db2.gz JHIHWNSENGSUFK-SNVBAGLBSA-N 1 0 344.362 2.590 20 70 EFIDRO COC(=O)Nc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159715241 310690568 /nfs/dbraw/zinc/69/05/68/310690568.db2.gz RYGHSSYBPREFRW-UHFFFAOYSA-N 1 0 333.432 2.907 20 70 EFIDRO COc1cccc(CCNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000160025186 310693970 /nfs/dbraw/zinc/69/39/70/310693970.db2.gz SGQJFJOGUWLQLR-UHFFFAOYSA-N 1 0 333.476 2.754 20 70 EFIDRO Cc1cccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160191305 310695883 /nfs/dbraw/zinc/69/58/83/310695883.db2.gz ATXNSTOPCSKHCM-RMQQFATJSA-N 1 0 342.483 2.892 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000160450837 310698915 /nfs/dbraw/zinc/69/89/15/310698915.db2.gz IROURLBOAFDXAM-UHFFFAOYSA-N 1 0 326.444 2.608 20 70 EFIDRO CCC[C@H]1CN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCO1 ZINC000160885072 310703407 /nfs/dbraw/zinc/70/34/07/310703407.db2.gz QSIXAZGAOCLRRM-IRXDYDNUSA-N 1 0 349.475 2.935 20 70 EFIDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1c(F)cccc1Br ZINC000161087369 473205350 /nfs/dbraw/zinc/20/53/50/473205350.db2.gz VOPXDVFTNWVSEG-SNVBAGLBSA-N 1 0 341.224 2.993 20 70 EFIDRO COc1c(Br)c(C)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161024114 473199820 /nfs/dbraw/zinc/19/98/20/473199820.db2.gz DPMITJVBIPRXSK-IUCAKERBSA-N 1 0 347.278 2.827 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)CC1 ZINC000161101394 473207534 /nfs/dbraw/zinc/20/75/34/473207534.db2.gz INWUKNORPXOUGL-KDOFPFPSSA-N 1 0 343.471 2.743 20 70 EFIDRO C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)Oc1ccccc1Br ZINC000161141898 473211177 /nfs/dbraw/zinc/21/11/77/473211177.db2.gz FCQYKEXCFUFFBZ-ZWNOBZJWSA-N 1 0 343.265 2.706 20 70 EFIDRO C[C@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161121648 473209397 /nfs/dbraw/zinc/20/93/97/473209397.db2.gz DCXJTQPGNVODNN-KHYOSLBOSA-N 1 0 337.458 2.859 20 70 EFIDRO COCCC1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000161121156 473209638 /nfs/dbraw/zinc/20/96/38/473209638.db2.gz OCVWZDVYYDWDGF-OAHLLOKOSA-N 1 0 336.501 2.893 20 70 EFIDRO COc1cccc(O[C@H](C)CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000161130211 473210073 /nfs/dbraw/zinc/21/00/73/473210073.db2.gz CYGIGDLGXVXDJV-BZUAXINKSA-N 1 0 334.460 2.605 20 70 EFIDRO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161132318 473210182 /nfs/dbraw/zinc/21/01/82/473210182.db2.gz WYJIPPNXNDZOKV-FBBABVLZSA-N 1 0 344.499 2.669 20 70 EFIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000161129491 473210550 /nfs/dbraw/zinc/21/05/50/473210550.db2.gz AMKQDJYPGCQAJU-IKGGRYGDSA-N 1 0 339.524 2.689 20 70 EFIDRO CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(CC)(CC)C[NH3+] ZINC000161166445 473212797 /nfs/dbraw/zinc/21/27/97/473212797.db2.gz XELCINJDGYRDJL-UHFFFAOYSA-N 1 0 341.402 2.517 20 70 EFIDRO CCN(C(=O)NCC1(OC)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161167297 473213744 /nfs/dbraw/zinc/21/37/44/473213744.db2.gz SWYMUZVTKMVGBC-SFHVURJKSA-N 1 0 345.487 2.862 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000161170229 473214421 /nfs/dbraw/zinc/21/44/21/473214421.db2.gz UPBRCVOJOLFOMR-ZIAGYGMSSA-N 1 0 332.375 2.997 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000161180893 473215383 /nfs/dbraw/zinc/21/53/83/473215383.db2.gz ZGNXBXTVSPGTDW-UHFFFAOYSA-N 1 0 333.476 2.774 20 70 EFIDRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000161195606 473216435 /nfs/dbraw/zinc/21/64/35/473216435.db2.gz KCEYQWDOPKKCCD-VYDXJSESSA-N 1 0 336.476 2.854 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000161210284 473217767 /nfs/dbraw/zinc/21/77/67/473217767.db2.gz LUPHLRDAESGDCL-HNNXBMFYSA-N 1 0 341.459 2.523 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000161215257 473218288 /nfs/dbraw/zinc/21/82/88/473218288.db2.gz UHJFACWDGCLZOG-UHFFFAOYSA-N 1 0 336.436 2.972 20 70 EFIDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)n1Cc1ccccn1 ZINC000161219807 473219020 /nfs/dbraw/zinc/21/90/20/473219020.db2.gz BTMGSBPWFFHGQY-HOTGVXAUSA-N 1 0 326.444 2.548 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000161227326 473219065 /nfs/dbraw/zinc/21/90/65/473219065.db2.gz MCPVDPFKEDZZRA-NSHDSACASA-N 1 0 326.412 2.785 20 70 EFIDRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000161259114 473220832 /nfs/dbraw/zinc/22/08/32/473220832.db2.gz BMJCPFXLCCHOQN-NEPJUHHUSA-N 1 0 325.250 2.621 20 70 EFIDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cnn1CC(C)C ZINC000161278115 473222671 /nfs/dbraw/zinc/22/26/71/473222671.db2.gz DXRHSXZVNQWHSW-QGZVFWFLSA-N 1 0 332.492 2.938 20 70 EFIDRO COc1ccc([C@@H](NC(=O)[C@H](C)[NH3+])c2ccccc2Cl)c(OC)c1 ZINC000161274162 473222889 /nfs/dbraw/zinc/22/28/89/473222889.db2.gz PIZXLVNMXVIXTG-GTNSWQLSSA-N 1 0 348.830 2.910 20 70 EFIDRO CC(C)n1cc(Br)cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161288569 473224141 /nfs/dbraw/zinc/22/41/41/473224141.db2.gz XYWXICVCWQUFCM-NEPJUHHUSA-N 1 0 328.254 2.831 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000161292523 473224554 /nfs/dbraw/zinc/22/45/54/473224554.db2.gz VOTLOBZYUHXBMH-UHFFFAOYSA-N 1 0 341.459 2.985 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 ZINC000161326400 473226675 /nfs/dbraw/zinc/22/66/75/473226675.db2.gz OMDBSLCMWXJTOQ-DZZUKKPASA-N 1 0 332.444 2.706 20 70 EFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCN(CC(F)F)CC2)CC1 ZINC000161322685 473226885 /nfs/dbraw/zinc/22/68/85/473226885.db2.gz UKBYBQGTCXWZCB-UHFFFAOYSA-N 1 0 345.478 2.544 20 70 EFIDRO CC(C)NC(=O)c1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000161338931 473227166 /nfs/dbraw/zinc/22/71/66/473227166.db2.gz COALPRPLVGKDDT-UHFFFAOYSA-N 1 0 345.487 2.818 20 70 EFIDRO CCOCCC1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000161343613 473228493 /nfs/dbraw/zinc/22/84/93/473228493.db2.gz UNMCGFMPMLCLEJ-WMZOPIPTSA-N 1 0 349.519 2.852 20 70 EFIDRO Cc1sc2[nH]c(CN(C[C@H]3CCOC3)C3CC3)nc(=O)c2c1C ZINC000161409733 473233276 /nfs/dbraw/zinc/23/32/76/473233276.db2.gz BVDXQHRCIDYYFQ-GFCCVEGCSA-N 1 0 333.457 2.602 20 70 EFIDRO CO[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1cccc(Cl)c1 ZINC000161408258 473233468 /nfs/dbraw/zinc/23/34/68/473233468.db2.gz IHJDTCMPASJPOY-QGZVFWFLSA-N 1 0 344.842 2.640 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000161377995 473231353 /nfs/dbraw/zinc/23/13/53/473231353.db2.gz HHONYROKJBWDEW-WWDZGPRUSA-N 1 0 349.544 2.997 20 70 EFIDRO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)cc2)c1 ZINC000161393844 473231578 /nfs/dbraw/zinc/23/15/78/473231578.db2.gz LAQMPQRTFZPUAB-QGZVFWFLSA-N 1 0 348.454 2.790 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2cccc(Br)c2)C1 ZINC000161391713 473232089 /nfs/dbraw/zinc/23/20/89/473232089.db2.gz OFXOMSBWNQLZOS-UONOGXRCSA-N 1 0 325.250 2.768 20 70 EFIDRO COC(=O)C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000161431336 473234604 /nfs/dbraw/zinc/23/46/04/473234604.db2.gz KHXZOIFLQHXLNW-KRWDZBQOSA-N 1 0 346.471 2.704 20 70 EFIDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000161418524 473234705 /nfs/dbraw/zinc/23/47/05/473234705.db2.gz RZPIQBQDVZPUJF-JKSUJKDBSA-N 1 0 347.507 2.657 20 70 EFIDRO COc1cccc([C@@H](CNC(=O)[C@H]2CCCCO2)[NH+]2CCCC2)c1 ZINC000161418422 473234791 /nfs/dbraw/zinc/23/47/91/473234791.db2.gz DJZFNKKWHBWCBL-QZTJIDSGSA-N 1 0 332.444 2.517 20 70 EFIDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000161421098 473234905 /nfs/dbraw/zinc/23/49/05/473234905.db2.gz IIMAWXUODOTAJE-VVLHAWIVSA-N 1 0 347.507 2.655 20 70 EFIDRO CCC[N@@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1COc2ccccc2O1 ZINC000161427291 473234994 /nfs/dbraw/zinc/23/49/94/473234994.db2.gz WQCWRRFRLNDNHC-CQSZACIVSA-N 1 0 346.452 2.899 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000161480155 473238836 /nfs/dbraw/zinc/23/88/36/473238836.db2.gz CINNYNZUBAHFKW-ZIAGYGMSSA-N 1 0 336.863 2.774 20 70 EFIDRO Cc1nc(COC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c(C)s1 ZINC000161498869 473239511 /nfs/dbraw/zinc/23/95/11/473239511.db2.gz UXUSMGVBASZLMK-KRWDZBQOSA-N 1 0 346.452 2.704 20 70 EFIDRO CCCCOc1c(Cl)cc(C(=O)N2CC[NH2+]CC2)cc1OC ZINC000159428557 473027143 /nfs/dbraw/zinc/02/71/43/473027143.db2.gz UMDGGDDBRADXAD-UHFFFAOYSA-N 1 0 326.824 2.573 20 70 EFIDRO CC(C)(C)n1cc(C(=O)N2CC[NH2+]CC2)c(-c2ccc(F)cc2F)n1 ZINC000159454817 473029575 /nfs/dbraw/zinc/02/95/75/473029575.db2.gz ORLSRNPDFHIMNY-UHFFFAOYSA-N 1 0 348.397 2.629 20 70 EFIDRO CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000159461270 473029626 /nfs/dbraw/zinc/02/96/26/473029626.db2.gz KRBOTMJZLSRIHS-ZDUSSCGKSA-N 1 0 348.871 2.773 20 70 EFIDRO CC(C)N(CCc1nccs1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159518940 473033605 /nfs/dbraw/zinc/03/36/05/473033605.db2.gz DMRXDQDNQWKIFE-CABCVRRESA-N 1 0 338.521 2.978 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCOCC1CC1 ZINC000159514119 473034079 /nfs/dbraw/zinc/03/40/79/473034079.db2.gz VRFZUBXJGHQZCJ-LPHOPBHVSA-N 1 0 345.487 2.623 20 70 EFIDRO C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CCC[C@@H]1O ZINC000159521340 473035678 /nfs/dbraw/zinc/03/56/78/473035678.db2.gz NPJUWXFEIGJJMK-MSOLQXFVSA-N 1 0 332.488 2.907 20 70 EFIDRO COC(=O)c1occc1CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159561769 473039015 /nfs/dbraw/zinc/03/90/15/473039015.db2.gz HKWQKQUWVLYHJW-IBGZPJMESA-N 1 0 327.380 2.740 20 70 EFIDRO CCN(CC)C(=O)C[N@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000159575910 473040196 /nfs/dbraw/zinc/04/01/96/473040196.db2.gz UBPNBUZYBODVCP-UHFFFAOYSA-N 1 0 332.366 2.928 20 70 EFIDRO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159598440 473042784 /nfs/dbraw/zinc/04/27/84/473042784.db2.gz YFTDZLYHETWCSI-MOPGFXCFSA-N 1 0 332.488 2.826 20 70 EFIDRO O=C(CN1CCO[C@@]2(CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000159614822 473044666 /nfs/dbraw/zinc/04/46/66/473044666.db2.gz VNRPFZLHQDVBGA-QFIPXVFZSA-N 1 0 348.446 2.750 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000159633027 473046611 /nfs/dbraw/zinc/04/66/11/473046611.db2.gz FYPUMDVHAHJNDU-HNNXBMFYSA-N 1 0 349.475 2.810 20 70 EFIDRO CCC[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2)CC[N@@H+]1CCOC ZINC000159647487 473048553 /nfs/dbraw/zinc/04/85/53/473048553.db2.gz VQLPLEVIHKLAMC-WMZOPIPTSA-N 1 0 333.476 2.890 20 70 EFIDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000159710246 473054053 /nfs/dbraw/zinc/05/40/53/473054053.db2.gz VZIJXFKIJKLHDY-ZFWWWQNUSA-N 1 0 337.489 2.989 20 70 EFIDRO CCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OCC ZINC000159786504 473061071 /nfs/dbraw/zinc/06/10/71/473061071.db2.gz NCKKIXKCUOCRJN-UHFFFAOYSA-N 1 0 334.460 2.962 20 70 EFIDRO O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000159891587 473070223 /nfs/dbraw/zinc/07/02/23/473070223.db2.gz NSZBGILSCJLUSY-HUUCEWRRSA-N 1 0 338.398 2.994 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 ZINC000159914560 473071119 /nfs/dbraw/zinc/07/11/19/473071119.db2.gz VDSCFVMABYVDQW-UHFFFAOYSA-N 1 0 335.411 2.640 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)NCC2(O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000159978409 473077573 /nfs/dbraw/zinc/07/75/73/473077573.db2.gz HQLMYTHEDJGGAU-SJLPKXTDSA-N 1 0 345.487 2.644 20 70 EFIDRO C[C@H](SCCN1CCOCC1)c1nnc(-c2cccs2)o1 ZINC000160012930 473079839 /nfs/dbraw/zinc/07/98/39/473079839.db2.gz NGMYUVKKGVCMOX-NSHDSACASA-N 1 0 325.459 2.925 20 70 EFIDRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC3(CCC3)C2)c1 ZINC000160044818 473082814 /nfs/dbraw/zinc/08/28/14/473082814.db2.gz GNIIXNGGAMSUSY-UHFFFAOYSA-N 1 0 331.460 2.713 20 70 EFIDRO CN(CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000160041166 473083358 /nfs/dbraw/zinc/08/33/58/473083358.db2.gz VKLZCIMVZNXHBY-UHFFFAOYSA-N 1 0 346.519 2.886 20 70 EFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)CSc1ccc(C(C)=O)c(F)c1 ZINC000160069794 473084050 /nfs/dbraw/zinc/08/40/50/473084050.db2.gz MYVCRZWYNHNQGY-LBPRGKRZSA-N 1 0 340.464 2.967 20 70 EFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(Nc2cnccn2)c1 ZINC000160070384 473085190 /nfs/dbraw/zinc/08/51/90/473085190.db2.gz FHULNIULLIIKPJ-AWEZNQCLSA-N 1 0 327.432 2.680 20 70 EFIDRO Cc1cccc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000160129921 473089518 /nfs/dbraw/zinc/08/95/18/473089518.db2.gz VHMASUKPTDTVPC-GOSISDBHSA-N 1 0 336.501 2.775 20 70 EFIDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1F ZINC000160124631 473090141 /nfs/dbraw/zinc/09/01/41/473090141.db2.gz PHNQZSGIVBUZCE-HNNXBMFYSA-N 1 0 340.464 2.773 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000160170522 473094107 /nfs/dbraw/zinc/09/41/07/473094107.db2.gz SDGVHKSKZVNTQB-CQSZACIVSA-N 1 0 328.503 2.696 20 70 EFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160189986 473095608 /nfs/dbraw/zinc/09/56/08/473095608.db2.gz CHKUVBSQMWPMEF-BLLLJJGKSA-N 1 0 337.489 2.735 20 70 EFIDRO CCCCn1ncc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000160195545 473095799 /nfs/dbraw/zinc/09/57/99/473095799.db2.gz UURBXKGIGBOSEH-DOTOQJQBSA-N 1 0 333.480 2.940 20 70 EFIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ncccc1F ZINC000160210194 473096666 /nfs/dbraw/zinc/09/66/66/473096666.db2.gz KZRKDYJBPOQKFB-UHFFFAOYSA-N 1 0 344.434 2.931 20 70 EFIDRO O=C(NCC[NH+]1CCCCCC1)c1ccnc(OCC(F)(F)F)c1 ZINC000160223664 473098310 /nfs/dbraw/zinc/09/83/10/473098310.db2.gz SDWIDEQOCBCNTB-UHFFFAOYSA-N 1 0 345.365 2.629 20 70 EFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000160248278 473101202 /nfs/dbraw/zinc/10/12/02/473101202.db2.gz PQBYJGACNJXUOD-CZUORRHYSA-N 1 0 336.480 2.672 20 70 EFIDRO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160322576 473108649 /nfs/dbraw/zinc/10/86/49/473108649.db2.gz BWRPNGVWVWMRLO-IAGOWNOFSA-N 1 0 325.497 2.707 20 70 EFIDRO CCN(CC)c1nc2sc(C(=O)N3CCC[C@@H]3C[NH3+])cc2s1 ZINC000160321343 473108737 /nfs/dbraw/zinc/10/87/37/473108737.db2.gz FNXWOSIZKVGWFX-SNVBAGLBSA-N 1 0 338.502 2.767 20 70 EFIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160339173 473109625 /nfs/dbraw/zinc/10/96/25/473109625.db2.gz KLDOEBMDGUSOPC-GFCCVEGCSA-N 1 0 347.385 2.641 20 70 EFIDRO COC(=O)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000160374033 473114338 /nfs/dbraw/zinc/11/43/38/473114338.db2.gz VGMNZMWPMFZXDH-IRXDYDNUSA-N 1 0 346.471 2.847 20 70 EFIDRO COC(=O)C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccc(C(C)(C)C)cc1 ZINC000160374408 473114549 /nfs/dbraw/zinc/11/45/49/473114549.db2.gz TYQQLOBFCWSSEV-MRXNPFEDSA-N 1 0 346.471 2.976 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000160388470 473115608 /nfs/dbraw/zinc/11/56/08/473115608.db2.gz HMXSXGYEMWUVIV-ZOBUZTSGSA-N 1 0 332.419 2.765 20 70 EFIDRO CC(C)[NH+]1CCC(NC(=O)c2cccc(Nc3cnn(C)c3)c2)CC1 ZINC000160419773 473121366 /nfs/dbraw/zinc/12/13/66/473121366.db2.gz UJBLRCFKSHJPCX-UHFFFAOYSA-N 1 0 341.459 2.766 20 70 EFIDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160432624 473124730 /nfs/dbraw/zinc/12/47/30/473124730.db2.gz WNUPNMJGVXPISS-SFHVURJKSA-N 1 0 347.459 2.849 20 70 EFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000160443160 473125795 /nfs/dbraw/zinc/12/57/95/473125795.db2.gz XOLIUGHQRRVELE-HNNXBMFYSA-N 1 0 336.443 2.560 20 70 EFIDRO CC(=O)Nc1ccccc1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000160445362 473126137 /nfs/dbraw/zinc/12/61/37/473126137.db2.gz ZXIZBHLDJFFNQL-UHFFFAOYSA-N 1 0 345.487 2.770 20 70 EFIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160449912 473127721 /nfs/dbraw/zinc/12/77/21/473127721.db2.gz BJFLPEQJYSRQQI-NPVYPNSJSA-N 1 0 330.428 2.714 20 70 EFIDRO Cn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2cccs2)n1 ZINC000160486599 473131510 /nfs/dbraw/zinc/13/15/10/473131510.db2.gz HUCVWFWDVCRMFA-HIFRSBDPSA-N 1 0 344.484 2.705 20 70 EFIDRO O=C1CCCCN1CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160479118 473131540 /nfs/dbraw/zinc/13/15/40/473131540.db2.gz PFVJHHSMDWPHAK-UHFFFAOYSA-N 1 0 326.444 2.559 20 70 EFIDRO Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2cccs2)n1 ZINC000160486475 473131881 /nfs/dbraw/zinc/13/18/81/473131881.db2.gz HUCVWFWDVCRMFA-UKRRQHHQSA-N 1 0 344.484 2.705 20 70 EFIDRO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C(N)=O)CC3)o2)cc1C ZINC000160491246 473132246 /nfs/dbraw/zinc/13/22/46/473132246.db2.gz VRSRJBZZZPVICW-ZDUSSCGKSA-N 1 0 328.416 2.612 20 70 EFIDRO C[C@H]1C[NH+](C[C@@H]2CCCN2c2nccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC000160495765 473134025 /nfs/dbraw/zinc/13/40/25/473134025.db2.gz CLACCONJWCENIA-AVGNSLFASA-N 1 0 344.381 2.573 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000160499936 473134170 /nfs/dbraw/zinc/13/41/70/473134170.db2.gz LEUGXCCVYZQGNK-CQSZACIVSA-N 1 0 331.243 2.570 20 70 EFIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160497790 473134297 /nfs/dbraw/zinc/13/42/97/473134297.db2.gz UMEJPGRFGBCKCQ-NWDGAFQWSA-N 1 0 347.385 2.687 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC000160505972 473135050 /nfs/dbraw/zinc/13/50/50/473135050.db2.gz IGBJVEGFGNXVNR-QGZVFWFLSA-N 1 0 347.503 2.773 20 70 EFIDRO CC[C@H](C)c1ccccc1OCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160524516 473138416 /nfs/dbraw/zinc/13/84/16/473138416.db2.gz HUIGHQLWLRDXML-DLBZAZTESA-N 1 0 348.487 2.542 20 70 EFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1OC(F)F)CC2 ZINC000160543654 473138793 /nfs/dbraw/zinc/13/87/93/473138793.db2.gz GRFYEOHLHHTVGB-BXKDBHETSA-N 1 0 340.349 2.993 20 70 EFIDRO O=C(/C=C/c1ccc(F)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160535023 473138938 /nfs/dbraw/zinc/13/89/38/473138938.db2.gz DUMBZXKDXFIHNZ-CECVADTLSA-N 1 0 346.446 2.723 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)C1 ZINC000160537758 473139149 /nfs/dbraw/zinc/13/91/49/473139149.db2.gz BWOKUIAPTYRCMS-CYBMUJFWSA-N 1 0 337.851 2.759 20 70 EFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)CC2 ZINC000160543552 473139289 /nfs/dbraw/zinc/13/92/89/473139289.db2.gz GRFYEOHLHHTVGB-CABZTGNLSA-N 1 0 340.349 2.993 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2oc1=O ZINC000160569146 473143526 /nfs/dbraw/zinc/14/35/26/473143526.db2.gz VXQVDUCDKCJNOC-OAHLLOKOSA-N 1 0 328.412 2.643 20 70 EFIDRO CC1CC[NH+](CCCNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160581475 473146850 /nfs/dbraw/zinc/14/68/50/473146850.db2.gz VUXWOJRAPOELKB-UHFFFAOYSA-N 1 0 347.385 2.689 20 70 EFIDRO CC(C)CC1(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCC1 ZINC000160614210 473151853 /nfs/dbraw/zinc/15/18/53/473151853.db2.gz YZPRTYIWFYXPNB-OALUTQOASA-N 1 0 344.499 2.954 20 70 EFIDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)O ZINC000160642060 473155298 /nfs/dbraw/zinc/15/52/98/473155298.db2.gz UCMVXCCTYMDIGX-JTQLQIEISA-N 1 0 329.238 2.527 20 70 EFIDRO Nc1nc(-n2cccn2)cc(N[C@@H]2CCO[C@H](c3ccccc3)C2)[nH+]1 ZINC000160659958 473158021 /nfs/dbraw/zinc/15/80/21/473158021.db2.gz JQODSGHNDSMRMD-CABCVRRESA-N 1 0 336.399 2.577 20 70 EFIDRO COc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)c1 ZINC000160692840 473161742 /nfs/dbraw/zinc/16/17/42/473161742.db2.gz CENLCTAJJFGGEL-UHFFFAOYSA-N 1 0 349.438 2.803 20 70 EFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1F)C1CC1 ZINC000160689316 473162407 /nfs/dbraw/zinc/16/24/07/473162407.db2.gz DTGZVDMNNQYLOR-MRXNPFEDSA-N 1 0 331.435 2.984 20 70 EFIDRO O=C1[C@@H]([NH+]2CCC(n3ccnc3)CC2)CCCN1c1ccccc1F ZINC000160710903 473164354 /nfs/dbraw/zinc/16/43/54/473164354.db2.gz YQQJIZOEUIFLQQ-SFHVURJKSA-N 1 0 342.418 2.855 20 70 EFIDRO COC(=O)CCn1nc(C)c(CN(C)Cc2ccccc2F)c1C ZINC000160728615 473167362 /nfs/dbraw/zinc/16/73/62/473167362.db2.gz GHIWCXUNRXLLAO-UHFFFAOYSA-N 1 0 333.407 2.834 20 70 EFIDRO CCCN(C(=O)c1ccc(Br)cc1OC)[C@H]1CC[NH2+]C1 ZINC000160730314 473167638 /nfs/dbraw/zinc/16/76/38/473167638.db2.gz DDOOFUQMKOCTPF-LBPRGKRZSA-N 1 0 341.249 2.672 20 70 EFIDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160736910 473168581 /nfs/dbraw/zinc/16/85/81/473168581.db2.gz WAGKAANBERGLKE-NQYYFHDYSA-N 1 0 345.487 2.888 20 70 EFIDRO CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2ccc(F)cc2)CC1 ZINC000160746791 473169455 /nfs/dbraw/zinc/16/94/55/473169455.db2.gz FEOXLYFRVCNDGL-GOSISDBHSA-N 1 0 335.467 2.857 20 70 EFIDRO COC(=O)c1csc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000160740824 473170076 /nfs/dbraw/zinc/17/00/76/473170076.db2.gz CLECWTJIWNJOTO-UHFFFAOYSA-N 1 0 325.434 2.529 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000160766354 473172207 /nfs/dbraw/zinc/17/22/07/473172207.db2.gz JLUAUNZFORPFBH-RYUDHWBXSA-N 1 0 345.424 2.539 20 70 EFIDRO CC[C@H](C)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)on1 ZINC000160790908 473175283 /nfs/dbraw/zinc/17/52/83/473175283.db2.gz ZPFQAEQVUQYQEP-ZDUSSCGKSA-N 1 0 343.431 2.587 20 70 EFIDRO Cn1cnnc1CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000160801049 473175920 /nfs/dbraw/zinc/17/59/20/473175920.db2.gz CLGDBAYRZKNERT-UHFFFAOYSA-N 1 0 331.807 2.989 20 70 EFIDRO Cc1c(/C=C/C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cnn1C ZINC000160810289 473177335 /nfs/dbraw/zinc/17/73/35/473177335.db2.gz PRLDWPCVIGBFIF-MDZDMXLPSA-N 1 0 344.503 2.856 20 70 EFIDRO Cc1c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1cc(C)ccc1C ZINC000160818501 473178140 /nfs/dbraw/zinc/17/81/40/473178140.db2.gz GMNFVFIQFAMREH-MRXNPFEDSA-N 1 0 341.459 2.965 20 70 EFIDRO Cc1cnn([C@H]2CCCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000160832823 473181012 /nfs/dbraw/zinc/18/10/12/473181012.db2.gz QRZGPCUOEDBEGC-WMZOPIPTSA-N 1 0 345.491 2.555 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccc(Br)cc2F)C1 ZINC000160839810 473181898 /nfs/dbraw/zinc/18/18/98/473181898.db2.gz UCOKKKDOFAFNQV-STQMWFEESA-N 1 0 343.240 2.907 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000160853317 473183721 /nfs/dbraw/zinc/18/37/21/473183721.db2.gz HAEODIOUDKMQGQ-ZFWWWQNUSA-N 1 0 327.384 2.532 20 70 EFIDRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[NH2+]CC1 ZINC000160870537 473185556 /nfs/dbraw/zinc/18/55/56/473185556.db2.gz WGKFNQIJSOCBLN-CQSZACIVSA-N 1 0 339.277 2.840 20 70 EFIDRO Cc1ccc(-n2nc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c3c2CCC3)cc1 ZINC000160868378 473185945 /nfs/dbraw/zinc/18/59/45/473185945.db2.gz FFEQCNHJJBQJCL-CABCVRRESA-N 1 0 338.455 2.669 20 70 EFIDRO Cc1c(/C=C/C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000160882952 473186641 /nfs/dbraw/zinc/18/66/41/473186641.db2.gz DHBGMSDPCNDJJA-LAELXIFRSA-N 1 0 332.492 2.614 20 70 EFIDRO O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160888152 473186800 /nfs/dbraw/zinc/18/68/00/473186800.db2.gz PMLQUSGKVOVDHH-UWWQBHOKSA-N 1 0 339.863 2.707 20 70 EFIDRO CCCO[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160879226 473187432 /nfs/dbraw/zinc/18/74/32/473187432.db2.gz HDZYHVMGDAKNSH-AEFFLSMTSA-N 1 0 337.508 2.994 20 70 EFIDRO C[N@H+](CCNC(=O)C[C@H]1CSCCS1)Cc1ccc(F)cc1 ZINC000160905340 473189022 /nfs/dbraw/zinc/18/90/22/473189022.db2.gz HBXLDVJWFLNPNH-HNNXBMFYSA-N 1 0 342.505 2.612 20 70 EFIDRO CS[C@H](C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000160903118 473189193 /nfs/dbraw/zinc/18/91/93/473189193.db2.gz IVJHTZWEWCXYSG-ZIAGYGMSSA-N 1 0 336.505 2.658 20 70 EFIDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160905899 473189694 /nfs/dbraw/zinc/18/96/94/473189694.db2.gz ANJTZCIJXHGFOG-AWEZNQCLSA-N 1 0 334.464 2.736 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)C1 ZINC000160908180 473189737 /nfs/dbraw/zinc/18/97/37/473189737.db2.gz XTDYVPRBFQRKQZ-CABCVRRESA-N 1 0 332.835 2.585 20 70 EFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000160912189 473190237 /nfs/dbraw/zinc/19/02/37/473190237.db2.gz YCDBRLGTYRYUAY-MSOLQXFVSA-N 1 0 342.487 2.899 20 70 EFIDRO CC[C@H](C)c1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)on1 ZINC000160942933 473193556 /nfs/dbraw/zinc/19/35/56/473193556.db2.gz WFODWJWVGLSJST-AWEZNQCLSA-N 1 0 342.443 2.978 20 70 EFIDRO O=C(NC[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)c1ccccc1 ZINC000160959981 473194598 /nfs/dbraw/zinc/19/45/98/473194598.db2.gz RXOQDZSOSRSCBW-QGZVFWFLSA-N 1 0 348.450 2.976 20 70 EFIDRO Fc1ccc(F)c(N2CCN(Cc3cnc4ccccn34)CC2)c1 ZINC000160985525 473196828 /nfs/dbraw/zinc/19/68/28/473196828.db2.gz VZQPNZRZICFEKV-UHFFFAOYSA-N 1 0 328.366 2.935 20 70 EFIDRO C[NH+](C)C1CN(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)C1 ZINC000160989112 473197467 /nfs/dbraw/zinc/19/74/67/473197467.db2.gz FSXZMRUTXZXLDU-UHFFFAOYSA-N 1 0 339.443 2.603 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(OC)cc2)cc1 ZINC000161006207 473198668 /nfs/dbraw/zinc/19/86/68/473198668.db2.gz FLLNKNFNDMGINM-AWEZNQCLSA-N 1 0 328.412 2.671 20 70 EFIDRO COc1cccc([C@H](CNC(=O)c2cccc(F)n2)[NH+]2CCCC2)c1 ZINC000161008508 473199025 /nfs/dbraw/zinc/19/90/25/473199025.db2.gz VKPZPFYBWHVLIL-KRWDZBQOSA-N 1 0 343.402 2.796 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)CC1 ZINC000161031560 473200932 /nfs/dbraw/zinc/20/09/32/473200932.db2.gz KLPPCNFATGVNDQ-AWEZNQCLSA-N 1 0 334.435 2.883 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000161037430 473201010 /nfs/dbraw/zinc/20/10/10/473201010.db2.gz BSRWKXFLIXLDAF-UHFFFAOYSA-N 1 0 342.443 2.547 20 70 EFIDRO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000161050354 473201433 /nfs/dbraw/zinc/20/14/33/473201433.db2.gz JSPIFKBLDMZKCD-KURKYZTESA-N 1 0 347.503 2.604 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000161055798 473202309 /nfs/dbraw/zinc/20/23/09/473202309.db2.gz MOEDHJNOTMHBPM-GFCCVEGCSA-N 1 0 339.461 2.778 20 70 EFIDRO CCc1nnc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000161053198 473202788 /nfs/dbraw/zinc/20/27/88/473202788.db2.gz GMFVIXWCCYKAKM-GXTWGEPZSA-N 1 0 345.472 2.743 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CCO1 ZINC000161062341 473203632 /nfs/dbraw/zinc/20/36/32/473203632.db2.gz BFWHJXCHXBBAKP-QZTJIDSGSA-N 1 0 333.476 2.808 20 70 EFIDRO Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)n2)cc1F ZINC000161061314 473203899 /nfs/dbraw/zinc/20/38/99/473203899.db2.gz SNZPSPXAHMTBPC-ZIAGYGMSSA-N 1 0 346.406 2.503 20 70 EFIDRO Cc1cc(-c2noc(CCC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)n2)ccc1F ZINC000161062002 473203920 /nfs/dbraw/zinc/20/39/20/473203920.db2.gz BGDXOVQCYFZCST-KGLIPLIRSA-N 1 0 346.406 2.503 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2oc(Br)cc2C)CC1 ZINC000161067787 473203928 /nfs/dbraw/zinc/20/39/28/473203928.db2.gz CQDSARUSLGKJNZ-UHFFFAOYSA-N 1 0 329.238 2.812 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 ZINC000161078690 473204153 /nfs/dbraw/zinc/20/41/53/473204153.db2.gz CWUVDPLIVAVJQN-UHFFFAOYSA-N 1 0 330.476 2.534 20 70 EFIDRO Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000217141882 474141720 /nfs/dbraw/zinc/14/17/20/474141720.db2.gz UKNUSDVRBQEKBX-IEBWSBKVSA-N 1 0 329.488 2.812 20 70 EFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCSC2)c(OC)c1 ZINC000159534542 534088486 /nfs/dbraw/zinc/08/84/86/534088486.db2.gz SJLHLBQYVJVBPE-OLZOCXBDSA-N 1 0 338.473 2.906 20 70 EFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000160083436 534089154 /nfs/dbraw/zinc/08/91/54/534089154.db2.gz LPVIENOFVFHKRS-FZKQIMNGSA-N 1 0 348.468 2.971 20 70 EFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCSC2)c(OC)c1 ZINC000159534415 534093509 /nfs/dbraw/zinc/09/35/09/534093509.db2.gz SJLHLBQYVJVBPE-STQMWFEESA-N 1 0 338.473 2.906 20 70 EFIDRO Cc1cc2oc(=O)cc(C[N@H+](C)CC(C)(CO)CO)c2cc1C(C)C ZINC000159537388 534141141 /nfs/dbraw/zinc/14/11/41/534141141.db2.gz UOUHCOLFIFZLCQ-UHFFFAOYSA-N 1 0 347.455 2.648 20 70 EFIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000159571240 534162859 /nfs/dbraw/zinc/16/28/59/534162859.db2.gz ZGSNTNDRPXHPEV-KSSFIOAISA-N 1 0 334.435 2.721 20 70 EFIDRO O=C(CCNC(=O)C1CCCCC1)NCC[NH2+]C1CCCCCC1 ZINC000159693169 534421701 /nfs/dbraw/zinc/42/17/01/534421701.db2.gz ITOXJHKSHDDSLD-UHFFFAOYSA-N 1 0 337.508 2.502 20 70 EFIDRO CC(C)c1noc2ncc(C(=O)NCCC[NH+]3CCCCC3)cc21 ZINC000217682306 519912309 /nfs/dbraw/zinc/91/23/09/519912309.db2.gz LSUJKCJTXOUVMR-UHFFFAOYSA-N 1 0 330.432 2.952 20 70 EFIDRO O=C(C[NH2+]C[C@@H]1CCCO1)NC(c1cccs1)c1cccs1 ZINC000159923840 534592064 /nfs/dbraw/zinc/59/20/64/534592064.db2.gz WGOCAPSMUYPNKE-LBPRGKRZSA-N 1 0 336.482 2.784 20 70 EFIDRO O=C(c1cc(=O)[nH]c2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159811297 534668903 /nfs/dbraw/zinc/66/89/03/534668903.db2.gz HURPFVXJUGPRSB-UHFFFAOYSA-N 1 0 325.412 2.545 20 70 EFIDRO Cc1ccc(NC(=O)NC(=O)C[N@H+](CCO)C2CCCCC2)cc1C ZINC000217140749 525151477 /nfs/dbraw/zinc/15/14/77/525151477.db2.gz YZUVTKWVWXEXGA-UHFFFAOYSA-N 1 0 347.459 2.579 20 70 EFIDRO Cc1noc(C)c1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161481396 526480111 /nfs/dbraw/zinc/48/01/11/526480111.db2.gz IUWKUPSIJVQIBZ-UHFFFAOYSA-N 1 0 333.476 2.993 20 70 EFIDRO CC(C)CCOc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160528651 527774892 /nfs/dbraw/zinc/77/48/92/527774892.db2.gz GMGPOZGNPFAQPJ-GOSISDBHSA-N 1 0 348.487 2.688 20 70 EFIDRO CCOC(=O)[C@H](CC)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160034382 528007494 /nfs/dbraw/zinc/00/74/94/528007494.db2.gz OIDZWURWHILCQL-KRWDZBQOSA-N 1 0 333.476 2.962 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000159446551 528023881 /nfs/dbraw/zinc/02/38/81/528023881.db2.gz SMKFFRFZSCOYAD-MRXNPFEDSA-N 1 0 345.487 2.843 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2-c2cccs2)C1 ZINC000159778724 528027553 /nfs/dbraw/zinc/02/75/53/528027553.db2.gz IEZNSJNHSACHCY-CQSZACIVSA-N 1 0 346.500 2.856 20 70 EFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000159874818 528034866 /nfs/dbraw/zinc/03/48/66/528034866.db2.gz JQIIZAFNRRRSJQ-GJZGRUSLSA-N 1 0 337.533 2.731 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000159469498 528109141 /nfs/dbraw/zinc/10/91/41/528109141.db2.gz ZXFRCDXMLKOYIX-ZWKOTPCHSA-N 1 0 333.476 2.938 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159469080 528109299 /nfs/dbraw/zinc/10/92/99/528109299.db2.gz ZXFRCDXMLKOYIX-MSOLQXFVSA-N 1 0 333.476 2.938 20 70 EFIDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCC(=O)c1ccc(C)cc1)CC2 ZINC000159798787 528148002 /nfs/dbraw/zinc/14/80/02/528148002.db2.gz RKLHQFOWOTZIPI-OALUTQOASA-N 1 0 331.456 2.820 20 70 EFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H](COC)C2CC2)cc1 ZINC000160248892 528153143 /nfs/dbraw/zinc/15/31/43/528153143.db2.gz DCYKWXZOQUYQAA-GOSISDBHSA-N 1 0 349.475 2.954 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cnn(C)c1C)c1ccsc1 ZINC000159743765 528241293 /nfs/dbraw/zinc/24/12/93/528241293.db2.gz DVOFBBNWIKQMGW-INIZCTEOSA-N 1 0 349.504 2.672 20 70 EFIDRO CCOc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC(F)F ZINC000159834966 528264102 /nfs/dbraw/zinc/26/41/02/528264102.db2.gz TWJLWFUMDUTEBJ-UHFFFAOYSA-N 1 0 342.386 2.774 20 70 EFIDRO CC(C)[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160270308 528424551 /nfs/dbraw/zinc/42/45/51/528424551.db2.gz IWSRRDFINQXDMO-RTBURBONSA-N 1 0 332.488 2.779 20 70 EFIDRO CCCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000159806764 528670868 /nfs/dbraw/zinc/67/08/68/528670868.db2.gz XAVGGDKRSZBFCM-UHFFFAOYSA-N 1 0 334.460 2.962 20 70 EFIDRO CCOCC[NH+]1CCN(CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000159919194 528750682 /nfs/dbraw/zinc/75/06/82/528750682.db2.gz UPSGGJMGJHKBMY-UHFFFAOYSA-N 1 0 346.393 2.782 20 70 EFIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](O)c1ccccc1 ZINC000159786155 528836214 /nfs/dbraw/zinc/83/62/14/528836214.db2.gz QFKOFIVZOOQNTA-IBGZPJMESA-N 1 0 326.440 2.877 20 70 EFIDRO CCC[C@@H](CCO)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160911063 528931682 /nfs/dbraw/zinc/93/16/82/528931682.db2.gz FWTGXTYIJDBDQN-DLBZAZTESA-N 1 0 327.513 2.595 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1cccc(OCc2cscn2)c1 ZINC000160548886 528947207 /nfs/dbraw/zinc/94/72/07/528947207.db2.gz AUGNZSPCIAQLGR-UHFFFAOYSA-N 1 0 333.457 2.969 20 70 EFIDRO CCN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@@H](C)c1ccc(F)cc1 ZINC000159737141 528949022 /nfs/dbraw/zinc/94/90/22/528949022.db2.gz BJMHLRSALRGHCF-ZVZYQTTQSA-N 1 0 336.451 2.828 20 70 EFIDRO CCN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H](C)c1ccc(F)cc1 ZINC000159737278 528950201 /nfs/dbraw/zinc/95/02/01/528950201.db2.gz BJMHLRSALRGHCF-HFTRVMKXSA-N 1 0 336.451 2.828 20 70 EFIDRO CCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000159561338 528973001 /nfs/dbraw/zinc/97/30/01/528973001.db2.gz VVEOIAKFNYCLPP-DOMZBBRYSA-N 1 0 344.377 2.993 20 70 EFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000159768194 528997292 /nfs/dbraw/zinc/99/72/92/528997292.db2.gz WWPFVTOZDJFKEK-OAHLLOKOSA-N 1 0 333.457 2.936 20 70 EFIDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160206469 528999125 /nfs/dbraw/zinc/99/91/25/528999125.db2.gz PLGHGKKQJRAELL-SFHVURJKSA-N 1 0 347.459 2.849 20 70 EFIDRO CCC[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000160159919 529021265 /nfs/dbraw/zinc/02/12/65/529021265.db2.gz PVPSSFPANPIQBU-HYVNUMGLSA-N 1 0 349.544 2.874 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccc(F)cc3)CCC2)CC1 ZINC000159790049 529022391 /nfs/dbraw/zinc/02/23/91/529022391.db2.gz QNDKJZWCLNBMHW-UHFFFAOYSA-N 1 0 333.451 2.985 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(Cl)cc2OC)CC1 ZINC000159834947 529027475 /nfs/dbraw/zinc/02/74/75/529027475.db2.gz VHIKYHFMIJEVEL-UHFFFAOYSA-N 1 0 325.840 2.586 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](COCC(C)C)c2ccco2)CC1 ZINC000159791874 529029114 /nfs/dbraw/zinc/02/91/14/529029114.db2.gz VFEBUHVWALIHOO-INIZCTEOSA-N 1 0 337.464 2.731 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000159539803 529031463 /nfs/dbraw/zinc/03/14/63/529031463.db2.gz RVLCKQPMUFGBFK-LJQANCHMSA-N 1 0 338.455 2.908 20 70 EFIDRO CC[NH+]1CCN(CCCNC(=O)CCCc2sccc2C)CC1 ZINC000161498479 529144425 /nfs/dbraw/zinc/14/44/25/529144425.db2.gz GJDCKZYOVIPBLZ-UHFFFAOYSA-N 1 0 337.533 2.523 20 70 EFIDRO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])CC1=O ZINC000160247149 529274688 /nfs/dbraw/zinc/27/46/88/529274688.db2.gz HNTDXLYOLYYWTJ-HRCADAONSA-N 1 0 343.471 2.503 20 70 EFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160129285 529342037 /nfs/dbraw/zinc/34/20/37/529342037.db2.gz HUKUFKRZXMUYTG-RHSMWYFYSA-N 1 0 335.448 2.706 20 70 EFIDRO O=S(=O)(F)c1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165050504 721978905 /nfs/dbraw/zinc/97/89/05/721978905.db2.gz UBKATGGDARMXRA-AWEZNQCLSA-N 1 0 341.452 2.585 20 70 EFIDRO CC[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159853487 529443076 /nfs/dbraw/zinc/44/30/76/529443076.db2.gz HMRCLVFFGBFMAM-INIZCTEOSA-N 1 0 338.473 2.610 20 70 EFIDRO CC[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)Oc1ccccc1C ZINC000159952047 529478957 /nfs/dbraw/zinc/47/89/57/529478957.db2.gz YCHARVGEXDMZBZ-KRWDZBQOSA-N 1 0 333.476 2.890 20 70 EFIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C(CC)(CC)C[NH3+])ccc2NC1=O ZINC000161247242 529474391 /nfs/dbraw/zinc/47/43/91/529474391.db2.gz VCUMGAUXTBQCPQ-WFASDCNBSA-N 1 0 347.459 2.738 20 70 EFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160105849 529690483 /nfs/dbraw/zinc/69/04/83/529690483.db2.gz FYYDXWSBGSTVES-STQMWFEESA-N 1 0 330.469 2.610 20 70 EFIDRO CN(CC[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC000160112100 529917051 /nfs/dbraw/zinc/91/70/51/529917051.db2.gz LVPOKFLKDVAOCB-UHFFFAOYSA-N 1 0 347.400 2.874 20 70 EFIDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)nnn1-c1cccc(Cl)c1 ZINC000159629703 239032323 /nfs/dbraw/zinc/03/23/23/239032323.db2.gz JDLAZKCODPRNBU-UHFFFAOYSA-N 1 0 347.850 2.621 20 70 EFIDRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCC(C)(C)[NH3+] ZINC000159956337 239039372 /nfs/dbraw/zinc/03/93/72/239039372.db2.gz HZGOHWARJDCKDC-UHFFFAOYSA-N 1 0 348.878 2.847 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000160198202 239044386 /nfs/dbraw/zinc/04/43/86/239044386.db2.gz KGGCMWGTXPWTJQ-AWEZNQCLSA-N 1 0 329.425 2.564 20 70 EFIDRO O=C(COc1ccc(Cl)c(Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160301277 239047847 /nfs/dbraw/zinc/04/78/47/239047847.db2.gz SVBFSCZEAHJNSC-PHIMTYICSA-N 1 0 329.227 2.725 20 70 EFIDRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160365623 239049615 /nfs/dbraw/zinc/04/96/15/239049615.db2.gz XIBHAQRSHSUORD-LPHOPBHVSA-N 1 0 338.451 2.994 20 70 EFIDRO O=C1CCCN1C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161305643 296318841 /nfs/dbraw/zinc/31/88/41/296318841.db2.gz OZFLDDLQJVUWQE-GOSISDBHSA-N 1 0 344.455 2.625 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000160728462 533030643 /nfs/dbraw/zinc/03/06/43/533030643.db2.gz JQVVADRPBQDGIM-AWEZNQCLSA-N 1 0 326.362 2.947 20 70 EFIDRO COc1ccc([C@H](CNC(=O)[C@@H]2CCCCO2)[NH+]2CCCCC2)cc1 ZINC000159881564 533181530 /nfs/dbraw/zinc/18/15/30/533181530.db2.gz CWFJZPSJBHNRJJ-OALUTQOASA-N 1 0 346.471 2.908 20 70 EFIDRO COc1ccc(C)nc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000160466549 258070480 /nfs/dbraw/zinc/07/04/80/258070480.db2.gz QLBCEYQSXXPFRK-HNNXBMFYSA-N 1 0 332.448 2.738 20 70 EFIDRO COC[C@H](C)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000160843347 285354491 /nfs/dbraw/zinc/35/44/91/285354491.db2.gz PXERMEGIPJZCSJ-VHSXEESVSA-N 1 0 330.222 2.906 20 70 EFIDRO COCc1nc(C)cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160214668 533280186 /nfs/dbraw/zinc/28/01/86/533280186.db2.gz UWRVKYPZYAZABT-WMLDXEAASA-N 1 0 326.444 2.864 20 70 EFIDRO COCc1nc(C)cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160214794 533280586 /nfs/dbraw/zinc/28/05/86/533280586.db2.gz UWRVKYPZYAZABT-YOEHRIQHSA-N 1 0 326.444 2.864 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000160995480 533587014 /nfs/dbraw/zinc/58/70/14/533587014.db2.gz CZBFSDAUZVYYEB-SFHVURJKSA-N 1 0 340.423 2.815 20 70 EFIDRO Cc1cc(C[NH+]2CCC(CC(N)=O)CC2)cc(C)c1OC(F)F ZINC000159753350 533594501 /nfs/dbraw/zinc/59/45/01/533594501.db2.gz ZWZKBYNTOWZIKC-UHFFFAOYSA-N 1 0 326.387 2.992 20 70 EFIDRO C[C@@H](CCO)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000159877733 533632403 /nfs/dbraw/zinc/63/24/03/533632403.db2.gz XKFHREWJYYPSEJ-HOTGVXAUSA-N 1 0 333.476 2.720 20 70 EFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000159474613 533648965 /nfs/dbraw/zinc/64/89/65/533648965.db2.gz YEHFCSDHZWGOME-BDAKNGLRSA-N 1 0 338.757 2.998 20 70 EFIDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000159516352 225231881 /nfs/dbraw/zinc/23/18/81/225231881.db2.gz ZIUCBYNEMMIUIL-STQMWFEESA-N 1 0 338.473 2.906 20 70 EFIDRO COc1cccc(C2(CNC(=O)[C@@H]([NH3+])CCSC)CCCC2)c1 ZINC000159477771 225225567 /nfs/dbraw/zinc/22/55/67/225225567.db2.gz ZCTPUEXPOGIZTP-INIZCTEOSA-N 1 0 336.501 2.704 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000159730591 225268299 /nfs/dbraw/zinc/26/82/99/225268299.db2.gz PFCMXMLNEOIHLL-UHFFFAOYSA-N 1 0 345.487 2.686 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2cscn2)C[N@@H+]1Cc1ccccc1 ZINC000159896732 225298764 /nfs/dbraw/zinc/29/87/64/225298764.db2.gz OJERRNCVMQAKPR-GOEBONIOSA-N 1 0 344.484 2.948 20 70 EFIDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc2[nH]c(=O)oc21 ZINC000160031735 225323539 /nfs/dbraw/zinc/32/35/39/225323539.db2.gz DUXVLTIWAQDDSC-UHFFFAOYSA-N 1 0 343.427 2.648 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CCSC1 ZINC000160024354 225321406 /nfs/dbraw/zinc/32/14/06/225321406.db2.gz LBFIFVKEULMJJG-OIISXLGYSA-N 1 0 333.501 2.654 20 70 EFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160288601 225382148 /nfs/dbraw/zinc/38/21/48/225382148.db2.gz WGDOILIIWOWFTJ-QAPCUYQASA-N 1 0 347.459 2.850 20 70 EFIDRO O[C@@H](COCc1cccs1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160306990 225384462 /nfs/dbraw/zinc/38/44/62/225384462.db2.gz SDBUKBKFBDRKPU-CQSZACIVSA-N 1 0 338.498 2.509 20 70 EFIDRO O[C@H](COCc1cccs1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160307102 225385303 /nfs/dbraw/zinc/38/53/03/225385303.db2.gz SDBUKBKFBDRKPU-AWEZNQCLSA-N 1 0 338.498 2.509 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000160336112 225390093 /nfs/dbraw/zinc/39/00/93/225390093.db2.gz JJNJKROWVKXEFP-GOEBONIOSA-N 1 0 344.484 2.948 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000160348214 225394334 /nfs/dbraw/zinc/39/43/34/225394334.db2.gz GWYVIBSRGLDIOO-QFBILLFUSA-N 1 0 338.455 2.886 20 70 EFIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160095415 225337046 /nfs/dbraw/zinc/33/70/46/225337046.db2.gz BPFROOOPXUEGGP-KDOFPFPSSA-N 1 0 332.469 2.987 20 70 EFIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160095676 225337485 /nfs/dbraw/zinc/33/74/85/225337485.db2.gz BPFROOOPXUEGGP-RDTXWAMCSA-N 1 0 332.469 2.987 20 70 EFIDRO O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160109999 225340377 /nfs/dbraw/zinc/34/03/77/225340377.db2.gz RONMCVXKLJXRMN-ZDUSSCGKSA-N 1 0 344.427 2.604 20 70 EFIDRO Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000160145500 225347651 /nfs/dbraw/zinc/34/76/51/225347651.db2.gz UQILKCJPDMWSEV-HNNXBMFYSA-N 1 0 340.464 2.773 20 70 EFIDRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000160159019 225349347 /nfs/dbraw/zinc/34/93/47/225349347.db2.gz WNDAZNYPRCYXHZ-AWEZNQCLSA-N 1 0 346.880 2.535 20 70 EFIDRO O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000160152982 225349884 /nfs/dbraw/zinc/34/98/84/225349884.db2.gz CWJLUCSICWGRSM-UHFFFAOYSA-N 1 0 348.512 2.718 20 70 EFIDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCOC1 ZINC000160202041 225360064 /nfs/dbraw/zinc/36/00/64/225360064.db2.gz HLQQWKMSECTLBL-ZIBATOQPSA-N 1 0 326.799 2.599 20 70 EFIDRO Cc1nccn1-c1cncc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160222931 225364957 /nfs/dbraw/zinc/36/49/57/225364957.db2.gz BMFOIQVCIPQHTL-YJBOKZPZSA-N 1 0 348.454 2.903 20 70 EFIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000160224541 225365523 /nfs/dbraw/zinc/36/55/23/225365523.db2.gz OLDNCNQUYWBCAE-HZSPNIEDSA-N 1 0 327.453 2.906 20 70 EFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000160995508 225522692 /nfs/dbraw/zinc/52/26/92/225522692.db2.gz LWTGSGQOIMNLMS-HNNXBMFYSA-N 1 0 326.444 2.684 20 70 EFIDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)N1CCc2ccccc21 ZINC000159899821 544799199 /nfs/dbraw/zinc/79/91/99/544799199.db2.gz CUSSGVIXXKVFBF-HOTGVXAUSA-N 1 0 348.454 2.764 20 70 EFIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159869712 544799833 /nfs/dbraw/zinc/79/98/33/544799833.db2.gz OOEFYOSIDZTSGI-HZPDHXFCSA-N 1 0 327.453 2.904 20 70 EFIDRO CCO[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160062001 544801890 /nfs/dbraw/zinc/80/18/90/544801890.db2.gz PACKZPAGLWKYPY-QXAKKESOSA-N 1 0 345.487 2.860 20 70 EFIDRO COc1ccc([C@H](CNC(=O)NC2CC=CC2)[NH+]2CCCC2)cc1 ZINC000160291055 544803941 /nfs/dbraw/zinc/80/39/41/544803941.db2.gz WGNPFWIOUBAMJX-SFHVURJKSA-N 1 0 329.444 2.850 20 70 EFIDRO O=C(CCCc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160288247 544804075 /nfs/dbraw/zinc/80/40/75/544804075.db2.gz MICWEAAPUMZFAG-UXHICEINSA-N 1 0 344.499 2.893 20 70 EFIDRO CC(=O)Nc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1C ZINC000160388067 544804806 /nfs/dbraw/zinc/80/48/06/544804806.db2.gz OSUKBYWWUGMVIA-QGZVFWFLSA-N 1 0 331.460 2.804 20 70 EFIDRO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1cccc(-n2cnnn2)c1 ZINC000160386682 544805843 /nfs/dbraw/zinc/80/58/43/544805843.db2.gz SBNPHQOIZUNZDO-KXBFYZLASA-N 1 0 342.491 2.823 20 70 EFIDRO O=C(CCc1ccccc1F)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160533735 544806349 /nfs/dbraw/zinc/80/63/49/544806349.db2.gz DSYSSFAZOVEESM-RTBURBONSA-N 1 0 348.462 2.642 20 70 EFIDRO CC[C@H]1c2ccccc2CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000161097008 544809866 /nfs/dbraw/zinc/80/98/66/544809866.db2.gz ZXXFEQRMLGAPPP-KRWDZBQOSA-N 1 0 341.459 2.986 20 70 EFIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1cccc2ccccc21 ZINC000161295239 544811228 /nfs/dbraw/zinc/81/12/28/544811228.db2.gz CBFLCZORZDKPGZ-UHFFFAOYSA-N 1 0 346.434 2.996 20 70 EFIDRO CC(C)N(C(=O)CN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000161286701 544811251 /nfs/dbraw/zinc/81/12/51/544811251.db2.gz PQTFEBFRWZLXHR-UHFFFAOYSA-N 1 0 338.455 2.645 20 70 EFIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H](C)C1 ZINC000161305915 544812253 /nfs/dbraw/zinc/81/22/53/544812253.db2.gz PKOJUAREVCRWKS-YOEHRIQHSA-N 1 0 333.451 2.884 20 70 EFIDRO Cc1cc(C)c(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000161299876 544812615 /nfs/dbraw/zinc/81/26/15/544812615.db2.gz MDNAQGWSYHBJTH-UHFFFAOYSA-N 1 0 338.455 2.768 20 70 EFIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1cc(Cl)ccc1F ZINC000161354929 544813315 /nfs/dbraw/zinc/81/33/15/544813315.db2.gz GEMHLGOXJIEXAL-UHFFFAOYSA-N 1 0 348.809 2.635 20 70 EFIDRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161382289 544814100 /nfs/dbraw/zinc/81/41/00/544814100.db2.gz KBRCWGLOJSJUKC-CYBMUJFWSA-N 1 0 346.381 2.509 20 70 EFIDRO Cc1nccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1Cl ZINC000159734591 544798752 /nfs/dbraw/zinc/79/87/52/544798752.db2.gz RHFMTOCHIDRDJT-CYBMUJFWSA-N 1 0 340.855 2.618 20 70 EFIDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(F)ccc43)C2=O)n(C)n1 ZINC000159542946 274709785 /nfs/dbraw/zinc/70/97/85/274709785.db2.gz IHTHDNCJNINRHW-IAGOWNOFSA-N 1 0 342.418 2.640 20 70 EFIDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000161202197 275769262 /nfs/dbraw/zinc/76/92/62/275769262.db2.gz HSDUIKGSGRTLIB-MRXNPFEDSA-N 1 0 326.444 2.754 20 70 EFIDRO CCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C[NH3+])cs2)cc1 ZINC000160138747 276371794 /nfs/dbraw/zinc/37/17/94/276371794.db2.gz SWIMLMORPLGIBO-CYBMUJFWSA-N 1 0 331.441 2.772 20 70 EFIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160763880 276837712 /nfs/dbraw/zinc/83/77/12/276837712.db2.gz YCZXDTKTIJIONN-QZTJIDSGSA-N 1 0 331.460 2.644 20 70 EFIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160736807 288073786 /nfs/dbraw/zinc/07/37/86/288073786.db2.gz WAGKAANBERGLKE-YSHGAJCASA-N 1 0 345.487 2.888 20 70 EFIDRO C[C@@]1(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCC[NH2+]C1 ZINC000161350617 279155464 /nfs/dbraw/zinc/15/54/64/279155464.db2.gz UWYNJSKFNDWLQS-LJQANCHMSA-N 1 0 329.444 2.687 20 70 EFIDRO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000161250664 280806593 /nfs/dbraw/zinc/80/65/93/280806593.db2.gz RSWYPFHNQUPAKH-RBUKOAKNSA-N 1 0 330.472 2.687 20 70 EFIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161074672 290049622 /nfs/dbraw/zinc/04/96/22/290049622.db2.gz ZOIYAVSORCFYHC-QEJZJMRPSA-N 1 0 342.480 2.753 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)ccn1 ZINC000159684742 310690204 /nfs/dbraw/zinc/69/02/04/310690204.db2.gz WRGJHTNZYGFULH-INIZCTEOSA-N 1 0 348.491 2.790 20 70 EFIDRO C[NH+](C)CCCC1CC[NH+](Cc2c([O-])nnn2-c2ccccc2)CC1 ZINC000159999418 310693978 /nfs/dbraw/zinc/69/39/78/310693978.db2.gz WEXMIPHIRJWJRV-UHFFFAOYSA-N 1 0 343.475 2.527 20 70 EFIDRO CCCn1cc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cn1 ZINC000160162946 310695593 /nfs/dbraw/zinc/69/55/93/310695593.db2.gz DDRZZFCOPRZXMV-UHFFFAOYSA-N 1 0 329.448 2.773 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(C2CC2)n1 ZINC000160295302 310697259 /nfs/dbraw/zinc/69/72/59/310697259.db2.gz RLFVGXDNSMZBTR-HOTGVXAUSA-N 1 0 349.500 2.518 20 70 EFIDRO CC1CCC(NC(=O)CN2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC000160465830 310699072 /nfs/dbraw/zinc/69/90/72/310699072.db2.gz KLCGZQQXGACRBJ-UHFFFAOYSA-N 1 0 335.536 2.879 20 70 EFIDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000160791221 310702584 /nfs/dbraw/zinc/70/25/84/310702584.db2.gz AIHILNCEOSHPMO-AWEZNQCLSA-N 1 0 339.395 2.933 20 70 EFIDRO FC(F)(F)CN1CCC([NH2+]CCc2ccc3c(c2)OCO3)CC1 ZINC000161117035 310706300 /nfs/dbraw/zinc/70/63/00/310706300.db2.gz RSXPWXZUJWARMJ-UHFFFAOYSA-N 1 0 330.350 2.574 20 70 EFIDRO COc1ccc(Br)cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000161155930 310706689 /nfs/dbraw/zinc/70/66/89/310706689.db2.gz NJOSVCSFWWUHPC-ZDUSSCGKSA-N 1 0 341.249 2.528 20 70 EFIDRO C[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)[NH+]1CCC(C)CC1 ZINC000161448675 310709273 /nfs/dbraw/zinc/70/92/73/310709273.db2.gz COSKEIHDBATKTJ-CYBMUJFWSA-N 1 0 346.443 2.505 20 70 EFIDRO CCN(C(=O)NCc1ncoc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161118472 473208444 /nfs/dbraw/zinc/20/84/44/473208444.db2.gz SHZLRJKUYIGVQL-QGZVFWFLSA-N 1 0 342.443 2.789 20 70 EFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000161116398 473208638 /nfs/dbraw/zinc/20/86/38/473208638.db2.gz NGANSPAOLLGRKI-ZDUSSCGKSA-N 1 0 347.436 2.712 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1CO)CC(C)C ZINC000161123791 473209336 /nfs/dbraw/zinc/20/93/36/473209336.db2.gz ZLMJUEMAMMAGMW-GOSISDBHSA-N 1 0 335.492 2.735 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000161119026 473209440 /nfs/dbraw/zinc/20/94/40/473209440.db2.gz RCNDEPPJWVZBNF-LLVKDONJSA-N 1 0 336.379 2.955 20 70 EFIDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000161132576 473210474 /nfs/dbraw/zinc/21/04/74/473210474.db2.gz NYCGWLXGKFOSHC-UHFFFAOYSA-N 1 0 339.461 2.873 20 70 EFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000161159256 473213331 /nfs/dbraw/zinc/21/33/31/473213331.db2.gz MHBILGZOEHEWCI-KBPBESRZSA-N 1 0 338.883 2.916 20 70 EFIDRO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cncs1 ZINC000161174331 473213982 /nfs/dbraw/zinc/21/39/82/473213982.db2.gz XWADMIRVMTWWQI-AWEZNQCLSA-N 1 0 331.485 2.951 20 70 EFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161185949 473216111 /nfs/dbraw/zinc/21/61/11/473216111.db2.gz ZJSODUBJHQPUJP-ZFWWWQNUSA-N 1 0 342.480 2.754 20 70 EFIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000161201627 473216797 /nfs/dbraw/zinc/21/67/97/473216797.db2.gz XHIUMZMMHFNSLC-PBHICJAKSA-N 1 0 328.460 2.985 20 70 EFIDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000161201756 473217357 /nfs/dbraw/zinc/21/73/57/473217357.db2.gz XHIUMZMMHFNSLC-YOEHRIQHSA-N 1 0 328.460 2.985 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC000161216230 473218003 /nfs/dbraw/zinc/21/80/03/473218003.db2.gz DIUBBALIVJLJPR-GOSISDBHSA-N 1 0 341.459 2.508 20 70 EFIDRO CC1=C(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CCCO1 ZINC000161227112 473218470 /nfs/dbraw/zinc/21/84/70/473218470.db2.gz YEWMIQFEBTYPJQ-CQSZACIVSA-N 1 0 329.444 2.808 20 70 EFIDRO CCNC(=O)CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161226839 473219368 /nfs/dbraw/zinc/21/93/68/473219368.db2.gz VINVSDZJIYPJJT-UHFFFAOYSA-N 1 0 332.423 2.606 20 70 EFIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)C(CC)(CC)C[NH3+])c1 ZINC000161236043 473219573 /nfs/dbraw/zinc/21/95/73/473219573.db2.gz XEUZFHFCXGXDOE-UHFFFAOYSA-N 1 0 341.477 2.542 20 70 EFIDRO CC(C)c1nc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1-c1cccc(F)c1 ZINC000161243014 473219932 /nfs/dbraw/zinc/21/99/32/473219932.db2.gz GGKKEWZQXXLQKM-ZIAGYGMSSA-N 1 0 345.422 2.530 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 ZINC000161251590 473220873 /nfs/dbraw/zinc/22/08/73/473220873.db2.gz DCCJADJNNRSUQV-INIZCTEOSA-N 1 0 334.460 2.544 20 70 EFIDRO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000161259239 473220891 /nfs/dbraw/zinc/22/08/91/473220891.db2.gz BMJCPFXLCCHOQN-NWDGAFQWSA-N 1 0 325.250 2.621 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1cccc(F)c1 ZINC000161263048 473221763 /nfs/dbraw/zinc/22/17/63/473221763.db2.gz AADUPVVYVPMPCV-CVEARBPZSA-N 1 0 339.455 2.525 20 70 EFIDRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2cccc(Br)c2)C1 ZINC000161261778 473221991 /nfs/dbraw/zinc/22/19/91/473221991.db2.gz WGSJSSRXVOFASC-NSHDSACASA-N 1 0 343.290 2.609 20 70 EFIDRO COc1ccc([C@@H](NC(=O)[C@@H](C)[NH3+])c2ccccc2Cl)c(OC)c1 ZINC000161274396 473222456 /nfs/dbraw/zinc/22/24/56/473222456.db2.gz PIZXLVNMXVIXTG-DIFFPNOSSA-N 1 0 348.830 2.910 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000161285336 473223849 /nfs/dbraw/zinc/22/38/49/473223849.db2.gz LLRSLGCHZIETKT-UHFFFAOYSA-N 1 0 345.365 2.560 20 70 EFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000161312678 473225628 /nfs/dbraw/zinc/22/56/28/473225628.db2.gz NUUNZZNGPRIXET-KDOFPFPSSA-N 1 0 339.439 2.500 20 70 EFIDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)C1 ZINC000161309961 473225872 /nfs/dbraw/zinc/22/58/72/473225872.db2.gz CVXVTGHHJARSKH-INIZCTEOSA-N 1 0 345.487 2.672 20 70 EFIDRO Cc1[nH]c(=O)ccc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000161330954 473226459 /nfs/dbraw/zinc/22/64/59/473226459.db2.gz QVMKTIOOCMHGFR-UHFFFAOYSA-N 1 0 325.412 2.986 20 70 EFIDRO CCOCCC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000161343502 473228021 /nfs/dbraw/zinc/22/80/21/473228021.db2.gz UNMCGFMPMLCLEJ-FUHWJXTLSA-N 1 0 349.519 2.852 20 70 EFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000161345203 473228534 /nfs/dbraw/zinc/22/85/34/473228534.db2.gz VVFUTEKAORYMGL-MRXNPFEDSA-N 1 0 347.507 2.657 20 70 EFIDRO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000161345320 473228567 /nfs/dbraw/zinc/22/85/67/473228567.db2.gz VVFUTEKAORYMGL-INIZCTEOSA-N 1 0 347.507 2.657 20 70 EFIDRO C[NH2+]CC(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000161356774 473229150 /nfs/dbraw/zinc/22/91/50/473229150.db2.gz IDGNZJNFAGZTQM-UHFFFAOYSA-N 1 0 331.279 2.655 20 70 EFIDRO COc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1OCC(F)(F)F ZINC000161357147 473229678 /nfs/dbraw/zinc/22/96/78/473229678.db2.gz CJHQMIOFCFKMAS-OAHLLOKOSA-N 1 0 346.349 2.965 20 70 EFIDRO CO[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1cccc(Cl)c1 ZINC000161408129 473233880 /nfs/dbraw/zinc/23/38/80/473233880.db2.gz IHJDTCMPASJPOY-KRWDZBQOSA-N 1 0 344.842 2.640 20 70 EFIDRO COc1cc(F)cc2sc(NC(=O)[C@H]3CCn4ccnc4C3)nc21 ZINC000161413859 473234032 /nfs/dbraw/zinc/23/40/32/473234032.db2.gz GCGYTJNIEYFXMZ-VIFPVBQESA-N 1 0 346.387 2.842 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000161367796 473230052 /nfs/dbraw/zinc/23/00/52/473230052.db2.gz NQIAMWDETZJJQB-GOSISDBHSA-N 1 0 328.456 2.739 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000161367659 473230571 /nfs/dbraw/zinc/23/05/71/473230571.db2.gz NQIAMWDETZJJQB-SFHVURJKSA-N 1 0 328.456 2.739 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2cccc(Br)c2)C1 ZINC000161391851 473231894 /nfs/dbraw/zinc/23/18/94/473231894.db2.gz OFXOMSBWNQLZOS-KBPBESRZSA-N 1 0 325.250 2.768 20 70 EFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)nc1C ZINC000161391100 473232233 /nfs/dbraw/zinc/23/22/33/473232233.db2.gz AFBPKNWAHQTNGU-CQSZACIVSA-N 1 0 326.444 2.912 20 70 EFIDRO CCOCCC1(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000161396383 473233001 /nfs/dbraw/zinc/23/30/01/473233001.db2.gz GWZHQRSCOBQBLI-QGZVFWFLSA-N 1 0 333.476 2.795 20 70 EFIDRO COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCCO1)[NH+]1CCCC1 ZINC000161402889 473233074 /nfs/dbraw/zinc/23/30/74/473233074.db2.gz LAWBCYVMTMDSON-SJLPKXTDSA-N 1 0 332.444 2.517 20 70 EFIDRO Cc1csc(N2CCC([NH2+]C[C@H](CO)c3ccccc3)CC2)n1 ZINC000161442685 473236279 /nfs/dbraw/zinc/23/62/79/473236279.db2.gz YEUFJHXOWBMLAL-MRXNPFEDSA-N 1 0 331.485 2.786 20 70 EFIDRO C[C@H](C(=O)N(C)Cc1ccc([S@](C)=O)cc1)[C@H]([NH3+])c1ccccc1 ZINC000161467667 473237098 /nfs/dbraw/zinc/23/70/98/473237098.db2.gz RVXIUYYSVKUYLO-MYXDTRPFSA-N 1 0 344.480 2.719 20 70 EFIDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)NCC(F)(F)F ZINC000161466135 473237348 /nfs/dbraw/zinc/23/73/48/473237348.db2.gz YJHVSTQKJDPMOX-NSHDSACASA-N 1 0 348.365 2.593 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000161479281 473239027 /nfs/dbraw/zinc/23/90/27/473239027.db2.gz XKOIVQWSHQRSDZ-HIFRSBDPSA-N 1 0 337.489 2.845 20 70 EFIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000161484457 473239269 /nfs/dbraw/zinc/23/92/69/473239269.db2.gz TZOBHVIDTUSOGY-DAWZGUTISA-N 1 0 333.451 2.831 20 70 EFIDRO COc1cc(F)c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000161499293 473239829 /nfs/dbraw/zinc/23/98/29/473239829.db2.gz ZKIHJKWOMJJNAS-CYBMUJFWSA-N 1 0 338.423 2.837 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000161496263 473239910 /nfs/dbraw/zinc/23/99/10/473239910.db2.gz XKDAXJSUJASQFC-KPZWWZAWSA-N 1 0 344.411 2.987 20 70 EFIDRO CCOc1cc(Cl)ccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000161501501 473240034 /nfs/dbraw/zinc/24/00/34/473240034.db2.gz PASKTYWTTNBAEO-UHFFFAOYSA-N 1 0 349.822 2.507 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CC[C@@H](CC)C3)nc(N)c21 ZINC000161509604 473240759 /nfs/dbraw/zinc/24/07/59/473240759.db2.gz CLHJBYJKKGRWKT-LLVKDONJSA-N 1 0 332.404 2.522 20 70 EFIDRO CCNc1ncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000159372468 473022902 /nfs/dbraw/zinc/02/29/02/473022902.db2.gz FTDFQDJFGOCFJJ-ZFWWWQNUSA-N 1 0 344.484 2.825 20 70 EFIDRO O=C(c1csc(CCc2ccccc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159377253 473022959 /nfs/dbraw/zinc/02/29/59/473022959.db2.gz MMNZPZOUKQKUGE-IYBDPMFKSA-N 1 0 341.480 2.895 20 70 EFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000159383296 473023694 /nfs/dbraw/zinc/02/36/94/473023694.db2.gz DDJJSQLFNVSLKX-OCCSQVGLSA-N 1 0 332.286 2.811 20 70 EFIDRO O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccn1C1CC[NH2+]CC1 ZINC000159382100 473023198 /nfs/dbraw/zinc/02/31/98/473023198.db2.gz CLHQHJHKCQFRBW-XJKSGUPXSA-N 1 0 345.393 2.977 20 70 EFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000159444539 473028047 /nfs/dbraw/zinc/02/80/47/473028047.db2.gz SENVOLRWZYWAAP-MRXNPFEDSA-N 1 0 345.418 2.827 20 70 EFIDRO CC(C)COC(=O)N1CCCN(Cc2cnc3ccccn23)CC1 ZINC000159465105 473029358 /nfs/dbraw/zinc/02/93/58/473029358.db2.gz NUGQXWHOICXUQA-UHFFFAOYSA-N 1 0 330.432 2.635 20 70 EFIDRO CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000159452559 473029970 /nfs/dbraw/zinc/02/99/70/473029970.db2.gz URYGVWPEDFEHSE-ZDUSSCGKSA-N 1 0 348.871 2.773 20 70 EFIDRO O=C(Cc1csc(-c2ccoc2)n1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000159493099 473032695 /nfs/dbraw/zinc/03/26/95/473032695.db2.gz DTPQBWGLODFPAV-CQSZACIVSA-N 1 0 331.441 2.546 20 70 EFIDRO CCc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000159535079 473037320 /nfs/dbraw/zinc/03/73/20/473037320.db2.gz MZAMELIZTSWMCC-UHFFFAOYSA-N 1 0 338.455 2.577 20 70 EFIDRO O=C1[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCN1CC(F)(F)F ZINC000159537112 473037618 /nfs/dbraw/zinc/03/76/18/473037618.db2.gz HEJADSCJNABSSK-UONOGXRCSA-N 1 0 330.325 2.956 20 70 EFIDRO CC(C)OCCC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000159565223 473039755 /nfs/dbraw/zinc/03/97/55/473039755.db2.gz IWLKDXBZAUBCEX-UHFFFAOYSA-N 1 0 325.497 2.898 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000159579390 473041982 /nfs/dbraw/zinc/04/19/82/473041982.db2.gz DHVHEKKVGJVFMO-KRWDZBQOSA-N 1 0 341.459 2.712 20 70 EFIDRO COC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000159618829 473044019 /nfs/dbraw/zinc/04/40/19/473044019.db2.gz VFKJPECAWSBRHA-KBPBESRZSA-N 1 0 330.350 2.651 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000159634905 473046445 /nfs/dbraw/zinc/04/64/45/473046445.db2.gz BPMBNZWMHQSQCK-LXZKKBNFSA-N 1 0 325.474 2.682 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000159634633 473047415 /nfs/dbraw/zinc/04/74/15/473047415.db2.gz BPMBNZWMHQSQCK-QRTARXTBSA-N 1 0 325.474 2.682 20 70 EFIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000159642964 473047553 /nfs/dbraw/zinc/04/75/53/473047553.db2.gz LLNXTIIHGDFCCX-AWEZNQCLSA-N 1 0 343.475 2.506 20 70 EFIDRO CCOC(=O)CCc1ccc(NC(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000159646366 473048280 /nfs/dbraw/zinc/04/82/80/473048280.db2.gz DGEGQBKEWONFMM-UHFFFAOYSA-N 1 0 347.459 2.740 20 70 EFIDRO CCOc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](CC)CC2)cc1OC ZINC000159679785 473050843 /nfs/dbraw/zinc/05/08/43/473050843.db2.gz CNZTUDAJSNNLCK-OAHLLOKOSA-N 1 0 349.475 2.892 20 70 EFIDRO CCC(CC)(C[NH2+]CC(=O)N1CCCc2ccccc21)C(=O)OC ZINC000159674473 473050976 /nfs/dbraw/zinc/05/09/76/473050976.db2.gz MJROQYHJKVICRJ-UHFFFAOYSA-N 1 0 332.444 2.535 20 70 EFIDRO CCC(CC)(C[NH2+]CC(=O)N(C)C1CCC(C)CC1)C(=O)OC ZINC000159678921 473051253 /nfs/dbraw/zinc/05/12/53/473051253.db2.gz GWGOBHMJFZFNKE-UHFFFAOYSA-N 1 0 326.481 2.593 20 70 EFIDRO O=C(CSC[C@@H]1CCCCO1)NCC[NH2+]C1CCCCCC1 ZINC000159694892 473051886 /nfs/dbraw/zinc/05/18/86/473051886.db2.gz DSZVZYFMOQHYSF-INIZCTEOSA-N 1 0 328.522 2.717 20 70 EFIDRO CCCc1noc(CCCC(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000159703516 473052521 /nfs/dbraw/zinc/05/25/21/473052521.db2.gz TXPKVVVQVSTZMF-UHFFFAOYSA-N 1 0 336.480 2.773 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1CCOCC1)CC(C)C ZINC000159714107 473054115 /nfs/dbraw/zinc/05/41/15/473054115.db2.gz HKEFIRPIUHJYFY-QGZVFWFLSA-N 1 0 327.513 2.811 20 70 EFIDRO CC(=O)Nc1ccc(/C=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159737650 473057154 /nfs/dbraw/zinc/05/71/54/473057154.db2.gz BYHCLUQJMFDXFC-RMKNXTFCSA-N 1 0 341.455 2.649 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccn1 ZINC000159748410 473057779 /nfs/dbraw/zinc/05/77/79/473057779.db2.gz KLYGNWIAZNRUGD-JKSUJKDBSA-N 1 0 348.491 2.788 20 70 EFIDRO O=C(c1ccn(-c2cccc(F)c2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159802760 473062330 /nfs/dbraw/zinc/06/23/30/473062330.db2.gz FBHVZICGFJTWIN-UHFFFAOYSA-N 1 0 342.418 2.616 20 70 EFIDRO C[C@H](C[NH2+]C1CCN(CC(F)F)CC1)N1CCc2ccccc2C1 ZINC000159810075 473062943 /nfs/dbraw/zinc/06/29/43/473062943.db2.gz GFGITNHKVATVTR-OAHLLOKOSA-N 1 0 337.458 2.752 20 70 EFIDRO CC(C)n1cc(Br)cc1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159864329 473067532 /nfs/dbraw/zinc/06/75/32/473067532.db2.gz MBYIXRSGNALIHC-ZDUSSCGKSA-N 1 0 328.254 2.641 20 70 EFIDRO C[C@@H](CNC(=O)NCCOc1ccccc1Cl)[N@H+](C)C1CC1 ZINC000159862372 473067564 /nfs/dbraw/zinc/06/75/64/473067564.db2.gz UZKKONSKRPVSBA-LBPRGKRZSA-N 1 0 325.840 2.501 20 70 EFIDRO CC[C@@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000159871419 473068657 /nfs/dbraw/zinc/06/86/57/473068657.db2.gz MSCRMZKVLPLEHG-FCEWJHQRSA-N 1 0 345.487 2.642 20 70 EFIDRO Cc1cnccc1CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000159883888 473068698 /nfs/dbraw/zinc/06/86/98/473068698.db2.gz GFIBMLMQFLCQNE-BEFAXECRSA-N 1 0 332.492 2.742 20 70 EFIDRO CC[NH+](CC)C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159901819 473070117 /nfs/dbraw/zinc/07/01/17/473070117.db2.gz VMFYKSRNKDADQY-SFHVURJKSA-N 1 0 337.552 2.935 20 70 EFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc(-n2ccnn2)cc1 ZINC000159933024 473073312 /nfs/dbraw/zinc/07/33/12/473073312.db2.gz QMOWTIMMQYFBAL-CVEARBPZSA-N 1 0 341.459 2.709 20 70 EFIDRO Cc1cccc(CCC(=O)N(C)CC(C)(C)CN2CCOCC2)c1 ZINC000159941963 473074758 /nfs/dbraw/zinc/07/47/58/473074758.db2.gz ZFRAGBOGLYEGHX-UHFFFAOYSA-N 1 0 332.488 2.744 20 70 EFIDRO Cn1cc(C[C@@H]2CC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)cn1 ZINC000159959741 473075846 /nfs/dbraw/zinc/07/58/46/473075846.db2.gz MUTARVGVJPQRHB-KRWDZBQOSA-N 1 0 346.519 2.569 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000159978255 473076895 /nfs/dbraw/zinc/07/68/95/473076895.db2.gz HQLMYTHEDJGGAU-WMZOPIPTSA-N 1 0 345.487 2.644 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)NCC2(O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000159978546 473076996 /nfs/dbraw/zinc/07/69/96/473076996.db2.gz HQLMYTHEDJGGAU-FUHWJXTLSA-N 1 0 345.487 2.644 20 70 EFIDRO CC(C)c1cc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)on1 ZINC000159997363 473078049 /nfs/dbraw/zinc/07/80/49/473078049.db2.gz NIVHICVEFGERPD-HNNXBMFYSA-N 1 0 334.464 2.958 20 70 EFIDRO CCC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000159998467 473079390 /nfs/dbraw/zinc/07/93/90/473079390.db2.gz IVIJLEMSWKTDRC-CYBMUJFWSA-N 1 0 326.322 2.957 20 70 EFIDRO CCCNC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160003073 473080420 /nfs/dbraw/zinc/08/04/20/473080420.db2.gz XVZPMIJKKVGDRZ-MRXNPFEDSA-N 1 0 332.492 2.535 20 70 EFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCO[C@@H](c3ccco3)C2)CC1 ZINC000160099742 473086869 /nfs/dbraw/zinc/08/68/69/473086869.db2.gz RJAAIHQKJKGEQG-QGZVFWFLSA-N 1 0 334.460 2.938 20 70 EFIDRO CCCn1c(C)nnc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160092349 473087168 /nfs/dbraw/zinc/08/71/68/473087168.db2.gz XVHKENMYUWEMNT-IBGZPJMESA-N 1 0 341.503 2.950 20 70 EFIDRO C[N@H+](CCC(=O)OC(C)(C)C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160160686 473093056 /nfs/dbraw/zinc/09/30/56/473093056.db2.gz SEWBVFLZLZGRRX-UHFFFAOYSA-N 1 0 340.508 2.935 20 70 EFIDRO CC[C@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[NH+](C)C ZINC000160178802 473093286 /nfs/dbraw/zinc/09/32/86/473093286.db2.gz LOBUKQKDVLMGHQ-MRXNPFEDSA-N 1 0 347.846 2.829 20 70 EFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160189743 473095112 /nfs/dbraw/zinc/09/51/12/473095112.db2.gz CHKUVBSQMWPMEF-LRDDRELGSA-N 1 0 337.489 2.735 20 70 EFIDRO CCC[C@H]([NH2+][C@@H](COC)C1CC1)C(=O)N1CCc2sccc2C1 ZINC000160213494 473096751 /nfs/dbraw/zinc/09/67/51/473096751.db2.gz YHQXMVPZUYWHRQ-HOTGVXAUSA-N 1 0 336.501 2.816 20 70 EFIDRO CC[C@H](COC)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000160199472 473097090 /nfs/dbraw/zinc/09/70/90/473097090.db2.gz JUTPKXQUNRRVKD-DOTOQJQBSA-N 1 0 333.476 2.936 20 70 EFIDRO C[NH+]1CCC(NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000160244572 473100988 /nfs/dbraw/zinc/10/09/88/473100988.db2.gz JANZGNAQPCRYMX-UHFFFAOYSA-N 1 0 347.459 2.787 20 70 EFIDRO CC[N@H+](CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C(C)C ZINC000160260421 473101564 /nfs/dbraw/zinc/10/15/64/473101564.db2.gz HZNAHLLZZBHAFA-QGZVFWFLSA-N 1 0 335.448 2.706 20 70 EFIDRO C[C@H](NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cnccn1 ZINC000160315749 473106343 /nfs/dbraw/zinc/10/63/43/473106343.db2.gz HBBGLPGNQZZYIF-ZACQAIPSSA-N 1 0 340.471 2.937 20 70 EFIDRO C[C@H](NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnccn1 ZINC000160315470 473107457 /nfs/dbraw/zinc/10/74/57/473107457.db2.gz HBBGLPGNQZZYIF-BBWFWOEESA-N 1 0 340.471 2.937 20 70 EFIDRO CCN(CC)c1nc2sc(C(=O)N3CCC[C@H]3C[NH3+])cc2s1 ZINC000160321478 473108430 /nfs/dbraw/zinc/10/84/30/473108430.db2.gz FNXWOSIZKVGWFX-JTQLQIEISA-N 1 0 338.502 2.767 20 70 EFIDRO CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)[C@@H]1CCOC1 ZINC000160326086 473108586 /nfs/dbraw/zinc/10/85/86/473108586.db2.gz AAQJAYYLYMGCEQ-RTWAWAEBSA-N 1 0 345.531 2.729 20 70 EFIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000160346535 473109349 /nfs/dbraw/zinc/10/93/49/473109349.db2.gz MCMZOLZPXMCEGV-ULQDDVLXSA-N 1 0 339.524 2.809 20 70 EFIDRO Cc1ccc(C)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160379824 473113907 /nfs/dbraw/zinc/11/39/07/473113907.db2.gz HXAFYKZJUXNXBD-RBUKOAKNSA-N 1 0 330.472 2.801 20 70 EFIDRO O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000160383458 473114459 /nfs/dbraw/zinc/11/44/59/473114459.db2.gz NCJACRRBGCFBKV-RBUKOAKNSA-N 1 0 342.487 2.878 20 70 EFIDRO Cc1ccc(C)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160379632 473114490 /nfs/dbraw/zinc/11/44/90/473114490.db2.gz HXAFYKZJUXNXBD-OALUTQOASA-N 1 0 330.472 2.801 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2[nH]ccc2c1 ZINC000160393647 473116915 /nfs/dbraw/zinc/11/69/15/473116915.db2.gz WZKUGPZCVAPAJR-RBUKOAKNSA-N 1 0 341.455 2.666 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000160391624 473117079 /nfs/dbraw/zinc/11/70/79/473117079.db2.gz ZFVVCTCSSJNVJU-GOSISDBHSA-N 1 0 345.487 2.754 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2)n1 ZINC000160409471 473120096 /nfs/dbraw/zinc/12/00/96/473120096.db2.gz XGGUTDWRJKKPQR-QGZVFWFLSA-N 1 0 326.444 2.723 20 70 EFIDRO CC(C)Oc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cn1 ZINC000160421404 473121474 /nfs/dbraw/zinc/12/14/74/473121474.db2.gz SMCVNWDUKZUPPX-UHFFFAOYSA-N 1 0 348.491 2.885 20 70 EFIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160430150 473123096 /nfs/dbraw/zinc/12/30/96/473123096.db2.gz CYRKUFSCSVKHLK-BZSNNMDCSA-N 1 0 335.492 2.604 20 70 EFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(-n3ccnc3C)cc1)CC2 ZINC000160444768 473126072 /nfs/dbraw/zinc/12/60/72/473126072.db2.gz BZGWIVDVWCRSRR-SUMWQHHRSA-N 1 0 336.443 2.746 20 70 EFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccnc(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000160480020 473131574 /nfs/dbraw/zinc/13/15/74/473131574.db2.gz ZGJFZIAYCLQWQS-OAGGEKHMSA-N 1 0 332.492 2.852 20 70 EFIDRO Cc1cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C2CC2)n1 ZINC000160491667 473132092 /nfs/dbraw/zinc/13/20/92/473132092.db2.gz JPTNLSLSKTVMQI-UXLLHSPISA-N 1 0 330.476 2.740 20 70 EFIDRO CCc1noc2ncc(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)cc12 ZINC000160498313 473134254 /nfs/dbraw/zinc/13/42/54/473134254.db2.gz ROWSCZRORNKGNS-CQSZACIVSA-N 1 0 330.432 2.635 20 70 EFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2nccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC000160495620 473134557 /nfs/dbraw/zinc/13/45/57/473134557.db2.gz CLACCONJWCENIA-XQQFMLRXSA-N 1 0 344.381 2.573 20 70 EFIDRO O=C(c1cccc(F)c1)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000160527705 473137878 /nfs/dbraw/zinc/13/78/78/473137878.db2.gz UQTRVNFGHGXKLJ-UHFFFAOYSA-N 1 0 347.478 2.850 20 70 EFIDRO Cc1c(C[NH2+][C@H]2CCOC(C)(C)C2)c(=O)n(-c2ccccc2)n1C ZINC000160539720 473139188 /nfs/dbraw/zinc/13/91/88/473139188.db2.gz JBMFCZBJKDZWNR-HNNXBMFYSA-N 1 0 329.444 2.532 20 70 EFIDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cn1 ZINC000160569100 473143083 /nfs/dbraw/zinc/14/30/83/473143083.db2.gz KMWREPLESMDSTJ-INIZCTEOSA-N 1 0 328.460 2.586 20 70 EFIDRO COc1ccc(Br)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000160570280 473143410 /nfs/dbraw/zinc/14/34/10/473143410.db2.gz LMNNTJGZMCFMDO-UHFFFAOYSA-N 1 0 341.249 2.673 20 70 EFIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160568445 473144047 /nfs/dbraw/zinc/14/40/47/473144047.db2.gz JGIJZEWYWLSIKU-UNEWFSDZSA-N 1 0 340.489 2.650 20 70 EFIDRO CC(C)S(=O)(=O)CCCN(C)CCOc1cccc(Cl)c1 ZINC000160590873 473147493 /nfs/dbraw/zinc/14/74/93/473147493.db2.gz KDJKSNSPZWEABR-UHFFFAOYSA-N 1 0 333.881 2.864 20 70 EFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000160603432 473148711 /nfs/dbraw/zinc/14/87/11/473148711.db2.gz ROFQQVZMPIYRSY-SJLPKXTDSA-N 1 0 349.475 2.619 20 70 EFIDRO CCOc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160645242 473156009 /nfs/dbraw/zinc/15/60/09/473156009.db2.gz ZUBOQPRPJXFJRP-MOPGFXCFSA-N 1 0 346.471 2.583 20 70 EFIDRO C[N@@H+]1CC[C@H](CNC(=O)CN(Cc2ccccc2)c2ccccc2)C1 ZINC000160655332 473156079 /nfs/dbraw/zinc/15/60/79/473156079.db2.gz DTEMSVWEQGLLJA-LJQANCHMSA-N 1 0 337.467 2.761 20 70 EFIDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000160647711 473156943 /nfs/dbraw/zinc/15/69/43/473156943.db2.gz WBTPVPRPRAUCSH-SFHLNBCPSA-N 1 0 347.499 2.979 20 70 EFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000160670713 473159127 /nfs/dbraw/zinc/15/91/27/473159127.db2.gz IELMBNZSZALUJI-GASCZTMLSA-N 1 0 341.459 2.570 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000160691859 473161801 /nfs/dbraw/zinc/16/18/01/473161801.db2.gz UJZJWATXQGIIOI-GFCCVEGCSA-N 1 0 341.249 2.624 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000160692006 473161885 /nfs/dbraw/zinc/16/18/85/473161885.db2.gz UJZJWATXQGIIOI-LBPRGKRZSA-N 1 0 341.249 2.624 20 70 EFIDRO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000160712518 473164764 /nfs/dbraw/zinc/16/47/64/473164764.db2.gz ORFKZQWVUWAWAB-DLBZAZTESA-N 1 0 337.508 2.848 20 70 EFIDRO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160717169 473165496 /nfs/dbraw/zinc/16/54/96/473165496.db2.gz PNUGILFZNIESOR-CEXWTWQISA-N 1 0 343.471 2.786 20 70 EFIDRO Cc1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160720221 473166191 /nfs/dbraw/zinc/16/61/91/473166191.db2.gz MPQPLHFFNKYSHP-PMACEKPBSA-N 1 0 344.499 2.812 20 70 EFIDRO CCC(CC)c1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)on1 ZINC000160733520 473166677 /nfs/dbraw/zinc/16/66/77/473166677.db2.gz HPCAQGZGWNWEFI-UHFFFAOYSA-N 1 0 349.475 2.763 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000160732443 473166774 /nfs/dbraw/zinc/16/67/74/473166774.db2.gz FYTXDNNKRURTHM-MFKMUULPSA-N 1 0 341.249 2.657 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000160732586 473167321 /nfs/dbraw/zinc/16/73/21/473167321.db2.gz FYTXDNNKRURTHM-GWCFXTLKSA-N 1 0 341.249 2.657 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000160729374 473167431 /nfs/dbraw/zinc/16/74/31/473167431.db2.gz ANQDUVVIOXUXJK-ZWNOBZJWSA-N 1 0 341.249 2.800 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000160729244 473167696 /nfs/dbraw/zinc/16/76/96/473167696.db2.gz ANQDUVVIOXUXJK-GXFFZTMASA-N 1 0 341.249 2.800 20 70 EFIDRO CCCOc1ccc(/C=C/C(=O)N2CC[C@@H]([NH2+]C)C2)cc1OCC ZINC000160743633 473169959 /nfs/dbraw/zinc/16/99/59/473169959.db2.gz HVDLSBBNBCFZMH-MNDMWVCDSA-N 1 0 332.444 2.708 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160750532 473170618 /nfs/dbraw/zinc/17/06/18/473170618.db2.gz ZOQXJESAEQVOHG-QZTJIDSGSA-N 1 0 333.476 2.888 20 70 EFIDRO CCCC[NH+]1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160748090 473171000 /nfs/dbraw/zinc/17/10/00/473171000.db2.gz RNNQVXFDBCVTNH-UHFFFAOYSA-N 1 0 347.385 2.831 20 70 EFIDRO CCS[C@@H]1CCCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160747619 473171051 /nfs/dbraw/zinc/17/10/51/473171051.db2.gz WYBNLPTWSYXLOE-JKSUJKDBSA-N 1 0 325.522 2.788 20 70 EFIDRO COc1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1O ZINC000160786537 473174610 /nfs/dbraw/zinc/17/46/10/473174610.db2.gz MQLOMAJKGZQNKU-OAHLLOKOSA-N 1 0 347.459 2.559 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000160782634 473174759 /nfs/dbraw/zinc/17/47/59/473174759.db2.gz LXVIMFGXJPEWDV-CABCVRRESA-N 1 0 329.469 2.663 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000160782358 473175059 /nfs/dbraw/zinc/17/50/59/473175059.db2.gz LXVIMFGXJPEWDV-LSDHHAIUSA-N 1 0 329.469 2.663 20 70 EFIDRO CC(C)CSCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160801026 473176358 /nfs/dbraw/zinc/17/63/58/473176358.db2.gz OTBKGPMRCYIDDD-MRXNPFEDSA-N 1 0 328.522 2.525 20 70 EFIDRO O=C(NCCCn1ccnc1)NCC1(c2cccc(Cl)c2)CC1 ZINC000160802584 473176516 /nfs/dbraw/zinc/17/65/16/473176516.db2.gz YMYXOPUDZARMAR-UHFFFAOYSA-N 1 0 332.835 2.958 20 70 EFIDRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160817932 473178128 /nfs/dbraw/zinc/17/81/28/473178128.db2.gz XDQRAICTHVZVJG-ZWKOTPCHSA-N 1 0 345.487 2.949 20 70 EFIDRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160818070 473178451 /nfs/dbraw/zinc/17/84/51/473178451.db2.gz XDQRAICTHVZVJG-ROUUACIJSA-N 1 0 345.487 2.949 20 70 EFIDRO CC(C)(CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160818622 473178901 /nfs/dbraw/zinc/17/89/01/473178901.db2.gz AMIQVLGPDKSJDB-GOSISDBHSA-N 1 0 332.488 2.707 20 70 EFIDRO CC(=O)N1CCCc2cc(NC(=O)N3CC[NH+](C(C)C)CC3)ccc21 ZINC000160829228 473179463 /nfs/dbraw/zinc/17/94/63/473179463.db2.gz HGQOKZBBCJQYKO-UHFFFAOYSA-N 1 0 344.459 2.544 20 70 EFIDRO COc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cc1F ZINC000160829224 473180205 /nfs/dbraw/zinc/18/02/05/473180205.db2.gz UCMHWUAHDFNQGR-UHFFFAOYSA-N 1 0 337.439 2.850 20 70 EFIDRO O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000160851697 473183941 /nfs/dbraw/zinc/18/39/41/473183941.db2.gz UKMYYRBREXZOEI-FYSMJZIKSA-N 1 0 342.464 2.933 20 70 EFIDRO CCCC(O)(CCC)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160857265 473184014 /nfs/dbraw/zinc/18/40/14/473184014.db2.gz IVFUVNSXZHJIJK-HNNXBMFYSA-N 1 0 325.497 2.634 20 70 EFIDRO COC(=O)c1csc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000160866498 473184657 /nfs/dbraw/zinc/18/46/57/473184657.db2.gz VIDRXYVMHXIUCC-SNVBAGLBSA-N 1 0 327.450 2.633 20 70 EFIDRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[NH2+]CC1 ZINC000160870420 473185871 /nfs/dbraw/zinc/18/58/71/473185871.db2.gz WGKFNQIJSOCBLN-AWEZNQCLSA-N 1 0 339.277 2.840 20 70 EFIDRO O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[NH2+]CC1 ZINC000160869230 473186035 /nfs/dbraw/zinc/18/60/35/473186035.db2.gz SOICEGKCJLIYSK-UHFFFAOYSA-N 1 0 338.455 2.712 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccccc2Br)C1 ZINC000160889599 473186742 /nfs/dbraw/zinc/18/67/42/473186742.db2.gz QFFTWJXXBJBXEV-OLZOCXBDSA-N 1 0 325.250 2.768 20 70 EFIDRO COc1ccc(CCN(CC(C)C)C(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000160882947 473186765 /nfs/dbraw/zinc/18/67/65/473186765.db2.gz ORSQKFXQTBBTQT-QGZVFWFLSA-N 1 0 348.487 2.731 20 70 EFIDRO COC(=O)c1csc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000160879343 473187508 /nfs/dbraw/zinc/18/75/08/473187508.db2.gz UACJKJAOQNKYNJ-ZDUSSCGKSA-N 1 0 339.461 2.873 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)C1 ZINC000160907798 473189602 /nfs/dbraw/zinc/18/96/02/473189602.db2.gz XTDYVPRBFQRKQZ-LSDHHAIUSA-N 1 0 332.835 2.585 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000160909446 473190231 /nfs/dbraw/zinc/19/02/31/473190231.db2.gz ZBIVLOSNAHAWTR-HZPDHXFCSA-N 1 0 334.464 2.541 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CO)c1ccccc1 ZINC000160915466 473190262 /nfs/dbraw/zinc/19/02/62/473190262.db2.gz SWRLQHOKVQUOTM-MSOLQXFVSA-N 1 0 333.476 2.530 20 70 EFIDRO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160929043 473191642 /nfs/dbraw/zinc/19/16/42/473191642.db2.gz LUXQZFWMGLYBRJ-WCFLWFBJSA-N 1 0 341.249 2.603 20 70 EFIDRO Cc1nccn1CCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160931771 473192452 /nfs/dbraw/zinc/19/24/52/473192452.db2.gz RAVZFKPQKYHERV-UHFFFAOYSA-N 1 0 334.508 2.798 20 70 EFIDRO C[C@H](SCC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1nc2ccccc2[nH]1 ZINC000160937941 473192789 /nfs/dbraw/zinc/19/27/89/473192789.db2.gz ZHSNEVVGWCDKJP-AVGNSLFASA-N 1 0 332.473 2.743 20 70 EFIDRO Cc1c(C(=O)NCC[N@H+](C)Cc2ccccc2)cnn1CC(C)C ZINC000160937663 473192847 /nfs/dbraw/zinc/19/28/47/473192847.db2.gz XYESMANPKJNMFF-UHFFFAOYSA-N 1 0 328.460 2.709 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(Cl)c1F)c1cccs1 ZINC000160977282 473195599 /nfs/dbraw/zinc/19/55/99/473195599.db2.gz RLQRHNGWYMWRCQ-SNVBAGLBSA-N 1 0 327.812 2.968 20 70 EFIDRO CC(C)COc1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000160988201 473196431 /nfs/dbraw/zinc/19/64/31/473196431.db2.gz ODNMAQSDOAVHDZ-LJQANCHMSA-N 1 0 346.471 2.545 20 70 EFIDRO Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)cn1 ZINC000160979613 473196609 /nfs/dbraw/zinc/19/66/09/473196609.db2.gz PTHJVQHAZNSGJJ-ROUUACIJSA-N 1 0 339.439 2.969 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000160997173 473197443 /nfs/dbraw/zinc/19/74/43/473197443.db2.gz ONMNLKAIAQHFCM-HUUCEWRRSA-N 1 0 347.459 2.802 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000160997480 473197626 /nfs/dbraw/zinc/19/76/26/473197626.db2.gz KHNNLRVYIDAWEY-OAHLLOKOSA-N 1 0 336.863 2.739 20 70 EFIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(F)cc1F ZINC000160996389 473197709 /nfs/dbraw/zinc/19/77/09/473197709.db2.gz OOXWHOSLABKPBQ-NHYWBVRUSA-N 1 0 341.402 2.876 20 70 EFIDRO CC[C@@H](C)OCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000161004898 473198165 /nfs/dbraw/zinc/19/81/65/473198165.db2.gz YGXFVAVOPMMXOI-MRXNPFEDSA-N 1 0 345.487 2.972 20 70 EFIDRO CC[C@H](C)OCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000161005021 473198442 /nfs/dbraw/zinc/19/84/42/473198442.db2.gz YGXFVAVOPMMXOI-INIZCTEOSA-N 1 0 345.487 2.972 20 70 EFIDRO CC(C)[NH+](CCSCC(=O)N1CC(=O)Nc2ccccc21)C(C)C ZINC000161003007 473198633 /nfs/dbraw/zinc/19/86/33/473198633.db2.gz SMZKMDNWZGARKY-UHFFFAOYSA-N 1 0 349.500 2.824 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)C1 ZINC000161049857 473201781 /nfs/dbraw/zinc/20/17/81/473201781.db2.gz GJEZAQVAFQAXMC-GPQLOAJWSA-N 1 0 349.519 2.628 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000161051551 473202617 /nfs/dbraw/zinc/20/26/17/473202617.db2.gz BAPJUFRHWZLMFV-UHFFFAOYSA-N 1 0 344.503 2.780 20 70 EFIDRO CCc1ccc([C@H](CNC(=O)NC[C@@H](O)C(CC)CC)[NH+](C)C)cc1 ZINC000217148340 474142604 /nfs/dbraw/zinc/14/26/04/474142604.db2.gz HJIDLRSKFQEJGX-RBUKOAKNSA-N 1 0 349.519 2.948 20 70 EFIDRO COc1cc(CN(C)C(=O)C[C@@H]2CCC[NH2+]2)c(SC)cc1OC ZINC000160676313 533774310 /nfs/dbraw/zinc/77/43/10/533774310.db2.gz VJZLDQGTQNZEPR-ZDUSSCGKSA-N 1 0 338.473 2.526 20 70 EFIDRO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159811372 533927144 /nfs/dbraw/zinc/92/71/44/533927144.db2.gz WCDBPOPLQHFTAH-DOMZBBRYSA-N 1 0 340.851 2.688 20 70 EFIDRO COc1ccccc1CC[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000159860398 534034460 /nfs/dbraw/zinc/03/44/60/534034460.db2.gz RYDIGLSOCFBYEN-AWEZNQCLSA-N 1 0 344.377 2.723 20 70 EFIDRO COC(=O)c1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)o1 ZINC000159960042 534041383 /nfs/dbraw/zinc/04/13/83/534041383.db2.gz CQNKARNAWXDKNU-UHFFFAOYSA-N 1 0 342.395 2.957 20 70 EFIDRO C[C@@H](CNC(=O)c1cccc(NC(=O)N(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000159875758 534042869 /nfs/dbraw/zinc/04/28/69/534042869.db2.gz LIEQDPKXWSPKTF-GJZGRUSLSA-N 1 0 346.475 2.630 20 70 EFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000160083349 534090470 /nfs/dbraw/zinc/09/04/70/534090470.db2.gz LPVIENOFVFHKRS-SCLBCKFNSA-N 1 0 348.468 2.971 20 70 EFIDRO CC(=O)c1ccc(SCC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000160278443 518411447 /nfs/dbraw/zinc/41/14/47/518411447.db2.gz FWNRFBFGKVUWLA-ZDUSSCGKSA-N 1 0 338.448 2.531 20 70 EFIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(n3cccn3)CC2)CC1 ZINC000159574657 518561513 /nfs/dbraw/zinc/56/15/13/518561513.db2.gz MSRWMHFAGMSMMR-UHFFFAOYSA-N 1 0 332.492 2.805 20 70 EFIDRO O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000159513802 534429483 /nfs/dbraw/zinc/42/94/83/534429483.db2.gz NHTQZNKFMFZBSI-LBPRGKRZSA-N 1 0 336.798 2.662 20 70 EFIDRO NC(=O)c1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000159443933 534500386 /nfs/dbraw/zinc/50/03/86/534500386.db2.gz MZBKKHQDDNZFBV-CQSZACIVSA-N 1 0 339.395 2.516 20 70 EFIDRO [NH3+]C1(CNC(=O)Cc2ccc(Br)s2)CCCCC1 ZINC000159763961 534537331 /nfs/dbraw/zinc/53/73/31/534537331.db2.gz DEWONJDPDINXLF-UHFFFAOYSA-N 1 0 331.279 2.831 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(SC(F)F)cc1 ZINC000160333726 534537419 /nfs/dbraw/zinc/53/74/19/534537419.db2.gz ORCOBUHCHHUQAY-CYBMUJFWSA-N 1 0 344.427 2.578 20 70 EFIDRO CCOCCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000159386468 521706063 /nfs/dbraw/zinc/70/60/63/521706063.db2.gz JKKAJQADWUFYLF-UHFFFAOYSA-N 1 0 325.840 2.812 20 70 EFIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000159471679 534592157 /nfs/dbraw/zinc/59/21/57/534592157.db2.gz GHBYEIFIRBLLCP-DLBZAZTESA-N 1 0 344.480 2.917 20 70 EFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1 ZINC000159637426 534705559 /nfs/dbraw/zinc/70/55/59/534705559.db2.gz KYANIAHCLCOCBC-QFBILLFUSA-N 1 0 330.472 2.891 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160635903 524051499 /nfs/dbraw/zinc/05/14/99/524051499.db2.gz FSSPNVUYRAMALD-ZWKOTPCHSA-N 1 0 337.508 2.707 20 70 EFIDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1F ZINC000160124768 525394985 /nfs/dbraw/zinc/39/49/85/525394985.db2.gz PHNQZSGIVBUZCE-OAHLLOKOSA-N 1 0 340.464 2.773 20 70 EFIDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000159655328 526613555 /nfs/dbraw/zinc/61/35/55/526613555.db2.gz RLWNVARVDMIPNV-NSHDSACASA-N 1 0 333.229 2.942 20 70 EFIDRO CC(=O)NC1CCC([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000161484580 526702712 /nfs/dbraw/zinc/70/27/12/526702712.db2.gz TZOBHVIDTUSOGY-ABHNRTSZSA-N 1 0 333.451 2.831 20 70 EFIDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H](O)c1ccccc1 ZINC000160097829 527529805 /nfs/dbraw/zinc/52/98/05/527529805.db2.gz JCOIANLHGSJARK-IBGZPJMESA-N 1 0 342.414 2.640 20 70 EFIDRO CC(C)CC(=O)N[C@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159496551 527667469 /nfs/dbraw/zinc/66/74/69/527667469.db2.gz LIORBZUQXWRFPC-SFHVURJKSA-N 1 0 345.487 2.668 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCO)Cc1ccccc1 ZINC000160938392 527964203 /nfs/dbraw/zinc/96/42/03/527964203.db2.gz VRHMJNYBGCYVPC-LJQANCHMSA-N 1 0 347.503 2.701 20 70 EFIDRO CC(C)c1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000160150659 528125326 /nfs/dbraw/zinc/12/53/26/528125326.db2.gz WGNUTNWQKXXLDU-UHFFFAOYSA-N 1 0 336.501 2.963 20 70 EFIDRO CC(C)Oc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cn1 ZINC000160043701 528160774 /nfs/dbraw/zinc/16/07/74/528160774.db2.gz FILNUCLNNDPKGC-UHFFFAOYSA-N 1 0 331.382 2.985 20 70 EFIDRO CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000159964406 528182787 /nfs/dbraw/zinc/18/27/87/528182787.db2.gz NAFZHCMBXYWJFA-FUHWJXTLSA-N 1 0 348.487 2.540 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCCO1)c1cccc(OC)c1 ZINC000160332864 528243045 /nfs/dbraw/zinc/24/30/45/528243045.db2.gz ZROWYWRDKVGKDI-ZWKOTPCHSA-N 1 0 334.460 2.763 20 70 EFIDRO CC1CC[NH+](CCNC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160242984 528245871 /nfs/dbraw/zinc/24/58/71/528245871.db2.gz ODOBQFABRLLYIN-SFHVURJKSA-N 1 0 347.459 2.708 20 70 EFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000160202188 528268238 /nfs/dbraw/zinc/26/82/38/528268238.db2.gz ZWHGVCIAAZOGGJ-HNNXBMFYSA-N 1 0 349.438 2.868 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(NC(C)=O)c(SC)c2)CC1 ZINC000161023376 528288462 /nfs/dbraw/zinc/28/84/62/528288462.db2.gz XRGMPMNAULLEOU-UHFFFAOYSA-N 1 0 349.500 2.829 20 70 EFIDRO CC(C)C[C@H](CO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159496796 528542725 /nfs/dbraw/zinc/54/27/25/528542725.db2.gz LRJRVCAIQIPPDC-GOSISDBHSA-N 1 0 332.488 2.812 20 70 EFIDRO CCCc1cc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)n2ncnc2n1 ZINC000161300077 528611212 /nfs/dbraw/zinc/61/12/12/528611212.db2.gz AWHQCLRZVSDIMP-HNNXBMFYSA-N 1 0 330.480 2.857 20 70 EFIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@](C)(O)C1 ZINC000160205599 528836658 /nfs/dbraw/zinc/83/66/58/528836658.db2.gz CFYIXBCMQIXQOA-IBGZPJMESA-N 1 0 333.476 2.583 20 70 EFIDRO CC(C)[C@H](C(=O)NCc1ccc(COC2CCOCC2)cc1)[NH+](C)C ZINC000161306685 528921900 /nfs/dbraw/zinc/92/19/00/528921900.db2.gz VIUQBQAMLALNSD-LJQANCHMSA-N 1 0 348.487 2.585 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2c(C)[nH]c3ccccc32)CC1 ZINC000159804650 529025659 /nfs/dbraw/zinc/02/56/59/529025659.db2.gz TZOAYFAGDDBDIH-UHFFFAOYSA-N 1 0 328.460 2.756 20 70 EFIDRO CCOC[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160905080 529025918 /nfs/dbraw/zinc/02/59/18/529025918.db2.gz OEWPRJCSNOMAOQ-IRXDYDNUSA-N 1 0 325.497 2.565 20 70 EFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159621040 529118094 /nfs/dbraw/zinc/11/80/94/529118094.db2.gz PUJLYULBUHDUQZ-IBGZPJMESA-N 1 0 343.471 2.620 20 70 EFIDRO CC(C)NC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161036422 529139343 /nfs/dbraw/zinc/13/93/43/529139343.db2.gz JEYJKBZBHDVLPR-INIZCTEOSA-N 1 0 327.432 2.860 20 70 EFIDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CC1 ZINC000160367552 529175723 /nfs/dbraw/zinc/17/57/23/529175723.db2.gz YAZAYLWJSQGFER-MSOLQXFVSA-N 1 0 348.487 2.855 20 70 EFIDRO CCSCC[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000159659769 529178775 /nfs/dbraw/zinc/17/87/75/529178775.db2.gz OAPSSYBCQVFAJH-UHFFFAOYSA-N 1 0 331.503 2.544 20 70 EFIDRO CC[C@H](CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000160154106 529304722 /nfs/dbraw/zinc/30/47/22/529304722.db2.gz GKZZIGLXJYQXFM-QZTJIDSGSA-N 1 0 331.504 2.631 20 70 EFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160105724 529344346 /nfs/dbraw/zinc/34/43/46/529344346.db2.gz FYYDXWSBGSTVES-OLZOCXBDSA-N 1 0 330.469 2.610 20 70 EFIDRO O=S(=O)(F)c1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165050505 721979039 /nfs/dbraw/zinc/97/90/39/721979039.db2.gz UBKATGGDARMXRA-CQSZACIVSA-N 1 0 341.452 2.585 20 70 EFIDRO CC[C@H](C)C[N@H+](CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000160567248 529658038 /nfs/dbraw/zinc/65/80/38/529658038.db2.gz GFFAINSTEGTSSR-AWEZNQCLSA-N 1 0 341.459 2.932 20 70 EFIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000160109085 529704064 /nfs/dbraw/zinc/70/40/64/529704064.db2.gz PVUZYEPAUROKCP-MSOLQXFVSA-N 1 0 345.531 2.742 20 70 EFIDRO CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)C(C)(C)[NH3+] ZINC000160137391 529925930 /nfs/dbraw/zinc/92/59/30/529925930.db2.gz MKYSHGTVTKXMLX-UHFFFAOYSA-N 1 0 342.439 2.840 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000161355254 530002249 /nfs/dbraw/zinc/00/22/49/530002249.db2.gz PXQLQHRWAHRKJW-QGZVFWFLSA-N 1 0 345.487 2.814 20 70 EFIDRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000160101321 239040989 /nfs/dbraw/zinc/04/09/89/239040989.db2.gz BWVGWPISKGLZTB-HNNXBMFYSA-N 1 0 326.440 2.898 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000160198062 239043390 /nfs/dbraw/zinc/04/33/90/239043390.db2.gz KGGCMWGTXPWTJQ-CQSZACIVSA-N 1 0 329.425 2.564 20 70 EFIDRO O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCCC2 ZINC000160328212 239047791 /nfs/dbraw/zinc/04/77/91/239047791.db2.gz HCVNTZWBTQIOEC-KDURUIRLSA-N 1 0 340.467 2.881 20 70 EFIDRO C[NH+](C)CC(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000160845037 239055193 /nfs/dbraw/zinc/05/51/93/239055193.db2.gz FBYCSGVCSSDTSZ-UHFFFAOYSA-N 1 0 339.277 2.939 20 70 EFIDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000159516488 532970720 /nfs/dbraw/zinc/97/07/20/532970720.db2.gz ZIUCBYNEMMIUIL-OLZOCXBDSA-N 1 0 338.473 2.906 20 70 EFIDRO COc1ccccc1[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccn1 ZINC000159988849 533017111 /nfs/dbraw/zinc/01/71/11/533017111.db2.gz XIEBVFAOWZXQBJ-IBGZPJMESA-N 1 0 339.439 2.638 20 70 EFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000159394740 296361933 /nfs/dbraw/zinc/36/19/33/296361933.db2.gz VRVBKIQBDWUWPK-MRXNPFEDSA-N 1 0 333.476 2.896 20 70 EFIDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)CCCC1 ZINC000159496136 533227713 /nfs/dbraw/zinc/22/77/13/533227713.db2.gz CFCRHOWSVJOQQI-UHFFFAOYSA-N 1 0 340.370 2.711 20 70 EFIDRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)ccc2c1 ZINC000159566964 533326826 /nfs/dbraw/zinc/32/68/26/533326826.db2.gz KXDUOYMSUDCSJD-CABCVRRESA-N 1 0 344.455 2.508 20 70 EFIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000159432449 533401071 /nfs/dbraw/zinc/40/10/71/533401071.db2.gz DJCFGKVYMSCSHX-BDUNBXCCSA-N 1 0 340.464 2.633 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160126323 533602942 /nfs/dbraw/zinc/60/29/42/533602942.db2.gz OKBVMLWVEDCVSB-SJORKVTESA-N 1 0 336.501 2.667 20 70 EFIDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1OC ZINC000160339575 533613876 /nfs/dbraw/zinc/61/38/76/533613876.db2.gz QWRHDEISDZTBFO-GXTWGEPZSA-N 1 0 330.432 2.578 20 70 EFIDRO CSCC[C@H]([NH3+])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160043416 533646136 /nfs/dbraw/zinc/64/61/36/533646136.db2.gz YISHNIHWTRITML-ZDUSSCGKSA-N 1 0 332.872 2.953 20 70 EFIDRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000159425239 225214883 /nfs/dbraw/zinc/21/48/83/225214883.db2.gz DSIOPXLIXNSLBJ-UHFFFAOYSA-N 1 0 326.396 2.923 20 70 EFIDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(O)c1C ZINC000159458232 225222651 /nfs/dbraw/zinc/22/26/51/225222651.db2.gz JAHXDQSGHPECPM-MSOLQXFVSA-N 1 0 346.471 2.507 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCC(C)(C)CO ZINC000159743733 225269498 /nfs/dbraw/zinc/26/94/98/225269498.db2.gz MKJDWJCMQXQDKL-AEFFLSMTSA-N 1 0 347.503 2.605 20 70 EFIDRO O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H](O)c1ccccc1 ZINC000159800026 225279463 /nfs/dbraw/zinc/27/94/63/225279463.db2.gz UPYOVZADMNSFBO-IBGZPJMESA-N 1 0 339.439 2.812 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(-n2cccn2)c1)C1CCCCC1 ZINC000159830796 225286284 /nfs/dbraw/zinc/28/62/84/225286284.db2.gz KOJXRYIZJNCULN-QGZVFWFLSA-N 1 0 341.459 2.508 20 70 EFIDRO CSc1ccsc1C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159868426 225294714 /nfs/dbraw/zinc/29/47/14/225294714.db2.gz OPSXRVTUSITXIK-UHFFFAOYSA-N 1 0 342.530 2.900 20 70 EFIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC000159939968 225306246 /nfs/dbraw/zinc/30/62/46/225306246.db2.gz RUJPSJZSGHIVBF-INIZCTEOSA-N 1 0 341.459 2.509 20 70 EFIDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000159596915 225246465 /nfs/dbraw/zinc/24/64/65/225246465.db2.gz PNKQTRZJXBIGKG-LLVKDONJSA-N 1 0 334.363 2.576 20 70 EFIDRO C[C@H]1OCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1C ZINC000159629446 225251632 /nfs/dbraw/zinc/25/16/32/225251632.db2.gz SBWPXNWNDQOUDJ-NUJGCVRESA-N 1 0 331.460 2.642 20 70 EFIDRO [NH3+]C1(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CCCCC1 ZINC000159651956 225255484 /nfs/dbraw/zinc/25/54/84/225255484.db2.gz DVCZLPQATMWJOW-UHFFFAOYSA-N 1 0 348.834 2.710 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc(F)cc2nccnc21 ZINC000159660318 225256400 /nfs/dbraw/zinc/25/64/00/225256400.db2.gz HLFNVPFJYMMCDA-UHFFFAOYSA-N 1 0 330.407 2.811 20 70 EFIDRO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000160260467 225372971 /nfs/dbraw/zinc/37/29/71/225372971.db2.gz YPAPASDUZUOGQU-RBUKOAKNSA-N 1 0 344.499 2.915 20 70 EFIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160297837 225382605 /nfs/dbraw/zinc/38/26/05/225382605.db2.gz WULYVJDFYKQOQG-RTBURBONSA-N 1 0 345.487 2.717 20 70 EFIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160297604 225383774 /nfs/dbraw/zinc/38/37/74/225383774.db2.gz WULYVJDFYKQOQG-MOPGFXCFSA-N 1 0 345.487 2.717 20 70 EFIDRO O=C(NCC1(c2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000160051422 225325980 /nfs/dbraw/zinc/32/59/80/225325980.db2.gz ZKBFRIMFAVYPNW-GFCCVEGCSA-N 1 0 337.261 2.597 20 70 EFIDRO O=C(NCC1(c2cccc(Br)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000160050700 225327374 /nfs/dbraw/zinc/32/73/74/225327374.db2.gz PLBIWOKZZBTCSF-CQSZACIVSA-N 1 0 337.261 2.739 20 70 EFIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(-n2cncn2)cc1 ZINC000160119123 225342334 /nfs/dbraw/zinc/34/23/34/225342334.db2.gz LPMVUOAHRUHHEF-GUYCJALGSA-N 1 0 328.441 2.887 20 70 EFIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160163706 225351160 /nfs/dbraw/zinc/35/11/60/225351160.db2.gz WJXCNDDJGBVKPP-OAHLLOKOSA-N 1 0 349.438 2.682 20 70 EFIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCC[C@H]1C[NH3+] ZINC000160163859 225352319 /nfs/dbraw/zinc/35/23/19/225352319.db2.gz WJXCNDDJGBVKPP-HNNXBMFYSA-N 1 0 349.438 2.682 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2cc[nH]c2c1 ZINC000160168410 225353034 /nfs/dbraw/zinc/35/30/34/225353034.db2.gz YOZADQVRXPMNDE-OALUTQOASA-N 1 0 341.455 2.666 20 70 EFIDRO O=S(=O)(c1ccccc1Cl)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160167196 225353809 /nfs/dbraw/zinc/35/38/09/225353809.db2.gz NHKLLHMPGAMSIX-AWEZNQCLSA-N 1 0 342.892 2.979 20 70 EFIDRO Cc1ccc([C@H](CNC(=O)NCCc2ccncc2C)[NH+](C)C)cc1 ZINC000160212652 225362030 /nfs/dbraw/zinc/36/20/30/225362030.db2.gz KYAZJCJOIRYDBK-IBGZPJMESA-N 1 0 340.471 2.843 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nc2ccccc2c(=O)[nH]1 ZINC000160228743 225365037 /nfs/dbraw/zinc/36/50/37/225365037.db2.gz RXVYTKMTGDZPBI-KDOFPFPSSA-N 1 0 334.423 2.856 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000161505677 225641472 /nfs/dbraw/zinc/64/14/72/225641472.db2.gz VJBYJCWPEPVSDS-MOPGFXCFSA-N 1 0 338.407 2.507 20 70 EFIDRO CCCCn1ncc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000159834555 544799785 /nfs/dbraw/zinc/79/97/85/544799785.db2.gz GDBIADLXPQXSPE-UHFFFAOYSA-N 1 0 342.447 2.741 20 70 EFIDRO Cc1nccc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Cl ZINC000159879974 544799961 /nfs/dbraw/zinc/79/99/61/544799961.db2.gz ZYNSKWXTSLMQSL-RYUDHWBXSA-N 1 0 340.855 2.664 20 70 EFIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)cn1 ZINC000160031673 544801826 /nfs/dbraw/zinc/80/18/26/544801826.db2.gz GRPXVCHRANWZEK-CQSZACIVSA-N 1 0 338.415 2.695 20 70 EFIDRO O=C(CCCc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160288520 544804040 /nfs/dbraw/zinc/80/40/40/544804040.db2.gz MICWEAAPUMZFAG-WOJBJXKFSA-N 1 0 344.499 2.893 20 70 EFIDRO Cc1c(Cl)cccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161291133 544810901 /nfs/dbraw/zinc/81/09/01/544810901.db2.gz JBFWPLKVKRJHMX-UHFFFAOYSA-N 1 0 344.846 2.804 20 70 EFIDRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000161305229 544812775 /nfs/dbraw/zinc/81/27/75/544812775.db2.gz FKUUCWFCBNYAGU-GFCCVEGCSA-N 1 0 337.851 2.616 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000160975003 276162182 /nfs/dbraw/zinc/16/21/82/276162182.db2.gz QJXSVCUFNHBMOF-ROUUACIJSA-N 1 0 331.460 2.644 20 70 EFIDRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3C[NH3+])c21 ZINC000160254236 278112191 /nfs/dbraw/zinc/11/21/91/278112191.db2.gz FXQUHRCJIKENEH-LBPRGKRZSA-N 1 0 328.416 2.787 20 70 EFIDRO C[C@H](C[NH2+]C1CCC2(CC1)OCCO2)N1CCc2ccccc2C1 ZINC000161390242 278207710 /nfs/dbraw/zinc/20/77/10/278207710.db2.gz WBHLVXSZKOAATA-MRXNPFEDSA-N 1 0 330.472 2.709 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCCO1)c1cccc(OC)c1 ZINC000160332618 279146926 /nfs/dbraw/zinc/14/69/26/279146926.db2.gz ZROWYWRDKVGKDI-ROUUACIJSA-N 1 0 334.460 2.763 20 70 EFIDRO Cc1cc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C2CC2)n1 ZINC000160491547 301335832 /nfs/dbraw/zinc/33/58/32/301335832.db2.gz JPTNLSLSKTVMQI-HLLBOEOZSA-N 1 0 330.476 2.740 20 70 EFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000159383121 310686661 /nfs/dbraw/zinc/68/66/61/310686661.db2.gz DDJJSQLFNVSLKX-GXTWGEPZSA-N 1 0 332.286 2.811 20 70 EFIDRO CC(C)N(CCc1nccs1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000159519214 310687981 /nfs/dbraw/zinc/68/79/81/310687981.db2.gz DMRXDQDNQWKIFE-HUUCEWRRSA-N 1 0 338.521 2.978 20 70 EFIDRO COc1cccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](C)C2)[NH+](C)C)c1 ZINC000159863143 310692295 /nfs/dbraw/zinc/69/22/95/310692295.db2.gz UBKCJHQCBUSBGZ-DAYGRLMNSA-N 1 0 333.476 2.985 20 70 EFIDRO C[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)(C)C[NH+](C)C ZINC000160443645 310699027 /nfs/dbraw/zinc/69/90/27/310699027.db2.gz VHCNIMVVAGCYMA-JTQLQIEISA-N 1 0 335.374 2.543 20 70 EFIDRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000160521100 310699917 /nfs/dbraw/zinc/69/99/17/310699917.db2.gz OORHXZHGOVPOJG-OALUTQOASA-N 1 0 347.503 2.617 20 70 EFIDRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CCSC1 ZINC000160575527 310700608 /nfs/dbraw/zinc/70/06/08/310700608.db2.gz YXIXEAXYNFLQNR-CKEIUWERSA-N 1 0 344.521 2.622 20 70 EFIDRO CC[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)[NH+](C)C ZINC000160582981 310700801 /nfs/dbraw/zinc/70/08/01/310700801.db2.gz PIUGQCTXMJGIOS-HNNXBMFYSA-N 1 0 343.393 2.694 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000160731271 310702144 /nfs/dbraw/zinc/70/21/44/310702144.db2.gz KOVPRORNOLIJAH-LBPRGKRZSA-N 1 0 341.249 2.801 20 70 EFIDRO COC(=O)c1csc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000161043057 310705429 /nfs/dbraw/zinc/70/54/29/310705429.db2.gz FLFQGICUKDYWHE-UHFFFAOYSA-N 1 0 347.440 2.918 20 70 EFIDRO Cc1noc(Cl)c1CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000161401708 310708729 /nfs/dbraw/zinc/70/87/29/310708729.db2.gz FEBBGSDZEQNSLD-HNNXBMFYSA-N 1 0 335.835 2.906 20 70 EFIDRO C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000161477449 310709512 /nfs/dbraw/zinc/70/95/12/310709512.db2.gz GACRRELSYRWKOR-CRAIPNDOSA-N 1 0 339.439 2.542 20 70 EFIDRO COc1ccc(OCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161488388 310709905 /nfs/dbraw/zinc/70/99/05/310709905.db2.gz VWFJHPRCWAKEQN-OAHLLOKOSA-N 1 0 333.350 2.709 20 70 EFIDRO CCC1(CNC(=O)NC2CC[NH+](CCCOC)CC2)CCCC1 ZINC000161101676 473206981 /nfs/dbraw/zinc/20/69/81/473206981.db2.gz ORTZSLYZPNCTMS-UHFFFAOYSA-N 1 0 325.497 2.757 20 70 EFIDRO [NH3+]CCC1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000161100206 473207236 /nfs/dbraw/zinc/20/72/36/473207236.db2.gz JFJVXBBORVIKEV-UHFFFAOYSA-N 1 0 329.213 2.789 20 70 EFIDRO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000161109830 473207303 /nfs/dbraw/zinc/20/73/03/473207303.db2.gz ATXLJNISVCSRAU-ZWKOTPCHSA-N 1 0 347.503 2.920 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1 ZINC000161105543 473207530 /nfs/dbraw/zinc/20/75/30/473207530.db2.gz JWRUAEWOKJWVNP-UHFFFAOYSA-N 1 0 330.457 2.667 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2c(Cl)n(C)nc2C(C)C)CC1 ZINC000161111393 473208161 /nfs/dbraw/zinc/20/81/61/473208161.db2.gz KGJASACJPXIXCD-UHFFFAOYSA-N 1 0 326.872 2.659 20 70 EFIDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OCc2nccn2C)cc1 ZINC000161125402 473208906 /nfs/dbraw/zinc/20/89/06/473208906.db2.gz KZSJPHXBOBRYRF-UHFFFAOYSA-N 1 0 339.443 2.755 20 70 EFIDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161121531 473209132 /nfs/dbraw/zinc/20/91/32/473209132.db2.gz DCXJTQPGNVODNN-CLCXKQKWSA-N 1 0 337.458 2.859 20 70 EFIDRO COCCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCCC1 ZINC000161125706 473209377 /nfs/dbraw/zinc/20/93/77/473209377.db2.gz AYGWBVSYZACHQG-INIZCTEOSA-N 1 0 337.508 2.899 20 70 EFIDRO C[NH+](C)CC(C)(C)CNC(=O)COc1ccccc1Br ZINC000161140423 473211339 /nfs/dbraw/zinc/21/13/39/473211339.db2.gz ZRFAWBCHWFTQGB-UHFFFAOYSA-N 1 0 343.265 2.532 20 70 EFIDRO COc1cccc(O[C@@H](C)CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000161129138 473210226 /nfs/dbraw/zinc/21/02/26/473210226.db2.gz LJXVPGMHANHMQN-DOXZYTNZSA-N 1 0 342.439 2.915 20 70 EFIDRO Cc1ccc(-n2ccnc2)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000161146900 473212062 /nfs/dbraw/zinc/21/20/62/473212062.db2.gz JKOJKQKSHCWGDP-RDJZCZTQSA-N 1 0 326.444 2.639 20 70 EFIDRO CN(C)C(=O)Nc1ccc(C(=O)NCC(C)(C)[NH+](C)C)c(Cl)c1 ZINC000161170128 473214081 /nfs/dbraw/zinc/21/40/81/473214081.db2.gz SKSVSKQCQVQMJE-UHFFFAOYSA-N 1 0 340.855 2.504 20 70 EFIDRO Fc1ccc(OCCC[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000161196696 473216287 /nfs/dbraw/zinc/21/62/87/473216287.db2.gz QGZZLITVIZGIFU-UHFFFAOYSA-N 1 0 329.419 2.807 20 70 EFIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000161201956 473216941 /nfs/dbraw/zinc/21/69/41/473216941.db2.gz XHIUMZMMHFNSLC-WMLDXEAASA-N 1 0 328.460 2.985 20 70 EFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000161203340 473217528 /nfs/dbraw/zinc/21/75/28/473217528.db2.gz QAVBUVXGCKEJPW-JPMUSVJPSA-N 1 0 344.480 2.780 20 70 EFIDRO C[C@@]1(O)CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000161231155 473218830 /nfs/dbraw/zinc/21/88/30/473218830.db2.gz MPSDXRHEWYVOOH-UYAOXDASSA-N 1 0 345.487 2.598 20 70 EFIDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCn2ccnc2C1 ZINC000161252957 473220471 /nfs/dbraw/zinc/22/04/71/473220471.db2.gz IPMTVYWSXHWXKT-SFHVURJKSA-N 1 0 340.471 2.556 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000161265284 473221573 /nfs/dbraw/zinc/22/15/73/473221573.db2.gz LDNCPKCFOQFNJY-UHFFFAOYSA-N 1 0 335.467 2.625 20 70 EFIDRO C[C@H]([NH3+])C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000161261077 473221633 /nfs/dbraw/zinc/22/16/33/473221633.db2.gz AQEUBYSZOUJAJI-APPDUMDISA-N 1 0 346.814 2.664 20 70 EFIDRO C[N@@H+]1CC[C@H](CNC(=O)CSc2cccc(Br)c2)C1 ZINC000161261642 473221895 /nfs/dbraw/zinc/22/18/95/473221895.db2.gz WGSJSSRXVOFASC-LLVKDONJSA-N 1 0 343.290 2.609 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000161274701 473222578 /nfs/dbraw/zinc/22/25/78/473222578.db2.gz YOLFVWHEDRPUIN-UHFFFAOYSA-N 1 0 332.423 2.701 20 70 EFIDRO Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cnn1CC(C)C ZINC000161278233 473223188 /nfs/dbraw/zinc/22/31/88/473223188.db2.gz DXRHSXZVNQWHSW-KRWDZBQOSA-N 1 0 332.492 2.938 20 70 EFIDRO FC(F)(F)COc1cc(C[NH2+]C2CCC3(CC2)OCCO3)ccn1 ZINC000161283826 473223863 /nfs/dbraw/zinc/22/38/63/473223863.db2.gz WYVYWOFMXOIGSR-UHFFFAOYSA-N 1 0 346.349 2.798 20 70 EFIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000161280638 473224092 /nfs/dbraw/zinc/22/40/92/473224092.db2.gz QZAHNNARIVTACE-LRDDRELGSA-N 1 0 330.407 2.674 20 70 EFIDRO CCCn1nc(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000161322784 473226355 /nfs/dbraw/zinc/22/63/55/473226355.db2.gz NCNYHOXWTNPRKZ-KRWDZBQOSA-N 1 0 328.460 2.943 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000161336205 473227124 /nfs/dbraw/zinc/22/71/24/473227124.db2.gz PXNXDCGFKGGOGI-AWEZNQCLSA-N 1 0 339.439 2.766 20 70 EFIDRO Cn1ncc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C(F)(F)F ZINC000161343317 473228277 /nfs/dbraw/zinc/22/82/77/473228277.db2.gz KDSGOKWLMSITLY-OAHLLOKOSA-N 1 0 338.377 2.928 20 70 EFIDRO CCN(CC1CC[NH+](CC(OC)OC)CC1)C(=O)OC(C)(C)C ZINC000161351467 473229201 /nfs/dbraw/zinc/22/92/01/473229201.db2.gz ZHCLLWKOUKNWAK-UHFFFAOYSA-N 1 0 330.469 2.574 20 70 EFIDRO CC[C@H](CC(=O)NC1CC[NH+](CCOC)CC1)c1ccc(OC)cc1 ZINC000161349830 473229425 /nfs/dbraw/zinc/22/94/25/473229425.db2.gz VETRANGOFBSMLA-MRXNPFEDSA-N 1 0 348.487 2.806 20 70 EFIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000161349264 473229538 /nfs/dbraw/zinc/22/95/38/473229538.db2.gz ICKKVOCCUDQTMF-UHFFFAOYSA-N 1 0 348.462 2.911 20 70 EFIDRO Cc1cnccc1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000161411000 473233414 /nfs/dbraw/zinc/23/34/14/473233414.db2.gz VPBXHZYCQQQGNX-UHFFFAOYSA-N 1 0 332.492 2.888 20 70 EFIDRO O=C(N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCn2ccnc2C1 ZINC000161413351 473233506 /nfs/dbraw/zinc/23/35/06/473233506.db2.gz DIXZZPVLUJRDAP-GOEBONIOSA-N 1 0 338.436 2.808 20 70 EFIDRO O=C(CSCC(F)(F)F)NCc1ccccc1-n1ccnc1 ZINC000161417154 473233579 /nfs/dbraw/zinc/23/35/79/473233579.db2.gz AXXVUUIUORWAGD-UHFFFAOYSA-N 1 0 329.347 2.784 20 70 EFIDRO Cc1noc(C)c1C[C@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000161364274 473230233 /nfs/dbraw/zinc/23/02/33/473230233.db2.gz XKWRHEJVAGMYFE-AWEZNQCLSA-N 1 0 341.455 2.660 20 70 EFIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CCCCCC[NH3+])ccc2NC1=O ZINC000161363887 473230268 /nfs/dbraw/zinc/23/02/68/473230268.db2.gz UGYANGMCCIHGND-CJNGLKHVSA-N 1 0 347.459 2.883 20 70 EFIDRO Fc1ccc(N2CC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161360478 473230542 /nfs/dbraw/zinc/23/05/42/473230542.db2.gz CVKFURWHDPWGLI-HNNXBMFYSA-N 1 0 334.435 2.927 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000161377868 473231216 /nfs/dbraw/zinc/23/12/16/473231216.db2.gz HHONYROKJBWDEW-AOCRQIFASA-N 1 0 349.544 2.997 20 70 EFIDRO CCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)C[C@@H]1COc2ccccc2O1 ZINC000161424508 473234945 /nfs/dbraw/zinc/23/49/45/473234945.db2.gz NNHWLBKGTGMPJI-OAHLLOKOSA-N 1 0 344.411 2.853 20 70 EFIDRO CCOc1c(Cl)cc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000161437812 473235574 /nfs/dbraw/zinc/23/55/74/473235574.db2.gz BPVSVVVSAZTRGT-KRWDZBQOSA-N 1 0 340.851 2.753 20 70 EFIDRO COc1ccc(-c2nc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000161434208 473235752 /nfs/dbraw/zinc/23/57/52/473235752.db2.gz MLSOOCBFAYCDCV-CHWSQXEVSA-N 1 0 331.441 2.818 20 70 EFIDRO C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000161442915 473236080 /nfs/dbraw/zinc/23/60/80/473236080.db2.gz DYHNAUFGOIXWKN-VIFPVBQESA-N 1 0 344.242 2.518 20 70 EFIDRO CC(C)([NH2+]CCCN1C(=O)CNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000161452478 473236111 /nfs/dbraw/zinc/23/61/11/473236111.db2.gz RRIDFPCWXPWTBJ-UHFFFAOYSA-N 1 0 344.242 2.760 20 70 EFIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000161451438 473236235 /nfs/dbraw/zinc/23/62/35/473236235.db2.gz FEYATEIDWZPHJM-OAHLLOKOSA-N 1 0 328.460 2.744 20 70 EFIDRO [NH3+]CCC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000161443050 473236287 /nfs/dbraw/zinc/23/62/87/473236287.db2.gz DDKQLXRVNWANPR-UHFFFAOYSA-N 1 0 344.242 2.519 20 70 EFIDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCCO1 ZINC000161475395 473237638 /nfs/dbraw/zinc/23/76/38/473237638.db2.gz YMDVUGMKXDAHPJ-QGZVFWFLSA-N 1 0 336.863 2.990 20 70 EFIDRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000161469511 473237752 /nfs/dbraw/zinc/23/77/52/473237752.db2.gz BAKSKPLFIFLLHG-ZIAGYGMSSA-N 1 0 335.423 2.810 20 70 EFIDRO C[N@H+](CCCNC(=O)N[C@@H](CCO)C(C)(C)C)Cc1ccccc1 ZINC000161477439 473238743 /nfs/dbraw/zinc/23/87/43/473238743.db2.gz VPYUVXVAROZSNI-KRWDZBQOSA-N 1 0 335.492 2.605 20 70 EFIDRO C[N@H+](CCCNC(=O)N[C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000161491802 473240065 /nfs/dbraw/zinc/24/00/65/473240065.db2.gz KYSMWCNCCFTTET-OAHLLOKOSA-N 1 0 325.497 2.898 20 70 EFIDRO CCc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000161503394 473240488 /nfs/dbraw/zinc/24/04/88/473240488.db2.gz LOWUVBXCJKMGQQ-KGLIPLIRSA-N 1 0 330.407 2.574 20 70 EFIDRO CS[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000161504501 473240556 /nfs/dbraw/zinc/24/05/56/473240556.db2.gz BAQOPUANOOSNOW-GFCCVEGCSA-N 1 0 330.444 2.997 20 70 EFIDRO CS[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000161504889 473240948 /nfs/dbraw/zinc/24/09/48/473240948.db2.gz ZGTKUHXCDMJDDA-LBPRGKRZSA-N 1 0 330.444 2.997 20 70 EFIDRO O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC[NH2+]CC1 ZINC000159368120 473021330 /nfs/dbraw/zinc/02/13/30/473021330.db2.gz ZRZCGJJMCUFBHG-KGLIPLIRSA-N 1 0 327.453 2.778 20 70 EFIDRO CC(C)[NH+](CCCNC(=O)N(C)[C@H]1CCCc2c1cnn2C)C(C)C ZINC000159364938 473022290 /nfs/dbraw/zinc/02/22/90/473022290.db2.gz NYBDGCZDGPXGPT-KRWDZBQOSA-N 1 0 349.523 2.948 20 70 EFIDRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCOCC2CC2)CC1 ZINC000159384834 473022679 /nfs/dbraw/zinc/02/26/79/473022679.db2.gz DRHJEQADRYJCOT-UHFFFAOYSA-N 1 0 337.851 2.812 20 70 EFIDRO CC(C)[C@@H](O)C(C)(C)CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159386517 473023473 /nfs/dbraw/zinc/02/34/73/473023473.db2.gz SEBNRRYMGWBNBO-MRXNPFEDSA-N 1 0 329.529 2.838 20 70 EFIDRO C[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCC[C@@H]1O ZINC000159457721 473029458 /nfs/dbraw/zinc/02/94/58/473029458.db2.gz DTUIOMALOSIVMP-WFASDCNBSA-N 1 0 328.250 2.921 20 70 EFIDRO CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000159452704 473030113 /nfs/dbraw/zinc/03/01/13/473030113.db2.gz URYGVWPEDFEHSE-CYBMUJFWSA-N 1 0 348.871 2.773 20 70 EFIDRO C[N@@H+](Cc1ccc(I)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159501559 473032860 /nfs/dbraw/zinc/03/28/60/473032860.db2.gz FINXVVCCTPORCV-JSGCOSHPSA-N 1 0 345.224 2.884 20 70 EFIDRO CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000159561450 473038234 /nfs/dbraw/zinc/03/82/34/473038234.db2.gz PLNHZMQZMRRMPC-FZMZJTMJSA-N 1 0 330.350 2.603 20 70 EFIDRO CC(C)C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159568252 473040363 /nfs/dbraw/zinc/04/03/63/473040363.db2.gz ZAPYSZSUPMORMB-FHWLQOOXSA-N 1 0 332.488 2.983 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(OC(C)C)cc2)CC1 ZINC000159606712 473044317 /nfs/dbraw/zinc/04/43/17/473044317.db2.gz SRRPIUZQJBYXAK-UHFFFAOYSA-N 1 0 333.476 2.754 20 70 EFIDRO CCOC(=O)CCc1ccc(NC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000159624787 473045356 /nfs/dbraw/zinc/04/53/56/473045356.db2.gz XELSTZNLRYKRJP-UHFFFAOYSA-N 1 0 347.459 2.788 20 70 EFIDRO CCCNC(=O)c1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159629190 473045464 /nfs/dbraw/zinc/04/54/64/473045464.db2.gz ULKUKTQTQHNYPG-UHFFFAOYSA-N 1 0 345.487 2.869 20 70 EFIDRO Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c[nH]c1=O ZINC000159642179 473046502 /nfs/dbraw/zinc/04/65/02/473046502.db2.gz FAXLQZBRBNMSHC-HNNXBMFYSA-N 1 0 343.402 2.673 20 70 EFIDRO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159637324 473047024 /nfs/dbraw/zinc/04/70/24/473047024.db2.gz SYZOGYJKCXIXTM-BBRMVZONSA-N 1 0 331.416 2.608 20 70 EFIDRO CCC[C@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000159633596 473047064 /nfs/dbraw/zinc/04/70/64/473047064.db2.gz WMFDJLVVGFGQTG-IBGZPJMESA-N 1 0 345.487 2.645 20 70 EFIDRO COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1OC ZINC000159640242 473047239 /nfs/dbraw/zinc/04/72/39/473047239.db2.gz AGXQBSBBLJEDQP-RDJZCZTQSA-N 1 0 346.471 2.927 20 70 EFIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000159663398 473049551 /nfs/dbraw/zinc/04/95/51/473049551.db2.gz VGVHTFXUNAOGKH-HZPDHXFCSA-N 1 0 333.480 2.877 20 70 EFIDRO C[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000159664060 473049744 /nfs/dbraw/zinc/04/97/44/473049744.db2.gz GJZDSFDBCDDUQQ-ROUUACIJSA-N 1 0 331.460 2.548 20 70 EFIDRO CCC(CC)(C[NH2+]CC(=O)NC1(c2ccccc2)CCC1)C(=O)OC ZINC000159678301 473050484 /nfs/dbraw/zinc/05/04/84/473050484.db2.gz MODHPNYMSRGWIB-UHFFFAOYSA-N 1 0 346.471 2.751 20 70 EFIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@]1(C)CCCO1 ZINC000159700476 473052438 /nfs/dbraw/zinc/05/24/38/473052438.db2.gz CSUKGINSRFVUNW-LJQANCHMSA-N 1 0 333.476 2.765 20 70 EFIDRO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159717234 473053482 /nfs/dbraw/zinc/05/34/82/473053482.db2.gz HYTOHNWBHYKMDY-RDJZCZTQSA-N 1 0 345.443 2.746 20 70 EFIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000159716269 473053890 /nfs/dbraw/zinc/05/38/90/473053890.db2.gz SOAILRSQKKLUEP-KGLIPLIRSA-N 1 0 337.851 2.597 20 70 EFIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc([C@@H]4CCCO4)n3)CC[C@@H]21 ZINC000159722707 473054629 /nfs/dbraw/zinc/05/46/29/473054629.db2.gz GPATYFJFMBCZAE-SNPRPXQTSA-N 1 0 335.473 2.551 20 70 EFIDRO COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159721733 473055129 /nfs/dbraw/zinc/05/51/29/473055129.db2.gz DKAZEHMTTOZYGY-HKUYNNGSSA-N 1 0 346.471 2.593 20 70 EFIDRO COc1cc(Br)c(CN(C)[C@@H](C[NH3+])C2CC2)cc1OC ZINC000159722874 473055508 /nfs/dbraw/zinc/05/55/08/473055508.db2.gz KKBHGTJSXXWMNK-ZDUSSCGKSA-N 1 0 343.265 2.635 20 70 EFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000159747877 473057603 /nfs/dbraw/zinc/05/76/03/473057603.db2.gz LQLXZDNNBMPFLO-MJBXVCDLSA-N 1 0 336.480 2.815 20 70 EFIDRO CCOCCC1(CNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159754489 473058171 /nfs/dbraw/zinc/05/81/71/473058171.db2.gz BLBNLEKDUSQJCA-IXDOHACOSA-N 1 0 339.524 2.859 20 70 EFIDRO O=C(NCCc1cccs1)C1CC[NH+](CCOCC2CC2)CC1 ZINC000159752370 473058470 /nfs/dbraw/zinc/05/84/70/473058470.db2.gz YPZMLJWNHWZYKS-UHFFFAOYSA-N 1 0 336.501 2.545 20 70 EFIDRO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159777028 473060456 /nfs/dbraw/zinc/06/04/56/473060456.db2.gz VROJOJDRTWLROT-INIZCTEOSA-N 1 0 325.456 2.889 20 70 EFIDRO CCC[C@@H]([NH3+])C(=O)N(CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000159783903 473060897 /nfs/dbraw/zinc/06/08/97/473060897.db2.gz SFGBYKIXVLTIRR-CQSZACIVSA-N 1 0 325.840 2.645 20 70 EFIDRO CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159784063 473061139 /nfs/dbraw/zinc/06/11/39/473061139.db2.gz TWFGIPFWTHCOBL-CYBMUJFWSA-N 1 0 337.851 2.517 20 70 EFIDRO COc1cccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C)C2)[NH+](C)C)c1 ZINC000159862990 473067150 /nfs/dbraw/zinc/06/71/50/473067150.db2.gz UBKCJHQCBUSBGZ-RKVPGOIHSA-N 1 0 333.476 2.985 20 70 EFIDRO COc1cccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C)C2)[NH+](C)C)c1 ZINC000159862740 473067688 /nfs/dbraw/zinc/06/76/88/473067688.db2.gz UBKCJHQCBUSBGZ-VKJFTORMSA-N 1 0 333.476 2.985 20 70 EFIDRO C[C@@H](CNC(=O)CCCc1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](C)C1 ZINC000159873708 473068674 /nfs/dbraw/zinc/06/86/74/473068674.db2.gz ZHTMNHPVQQASFO-KGLIPLIRSA-N 1 0 334.464 2.506 20 70 EFIDRO CC[C@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000159871789 473069128 /nfs/dbraw/zinc/06/91/28/473069128.db2.gz MSCRMZKVLPLEHG-TXPKVOOTSA-N 1 0 345.487 2.642 20 70 EFIDRO CCN(C(=O)N[C@@H](C)CCOC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159894834 473069716 /nfs/dbraw/zinc/06/97/16/473069716.db2.gz VSNORFYJVVOBBT-FUHWJXTLSA-N 1 0 333.476 2.717 20 70 EFIDRO C[C@H](NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159908874 473071155 /nfs/dbraw/zinc/07/11/55/473071155.db2.gz FAVQNVWLASHINF-WFEDQXDTSA-N 1 0 349.519 2.896 20 70 EFIDRO Cc1noc(Cl)c1CC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000159907237 473071421 /nfs/dbraw/zinc/07/14/21/473071421.db2.gz HREUFYSMXWJPKM-GFCCVEGCSA-N 1 0 347.846 2.742 20 70 EFIDRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccsc1 ZINC000159914351 473072203 /nfs/dbraw/zinc/07/22/03/473072203.db2.gz VPOLIQBURJRCRA-GOSISDBHSA-N 1 0 331.485 2.605 20 70 EFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000159999413 473079653 /nfs/dbraw/zinc/07/96/53/473079653.db2.gz GZURGVRPLLQIHR-ZDUSSCGKSA-N 1 0 326.322 2.813 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)NCCOc2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000159999568 473080123 /nfs/dbraw/zinc/08/01/23/473080123.db2.gz WEQVMZZNBJZZLC-STQMWFEESA-N 1 0 337.851 2.643 20 70 EFIDRO C[C@H](SCCN1CCOCC1)c1nc(-c2cccs2)no1 ZINC000160017540 473080236 /nfs/dbraw/zinc/08/02/36/473080236.db2.gz BJQNJDWYWHZLDQ-NSHDSACASA-N 1 0 325.459 2.925 20 70 EFIDRO CO[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000160024027 473081641 /nfs/dbraw/zinc/08/16/41/473081641.db2.gz PINBHNICUFWUGF-RTBURBONSA-N 1 0 345.487 2.826 20 70 EFIDRO CC(C)(C)c1nsc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000160032317 473082009 /nfs/dbraw/zinc/08/20/09/473082009.db2.gz VOVVTCIBHAIBGB-CQSZACIVSA-N 1 0 338.521 2.917 20 70 EFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCO[C@H](c3ccco3)C2)CC1 ZINC000160099626 473087072 /nfs/dbraw/zinc/08/70/72/473087072.db2.gz RJAAIHQKJKGEQG-KRWDZBQOSA-N 1 0 334.460 2.938 20 70 EFIDRO Cc1ccc(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000160119299 473089528 /nfs/dbraw/zinc/08/95/28/473089528.db2.gz QDDZFMPQPUSROG-UHFFFAOYSA-N 1 0 338.499 2.640 20 70 EFIDRO COCCC1(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000160199564 473096798 /nfs/dbraw/zinc/09/67/98/473096798.db2.gz IEKIRHPYYUEGFE-HOTGVXAUSA-N 1 0 325.497 2.613 20 70 EFIDRO CC[C@@H](COC)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000160199340 473097026 /nfs/dbraw/zinc/09/70/26/473097026.db2.gz JUTPKXQUNRRVKD-RDJZCZTQSA-N 1 0 333.476 2.936 20 70 EFIDRO Cc1cccc([C@H]2CCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000160273925 473104205 /nfs/dbraw/zinc/10/42/05/473104205.db2.gz MBRHEYACRPWNRH-ZIAGYGMSSA-N 1 0 327.350 2.690 20 70 EFIDRO CC1CC[NH+]([C@@H](CNC(=O)C[C@@H]2COC(=O)C2)c2ccccc2)CC1 ZINC000160321071 473108212 /nfs/dbraw/zinc/10/82/12/473108212.db2.gz UNWCVTXTUCKETQ-WMZOPIPTSA-N 1 0 344.455 2.529 20 70 EFIDRO CN(Cc1nc(-c2c(F)cccc2F)cs1)CC(C)(CO)CO ZINC000160324707 473108471 /nfs/dbraw/zinc/10/84/71/473108471.db2.gz JUIABZBFIIKSJQ-UHFFFAOYSA-N 1 0 342.411 2.511 20 70 EFIDRO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160322325 473108824 /nfs/dbraw/zinc/10/88/24/473108824.db2.gz BWRPNGVWVWMRLO-SJORKVTESA-N 1 0 325.497 2.707 20 70 EFIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160339040 473110071 /nfs/dbraw/zinc/11/00/71/473110071.db2.gz KLDOEBMDGUSOPC-LBPRGKRZSA-N 1 0 347.385 2.641 20 70 EFIDRO CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](COC)C(C)C)CC1 ZINC000160357806 473111775 /nfs/dbraw/zinc/11/17/75/473111775.db2.gz LVYRUTBKXRBQFC-FQEVSTJZSA-N 1 0 333.520 2.585 20 70 EFIDRO COc1ccc(C(F)(F)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000160382347 473114813 /nfs/dbraw/zinc/11/48/13/473114813.db2.gz PNJUBGQVJMZMGJ-CZUORRHYSA-N 1 0 338.398 2.730 20 70 EFIDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc(OC)c1C ZINC000160385662 473115486 /nfs/dbraw/zinc/11/54/86/473115486.db2.gz QTCLIQKNNYXRJF-MRXNPFEDSA-N 1 0 334.460 2.862 20 70 EFIDRO CCn1cc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cn1 ZINC000160422704 473121659 /nfs/dbraw/zinc/12/16/59/473121659.db2.gz GTTZCBNVTGZLHU-MRXNPFEDSA-N 1 0 328.460 2.586 20 70 EFIDRO Cc1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1Br ZINC000160426623 473123033 /nfs/dbraw/zinc/12/30/33/473123033.db2.gz RPMYGAXCILZROX-UHFFFAOYSA-N 1 0 337.261 2.925 20 70 EFIDRO CN(CCC[NH+]1CCCCC1)Cc1ccccc1N1CCOCC1 ZINC000160436596 473124799 /nfs/dbraw/zinc/12/47/99/473124799.db2.gz SZGPBGFSLZNTAL-UHFFFAOYSA-N 1 0 331.504 2.831 20 70 EFIDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160437275 473124867 /nfs/dbraw/zinc/12/48/67/473124867.db2.gz DHUZTWZEFGMHKY-NSHDSACASA-N 1 0 335.370 2.717 20 70 EFIDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160447785 473125138 /nfs/dbraw/zinc/12/51/38/473125138.db2.gz PIRHFXFTPOKFSP-SCRDCRAPSA-N 1 0 325.840 2.593 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1 ZINC000160438230 473126158 /nfs/dbraw/zinc/12/61/58/473126158.db2.gz DAPZMUIFBYNPLE-QGZVFWFLSA-N 1 0 333.476 2.524 20 70 EFIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000160460030 473128004 /nfs/dbraw/zinc/12/80/04/473128004.db2.gz WHEFHMMDQIODPD-CVEARBPZSA-N 1 0 345.487 2.675 20 70 EFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2cnc3ccccc3n2)C[C@@H](C)O1 ZINC000160475875 473130446 /nfs/dbraw/zinc/13/04/46/473130446.db2.gz YZPFMFVYWHZGRL-OAGGEKHMSA-N 1 0 326.444 2.708 20 70 EFIDRO CC(C)Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C1CC1 ZINC000160487183 473132188 /nfs/dbraw/zinc/13/21/88/473132188.db2.gz GNMVROQPFZIKDO-SJLPKXTDSA-N 1 0 344.503 2.973 20 70 EFIDRO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C(N)=O)CC3)o2)cc1C ZINC000160491133 473133114 /nfs/dbraw/zinc/13/31/14/473133114.db2.gz VRSRJBZZZPVICW-CYBMUJFWSA-N 1 0 328.416 2.612 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1[nH]nc(C(C)C)c1Br ZINC000160504255 473133859 /nfs/dbraw/zinc/13/38/59/473133859.db2.gz QVDYZKQXFFTMNV-UHFFFAOYSA-N 1 0 331.258 2.543 20 70 EFIDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1SC ZINC000160500033 473134367 /nfs/dbraw/zinc/13/43/67/473134367.db2.gz YVCICFJDRSCPLD-BXUZGUMPSA-N 1 0 332.473 2.983 20 70 EFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Br)s1 ZINC000160541608 473138821 /nfs/dbraw/zinc/13/88/21/473138821.db2.gz WFKCJXVFZQBFMV-ZCFIWIBFSA-N 1 0 345.184 2.840 20 70 EFIDRO Cc1c(C[NH2+][C@@H]2CCOC(C)(C)C2)c(=O)n(-c2ccccc2)n1C ZINC000160539614 473139719 /nfs/dbraw/zinc/13/97/19/473139719.db2.gz JBMFCZBJKDZWNR-OAHLLOKOSA-N 1 0 329.444 2.532 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)CCCc1nc(-c2cccs2)no1 ZINC000160549701 473140376 /nfs/dbraw/zinc/14/03/76/473140376.db2.gz PRNGHROXACOOON-UHFFFAOYSA-N 1 0 336.461 2.755 20 70 EFIDRO COc1cc(C)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000160548661 473140939 /nfs/dbraw/zinc/14/09/39/473140939.db2.gz WBISIKGTTYERLJ-OAHLLOKOSA-N 1 0 334.460 2.862 20 70 EFIDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)nnn1-c1ccc(F)cc1 ZINC000160564009 473143494 /nfs/dbraw/zinc/14/34/94/473143494.db2.gz MHETVYMVZCXQBQ-MRRJBJDNSA-N 1 0 332.423 2.917 20 70 EFIDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1nccs1 ZINC000160619194 473152962 /nfs/dbraw/zinc/15/29/62/473152962.db2.gz ZCPLXMOGHWWKBV-UHFFFAOYSA-N 1 0 345.472 2.596 20 70 EFIDRO CC1CC[NH+](CCCCNC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000160622257 473154233 /nfs/dbraw/zinc/15/42/33/473154233.db2.gz XOFJDBYELVJJQH-UHFFFAOYSA-N 1 0 341.459 2.714 20 70 EFIDRO O=C(Nc1cnn(Cc2ccccc2)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160635604 473154720 /nfs/dbraw/zinc/15/47/20/473154720.db2.gz MRCRJMXRVWTWSQ-KRWDZBQOSA-N 1 0 339.443 2.537 20 70 EFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000160640852 473155390 /nfs/dbraw/zinc/15/53/90/473155390.db2.gz WYJRTDHRSCVEJO-KRWDZBQOSA-N 1 0 326.444 2.727 20 70 EFIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000160646352 473156302 /nfs/dbraw/zinc/15/63/02/473156302.db2.gz MBGDQIIIEZMZGO-OAHLLOKOSA-N 1 0 345.487 2.819 20 70 EFIDRO Cc1noc(Cl)c1CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000160661397 473157706 /nfs/dbraw/zinc/15/77/06/473157706.db2.gz SCMLLJHIGOZMIP-AWEZNQCLSA-N 1 0 339.798 2.737 20 70 EFIDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000160656590 473157841 /nfs/dbraw/zinc/15/78/41/473157841.db2.gz LCYSMRCQIOEGFR-CHWSQXEVSA-N 1 0 345.443 2.607 20 70 EFIDRO COC(=O)C1([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCCC1 ZINC000160708055 473164389 /nfs/dbraw/zinc/16/43/89/473164389.db2.gz OIBMXECJUKKBEN-UHFFFAOYSA-N 1 0 338.492 2.689 20 70 EFIDRO CCO[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000160712890 473164966 /nfs/dbraw/zinc/16/49/66/473164966.db2.gz ORFKZQWVUWAWAB-SJORKVTESA-N 1 0 337.508 2.848 20 70 EFIDRO CCCC[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160722955 473165532 /nfs/dbraw/zinc/16/55/32/473165532.db2.gz NUSRPEQDHDWEGF-UHFFFAOYSA-N 1 0 339.461 2.921 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CC3CCCC3)nc(N)c21 ZINC000160730255 473167387 /nfs/dbraw/zinc/16/73/87/473167387.db2.gz QFXKWJWPZXDZMA-UHFFFAOYSA-N 1 0 346.431 2.912 20 70 EFIDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000160746278 473169835 /nfs/dbraw/zinc/16/98/35/473169835.db2.gz UGOYMRQBRVBKFR-QGZVFWFLSA-N 1 0 331.504 2.945 20 70 EFIDRO CC[C@H]1CN(C(=O)c2ccc(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000160742008 473170293 /nfs/dbraw/zinc/17/02/93/473170293.db2.gz KJKRWQPDFSZMMW-GWCFXTLKSA-N 1 0 341.249 2.657 20 70 EFIDRO CCS[C@H]1CCCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160747755 473170603 /nfs/dbraw/zinc/17/06/03/473170603.db2.gz WYBNLPTWSYXLOE-HOTGVXAUSA-N 1 0 325.522 2.788 20 70 EFIDRO CCC1(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCCC1 ZINC000160747677 473170630 /nfs/dbraw/zinc/17/06/30/473170630.db2.gz RJKXKHGIVVFSHI-ZWKOTPCHSA-N 1 0 330.472 2.708 20 70 EFIDRO CC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1ccc(F)cc1F ZINC000160754263 473171085 /nfs/dbraw/zinc/17/10/85/473171085.db2.gz GUKABYHFZXWBIL-HNNXBMFYSA-N 1 0 334.432 2.677 20 70 EFIDRO CC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1ccc(F)cc1F ZINC000160754394 473171545 /nfs/dbraw/zinc/17/15/45/473171545.db2.gz GUKABYHFZXWBIL-OAHLLOKOSA-N 1 0 334.432 2.677 20 70 EFIDRO CCOC(=O)C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000160765385 473172253 /nfs/dbraw/zinc/17/22/53/473172253.db2.gz NHLYIHNNHLEACH-UHFFFAOYSA-N 1 0 332.444 2.600 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000160766486 473172356 /nfs/dbraw/zinc/17/23/56/473172356.db2.gz JLUAUNZFORPFBH-VXGBXAGGSA-N 1 0 345.424 2.539 20 70 EFIDRO COCC[N@H+](C)CC[C@H](NC(=O)NC1(C)CCC1)c1ccccc1 ZINC000160772029 473173677 /nfs/dbraw/zinc/17/36/77/473173677.db2.gz BCKRSYKZJMADPO-KRWDZBQOSA-N 1 0 333.476 2.938 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2cccc3c2OCO3)CC1 ZINC000160779794 473174040 /nfs/dbraw/zinc/17/40/40/473174040.db2.gz YYMDPSIXGXCLSI-UHFFFAOYSA-N 1 0 347.459 2.679 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000160851146 473183731 /nfs/dbraw/zinc/18/37/31/473183731.db2.gz JVTRUKGUSYJISE-HUUCEWRRSA-N 1 0 346.406 2.585 20 70 EFIDRO CC[C@@H]([NH2+]CC(=O)N(C)CCc1ccccn1)c1ccc(F)cc1 ZINC000160873907 473186259 /nfs/dbraw/zinc/18/62/59/473186259.db2.gz RTPNUXMTIBHHLR-GOSISDBHSA-N 1 0 329.419 2.963 20 70 EFIDRO O=C(NCCCc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000160884720 473186977 /nfs/dbraw/zinc/18/69/77/473186977.db2.gz HFWYIHDHDRWXFR-GFCCVEGCSA-N 1 0 343.240 2.637 20 70 EFIDRO Cc1ccc(C(=O)CC[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000160917013 473190668 /nfs/dbraw/zinc/19/06/68/473190668.db2.gz HVKAYJNZUAZSLV-LJQANCHMSA-N 1 0 341.455 2.747 20 70 EFIDRO O=C(C[C@H]1CSCCS1)NC1CC[NH+](C2CCCC2)CC1 ZINC000160956130 473194356 /nfs/dbraw/zinc/19/43/56/473194356.db2.gz FCWOKHMDGXKOSL-HNNXBMFYSA-N 1 0 328.547 2.748 20 70 EFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000160980836 473196230 /nfs/dbraw/zinc/19/62/30/473196230.db2.gz RHRRWUNCWZUHFH-RHSMWYFYSA-N 1 0 344.480 2.975 20 70 EFIDRO Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)cn1 ZINC000160979742 473196953 /nfs/dbraw/zinc/19/69/53/473196953.db2.gz PTHJVQHAZNSGJJ-QZTJIDSGSA-N 1 0 339.439 2.969 20 70 EFIDRO COC(=O)c1csc(NC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000160995568 473197299 /nfs/dbraw/zinc/19/72/99/473197299.db2.gz MDEGRDLPKARXQO-UHFFFAOYSA-N 1 0 347.440 2.788 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000160997600 473197324 /nfs/dbraw/zinc/19/73/24/473197324.db2.gz KHNNLRVYIDAWEY-HNNXBMFYSA-N 1 0 336.863 2.739 20 70 EFIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)c1ccc(F)cc1F ZINC000160995756 473197583 /nfs/dbraw/zinc/19/75/83/473197583.db2.gz MZFYLIBKUHIBBF-QMTHXVAHSA-N 1 0 327.375 2.628 20 70 EFIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)c1ccc(F)cc1F ZINC000160995641 473197593 /nfs/dbraw/zinc/19/75/93/473197593.db2.gz MZFYLIBKUHIBBF-YGRLFVJLSA-N 1 0 327.375 2.628 20 70 EFIDRO CCC[C@@H]1CN(C(=O)Nc2ccc(OC)cc2C)CC[N@@H+]1CCOC ZINC000160993447 473197749 /nfs/dbraw/zinc/19/77/49/473197749.db2.gz OFXPSDZYNDSUOD-MRXNPFEDSA-N 1 0 349.475 2.968 20 70 EFIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NOCc1cccnc1 ZINC000161009692 473198939 /nfs/dbraw/zinc/19/89/39/473198939.db2.gz AKCGDMXNTDBMBZ-GOSISDBHSA-N 1 0 340.427 2.650 20 70 EFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cnn(CC(C)C)c2C)o1 ZINC000161011913 473199263 /nfs/dbraw/zinc/19/92/63/473199263.db2.gz ATWLUUDHHWCHQR-UHFFFAOYSA-N 1 0 346.475 2.953 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C1 ZINC000161057132 473202586 /nfs/dbraw/zinc/20/25/86/473202586.db2.gz FPFGYPVOVBSVFN-VXGBXAGGSA-N 1 0 345.424 2.539 20 70 EFIDRO CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161055666 473202715 /nfs/dbraw/zinc/20/27/15/473202715.db2.gz BXBYSEWANYAKOV-HUUCEWRRSA-N 1 0 342.443 2.661 20 70 EFIDRO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000161074210 473204545 /nfs/dbraw/zinc/20/45/45/473204545.db2.gz BUGBEZUPDPFWKG-VQTJNVASSA-N 1 0 338.451 2.508 20 70 EFIDRO CCc1ccc([C@@H](CNC(=O)NC[C@H](O)C(CC)CC)[NH+](C)C)cc1 ZINC000217148345 474142007 /nfs/dbraw/zinc/14/20/07/474142007.db2.gz HJIDLRSKFQEJGX-MOPGFXCFSA-N 1 0 349.519 2.948 20 70 EFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Br)ccc1O ZINC000217405282 474142118 /nfs/dbraw/zinc/14/21/18/474142118.db2.gz IGDSVVAANUXWDH-JTQLQIEISA-N 1 0 329.238 2.615 20 70 EFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc2c(c(Br)c1)OCO2 ZINC000217375594 474142444 /nfs/dbraw/zinc/14/24/44/474142444.db2.gz MTZIBIFMJBQMOL-LLVKDONJSA-N 1 0 343.265 2.998 20 70 EFIDRO Cc1cc(F)cc2c(O)c(C(=O)NC3CC[NH+](C(C)C)CC3)cnc12 ZINC000160418807 533843501 /nfs/dbraw/zinc/84/35/01/533843501.db2.gz XKHKVBXMECUHDU-UHFFFAOYSA-N 1 0 345.418 2.578 20 70 EFIDRO C[C@@H](CNC(=O)NCCc1ccc(Cl)nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000160202520 533958119 /nfs/dbraw/zinc/95/81/19/533958119.db2.gz RONDUFBZMGZOJI-KBPBESRZSA-N 1 0 338.883 2.697 20 70 EFIDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000160306224 534067270 /nfs/dbraw/zinc/06/72/70/534067270.db2.gz YUSDMWDOBNNKTL-UHFFFAOYSA-N 1 0 345.468 2.908 20 70 EFIDRO Cc1nc(Cl)ccc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000160198739 534428919 /nfs/dbraw/zinc/42/89/19/534428919.db2.gz MDNSYSFQTXJDMI-UHFFFAOYSA-N 1 0 339.867 2.663 20 70 EFIDRO CC(C)[NH+](CCS[C@H]1CCCN(c2cnn(C)c2)C1=O)C(C)C ZINC000160960960 519650748 /nfs/dbraw/zinc/65/07/48/519650748.db2.gz DNIFIEUKAOAFIT-INIZCTEOSA-N 1 0 338.521 2.768 20 70 EFIDRO [NH3+]C1(CNC(=O)COc2cccc(Br)c2)CCCCC1 ZINC000159652756 534536457 /nfs/dbraw/zinc/53/64/57/534536457.db2.gz TUESAUZVLFKXMC-UHFFFAOYSA-N 1 0 341.249 2.606 20 70 EFIDRO Cc1cnccc1CCNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000159715919 534698703 /nfs/dbraw/zinc/69/87/03/534698703.db2.gz ITGRBAWZJPTOOV-GOSISDBHSA-N 1 0 344.434 2.674 20 70 EFIDRO Cc1nc2ncnn2c(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000160213847 534713194 /nfs/dbraw/zinc/71/31/94/534713194.db2.gz YLVWUIFUGDCXJP-GUYCJALGSA-N 1 0 336.443 2.674 20 70 EFIDRO Cc1nc2ncnn2c(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000160213709 534714009 /nfs/dbraw/zinc/71/40/09/534714009.db2.gz YLVWUIFUGDCXJP-SUMWQHHRSA-N 1 0 336.443 2.674 20 70 EFIDRO C[NH+](C)CCCCCCCNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000159586159 524051849 /nfs/dbraw/zinc/05/18/49/524051849.db2.gz WBZNEYMUXRZFGC-DLBZAZTESA-N 1 0 325.497 2.755 20 70 EFIDRO Cc1cccc(C)c1OCCCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000216915783 524313079 /nfs/dbraw/zinc/31/30/79/524313079.db2.gz YEVHZYAKYSNDCI-INIZCTEOSA-N 1 0 333.476 2.854 20 70 EFIDRO O=C(/C=C/c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160279675 534779692 /nfs/dbraw/zinc/77/96/92/534779692.db2.gz UJTJLQRPLSKEDP-UAEOLWBESA-N 1 0 334.485 2.645 20 70 EFIDRO O=C(/C=C/c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160279405 534780808 /nfs/dbraw/zinc/78/08/08/534780808.db2.gz UJTJLQRPLSKEDP-FNQZAJIHSA-N 1 0 334.485 2.645 20 70 EFIDRO C[C@H]([NH3+])C(=O)NCCc1cccc(OCCCc2ccccc2)c1 ZINC000159479052 524822079 /nfs/dbraw/zinc/82/20/79/524822079.db2.gz YEINNTBSJJJQGZ-INIZCTEOSA-N 1 0 326.440 2.704 20 70 EFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCN2C(=O)c3ccccc3C2=O)n1 ZINC000159968831 524852753 /nfs/dbraw/zinc/85/27/53/524852753.db2.gz HSXNIBJIIBRFFW-SFHVURJKSA-N 1 0 335.407 2.823 20 70 EFIDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000218721990 525554912 /nfs/dbraw/zinc/55/49/12/525554912.db2.gz YITDJZHECFWOBA-MWDXBVQZSA-N 1 0 346.471 2.842 20 70 EFIDRO CC(=O)CCc1ccc(O[C@H](C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159633466 526431669 /nfs/dbraw/zinc/43/16/69/526431669.db2.gz GYUMPPGWJOSHKW-MRXNPFEDSA-N 1 0 346.471 2.753 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCc1ccncc1 ZINC000161021840 527963171 /nfs/dbraw/zinc/96/31/71/527963171.db2.gz OCTLTNQMDVGCFW-GOSISDBHSA-N 1 0 332.492 2.776 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000160909582 528110911 /nfs/dbraw/zinc/11/09/11/528110911.db2.gz ZBIVLOSNAHAWTR-JKSUJKDBSA-N 1 0 334.464 2.541 20 70 EFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000159602541 528121519 /nfs/dbraw/zinc/12/15/19/528121519.db2.gz JKDZVWWFIBWUIA-UHFFFAOYSA-N 1 0 333.432 2.561 20 70 EFIDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2c(C)cccc2C)CC1 ZINC000160454926 528189308 /nfs/dbraw/zinc/18/93/08/528189308.db2.gz KJTYJGRTXXXHMQ-UHFFFAOYSA-N 1 0 331.460 2.575 20 70 EFIDRO CCC[C@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(=O)OCC ZINC000159896355 528213202 /nfs/dbraw/zinc/21/32/02/528213202.db2.gz ZZHVPLAMTQBUDO-YJBOKZPZSA-N 1 0 333.476 2.928 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc(OC(F)F)cc2)CC1 ZINC000161060556 528280625 /nfs/dbraw/zinc/28/06/25/528280625.db2.gz PWCIVJKPOSFYBO-UHFFFAOYSA-N 1 0 326.387 2.679 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)CC1 ZINC000161117693 528289006 /nfs/dbraw/zinc/28/90/06/528289006.db2.gz LKOUZTIHZQSDKK-UHFFFAOYSA-N 1 0 330.432 2.808 20 70 EFIDRO CC(C)[C@@H](C(=O)Nc1nnc(Cc2cccc(F)c2)s1)[NH+](C)C ZINC000159695880 528376402 /nfs/dbraw/zinc/37/64/02/528376402.db2.gz UVPDBLFUTKRGJU-AWEZNQCLSA-N 1 0 336.436 2.793 20 70 EFIDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000161200231 528386520 /nfs/dbraw/zinc/38/65/20/528386520.db2.gz FKCAFSPUYQGUOQ-IBGZPJMESA-N 1 0 326.444 2.612 20 70 EFIDRO CCCc1ccc(C(=O)CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159840100 528614941 /nfs/dbraw/zinc/61/49/41/528614941.db2.gz UWMTWIVAKNVNLB-HDICACEKSA-N 1 0 328.456 2.955 20 70 EFIDRO CCOc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160645502 528630658 /nfs/dbraw/zinc/63/06/58/528630658.db2.gz ZUBOQPRPJXFJRP-RBUKOAKNSA-N 1 0 346.471 2.583 20 70 EFIDRO CCC(CC)(CNC(=O)N[C@@H](C)CCO)[NH2+][C@H](C)c1ccccc1 ZINC000159881414 528677568 /nfs/dbraw/zinc/67/75/68/528677568.db2.gz JHLYJZORUXQLBG-JKSUJKDBSA-N 1 0 335.492 2.966 20 70 EFIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@](C)(O)C1 ZINC000160205477 528837448 /nfs/dbraw/zinc/83/74/48/528837448.db2.gz CFYIXBCMQIXQOA-LJQANCHMSA-N 1 0 333.476 2.583 20 70 EFIDRO CCOC[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160904964 528933761 /nfs/dbraw/zinc/93/37/61/528933761.db2.gz OEWPRJCSNOMAOQ-SJORKVTESA-N 1 0 325.497 2.565 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000160538842 528946572 /nfs/dbraw/zinc/94/65/72/528946572.db2.gz WQXAKQAAFITMDO-UHFFFAOYSA-N 1 0 344.459 2.692 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000160443741 528946608 /nfs/dbraw/zinc/94/66/08/528946608.db2.gz LPFNJNVIRSCURN-UHFFFAOYSA-N 1 0 343.475 2.946 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](OC)c2cccc(Cl)c2)CC1 ZINC000159926452 529024699 /nfs/dbraw/zinc/02/46/99/529024699.db2.gz IUEZQKCRDCSRLY-MRXNPFEDSA-N 1 0 339.867 2.765 20 70 EFIDRO CCOC[C@H]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160019901 529027322 /nfs/dbraw/zinc/02/73/22/529027322.db2.gz RIOBFKQMQFXIBJ-WDSOQIARSA-N 1 0 345.487 2.717 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(OCC(C)C)c2)CC1 ZINC000159747890 529027640 /nfs/dbraw/zinc/02/76/40/529027640.db2.gz VFBPEDYQHQYEPQ-UHFFFAOYSA-N 1 0 333.476 2.959 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000159520560 529027857 /nfs/dbraw/zinc/02/78/57/529027857.db2.gz VLQCUVMJVUWWOJ-UHFFFAOYSA-N 1 0 329.366 2.943 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000159539653 529028877 /nfs/dbraw/zinc/02/88/77/529028877.db2.gz RVLCKQPMUFGBFK-IBGZPJMESA-N 1 0 338.455 2.908 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2csc(-c3ccco3)n2)CC1 ZINC000160001036 529029006 /nfs/dbraw/zinc/02/90/06/529029006.db2.gz NMYJWBVWZRKXJJ-UHFFFAOYSA-N 1 0 334.445 2.640 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000160015319 529030596 /nfs/dbraw/zinc/03/05/96/529030596.db2.gz BBYYEQSBWUGZPK-OALUTQOASA-N 1 0 345.487 2.862 20 70 EFIDRO CC(C)[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC000160055618 529040007 /nfs/dbraw/zinc/04/00/07/529040007.db2.gz AGFFRBIKBLLHNK-UHFFFAOYSA-N 1 0 345.487 2.515 20 70 EFIDRO CCc1ccc([C@H](CNC(=O)NCC2(O)CCCCC2)[NH+](C)C)cc1 ZINC000216867619 581505539 /nfs/dbraw/zinc/50/55/39/581505539.db2.gz QCQIMBHDGZYMRE-SFHVURJKSA-N 1 0 347.503 2.846 20 70 EFIDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c(C)n1 ZINC000161460227 282164376 /nfs/dbraw/zinc/16/43/76/282164376.db2.gz NMBRVZXPRXSQEA-CQSZACIVSA-N 1 0 326.444 2.781 20 70 EFIDRO CN1CCc2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cc2C1=O ZINC000160795712 529813799 /nfs/dbraw/zinc/81/37/99/529813799.db2.gz JHTZKRQSHMYJBK-RDJZCZTQSA-N 1 0 329.444 2.551 20 70 EFIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160430216 303977132 /nfs/dbraw/zinc/97/71/32/303977132.db2.gz CYRKUFSCSVKHLK-KSZLIROESA-N 1 0 335.492 2.604 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(CCc2ccccc2)n1 ZINC000161259030 530003217 /nfs/dbraw/zinc/00/32/17/530003217.db2.gz VDKWUBKBQSVHBD-OAHLLOKOSA-N 1 0 329.469 2.752 20 70 EFIDRO COC(=O)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000160374155 291111704 /nfs/dbraw/zinc/11/17/04/291111704.db2.gz VGMNZMWPMFZXDH-IAGOWNOFSA-N 1 0 346.471 2.847 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC000161286840 283562384 /nfs/dbraw/zinc/56/23/84/283562384.db2.gz JDZJWKXAVDRIIL-RYUDHWBXSA-N 1 0 330.350 2.683 20 70 EFIDRO [NH3+]C1(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCCCC1 ZINC000159537018 239030726 /nfs/dbraw/zinc/03/07/26/239030726.db2.gz IAIVRMLBEOPIRF-QGZVFWFLSA-N 1 0 333.451 2.568 20 70 EFIDRO O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160325785 239046741 /nfs/dbraw/zinc/04/67/41/239046741.db2.gz GQHFOZDCJDDWJG-OKILXGFUSA-N 1 0 330.819 2.697 20 70 EFIDRO O=C(c1cnc(Cc2ccccc2)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160576274 239053699 /nfs/dbraw/zinc/05/36/99/239053699.db2.gz LOWXYFVUEGJLAG-GASCZTMLSA-N 1 0 327.453 2.700 20 70 EFIDRO CN(C)C(=O)c1ccc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)[nH]1 ZINC000159380883 206243388 /nfs/dbraw/zinc/24/33/88/206243388.db2.gz MGVSALRQRKZWRL-UHFFFAOYSA-N 1 0 342.487 2.717 20 70 EFIDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000159404933 206244058 /nfs/dbraw/zinc/24/40/58/206244058.db2.gz XAHHVCFHGQUUAD-LBPRGKRZSA-N 1 0 330.856 2.586 20 70 EFIDRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000159396133 206244540 /nfs/dbraw/zinc/24/45/40/206244540.db2.gz XFIPZYFOLTZBFD-QGZVFWFLSA-N 1 0 345.487 2.644 20 70 EFIDRO CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159426580 206246186 /nfs/dbraw/zinc/24/61/86/206246186.db2.gz VHNUCYMMIGWXJP-MRXNPFEDSA-N 1 0 345.487 2.672 20 70 EFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000159452757 206246420 /nfs/dbraw/zinc/24/64/20/206246420.db2.gz JXGDNLBPDRYNCQ-BTDOCVFRSA-N 1 0 336.863 2.906 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000159449000 206246459 /nfs/dbraw/zinc/24/64/59/206246459.db2.gz QYNKDIIXPXGWPH-INIZCTEOSA-N 1 0 345.487 2.843 20 70 EFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000159444398 206246849 /nfs/dbraw/zinc/24/68/49/206246849.db2.gz SENVOLRWZYWAAP-INIZCTEOSA-N 1 0 345.418 2.827 20 70 EFIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)c(C)n1Cc1ccccn1 ZINC000159611095 206254272 /nfs/dbraw/zinc/25/42/72/206254272.db2.gz RQCQPERQNOHCOJ-UHFFFAOYSA-N 1 0 340.471 2.940 20 70 EFIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159601307 206254850 /nfs/dbraw/zinc/25/48/50/206254850.db2.gz HQPDOKVBANWLOH-DOMZBBRYSA-N 1 0 328.503 2.994 20 70 EFIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000159631862 206256880 /nfs/dbraw/zinc/25/68/80/206256880.db2.gz NNFYYYVEJQWGLG-RDTXWAMCSA-N 1 0 334.435 2.721 20 70 EFIDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CCCCO1 ZINC000159695816 206259660 /nfs/dbraw/zinc/25/96/60/206259660.db2.gz JDAMROHIBCHHTL-QGZVFWFLSA-N 1 0 344.459 2.886 20 70 EFIDRO CCCOCc1ccccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159686499 206259675 /nfs/dbraw/zinc/25/96/75/206259675.db2.gz YJXMEAQOEACZQH-UHFFFAOYSA-N 1 0 333.476 2.850 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000159469203 206247280 /nfs/dbraw/zinc/24/72/80/206247280.db2.gz ZXFRCDXMLKOYIX-ROUUACIJSA-N 1 0 333.476 2.938 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc(F)c1 ZINC000159494411 206248347 /nfs/dbraw/zinc/24/83/47/206248347.db2.gz OFFWSEYBRVZTAD-SQNIBIBYSA-N 1 0 349.450 2.685 20 70 EFIDRO COc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(OC)c1OC ZINC000159508504 206249647 /nfs/dbraw/zinc/24/96/47/206249647.db2.gz VGHYKQZGTPOCPS-KKXDTOCCSA-N 1 0 333.428 2.760 20 70 EFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000159512937 206250384 /nfs/dbraw/zinc/25/03/84/206250384.db2.gz ZHYIYNFAVCJDNQ-HOTGVXAUSA-N 1 0 342.439 2.905 20 70 EFIDRO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159503317 206250505 /nfs/dbraw/zinc/25/05/05/206250505.db2.gz JASOOGMGTOOVFO-SZMVWBNQSA-N 1 0 348.487 2.745 20 70 EFIDRO C[C@@H]1Sc2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2NC1=O ZINC000159508386 206250559 /nfs/dbraw/zinc/25/05/59/206250559.db2.gz JHYWNWBEJPSPTH-NSHDSACASA-N 1 0 333.457 2.511 20 70 EFIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000159564286 206251632 /nfs/dbraw/zinc/25/16/32/206251632.db2.gz POZGTEIVDFQEIG-WMLDXEAASA-N 1 0 334.435 2.721 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2OC(F)F)CC1 ZINC000159576841 206252647 /nfs/dbraw/zinc/25/26/47/206252647.db2.gz OOWPESFLNTUPSE-UHFFFAOYSA-N 1 0 327.375 2.525 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccco1 ZINC000159591944 206252730 /nfs/dbraw/zinc/25/27/30/206252730.db2.gz YRYWIHPHGPJZLA-BQFCYCMXSA-N 1 0 349.475 2.919 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000159569361 206253569 /nfs/dbraw/zinc/25/35/69/206253569.db2.gz PANSLMSWQOCGDL-GOSISDBHSA-N 1 0 331.460 2.884 20 70 EFIDRO COc1ccc(C(F)(F)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000159728612 206261037 /nfs/dbraw/zinc/26/10/37/206261037.db2.gz WEHUHDFAFYGWCV-CJNGLKHVSA-N 1 0 338.398 2.730 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000159820371 206264660 /nfs/dbraw/zinc/26/46/60/206264660.db2.gz AEUOQGNJJMDCKU-MRXNPFEDSA-N 1 0 344.484 2.970 20 70 EFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000159830542 206265218 /nfs/dbraw/zinc/26/52/18/206265218.db2.gz UXVTXAGZFBPCKU-DLBZAZTESA-N 1 0 331.504 2.670 20 70 EFIDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC(=O)c1ccc(C)cc1)CC2 ZINC000159799037 206263338 /nfs/dbraw/zinc/26/33/38/206263338.db2.gz RKLHQFOWOTZIPI-MOPGFXCFSA-N 1 0 331.456 2.820 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(-n2cccn2)c1)C1CCCCC1 ZINC000159830667 206265795 /nfs/dbraw/zinc/26/57/95/206265795.db2.gz KOJXRYIZJNCULN-KRWDZBQOSA-N 1 0 341.459 2.508 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000159820216 206265847 /nfs/dbraw/zinc/26/58/47/206265847.db2.gz AEUOQGNJJMDCKU-INIZCTEOSA-N 1 0 344.484 2.970 20 70 EFIDRO CCc1ccc(/C=C/C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)o1 ZINC000159816079 206266018 /nfs/dbraw/zinc/26/60/18/206266018.db2.gz VSMWBMGJKKFYLS-VOTSOKGWSA-N 1 0 341.411 2.608 20 70 EFIDRO [NH3+]CCCC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159854528 206266734 /nfs/dbraw/zinc/26/67/34/206266734.db2.gz HMIVRVAGVCREMX-UHFFFAOYSA-N 1 0 338.473 2.612 20 70 EFIDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000159875911 206268248 /nfs/dbraw/zinc/26/82/48/206268248.db2.gz PIMQXKSAQDQSDT-OLZOCXBDSA-N 1 0 345.418 2.517 20 70 EFIDRO CC[NH+](CC)Cc1cccc(NC(=O)CS(=O)(=O)C(C)(C)C)c1 ZINC000159898811 206269456 /nfs/dbraw/zinc/26/94/56/206269456.db2.gz KOUGZTOWJDMJLX-UHFFFAOYSA-N 1 0 340.489 2.680 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1occc1-c1ccccc1 ZINC000159950879 206272170 /nfs/dbraw/zinc/27/21/70/206272170.db2.gz ASZMXAMLKOCVEW-MRXNPFEDSA-N 1 0 328.412 2.523 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000159934407 206272355 /nfs/dbraw/zinc/27/23/55/206272355.db2.gz UKDFFGNSHPZZCC-INIZCTEOSA-N 1 0 341.459 2.671 20 70 EFIDRO CCn1nccc1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000159927081 206271364 /nfs/dbraw/zinc/27/13/64/206271364.db2.gz CPADINMLPZRRDJ-SFHVURJKSA-N 1 0 348.878 2.720 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000159943724 206271856 /nfs/dbraw/zinc/27/18/56/206271856.db2.gz HWRYOFZAAGQEBK-SFHVURJKSA-N 1 0 347.503 3.000 20 70 EFIDRO Cc1cc(CCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)s1 ZINC000160013927 206274831 /nfs/dbraw/zinc/27/48/31/206274831.db2.gz NFVYVAMIQNAODR-QGZVFWFLSA-N 1 0 338.517 2.651 20 70 EFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000160060802 206278471 /nfs/dbraw/zinc/27/84/71/206278471.db2.gz ATZQPPCAVXYNLG-STQMWFEESA-N 1 0 326.872 2.772 20 70 EFIDRO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160141528 206281795 /nfs/dbraw/zinc/28/17/95/206281795.db2.gz IVUDLPGCZJQINU-HNNXBMFYSA-N 1 0 344.427 2.604 20 70 EFIDRO O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160168102 206281894 /nfs/dbraw/zinc/28/18/94/206281894.db2.gz CCOGEUQAIQNPRP-KRWDZBQOSA-N 1 0 340.464 2.606 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2cc[nH]c2c1 ZINC000160168543 206282237 /nfs/dbraw/zinc/28/22/37/206282237.db2.gz YOZADQVRXPMNDE-RTBURBONSA-N 1 0 341.455 2.666 20 70 EFIDRO CC[C@@H](CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000160154236 206281423 /nfs/dbraw/zinc/28/14/23/206281423.db2.gz GKZZIGLXJYQXFM-ROUUACIJSA-N 1 0 331.504 2.631 20 70 EFIDRO CCC[C@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)N1CCc2sccc2C1 ZINC000160174386 206283822 /nfs/dbraw/zinc/28/38/22/206283822.db2.gz YZFWRCFMQBVPRQ-CJNGLKHVSA-N 1 0 346.500 2.886 20 70 EFIDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000160212885 206285343 /nfs/dbraw/zinc/28/53/43/206285343.db2.gz OEJJUQFUXVORKA-UHFFFAOYSA-N 1 0 340.395 2.505 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000160225265 206284566 /nfs/dbraw/zinc/28/45/66/206284566.db2.gz OOMJLVNWHIGRSS-GFCCVEGCSA-N 1 0 331.243 2.570 20 70 EFIDRO O=C(/C=C/c1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160279536 206288450 /nfs/dbraw/zinc/28/84/50/206288450.db2.gz UJTJLQRPLSKEDP-NXVGNOFTSA-N 1 0 334.485 2.645 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@](C)(O)C2)c1 ZINC000160245017 206286945 /nfs/dbraw/zinc/28/69/45/206286945.db2.gz VQCGPBSDQSFLIA-IBGZPJMESA-N 1 0 333.476 2.585 20 70 EFIDRO CCc1ccc(/C=C/C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)o1 ZINC000160244269 206287091 /nfs/dbraw/zinc/28/70/91/206287091.db2.gz LLQVFJNNVKUWNN-MDZDMXLPSA-N 1 0 341.411 2.654 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccsc1 ZINC000160283358 206287727 /nfs/dbraw/zinc/28/77/27/206287727.db2.gz PDDFWTKASBTQRS-WBVHZDCISA-N 1 0 339.505 2.687 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccsc1 ZINC000160283087 206287749 /nfs/dbraw/zinc/28/77/49/206287749.db2.gz PDDFWTKASBTQRS-NVXWUHKLSA-N 1 0 339.505 2.687 20 70 EFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCc2ccncc2C)c1 ZINC000160312145 206289603 /nfs/dbraw/zinc/28/96/03/206289603.db2.gz KHYXXOOTSCXZOD-UHFFFAOYSA-N 1 0 340.471 2.884 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccsc1 ZINC000160283237 206288772 /nfs/dbraw/zinc/28/87/72/206288772.db2.gz PDDFWTKASBTQRS-RDJZCZTQSA-N 1 0 339.505 2.687 20 70 EFIDRO Cc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1OCC1CCOCC1 ZINC000160277488 206288826 /nfs/dbraw/zinc/28/88/26/206288826.db2.gz DWGWKVDUCHSPNG-LJQANCHMSA-N 1 0 332.444 2.739 20 70 EFIDRO COc1ccc([C@@H](C[NH2+][C@@H](C)C(C)C)N2CCOCC2)cc1OC ZINC000160336917 206291477 /nfs/dbraw/zinc/29/14/77/206291477.db2.gz PBESGGZMGDSYHS-DOTOQJQBSA-N 1 0 336.476 2.711 20 70 EFIDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1OC ZINC000160339439 206291715 /nfs/dbraw/zinc/29/17/15/206291715.db2.gz QWRHDEISDZTBFO-TZMCWYRMSA-N 1 0 330.432 2.578 20 70 EFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000160330388 206291066 /nfs/dbraw/zinc/29/10/66/206291066.db2.gz XUNPETMIVWCDDR-HNNXBMFYSA-N 1 0 342.443 2.608 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000160335856 206291179 /nfs/dbraw/zinc/29/11/79/206291179.db2.gz JJNJKROWVKXEFP-HOCLYGCPSA-N 1 0 344.484 2.948 20 70 EFIDRO COc1ccc([C@@H](C[NH2+][C@@H](C)CC2CC2)N2CCOCC2)cc1OC ZINC000160351840 206292346 /nfs/dbraw/zinc/29/23/46/206292346.db2.gz SRJWUZKBJQZVBV-MAUKXSAKSA-N 1 0 348.487 2.855 20 70 EFIDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000160367070 206292669 /nfs/dbraw/zinc/29/26/69/206292669.db2.gz YXOFVEPNXPCBBP-GDBMZVCRSA-N 1 0 340.851 2.540 20 70 EFIDRO CCC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(OC)cc1 ZINC000160371756 206293136 /nfs/dbraw/zinc/29/31/36/206293136.db2.gz KLFQVXNTRHNPNU-IBGZPJMESA-N 1 0 347.503 2.679 20 70 EFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(OC)c(OC)c1 ZINC000160416174 206296141 /nfs/dbraw/zinc/29/61/41/206296141.db2.gz IDRCEIJAJNDWHU-HUUCEWRRSA-N 1 0 330.432 2.659 20 70 EFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(OC)c(OC)c1 ZINC000160416420 206296244 /nfs/dbraw/zinc/29/62/44/206296244.db2.gz IDRCEIJAJNDWHU-LSDHHAIUSA-N 1 0 330.432 2.659 20 70 EFIDRO O=C(CC1CC[NH2+]CC1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000160390307 206294574 /nfs/dbraw/zinc/29/45/74/206294574.db2.gz DIPQSGLVBCNVKS-INIZCTEOSA-N 1 0 332.419 2.637 20 70 EFIDRO Cc1ccc(C)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160379508 206294839 /nfs/dbraw/zinc/29/48/39/206294839.db2.gz HXAFYKZJUXNXBD-MOPGFXCFSA-N 1 0 330.472 2.801 20 70 EFIDRO CCc1ccc([C@H](CC)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160392054 206294900 /nfs/dbraw/zinc/29/49/00/206294900.db2.gz HMRIYVKKDWNNGO-IBGZPJMESA-N 1 0 331.504 2.842 20 70 EFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(-n3ccnc3C)cc1)CC2 ZINC000160445093 206297342 /nfs/dbraw/zinc/29/73/42/206297342.db2.gz BZGWIVDVWCRSRR-DYVFJYSZSA-N 1 0 336.443 2.746 20 70 EFIDRO CC(=O)Nc1ccc(F)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160493335 206300409 /nfs/dbraw/zinc/30/04/09/206300409.db2.gz AWZUTTAKXXHCPS-OAHLLOKOSA-N 1 0 335.423 2.634 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000160509157 206302091 /nfs/dbraw/zinc/30/20/91/206302091.db2.gz DICLPJCWAUXHOU-HNNXBMFYSA-N 1 0 346.862 2.636 20 70 EFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)CC2 ZINC000160543471 206303052 /nfs/dbraw/zinc/30/30/52/206303052.db2.gz GRFYEOHLHHTVGB-JOYOIKCWSA-N 1 0 340.349 2.993 20 70 EFIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000160646471 206307127 /nfs/dbraw/zinc/30/71/27/206307127.db2.gz MBGDQIIIEZMZGO-HNNXBMFYSA-N 1 0 345.487 2.819 20 70 EFIDRO CCN(CC)c1nc2sc(C(=O)N3CC[C@H]([NH2+]C)C3)cc2s1 ZINC000160710558 206309465 /nfs/dbraw/zinc/30/94/65/206309465.db2.gz ASEVZOLRCQWWEA-JTQLQIEISA-N 1 0 338.502 2.638 20 70 EFIDRO CCCOc1ccc(/C=C/C(=O)N2CC[C@H]([NH2+]C)C2)cc1OCC ZINC000160743515 206310959 /nfs/dbraw/zinc/31/09/59/206310959.db2.gz HVDLSBBNBCFZMH-DYLHUKMJSA-N 1 0 332.444 2.708 20 70 EFIDRO CCNC(=O)N1CCc2ccc(NC(=O)CCCCCC[NH3+])cc21 ZINC000160771021 206312351 /nfs/dbraw/zinc/31/23/51/206312351.db2.gz LLCJBNLBCXPRSO-UHFFFAOYSA-N 1 0 332.448 2.626 20 70 EFIDRO CCC(CC)[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)[NH+](C)C ZINC000160818033 206314015 /nfs/dbraw/zinc/31/40/15/206314015.db2.gz TVSUYMYWNFFBSV-LBPRGKRZSA-N 1 0 349.401 2.933 20 70 EFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000160852278 206316286 /nfs/dbraw/zinc/31/62/86/206316286.db2.gz ZYBAOJDYPPIOBP-SBUREZEXSA-N 1 0 330.453 2.916 20 70 EFIDRO Cc1c([C@@H](C)[NH2+]CC(=O)NC(C)C)cnn1-c1cc(C)ccc1C ZINC000160911172 206318249 /nfs/dbraw/zinc/31/82/49/206318249.db2.gz HQDPNGAKHHHKRK-OAHLLOKOSA-N 1 0 328.460 2.973 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(Cl)c1F)c1cccs1 ZINC000160977150 206321653 /nfs/dbraw/zinc/32/16/53/206321653.db2.gz RLQRHNGWYMWRCQ-JTQLQIEISA-N 1 0 327.812 2.968 20 70 EFIDRO CCC[C@H]1CN(C(=O)Nc2ccc(OC)cc2C)CC[N@@H+]1CCOC ZINC000160993580 206321936 /nfs/dbraw/zinc/32/19/36/206321936.db2.gz OFXPSDZYNDSUOD-INIZCTEOSA-N 1 0 349.475 2.968 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCc3nc(C)sc32)cc1 ZINC000161001608 206322449 /nfs/dbraw/zinc/32/24/49/206322449.db2.gz ZUCCJBKDVWXWOS-HNNXBMFYSA-N 1 0 345.468 2.744 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)CC1 ZINC000161048818 206324549 /nfs/dbraw/zinc/32/45/49/206324549.db2.gz SBFVALMYLUCVPG-UHFFFAOYSA-N 1 0 348.462 2.722 20 70 EFIDRO CC(C)NC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161036330 206325753 /nfs/dbraw/zinc/32/57/53/206325753.db2.gz JEYJKBZBHDVLPR-MRXNPFEDSA-N 1 0 327.432 2.860 20 70 EFIDRO CC(C)[C@@H](CNC(=O)NOCc1cccnc1)[NH+]1CCC(C)CC1 ZINC000161071466 206325993 /nfs/dbraw/zinc/32/59/93/206325993.db2.gz HUXKGMZIONELRN-QGZVFWFLSA-N 1 0 334.464 2.569 20 70 EFIDRO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000161074327 206326623 /nfs/dbraw/zinc/32/66/23/206326623.db2.gz BUGBEZUPDPFWKG-WOJBJXKFSA-N 1 0 338.451 2.508 20 70 EFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000161059794 206327123 /nfs/dbraw/zinc/32/71/23/206327123.db2.gz VLQIHJIKRZGMAH-GDLCADMTSA-N 1 0 330.881 2.613 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)CC1 ZINC000161101168 206327612 /nfs/dbraw/zinc/32/76/12/206327612.db2.gz INWUKNORPXOUGL-KSSFIOAISA-N 1 0 343.471 2.743 20 70 EFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc3[nH]c(=O)oc32)c1 ZINC000160595705 206304882 /nfs/dbraw/zinc/30/48/82/206304882.db2.gz HJBLLJZVUOKVLB-UHFFFAOYSA-N 1 0 339.395 2.503 20 70 EFIDRO CCSCc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160619344 206305640 /nfs/dbraw/zinc/30/56/40/206305640.db2.gz MFADKEVTIKOSGQ-QGZVFWFLSA-N 1 0 336.501 2.516 20 70 EFIDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC(=O)NCC(F)(F)F)CCCO2 ZINC000160603995 206305699 /nfs/dbraw/zinc/30/56/99/206305699.db2.gz RDPAHWZHWUFBQU-CYBMUJFWSA-N 1 0 330.350 2.785 20 70 EFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161185821 206333740 /nfs/dbraw/zinc/33/37/40/206333740.db2.gz ZJSODUBJHQPUJP-DZGCQCFKSA-N 1 0 342.480 2.754 20 70 EFIDRO CCc1nc(-c2ccccc2NC(=O)C[NH+]2CCC(C)CC2)n[nH]1 ZINC000161209765 206335442 /nfs/dbraw/zinc/33/54/42/206335442.db2.gz OPETZSXLZGXEOA-UHFFFAOYSA-N 1 0 327.432 2.705 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000161215169 206336627 /nfs/dbraw/zinc/33/66/27/206336627.db2.gz ZNERCVGNGMUHAU-STQMWFEESA-N 1 0 332.473 2.568 20 70 EFIDRO Cc1nn(C)cc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000161288485 206338631 /nfs/dbraw/zinc/33/86/31/206338631.db2.gz XPPQSNNWKJKKIV-GOSISDBHSA-N 1 0 348.878 2.545 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2cccnc2OCC(F)(F)F)CC1 ZINC000161271839 206339290 /nfs/dbraw/zinc/33/92/90/206339290.db2.gz CXFFPVHQMUMUOO-UHFFFAOYSA-N 1 0 345.365 2.560 20 70 EFIDRO CC(=O)NC1CCC([NH2+][C@H](C)COc2ccc(F)cc2F)CC1 ZINC000161355962 206343314 /nfs/dbraw/zinc/34/33/14/206343314.db2.gz WHSWMKMQABNELA-VCANKDNSSA-N 1 0 326.387 2.769 20 70 EFIDRO COCC[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000161345857 206343905 /nfs/dbraw/zinc/34/39/05/206343905.db2.gz YOJKIXOCTNJHFZ-CYBMUJFWSA-N 1 0 340.414 2.685 20 70 EFIDRO CC(C)Cc1nc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cs1 ZINC000161386606 206344110 /nfs/dbraw/zinc/34/41/10/206344110.db2.gz RYJPLXJFEONXAD-CYBMUJFWSA-N 1 0 330.457 2.745 20 70 EFIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000161386821 206345165 /nfs/dbraw/zinc/34/51/65/206345165.db2.gz RGBNHKFNWXYPNA-MRXNPFEDSA-N 1 0 345.487 2.677 20 70 EFIDRO COc1ccccc1N1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161405553 206346272 /nfs/dbraw/zinc/34/62/72/206346272.db2.gz ZGQNFDWJAIIMKW-INIZCTEOSA-N 1 0 346.471 2.797 20 70 EFIDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CCN(C)CC1 ZINC000161413965 206346491 /nfs/dbraw/zinc/34/64/91/206346491.db2.gz QGNNILMENAGOKI-CQSZACIVSA-N 1 0 337.895 2.761 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1cnn(C)c1C)c1ccco1 ZINC000161389046 206346906 /nfs/dbraw/zinc/34/69/06/206346906.db2.gz RAEUSELIPNHZJV-ZNFPLGDCSA-N 1 0 330.432 2.534 20 70 EFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161422933 206347661 /nfs/dbraw/zinc/34/76/61/206347661.db2.gz PCIWDTMSLHMNBS-OAHLLOKOSA-N 1 0 346.471 2.990 20 70 EFIDRO C[N@H+](CCCNC(=O)N[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000161469586 206350022 /nfs/dbraw/zinc/35/00/22/206350022.db2.gz HNQNXVPHSPFRSZ-QGZVFWFLSA-N 1 0 333.476 2.765 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)[C@@H](C)C3(C)CC3)nc(N)c21 ZINC000161495044 206351170 /nfs/dbraw/zinc/35/11/70/206351170.db2.gz BWRQVPGZBSCMBZ-NSHDSACASA-N 1 0 346.431 2.911 20 70 EFIDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 ZINC000161472550 206351457 /nfs/dbraw/zinc/35/14/57/206351457.db2.gz GRLPIGKBLIRHLO-MRXNPFEDSA-N 1 0 347.440 2.840 20 70 EFIDRO CC1CC[NH+](C2CCC(NC(=O)/C=C/c3ccnn3C)CC2)CC1 ZINC000161496098 206352072 /nfs/dbraw/zinc/35/20/72/206352072.db2.gz DGWMEBSCVFYCEA-BQYQJAHWSA-N 1 0 330.476 2.593 20 70 EFIDRO COc1cc(F)c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000161499413 206353570 /nfs/dbraw/zinc/35/35/70/206353570.db2.gz ZKIHJKWOMJJNAS-ZDUSSCGKSA-N 1 0 338.423 2.837 20 70 EFIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000161505778 206353854 /nfs/dbraw/zinc/35/38/54/206353854.db2.gz VJBYJCWPEPVSDS-RBUKOAKNSA-N 1 0 338.407 2.507 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000161503971 206353940 /nfs/dbraw/zinc/35/39/40/206353940.db2.gz SGOUHSXUKXUKRI-NKGKWGDASA-N 1 0 330.428 2.714 20 70 EFIDRO O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC2(CCCCC2)CC1 ZINC000160257517 296361905 /nfs/dbraw/zinc/36/19/05/296361905.db2.gz YTNZQRIVWWJJEZ-UHFFFAOYSA-N 1 0 333.476 2.897 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2c1 ZINC000159604913 533346513 /nfs/dbraw/zinc/34/65/13/533346513.db2.gz FMTGYJODWFLBNS-OKILXGFUSA-N 1 0 325.412 2.518 20 70 EFIDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C2)cc(Cl)c1OCCC(C)C ZINC000160294904 225380986 /nfs/dbraw/zinc/38/09/86/225380986.db2.gz VBJRLWVXJVYQKB-CYBMUJFWSA-N 1 0 340.851 2.947 20 70 EFIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159869443 544799211 /nfs/dbraw/zinc/79/92/11/544799211.db2.gz OOEFYOSIDZTSGI-CVEARBPZSA-N 1 0 327.453 2.904 20 70 EFIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159869857 544800011 /nfs/dbraw/zinc/80/00/11/544800011.db2.gz OOEFYOSIDZTSGI-JKSUJKDBSA-N 1 0 327.453 2.904 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](OC)c2ccccc2Cl)CC1 ZINC000160001203 544800909 /nfs/dbraw/zinc/80/09/09/544800909.db2.gz ZKUOSOYSQSMSAY-INIZCTEOSA-N 1 0 339.867 2.765 20 70 EFIDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000160024144 544801286 /nfs/dbraw/zinc/80/12/86/544801286.db2.gz DGDXBAVGOIQIOR-CQSZACIVSA-N 1 0 333.432 2.788 20 70 EFIDRO C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)[C@H]1CN(C)CCO1 ZINC000160116850 544802832 /nfs/dbraw/zinc/80/28/32/544802832.db2.gz OMTFPKNKTLGTSC-SMDDNHRTSA-N 1 0 345.365 2.632 20 70 EFIDRO CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(N(C)C)nc1 ZINC000160253748 544803821 /nfs/dbraw/zinc/80/38/21/544803821.db2.gz QUKQOAYCTGDEAA-UHFFFAOYSA-N 1 0 348.397 2.886 20 70 EFIDRO COCCOc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C)cc1OC ZINC000160237895 544804017 /nfs/dbraw/zinc/80/40/17/544804017.db2.gz OLKZRDHYGMNWPJ-ZDUSSCGKSA-N 1 0 333.432 2.613 20 70 EFIDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CCO1 ZINC000160641108 544807461 /nfs/dbraw/zinc/80/74/61/544807461.db2.gz HAMZPWQJXSMLQN-QGZVFWFLSA-N 1 0 346.471 2.735 20 70 EFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CCO1 ZINC000160641208 544807829 /nfs/dbraw/zinc/80/78/29/544807829.db2.gz HAMZPWQJXSMLQN-KRWDZBQOSA-N 1 0 346.471 2.735 20 70 EFIDRO C[C@H](CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccncc1 ZINC000160876514 544808903 /nfs/dbraw/zinc/80/89/03/544808903.db2.gz LKPALEXEYIHELU-QGZVFWFLSA-N 1 0 345.487 2.679 20 70 EFIDRO C[C@H](CC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccncc1 ZINC000160980283 544809703 /nfs/dbraw/zinc/80/97/03/544809703.db2.gz PXEDHJDORWOGSK-MRXNPFEDSA-N 1 0 333.476 2.535 20 70 EFIDRO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccncc1 ZINC000161255981 544810833 /nfs/dbraw/zinc/81/08/33/544810833.db2.gz YJXFXIQSZAGXPF-OAHLLOKOSA-N 1 0 329.419 2.963 20 70 EFIDRO CS(=O)(=O)CCCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000161242845 544810957 /nfs/dbraw/zinc/81/09/57/544810957.db2.gz WBIQTDZBBDNHKV-AWEZNQCLSA-N 1 0 331.503 2.554 20 70 EFIDRO Cc1ccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000161288652 544811403 /nfs/dbraw/zinc/81/14/03/544811403.db2.gz LBXDMBBUENUWOM-UHFFFAOYSA-N 1 0 344.846 2.804 20 70 EFIDRO C[C@@H]1OCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1C ZINC000161306364 544812237 /nfs/dbraw/zinc/81/22/37/544812237.db2.gz VFWPPWDKZWMLBU-GJZGRUSLSA-N 1 0 349.450 2.609 20 70 EFIDRO Cc1cc(Cl)ccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161310799 544813862 /nfs/dbraw/zinc/81/38/62/544813862.db2.gz WOVAYJJMXXFZHR-UHFFFAOYSA-N 1 0 344.846 2.804 20 70 EFIDRO CSC[C@H](CCO)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000160378304 273022091 /nfs/dbraw/zinc/02/20/91/273022091.db2.gz UWPCADUZKRXGAT-FVRSWCFKSA-N 1 0 334.485 2.523 20 70 EFIDRO O=C1[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000161026642 275030298 /nfs/dbraw/zinc/03/02/98/275030298.db2.gz VDJIMRHNYCXFGS-WBVHZDCISA-N 1 0 338.810 2.697 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000161220920 277024641 /nfs/dbraw/zinc/02/46/41/277024641.db2.gz YPVJGPGKKNUCNS-ABHNRTSZSA-N 1 0 333.476 2.844 20 70 EFIDRO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160785592 279409790 /nfs/dbraw/zinc/40/97/90/279409790.db2.gz ZXQCNTUHIKMVEU-MSOLQXFVSA-N 1 0 338.455 2.751 20 70 EFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000159576223 290078876 /nfs/dbraw/zinc/07/88/76/290078876.db2.gz FGVARNIVRPNSOD-KBPBESRZSA-N 1 0 348.443 2.758 20 70 EFIDRO CCC(CC)(C[NH2+]CC(=O)NCc1cccc(Cl)c1)C(=O)OC ZINC000159666467 310689994 /nfs/dbraw/zinc/68/99/94/310689994.db2.gz GRSVAXSTLOFINI-UHFFFAOYSA-N 1 0 340.851 2.525 20 70 EFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000159684064 310690279 /nfs/dbraw/zinc/69/02/79/310690279.db2.gz COKILFUWYVAOJS-KGLIPLIRSA-N 1 0 336.480 2.816 20 70 EFIDRO CC(=O)Nc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000159949415 310693218 /nfs/dbraw/zinc/69/32/18/310693218.db2.gz YYYKRFSRIBTAFT-UHFFFAOYSA-N 1 0 346.475 2.661 20 70 EFIDRO CSc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1F ZINC000160408533 310698431 /nfs/dbraw/zinc/69/84/31/310698431.db2.gz WKOGDMLTPOZMEH-AWEZNQCLSA-N 1 0 340.464 2.730 20 70 EFIDRO Cc1cccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1Br ZINC000160448943 310698990 /nfs/dbraw/zinc/69/89/90/310698990.db2.gz IYMAOZTZUUXGRD-CYBMUJFWSA-N 1 0 325.250 2.828 20 70 EFIDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CCSC1 ZINC000160575291 310700376 /nfs/dbraw/zinc/70/03/76/310700376.db2.gz YXIXEAXYNFLQNR-JKIFEVAISA-N 1 0 344.521 2.622 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000160731136 310702096 /nfs/dbraw/zinc/70/20/96/310702096.db2.gz KOVPRORNOLIJAH-GFCCVEGCSA-N 1 0 341.249 2.801 20 70 EFIDRO COCCC1(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCC1 ZINC000160899339 310703704 /nfs/dbraw/zinc/70/37/04/310703704.db2.gz LBVNITAMWCYCED-OAHLLOKOSA-N 1 0 327.513 2.859 20 70 EFIDRO C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H]1c1ccccc1 ZINC000161092715 473206340 /nfs/dbraw/zinc/20/63/40/473206340.db2.gz OXOAAYQSAGADJY-PBHICJAKSA-N 1 0 327.432 2.670 20 70 EFIDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161098415 473206670 /nfs/dbraw/zinc/20/66/70/473206670.db2.gz WRTZXGAFWKNWIF-YLJYHZDGSA-N 1 0 340.467 2.837 20 70 EFIDRO C[C@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)C[NH+]1CCCC1 ZINC000161109755 473207393 /nfs/dbraw/zinc/20/73/93/473207393.db2.gz HGFYLKGNHJXVIQ-OAHLLOKOSA-N 1 0 343.475 2.527 20 70 EFIDRO COc1c(Br)c(C)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161023991 473199645 /nfs/dbraw/zinc/19/96/45/473199645.db2.gz DPMITJVBIPRXSK-DTWKUNHWSA-N 1 0 347.278 2.827 20 70 EFIDRO COc1c(Br)c(C)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161024241 473199842 /nfs/dbraw/zinc/19/98/42/473199842.db2.gz DPMITJVBIPRXSK-RKDXNWHRSA-N 1 0 347.278 2.827 20 70 EFIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccccc1CO ZINC000161137172 473211214 /nfs/dbraw/zinc/21/12/14/473211214.db2.gz RBVBEBPDHVZRRO-INIZCTEOSA-N 1 0 333.476 2.633 20 70 EFIDRO COC[C@H](NC(=O)C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000161144147 473211450 /nfs/dbraw/zinc/21/14/50/473211450.db2.gz XTKWMMUSXOYNFR-AWEZNQCLSA-N 1 0 330.350 2.509 20 70 EFIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000161195516 473216186 /nfs/dbraw/zinc/21/61/86/473216186.db2.gz KCEYQWDOPKKCCD-YQQAZPJKSA-N 1 0 336.476 2.854 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(OC)c(Br)c1 ZINC000161206838 473217165 /nfs/dbraw/zinc/21/71/65/473217165.db2.gz RNKLVFPVNTVDKB-UHFFFAOYSA-N 1 0 343.265 2.839 20 70 EFIDRO CC(C)(CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1cccc(F)c1 ZINC000161197199 473217400 /nfs/dbraw/zinc/21/74/00/473217400.db2.gz QRMGNNNVBKVSMR-SFHVURJKSA-N 1 0 326.415 2.934 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc(Cc3ccc(F)cc3)n2)C1 ZINC000161208255 473217852 /nfs/dbraw/zinc/21/78/52/473217852.db2.gz PSIQYWOKBUZLIQ-KGLIPLIRSA-N 1 0 333.432 2.873 20 70 EFIDRO C[C@]1(O)CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000161230763 473218615 /nfs/dbraw/zinc/21/86/15/473218615.db2.gz MPSDXRHEWYVOOH-ICSRJNTNSA-N 1 0 345.487 2.598 20 70 EFIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)C(CC)(CC)C[NH3+])ccc2NC1=O ZINC000161247129 473219495 /nfs/dbraw/zinc/21/94/95/473219495.db2.gz VCUMGAUXTBQCPQ-SWLSCSKDSA-N 1 0 347.459 2.738 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000161250807 473221104 /nfs/dbraw/zinc/22/11/04/473221104.db2.gz XLYQIKZZCQEXPO-KRWDZBQOSA-N 1 0 348.487 2.934 20 70 EFIDRO CCN(CC)[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)Cc1ccccc1 ZINC000161273902 473222789 /nfs/dbraw/zinc/22/27/89/473222789.db2.gz ULILQHHEVCJSLQ-CBNMVNINSA-N 1 0 345.531 2.976 20 70 EFIDRO CCN(CC)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)Cc1ccccc1 ZINC000161274031 473222938 /nfs/dbraw/zinc/22/29/38/473222938.db2.gz ULILQHHEVCJSLQ-XVAXZDLZSA-N 1 0 345.531 2.976 20 70 EFIDRO CC[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(C)cc1 ZINC000161282470 473223398 /nfs/dbraw/zinc/22/33/98/473223398.db2.gz MQYZHKXUNKRGDJ-GOSISDBHSA-N 1 0 333.476 2.544 20 70 EFIDRO CC[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(C)cc1 ZINC000161282365 473223517 /nfs/dbraw/zinc/22/35/17/473223517.db2.gz MQYZHKXUNKRGDJ-SFHVURJKSA-N 1 0 333.476 2.544 20 70 EFIDRO CCc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000161289315 473224350 /nfs/dbraw/zinc/22/43/50/473224350.db2.gz NVFXQINTWDLEOR-OAHLLOKOSA-N 1 0 343.471 2.984 20 70 EFIDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)C1 ZINC000161310088 473225602 /nfs/dbraw/zinc/22/56/02/473225602.db2.gz CVXVTGHHJARSKH-MRXNPFEDSA-N 1 0 345.487 2.672 20 70 EFIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161331107 473227637 /nfs/dbraw/zinc/22/76/37/473227637.db2.gz QTILXTKOYRBCHE-YESZJQIVSA-N 1 0 347.507 2.657 20 70 EFIDRO O=C1[C@H](N2CCOC3(CCCC3)C2)CCCN1c1ccccc1F ZINC000161390774 473232293 /nfs/dbraw/zinc/23/22/93/473232293.db2.gz QGADCLQWTIWWIF-QGZVFWFLSA-N 1 0 332.419 2.966 20 70 EFIDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1F ZINC000161405981 473232632 /nfs/dbraw/zinc/23/26/32/473232632.db2.gz YKSMAGKZQZBSTN-CQSZACIVSA-N 1 0 330.407 2.752 20 70 EFIDRO CCOc1cc(/C=C/C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000161438915 473235362 /nfs/dbraw/zinc/23/53/62/473235362.db2.gz MFGYJHLJJLZNMB-GATHVULJSA-N 1 0 344.455 2.849 20 70 EFIDRO Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCC[C@H]([NH3+])C3)o2)cc1 ZINC000161436444 473235556 /nfs/dbraw/zinc/23/55/56/473235556.db2.gz PIVCKTXOAOKPGM-HOTGVXAUSA-N 1 0 327.428 2.969 20 70 EFIDRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000161469423 473238337 /nfs/dbraw/zinc/23/83/37/473238337.db2.gz BAKSKPLFIFLLHG-KBPBESRZSA-N 1 0 335.423 2.810 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1 ZINC000161470957 473238392 /nfs/dbraw/zinc/23/83/92/473238392.db2.gz AJBSDSDDEXFDQR-UHFFFAOYSA-N 1 0 342.424 2.790 20 70 EFIDRO C[N@H+](CCCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCCC1 ZINC000161490464 473240008 /nfs/dbraw/zinc/24/00/08/473240008.db2.gz JMRCAPSOGKERFZ-KSZLIROESA-N 1 0 349.519 2.898 20 70 EFIDRO O=C(c1ccc(OCc2ccccn2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159369443 473022023 /nfs/dbraw/zinc/02/20/23/473022023.db2.gz RCIQAOWHOCVHEN-CALCHBBNSA-N 1 0 337.423 2.627 20 70 EFIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000159373768 473023258 /nfs/dbraw/zinc/02/32/58/473023258.db2.gz YXODATNIVSWNIA-CYBMUJFWSA-N 1 0 346.265 2.594 20 70 EFIDRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000159382141 473023311 /nfs/dbraw/zinc/02/33/11/473023311.db2.gz JEHZREWMGASVPW-CQSZACIVSA-N 1 0 337.851 2.812 20 70 EFIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000159395686 473024528 /nfs/dbraw/zinc/02/45/28/473024528.db2.gz RMGUTZUWKWNASA-MXWKQRLJSA-N 1 0 343.290 2.967 20 70 EFIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000159392437 473025023 /nfs/dbraw/zinc/02/50/23/473025023.db2.gz XDDHZMNKTBTHRV-HNNXBMFYSA-N 1 0 336.457 2.727 20 70 EFIDRO CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000159461400 473030214 /nfs/dbraw/zinc/03/02/14/473030214.db2.gz KRBOTMJZLSRIHS-CYBMUJFWSA-N 1 0 348.871 2.773 20 70 EFIDRO C[C@H](CC(=O)Nc1cnn(-c2ccccc2F)c1)[C@H]1CCC[NH2+]C1 ZINC000159483578 473030661 /nfs/dbraw/zinc/03/06/61/473030661.db2.gz GDFWTLOCUAKVAI-KGLIPLIRSA-N 1 0 330.407 2.976 20 70 EFIDRO [NH3+]CCC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000159485795 473031036 /nfs/dbraw/zinc/03/10/36/473031036.db2.gz HPBGMAPZXRBIGF-UHFFFAOYSA-N 1 0 338.411 2.564 20 70 EFIDRO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccccc1 ZINC000159523873 473035425 /nfs/dbraw/zinc/03/54/25/473035425.db2.gz IYBYDHQYNSUVND-BZSNNMDCSA-N 1 0 331.460 2.546 20 70 EFIDRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(F)ccc43)C2=O)n(C)n1 ZINC000159543204 473036916 /nfs/dbraw/zinc/03/69/16/473036916.db2.gz IHTHDNCJNINRHW-DLBZAZTESA-N 1 0 342.418 2.640 20 70 EFIDRO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4cc(F)ccc43)C2=O)n1 ZINC000159542527 473037194 /nfs/dbraw/zinc/03/71/94/473037194.db2.gz QLPLJNNAGOFHNX-IRXDYDNUSA-N 1 0 342.418 2.722 20 70 EFIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)CC1 ZINC000159556824 473038198 /nfs/dbraw/zinc/03/81/98/473038198.db2.gz WZMSBEGLVNQAQA-HUUCEWRRSA-N 1 0 338.398 2.944 20 70 EFIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)CC1 ZINC000159557099 473038949 /nfs/dbraw/zinc/03/89/49/473038949.db2.gz WZMSBEGLVNQAQA-LSDHHAIUSA-N 1 0 338.398 2.944 20 70 EFIDRO CCn1cc(Br)cc1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000159570789 473039770 /nfs/dbraw/zinc/03/97/70/473039770.db2.gz IMEWJXFIMZDVSD-UHFFFAOYSA-N 1 0 336.233 2.659 20 70 EFIDRO O=C(CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCCCC1 ZINC000159567182 473039959 /nfs/dbraw/zinc/03/99/59/473039959.db2.gz FJJKBUCHYIZBPL-HXUWFJFHSA-N 1 0 328.456 2.563 20 70 EFIDRO CCOc1cc(Cl)ccc1CNC(=O)NC1CC[NH+](C)CC1 ZINC000159572153 473040139 /nfs/dbraw/zinc/04/01/39/473040139.db2.gz MPKOVDFQYHZCQO-UHFFFAOYSA-N 1 0 325.840 2.632 20 70 EFIDRO C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000159586058 473041320 /nfs/dbraw/zinc/04/13/20/473041320.db2.gz WBZNEYMUXRZFGC-IAGOWNOFSA-N 1 0 325.497 2.755 20 70 EFIDRO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159578784 473042013 /nfs/dbraw/zinc/04/20/13/473042013.db2.gz SEEVFHYVPSTGEY-YOEHRIQHSA-N 1 0 329.444 2.591 20 70 EFIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)N(C)C ZINC000159600230 473042468 /nfs/dbraw/zinc/04/24/68/473042468.db2.gz WAUFWUMHYCSNKP-GFCCVEGCSA-N 1 0 343.265 2.627 20 70 EFIDRO COC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000159618940 473043662 /nfs/dbraw/zinc/04/36/62/473043662.db2.gz VFKJPECAWSBRHA-UONOGXRCSA-N 1 0 330.350 2.651 20 70 EFIDRO CC[C@@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159613776 473044114 /nfs/dbraw/zinc/04/41/14/473044114.db2.gz ZITBCWWVOIFBRD-LLVKDONJSA-N 1 0 343.265 2.966 20 70 EFIDRO CCOC(=O)CCc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000159621246 473045455 /nfs/dbraw/zinc/04/54/55/473045455.db2.gz CXYOSYLFXPZOJA-UHFFFAOYSA-N 1 0 347.459 2.790 20 70 EFIDRO O=C(COCCOc1ccccc1)NCC[NH2+]C1CCCCCC1 ZINC000159624748 473045727 /nfs/dbraw/zinc/04/57/27/473045727.db2.gz LEFBARQYUDGYAR-UHFFFAOYSA-N 1 0 334.460 2.511 20 70 EFIDRO C[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000159664332 473050003 /nfs/dbraw/zinc/05/00/03/473050003.db2.gz GJZDSFDBCDDUQQ-ZWKOTPCHSA-N 1 0 331.460 2.548 20 70 EFIDRO CC[C@@H]1CCCCN1C(=O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159671411 473050186 /nfs/dbraw/zinc/05/01/86/473050186.db2.gz SWFRPHYOYODMCE-WIYYLYMNSA-N 1 0 342.483 2.951 20 70 EFIDRO COC(=O)CC[N@H+](CCC(=O)c1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000159699908 473052946 /nfs/dbraw/zinc/05/29/46/473052946.db2.gz NQPPCCNDRXEPPD-KRWDZBQOSA-N 1 0 333.428 2.612 20 70 EFIDRO CN1CC[NH+](CCCCNC(=O)NCC2CCC(C)(C)CC2)CC1 ZINC000159712688 473053374 /nfs/dbraw/zinc/05/33/74/473053374.db2.gz VIIUYIKSHQDREF-UHFFFAOYSA-N 1 0 338.540 2.530 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N(C)CC1CCOCC1)CC(C)C ZINC000159713966 473053950 /nfs/dbraw/zinc/05/39/50/473053950.db2.gz HKEFIRPIUHJYFY-KRWDZBQOSA-N 1 0 327.513 2.811 20 70 EFIDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000159719419 473055767 /nfs/dbraw/zinc/05/57/67/473055767.db2.gz PAIACIKVAXHTTN-KRWDZBQOSA-N 1 0 347.528 2.967 20 70 EFIDRO O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159738849 473056825 /nfs/dbraw/zinc/05/68/25/473056825.db2.gz IEHLVNFZBQMNCB-HNNXBMFYSA-N 1 0 348.874 2.882 20 70 EFIDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159759807 473057523 /nfs/dbraw/zinc/05/75/23/473057523.db2.gz HPTCUAVOGJRIIP-LBPRGKRZSA-N 1 0 338.398 2.723 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccn1 ZINC000159748261 473057718 /nfs/dbraw/zinc/05/77/18/473057718.db2.gz KLYGNWIAZNRUGD-HZPDHXFCSA-N 1 0 348.491 2.788 20 70 EFIDRO Cc1nn(C)cc1C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000159770915 473059312 /nfs/dbraw/zinc/05/93/12/473059312.db2.gz DUACDVCFMSCFEH-GOSISDBHSA-N 1 0 348.878 2.545 20 70 EFIDRO COc1ccc(COCCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159786457 473061129 /nfs/dbraw/zinc/06/11/29/473061129.db2.gz UNDSDHWGWQDLAR-UHFFFAOYSA-N 1 0 346.471 2.593 20 70 EFIDRO Cc1cccc([C@H]2CCCN2Cc2csc(CC(=O)N(C)C)n2)n1 ZINC000159844758 473066221 /nfs/dbraw/zinc/06/62/21/473066221.db2.gz KTONRXSQMVHCIG-MRXNPFEDSA-N 1 0 344.484 2.814 20 70 EFIDRO CCCCOc1cccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159859889 473067062 /nfs/dbraw/zinc/06/70/62/473067062.db2.gz YRHOPIFBEAIQKZ-MJGOQNOKSA-N 1 0 348.487 2.575 20 70 EFIDRO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000159891221 473070321 /nfs/dbraw/zinc/07/03/21/473070321.db2.gz NSZBGILSCJLUSY-GJZGRUSLSA-N 1 0 338.398 2.994 20 70 EFIDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000159902497 473071146 /nfs/dbraw/zinc/07/11/46/473071146.db2.gz UYVPNRVIMHGPNY-YVSFHVDLSA-N 1 0 339.524 2.545 20 70 EFIDRO Cc1cnccc1CCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000159902085 473071346 /nfs/dbraw/zinc/07/13/46/473071346.db2.gz MRKZEGSNQJMVRB-IYBDPMFKSA-N 1 0 346.519 2.988 20 70 EFIDRO CCCC1(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCC1 ZINC000159909545 473071675 /nfs/dbraw/zinc/07/16/75/473071675.db2.gz CZFLIZQMEOJAKF-QGZVFWFLSA-N 1 0 338.540 2.528 20 70 EFIDRO Cc1noc(Cl)c1CC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000159907398 473072238 /nfs/dbraw/zinc/07/22/38/473072238.db2.gz HREUFYSMXWJPKM-LBPRGKRZSA-N 1 0 347.846 2.742 20 70 EFIDRO Cc1ccccc1CCC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159929436 473072764 /nfs/dbraw/zinc/07/27/64/473072764.db2.gz IRNAMESLBIRYPZ-UHFFFAOYSA-N 1 0 332.488 2.744 20 70 EFIDRO Cn1cc(C[C@H]2CC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)cn1 ZINC000159959598 473075275 /nfs/dbraw/zinc/07/52/75/473075275.db2.gz MUTARVGVJPQRHB-QGZVFWFLSA-N 1 0 346.519 2.569 20 70 EFIDRO CCCCCN(CCO)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159952739 473075599 /nfs/dbraw/zinc/07/55/99/473075599.db2.gz AHLNDFIVXSRIAF-PKOBYXMFSA-N 1 0 347.503 2.701 20 70 EFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@](C)(O)C1 ZINC000159989901 473079154 /nfs/dbraw/zinc/07/91/54/473079154.db2.gz CAJNQHAXAAAPAB-IBGZPJMESA-N 1 0 333.476 2.585 20 70 EFIDRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1CCC[NH2+]C1 ZINC000159999281 473079555 /nfs/dbraw/zinc/07/95/55/473079555.db2.gz QCNPKRMNQKTETI-NSHDSACASA-N 1 0 338.333 2.829 20 70 EFIDRO CCC(CC)(CO)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160016574 473080042 /nfs/dbraw/zinc/08/00/42/473080042.db2.gz BTTLQMSRSKGYPA-WMZOPIPTSA-N 1 0 347.503 2.605 20 70 EFIDRO CCCCNC(=O)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000160059287 473084072 /nfs/dbraw/zinc/08/40/72/473084072.db2.gz OZXPLQSSIIUSHQ-UHFFFAOYSA-N 1 0 345.487 2.517 20 70 EFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(CCOC)CCCC1 ZINC000160103247 473086754 /nfs/dbraw/zinc/08/67/54/473086754.db2.gz XDIPZADASVVIAQ-INIZCTEOSA-N 1 0 325.497 2.757 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)N(CCCCO)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160119410 473089816 /nfs/dbraw/zinc/08/98/16/473089816.db2.gz VPWVCSQBJNVQJH-FUHWJXTLSA-N 1 0 345.487 2.596 20 70 EFIDRO Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160145920 473090711 /nfs/dbraw/zinc/09/07/11/473090711.db2.gz CYRNRMZGELECDU-MRXNPFEDSA-N 1 0 340.464 2.773 20 70 EFIDRO CCn1nc(C)c(CNc2ccc(OC3CC[NH+](C)CC3)nc2)c1C ZINC000160148258 473090760 /nfs/dbraw/zinc/09/07/60/473090760.db2.gz LCXHYSCSEBPPDB-UHFFFAOYSA-N 1 0 343.475 3.000 20 70 EFIDRO CC(C)OC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160178827 473093891 /nfs/dbraw/zinc/09/38/91/473093891.db2.gz BYABAWDRFMVFJN-CQSZACIVSA-N 1 0 326.481 2.543 20 70 EFIDRO CCCCn1ncc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000160195676 473095206 /nfs/dbraw/zinc/09/52/06/473095206.db2.gz UURBXKGIGBOSEH-RDJZCZTQSA-N 1 0 333.480 2.940 20 70 EFIDRO COCc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000160195606 473095843 /nfs/dbraw/zinc/09/58/43/473095843.db2.gz PXBJHYNUNRETBT-UHFFFAOYSA-N 1 0 333.476 2.849 20 70 EFIDRO CCc1cccc(CC(=O)NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000160202547 473096392 /nfs/dbraw/zinc/09/63/92/473096392.db2.gz QPLZICXYGSBKKM-UHFFFAOYSA-N 1 0 332.488 2.797 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160227445 473097949 /nfs/dbraw/zinc/09/79/49/473097949.db2.gz FBXXGEMUJYRKFH-SJLPKXTDSA-N 1 0 345.443 2.556 20 70 EFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000160226120 473098553 /nfs/dbraw/zinc/09/85/53/473098553.db2.gz XDUPRGFDLWSIRF-GOEBONIOSA-N 1 0 349.500 2.764 20 70 EFIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160227727 473098655 /nfs/dbraw/zinc/09/86/55/473098655.db2.gz FBXXGEMUJYRKFH-AEFFLSMTSA-N 1 0 345.443 2.556 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nnnn1-c1ccccc1 ZINC000160233941 473098958 /nfs/dbraw/zinc/09/89/58/473098958.db2.gz YQNYIJWSGNQAOJ-YJBOKZPZSA-N 1 0 334.427 2.595 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nnnn1-c1ccccc1 ZINC000160233814 473099185 /nfs/dbraw/zinc/09/91/85/473099185.db2.gz YQNYIJWSGNQAOJ-QAPCUYQASA-N 1 0 334.427 2.595 20 70 EFIDRO Cn1ccnc1-c1cccc(NC(=O)c2cccc3c2oc(=O)n3C)c1 ZINC000160322500 473108199 /nfs/dbraw/zinc/10/81/99/473108199.db2.gz DGJKNYKCCGQHHC-UHFFFAOYSA-N 1 0 348.362 2.784 20 70 EFIDRO CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)[C@H]1CCOC1 ZINC000160326295 473108515 /nfs/dbraw/zinc/10/85/15/473108515.db2.gz AAQJAYYLYMGCEQ-SFTDATJTSA-N 1 0 345.531 2.729 20 70 EFIDRO C[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)N1CCc2ccccc2C1 ZINC000160337544 473109466 /nfs/dbraw/zinc/10/94/66/473109466.db2.gz CEIHSCVZDISCKI-AWEZNQCLSA-N 1 0 338.407 2.825 20 70 EFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160341010 473110156 /nfs/dbraw/zinc/11/01/56/473110156.db2.gz LUSKNCZXOLAUQW-ZWKOTPCHSA-N 1 0 339.524 2.953 20 70 EFIDRO CN(C)C(=O)c1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)ccc1F ZINC000160356687 473111101 /nfs/dbraw/zinc/11/11/01/473111101.db2.gz LLTYTLRQWHVKGN-QGZVFWFLSA-N 1 0 343.402 2.946 20 70 EFIDRO O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000160383320 473114111 /nfs/dbraw/zinc/11/41/11/473114111.db2.gz NCJACRRBGCFBKV-MOPGFXCFSA-N 1 0 342.487 2.878 20 70 EFIDRO O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000160383576 473114356 /nfs/dbraw/zinc/11/43/56/473114356.db2.gz NCJACRRBGCFBKV-OALUTQOASA-N 1 0 342.487 2.878 20 70 EFIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160387504 473116017 /nfs/dbraw/zinc/11/60/17/473116017.db2.gz NEMZDOCAKNVRBB-PKOBYXMFSA-N 1 0 326.415 2.787 20 70 EFIDRO CN(Cc1cccn1C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000160391588 473116632 /nfs/dbraw/zinc/11/66/32/473116632.db2.gz JAEOCNFOGGXJPR-UHFFFAOYSA-N 1 0 343.496 2.846 20 70 EFIDRO O=C(c1ccccc1F)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000160419337 473121447 /nfs/dbraw/zinc/12/14/47/473121447.db2.gz QMTHLGMCGJHLQB-UHFFFAOYSA-N 1 0 347.478 2.850 20 70 EFIDRO CCN(C(=O)NCC(C)(C)OC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160431495 473123921 /nfs/dbraw/zinc/12/39/21/473123921.db2.gz HEZUAEJYHKGLIC-KRWDZBQOSA-N 1 0 333.476 2.717 20 70 EFIDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160437155 473124044 /nfs/dbraw/zinc/12/40/44/473124044.db2.gz DHUZTWZEFGMHKY-LLVKDONJSA-N 1 0 335.370 2.717 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC2CCCC2)c1 ZINC000160440374 473125365 /nfs/dbraw/zinc/12/53/65/473125365.db2.gz KXGRCOWUOPNHGK-QGZVFWFLSA-N 1 0 346.471 2.585 20 70 EFIDRO C[C@@H](CN1CCOCC1)[N@H+](CCOCC1CC1)Cc1ccccc1 ZINC000160457585 473128337 /nfs/dbraw/zinc/12/83/37/473128337.db2.gz XGMWBBOUDTUSTM-SFHVURJKSA-N 1 0 332.488 2.636 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(Br)ccc1OC ZINC000160500027 473133872 /nfs/dbraw/zinc/13/38/72/473133872.db2.gz NCTMBNNJQYSHQE-UHFFFAOYSA-N 1 0 329.238 2.705 20 70 EFIDRO Cc1cc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)ccc1C(=O)N(C)C ZINC000160517229 473136746 /nfs/dbraw/zinc/13/67/46/473136746.db2.gz CZHLVOVDUYIGBB-RDTXWAMCSA-N 1 0 339.439 2.971 20 70 EFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(OC(F)F)c1 ZINC000160560650 473141705 /nfs/dbraw/zinc/14/17/05/473141705.db2.gz QYRGILJDOKUVRD-QMMMGPOBSA-N 1 0 326.265 2.617 20 70 EFIDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cn1 ZINC000160568988 473143183 /nfs/dbraw/zinc/14/31/83/473143183.db2.gz KMWREPLESMDSTJ-MRXNPFEDSA-N 1 0 328.460 2.586 20 70 EFIDRO O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000160574892 473144890 /nfs/dbraw/zinc/14/48/90/473144890.db2.gz SKODHJSQBFDBPA-RBUKOAKNSA-N 1 0 349.519 2.852 20 70 EFIDRO CC(C)CC1(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCC1 ZINC000160614338 473152332 /nfs/dbraw/zinc/15/23/32/473152332.db2.gz YZPRTYIWFYXPNB-MOPGFXCFSA-N 1 0 344.499 2.954 20 70 EFIDRO CN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCc2ccccc2C1 ZINC000160627945 473153913 /nfs/dbraw/zinc/15/39/13/473153913.db2.gz JAOHJWVIMJIGSE-OALUTQOASA-N 1 0 327.472 2.670 20 70 EFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccc(F)c1)C1CC1 ZINC000160636461 473155694 /nfs/dbraw/zinc/15/56/94/473155694.db2.gz HDTZWCOVZFBWOZ-KRWDZBQOSA-N 1 0 331.435 2.984 20 70 EFIDRO CCOc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160645350 473156182 /nfs/dbraw/zinc/15/61/82/473156182.db2.gz ZUBOQPRPJXFJRP-OALUTQOASA-N 1 0 346.471 2.583 20 70 EFIDRO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000160665547 473157414 /nfs/dbraw/zinc/15/74/14/473157414.db2.gz POVBGEMDJJFFHR-LBPRGKRZSA-N 1 0 337.261 2.972 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccn(-c3ccccc3)n2)cc1 ZINC000160700819 473162741 /nfs/dbraw/zinc/16/27/41/473162741.db2.gz PEMLXVKNYHAVEK-UHFFFAOYSA-N 1 0 334.423 2.864 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000160733229 473167246 /nfs/dbraw/zinc/16/72/46/473167246.db2.gz GQDNBGGHDABYIW-UHFFFAOYSA-N 1 0 341.249 2.659 20 70 EFIDRO CCCC[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160755365 473171101 /nfs/dbraw/zinc/17/11/01/473171101.db2.gz VXLKCEGUUQQOLM-GOSISDBHSA-N 1 0 347.484 2.662 20 70 EFIDRO COCC[N@H+](C)CC[C@@H](NC(=O)NC1(C)CCC1)c1ccccc1 ZINC000160772152 473174071 /nfs/dbraw/zinc/17/40/71/473174071.db2.gz BCKRSYKZJMADPO-QGZVFWFLSA-N 1 0 333.476 2.938 20 70 EFIDRO Cc1ccc2c(c1)[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)CO2 ZINC000160791580 473174525 /nfs/dbraw/zinc/17/45/25/473174525.db2.gz BIPKOCDZJFSHTJ-DOTOQJQBSA-N 1 0 331.460 2.992 20 70 EFIDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160785703 473174743 /nfs/dbraw/zinc/17/47/43/473174743.db2.gz ZXQCNTUHIKMVEU-ROUUACIJSA-N 1 0 338.455 2.751 20 70 EFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000160814300 473178809 /nfs/dbraw/zinc/17/88/09/473178809.db2.gz KSGXSHUYDDNAKK-HOCLYGCPSA-N 1 0 331.464 2.663 20 70 EFIDRO Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2F)n1 ZINC000160828568 473179402 /nfs/dbraw/zinc/17/94/02/473179402.db2.gz WYGJSHRNKDVXBT-GJZGRUSLSA-N 1 0 330.407 2.628 20 70 EFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(OC(C)(C)C)CC1 ZINC000160827276 473180053 /nfs/dbraw/zinc/18/00/53/473180053.db2.gz XEJAVBYPBZTIBO-QGZVFWFLSA-N 1 0 340.508 2.586 20 70 EFIDRO Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000160832427 473181313 /nfs/dbraw/zinc/18/13/13/473181313.db2.gz QRZGPCUOEDBEGC-SJLPKXTDSA-N 1 0 345.491 2.555 20 70 EFIDRO Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000160840498 473181597 /nfs/dbraw/zinc/18/15/97/473181597.db2.gz QCCKBQGRKYIMSX-QZTJIDSGSA-N 1 0 326.444 2.548 20 70 EFIDRO CCCC(O)(CCC)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160857136 473183280 /nfs/dbraw/zinc/18/32/80/473183280.db2.gz IVFUVNSXZHJIJK-OAHLLOKOSA-N 1 0 325.497 2.634 20 70 EFIDRO CCOC(=O)C1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC1 ZINC000160861725 473184354 /nfs/dbraw/zinc/18/43/54/473184354.db2.gz FNDZNGWLJNZLRS-UHFFFAOYSA-N 1 0 344.455 2.997 20 70 EFIDRO COc1ccccc1CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160881852 473186727 /nfs/dbraw/zinc/18/67/27/473186727.db2.gz FMEVOUHTPNUZNB-UHFFFAOYSA-N 1 0 331.504 2.689 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000160882636 473187492 /nfs/dbraw/zinc/18/74/92/473187492.db2.gz UDXGWUDJVGLMNA-WMZOPIPTSA-N 1 0 337.423 2.939 20 70 EFIDRO Cc1nnc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1C1CC1 ZINC000160914411 473191093 /nfs/dbraw/zinc/19/10/93/473191093.db2.gz HRWQXBRTQOOEDZ-OAHLLOKOSA-N 1 0 326.448 2.559 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000160925645 473191630 /nfs/dbraw/zinc/19/16/30/473191630.db2.gz STZWSCDWAHIJBN-UHFFFAOYSA-N 1 0 345.830 2.770 20 70 EFIDRO CC(C)NC(=O)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000160921365 473191704 /nfs/dbraw/zinc/19/17/04/473191704.db2.gz GIDVETCQNTVDKC-ZDUSSCGKSA-N 1 0 329.213 2.690 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOc2cccc(Br)c2)C1 ZINC000160942441 473193641 /nfs/dbraw/zinc/19/36/41/473193641.db2.gz JSWAUEDSKZQVQW-OLZOCXBDSA-N 1 0 341.249 2.604 20 70 EFIDRO CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1 ZINC000160947543 473193703 /nfs/dbraw/zinc/19/37/03/473193703.db2.gz PAGUCXFSEVXRQH-GOSISDBHSA-N 1 0 339.439 2.533 20 70 EFIDRO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161030762 473200840 /nfs/dbraw/zinc/20/08/40/473200840.db2.gz MABJZLDFTCNMKY-ILZDJORESA-N 1 0 330.472 2.627 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)C1 ZINC000161049745 473201856 /nfs/dbraw/zinc/20/18/56/473201856.db2.gz GJEZAQVAFQAXMC-IKJBURDNSA-N 1 0 349.519 2.628 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)C1 ZINC000161049976 473201891 /nfs/dbraw/zinc/20/18/91/473201891.db2.gz GJEZAQVAFQAXMC-FPQWYMTMSA-N 1 0 349.519 2.628 20 70 EFIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000161050096 473202082 /nfs/dbraw/zinc/20/20/82/473202082.db2.gz JSPIFKBLDMZKCD-KSZLIROESA-N 1 0 347.503 2.604 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C1 ZINC000161056895 473202926 /nfs/dbraw/zinc/20/29/26/473202926.db2.gz FPFGYPVOVBSVFN-NWDGAFQWSA-N 1 0 345.424 2.539 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000161066622 473203383 /nfs/dbraw/zinc/20/33/83/473203383.db2.gz NRCGXHUCUIYDTN-HZPDHXFCSA-N 1 0 336.863 2.774 20 70 EFIDRO Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCC[C@H]([NH3+])C3)n2)cc1F ZINC000161061192 473203538 /nfs/dbraw/zinc/20/35/38/473203538.db2.gz SNZPSPXAHMTBPC-KBPBESRZSA-N 1 0 346.406 2.503 20 70 EFIDRO CCOC(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000217105670 474141520 /nfs/dbraw/zinc/14/15/20/474141520.db2.gz JXLBOLLFORRHKU-UHFFFAOYSA-N 1 0 336.435 2.937 20 70 EFIDRO Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000217141858 474142472 /nfs/dbraw/zinc/14/24/72/474142472.db2.gz UKNUSDVRBQEKBX-PKOBYXMFSA-N 1 0 329.488 2.812 20 70 EFIDRO CCCCC[N@H+](CC(=O)N1CCN(C)CC1)Cc1ccc(F)cc1 ZINC000216721447 520155335 /nfs/dbraw/zinc/15/53/35/520155335.db2.gz FVGZMPAMVYOWAP-UHFFFAOYSA-N 1 0 335.467 2.592 20 70 EFIDRO [NH3+]C1(CNC(=O)Cc2csc(-c3ccccn3)n2)CCCCC1 ZINC000159523372 534537168 /nfs/dbraw/zinc/53/71/68/534537168.db2.gz RUJWYAZGHDPBBN-UHFFFAOYSA-N 1 0 330.457 2.525 20 70 EFIDRO CCc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cnn1CC(C)C ZINC000159726785 523687724 /nfs/dbraw/zinc/68/77/24/523687724.db2.gz FPFJAFXHFASCEX-CRAIPNDOSA-N 1 0 332.492 2.658 20 70 EFIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000161364136 526528784 /nfs/dbraw/zinc/52/87/84/526528784.db2.gz XKWRHEJVAGMYFE-CQSZACIVSA-N 1 0 341.455 2.660 20 70 EFIDRO CC(=O)Nc1ccc(CC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159648742 526963677 /nfs/dbraw/zinc/96/36/77/526963677.db2.gz NNQSLFMYLKHXPU-UHFFFAOYSA-N 1 0 331.460 2.616 20 70 EFIDRO O=S(=O)(CC1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160130069 527166714 /nfs/dbraw/zinc/16/67/14/527166714.db2.gz CJXQYCINCDQDQN-KRWDZBQOSA-N 1 0 328.522 2.847 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCc1ccncc1 ZINC000161021970 527967332 /nfs/dbraw/zinc/96/73/32/527967332.db2.gz OCTLTNQMDVGCFW-SFHVURJKSA-N 1 0 332.492 2.776 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCO)Cc1ccccc1 ZINC000160938520 527968422 /nfs/dbraw/zinc/96/84/22/527968422.db2.gz VRHMJNYBGCYVPC-IBGZPJMESA-N 1 0 347.503 2.701 20 70 EFIDRO CCN(CCCNC(=O)N1CCC[N@H+](CC)CC1)c1ccccc1 ZINC000159557182 528453479 /nfs/dbraw/zinc/45/34/79/528453479.db2.gz MUWYOLCENQBDOU-UHFFFAOYSA-N 1 0 332.492 2.640 20 70 EFIDRO CC(C)c1noc2ncc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cc21 ZINC000159851957 528513104 /nfs/dbraw/zinc/51/31/04/528513104.db2.gz WIVVMSSBYNMQPO-UHFFFAOYSA-N 1 0 342.443 2.950 20 70 EFIDRO CCC(CC)(CCO)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160934773 528641403 /nfs/dbraw/zinc/64/14/03/528641403.db2.gz QUISDPFJWWYAJH-KRWDZBQOSA-N 1 0 341.540 2.985 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000161217573 528649419 /nfs/dbraw/zinc/64/94/19/528649419.db2.gz IQPQNKMHFXHDQA-KRWDZBQOSA-N 1 0 336.451 2.863 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000160015173 529030023 /nfs/dbraw/zinc/03/00/23/529030023.db2.gz BBYYEQSBWUGZPK-MOPGFXCFSA-N 1 0 345.487 2.862 20 70 EFIDRO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCC([NH3+])(CC)CC ZINC000160439025 529444710 /nfs/dbraw/zinc/44/47/10/529444710.db2.gz LACUFYBDQQIRDO-CYBMUJFWSA-N 1 0 331.464 2.958 20 70 EFIDRO CC[C@@H](CC(=O)NC1CC[NH+](CCOC)CC1)c1ccc(OC)cc1 ZINC000161349707 529450285 /nfs/dbraw/zinc/45/02/85/529450285.db2.gz VETRANGOFBSMLA-INIZCTEOSA-N 1 0 348.487 2.806 20 70 EFIDRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)Oc1ccccc1F ZINC000159437693 529478561 /nfs/dbraw/zinc/47/85/61/529478561.db2.gz QIKDFOBNWHXNCB-HNNXBMFYSA-N 1 0 339.455 2.965 20 70 EFIDRO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159775789 529839092 /nfs/dbraw/zinc/83/90/92/529839092.db2.gz HOVNSEFCBYCHMB-RISCZKNCSA-N 1 0 330.350 2.737 20 70 EFIDRO C[NH2+]CC(=O)N[C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000160999593 529956657 /nfs/dbraw/zinc/95/66/57/529956657.db2.gz NHBWUUOKFHRUSK-LJQANCHMSA-N 1 0 326.440 2.931 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000161203800 529990272 /nfs/dbraw/zinc/99/02/72/529990272.db2.gz MGGGTEAULALKQT-KRWDZBQOSA-N 1 0 334.423 2.850 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(CCc2ccccc2)n1 ZINC000161258922 529990504 /nfs/dbraw/zinc/99/05/04/529990504.db2.gz VDKWUBKBQSVHBD-HNNXBMFYSA-N 1 0 329.469 2.752 20 70 EFIDRO COCC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)CC(C)C ZINC000160581405 239054333 /nfs/dbraw/zinc/05/43/33/239054333.db2.gz QOFUWKAYWPPOKS-UHFFFAOYSA-N 1 0 346.427 2.742 20 70 EFIDRO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000218674743 241337399 /nfs/dbraw/zinc/33/73/99/241337399.db2.gz BOFMBBPXGKGGPP-HUUCEWRRSA-N 1 0 329.444 2.872 20 70 EFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160759467 284494743 /nfs/dbraw/zinc/49/47/43/284494743.db2.gz ZDOLBFPUCWKNIZ-WMZOPIPTSA-N 1 0 345.487 2.587 20 70 EFIDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000159516217 532970471 /nfs/dbraw/zinc/97/04/71/532970471.db2.gz ZIUCBYNEMMIUIL-CHWSQXEVSA-N 1 0 338.473 2.906 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 ZINC000160320552 258015239 /nfs/dbraw/zinc/01/52/39/258015239.db2.gz XIWYHWXYNIGWLL-VEGGFIAOSA-N 1 0 337.423 2.624 20 70 EFIDRO C[C@@H](C(=O)Nc1cnn(CC(F)(F)F)c1)[C@H]([NH3+])c1ccccc1 ZINC000159695537 533342706 /nfs/dbraw/zinc/34/27/06/533342706.db2.gz WRHVCKUGOFVONM-MFKMUULPSA-N 1 0 326.322 2.720 20 70 EFIDRO COc1ccc(C(F)(F)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000160242725 533369633 /nfs/dbraw/zinc/36/96/33/533369633.db2.gz AGYNAWPNPZCSET-UHFFFAOYSA-N 1 0 326.387 2.776 20 70 EFIDRO COc1cccc(-c2nc(C)c(C(=O)NCC(C)(C)C[NH+](C)C)[nH]2)c1 ZINC000160334288 533371966 /nfs/dbraw/zinc/37/19/66/533371966.db2.gz ZNGVNUVHNVIONA-UHFFFAOYSA-N 1 0 344.459 2.711 20 70 EFIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000159408512 533401048 /nfs/dbraw/zinc/40/10/48/533401048.db2.gz WYNIQKMOFRATFR-KRWDZBQOSA-N 1 0 347.484 2.529 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160126094 533602378 /nfs/dbraw/zinc/60/23/78/533602378.db2.gz OKBVMLWVEDCVSB-IAGOWNOFSA-N 1 0 336.501 2.667 20 70 EFIDRO Cc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1Br ZINC000159745850 533594562 /nfs/dbraw/zinc/59/45/62/533594562.db2.gz NJDDARCEORVVQR-UHFFFAOYSA-N 1 0 325.250 2.845 20 70 EFIDRO COc1cccc(NC(=O)CC[NH+]2CCN(c3cccs3)CC2)c1 ZINC000160311688 533595604 /nfs/dbraw/zinc/59/56/04/533595604.db2.gz NGYZLFOTOGCMGO-UHFFFAOYSA-N 1 0 345.468 2.908 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000160262107 533607386 /nfs/dbraw/zinc/60/73/86/533607386.db2.gz VVIAAYQKWIGPSC-NZSAHSFTSA-N 1 0 345.487 2.717 20 70 EFIDRO COc1cc(C)cc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000160246697 533635403 /nfs/dbraw/zinc/63/54/03/533635403.db2.gz ZXDMFNQFGCYVPA-INIZCTEOSA-N 1 0 333.476 2.781 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1cccc(F)c1 ZINC000159494819 225227705 /nfs/dbraw/zinc/22/77/05/225227705.db2.gz OFFWSEYBRVZTAD-KSZLIROESA-N 1 0 349.450 2.685 20 70 EFIDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc2[nH]cnc21 ZINC000159400924 225210133 /nfs/dbraw/zinc/21/01/33/225210133.db2.gz XWOLSYWLBXWRCS-QGZVFWFLSA-N 1 0 348.450 2.857 20 70 EFIDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)NC(=O)NCc1cccs1 ZINC000159412271 225212246 /nfs/dbraw/zinc/21/22/46/225212246.db2.gz UZQBDPMPHLLVBT-CYBMUJFWSA-N 1 0 331.441 2.733 20 70 EFIDRO Cc1c(/C=C/C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC000159443881 225217975 /nfs/dbraw/zinc/21/79/75/225217975.db2.gz WJHJIAGQWAMFTG-HABDOHHLSA-N 1 0 332.492 2.616 20 70 EFIDRO Cc1cc(=O)oc2cc(OCC[N@@H+](C)C[C@H]3CCC[C@@H]3O)ccc12 ZINC000159743819 225269534 /nfs/dbraw/zinc/26/95/34/225269534.db2.gz ABSNCZPKPMNWOI-PBHICJAKSA-N 1 0 331.412 2.573 20 70 EFIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnc(-n2cccn2)c1 ZINC000159936044 225306280 /nfs/dbraw/zinc/30/62/80/225306280.db2.gz HOUUMELLSMYBQK-MRXNPFEDSA-N 1 0 341.459 2.652 20 70 EFIDRO C[C@]1(O)CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000159992738 225315798 /nfs/dbraw/zinc/31/57/98/225315798.db2.gz DQYYENXMBTURBN-FQEVSTJZSA-N 1 0 345.487 2.729 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc2c(c1)NC(=O)CS2 ZINC000159617790 225250036 /nfs/dbraw/zinc/25/00/36/225250036.db2.gz KQRGQNKEZYNIBN-UHFFFAOYSA-N 1 0 347.484 2.773 20 70 EFIDRO C[C@@H]1[C@H](C)OCCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159629176 225251569 /nfs/dbraw/zinc/25/15/69/225251569.db2.gz SBWPXNWNDQOUDJ-RYRKJORJSA-N 1 0 331.460 2.642 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)C[C@H]1CSCCS1)c1ccc(F)cc1 ZINC000159658795 225256796 /nfs/dbraw/zinc/25/67/96/225256796.db2.gz HVFXAYHQNRYPIF-LSDHHAIUSA-N 1 0 342.505 2.783 20 70 EFIDRO C[C@H](C(=O)Nc1cnn(CC(F)(F)F)c1)[C@H]([NH3+])c1ccccc1 ZINC000159695399 225260928 /nfs/dbraw/zinc/26/09/28/225260928.db2.gz WRHVCKUGOFVONM-GWCFXTLKSA-N 1 0 326.322 2.720 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncnc2nc(N)ccc21 ZINC000160247687 225372015 /nfs/dbraw/zinc/37/20/15/225372015.db2.gz SFBMVIDUVGEBNT-CJNGLKHVSA-N 1 0 334.427 2.539 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000160347942 225394246 /nfs/dbraw/zinc/39/42/46/225394246.db2.gz GWYVIBSRGLDIOO-LPHOPBHVSA-N 1 0 338.455 2.886 20 70 EFIDRO O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160125952 225342983 /nfs/dbraw/zinc/34/29/83/225342983.db2.gz IUQOCUCRDKEFRC-OAHLLOKOSA-N 1 0 342.892 2.979 20 70 EFIDRO Cc1ccc([C@@H](CNC(=O)c2ccnn2C(C)C)[NH+]2CCCC2)o1 ZINC000160134575 225344599 /nfs/dbraw/zinc/34/45/99/225344599.db2.gz SVVPDQOCAZHAHF-MRXNPFEDSA-N 1 0 330.432 2.932 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C(=O)N(C)C)cn1 ZINC000160220011 225363250 /nfs/dbraw/zinc/36/32/50/225363250.db2.gz PFGQQSSKBYWSOM-YJBOKZPZSA-N 1 0 338.455 2.716 20 70 EFIDRO COCCc1nsc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160217375 225363514 /nfs/dbraw/zinc/36/35/14/225363514.db2.gz WZWWFPYUGYNVMK-ZFWWWQNUSA-N 1 0 332.473 2.659 20 70 EFIDRO Cc1nccn1-c1cncc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160222838 225364982 /nfs/dbraw/zinc/36/49/82/225364982.db2.gz BMFOIQVCIPQHTL-MAUKXSAKSA-N 1 0 348.454 2.903 20 70 EFIDRO CCN(C[C@@H]1CCOC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159999367 544800988 /nfs/dbraw/zinc/80/09/88/544800988.db2.gz FWFZGRMOYHDYMN-YTQUADARSA-N 1 0 345.487 2.575 20 70 EFIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)cn1 ZINC000160031529 544801616 /nfs/dbraw/zinc/80/16/16/544801616.db2.gz GRPXVCHRANWZEK-AWEZNQCLSA-N 1 0 338.415 2.695 20 70 EFIDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000160024051 544801850 /nfs/dbraw/zinc/80/18/50/544801850.db2.gz DGDXBAVGOIQIOR-AWEZNQCLSA-N 1 0 333.432 2.788 20 70 EFIDRO O=C(CCCc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160288650 544804356 /nfs/dbraw/zinc/80/43/56/544804356.db2.gz MICWEAAPUMZFAG-VQTJNVASSA-N 1 0 344.499 2.893 20 70 EFIDRO CSc1ccc(NC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1Cl ZINC000160347966 544805089 /nfs/dbraw/zinc/80/50/89/544805089.db2.gz QTGRVQUEKKEQTN-GXFFZTMASA-N 1 0 343.880 2.903 20 70 EFIDRO CS(=O)(=O)CCCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000161242973 544810916 /nfs/dbraw/zinc/81/09/16/544810916.db2.gz WBIQTDZBBDNHKV-CQSZACIVSA-N 1 0 331.503 2.554 20 70 EFIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000161287560 544811072 /nfs/dbraw/zinc/81/10/72/544811072.db2.gz TTZWRTYXXYAEHI-UHFFFAOYSA-N 1 0 348.809 2.635 20 70 EFIDRO CSc1cccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161305294 544812353 /nfs/dbraw/zinc/81/23/53/544812353.db2.gz OFWBSBJONASSIC-UHFFFAOYSA-N 1 0 342.468 2.564 20 70 EFIDRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000161305124 544812868 /nfs/dbraw/zinc/81/28/68/544812868.db2.gz FKUUCWFCBNYAGU-LBPRGKRZSA-N 1 0 337.851 2.616 20 70 EFIDRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161382164 544813967 /nfs/dbraw/zinc/81/39/67/544813967.db2.gz KBRCWGLOJSJUKC-ZDUSSCGKSA-N 1 0 346.381 2.509 20 70 EFIDRO CC[C@@H](OC1CCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159501534 544796570 /nfs/dbraw/zinc/79/65/70/544796570.db2.gz IMUZZCRTIGHISB-GOSISDBHSA-N 1 0 331.460 2.858 20 70 EFIDRO C[C@H](OC1CCCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159499122 544796783 /nfs/dbraw/zinc/79/67/83/544796783.db2.gz TYSZKOYNCAGJOS-INIZCTEOSA-N 1 0 331.460 2.858 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)C1 ZINC000160686068 264741117 /nfs/dbraw/zinc/74/11/17/264741117.db2.gz XTYIOGWDQNRNFZ-HNNXBMFYSA-N 1 0 328.387 2.935 20 70 EFIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160378405 273022086 /nfs/dbraw/zinc/02/20/86/273022086.db2.gz YGJIRFRYJFTTIT-SQNIBIBYSA-N 1 0 335.492 2.604 20 70 EFIDRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000161226878 274205979 /nfs/dbraw/zinc/20/59/79/274205979.db2.gz HHZKAMYHUQOUQD-GXFFZTMASA-N 1 0 341.249 2.729 20 70 EFIDRO Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160443678 274735424 /nfs/dbraw/zinc/73/54/24/274735424.db2.gz DDSSRDVLXOMLNC-WNGAPAKLSA-N 1 0 342.483 2.892 20 70 EFIDRO CC(C)(C)O[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160816439 277218767 /nfs/dbraw/zinc/21/87/67/277218767.db2.gz PSXKGYVCSDUTBO-MSOLQXFVSA-N 1 0 348.487 2.506 20 70 EFIDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000161370674 279250358 /nfs/dbraw/zinc/25/03/58/279250358.db2.gz TWVHLOLYZHFADV-BXKDBHETSA-N 1 0 327.222 2.516 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000160974888 279286181 /nfs/dbraw/zinc/28/61/81/279286181.db2.gz QJXSVCUFNHBMOF-MSOLQXFVSA-N 1 0 331.460 2.644 20 70 EFIDRO CCCN(CC)c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000159379800 310686482 /nfs/dbraw/zinc/68/64/82/310686482.db2.gz ZKBJGGMBOXZIHU-UHFFFAOYSA-N 1 0 330.476 2.675 20 70 EFIDRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000159485346 310687675 /nfs/dbraw/zinc/68/76/75/310687675.db2.gz MFRVYWBIPZMBRN-XHSDSOJGSA-N 1 0 336.476 2.933 20 70 EFIDRO C[C@@]1(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCO1 ZINC000160061614 310694427 /nfs/dbraw/zinc/69/44/27/310694427.db2.gz IMBDMCRAMXVYGI-IBGZPJMESA-N 1 0 337.508 2.853 20 70 EFIDRO CC(C)(C)c1ccc(CCC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160654942 310701249 /nfs/dbraw/zinc/70/12/49/310701249.db2.gz KRZVDTOLCACGKH-UHFFFAOYSA-N 1 0 346.515 2.737 20 70 EFIDRO COC(=O)c1csc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000160777936 310702758 /nfs/dbraw/zinc/70/27/58/310702758.db2.gz SIGSWTVDWFQQRU-UHFFFAOYSA-N 1 0 339.461 2.873 20 70 EFIDRO C[C@H]1C[NH+](CCCNC(=O)c2nc3ccccc3s2)C[C@H](C)O1 ZINC000160787091 310702762 /nfs/dbraw/zinc/70/27/62/310702762.db2.gz DXZSSRAWYOWBKS-STQMWFEESA-N 1 0 333.457 2.525 20 70 EFIDRO CC(C)[NH+](CCNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)C(C)C ZINC000161021219 310705001 /nfs/dbraw/zinc/70/50/01/310705001.db2.gz WJGDOQBLKHUXGE-AWEZNQCLSA-N 1 0 349.479 2.656 20 70 EFIDRO CC[NH+]1CCC(NC(=O)CN2c3ccccc3S[C@H](C)[C@@H]2C)CC1 ZINC000161191212 310706959 /nfs/dbraw/zinc/70/69/59/310706959.db2.gz XQIBZWXJFFLNIP-LSDHHAIUSA-N 1 0 347.528 2.976 20 70 EFIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161074427 473204864 /nfs/dbraw/zinc/20/48/64/473204864.db2.gz ZOIYAVSORCFYHC-CFVMTHIKSA-N 1 0 342.480 2.753 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000161098113 473206316 /nfs/dbraw/zinc/20/63/16/473206316.db2.gz NSLWEQVKRSNOMV-UHFFFAOYSA-N 1 0 339.277 2.840 20 70 EFIDRO COCCC1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000161110409 473206966 /nfs/dbraw/zinc/20/69/66/473206966.db2.gz WTGPSBYVNUGXFS-UHFFFAOYSA-N 1 0 336.501 2.893 20 70 EFIDRO CO[C@H]1CCN(Cc2ccc(Br)c(C)c2)[C@@H](C[NH3+])C1 ZINC000161025881 473199946 /nfs/dbraw/zinc/19/99/46/473199946.db2.gz MIBKZMSWKWDCTR-KGLIPLIRSA-N 1 0 327.266 2.696 20 70 EFIDRO O=C(C[NH2+]C1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cc1 ZINC000161107165 473207502 /nfs/dbraw/zinc/20/75/02/473207502.db2.gz KXTWREGBMDHASF-UHFFFAOYSA-N 1 0 344.846 2.932 20 70 EFIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NO[C@H]1CCCCO1 ZINC000161110817 473208429 /nfs/dbraw/zinc/20/84/29/473208429.db2.gz XFZIUHAACZLIIQ-SJORKVTESA-N 1 0 333.432 2.581 20 70 EFIDRO COCCC1(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000161135943 473211265 /nfs/dbraw/zinc/21/12/65/473211265.db2.gz RPEGPKUSQPXKNS-UHFFFAOYSA-N 1 0 349.475 2.702 20 70 EFIDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SC(C)C)CC1 ZINC000161128632 473210115 /nfs/dbraw/zinc/21/01/15/473210115.db2.gz FJHZQVIQHKKJPB-UHFFFAOYSA-N 1 0 349.500 2.726 20 70 EFIDRO C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)Oc1ccccc1Br ZINC000161141786 473210939 /nfs/dbraw/zinc/21/09/39/473210939.db2.gz FCQYKEXCFUFFBZ-GXFFZTMASA-N 1 0 343.265 2.706 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C3CC3)nc3onc(C)c32)CC1 ZINC000161135190 473211088 /nfs/dbraw/zinc/21/10/88/473211088.db2.gz UIGGLWGGXREFLW-UHFFFAOYSA-N 1 0 342.443 2.870 20 70 EFIDRO CCc1ncc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cn1 ZINC000161161192 473213303 /nfs/dbraw/zinc/21/33/03/473213303.db2.gz NAGLJMYCEWHTJP-OAHLLOKOSA-N 1 0 343.431 2.899 20 70 EFIDRO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cncs1 ZINC000161174455 473214233 /nfs/dbraw/zinc/21/42/33/473214233.db2.gz XWADMIRVMTWWQI-CQSZACIVSA-N 1 0 331.485 2.951 20 70 EFIDRO CC(=O)NC1CCC(Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000161179728 473215276 /nfs/dbraw/zinc/21/52/76/473215276.db2.gz WUTQKELVVTWDLO-UHFFFAOYSA-N 1 0 333.476 2.795 20 70 EFIDRO CCc1ncc(NC(=O)NC[C@@H](C)N2CCc3sccc3C2)cn1 ZINC000161178735 473215477 /nfs/dbraw/zinc/21/54/77/473215477.db2.gz PJAKTLVOPYYSDN-GFCCVEGCSA-N 1 0 345.472 2.669 20 70 EFIDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)NCc1ccccc1 ZINC000161203222 473217215 /nfs/dbraw/zinc/21/72/15/473217215.db2.gz QAVBUVXGCKEJPW-ZEUIUJOJSA-N 1 0 344.480 2.780 20 70 EFIDRO CCN(Cc1ccccn1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000161205062 473217318 /nfs/dbraw/zinc/21/73/18/473217318.db2.gz PBBVIDSBHIAQCA-INIZCTEOSA-N 1 0 331.366 2.987 20 70 EFIDRO CCC[N@H+](CCO)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000161202300 473217444 /nfs/dbraw/zinc/21/74/44/473217444.db2.gz OJNAUZSUGMBDLC-UHFFFAOYSA-N 1 0 330.428 2.874 20 70 EFIDRO COc1ccc(F)cc1CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161216820 473217674 /nfs/dbraw/zinc/21/76/74/473217674.db2.gz AJHOGIUFKYVKNZ-UHFFFAOYSA-N 1 0 349.494 2.828 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 ZINC000161215400 473217957 /nfs/dbraw/zinc/21/79/57/473217957.db2.gz ZPQKGWJSSAJJLS-OLZOCXBDSA-N 1 0 349.381 2.939 20 70 EFIDRO C[C@@]1(O)CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000161230891 473218503 /nfs/dbraw/zinc/21/85/03/473218503.db2.gz MPSDXRHEWYVOOH-AZUAARDMSA-N 1 0 345.487 2.598 20 70 EFIDRO C[C@]1(O)CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000161231012 473218692 /nfs/dbraw/zinc/21/86/92/473218692.db2.gz MPSDXRHEWYVOOH-QUCCMNQESA-N 1 0 345.487 2.598 20 70 EFIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)n1Cc1ccccn1 ZINC000161219674 473218743 /nfs/dbraw/zinc/21/87/43/473218743.db2.gz BTMGSBPWFFHGQY-JKSUJKDBSA-N 1 0 326.444 2.548 20 70 EFIDRO CN(C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)C1CC1 ZINC000161230658 473219258 /nfs/dbraw/zinc/21/92/58/473219258.db2.gz WVZNDQSWGVYVFT-UHFFFAOYSA-N 1 0 344.434 2.701 20 70 EFIDRO CC[NH+]1CCC(N(C)C(=O)c2cc(-c3cccc(OC)c3)n[nH]2)CC1 ZINC000161232758 473219501 /nfs/dbraw/zinc/21/95/01/473219501.db2.gz IJOMJBGZQJUUBE-UHFFFAOYSA-N 1 0 342.443 2.642 20 70 EFIDRO Cc1nc(-c2ccccc2)ncc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161246549 473219665 /nfs/dbraw/zinc/21/96/65/473219665.db2.gz KEUYMSNSIBINCZ-UHFFFAOYSA-N 1 0 336.439 2.809 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1csc(Br)c1 ZINC000161236219 473219746 /nfs/dbraw/zinc/21/97/46/473219746.db2.gz NVCOXKBFKRHHFQ-ZWNMCFTASA-N 1 0 329.263 2.734 20 70 EFIDRO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161235007 473219843 /nfs/dbraw/zinc/21/98/43/473219843.db2.gz GGBLMJDPYPODJK-AWEZNQCLSA-N 1 0 326.444 2.608 20 70 EFIDRO c1ccc2c(c1)CCN(CCC[NH2+]C1CCC3(CC1)OCCO3)C2 ZINC000161255295 473220545 /nfs/dbraw/zinc/22/05/45/473220545.db2.gz XPOGXFYWADDQHX-UHFFFAOYSA-N 1 0 330.472 2.710 20 70 EFIDRO COc1ccc([C@H](NC(=O)[C@H](C)[NH3+])c2ccccc2Cl)c(OC)c1 ZINC000161274289 473222703 /nfs/dbraw/zinc/22/27/03/473222703.db2.gz PIZXLVNMXVIXTG-APPDUMDISA-N 1 0 348.830 2.910 20 70 EFIDRO Cc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+]2CCCC2)cc1 ZINC000161314724 473225385 /nfs/dbraw/zinc/22/53/85/473225385.db2.gz LWWJKEJOLSMXJL-QUCCMNQESA-N 1 0 345.487 2.688 20 70 EFIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)[C@@H](C)C1 ZINC000161312814 473225571 /nfs/dbraw/zinc/22/55/71/473225571.db2.gz NUUNZZNGPRIXET-KSSFIOAISA-N 1 0 339.439 2.500 20 70 EFIDRO CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000161331880 473227081 /nfs/dbraw/zinc/22/70/81/473227081.db2.gz PNNZILFPMQHQNP-JKSUJKDBSA-N 1 0 341.459 2.813 20 70 EFIDRO CC(=O)Nc1cccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161335121 473227830 /nfs/dbraw/zinc/22/78/30/473227830.db2.gz YHPWDMDEHKJEEE-HNNXBMFYSA-N 1 0 330.350 2.780 20 70 EFIDRO CC(C)OC[C@H](O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161358523 473229685 /nfs/dbraw/zinc/22/96/85/473229685.db2.gz SGVOULXRNLRFHS-GOSISDBHSA-N 1 0 331.460 2.727 20 70 EFIDRO Cc1sc2[nH]c(CN(C[C@@H]3CCOC3)C3CC3)nc(=O)c2c1C ZINC000161409596 473233975 /nfs/dbraw/zinc/23/39/75/473233975.db2.gz BVDXQHRCIDYYFQ-LBPRGKRZSA-N 1 0 333.457 2.602 20 70 EFIDRO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccccc4F)C3=O)CC[C@@H]21 ZINC000161392203 473231760 /nfs/dbraw/zinc/23/17/60/473231760.db2.gz YHIWAPXVGPJSDF-HHXXYDBFSA-N 1 0 345.462 2.737 20 70 EFIDRO CC(C)Cc1nc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cs1 ZINC000161386736 473232135 /nfs/dbraw/zinc/23/21/35/473232135.db2.gz RYJPLXJFEONXAD-ZDUSSCGKSA-N 1 0 330.457 2.745 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2cccc(Br)c2)C1 ZINC000161391983 473232143 /nfs/dbraw/zinc/23/21/43/473232143.db2.gz OFXOMSBWNQLZOS-ZIAGYGMSSA-N 1 0 325.250 2.768 20 70 EFIDRO Cn1cc(Nc2cccc(C(=O)NC3CC[NH+](C4CC4)CC3)c2)cn1 ZINC000161404083 473232964 /nfs/dbraw/zinc/23/29/64/473232964.db2.gz VNSQOPGEZZZVKD-UHFFFAOYSA-N 1 0 339.443 2.520 20 70 EFIDRO CCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)C[C@H]1COc2ccccc2O1 ZINC000161424653 473234915 /nfs/dbraw/zinc/23/49/15/473234915.db2.gz NNHWLBKGTGMPJI-HNNXBMFYSA-N 1 0 344.411 2.853 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000161439816 473235254 /nfs/dbraw/zinc/23/52/54/473235254.db2.gz ZAQFHGOLPDDASS-DLBZAZTESA-N 1 0 325.412 2.660 20 70 EFIDRO Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)o2)cc1 ZINC000161436581 473235404 /nfs/dbraw/zinc/23/54/04/473235404.db2.gz PIVCKTXOAOKPGM-HZPDHXFCSA-N 1 0 327.428 2.969 20 70 EFIDRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2nc(C)sc2C)CC1 ZINC000161448187 473235955 /nfs/dbraw/zinc/23/59/55/473235955.db2.gz LXROKZFNTQVYPJ-UHFFFAOYSA-N 1 0 347.488 2.794 20 70 EFIDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161476403 473237943 /nfs/dbraw/zinc/23/79/43/473237943.db2.gz JPFAGUHNAJVJRS-LIRRHRJNSA-N 1 0 334.460 2.905 20 70 EFIDRO C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000161477310 473238280 /nfs/dbraw/zinc/23/82/80/473238280.db2.gz GACRRELSYRWKOR-QAPCUYQASA-N 1 0 339.439 2.542 20 70 EFIDRO Cc1nc(COC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c(C)s1 ZINC000161498976 473239630 /nfs/dbraw/zinc/23/96/30/473239630.db2.gz UXUSMGVBASZLMK-QGZVFWFLSA-N 1 0 346.452 2.704 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000161501848 473240077 /nfs/dbraw/zinc/24/00/77/473240077.db2.gz OVAGNBBWGPDOEZ-TVPLGVNVSA-N 1 0 334.460 2.544 20 70 EFIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000161505889 473240849 /nfs/dbraw/zinc/24/08/49/473240849.db2.gz VJBYJCWPEPVSDS-OALUTQOASA-N 1 0 338.407 2.507 20 70 EFIDRO CCc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000161503028 473240936 /nfs/dbraw/zinc/24/09/36/473240936.db2.gz LOWUVBXCJKMGQQ-UONOGXRCSA-N 1 0 330.407 2.574 20 70 EFIDRO COc1ccc(Cl)cc1NCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159365989 473021633 /nfs/dbraw/zinc/02/16/33/473021633.db2.gz QJSPRMWPRRBKNO-OKILXGFUSA-N 1 0 337.851 2.504 20 70 EFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCc2cscn2)c1 ZINC000159362422 473021929 /nfs/dbraw/zinc/02/19/29/473021929.db2.gz DJZAIRCDMLWWJG-UHFFFAOYSA-N 1 0 346.500 2.767 20 70 EFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000159382966 473022809 /nfs/dbraw/zinc/02/28/09/473022809.db2.gz DDJJSQLFNVSLKX-JSGCOSHPSA-N 1 0 332.286 2.811 20 70 EFIDRO CC1CC[NH+](C[C@H](O)CNC(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000159379276 473023123 /nfs/dbraw/zinc/02/31/23/473023123.db2.gz ROBMSUGAPMYNHR-LJQANCHMSA-N 1 0 346.515 2.953 20 70 EFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)cc1 ZINC000159429968 473027101 /nfs/dbraw/zinc/02/71/01/473027101.db2.gz JDSBNLMYPUAWPW-QZTJIDSGSA-N 1 0 333.476 2.895 20 70 EFIDRO COCCN(C)CC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000159430682 473028724 /nfs/dbraw/zinc/02/87/24/473028724.db2.gz RMGMROAZDVYJPS-OAHLLOKOSA-N 1 0 332.366 2.740 20 70 EFIDRO COCc1nc(C)c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000159448979 473030137 /nfs/dbraw/zinc/03/01/37/473030137.db2.gz ZAARMKGBOXAXKG-RWMBFGLXSA-N 1 0 339.505 2.694 20 70 EFIDRO Cc1ccc(-c2csc(NC(=O)[C@@H](C)N(C)C[C@@H](C)O)n2)cc1 ZINC000159447649 473030231 /nfs/dbraw/zinc/03/02/31/473030231.db2.gz CXNJPYKTTQMIEH-CHWSQXEVSA-N 1 0 333.457 2.758 20 70 EFIDRO CC1CCC([NH+]2CCN(C(=O)NCCc3cscn3)CC2)CC1 ZINC000159495549 473032203 /nfs/dbraw/zinc/03/22/03/473032203.db2.gz JTIJWVYXFCXCCZ-UHFFFAOYSA-N 1 0 336.505 2.592 20 70 EFIDRO CCOc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OCC ZINC000159572706 473039536 /nfs/dbraw/zinc/03/95/36/473039536.db2.gz GTFGKGJZKQPSNC-AVWSTVSLSA-N 1 0 344.455 2.850 20 70 EFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000159576359 473040429 /nfs/dbraw/zinc/04/04/29/473040429.db2.gz FGVARNIVRPNSOD-KGLIPLIRSA-N 1 0 348.443 2.758 20 70 EFIDRO C[NH+](C)CCCCCCCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000159585980 473041148 /nfs/dbraw/zinc/04/11/48/473041148.db2.gz WBZNEYMUXRZFGC-IRXDYDNUSA-N 1 0 325.497 2.755 20 70 EFIDRO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)nn1-c1ccc(F)cc1F ZINC000159585238 473041957 /nfs/dbraw/zinc/04/19/57/473041957.db2.gz ZVKMOHYDQDVPRJ-KRWDZBQOSA-N 1 0 348.397 2.529 20 70 EFIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159615614 473044714 /nfs/dbraw/zinc/04/47/14/473044714.db2.gz POIHBPXQJBKAPF-LLVKDONJSA-N 1 0 343.313 2.933 20 70 EFIDRO Cc1ccc(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000159636188 473046581 /nfs/dbraw/zinc/04/65/81/473046581.db2.gz PHHAKDJJVJVTLX-GOSISDBHSA-N 1 0 330.476 2.592 20 70 EFIDRO CCN(C(=O)NC[C@@H]1CCCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159652271 473048015 /nfs/dbraw/zinc/04/80/15/473048015.db2.gz RRLCACOCZQZODA-OALUTQOASA-N 1 0 345.487 2.862 20 70 EFIDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000159719305 473054945 /nfs/dbraw/zinc/05/49/45/473054945.db2.gz PAIACIKVAXHTTN-QGZVFWFLSA-N 1 0 347.528 2.967 20 70 EFIDRO CCc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1-c1ccc(F)cc1 ZINC000159736984 473056611 /nfs/dbraw/zinc/05/66/11/473056611.db2.gz BSSZZTHMTFECLK-GASCZTMLSA-N 1 0 342.418 2.540 20 70 EFIDRO C[C@@H]1CCC[C@@](CNC(=O)N(C)CC2CCOCC2)([NH+](C)C)C1 ZINC000159765060 473059412 /nfs/dbraw/zinc/05/94/12/473059412.db2.gz BKYZOAZFTZELAB-CRAIPNDOSA-N 1 0 325.497 2.565 20 70 EFIDRO Cc1cc(C[NH+]2CCC(CC(N)=O)CC2)c(OC(F)F)cc1C ZINC000159831757 473064706 /nfs/dbraw/zinc/06/47/06/473064706.db2.gz CSVBQHYPFSTIEU-UHFFFAOYSA-N 1 0 326.387 2.992 20 70 EFIDRO C[NH+](C)CCCOC1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159832788 473064808 /nfs/dbraw/zinc/06/48/08/473064808.db2.gz MHVBAFTWCINEOC-UHFFFAOYSA-N 1 0 326.510 2.773 20 70 EFIDRO C[C@H](CNC(=O)NCCOc1ccccc1Cl)[N@H+](C)C1CC1 ZINC000159862508 473067464 /nfs/dbraw/zinc/06/74/64/473067464.db2.gz UZKKONSKRPVSBA-GFCCVEGCSA-N 1 0 325.840 2.501 20 70 EFIDRO CCN(Cc1ccc2c[nH]nc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159884200 473068576 /nfs/dbraw/zinc/06/85/76/473068576.db2.gz JDCILPPUXRLFDQ-UHFFFAOYSA-N 1 0 333.395 2.822 20 70 EFIDRO CC(=O)NC1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159871221 473069114 /nfs/dbraw/zinc/06/91/14/473069114.db2.gz OEPCSURFMCUEOY-UHFFFAOYSA-N 1 0 331.243 2.973 20 70 EFIDRO CCOC(=O)C1(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)CCC1 ZINC000159877208 473069357 /nfs/dbraw/zinc/06/93/57/473069357.db2.gz JXEJSIKWLUXDJF-UHFFFAOYSA-N 1 0 331.347 2.683 20 70 EFIDRO C[C@](O)(C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccsc1 ZINC000159914483 473071087 /nfs/dbraw/zinc/07/10/87/473071087.db2.gz VPOLIQBURJRCRA-SFHVURJKSA-N 1 0 331.485 2.605 20 70 EFIDRO CCC(=O)N[C@@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159940426 473073955 /nfs/dbraw/zinc/07/39/55/473073955.db2.gz LMJAGLPPFPERMW-CYBMUJFWSA-N 1 0 331.391 2.971 20 70 EFIDRO Cc1ccccc1COc1cccc(CC(=O)NCC(C)(C)[NH3+])c1 ZINC000159943148 473074615 /nfs/dbraw/zinc/07/46/15/473074615.db2.gz FRSLXNDMHUQJKX-UHFFFAOYSA-N 1 0 326.440 2.970 20 70 EFIDRO CCCCCN(CCO)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159952856 473075642 /nfs/dbraw/zinc/07/56/42/473075642.db2.gz AHLNDFIVXSRIAF-HKUYNNGSSA-N 1 0 347.503 2.701 20 70 EFIDRO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1)C(C)C ZINC000160016793 473079446 /nfs/dbraw/zinc/07/94/46/473079446.db2.gz VOIWYKSHAKKNQU-UHFFFAOYSA-N 1 0 328.460 2.923 20 70 EFIDRO CCSCc1cccc(NC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1 ZINC000160028640 473081126 /nfs/dbraw/zinc/08/11/26/473081126.db2.gz YYZMBGSGOPTFGL-XJKSGUPXSA-N 1 0 337.489 2.780 20 70 EFIDRO CCCCCN(CCO)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160052609 473084215 /nfs/dbraw/zinc/08/42/15/473084215.db2.gz QXTJJWWMIDGCCW-HKUYNNGSSA-N 1 0 347.503 2.844 20 70 EFIDRO CCOCCN(CC)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160077805 473085275 /nfs/dbraw/zinc/08/52/75/473085275.db2.gz HWLSHOZBJOKEQE-FUHWJXTLSA-N 1 0 333.476 2.717 20 70 EFIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)C1 ZINC000160131581 473089734 /nfs/dbraw/zinc/08/97/34/473089734.db2.gz GHXDTXGAQUVTMZ-CYBMUJFWSA-N 1 0 348.397 2.531 20 70 EFIDRO CCC[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)N1CCc2sccc2C1 ZINC000160163136 473093007 /nfs/dbraw/zinc/09/30/07/473093007.db2.gz OYPLJIRXUULQBD-NUEKZKHPSA-N 1 0 336.501 2.816 20 70 EFIDRO Cc1ccc(-n2nc(C(=O)N3CCC[C@@H]3C[NH3+])c3c2CCC3)c(C)c1 ZINC000160179957 473093800 /nfs/dbraw/zinc/09/38/00/473093800.db2.gz UAFIPMIQQCVPHG-OAHLLOKOSA-N 1 0 338.455 2.541 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)c1ccsc1 ZINC000160210204 473096140 /nfs/dbraw/zinc/09/61/40/473096140.db2.gz BBDCAORLVYIRFJ-DZKIICNBSA-N 1 0 339.505 2.950 20 70 EFIDRO CCc1ccc(/C=C/C(=O)N2CCCC[C@H]2CN2CCOCC2)o1 ZINC000160241401 473099318 /nfs/dbraw/zinc/09/93/18/473099318.db2.gz BCDBDNUDCJDNDN-FDMDGMSGSA-N 1 0 332.444 2.569 20 70 EFIDRO O=C(NCCc1cccc(O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160235015 473099494 /nfs/dbraw/zinc/09/94/94/473099494.db2.gz FQUKHQJXMDOSEX-LJQANCHMSA-N 1 0 338.451 2.963 20 70 EFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160245194 473100607 /nfs/dbraw/zinc/10/06/07/473100607.db2.gz IXGLCRFGHMINNJ-MRXNPFEDSA-N 1 0 345.487 2.638 20 70 EFIDRO CC[N@H+](CCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C(C)C ZINC000160260563 473102359 /nfs/dbraw/zinc/10/23/59/473102359.db2.gz HZNAHLLZZBHAFA-KRWDZBQOSA-N 1 0 335.448 2.706 20 70 EFIDRO CSC[C@H](CCO)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000160257862 473102378 /nfs/dbraw/zinc/10/23/78/473102378.db2.gz GFTBMZNGFCXLDZ-SFHVURJKSA-N 1 0 340.508 2.536 20 70 EFIDRO CCC[C@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000160265115 473102674 /nfs/dbraw/zinc/10/26/74/473102674.db2.gz RMAJZIDOZNDTMO-IRXDYDNUSA-N 1 0 325.497 2.852 20 70 EFIDRO CCOC(=O)[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160281524 473103866 /nfs/dbraw/zinc/10/38/66/473103866.db2.gz XYXZAFWRKXAICE-MRXNPFEDSA-N 1 0 338.492 2.546 20 70 EFIDRO CC1CC[NH+]([C@H](CNC(=O)C[C@H]2COC(=O)C2)c2ccccc2)CC1 ZINC000160320941 473108832 /nfs/dbraw/zinc/10/88/32/473108832.db2.gz UNWCVTXTUCKETQ-SJLPKXTDSA-N 1 0 344.455 2.529 20 70 EFIDRO CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)[C@@H]1CCOC1 ZINC000160326190 473108940 /nfs/dbraw/zinc/10/89/40/473108940.db2.gz AAQJAYYLYMGCEQ-NHCUHLMSSA-N 1 0 345.531 2.729 20 70 EFIDRO COc1ccc([C@H](C[NH2+][C@H](C)C2(C)CC2)N2CCOCC2)cc1OC ZINC000160360895 473113068 /nfs/dbraw/zinc/11/30/68/473113068.db2.gz RUUZDSXZJALKMX-WBVHZDCISA-N 1 0 348.487 2.855 20 70 EFIDRO COC(=O)C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(C(C)(C)C)cc1 ZINC000160374549 473114347 /nfs/dbraw/zinc/11/43/47/473114347.db2.gz TYQQLOBFCWSSEV-INIZCTEOSA-N 1 0 346.471 2.976 20 70 EFIDRO CC(C)c1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160390338 473115684 /nfs/dbraw/zinc/11/56/84/473115684.db2.gz FPFAAKDMMMGHOC-LJQANCHMSA-N 1 0 332.488 2.706 20 70 EFIDRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160389511 473115876 /nfs/dbraw/zinc/11/58/76/473115876.db2.gz JFFUHOBSPIKMAP-OXQOHEQNSA-N 1 0 338.426 2.931 20 70 EFIDRO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCc3c2cccc3O)CC1 ZINC000160393670 473116585 /nfs/dbraw/zinc/11/65/85/473116585.db2.gz CXWUPSMMJSVDDL-MQBCKMQZSA-N 1 0 331.460 2.799 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000160391486 473117151 /nfs/dbraw/zinc/11/71/51/473117151.db2.gz ZFVVCTCSSJNVJU-SFHVURJKSA-N 1 0 345.487 2.754 20 70 EFIDRO C[N@H+](CCCNC(=O)c1cccc(-n2ccnn2)c1)Cc1ccccc1 ZINC000160404027 473118030 /nfs/dbraw/zinc/11/80/30/473118030.db2.gz UONOOKGBZORVPC-UHFFFAOYSA-N 1 0 349.438 2.519 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc2c1CCC2 ZINC000160416392 473120268 /nfs/dbraw/zinc/12/02/68/473120268.db2.gz SYJODFHICIFJOT-WOJBJXKFSA-N 1 0 342.483 2.673 20 70 EFIDRO CC(C)(O)C[NH+]1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000160426985 473123134 /nfs/dbraw/zinc/12/31/34/473123134.db2.gz BQIJPEYKXNDVPZ-UHFFFAOYSA-N 1 0 347.286 2.761 20 70 EFIDRO CC1CCN(C(=O)C2CC[NH+](Cc3cnc4ccccn34)CC2)CC1 ZINC000160429768 473123171 /nfs/dbraw/zinc/12/31/71/473123171.db2.gz DEJNSKOSRUDCFD-UHFFFAOYSA-N 1 0 340.471 2.805 20 70 EFIDRO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000160434016 473124366 /nfs/dbraw/zinc/12/43/66/473124366.db2.gz QPPKFPJNUIHSIQ-MRXNPFEDSA-N 1 0 334.460 2.944 20 70 EFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(-n3ccnc3C)cc1)CC2 ZINC000160444962 473125159 /nfs/dbraw/zinc/12/51/59/473125159.db2.gz BZGWIVDVWCRSRR-CXAGYDPISA-N 1 0 336.443 2.746 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC000160442279 473125777 /nfs/dbraw/zinc/12/57/77/473125777.db2.gz MRTCJFFVCYSWRN-MRXNPFEDSA-N 1 0 328.416 2.587 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2ccc(F)cc2)CCCC1 ZINC000160452481 473127221 /nfs/dbraw/zinc/12/72/21/473127221.db2.gz OQLVVXSUNLEKCD-GOSISDBHSA-N 1 0 348.462 2.601 20 70 EFIDRO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1Br ZINC000160449619 473127311 /nfs/dbraw/zinc/12/73/11/473127311.db2.gz UAKAXXUKUYKIDD-AWEZNQCLSA-N 1 0 325.250 2.828 20 70 EFIDRO CCC[C@H]1CN(C(=O)Nc2cccc(F)c2F)CC[N@@H+]1CCOC ZINC000160465551 473128799 /nfs/dbraw/zinc/12/87/99/473128799.db2.gz SXMWTHSVLIUJRP-ZDUSSCGKSA-N 1 0 341.402 2.929 20 70 EFIDRO CN(C)C(=O)COc1ccccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160465051 473128939 /nfs/dbraw/zinc/12/89/39/473128939.db2.gz CYGDIRCRZWXDSM-UHFFFAOYSA-N 1 0 330.403 2.925 20 70 EFIDRO CCC[C@@H]1CN(C(=O)Nc2cccc(F)c2F)CC[N@@H+]1CCOC ZINC000160465395 473129122 /nfs/dbraw/zinc/12/91/22/473129122.db2.gz SXMWTHSVLIUJRP-CYBMUJFWSA-N 1 0 341.402 2.929 20 70 EFIDRO COCCC[NH+]1CCC(NC(=O)c2ccc(F)c(SC)c2)CC1 ZINC000160469417 473130464 /nfs/dbraw/zinc/13/04/64/473130464.db2.gz FUUKYXHZRFBOJP-UHFFFAOYSA-N 1 0 340.464 2.778 20 70 EFIDRO CC(C)Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C1CC1 ZINC000160487265 473132143 /nfs/dbraw/zinc/13/21/43/473132143.db2.gz GNMVROQPFZIKDO-AEFFLSMTSA-N 1 0 344.503 2.973 20 70 EFIDRO Cc1ccccc1OCC[N@@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000160507904 473135061 /nfs/dbraw/zinc/13/50/61/473135061.db2.gz WKYGHJDHIUSYFC-CQSZACIVSA-N 1 0 344.377 2.859 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000160509304 473135160 /nfs/dbraw/zinc/13/51/60/473135160.db2.gz DICLPJCWAUXHOU-OAHLLOKOSA-N 1 0 346.862 2.636 20 70 EFIDRO COC(=O)COc1c(C)cc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1C ZINC000160514135 473135701 /nfs/dbraw/zinc/13/57/01/473135701.db2.gz MJXZWKOCINWUBH-INIZCTEOSA-N 1 0 335.444 2.902 20 70 EFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1OC(F)F)CC2 ZINC000160543772 473139671 /nfs/dbraw/zinc/13/96/71/473139671.db2.gz GRFYEOHLHHTVGB-SKDRFNHKSA-N 1 0 340.349 2.993 20 70 EFIDRO CC(C)c1csc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)n1 ZINC000160575649 473144918 /nfs/dbraw/zinc/14/49/18/473144918.db2.gz JCDPWQDZZPTNLB-MRXNPFEDSA-N 1 0 339.505 2.676 20 70 EFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2F)o1 ZINC000160574630 473145545 /nfs/dbraw/zinc/14/55/45/473145545.db2.gz PBVAKXMUFHDGGR-UHFFFAOYSA-N 1 0 346.402 2.520 20 70 EFIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000160586006 473145851 /nfs/dbraw/zinc/14/58/51/473145851.db2.gz FZQWZQXPAXHZIF-LBPRGKRZSA-N 1 0 326.872 2.659 20 70 EFIDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1OCC(=O)N(C)C ZINC000160586140 473145883 /nfs/dbraw/zinc/14/58/83/473145883.db2.gz NIMWQCYSNFUYIN-NJAFHUGGSA-N 1 0 348.487 2.745 20 70 EFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000160619564 473151821 /nfs/dbraw/zinc/15/18/21/473151821.db2.gz NWRGFGZTTHHLLG-QMMMGPOBSA-N 1 0 344.255 2.914 20 70 EFIDRO CNC(=O)c1cc(C)ccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000160617341 473151935 /nfs/dbraw/zinc/15/19/35/473151935.db2.gz FPJOWCZVPGZWAA-SUMWQHHRSA-N 1 0 325.412 2.629 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)C1 ZINC000160616275 473152176 /nfs/dbraw/zinc/15/21/76/473152176.db2.gz DAHPKKVLRKQSMF-LBPRGKRZSA-N 1 0 328.416 2.658 20 70 EFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160628708 473154056 /nfs/dbraw/zinc/15/40/56/473154056.db2.gz HJFPVWOODYBQKG-LBPRGKRZSA-N 1 0 347.385 2.831 20 70 EFIDRO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)c1 ZINC000160649217 473156106 /nfs/dbraw/zinc/15/61/06/473156106.db2.gz KGQHQZBHRKAKEX-KRWDZBQOSA-N 1 0 339.443 2.544 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2F)o1 ZINC000160648036 473156539 /nfs/dbraw/zinc/15/65/39/473156539.db2.gz LKYXPKAZGFXTAZ-CQSZACIVSA-N 1 0 346.402 2.662 20 70 EFIDRO CC[C@@H](O)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000160684344 473160131 /nfs/dbraw/zinc/16/01/31/473160131.db2.gz GFTASFLMJYGZAO-MRXNPFEDSA-N 1 0 325.497 2.635 20 70 EFIDRO Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000160685582 473160285 /nfs/dbraw/zinc/16/02/85/473160285.db2.gz YEWMUTJWTKDOEE-GDBMZVCRSA-N 1 0 348.516 2.955 20 70 EFIDRO CC[C@H](O)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000160684213 473161113 /nfs/dbraw/zinc/16/11/13/473161113.db2.gz GFTASFLMJYGZAO-INIZCTEOSA-N 1 0 325.497 2.635 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000160732041 473167703 /nfs/dbraw/zinc/16/77/03/473167703.db2.gz LPPFDBWPRQBNSK-NSHDSACASA-N 1 0 341.249 2.659 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000160737572 473168042 /nfs/dbraw/zinc/16/80/42/473168042.db2.gz HJUYSBUGACTFOJ-QMMMGPOBSA-N 1 0 337.634 2.846 20 70 EFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000160734190 473168175 /nfs/dbraw/zinc/16/81/75/473168175.db2.gz HJNLBZJOVFUYPE-ZDUSSCGKSA-N 1 0 339.461 2.921 20 70 EFIDRO C[C@@H](NCC1([NH+]2CCSCC2)CCCC1)C(=O)OC(C)(C)C ZINC000160747088 473169804 /nfs/dbraw/zinc/16/98/04/473169804.db2.gz SJUYHGMFBFVMQU-CQSZACIVSA-N 1 0 328.522 2.668 20 70 EFIDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000160746160 473169851 /nfs/dbraw/zinc/16/98/51/473169851.db2.gz UGOYMRQBRVBKFR-KRWDZBQOSA-N 1 0 331.504 2.945 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2OCc2cscn2)C1 ZINC000160774413 473173196 /nfs/dbraw/zinc/17/31/96/473173196.db2.gz VHBZOHWAMYOOEK-CHWSQXEVSA-N 1 0 331.441 2.722 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000160782468 473174661 /nfs/dbraw/zinc/17/46/61/473174661.db2.gz LXVIMFGXJPEWDV-GJZGRUSLSA-N 1 0 329.469 2.663 20 70 EFIDRO CCCCN(Cc1cc(F)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160789779 473175024 /nfs/dbraw/zinc/17/50/24/473175024.db2.gz OAYKCSKVUYROCE-GFCCVEGCSA-N 1 0 335.391 2.893 20 70 EFIDRO CC(C)CSCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160800885 473176445 /nfs/dbraw/zinc/17/64/45/473176445.db2.gz OTBKGPMRCYIDDD-INIZCTEOSA-N 1 0 328.522 2.525 20 70 EFIDRO COc1ccc(SCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000160807189 473176915 /nfs/dbraw/zinc/17/69/15/473176915.db2.gz SEKAOQSLMCOJMN-OLZOCXBDSA-N 1 0 338.473 2.572 20 70 EFIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000160809173 473177165 /nfs/dbraw/zinc/17/71/65/473177165.db2.gz WEVBDCBSRWTFMX-QZTJIDSGSA-N 1 0 345.487 2.690 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1 ZINC000160811924 473177363 /nfs/dbraw/zinc/17/73/63/473177363.db2.gz QJKUZUJERPUJNT-UHFFFAOYSA-N 1 0 339.395 2.957 20 70 EFIDRO Cc1ccccc1-n1nc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c2c1CCC2 ZINC000160836049 473180392 /nfs/dbraw/zinc/18/03/92/473180392.db2.gz MOGLGCYVTMEVLP-GJZGRUSLSA-N 1 0 338.455 2.669 20 70 EFIDRO Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000160832690 473180523 /nfs/dbraw/zinc/18/05/23/473180523.db2.gz QRZGPCUOEDBEGC-FUHWJXTLSA-N 1 0 345.491 2.555 20 70 EFIDRO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC[NH2+]CC1 ZINC000160848679 473182398 /nfs/dbraw/zinc/18/23/98/473182398.db2.gz NSEQEBQZVJEWLI-OAHLLOKOSA-N 1 0 339.439 2.666 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccc(Br)cc2F)C1 ZINC000160839690 473182579 /nfs/dbraw/zinc/18/25/79/473182579.db2.gz UCOKKKDOFAFNQV-QWHCGFSZSA-N 1 0 343.240 2.907 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000160853435 473183968 /nfs/dbraw/zinc/18/39/68/473183968.db2.gz HAEODIOUDKMQGQ-UKRRQHHQSA-N 1 0 327.384 2.532 20 70 EFIDRO CCC[C@H]1CN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCO1 ZINC000160885375 473186770 /nfs/dbraw/zinc/18/67/70/473186770.db2.gz QSIXAZGAOCLRRM-DLBZAZTESA-N 1 0 349.475 2.935 20 70 EFIDRO O=C(NCCCNc1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160880023 473187395 /nfs/dbraw/zinc/18/73/95/473187395.db2.gz GWPJWPAAWSWDSE-KRWDZBQOSA-N 1 0 330.476 2.805 20 70 EFIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCOc2ccccc2Cl)C1 ZINC000160908358 473189819 /nfs/dbraw/zinc/18/98/19/473189819.db2.gz OKSSDHYJPPVEMB-KBPBESRZSA-N 1 0 339.867 2.891 20 70 EFIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(N(C)C)cc1F ZINC000160903774 473189832 /nfs/dbraw/zinc/18/98/32/473189832.db2.gz AEWZAKFBHWOBQC-RBSFLKMASA-N 1 0 335.467 2.988 20 70 EFIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCOc2ccccc2Cl)C1 ZINC000160908488 473189947 /nfs/dbraw/zinc/18/99/47/473189947.db2.gz OKSSDHYJPPVEMB-ZIAGYGMSSA-N 1 0 339.867 2.891 20 70 EFIDRO COC[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160937510 473192698 /nfs/dbraw/zinc/19/26/98/473192698.db2.gz CUDWQLRLIGYJDA-DLBZAZTESA-N 1 0 325.497 2.565 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(n2ccnc2)CC1 ZINC000160967035 473194988 /nfs/dbraw/zinc/19/49/88/473194988.db2.gz GJZXSPRRIAXCRI-GOSISDBHSA-N 1 0 347.507 2.740 20 70 EFIDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)sc1Br ZINC000160985280 473196717 /nfs/dbraw/zinc/19/67/17/473196717.db2.gz RRJGSYVHCZFHQN-JGVFFNPUSA-N 1 0 333.251 2.519 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000160995338 473197202 /nfs/dbraw/zinc/19/72/02/473197202.db2.gz CZBFSDAUZVYYEB-GOSISDBHSA-N 1 0 340.423 2.815 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(OC)cc2)cc1 ZINC000161006316 473198069 /nfs/dbraw/zinc/19/80/69/473198069.db2.gz FLLNKNFNDMGINM-CQSZACIVSA-N 1 0 328.412 2.671 20 70 EFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccncc1C ZINC000161015108 473199098 /nfs/dbraw/zinc/19/90/98/473199098.db2.gz LAOJQUXHGTYZNI-SFHVURJKSA-N 1 0 332.492 2.886 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000161032817 473201014 /nfs/dbraw/zinc/20/10/14/473201014.db2.gz DWRSTMQEOGSSNP-LBPRGKRZSA-N 1 0 339.461 2.634 20 70 EFIDRO CCOc1ccc(NC(=O)C[NH2+][C@H](COC)Cc2ccccc2)cc1 ZINC000161043897 473201445 /nfs/dbraw/zinc/20/14/45/473201445.db2.gz PIBKYXBLXBXQHG-SFHVURJKSA-N 1 0 342.439 2.871 20 70 EFIDRO Cc1cc(-c2noc(CCC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)n2)ccc1F ZINC000161061586 473203208 /nfs/dbraw/zinc/20/32/08/473203208.db2.gz BGDXOVQCYFZCST-UONOGXRCSA-N 1 0 346.406 2.503 20 70 EFIDRO O=C(NOCc1cccnc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000161076545 473204373 /nfs/dbraw/zinc/20/43/73/473204373.db2.gz FNABBXFXFAVSNV-GOSISDBHSA-N 1 0 340.427 2.650 20 70 EFIDRO O[C@@H](C[NH2+]Cc1ccccc1)COc1ccccc1Br ZINC000217759984 474142972 /nfs/dbraw/zinc/14/29/72/474142972.db2.gz QOQWDJXQAGCEFY-AWEZNQCLSA-N 1 0 336.229 2.979 20 70 EFIDRO Cc1c(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000159486568 533850538 /nfs/dbraw/zinc/85/05/38/533850538.db2.gz LTAHWALHORZOJN-UHFFFAOYSA-N 1 0 340.471 2.647 20 70 EFIDRO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000160101454 533965511 /nfs/dbraw/zinc/96/55/11/533965511.db2.gz BWVGWPISKGLZTB-OAHLLOKOSA-N 1 0 326.440 2.898 20 70 EFIDRO C[C@@H]1OCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H]1C ZINC000159866731 534162288 /nfs/dbraw/zinc/16/22/88/534162288.db2.gz ODVCBNXBBLIPSW-HOTGVXAUSA-N 1 0 331.460 2.601 20 70 EFIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000159631989 534165976 /nfs/dbraw/zinc/16/59/76/534165976.db2.gz NNFYYYVEJQWGLG-KBXCAEBGSA-N 1 0 334.435 2.721 20 70 EFIDRO Cc1ccc(-n2ccnc2)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159863112 534240455 /nfs/dbraw/zinc/24/04/55/534240455.db2.gz HWCOCKAIKFXYBU-UHFFFAOYSA-N 1 0 338.455 2.785 20 70 EFIDRO O=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@H]1C[NH2+]CCO1 ZINC000159623952 534402877 /nfs/dbraw/zinc/40/28/77/534402877.db2.gz RKNMYQIGNPBOTE-QGZVFWFLSA-N 1 0 346.814 2.846 20 70 EFIDRO O=C(CCc1ccc2c(c1)OCCO2)NCC[NH2+]C1CCCCCC1 ZINC000159674704 534464095 /nfs/dbraw/zinc/46/40/95/534464095.db2.gz TXHHZFBBILPPML-UHFFFAOYSA-N 1 0 346.471 2.819 20 70 EFIDRO CCO[C@H]1C[C@H](N(C)C(=O)NCCC[NH+](CC)CC)C12CCC2 ZINC000160661538 520563263 /nfs/dbraw/zinc/56/32/63/520563263.db2.gz OELAUWWHHUJBKC-HOTGVXAUSA-N 1 0 325.497 2.707 20 70 EFIDRO [NH3+]C1(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)CCCCC1 ZINC000159515864 534547462 /nfs/dbraw/zinc/54/74/62/534547462.db2.gz LMBMWVOPKBDKLU-UHFFFAOYSA-N 1 0 338.455 2.752 20 70 EFIDRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccccc1 ZINC000159523579 521858864 /nfs/dbraw/zinc/85/88/64/521858864.db2.gz IYBYDHQYNSUVND-SQNIBIBYSA-N 1 0 331.460 2.546 20 70 EFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000161003382 522295430 /nfs/dbraw/zinc/29/54/30/522295430.db2.gz HUIKUZWENOQXFZ-PBHICJAKSA-N 1 0 344.480 2.975 20 70 EFIDRO O=C(c1ccc(F)c(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159785120 534704557 /nfs/dbraw/zinc/70/45/57/534704557.db2.gz BKPMAWYLEGNEEH-PHIMTYICSA-N 1 0 327.197 2.555 20 70 EFIDRO O=C(c1cccc(OCc2cscn2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159646188 534738885 /nfs/dbraw/zinc/73/88/85/534738885.db2.gz ZGWKPNCYLPARBV-GASCZTMLSA-N 1 0 343.452 2.689 20 70 EFIDRO Cc1ccc(NC(=O)NC(=O)C[N@H+](CCCO)CC(C)(C)C)cc1C ZINC000217095028 525150720 /nfs/dbraw/zinc/15/07/20/525150720.db2.gz FNEHWHHURRPKSW-UHFFFAOYSA-N 1 0 349.475 2.682 20 70 EFIDRO Cc1ccn(-c2ccc(N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)nn2)n1 ZINC000160219064 534850951 /nfs/dbraw/zinc/85/09/51/534850951.db2.gz RBIQDNYOWCNONB-MAUKXSAKSA-N 1 0 348.454 2.903 20 70 EFIDRO CC(C)(C)c1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160627716 526772700 /nfs/dbraw/zinc/77/27/00/526772700.db2.gz HZSXRWUFAKLMHC-LJQANCHMSA-N 1 0 346.515 2.880 20 70 EFIDRO CCOC(=O)[C@@H](CC)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160034497 527773215 /nfs/dbraw/zinc/77/32/15/527773215.db2.gz OIDZWURWHILCQL-QGZVFWFLSA-N 1 0 333.476 2.962 20 70 EFIDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160902339 527920137 /nfs/dbraw/zinc/92/01/37/527920137.db2.gz GSFDCQGJIRLVMU-YSVLISHTSA-N 1 0 325.474 2.802 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000160903545 527965212 /nfs/dbraw/zinc/96/52/12/527965212.db2.gz LDBYTWQKZAIFGJ-RBUKOAKNSA-N 1 0 347.503 2.572 20 70 EFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000159830795 528035116 /nfs/dbraw/zinc/03/51/16/528035116.db2.gz UXVTXAGZFBPCKU-IRXDYDNUSA-N 1 0 331.504 2.670 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)NC[C@](C)(O)c1ccccc1Cl ZINC000159468552 528109226 /nfs/dbraw/zinc/10/92/26/528109226.db2.gz PFIISLVYXKLJJD-KRWDZBQOSA-N 1 0 341.883 2.579 20 70 EFIDRO CCC[C@H](CCO)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159969272 528120134 /nfs/dbraw/zinc/12/01/34/528120134.db2.gz PNPWSMGSPAZXHV-SCTDSRPQSA-N 1 0 347.503 2.605 20 70 EFIDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(=O)n3C)cc2)CC1 ZINC000159839044 528255361 /nfs/dbraw/zinc/25/53/61/528255361.db2.gz FZENYNDGMPPOMO-UHFFFAOYSA-N 1 0 339.439 2.870 20 70 EFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NCC(C)C ZINC000160018301 528348795 /nfs/dbraw/zinc/34/87/95/528348795.db2.gz BCVYISZPBWRKKE-QGZVFWFLSA-N 1 0 346.519 2.781 20 70 EFIDRO CC(C)[C@@H](C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)[NH+](C)C ZINC000159945466 528364833 /nfs/dbraw/zinc/36/48/33/528364833.db2.gz RAHUZMBETJXOEL-SFHVURJKSA-N 1 0 345.487 2.515 20 70 EFIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000161072473 528389501 /nfs/dbraw/zinc/38/95/01/528389501.db2.gz SZNMSIZIXVLYJG-LBPRGKRZSA-N 1 0 326.872 2.659 20 70 EFIDRO CCOc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000159791257 528389916 /nfs/dbraw/zinc/38/99/16/528389916.db2.gz BTERIZZAOATHSC-UHFFFAOYSA-N 1 0 332.444 2.698 20 70 EFIDRO CCC[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000159651670 528395230 /nfs/dbraw/zinc/39/52/30/528395230.db2.gz CTIZXPJNDHVZII-IBGZPJMESA-N 1 0 345.487 2.993 20 70 EFIDRO CCCCOCCN(C(=O)C[NH2+]C)c1cccc(Br)c1 ZINC000159370484 528589324 /nfs/dbraw/zinc/58/93/24/528589324.db2.gz LDTKWQJMOQZNRM-UHFFFAOYSA-N 1 0 343.265 2.818 20 70 EFIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](O)c1ccccc1 ZINC000159786442 528836375 /nfs/dbraw/zinc/83/63/75/528836375.db2.gz QFKOFIVZOOQNTA-LJQANCHMSA-N 1 0 326.440 2.877 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000159688224 528897905 /nfs/dbraw/zinc/89/79/05/528897905.db2.gz ZRUDHXFCJOZHOM-CQSZACIVSA-N 1 0 345.447 2.779 20 70 EFIDRO CCC[C@@H](CCO)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159968892 528933198 /nfs/dbraw/zinc/93/31/98/528933198.db2.gz PNPWSMGSPAZXHV-JENIJYKNSA-N 1 0 347.503 2.605 20 70 EFIDRO CCOC[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160905193 528933325 /nfs/dbraw/zinc/93/33/25/528933325.db2.gz OEWPRJCSNOMAOQ-IAGOWNOFSA-N 1 0 325.497 2.565 20 70 EFIDRO CCC[C@@H](CCO)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159969141 528933552 /nfs/dbraw/zinc/93/35/52/528933552.db2.gz PNPWSMGSPAZXHV-LNLFQRSKSA-N 1 0 347.503 2.605 20 70 EFIDRO CCC[C@@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C(=O)OCC ZINC000159896776 529003454 /nfs/dbraw/zinc/00/34/54/529003454.db2.gz ZZHVPLAMTQBUDO-CRAIPNDOSA-N 1 0 333.476 2.928 20 70 EFIDRO CCOC[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160905299 529025465 /nfs/dbraw/zinc/02/54/65/529025465.db2.gz OEWPRJCSNOMAOQ-DLBZAZTESA-N 1 0 325.497 2.565 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ccccc2C(C)C)CC1 ZINC000159849403 529025585 /nfs/dbraw/zinc/02/55/85/529025585.db2.gz YORWBSNDDJYVFB-UHFFFAOYSA-N 1 0 333.476 2.926 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000159754886 529026695 /nfs/dbraw/zinc/02/66/95/529026695.db2.gz KNCHOQAKMNGGBU-RBUKOAKNSA-N 1 0 345.487 2.892 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC3CCCC3)nc2)CC1 ZINC000159607567 529027956 /nfs/dbraw/zinc/02/79/56/529027956.db2.gz MAAAUBWIKKGUPL-UHFFFAOYSA-N 1 0 346.475 2.640 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000159933069 529029755 /nfs/dbraw/zinc/02/97/55/529029755.db2.gz YPRXKXPDBFKQAZ-INIZCTEOSA-N 1 0 341.459 2.671 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](COCC(C)C)c2ccco2)CC1 ZINC000159792008 529031040 /nfs/dbraw/zinc/03/10/40/529031040.db2.gz VFEBUHVWALIHOO-MRXNPFEDSA-N 1 0 337.464 2.731 20 70 EFIDRO CCCCn1ncc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000161099188 529094500 /nfs/dbraw/zinc/09/45/00/529094500.db2.gz LVYAWNMRMNLQRP-GOSISDBHSA-N 1 0 342.487 2.894 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000159838300 529164411 /nfs/dbraw/zinc/16/44/11/529164411.db2.gz PFWALZPAKUIDHR-DZKIICNBSA-N 1 0 336.501 2.756 20 70 EFIDRO CCSCC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000159752665 529179415 /nfs/dbraw/zinc/17/94/15/529179415.db2.gz VZALAKGWCISRLF-UHFFFAOYSA-N 1 0 326.531 2.872 20 70 EFIDRO CC[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)Oc1ccccc1F ZINC000159437833 529342485 /nfs/dbraw/zinc/34/24/85/529342485.db2.gz QIKDFOBNWHXNCB-OAHLLOKOSA-N 1 0 339.455 2.965 20 70 EFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cc(Br)ccc31)CC2 ZINC000160336813 282118108 /nfs/dbraw/zinc/11/81/08/282118108.db2.gz QFNPNRAYMPCCNP-DZGCQCFKSA-N 1 0 347.260 2.941 20 70 EFIDRO CC[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)Oc1cccc(F)c1 ZINC000159960345 529478977 /nfs/dbraw/zinc/47/89/77/529478977.db2.gz ALSNMGZQZGGEGS-INIZCTEOSA-N 1 0 337.439 2.720 20 70 EFIDRO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(CC)(CC)C[NH3+])c2)n1 ZINC000161185754 529506446 /nfs/dbraw/zinc/50/64/46/529506446.db2.gz IPZPLGALSMTETG-UHFFFAOYSA-N 1 0 342.443 2.703 20 70 EFIDRO CCc1cc2c(C[N@H+](C)C[C@H]3CCC[C@@H]3O)cc(=O)oc2cc1O ZINC000159832593 529570515 /nfs/dbraw/zinc/57/05/15/529570515.db2.gz ZPGFNPMYSQVBTO-CJNGLKHVSA-N 1 0 331.412 2.654 20 70 EFIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000159958392 290673960 /nfs/dbraw/zinc/67/39/60/290673960.db2.gz SGDZZQQWTQBWHP-APWZRJJASA-N 1 0 326.440 2.916 20 70 EFIDRO CCc1ccc([C@H](C)CC(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000160336685 529719597 /nfs/dbraw/zinc/71/95/97/529719597.db2.gz VTEBSEKGWHMXES-MRXNPFEDSA-N 1 0 332.488 2.970 20 70 EFIDRO CCc1nnc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000160232084 529735447 /nfs/dbraw/zinc/73/54/47/529735447.db2.gz SFFJOUCSLYHQLU-UHFFFAOYSA-N 1 0 328.464 2.501 20 70 EFIDRO CN(C)c1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)c(F)c1 ZINC000160678014 282285795 /nfs/dbraw/zinc/28/57/95/282285795.db2.gz CVENIQKSVPSRNL-UHFFFAOYSA-N 1 0 329.419 2.754 20 70 EFIDRO CN1CCc2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2C1=O ZINC000160795590 529813521 /nfs/dbraw/zinc/81/35/21/529813521.db2.gz JHTZKRQSHMYJBK-WBVHZDCISA-N 1 0 329.444 2.551 20 70 EFIDRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(C)(C)C[NH3+] ZINC000160740233 529858392 /nfs/dbraw/zinc/85/83/92/529858392.db2.gz DWBBSNQXNXGXAV-UHFFFAOYSA-N 1 0 339.277 2.924 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000161355382 529989105 /nfs/dbraw/zinc/98/91/05/529989105.db2.gz PXQLQHRWAHRKJW-KRWDZBQOSA-N 1 0 345.487 2.814 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000161194022 529990265 /nfs/dbraw/zinc/99/02/65/529990265.db2.gz BMSONBJATCSGBI-QWRGUYRKSA-N 1 0 331.243 2.971 20 70 EFIDRO C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@H]1CCC[C@@H]1O ZINC000159766773 529993321 /nfs/dbraw/zinc/99/33/21/529993321.db2.gz FVVQRBPHNPYWLL-MOPGFXCFSA-N 1 0 330.472 2.906 20 70 EFIDRO COC(=O)C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000160374283 291152138 /nfs/dbraw/zinc/15/21/38/291152138.db2.gz VGMNZMWPMFZXDH-SJORKVTESA-N 1 0 346.471 2.847 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccccc1-n1cccn1 ZINC000159622015 239033229 /nfs/dbraw/zinc/03/32/29/239033229.db2.gz FJNPTPWGVYXEIU-UHFFFAOYSA-N 1 0 326.444 2.915 20 70 EFIDRO COCCC1(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000160970228 239057991 /nfs/dbraw/zinc/05/79/91/239057991.db2.gz UKAXXXBKGSURDD-UHFFFAOYSA-N 1 0 325.497 2.567 20 70 EFIDRO COCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160991608 239061381 /nfs/dbraw/zinc/06/13/81/239061381.db2.gz XXBOIJMRYUNMMT-QGZVFWFLSA-N 1 0 325.497 2.565 20 70 EFIDRO CSC[C@](C)(O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000217851201 241278934 /nfs/dbraw/zinc/27/89/34/241278934.db2.gz IEPBUWCSEFWQLZ-OAHLLOKOSA-N 1 0 331.865 2.705 20 70 EFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160340873 284612431 /nfs/dbraw/zinc/61/24/31/284612431.db2.gz LUSKNCZXOLAUQW-QZTJIDSGSA-N 1 0 339.524 2.953 20 70 EFIDRO COc1ccc([C@H](CNC(=O)[C@@H]2CCCCO2)[NH+]2CCCC2)cc1 ZINC000159848351 533181988 /nfs/dbraw/zinc/18/19/88/533181988.db2.gz FFPAISQBYKDNLY-ROUUACIJSA-N 1 0 332.444 2.517 20 70 EFIDRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000161372188 533271547 /nfs/dbraw/zinc/27/15/47/533271547.db2.gz SLJXGTALROEWFL-BFUOFWGJSA-N 1 0 329.444 2.602 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000160287738 533609133 /nfs/dbraw/zinc/60/91/33/533609133.db2.gz IJLYEGMCDOOAAV-VQIMIIECSA-N 1 0 338.455 2.886 20 70 EFIDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1OC ZINC000160339845 533614389 /nfs/dbraw/zinc/61/43/89/533614389.db2.gz QWRHDEISDZTBFO-JSGCOSHPSA-N 1 0 330.432 2.578 20 70 EFIDRO C[C@@H](CCO)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000159834333 533636074 /nfs/dbraw/zinc/63/60/74/533636074.db2.gz MWZITYSNQUFNRZ-INIZCTEOSA-N 1 0 333.476 2.633 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1cccc(F)c1 ZINC000159494680 225227630 /nfs/dbraw/zinc/22/76/30/225227630.db2.gz OFFWSEYBRVZTAD-BZSNNMDCSA-N 1 0 349.450 2.685 20 70 EFIDRO Cc1cc(C)n(Cc2cccc(C(=O)NCC3([NH3+])CCCCC3)c2)n1 ZINC000159536646 225235604 /nfs/dbraw/zinc/23/56/04/225235604.db2.gz GGEYARBKDPDDJG-UHFFFAOYSA-N 1 0 340.471 2.940 20 70 EFIDRO COCCN(C)CC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000159381442 225207497 /nfs/dbraw/zinc/20/74/97/225207497.db2.gz AXBWQEWKVDPPNH-ZDUSSCGKSA-N 1 0 334.489 2.742 20 70 EFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000159474478 225225437 /nfs/dbraw/zinc/22/54/37/225225437.db2.gz YEHFCSDHZWGOME-IUCAKERBSA-N 1 0 338.757 2.998 20 70 EFIDRO C[C@@]1(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCS1 ZINC000160019842 225321929 /nfs/dbraw/zinc/32/19/29/225321929.db2.gz DCAPNISIXHWBFM-SFHVURJKSA-N 1 0 348.516 2.631 20 70 EFIDRO COc1ccc(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1F ZINC000159755531 225272243 /nfs/dbraw/zinc/27/22/43/225272243.db2.gz VHYNGXLHMWKLEH-UHFFFAOYSA-N 1 0 334.435 2.758 20 70 EFIDRO COC[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000159796378 225280488 /nfs/dbraw/zinc/28/04/88/225280488.db2.gz KIJPDOBAIDIAGB-YOEHRIQHSA-N 1 0 333.476 2.840 20 70 EFIDRO COc1ccc([C@@H](CNC(=O)[C@H]2CCCCO2)[NH+]2CCCC2)cc1 ZINC000159848477 225291449 /nfs/dbraw/zinc/29/14/49/225291449.db2.gz FFPAISQBYKDNLY-QZTJIDSGSA-N 1 0 332.444 2.517 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2cscn2)C[N@@H+]1Cc1ccccc1 ZINC000159896477 225297869 /nfs/dbraw/zinc/29/78/69/225297869.db2.gz OJERRNCVMQAKPR-HOCLYGCPSA-N 1 0 344.484 2.948 20 70 EFIDRO CN(C(=O)CSc1nccc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000159912554 225302243 /nfs/dbraw/zinc/30/22/43/225302243.db2.gz HITORAJHXSFDHF-HNNXBMFYSA-N 1 0 329.469 2.880 20 70 EFIDRO Cc1nc(COc2ccccc2/C=C/C(=O)NCC(C)(C)[NH3+])cs1 ZINC000159954192 225308765 /nfs/dbraw/zinc/30/87/65/225308765.db2.gz GFJUALDVDRJGAV-CMDGGOBGSA-N 1 0 345.468 2.897 20 70 EFIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159601180 225246752 /nfs/dbraw/zinc/24/67/52/225246752.db2.gz HQPDOKVBANWLOH-SWLSCSKDSA-N 1 0 328.503 2.994 20 70 EFIDRO CCc1noc2ncc(C(=O)NCC[NH2+]C3CCCCCC3)cc12 ZINC000159625871 225250711 /nfs/dbraw/zinc/25/07/11/225250711.db2.gz VODAIXQHEVCKBQ-UHFFFAOYSA-N 1 0 330.432 2.827 20 70 EFIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000159631654 225251873 /nfs/dbraw/zinc/25/18/73/225251873.db2.gz NNFYYYVEJQWGLG-KDOFPFPSSA-N 1 0 334.435 2.721 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000160242967 225369321 /nfs/dbraw/zinc/36/93/21/225369321.db2.gz LCFVENDGFCCOLP-ZDUSSCGKSA-N 1 0 344.440 2.955 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000160253687 225371217 /nfs/dbraw/zinc/37/12/17/225371217.db2.gz HZPNQVVEZRZBFL-KRWDZBQOSA-N 1 0 338.411 2.894 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000160263289 225373067 /nfs/dbraw/zinc/37/30/67/225373067.db2.gz ADSLSZCVOFGZIG-IAGOWNOFSA-N 1 0 336.863 2.838 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000160287874 225380991 /nfs/dbraw/zinc/38/09/91/225380991.db2.gz IJLYEGMCDOOAAV-QFBILLFUSA-N 1 0 338.455 2.886 20 70 EFIDRO Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCC[NH3+])cc12 ZINC000160133982 225345076 /nfs/dbraw/zinc/34/50/76/225345076.db2.gz ZVXOHBKPMQOFRC-UHFFFAOYSA-N 1 0 328.441 2.533 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000160214588 225362395 /nfs/dbraw/zinc/36/23/95/225362395.db2.gz DKIROWSZJFFSQN-LLVKDONJSA-N 1 0 339.226 2.742 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C(=O)N(C)C)cn1 ZINC000160219880 225364334 /nfs/dbraw/zinc/36/43/34/225364334.db2.gz PFGQQSSKBYWSOM-QAPCUYQASA-N 1 0 338.455 2.716 20 70 EFIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000160224134 225365728 /nfs/dbraw/zinc/36/57/28/225365728.db2.gz OLDNCNQUYWBCAE-MCIONIFRSA-N 1 0 327.453 2.906 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2nnc(C3CC3)n2n1 ZINC000160238078 225366603 /nfs/dbraw/zinc/36/66/03/225366603.db2.gz PRSAWDUSAQUAME-YOEHRIQHSA-N 1 0 348.454 2.934 20 70 EFIDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)n1Cc1ccccn1 ZINC000161219947 225578558 /nfs/dbraw/zinc/57/85/58/225578558.db2.gz BTMGSBPWFFHGQY-CVEARBPZSA-N 1 0 326.444 2.548 20 70 EFIDRO CCN(C[C@@H]1CCOC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159999651 544800306 /nfs/dbraw/zinc/80/03/06/544800306.db2.gz FWFZGRMOYHDYMN-WDSOQIARSA-N 1 0 345.487 2.575 20 70 EFIDRO CCO[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160062290 544801241 /nfs/dbraw/zinc/80/12/41/544801241.db2.gz PACKZPAGLWKYPY-YTQUADARSA-N 1 0 345.487 2.860 20 70 EFIDRO CN(C)c1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cn1 ZINC000160231001 544803566 /nfs/dbraw/zinc/80/35/66/544803566.db2.gz JKRWDKDJWHCLMJ-SFHVURJKSA-N 1 0 338.455 2.601 20 70 EFIDRO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1cccc(-n2cnnn2)c1 ZINC000160386913 544804977 /nfs/dbraw/zinc/80/49/77/544804977.db2.gz SBNPHQOIZUNZDO-HNAYVOBHSA-N 1 0 342.491 2.823 20 70 EFIDRO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+](C)C[C@H](O)C1CC1 ZINC000160828115 544809010 /nfs/dbraw/zinc/80/90/10/544809010.db2.gz LQTIDYOWCJQWKL-MDOVXXIYSA-N 1 0 344.499 2.834 20 70 EFIDRO CC[C@@H]1c2ccccc2CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000161096891 544810192 /nfs/dbraw/zinc/81/01/92/544810192.db2.gz ZXXFEQRMLGAPPP-QGZVFWFLSA-N 1 0 341.459 2.986 20 70 EFIDRO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161381723 544813812 /nfs/dbraw/zinc/81/38/12/544813812.db2.gz HWYAMYWCORFWHJ-CYBMUJFWSA-N 1 0 346.381 2.509 20 70 EFIDRO CC(C)CCC[C@H](C)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161388425 544814078 /nfs/dbraw/zinc/81/40/78/544814078.db2.gz KINRBWLEQDMCAB-KRWDZBQOSA-N 1 0 332.492 2.535 20 70 EFIDRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)o1 ZINC000159424047 544795031 /nfs/dbraw/zinc/79/50/31/544795031.db2.gz VGCUNVPXZMKCIC-IIAWOOMASA-N 1 0 340.489 2.697 20 70 EFIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000160381035 273022163 /nfs/dbraw/zinc/02/21/63/273022163.db2.gz RJIVHCUXFSIADO-AEFFLSMTSA-N 1 0 335.492 2.604 20 70 EFIDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCOC1 ZINC000160202145 274258041 /nfs/dbraw/zinc/25/80/41/274258041.db2.gz HLQQWKMSECTLBL-JRPNMDOOSA-N 1 0 326.799 2.599 20 70 EFIDRO [NH3+]C1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCCC1 ZINC000161083978 303353703 /nfs/dbraw/zinc/35/37/03/303353703.db2.gz MRKFXEKDALTIDD-UHFFFAOYSA-N 1 0 332.288 2.991 20 70 EFIDRO CC1CC[NH+](CCCNC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000160214897 310696139 /nfs/dbraw/zinc/69/61/39/310696139.db2.gz WUECLHVGKCIWPB-HNNXBMFYSA-N 1 0 337.489 2.846 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(C2CC2)n1 ZINC000160295578 310697394 /nfs/dbraw/zinc/69/73/94/310697394.db2.gz RLFVGXDNSMZBTR-JKSUJKDBSA-N 1 0 349.500 2.518 20 70 EFIDRO Cc1cccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1Br ZINC000160448806 310699029 /nfs/dbraw/zinc/69/90/29/310699029.db2.gz IYMAOZTZUUXGRD-ZDUSSCGKSA-N 1 0 325.250 2.828 20 70 EFIDRO COC(=O)c1csc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000160721267 310702138 /nfs/dbraw/zinc/70/21/38/310702138.db2.gz UHBSOVYMXXVAJR-UHFFFAOYSA-N 1 0 327.450 2.586 20 70 EFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(-n2cncn2)cc1 ZINC000161151377 310706629 /nfs/dbraw/zinc/70/66/29/310706629.db2.gz SIAKRHHKRLJJST-AWEZNQCLSA-N 1 0 336.395 2.889 20 70 EFIDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000161300135 310708167 /nfs/dbraw/zinc/70/81/67/310708167.db2.gz KNIYJLNBTFGMIK-PIXXYMSQSA-N 1 0 337.485 2.739 20 70 EFIDRO CCOC(=O)CCCCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161403693 310708595 /nfs/dbraw/zinc/70/85/95/310708595.db2.gz RROIGUQDXBMRPU-CQSZACIVSA-N 1 0 325.371 2.745 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)CC1 ZINC000161101296 473206916 /nfs/dbraw/zinc/20/69/16/473206916.db2.gz INWUKNORPXOUGL-RDTXWAMCSA-N 1 0 343.471 2.743 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1 ZINC000161122990 473208898 /nfs/dbraw/zinc/20/88/98/473208898.db2.gz PFCKLIHOIBGDOV-UHFFFAOYSA-N 1 0 336.480 2.538 20 70 EFIDRO COCCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCCC1 ZINC000161125547 473209240 /nfs/dbraw/zinc/20/92/40/473209240.db2.gz AYGWBVSYZACHQG-MRXNPFEDSA-N 1 0 337.508 2.899 20 70 EFIDRO C[C@@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)Oc1ccc(F)cc1 ZINC000161124399 473209277 /nfs/dbraw/zinc/20/92/77/473209277.db2.gz JEJYXZNFOLGMPO-AWEZNQCLSA-N 1 0 345.418 2.749 20 70 EFIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000161119158 473209447 /nfs/dbraw/zinc/20/94/47/473209447.db2.gz RCNDEPPJWVZBNF-NSHDSACASA-N 1 0 336.379 2.955 20 70 EFIDRO Cc1cccc2c(CCC(=O)N3CC[NH+](CC4CC4)CC3)c[nH]c21 ZINC000161131596 473210081 /nfs/dbraw/zinc/21/00/81/473210081.db2.gz UKPVLTGJBFVTNV-UHFFFAOYSA-N 1 0 325.456 2.963 20 70 EFIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccccc2F)[C@@H](C)C1 ZINC000161134409 473210233 /nfs/dbraw/zinc/21/02/33/473210233.db2.gz PBQJVCXWNDBJHT-LRDDRELGSA-N 1 0 330.407 2.674 20 70 EFIDRO CCc1ncc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cn1 ZINC000161161064 473212820 /nfs/dbraw/zinc/21/28/20/473212820.db2.gz NAGLJMYCEWHTJP-HNNXBMFYSA-N 1 0 343.431 2.899 20 70 EFIDRO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000161170726 473213942 /nfs/dbraw/zinc/21/39/42/473213942.db2.gz ISPAKASSQMCRHZ-UHFFFAOYSA-N 1 0 328.460 2.868 20 70 EFIDRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000161195727 473215850 /nfs/dbraw/zinc/21/58/50/473215850.db2.gz KCEYQWDOPKKCCD-ZOBUZTSGSA-N 1 0 336.476 2.854 20 70 EFIDRO CCC[N@H+](CCO)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000161195324 473216259 /nfs/dbraw/zinc/21/62/59/473216259.db2.gz XHSUJCPRWVMMEZ-UHFFFAOYSA-N 1 0 344.249 2.815 20 70 EFIDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ccc(C(=O)OC)nn1 ZINC000161193828 473216378 /nfs/dbraw/zinc/21/63/78/473216378.db2.gz KEEKISAOZUPMKD-UHFFFAOYSA-N 1 0 342.443 2.612 20 70 EFIDRO CCN(Cc1ccccn1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000161204938 473217519 /nfs/dbraw/zinc/21/75/19/473217519.db2.gz PBBVIDSBHIAQCA-MRXNPFEDSA-N 1 0 331.366 2.987 20 70 EFIDRO CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C(CC)(CC)C[NH3+] ZINC000161213178 473217840 /nfs/dbraw/zinc/21/78/40/473217840.db2.gz DYWQEOSPWDQEAN-UHFFFAOYSA-N 1 0 333.476 2.502 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000161210146 473218127 /nfs/dbraw/zinc/21/81/27/473218127.db2.gz LUPHLRDAESGDCL-OAHLLOKOSA-N 1 0 341.459 2.523 20 70 EFIDRO CCc1noc(-c2ccc(CCNC(=O)C(CC)(CC)C[NH3+])cc2)n1 ZINC000161211731 473218218 /nfs/dbraw/zinc/21/82/18/473218218.db2.gz QGVJNVSEEKAVNS-UHFFFAOYSA-N 1 0 344.459 2.723 20 70 EFIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCN1CCCC1=O ZINC000161231848 473219704 /nfs/dbraw/zinc/21/97/04/473219704.db2.gz ICAYIDDDDSSCTA-UHFFFAOYSA-N 1 0 326.444 2.564 20 70 EFIDRO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CC2([NH3+])CCC2)cc1 ZINC000161254193 473220413 /nfs/dbraw/zinc/22/04/13/473220413.db2.gz DULNORLFPXBJIM-SFHVURJKSA-N 1 0 330.472 2.817 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000161257538 473220938 /nfs/dbraw/zinc/22/09/38/473220938.db2.gz OCMKQAOQHOKALA-CQSZACIVSA-N 1 0 333.432 2.697 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1cccc(F)c1 ZINC000161262770 473222043 /nfs/dbraw/zinc/22/20/43/473222043.db2.gz AADUPVVYVPMPCV-HOTGVXAUSA-N 1 0 339.455 2.525 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1cccc(F)c1 ZINC000161262655 473222188 /nfs/dbraw/zinc/22/21/88/473222188.db2.gz AADUPVVYVPMPCV-JKSUJKDBSA-N 1 0 339.455 2.525 20 70 EFIDRO Cc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000161279938 473223450 /nfs/dbraw/zinc/22/34/50/473223450.db2.gz HPKYVVWSJXJDGD-OAHLLOKOSA-N 1 0 329.444 2.730 20 70 EFIDRO CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161288447 473223573 /nfs/dbraw/zinc/22/35/73/473223573.db2.gz XYWXICVCWQUFCM-VXGBXAGGSA-N 1 0 328.254 2.831 20 70 EFIDRO CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161288190 473223583 /nfs/dbraw/zinc/22/35/83/473223583.db2.gz XYWXICVCWQUFCM-NWDGAFQWSA-N 1 0 328.254 2.831 20 70 EFIDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161315105 473225696 /nfs/dbraw/zinc/22/56/96/473225696.db2.gz FWVJTFGNRLGOMJ-HXUWFJFHSA-N 1 0 340.471 2.554 20 70 EFIDRO COc1cc(F)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000161322543 473226597 /nfs/dbraw/zinc/22/65/97/473226597.db2.gz SELCPWPXNGFLOF-INIZCTEOSA-N 1 0 346.402 2.876 20 70 EFIDRO CCCn1nc(C)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000161322914 473226774 /nfs/dbraw/zinc/22/67/74/473226774.db2.gz NCNYHOXWTNPRKZ-QGZVFWFLSA-N 1 0 328.460 2.943 20 70 EFIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)nc3ccc(OC)cc32)C1 ZINC000161322509 473226873 /nfs/dbraw/zinc/22/68/73/473226873.db2.gz YMXKNLWXWJEBCM-CQSZACIVSA-N 1 0 327.428 2.623 20 70 EFIDRO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161337379 473227444 /nfs/dbraw/zinc/22/74/44/473227444.db2.gz JPGICCNONRZWJL-KRWDZBQOSA-N 1 0 336.439 2.762 20 70 EFIDRO CCc1nn(C)c(Cl)c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000161338787 473227684 /nfs/dbraw/zinc/22/76/84/473227684.db2.gz VTMBQYZUXZZVNW-UHFFFAOYSA-N 1 0 326.872 2.629 20 70 EFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCOc2ccccc2C)c1 ZINC000161346240 473228434 /nfs/dbraw/zinc/22/84/34/473228434.db2.gz RWSGDACHKZNINY-HNNXBMFYSA-N 1 0 348.468 2.633 20 70 EFIDRO CCOCCC1(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000161342447 473228679 /nfs/dbraw/zinc/22/86/79/473228679.db2.gz KTPCENDISYWKKA-QGZVFWFLSA-N 1 0 339.524 2.860 20 70 EFIDRO O=C(N[C@H](c1nccs1)c1ccccc1)[C@H]1CCn2ccnc2C1 ZINC000161413233 473233443 /nfs/dbraw/zinc/23/34/43/473233443.db2.gz DIXZZPVLUJRDAP-HOCLYGCPSA-N 1 0 338.436 2.808 20 70 EFIDRO O[C@@H](C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1)C(F)(F)F ZINC000161383717 473231196 /nfs/dbraw/zinc/23/11/96/473231196.db2.gz RGGDQTNAJZETHT-INIZCTEOSA-N 1 0 329.362 2.799 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2cccc(Br)c2)C1 ZINC000161392117 473231709 /nfs/dbraw/zinc/23/17/09/473231709.db2.gz OFXOMSBWNQLZOS-KGLIPLIRSA-N 1 0 325.250 2.768 20 70 EFIDRO C[C@@H](C(=O)N(C)C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161387315 473232321 /nfs/dbraw/zinc/23/23/21/473232321.db2.gz LDWAFKKYSJYYSM-ZDUSSCGKSA-N 1 0 332.423 2.557 20 70 EFIDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1F ZINC000161405850 473232644 /nfs/dbraw/zinc/23/26/44/473232644.db2.gz YKSMAGKZQZBSTN-AWEZNQCLSA-N 1 0 330.407 2.752 20 70 EFIDRO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161428433 473235032 /nfs/dbraw/zinc/23/50/32/473235032.db2.gz ZQLDQYUVTNJRSR-FUHWJXTLSA-N 1 0 337.435 2.754 20 70 EFIDRO Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)o2)cc1 ZINC000161436701 473235539 /nfs/dbraw/zinc/23/55/39/473235539.db2.gz PIVCKTXOAOKPGM-CVEARBPZSA-N 1 0 327.428 2.969 20 70 EFIDRO C[C@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)C(C)(C)C[NH+](C)C ZINC000161451145 473236187 /nfs/dbraw/zinc/23/61/87/473236187.db2.gz JFFUZPAJXKYQKC-ZDUSSCGKSA-N 1 0 344.463 2.580 20 70 EFIDRO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161476276 473238085 /nfs/dbraw/zinc/23/80/85/473238085.db2.gz JPFAGUHNAJVJRS-KUHUBIRLSA-N 1 0 334.460 2.905 20 70 EFIDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)NCC(F)(F)F ZINC000161466265 473237261 /nfs/dbraw/zinc/23/72/61/473237261.db2.gz YJHVSTQKJDPMOX-LLVKDONJSA-N 1 0 348.365 2.593 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000161480036 473239049 /nfs/dbraw/zinc/23/90/49/473239049.db2.gz CINNYNZUBAHFKW-KBPBESRZSA-N 1 0 336.863 2.774 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000161496492 473239506 /nfs/dbraw/zinc/23/95/06/473239506.db2.gz VKXYMSRGMKCXSH-QWHCGFSZSA-N 1 0 336.432 2.677 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000161496613 473240017 /nfs/dbraw/zinc/24/00/17/473240017.db2.gz VKXYMSRGMKCXSH-CHWSQXEVSA-N 1 0 336.432 2.677 20 70 EFIDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc[nH]c1=O ZINC000161506803 473240611 /nfs/dbraw/zinc/24/06/11/473240611.db2.gz TZKZZWCOJJHALX-UHFFFAOYSA-N 1 0 333.819 2.645 20 70 EFIDRO C[C@@H](c1cccc(Cl)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159365281 473021362 /nfs/dbraw/zinc/02/13/62/473021362.db2.gz GKHRIWUQVPEZQL-SUMWQHHRSA-N 1 0 335.879 2.815 20 70 EFIDRO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159402125 473026219 /nfs/dbraw/zinc/02/62/19/473026219.db2.gz CGJMPHPNZYPOQL-QZTJIDSGSA-N 1 0 333.451 2.691 20 70 EFIDRO C/C(=C/c1ccccc1)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159425185 473027192 /nfs/dbraw/zinc/02/71/92/473027192.db2.gz QMDKYXYZQYVTJA-HRYDCMBCSA-N 1 0 336.501 2.884 20 70 EFIDRO COc1ccc(OCCNC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000159435307 473028375 /nfs/dbraw/zinc/02/83/75/473028375.db2.gz PRGVPZPSEMBBLF-UHFFFAOYSA-N 1 0 349.475 2.590 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2c(C)noc2C)cc1 ZINC000159439786 473028538 /nfs/dbraw/zinc/02/85/38/473028538.db2.gz PWLFDRCLCHDEFG-LBPRGKRZSA-N 1 0 336.457 2.978 20 70 EFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC000159443805 473028552 /nfs/dbraw/zinc/02/85/52/473028552.db2.gz CBFPFFWXZAZPQV-UHFFFAOYSA-N 1 0 341.411 2.904 20 70 EFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000159452643 473029747 /nfs/dbraw/zinc/02/97/47/473029747.db2.gz JXGDNLBPDRYNCQ-ILSUMAEYSA-N 1 0 336.863 2.906 20 70 EFIDRO Cc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c[nH]c1=O ZINC000159485581 473031833 /nfs/dbraw/zinc/03/18/33/473031833.db2.gz HPLXFFBTEWGVQN-UHFFFAOYSA-N 1 0 339.439 2.924 20 70 EFIDRO COC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000159619015 473044744 /nfs/dbraw/zinc/04/47/44/473044744.db2.gz VFKJPECAWSBRHA-KGLIPLIRSA-N 1 0 330.350 2.651 20 70 EFIDRO CC(C)c1n[nH]c(C(=O)NCC2([NH3+])CCCCC2)c1Br ZINC000159648098 473047849 /nfs/dbraw/zinc/04/78/49/473047849.db2.gz QBQLHEQYSOBHPQ-UHFFFAOYSA-N 1 0 343.269 2.687 20 70 EFIDRO C[C@@H](CNC(=O)NCCOc1ccccc1Cl)C[NH+]1CCCC1 ZINC000159660337 473049275 /nfs/dbraw/zinc/04/92/75/473049275.db2.gz LMTVUJVABQWIGO-AWEZNQCLSA-N 1 0 339.867 2.750 20 70 EFIDRO CCOCCC1(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000159683893 473050567 /nfs/dbraw/zinc/05/05/67/473050567.db2.gz SDNBYLPTIFCMAM-INIZCTEOSA-N 1 0 325.497 2.614 20 70 EFIDRO COc1cc(C)cc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000159683475 473051459 /nfs/dbraw/zinc/05/14/59/473051459.db2.gz INKVAYHPWKVZJA-MRXNPFEDSA-N 1 0 333.476 2.925 20 70 EFIDRO CCc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cnn1CC(C)C ZINC000159726936 473055339 /nfs/dbraw/zinc/05/53/39/473055339.db2.gz FPFJAFXHFASCEX-QAPCUYQASA-N 1 0 332.492 2.658 20 70 EFIDRO CCOc1cc(Cl)ccc1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000159720490 473055393 /nfs/dbraw/zinc/05/53/93/473055393.db2.gz SFVIVOUGEPTIFP-CQSZACIVSA-N 1 0 325.840 2.632 20 70 EFIDRO C[N@@H+](Cc1cc2c(cc1Br)OCO2)C[C@@H]1CCC[C@@H]1O ZINC000159725419 473055421 /nfs/dbraw/zinc/05/54/21/473055421.db2.gz VVWDPSJECUHEPB-GWCFXTLKSA-N 1 0 342.233 2.771 20 70 EFIDRO CCc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cnn1CC(C)C ZINC000159727211 473055700 /nfs/dbraw/zinc/05/57/00/473055700.db2.gz FPFJAFXHFASCEX-YJBOKZPZSA-N 1 0 332.492 2.658 20 70 EFIDRO O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159738985 473056294 /nfs/dbraw/zinc/05/62/94/473056294.db2.gz IEHLVNFZBQMNCB-OAHLLOKOSA-N 1 0 348.874 2.882 20 70 EFIDRO COC(=O)c1ccc(OCC[N@H+](C)C[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000159744672 473056448 /nfs/dbraw/zinc/05/64/48/473056448.db2.gz FQMQMPYBLOBHKE-HIFRSBDPSA-N 1 0 341.835 2.598 20 70 EFIDRO CCOCCC1(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159747482 473057199 /nfs/dbraw/zinc/05/71/99/473057199.db2.gz KHIJXBUSDPHYCZ-HOTGVXAUSA-N 1 0 325.497 2.613 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000159760015 473058348 /nfs/dbraw/zinc/05/83/48/473058348.db2.gz CXYFAVUCYDZPRE-MRXNPFEDSA-N 1 0 325.497 2.850 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccn1 ZINC000159783875 473060606 /nfs/dbraw/zinc/06/06/06/473060606.db2.gz AMBUSFAEGRDTQE-MRXNPFEDSA-N 1 0 348.491 2.788 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccc(OC)cc2)CC1 ZINC000159779286 473060689 /nfs/dbraw/zinc/06/06/89/473060689.db2.gz QDCQKRPPXIPDGY-UHFFFAOYSA-N 1 0 333.476 2.710 20 70 EFIDRO CCCCOc1cccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159859743 473067003 /nfs/dbraw/zinc/06/70/03/473067003.db2.gz YRHOPIFBEAIQKZ-HKUYNNGSSA-N 1 0 348.487 2.575 20 70 EFIDRO C[C@H](NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159909125 473071401 /nfs/dbraw/zinc/07/14/01/473071401.db2.gz FAVQNVWLASHINF-RMRDIRSESA-N 1 0 349.519 2.896 20 70 EFIDRO CCC(=O)N[C@H]1CCCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159944072 473074910 /nfs/dbraw/zinc/07/49/10/473074910.db2.gz RSANKYKRFKPHJI-HOCLYGCPSA-N 1 0 342.443 2.712 20 70 EFIDRO O[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)CN1CCc2ccccc2C1 ZINC000159951627 473076176 /nfs/dbraw/zinc/07/61/76/473076176.db2.gz DFGXLCYMNVJGOA-QGZVFWFLSA-N 1 0 348.849 2.988 20 70 EFIDRO C[N@H+](CC(=O)NCCc1ccc2ccccc2c1)[C@H]1CCSC1 ZINC000159989834 473079058 /nfs/dbraw/zinc/07/90/58/473079058.db2.gz LGSSKVLHRSOPIX-SFHVURJKSA-N 1 0 328.481 2.936 20 70 EFIDRO CCC(CC)(CO)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160016436 473079619 /nfs/dbraw/zinc/07/96/19/473079619.db2.gz BTTLQMSRSKGYPA-FUHWJXTLSA-N 1 0 347.503 2.605 20 70 EFIDRO CC[C@@H](C)[C@](C)(O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160004972 473079820 /nfs/dbraw/zinc/07/98/20/473079820.db2.gz MCCGDFJHTYZNFI-IXIUHKBRSA-N 1 0 347.503 2.603 20 70 EFIDRO CC[C@@H](C)[C@@](C)(O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160005235 473080389 /nfs/dbraw/zinc/08/03/89/473080389.db2.gz MCCGDFJHTYZNFI-QXOCSCLMSA-N 1 0 347.503 2.603 20 70 EFIDRO CC(C)([NH3+])CNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000160088888 473086778 /nfs/dbraw/zinc/08/67/78/473086778.db2.gz ZVXSTNUEFFWNCD-UHFFFAOYSA-N 1 0 326.444 2.744 20 70 EFIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cn1 ZINC000160105900 473088559 /nfs/dbraw/zinc/08/85/59/473088559.db2.gz GSLAQQJXUNOPFF-CQSZACIVSA-N 1 0 338.415 2.695 20 70 EFIDRO O=S(=O)(CC1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160130194 473090371 /nfs/dbraw/zinc/09/03/71/473090371.db2.gz CJXQYCINCDQDQN-QGZVFWFLSA-N 1 0 328.522 2.847 20 70 EFIDRO CCC[C@@H]1CN(c2nc(C(C)(C)C)ns2)CC[N@@H+]1CCOC ZINC000160170370 473093445 /nfs/dbraw/zinc/09/34/45/473093445.db2.gz LENRVFSAHTZHNW-CYBMUJFWSA-N 1 0 326.510 2.773 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC1CCOCC1 ZINC000160170978 473093640 /nfs/dbraw/zinc/09/36/40/473093640.db2.gz MUUDABXWUCXVBZ-QGZVFWFLSA-N 1 0 325.497 2.565 20 70 EFIDRO COCc1ccccc1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160198705 473095711 /nfs/dbraw/zinc/09/57/11/473095711.db2.gz YWOODXJSMBVDAP-UHFFFAOYSA-N 1 0 333.476 2.849 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000160265004 473101593 /nfs/dbraw/zinc/10/15/93/473101593.db2.gz RMAJZIDOZNDTMO-DLBZAZTESA-N 1 0 325.497 2.852 20 70 EFIDRO Cc1cccc([C@@H]2CCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000160273798 473103620 /nfs/dbraw/zinc/10/36/20/473103620.db2.gz MBRHEYACRPWNRH-UONOGXRCSA-N 1 0 327.350 2.690 20 70 EFIDRO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160322457 473107991 /nfs/dbraw/zinc/10/79/91/473107991.db2.gz BWRPNGVWVWMRLO-IRXDYDNUSA-N 1 0 325.497 2.707 20 70 EFIDRO C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160338958 473110243 /nfs/dbraw/zinc/11/02/43/473110243.db2.gz GQRGZPFCKFWAHZ-RDJZCZTQSA-N 1 0 326.444 2.892 20 70 EFIDRO CCCOc1c(Cl)cc(CN2CCC[C@@H]2C(N)=O)cc1OCC ZINC000160357586 473111306 /nfs/dbraw/zinc/11/13/06/473111306.db2.gz ZCTUUEHHGBGVCZ-CQSZACIVSA-N 1 0 340.851 2.977 20 70 EFIDRO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000160349489 473111332 /nfs/dbraw/zinc/11/13/32/473111332.db2.gz IUMJRIDEFBSFBC-UHFFFAOYSA-N 1 0 344.846 2.929 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2[nH]ccc2c1 ZINC000160393395 473116841 /nfs/dbraw/zinc/11/68/41/473116841.db2.gz WZKUGPZCVAPAJR-OALUTQOASA-N 1 0 341.455 2.666 20 70 EFIDRO COc1ccc(OC)c(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160391324 473116948 /nfs/dbraw/zinc/11/69/48/473116948.db2.gz HMJZWJKYKGWPRY-QGZVFWFLSA-N 1 0 348.487 2.873 20 70 EFIDRO CCc1ccc([C@@H](CC)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160391936 473117360 /nfs/dbraw/zinc/11/73/60/473117360.db2.gz HMRIYVKKDWNNGO-LJQANCHMSA-N 1 0 331.504 2.842 20 70 EFIDRO CC(C)n1nccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160405610 473118936 /nfs/dbraw/zinc/11/89/36/473118936.db2.gz PAUCBPPEDYPYMT-UHFFFAOYSA-N 1 0 326.444 2.812 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000160415134 473119538 /nfs/dbraw/zinc/11/95/38/473119538.db2.gz UQBCANADRYUREO-UHFFFAOYSA-N 1 0 340.471 2.917 20 70 EFIDRO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(-n2cnnn2)cc1 ZINC000160421971 473120968 /nfs/dbraw/zinc/12/09/68/473120968.db2.gz QLFZEHUDCCBYGU-HNAYVOBHSA-N 1 0 342.491 2.823 20 70 EFIDRO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(-n2cnnn2)cc1 ZINC000160421716 473121737 /nfs/dbraw/zinc/12/17/37/473121737.db2.gz QLFZEHUDCCBYGU-KXBFYZLASA-N 1 0 342.491 2.823 20 70 EFIDRO Cc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cnn1CC(C)C ZINC000160417973 473121803 /nfs/dbraw/zinc/12/18/03/473121803.db2.gz AEXYUPXUDLUJSV-UHFFFAOYSA-N 1 0 328.460 2.839 20 70 EFIDRO COc1ccccc1OCCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160429288 473123187 /nfs/dbraw/zinc/12/31/87/473123187.db2.gz GQRZHSOYKKUPDC-MRXNPFEDSA-N 1 0 334.460 2.701 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000160447708 473125903 /nfs/dbraw/zinc/12/59/03/473125903.db2.gz IDIQJPCFYAKWSK-LBPRGKRZSA-N 1 0 334.489 2.991 20 70 EFIDRO CC(C)c1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000160473352 473130128 /nfs/dbraw/zinc/13/01/28/473130128.db2.gz KEYKSTWENQXXRJ-HUUCEWRRSA-N 1 0 333.476 2.823 20 70 EFIDRO CC(C)Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C1CC1 ZINC000160487481 473132050 /nfs/dbraw/zinc/13/20/50/473132050.db2.gz GNMVROQPFZIKDO-WMZOPIPTSA-N 1 0 344.503 2.973 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C ZINC000160506090 473135555 /nfs/dbraw/zinc/13/55/55/473135555.db2.gz IGBJVEGFGNXVNR-KRWDZBQOSA-N 1 0 347.503 2.773 20 70 EFIDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000160520959 473136447 /nfs/dbraw/zinc/13/64/47/473136447.db2.gz OORHXZHGOVPOJG-RBUKOAKNSA-N 1 0 347.503 2.617 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160526476 473137819 /nfs/dbraw/zinc/13/78/19/473137819.db2.gz WBCPIRDIQQJXLM-CQSZACIVSA-N 1 0 348.834 2.533 20 70 EFIDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000160542475 473138878 /nfs/dbraw/zinc/13/88/78/473138878.db2.gz KGZVZTQGLOVBNF-VIFPVBQESA-N 1 0 340.292 2.926 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)C1 ZINC000160537624 473138995 /nfs/dbraw/zinc/13/89/95/473138995.db2.gz BWOKUIAPTYRCMS-ZDUSSCGKSA-N 1 0 337.851 2.759 20 70 EFIDRO CN(Cc1cnc2ccccn12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000160536361 473139499 /nfs/dbraw/zinc/13/94/99/473139499.db2.gz YYPXYPJYPINBLO-UHFFFAOYSA-N 1 0 349.482 2.868 20 70 EFIDRO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160578781 473144804 /nfs/dbraw/zinc/14/48/04/473144804.db2.gz HSTYTZFIYQVZDC-UXHICEINSA-N 1 0 344.499 2.734 20 70 EFIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000160585891 473146197 /nfs/dbraw/zinc/14/61/97/473146197.db2.gz FZQWZQXPAXHZIF-GFCCVEGCSA-N 1 0 326.872 2.659 20 70 EFIDRO O=C(C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)NCC(F)(F)F ZINC000160587414 473146257 /nfs/dbraw/zinc/14/62/57/473146257.db2.gz YLBWCJDQVZVQQY-LBPRGKRZSA-N 1 0 328.334 2.701 20 70 EFIDRO O=C(C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)NCC(F)(F)F ZINC000160587309 473146403 /nfs/dbraw/zinc/14/64/03/473146403.db2.gz YLBWCJDQVZVQQY-GFCCVEGCSA-N 1 0 328.334 2.701 20 70 EFIDRO CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000160602425 473149171 /nfs/dbraw/zinc/14/91/71/473149171.db2.gz TZGCFIKPUCNCMN-CQSZACIVSA-N 1 0 332.444 2.742 20 70 EFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc2cc(Cl)ccc2o1 ZINC000160603226 473149295 /nfs/dbraw/zinc/14/92/95/473149295.db2.gz ZUTQMXPHZICWJF-UHFFFAOYSA-N 1 0 336.819 2.520 20 70 EFIDRO CNC(=O)c1cc(C)ccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000160617097 473152467 /nfs/dbraw/zinc/15/24/67/473152467.db2.gz FPJOWCZVPGZWAA-GUYCJALGSA-N 1 0 325.412 2.629 20 70 EFIDRO CN(CCC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000160637524 473155472 /nfs/dbraw/zinc/15/54/72/473155472.db2.gz DWZQCFWWUIBBJK-UHFFFAOYSA-N 1 0 349.475 2.621 20 70 EFIDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000160656479 473157633 /nfs/dbraw/zinc/15/76/33/473157633.db2.gz LCYSMRCQIOEGFR-STQMWFEESA-N 1 0 345.443 2.607 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1sccc1-c1ccccc1 ZINC000160670196 473158704 /nfs/dbraw/zinc/15/87/04/473158704.db2.gz BKHWOYJKHWZAFM-MRXNPFEDSA-N 1 0 344.480 2.992 20 70 EFIDRO CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000160684840 473160642 /nfs/dbraw/zinc/16/06/42/473160642.db2.gz DESNVIAAINNXTL-RTBURBONSA-N 1 0 345.487 2.890 20 70 EFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1F)C1CC1 ZINC000160689437 473162302 /nfs/dbraw/zinc/16/23/02/473162302.db2.gz DTGZVDMNNQYLOR-INIZCTEOSA-N 1 0 331.435 2.984 20 70 EFIDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000160702944 473163751 /nfs/dbraw/zinc/16/37/51/473163751.db2.gz XUOSUAZGHOVLDA-UHFFFAOYSA-N 1 0 346.393 2.874 20 70 EFIDRO CCCCOC(=O)CC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160707318 473164413 /nfs/dbraw/zinc/16/44/13/473164413.db2.gz DXJSSSOJXIGGPZ-HNNXBMFYSA-N 1 0 330.432 2.994 20 70 EFIDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000160713860 473165384 /nfs/dbraw/zinc/16/53/84/473165384.db2.gz NIBZIQKSQMAVRA-KRWDZBQOSA-N 1 0 336.432 2.845 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000160737452 473168769 /nfs/dbraw/zinc/16/87/69/473168769.db2.gz HJUYSBUGACTFOJ-MRVPVSSYSA-N 1 0 337.634 2.846 20 70 EFIDRO CN(C)c1ccc(-c2cncc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000160756293 473170572 /nfs/dbraw/zinc/17/05/72/473170572.db2.gz INSCDYWNKFQFHQ-ZWKOTPCHSA-N 1 0 338.455 2.814 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160750622 473170682 /nfs/dbraw/zinc/17/06/82/473170682.db2.gz ZOQXJESAEQVOHG-ZWKOTPCHSA-N 1 0 333.476 2.888 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000160766214 473172020 /nfs/dbraw/zinc/17/20/20/473172020.db2.gz JLUAUNZFORPFBH-NWDGAFQWSA-N 1 0 345.424 2.539 20 70 EFIDRO O=C(/C=C/c1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160768563 473173331 /nfs/dbraw/zinc/17/33/31/473173331.db2.gz ZMYXGLFLURTVRZ-VIBWXPCQSA-N 1 0 328.456 2.584 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2OCc2cscn2)C1 ZINC000160774551 473173657 /nfs/dbraw/zinc/17/36/57/473173657.db2.gz VHBZOHWAMYOOEK-OLZOCXBDSA-N 1 0 331.441 2.722 20 70 EFIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C(=O)OC)cs1 ZINC000160778449 473173703 /nfs/dbraw/zinc/17/37/03/473173703.db2.gz AKTPNOKISRPGEN-OLZOCXBDSA-N 1 0 337.445 2.625 20 70 EFIDRO CC[C@@H](C)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)on1 ZINC000160790793 473174845 /nfs/dbraw/zinc/17/48/45/473174845.db2.gz ZPFQAEQVUQYQEP-CYBMUJFWSA-N 1 0 343.431 2.587 20 70 EFIDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160784193 473175226 /nfs/dbraw/zinc/17/52/26/473175226.db2.gz VCVLQYJOXSNRPW-QRQLOZEOSA-N 1 0 345.487 2.890 20 70 EFIDRO COc1ccc(SCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000160806797 473177242 /nfs/dbraw/zinc/17/72/42/473177242.db2.gz SEKAOQSLMCOJMN-QWHCGFSZSA-N 1 0 338.473 2.572 20 70 EFIDRO CC(C)N(C[C@@H](C)O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000160808089 473177819 /nfs/dbraw/zinc/17/78/19/473177819.db2.gz HPMOJOYRQUBCRY-MRXNPFEDSA-N 1 0 347.503 2.624 20 70 EFIDRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160818330 473178338 /nfs/dbraw/zinc/17/83/38/473178338.db2.gz XDQRAICTHVZVJG-MSOLQXFVSA-N 1 0 345.487 2.949 20 70 EFIDRO CCc1ccc(-c2nc(CC(=O)N3CCC[NH2+]CC3)cs2)cc1 ZINC000160816995 473179114 /nfs/dbraw/zinc/17/91/14/473179114.db2.gz RSPVTTOWZZUHPD-UHFFFAOYSA-N 1 0 329.469 2.737 20 70 EFIDRO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)n1 ZINC000160828710 473179507 /nfs/dbraw/zinc/17/95/07/473179507.db2.gz WYGJSHRNKDVXBT-HUUCEWRRSA-N 1 0 330.407 2.628 20 70 EFIDRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2N)CCCC1 ZINC000160837075 473180432 /nfs/dbraw/zinc/18/04/32/473180432.db2.gz MEAFOHLWXOEOTK-UHFFFAOYSA-N 1 0 340.265 2.636 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CC(C)(C)C)nc(N)c21 ZINC000160846751 473182017 /nfs/dbraw/zinc/18/20/17/473182017.db2.gz UZZLUDJQHSNLGJ-UHFFFAOYSA-N 1 0 334.420 2.768 20 70 EFIDRO COCCc1nsc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000160843352 473182584 /nfs/dbraw/zinc/18/25/84/473182584.db2.gz JNVDYRSANSANFY-UKRRQHHQSA-N 1 0 332.473 2.802 20 70 EFIDRO O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000160851458 473183392 /nfs/dbraw/zinc/18/33/92/473183392.db2.gz UKMYYRBREXZOEI-GYCJOSAFSA-N 1 0 342.464 2.933 20 70 EFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)/C=C/c2cnn(C)c2C)c1 ZINC000160857934 473183823 /nfs/dbraw/zinc/18/38/23/473183823.db2.gz ITJUSPSFRIITSH-MDZDMXLPSA-N 1 0 326.444 2.510 20 70 EFIDRO C[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)N(C)Cc1ccccc1 ZINC000160867182 473185234 /nfs/dbraw/zinc/18/52/34/473185234.db2.gz QLXJSKDLRCSTLS-HNNXBMFYSA-N 1 0 325.447 2.826 20 70 EFIDRO COC(=O)c1csc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000160866354 473185300 /nfs/dbraw/zinc/18/53/00/473185300.db2.gz VIDRXYVMHXIUCC-JTQLQIEISA-N 1 0 327.450 2.633 20 70 EFIDRO Cc1ccc(-n2nc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c3c2CCC3)cc1 ZINC000160868114 473185528 /nfs/dbraw/zinc/18/55/28/473185528.db2.gz FFEQCNHJJBQJCL-GJZGRUSLSA-N 1 0 338.455 2.669 20 70 EFIDRO O=C(NCCCc1ccc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000160884855 473186857 /nfs/dbraw/zinc/18/68/57/473186857.db2.gz HFWYIHDHDRWXFR-LBPRGKRZSA-N 1 0 343.240 2.637 20 70 EFIDRO O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCC[NH2+]CC1 ZINC000160878556 473187078 /nfs/dbraw/zinc/18/70/78/473187078.db2.gz RYAAHKDLUYLBBN-UHFFFAOYSA-N 1 0 339.226 2.615 20 70 EFIDRO Cc1c(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC000160883206 473187156 /nfs/dbraw/zinc/18/71/56/473187156.db2.gz DHBGMSDPCNDJJA-FHFZEBMASA-N 1 0 332.492 2.614 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCO1 ZINC000160884945 473187201 /nfs/dbraw/zinc/18/72/01/473187201.db2.gz QSIXAZGAOCLRRM-SJORKVTESA-N 1 0 349.475 2.935 20 70 EFIDRO CC(C)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000160899076 473187908 /nfs/dbraw/zinc/18/79/08/473187908.db2.gz HTBMYASVILMOGE-AWEZNQCLSA-N 1 0 349.500 2.536 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCOc2cccc(Br)c2)C1 ZINC000160942205 473193685 /nfs/dbraw/zinc/19/36/85/473193685.db2.gz JSWAUEDSKZQVQW-STQMWFEESA-N 1 0 341.249 2.604 20 70 EFIDRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CCCc2sccc21 ZINC000160956771 473194313 /nfs/dbraw/zinc/19/43/13/473194313.db2.gz VLYXNASUGZVQMT-INIZCTEOSA-N 1 0 346.500 2.794 20 70 EFIDRO CC[C@@H](C)CS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160969289 473194841 /nfs/dbraw/zinc/19/48/41/473194841.db2.gz TZUFKZQJRRXLFR-ODIFPOPNSA-N 1 0 330.538 2.995 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160973116 473195533 /nfs/dbraw/zinc/19/55/33/473195533.db2.gz BQGGFCLNYJFHJM-KRWDZBQOSA-N 1 0 347.507 2.809 20 70 EFIDRO CCCCN(C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160973591 473195797 /nfs/dbraw/zinc/19/57/97/473195797.db2.gz SAQMZVZKFRIPNK-UHFFFAOYSA-N 1 0 345.553 2.596 20 70 EFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000160980769 473197018 /nfs/dbraw/zinc/19/70/18/473197018.db2.gz RHRRWUNCWZUHFH-WMLDXEAASA-N 1 0 344.480 2.975 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)C1 ZINC000160989211 473197252 /nfs/dbraw/zinc/19/72/52/473197252.db2.gz JYLZXOIXSMQVSZ-LSDHHAIUSA-N 1 0 341.411 2.639 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)C1 ZINC000160989346 473197261 /nfs/dbraw/zinc/19/72/61/473197261.db2.gz JYLZXOIXSMQVSZ-GJZGRUSLSA-N 1 0 341.411 2.639 20 70 EFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000160995630 473197354 /nfs/dbraw/zinc/19/73/54/473197354.db2.gz LWTGSGQOIMNLMS-OAHLLOKOSA-N 1 0 326.444 2.684 20 70 EFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000161003618 473198468 /nfs/dbraw/zinc/19/84/68/473198468.db2.gz HUIKUZWENOQXFZ-RHSMWYFYSA-N 1 0 344.480 2.975 20 70 EFIDRO CCC(CC)(C[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)C(=O)OC ZINC000161001730 473198675 /nfs/dbraw/zinc/19/86/75/473198675.db2.gz CUSGLPSYGHLTNW-UHFFFAOYSA-N 1 0 340.508 2.840 20 70 EFIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NOCc1cccnc1 ZINC000161009787 473198983 /nfs/dbraw/zinc/19/89/83/473198983.db2.gz AKCGDMXNTDBMBZ-SFHVURJKSA-N 1 0 340.427 2.650 20 70 EFIDRO CCCCOCCN(C(=O)[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000161014749 473199056 /nfs/dbraw/zinc/19/90/56/473199056.db2.gz HGQRYTWZUJSWQL-GFCCVEGCSA-N 1 0 343.265 2.946 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161036372 473201002 /nfs/dbraw/zinc/20/10/02/473201002.db2.gz BXEIWTKFFZVWFD-MRXNPFEDSA-N 1 0 338.473 2.511 20 70 EFIDRO [NH3+]C1(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)CCCCC1 ZINC000161041285 473201418 /nfs/dbraw/zinc/20/14/18/473201418.db2.gz YCTSZSJVRBMYIT-IAGOWNOFSA-N 1 0 332.444 2.969 20 70 EFIDRO COC(=O)c1csc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000161047991 473201471 /nfs/dbraw/zinc/20/14/71/473201471.db2.gz GHHKJYVNBWXGMZ-LLVKDONJSA-N 1 0 325.434 2.531 20 70 EFIDRO CN(CC[NH+](C)C)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000161047818 473201497 /nfs/dbraw/zinc/20/14/97/473201497.db2.gz LKDFUSMZPFJESN-UHFFFAOYSA-N 1 0 341.459 2.850 20 70 EFIDRO CCC1(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCC1 ZINC000161049912 473201516 /nfs/dbraw/zinc/20/15/16/473201516.db2.gz WMIMGBUGZXIJTA-INIZCTEOSA-N 1 0 337.508 2.757 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)C1 ZINC000161049617 473201733 /nfs/dbraw/zinc/20/17/33/473201733.db2.gz GJEZAQVAFQAXMC-JYSRZZCRSA-N 1 0 349.519 2.628 20 70 EFIDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](COC)Cc2ccccc2)cc1 ZINC000161043979 473201771 /nfs/dbraw/zinc/20/17/71/473201771.db2.gz PIBKYXBLXBXQHG-GOSISDBHSA-N 1 0 342.439 2.871 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000161055668 473202684 /nfs/dbraw/zinc/20/26/84/473202684.db2.gz MOEDHJNOTMHBPM-LBPRGKRZSA-N 1 0 339.461 2.778 20 70 EFIDRO Cc1cc(-c2noc(CCC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)n2)ccc1F ZINC000161061877 473203165 /nfs/dbraw/zinc/20/31/65/473203165.db2.gz BGDXOVQCYFZCST-ZIAGYGMSSA-N 1 0 346.406 2.503 20 70 EFIDRO O=C(C[C@H]1C[NH2+]CCO1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000161074413 473204439 /nfs/dbraw/zinc/20/44/39/473204439.db2.gz BUGBEZUPDPFWKG-PMACEKPBSA-N 1 0 338.451 2.508 20 70 EFIDRO O=C(Nc1cnn(-c2ccccc2F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000161073024 473204673 /nfs/dbraw/zinc/20/46/73/473204673.db2.gz ZMAFJXATQCTMOU-KCXAZCMYSA-N 1 0 328.391 2.871 20 70 EFIDRO CCc1ncnc(N2CCC(CCC[N@H+](C)CCOC)CC2)c1F ZINC000161080551 473204713 /nfs/dbraw/zinc/20/47/13/473204713.db2.gz BNOOGSOBFKUYOI-UHFFFAOYSA-N 1 0 338.471 2.753 20 70 EFIDRO Cc1cccc(N2CCN(C(=O)C[NH2+][C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000217141871 474142585 /nfs/dbraw/zinc/14/25/85/474142585.db2.gz UKNUSDVRBQEKBX-HKUYNNGSSA-N 1 0 329.488 2.812 20 70 EFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160288475 533819741 /nfs/dbraw/zinc/81/97/41/533819741.db2.gz WGDOILIIWOWFTJ-YJBOKZPZSA-N 1 0 347.459 2.850 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000160261877 533916851 /nfs/dbraw/zinc/91/68/51/533916851.db2.gz VVIAAYQKWIGPSC-NEWSRXKRSA-N 1 0 345.487 2.717 20 70 EFIDRO Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c(Br)c1 ZINC000159803271 533917260 /nfs/dbraw/zinc/91/72/60/533917260.db2.gz LRSHJYCVTICPER-UHFFFAOYSA-N 1 0 325.250 2.845 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000160287475 533918122 /nfs/dbraw/zinc/91/81/22/533918122.db2.gz IJLYEGMCDOOAAV-APWZRJJASA-N 1 0 338.455 2.886 20 70 EFIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160271539 534484731 /nfs/dbraw/zinc/48/47/31/534484731.db2.gz OUPPBXQYOCADGW-QKPAOTATSA-N 1 0 336.501 2.776 20 70 EFIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160271654 534486649 /nfs/dbraw/zinc/48/66/49/534486649.db2.gz OUPPBXQYOCADGW-XUWVNRHRSA-N 1 0 336.501 2.776 20 70 EFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1cccc(O)c1 ZINC000217037237 520586158 /nfs/dbraw/zinc/58/61/58/520586158.db2.gz HKZPAPNKRIDDGW-KRWDZBQOSA-N 1 0 333.476 2.889 20 70 EFIDRO CC[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000218688836 521261466 /nfs/dbraw/zinc/26/14/66/521261466.db2.gz LWMNWGZBKMCQRW-QZTJIDSGSA-N 1 0 327.424 2.752 20 70 EFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc2c(cc1Br)OCO2 ZINC000217375967 522061129 /nfs/dbraw/zinc/06/11/29/522061129.db2.gz YYBYYKPUSUJIBG-LLVKDONJSA-N 1 0 343.265 2.998 20 70 EFIDRO O=C(COc1ccc(F)cc1Cl)N1CCC([NH2+]CC2CC2)CC1 ZINC000159736196 534622858 /nfs/dbraw/zinc/62/28/58/534622858.db2.gz FSLPQMNRVDAMTJ-UHFFFAOYSA-N 1 0 340.826 2.849 20 70 EFIDRO C[N@H+](CCCOc1cccc2ccccc21)CCN1CCOCC1 ZINC000217162843 522784005 /nfs/dbraw/zinc/78/40/05/522784005.db2.gz MYGBNJNFXCYMOD-UHFFFAOYSA-N 1 0 328.456 2.873 20 70 EFIDRO Cc1cnccc1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000159910702 534697771 /nfs/dbraw/zinc/69/77/71/534697771.db2.gz MPAVSACJFZZLRT-OAHLLOKOSA-N 1 0 332.492 2.742 20 70 EFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCC(=O)C[C@H]2C)c1 ZINC000159637796 534705474 /nfs/dbraw/zinc/70/54/74/534705474.db2.gz KYANIAHCLCOCBC-APWZRJJASA-N 1 0 330.472 2.891 20 70 EFIDRO C[C@H](CC1CC1)[NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000160397564 524097183 /nfs/dbraw/zinc/09/71/83/524097183.db2.gz BTKGFWHLRAYZBJ-OAHLLOKOSA-N 1 0 333.451 2.643 20 70 EFIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc2c(s1)CCCC2 ZINC000160387355 525401436 /nfs/dbraw/zinc/40/14/36/525401436.db2.gz PEWWRFIAUULLJL-CQSZACIVSA-N 1 0 349.544 2.830 20 70 EFIDRO O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160158813 534874371 /nfs/dbraw/zinc/87/43/71/534874371.db2.gz BQERFUIWOVWEBQ-HNNXBMFYSA-N 1 0 342.892 2.979 20 70 EFIDRO CC(=O)NC1CCC([NH2+][C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000161203878 526702375 /nfs/dbraw/zinc/70/23/75/526702375.db2.gz SSRXEFWHEQQZDN-SOAGJPPSSA-N 1 0 329.488 2.860 20 70 EFIDRO CC(C)(C)c1nsc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000160152092 526906428 /nfs/dbraw/zinc/90/64/28/526906428.db2.gz JKQNXKLXPBOQCC-HUUCEWRRSA-N 1 0 346.500 2.883 20 70 EFIDRO CC(C)([NH3+])CNC(=O)CCc1cc(Cl)ccc1Br ZINC000160005910 527244463 /nfs/dbraw/zinc/24/44/63/527244463.db2.gz AYTFZTDKKHYBDA-UHFFFAOYSA-N 1 0 333.657 2.889 20 70 EFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159583323 527457372 /nfs/dbraw/zinc/45/73/72/527457372.db2.gz LDZDHBRDOSLGCS-UHFFFAOYSA-N 1 0 345.487 2.692 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000159412643 528023804 /nfs/dbraw/zinc/02/38/04/528023804.db2.gz DSTIMJYHWCYKRK-MRXNPFEDSA-N 1 0 345.487 2.843 20 70 EFIDRO CC[NH+](CC)CCCCNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000159668052 528099021 /nfs/dbraw/zinc/09/90/21/528099021.db2.gz GVVILVUKLLCWPB-UHFFFAOYSA-N 1 0 335.423 2.562 20 70 EFIDRO CC(C)CONC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000159714678 528117854 /nfs/dbraw/zinc/11/78/54/528117854.db2.gz VJCAQRAGJDWBJG-UHFFFAOYSA-N 1 0 337.489 2.987 20 70 EFIDRO CCC[C@H](CCO)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159926323 528119853 /nfs/dbraw/zinc/11/98/53/528119853.db2.gz JUUQPQZATCEODD-YQVWRLOYSA-N 1 0 347.503 2.747 20 70 EFIDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ccc2nnc(C)n2n1 ZINC000161189272 528125448 /nfs/dbraw/zinc/12/54/48/528125448.db2.gz OXPYFTJFCSONFU-UHFFFAOYSA-N 1 0 338.459 2.781 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](O)c2ccccc2)c1 ZINC000159976188 528193880 /nfs/dbraw/zinc/19/38/80/528193880.db2.gz YXXFKBXIFFEHPH-IBGZPJMESA-N 1 0 326.440 2.878 20 70 EFIDRO CC(C)c1nc(C(=O)NCC(C)(C)[NH3+])nn1-c1ccccc1Cl ZINC000160049234 528260676 /nfs/dbraw/zinc/26/06/76/528260676.db2.gz UNJUJWJJTJHJOO-UHFFFAOYSA-N 1 0 335.839 2.511 20 70 EFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000160202312 528269434 /nfs/dbraw/zinc/26/94/34/528269434.db2.gz ZWHGVCIAAZOGGJ-OAHLLOKOSA-N 1 0 349.438 2.868 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)NCCc1ccncc1C)c1ccco1 ZINC000160215536 528274748 /nfs/dbraw/zinc/27/47/48/528274748.db2.gz PEONMQPMUKTSFZ-QGZVFWFLSA-N 1 0 344.459 2.908 20 70 EFIDRO CC(C)C[C@@H](CO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159496680 528339754 /nfs/dbraw/zinc/33/97/54/528339754.db2.gz LRJRVCAIQIPPDC-SFHVURJKSA-N 1 0 332.488 2.812 20 70 EFIDRO CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CC[NH2+]CC1 ZINC000159390442 528372018 /nfs/dbraw/zinc/37/20/18/528372018.db2.gz WUIYKQHYDBXAKW-UHFFFAOYSA-N 1 0 343.393 2.987 20 70 EFIDRO CCC[C@H]1CN(C(=O)Nc2ccc(Cl)nc2)CC[N@@H+]1CCOC ZINC000160010149 528396217 /nfs/dbraw/zinc/39/62/17/528396217.db2.gz UUJAQGLRHONHSN-AWEZNQCLSA-N 1 0 340.855 2.700 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000161192439 528651172 /nfs/dbraw/zinc/65/11/72/528651172.db2.gz QDOJSEXFOSAVSO-UHFFFAOYSA-N 1 0 345.487 2.945 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000161180257 528651732 /nfs/dbraw/zinc/65/17/32/528651732.db2.gz VYRZVNLHSUGDJQ-UHFFFAOYSA-N 1 0 345.365 2.682 20 70 EFIDRO CCCCOc1c(Cl)cc(C(=O)NCCC[NH3+])cc1OCC ZINC000160071315 528652995 /nfs/dbraw/zinc/65/29/95/528652995.db2.gz BUVDOOUGTXTFPQ-UHFFFAOYSA-N 1 0 328.840 2.996 20 70 EFIDRO CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CC[C@@H]([NH3+])C3)c12 ZINC000160270860 528793045 /nfs/dbraw/zinc/79/30/45/528793045.db2.gz IZVMYZZIRRQISQ-LLVKDONJSA-N 1 0 340.383 2.609 20 70 EFIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NOCc1cccnc1 ZINC000161059609 528837141 /nfs/dbraw/zinc/83/71/41/528837141.db2.gz ALOXURSYECKKQF-UHFFFAOYSA-N 1 0 342.443 2.853 20 70 EFIDRO CC(C)[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160270394 528976285 /nfs/dbraw/zinc/97/62/85/528976285.db2.gz IWSRRDFINQXDMO-MOPGFXCFSA-N 1 0 332.488 2.779 20 70 EFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000159768352 529009635 /nfs/dbraw/zinc/00/96/35/529009635.db2.gz WWPFVTOZDJFKEK-HNNXBMFYSA-N 1 0 333.457 2.936 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3c2cccc3C)CC1 ZINC000159901911 529025073 /nfs/dbraw/zinc/02/50/73/529025073.db2.gz FJHGMBDGBXPFEX-UHFFFAOYSA-N 1 0 328.460 2.756 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCC[C@H](C)c2ccc(OC)cc2)CC1 ZINC000159907145 529025381 /nfs/dbraw/zinc/02/53/81/529025381.db2.gz TUZGHYCEYIPDIB-INIZCTEOSA-N 1 0 333.476 2.926 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000159880285 529026675 /nfs/dbraw/zinc/02/66/75/529026675.db2.gz WKRKVZJTZSTYEE-CVEARBPZSA-N 1 0 325.497 2.565 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000159678578 529027840 /nfs/dbraw/zinc/02/78/40/529027840.db2.gz OCSZDGJDDWBAFB-UHFFFAOYSA-N 1 0 346.294 2.748 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000159775045 529029163 /nfs/dbraw/zinc/02/91/63/529029163.db2.gz UHNHWPRBDHRSBC-MRXNPFEDSA-N 1 0 333.476 2.754 20 70 EFIDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCCO3)c(C)c2)CC1 ZINC000159949431 529153496 /nfs/dbraw/zinc/15/34/96/529153496.db2.gz AFPCCYLHQFHHOE-GOSISDBHSA-N 1 0 331.460 2.645 20 70 EFIDRO CC[C@H](C)OCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000159753802 529186302 /nfs/dbraw/zinc/18/63/02/529186302.db2.gz OYNXOQYXSUMSFM-HNNXBMFYSA-N 1 0 333.476 2.971 20 70 EFIDRO CC[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)Oc1cccc(C)c1 ZINC000159951158 529343240 /nfs/dbraw/zinc/34/32/40/529343240.db2.gz NNFBGVLZWJZQON-QGZVFWFLSA-N 1 0 333.476 2.890 20 70 EFIDRO CC[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)Oc1ccccc1F ZINC000159947097 529343323 /nfs/dbraw/zinc/34/33/23/529343323.db2.gz KAUKILIMGQHLPC-OAHLLOKOSA-N 1 0 337.439 2.720 20 70 EFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000160118966 529343733 /nfs/dbraw/zinc/34/37/33/529343733.db2.gz LDDOEGTZPKDZQG-CABCVRRESA-N 1 0 341.521 2.829 20 70 EFIDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000159393903 529520200 /nfs/dbraw/zinc/52/02/00/529520200.db2.gz XRARDMBSMUSDIN-HOCLYGCPSA-N 1 0 342.505 2.793 20 70 EFIDRO CCc1ccc([C@@H](C)CC(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000160336544 529703416 /nfs/dbraw/zinc/70/34/16/529703416.db2.gz VTEBSEKGWHMXES-INIZCTEOSA-N 1 0 332.488 2.970 20 70 EFIDRO CCc1ccc([C@H](C)CC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000159688513 529719260 /nfs/dbraw/zinc/71/92/60/529719260.db2.gz HWXXWVYHBWQMNL-GOSISDBHSA-N 1 0 345.531 2.839 20 70 EFIDRO C[NH+]1CCN(c2cc(CNC(=O)C(C)(C)C3CCCC3)ccn2)CC1 ZINC000159781081 529776866 /nfs/dbraw/zinc/77/68/66/529776866.db2.gz XNWBLABSDPLLPC-UHFFFAOYSA-N 1 0 344.503 2.666 20 70 EFIDRO CN1CCc2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc2C1=O ZINC000160795836 529813412 /nfs/dbraw/zinc/81/34/12/529813412.db2.gz JHTZKRQSHMYJBK-NVXWUHKLSA-N 1 0 329.444 2.551 20 70 EFIDRO CN(CCC(=O)Nc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160106033 529871269 /nfs/dbraw/zinc/87/12/69/529871269.db2.gz ZANGVGFOEHHIDJ-CYBMUJFWSA-N 1 0 330.259 2.991 20 70 EFIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000159958511 290707531 /nfs/dbraw/zinc/70/75/31/290707531.db2.gz SGDZZQQWTQBWHP-QFBILLFUSA-N 1 0 326.440 2.916 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000161166104 529988879 /nfs/dbraw/zinc/98/88/79/529988879.db2.gz UVIFFBSDJGHFNF-INIZCTEOSA-N 1 0 327.428 2.875 20 70 EFIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000159381060 529999869 /nfs/dbraw/zinc/99/98/69/529999869.db2.gz WNIQEMPMYZWANT-UHFFFAOYSA-N 1 0 331.485 2.847 20 70 EFIDRO C[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000159569575 530050213 /nfs/dbraw/zinc/05/02/13/530050213.db2.gz QPQABGMGKJHPEL-AWEZNQCLSA-N 1 0 337.851 2.597 20 70 EFIDRO CN(C)[C@H](CNC(=O)c1cccc2[nH]cnc21)c1c(F)cccc1F ZINC000159557982 239029785 /nfs/dbraw/zinc/02/97/85/239029785.db2.gz GDBYUYOMFGJTHY-OAHLLOKOSA-N 1 0 344.365 2.874 20 70 EFIDRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000159471994 239030854 /nfs/dbraw/zinc/03/08/54/239030854.db2.gz GHBYEIFIRBLLCP-IAGOWNOFSA-N 1 0 344.480 2.917 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cccc(-n2ccnc2)c1 ZINC000159709596 239033196 /nfs/dbraw/zinc/03/31/96/239033196.db2.gz SIMRPVIGDQKPJX-UHFFFAOYSA-N 1 0 326.444 2.915 20 70 EFIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000159475661 239029266 /nfs/dbraw/zinc/02/92/66/239029266.db2.gz DDKPXISTQKICGP-CALCHBBNSA-N 1 0 348.874 2.741 20 70 EFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160759609 284492696 /nfs/dbraw/zinc/49/26/96/284492696.db2.gz ZDOLBFPUCWKNIZ-SJLPKXTDSA-N 1 0 345.487 2.587 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)C1 ZINC000160789946 533038014 /nfs/dbraw/zinc/03/80/14/533038014.db2.gz UFJLYUGBTFPMIU-KRWDZBQOSA-N 1 0 336.435 2.968 20 70 EFIDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159513579 533055215 /nfs/dbraw/zinc/05/52/15/533055215.db2.gz AUJPDHOOYPUNGE-VHSSKADRSA-N 1 0 333.428 2.760 20 70 EFIDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159513712 533054891 /nfs/dbraw/zinc/05/48/91/533054891.db2.gz AUJPDHOOYPUNGE-KKXDTOCCSA-N 1 0 333.428 2.760 20 70 EFIDRO COc1ccc([C@H](CNC(=O)[C@H]2CCCCO2)[NH+]2CCCC2)cc1 ZINC000159848563 533181728 /nfs/dbraw/zinc/18/17/28/533181728.db2.gz FFPAISQBYKDNLY-ZWKOTPCHSA-N 1 0 332.444 2.517 20 70 EFIDRO COc1ccc([C@H](CNC(=O)[C@H]2CCCCO2)[NH+]2CCCCC2)cc1 ZINC000159881827 533181149 /nfs/dbraw/zinc/18/11/49/533181149.db2.gz CWFJZPSJBHNRJJ-RBUKOAKNSA-N 1 0 346.471 2.908 20 70 EFIDRO CO[C@@H]1CCN(Cc2cc(F)ccc2Br)[C@H](C[NH3+])C1 ZINC000161210294 533416090 /nfs/dbraw/zinc/41/60/90/533416090.db2.gz LYCTYHKDXIREOQ-QWHCGFSZSA-N 1 0 331.229 2.526 20 70 EFIDRO COc1cccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c1OC1CCCC1 ZINC000159857589 533503927 /nfs/dbraw/zinc/50/39/27/533503927.db2.gz LIQRAILHXUMUSN-OAHLLOKOSA-N 1 0 332.444 2.632 20 70 EFIDRO COc1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)cc1Cl ZINC000159743049 533593601 /nfs/dbraw/zinc/59/36/01/533593601.db2.gz JQJYEQNVJMKJNK-UHFFFAOYSA-N 1 0 327.856 2.830 20 70 EFIDRO CSCC[C@H]([NH3+])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160125966 533646156 /nfs/dbraw/zinc/64/61/56/533646156.db2.gz OKBVMLWVEDCVSB-DLBZAZTESA-N 1 0 336.501 2.667 20 70 EFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000159380358 533649462 /nfs/dbraw/zinc/64/94/62/533649462.db2.gz IQQSZIVRYJXZAM-CVEARBPZSA-N 1 0 326.440 2.917 20 70 EFIDRO CCOCCC1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000161343373 286046788 /nfs/dbraw/zinc/04/67/88/286046788.db2.gz UNMCGFMPMLCLEJ-AEFFLSMTSA-N 1 0 349.519 2.852 20 70 EFIDRO C[C@@H](CC(N)=O)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000161370792 286800562 /nfs/dbraw/zinc/80/05/62/286800562.db2.gz TWVHLOLYZHFADV-CABZTGNLSA-N 1 0 327.222 2.516 20 70 EFIDRO Nc1c(Cl)cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000159497567 225228376 /nfs/dbraw/zinc/22/83/76/225228376.db2.gz KQGNAERLRQDAFX-UHFFFAOYSA-N 1 0 328.243 2.932 20 70 EFIDRO O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC[NH2+]CC1 ZINC000159368231 225203208 /nfs/dbraw/zinc/20/32/08/225203208.db2.gz ZRZCGJJMCUFBHG-KBPBESRZSA-N 1 0 327.453 2.778 20 70 EFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000159426249 225214559 /nfs/dbraw/zinc/21/45/59/225214559.db2.gz FLVQGUFRTUVNRW-HOTGVXAUSA-N 1 0 326.440 2.593 20 70 EFIDRO COCC(C)(C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000159465621 225223083 /nfs/dbraw/zinc/22/30/83/225223083.db2.gz OHMJZDNCNQUZSS-QGZVFWFLSA-N 1 0 334.460 2.621 20 70 EFIDRO COCC(C)(C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000159465474 225223988 /nfs/dbraw/zinc/22/39/88/225223988.db2.gz OHMJZDNCNQUZSS-KRWDZBQOSA-N 1 0 334.460 2.621 20 70 EFIDRO C[C@H]1OCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H]1C ZINC000159866989 225294216 /nfs/dbraw/zinc/29/42/16/225294216.db2.gz ODVCBNXBBLIPSW-JKSUJKDBSA-N 1 0 331.460 2.601 20 70 EFIDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC2(CCC2)C1 ZINC000160018975 225320830 /nfs/dbraw/zinc/32/08/30/225320830.db2.gz YFGIDWNRHNKVQF-UHFFFAOYSA-N 1 0 328.460 2.632 20 70 EFIDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000159596498 225247048 /nfs/dbraw/zinc/24/70/48/225247048.db2.gz WUONVCTZKUBABU-LLVKDONJSA-N 1 0 348.390 2.966 20 70 EFIDRO O=C(Cc1cccc(OC(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000160241738 225369491 /nfs/dbraw/zinc/36/94/91/225369491.db2.gz AAKQLPBTYNLGIP-UHFFFAOYSA-N 1 0 342.361 2.871 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000160262233 225373112 /nfs/dbraw/zinc/37/31/12/225373112.db2.gz VVIAAYQKWIGPSC-YTQUADARSA-N 1 0 345.487 2.717 20 70 EFIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160271363 225376489 /nfs/dbraw/zinc/37/64/89/225376489.db2.gz OUPPBXQYOCADGW-QXSJWSMHSA-N 1 0 336.501 2.776 20 70 EFIDRO Cc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1OCC1CCOCC1 ZINC000160277618 225378233 /nfs/dbraw/zinc/37/82/33/225378233.db2.gz DWGWKVDUCHSPNG-IBGZPJMESA-N 1 0 332.444 2.739 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000160283336 225380368 /nfs/dbraw/zinc/38/03/68/225380368.db2.gz WRDNEAGDIHOXLQ-KRWDZBQOSA-N 1 0 341.386 2.641 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)N(C)CCOCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160337404 225389878 /nfs/dbraw/zinc/38/98/78/225389878.db2.gz HRTJJGPBXPMPAF-LPHOPBHVSA-N 1 0 345.487 2.717 20 70 EFIDRO O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160125802 225343219 /nfs/dbraw/zinc/34/32/19/225343219.db2.gz IUQOCUCRDKEFRC-HNNXBMFYSA-N 1 0 342.892 2.979 20 70 EFIDRO Cc1c(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cnn1C ZINC000160147831 225347837 /nfs/dbraw/zinc/34/78/37/225347837.db2.gz XGGRHMVEKRXKJN-UHFFFAOYSA-N 1 0 343.475 2.568 20 70 EFIDRO O=S(=O)(c1ccc(F)cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160175651 225355516 /nfs/dbraw/zinc/35/55/16/225355516.db2.gz OQIFUFJYDGOFSX-CQSZACIVSA-N 1 0 344.427 2.604 20 70 EFIDRO COCCc1nsc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000160217267 225363313 /nfs/dbraw/zinc/36/33/13/225363313.db2.gz WZWWFPYUGYNVMK-HIFRSBDPSA-N 1 0 332.473 2.659 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000160214728 225363942 /nfs/dbraw/zinc/36/39/42/225363942.db2.gz DKIROWSZJFFSQN-NSHDSACASA-N 1 0 339.226 2.742 20 70 EFIDRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000160225852 225365304 /nfs/dbraw/zinc/36/53/04/225365304.db2.gz NFPIWGSRDGYCPC-JVPBZIDWSA-N 1 0 348.462 2.813 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nc2ccccc2c(=O)[nH]1 ZINC000160228856 225365485 /nfs/dbraw/zinc/36/54/85/225365485.db2.gz RXVYTKMTGDZPBI-KSSFIOAISA-N 1 0 334.423 2.856 20 70 EFIDRO C[NH+](C)CC1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000161250166 225584043 /nfs/dbraw/zinc/58/40/43/225584043.db2.gz WAQBWZDTUAYVGJ-PIMMBPRGSA-N 1 0 337.489 2.845 20 70 EFIDRO COCCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc(OC)cc2)CC1 ZINC000161179850 225568283 /nfs/dbraw/zinc/56/82/83/225568283.db2.gz MZUHGULULJMZSF-UHFFFAOYSA-N 1 0 348.487 2.590 20 70 EFIDRO C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000161229513 225579081 /nfs/dbraw/zinc/57/90/81/225579081.db2.gz JTULNTYCDRNFNH-HOTGVXAUSA-N 1 0 345.487 2.786 20 70 EFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1cccc(-n2cnnn2)c1 ZINC000159900049 544799492 /nfs/dbraw/zinc/79/94/92/544799492.db2.gz CUSSGVIXXKVFBF-JKSUJKDBSA-N 1 0 348.454 2.764 20 70 EFIDRO C[C@H](NC(=O)Nc1ccccc1OC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000159814206 544799799 /nfs/dbraw/zinc/79/97/99/544799799.db2.gz FHXVEWMXOGCYRL-XJKSGUPXSA-N 1 0 335.448 2.705 20 70 EFIDRO COc1ccc([C@@H](CNC(=O)NC2CC=CC2)[NH+]2CCCC2)cc1 ZINC000160290915 544803731 /nfs/dbraw/zinc/80/37/31/544803731.db2.gz WGNPFWIOUBAMJX-GOSISDBHSA-N 1 0 329.444 2.850 20 70 EFIDRO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160750579 544807671 /nfs/dbraw/zinc/80/76/71/544807671.db2.gz HOKYXUNBYPUCFV-HZMBPMFUSA-N 1 0 330.350 2.735 20 70 EFIDRO CC(C)[C@@H](C(=O)NCc1ccc(COC2CCOCC2)cc1)[NH+](C)C ZINC000161306570 544812596 /nfs/dbraw/zinc/81/25/96/544812596.db2.gz VIUQBQAMLALNSD-IBGZPJMESA-N 1 0 348.487 2.585 20 70 EFIDRO C[C@H]1OCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1C ZINC000161306588 544812883 /nfs/dbraw/zinc/81/28/83/544812883.db2.gz VFWPPWDKZWMLBU-LSDHHAIUSA-N 1 0 349.450 2.609 20 70 EFIDRO Cc1cccc2c(O)c(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cnc12 ZINC000161366013 544813690 /nfs/dbraw/zinc/81/36/90/544813690.db2.gz IBRPFUXXSAJNKU-UHFFFAOYSA-N 1 0 348.406 2.606 20 70 EFIDRO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161381461 544813700 /nfs/dbraw/zinc/81/37/00/544813700.db2.gz UTUPIJASUIRJDT-CYBMUJFWSA-N 1 0 346.381 2.509 20 70 EFIDRO Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000161377621 544813717 /nfs/dbraw/zinc/81/37/17/544813717.db2.gz PNYJULULEGJKDV-QGZVFWFLSA-N 1 0 338.455 2.848 20 70 EFIDRO Cc1nccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000159429441 544796437 /nfs/dbraw/zinc/79/64/37/544796437.db2.gz PWQDGHUERAWCNT-UHFFFAOYSA-N 1 0 331.807 2.793 20 70 EFIDRO C[C@H](CC(=O)NCc1ccccc1OCC[NH+](C)C)c1ccncc1 ZINC000159560099 544797376 /nfs/dbraw/zinc/79/73/76/544797376.db2.gz UXWRTTYFGIPCFQ-MRXNPFEDSA-N 1 0 341.455 2.832 20 70 EFIDRO CC[C@H](C)Oc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC ZINC000159742927 544798698 /nfs/dbraw/zinc/79/86/98/544798698.db2.gz CYFWDWMLBTTZDJ-AWEZNQCLSA-N 1 0 334.460 2.960 20 70 EFIDRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CC[C@@H]([NH3+])C3)c21 ZINC000160303815 275777863 /nfs/dbraw/zinc/77/78/63/275777863.db2.gz USTIINJHJWZTEY-LLVKDONJSA-N 1 0 340.383 2.779 20 70 EFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(C)C(C)C ZINC000160034656 276121467 /nfs/dbraw/zinc/12/14/67/276121467.db2.gz DFHAAUONQAVMGJ-KRWDZBQOSA-N 1 0 346.519 2.875 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000161285061 276208543 /nfs/dbraw/zinc/20/85/43/276208543.db2.gz REEBPEIIPAIVHG-UHFFFAOYSA-N 1 0 332.492 2.843 20 70 EFIDRO CCN(C(=O)NC[C@@H]1CCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159652127 276299837 /nfs/dbraw/zinc/29/98/37/276299837.db2.gz RRLCACOCZQZODA-MOPGFXCFSA-N 1 0 345.487 2.862 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000161193796 277284664 /nfs/dbraw/zinc/28/46/64/277284664.db2.gz BMSONBJATCSGBI-WDEREUQCSA-N 1 0 331.243 2.971 20 70 EFIDRO C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)N1CCc2sccc2C1 ZINC000159882652 278286455 /nfs/dbraw/zinc/28/64/55/278286455.db2.gz MGSKDIYEJAQNFS-BBRMVZONSA-N 1 0 330.501 2.895 20 70 EFIDRO CCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000159561216 279000881 /nfs/dbraw/zinc/00/08/81/279000881.db2.gz VVEOIAKFNYCLPP-WFASDCNBSA-N 1 0 344.377 2.993 20 70 EFIDRO CC(C)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[NH+]1CCCC1 ZINC000160815823 280247379 /nfs/dbraw/zinc/24/73/79/280247379.db2.gz JJZXPGVZUUGSRH-FJIDUMEYSA-N 1 0 349.519 2.754 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000160222390 295252168 /nfs/dbraw/zinc/25/21/68/295252168.db2.gz QPIPOYFXRHPKLV-AWEZNQCLSA-N 1 0 333.819 2.877 20 70 EFIDRO C[C@@]([NH2+]CCCOCCc1ccccc1)(C(N)=O)c1ccccc1 ZINC000159931178 297840821 /nfs/dbraw/zinc/84/08/21/297840821.db2.gz DOSRBMFEGXWMRI-FQEVSTJZSA-N 1 0 326.440 2.626 20 70 EFIDRO COCCC1(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCCC1 ZINC000159630443 310689422 /nfs/dbraw/zinc/68/94/22/310689422.db2.gz VGXJVBYGLWETLE-SFHVURJKSA-N 1 0 332.488 2.872 20 70 EFIDRO CCOC(=O)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000159646780 310689628 /nfs/dbraw/zinc/68/96/28/310689628.db2.gz MCJVSRGOFLRJLR-UHFFFAOYSA-N 1 0 332.444 2.554 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)nc1)c1cccs1 ZINC000159649968 310689668 /nfs/dbraw/zinc/68/96/68/310689668.db2.gz JHIHWNSENGSUFK-JTQLQIEISA-N 1 0 344.362 2.590 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000159901989 310692827 /nfs/dbraw/zinc/69/28/27/310692827.db2.gz WIIIJUHXHJMJFL-UONOGXRCSA-N 1 0 325.474 2.946 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)c1 ZINC000160136046 310695182 /nfs/dbraw/zinc/69/51/82/310695182.db2.gz LDSLVSLAOFPAPA-QZTJIDSGSA-N 1 0 333.476 2.895 20 70 EFIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160132984 310695259 /nfs/dbraw/zinc/69/52/59/310695259.db2.gz TWYXGPJCQXAKLZ-QZTJIDSGSA-N 1 0 331.460 2.649 20 70 EFIDRO CCN(CC)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000160343600 310697901 /nfs/dbraw/zinc/69/79/01/310697901.db2.gz YWZQGROOHZHYRH-UHFFFAOYSA-N 1 0 340.471 2.919 20 70 EFIDRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000160520829 310700054 /nfs/dbraw/zinc/70/00/54/310700054.db2.gz OORHXZHGOVPOJG-MOPGFXCFSA-N 1 0 347.503 2.617 20 70 EFIDRO C[C@@H]1C[NH+](CCCNC(=O)c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000160787212 310702785 /nfs/dbraw/zinc/70/27/85/310702785.db2.gz DXZSSRAWYOWBKS-CHWSQXEVSA-N 1 0 333.457 2.525 20 70 EFIDRO CC[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(F)cc1F ZINC000160927661 310704286 /nfs/dbraw/zinc/70/42/86/310704286.db2.gz DHIVRBPJYCRHDX-AWEZNQCLSA-N 1 0 339.386 2.726 20 70 EFIDRO CCC[C@H]1CN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CCO1 ZINC000161062460 310705706 /nfs/dbraw/zinc/70/57/06/310705706.db2.gz BFWHJXCHXBBAKP-ZWKOTPCHSA-N 1 0 333.476 2.808 20 70 EFIDRO CC(C)CC(=O)N1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000161317391 310708114 /nfs/dbraw/zinc/70/81/14/310708114.db2.gz XUYQGOAJWXPICJ-UHFFFAOYSA-N 1 0 345.487 2.515 20 70 EFIDRO CCN(CCc1nccs1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000161461998 310709551 /nfs/dbraw/zinc/70/95/51/310709551.db2.gz OGKWZKRRRWDZAZ-UHFFFAOYSA-N 1 0 346.500 2.979 20 70 EFIDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1c(F)cccc1Br ZINC000161087505 473205329 /nfs/dbraw/zinc/20/53/29/473205329.db2.gz VOPXDVFTNWVSEG-JTQLQIEISA-N 1 0 341.224 2.993 20 70 EFIDRO C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H]1c1ccccc1 ZINC000161093055 473206418 /nfs/dbraw/zinc/20/64/18/473206418.db2.gz OXOAAYQSAGADJY-WMLDXEAASA-N 1 0 327.432 2.670 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000161097612 473206663 /nfs/dbraw/zinc/20/66/63/473206663.db2.gz ISLGSSADBHMXLN-KGLIPLIRSA-N 1 0 337.261 2.867 20 70 EFIDRO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000161110076 473207031 /nfs/dbraw/zinc/20/70/31/473207031.db2.gz ATXLJNISVCSRAU-QZTJIDSGSA-N 1 0 347.503 2.920 20 70 EFIDRO COc1c(Br)c(C)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161024354 473199870 /nfs/dbraw/zinc/19/98/70/473199870.db2.gz DPMITJVBIPRXSK-BDAKNGLRSA-N 1 0 347.278 2.827 20 70 EFIDRO CC[C@@H]1CN(C(=O)c2c(F)cccc2Br)CC[C@@H]1[NH3+] ZINC000161114444 473207957 /nfs/dbraw/zinc/20/79/57/473207957.db2.gz OOFASMXEXIAHAU-SKDRFNHKSA-N 1 0 329.213 2.788 20 70 EFIDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Cl)c(F)c2)CC1 ZINC000161112751 473208478 /nfs/dbraw/zinc/20/84/78/473208478.db2.gz VOLLVAFFIXQIBF-UHFFFAOYSA-N 1 0 328.815 2.847 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@H](C)[C@@H]2C)c1 ZINC000161121548 473209298 /nfs/dbraw/zinc/20/92/98/473209298.db2.gz MCGFSOOHRRFNAD-JKSUJKDBSA-N 1 0 333.476 2.847 20 70 EFIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccccc1CO ZINC000161137077 473211331 /nfs/dbraw/zinc/21/13/31/473211331.db2.gz RBVBEBPDHVZRRO-MRXNPFEDSA-N 1 0 333.476 2.633 20 70 EFIDRO COc1cccc(O[C@H](C)CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000161130109 473210317 /nfs/dbraw/zinc/21/03/17/473210317.db2.gz CYGIGDLGXVXDJV-ARFHVFGLSA-N 1 0 334.460 2.605 20 70 EFIDRO C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)Oc1cccc(F)c1 ZINC000161152335 473212166 /nfs/dbraw/zinc/21/21/66/473212166.db2.gz OLWIEIPOOZHIFU-FZKQIMNGSA-N 1 0 328.387 2.596 20 70 EFIDRO COc1cc(Cl)c(C(=O)N(CC[NH+](C)C)C(C)C)cc1OC ZINC000161183376 473214789 /nfs/dbraw/zinc/21/47/89/473214789.db2.gz WWPGDWAFQSNJEX-UHFFFAOYSA-N 1 0 328.840 2.769 20 70 EFIDRO CCc1ncc(NC(=O)NC[C@H](C)N2CCc3sccc3C2)cn1 ZINC000161178859 473215121 /nfs/dbraw/zinc/21/51/21/473215121.db2.gz PJAKTLVOPYYSDN-LBPRGKRZSA-N 1 0 345.472 2.669 20 70 EFIDRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@H]1CC[NH2+]C1 ZINC000161177444 473215451 /nfs/dbraw/zinc/21/54/51/473215451.db2.gz UMPUJAFXQLRTSP-LBPRGKRZSA-N 1 0 326.362 2.853 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000161187285 473216303 /nfs/dbraw/zinc/21/63/03/473216303.db2.gz JXGRYLDIFZWETE-SECBINFHSA-N 1 0 325.821 2.881 20 70 EFIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000161201866 473217287 /nfs/dbraw/zinc/21/72/87/473217287.db2.gz XHIUMZMMHFNSLC-RHSMWYFYSA-N 1 0 328.460 2.985 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000161214900 473218297 /nfs/dbraw/zinc/21/82/97/473218297.db2.gz ZNERCVGNGMUHAU-QWHCGFSZSA-N 1 0 332.473 2.568 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC000161261261 473221375 /nfs/dbraw/zinc/22/13/75/473221375.db2.gz JDCMSWQIXYNYLO-OAHLLOKOSA-N 1 0 346.475 2.739 20 70 EFIDRO c1nn(-c2ccccc2)cc1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161264736 473222201 /nfs/dbraw/zinc/22/22/01/473222201.db2.gz UNJCCRDNAGRFBF-UHFFFAOYSA-N 1 0 327.428 2.690 20 70 EFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000161280511 473224220 /nfs/dbraw/zinc/22/42/20/473224220.db2.gz QZAHNNARIVTACE-WBMJQRKESA-N 1 0 330.407 2.674 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1ccccc1OC(F)(F)F ZINC000161319641 473226236 /nfs/dbraw/zinc/22/62/36/473226236.db2.gz HKVILDUDKUAJMM-CYBMUJFWSA-N 1 0 330.350 2.728 20 70 EFIDRO COCc1nc2n(n1)C[C@H](Nc1cc[nH+]c3cc(F)ccc13)CC2 ZINC000161336065 473227049 /nfs/dbraw/zinc/22/70/49/473227049.db2.gz WEQJBFWJARSLHN-GFCCVEGCSA-N 1 0 327.363 2.539 20 70 EFIDRO O=C(COc1ccc2c(c1)CCCC2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161341996 473228767 /nfs/dbraw/zinc/22/87/67/473228767.db2.gz XDBJWMFGEIBOBY-SFHVURJKSA-N 1 0 328.456 2.641 20 70 EFIDRO CCCCOc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000161353714 473229534 /nfs/dbraw/zinc/22/95/34/473229534.db2.gz MTRJRWLEPNWVSM-IBGZPJMESA-N 1 0 334.460 2.880 20 70 EFIDRO CC(=O)NC1CCC([NH2+][C@@H](C)COc2ccc(F)cc2F)CC1 ZINC000161355836 473229637 /nfs/dbraw/zinc/22/96/37/473229637.db2.gz WHSWMKMQABNELA-QGLTVNCISA-N 1 0 326.387 2.769 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CC[C@H](C)[C@@H]3C)nc(N)c21 ZINC000161408386 473233953 /nfs/dbraw/zinc/23/39/53/473233953.db2.gz ZPOMJCUISINQFQ-UWVGGRQHSA-N 1 0 332.404 2.520 20 70 EFIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)CCCCCC[NH3+])ccc2NC1=O ZINC000161363755 473230039 /nfs/dbraw/zinc/23/00/39/473230039.db2.gz UGYANGMCCIHGND-CZUORRHYSA-N 1 0 347.459 2.883 20 70 EFIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC1 ZINC000161375721 473231245 /nfs/dbraw/zinc/23/12/45/473231245.db2.gz BAMWTKFSGAQLTM-UHFFFAOYSA-N 1 0 346.471 2.772 20 70 EFIDRO CN1CCO[C@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000161393227 473231609 /nfs/dbraw/zinc/23/16/09/473231609.db2.gz NCQSJJJNTXEMNH-MOPGFXCFSA-N 1 0 330.472 2.721 20 70 EFIDRO CN1CCO[C@@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000161393333 473231791 /nfs/dbraw/zinc/23/17/91/473231791.db2.gz NCQSJJJNTXEMNH-RTBURBONSA-N 1 0 330.472 2.721 20 70 EFIDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161398230 473232550 /nfs/dbraw/zinc/23/25/50/473232550.db2.gz ULSFFBQKYXMDPD-MRXNPFEDSA-N 1 0 325.497 2.804 20 70 EFIDRO Cc1cc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000161420448 473234336 /nfs/dbraw/zinc/23/43/36/473234336.db2.gz KLDJXJPXHOXUBD-UHFFFAOYSA-N 1 0 344.846 2.787 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(OCC(F)F)c2)CC1 ZINC000161467339 473236914 /nfs/dbraw/zinc/23/69/14/473236914.db2.gz DSJCIFIPYDPLKW-UHFFFAOYSA-N 1 0 326.387 2.867 20 70 EFIDRO CC(C)[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 ZINC000161472410 473237832 /nfs/dbraw/zinc/23/78/32/473237832.db2.gz GRLPIGKBLIRHLO-INIZCTEOSA-N 1 0 347.440 2.840 20 70 EFIDRO CC(=O)N(C)c1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000161479416 473238930 /nfs/dbraw/zinc/23/89/30/473238930.db2.gz GQDQPZMLPSNYOG-UHFFFAOYSA-N 1 0 325.412 2.983 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000161479916 473239004 /nfs/dbraw/zinc/23/90/04/473239004.db2.gz CINNYNZUBAHFKW-UONOGXRCSA-N 1 0 336.863 2.774 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)[C@H](C)C3(C)CC3)nc(N)c21 ZINC000161495152 473239728 /nfs/dbraw/zinc/23/97/28/473239728.db2.gz BWRQVPGZBSCMBZ-LLVKDONJSA-N 1 0 346.431 2.911 20 70 EFIDRO COc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1Cn1cccn1 ZINC000161506434 473240522 /nfs/dbraw/zinc/24/05/22/473240522.db2.gz NEVAGKRTQMYCOD-OAHLLOKOSA-N 1 0 328.460 2.685 20 70 EFIDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NO[C@@H]1CCCCO1 ZINC000161508701 473240920 /nfs/dbraw/zinc/24/09/20/473240920.db2.gz LIQDBCSXPWMBRF-GOSISDBHSA-N 1 0 347.459 2.930 20 70 EFIDRO CC(C)c1ncc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)s1 ZINC000159377542 473023502 /nfs/dbraw/zinc/02/35/02/473023502.db2.gz GHZOYBLMLGMIBW-ZDUSSCGKSA-N 1 0 345.534 2.560 20 70 EFIDRO CCOCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159384363 473023521 /nfs/dbraw/zinc/02/35/21/473023521.db2.gz QCSRLZSCTZQZHN-CYBMUJFWSA-N 1 0 325.840 2.812 20 70 EFIDRO CCNc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000159372336 473023583 /nfs/dbraw/zinc/02/35/83/473023583.db2.gz FTDFQDJFGOCFJJ-DZGCQCFKSA-N 1 0 344.484 2.825 20 70 EFIDRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159401986 473025629 /nfs/dbraw/zinc/02/56/29/473025629.db2.gz CGJMPHPNZYPOQL-ZWKOTPCHSA-N 1 0 333.451 2.691 20 70 EFIDRO C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CC[C@@H]1O ZINC000159460010 473029549 /nfs/dbraw/zinc/02/95/49/473029549.db2.gz LLIXAVJCLXBKRW-YGRLFVJLSA-N 1 0 326.234 2.587 20 70 EFIDRO C[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCC[C@@H]1O ZINC000159457868 473030359 /nfs/dbraw/zinc/03/03/59/473030359.db2.gz DTUIOMALOSIVMP-DOMZBBRYSA-N 1 0 328.250 2.921 20 70 EFIDRO C[C@@H](CC(=O)Nc1cnn(-c2ccccc2F)c1)[C@H]1CCC[NH2+]C1 ZINC000159483458 473031203 /nfs/dbraw/zinc/03/12/03/473031203.db2.gz GDFWTLOCUAKVAI-KBPBESRZSA-N 1 0 330.407 2.976 20 70 EFIDRO C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CCC[C@@H]1O ZINC000159521205 473035816 /nfs/dbraw/zinc/03/58/16/473035816.db2.gz NPJUWXFEIGJJMK-ROUUACIJSA-N 1 0 332.488 2.907 20 70 EFIDRO CC1CC[NH+](C[C@H](O)CNC(=O)/C=C/c2cc3ccccc3o2)CC1 ZINC000159584444 473041585 /nfs/dbraw/zinc/04/15/85/473041585.db2.gz PKCZQZZYLNFACR-DKRLNXSXSA-N 1 0 342.439 2.655 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)c(F)c1)C1CC1 ZINC000159577583 473042070 /nfs/dbraw/zinc/04/20/70/473042070.db2.gz OEDPXJSJOJPJPG-CQSZACIVSA-N 1 0 343.240 2.587 20 70 EFIDRO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159598293 473042899 /nfs/dbraw/zinc/04/28/99/473042899.db2.gz YFTDZLYHETWCSI-OALUTQOASA-N 1 0 332.488 2.826 20 70 EFIDRO COC[C@H](NC(=O)c1ccc(C[NH3+])o1)c1cccc(C(F)(F)F)c1 ZINC000159618029 473044579 /nfs/dbraw/zinc/04/45/79/473044579.db2.gz WZUZXUDDNZUMDC-ZDUSSCGKSA-N 1 0 342.317 2.875 20 70 EFIDRO COC[C@@H](NC(=O)C[NH2+]CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000159618407 473044770 /nfs/dbraw/zinc/04/47/70/473044770.db2.gz SHOPRLAFJQHGDJ-CQSZACIVSA-N 1 0 330.350 2.509 20 70 EFIDRO COC[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000159619127 473045508 /nfs/dbraw/zinc/04/55/08/473045508.db2.gz VFKJPECAWSBRHA-ZIAGYGMSSA-N 1 0 330.350 2.651 20 70 EFIDRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159638436 473047674 /nfs/dbraw/zinc/04/76/74/473047674.db2.gz QSOJMTMFSMGIFB-IFIJOSMWSA-N 1 0 340.414 2.577 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(-n2cccn2)cc1 ZINC000159650464 473048178 /nfs/dbraw/zinc/04/81/78/473048178.db2.gz YWPWFXJYCZBBKK-UHFFFAOYSA-N 1 0 326.444 2.915 20 70 EFIDRO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159653232 473048333 /nfs/dbraw/zinc/04/83/33/473048333.db2.gz KBPKGXXWGLPOMP-WMZOPIPTSA-N 1 0 343.471 2.656 20 70 EFIDRO C[C@H]1CC(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000159649191 473049025 /nfs/dbraw/zinc/04/90/25/473049025.db2.gz FRMUYTSCTJHDJQ-KBPBESRZSA-N 1 0 337.439 2.513 20 70 EFIDRO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159680408 473050663 /nfs/dbraw/zinc/05/06/63/473050663.db2.gz BGYYWOKSWUCMIS-ZETOZRRWSA-N 1 0 328.815 2.899 20 70 EFIDRO COc1ccc2c(c1)OC[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)C2 ZINC000159705670 473052384 /nfs/dbraw/zinc/05/23/84/473052384.db2.gz DJOTVEKLKFYICM-INIZCTEOSA-N 1 0 346.471 2.675 20 70 EFIDRO [NH3+][C@@H](CCC(=O)Nc1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000159691743 473052651 /nfs/dbraw/zinc/05/26/51/473052651.db2.gz JYYCYFWTAHCHGF-ZDUSSCGKSA-N 1 0 326.322 2.864 20 70 EFIDRO CCOCCC1(CNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000159754759 473057417 /nfs/dbraw/zinc/05/74/17/473057417.db2.gz BLBNLEKDUSQJCA-YESZJQIVSA-N 1 0 339.524 2.859 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000159760176 473057803 /nfs/dbraw/zinc/05/78/03/473057803.db2.gz CXYFAVUCYDZPRE-INIZCTEOSA-N 1 0 325.497 2.850 20 70 EFIDRO CCCC[N@H+](C)CCNC(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000159812024 473063027 /nfs/dbraw/zinc/06/30/27/473063027.db2.gz QYUXDBVGWLBTOS-INIZCTEOSA-N 1 0 333.476 2.926 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)CCCc1nc(C2CC2)no1)C1CCCCC1 ZINC000159829523 473065073 /nfs/dbraw/zinc/06/50/73/473065073.db2.gz QCGZAGOCYHJNTQ-INIZCTEOSA-N 1 0 348.491 2.896 20 70 EFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCC(C)CC1 ZINC000159847164 473066398 /nfs/dbraw/zinc/06/63/98/473066398.db2.gz KDSWYKSKKFULRK-JKSUJKDBSA-N 1 0 341.459 2.565 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000159898031 473069845 /nfs/dbraw/zinc/06/98/45/473069845.db2.gz LLVSICQDFVPAIO-QRQLOZEOSA-N 1 0 345.487 2.860 20 70 EFIDRO O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000159891451 473070532 /nfs/dbraw/zinc/07/05/32/473070532.db2.gz NSZBGILSCJLUSY-LSDHHAIUSA-N 1 0 338.398 2.994 20 70 EFIDRO C[NH+]1CCC(CNC(=O)CCCOc2ccc3c(c2)CCC3)CC1 ZINC000159902321 473071103 /nfs/dbraw/zinc/07/11/03/473071103.db2.gz LFVOARXEYJUGRB-UHFFFAOYSA-N 1 0 330.472 2.792 20 70 EFIDRO C[NH+]1CCC(CNC(=O)CSc2nccc3ccccc32)CC1 ZINC000159908626 473071778 /nfs/dbraw/zinc/07/17/78/473071778.db2.gz BSBUYLKQOVGVPG-UHFFFAOYSA-N 1 0 329.469 2.785 20 70 EFIDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000159930557 473072669 /nfs/dbraw/zinc/07/26/69/473072669.db2.gz ZVOUTTWBWWCGHF-DZGCQCFKSA-N 1 0 340.489 2.545 20 70 EFIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000159938460 473074828 /nfs/dbraw/zinc/07/48/28/473074828.db2.gz OPBGOXSKMOKWBF-OAHLLOKOSA-N 1 0 348.491 2.898 20 70 EFIDRO Cn1cnnc1-c1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000159995165 473079135 /nfs/dbraw/zinc/07/91/35/473079135.db2.gz CKKPGWHZPAMJQU-UHFFFAOYSA-N 1 0 335.411 2.796 20 70 EFIDRO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@@H]1CCC[NH2+]C1 ZINC000159999146 473079857 /nfs/dbraw/zinc/07/98/57/473079857.db2.gz QCNPKRMNQKTETI-LLVKDONJSA-N 1 0 338.333 2.829 20 70 EFIDRO CN(C[C@H]1CCC[N@H+](CCOCC2CC2)C1)C(=O)OC(C)(C)C ZINC000160022310 473081659 /nfs/dbraw/zinc/08/16/59/473081659.db2.gz NSKIFQFWBVLUEB-MRXNPFEDSA-N 1 0 326.481 2.992 20 70 EFIDRO CC(=O)NCCC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000160043904 473082755 /nfs/dbraw/zinc/08/27/55/473082755.db2.gz VJQNTPOHRUXAMT-UHFFFAOYSA-N 1 0 340.467 2.987 20 70 EFIDRO CC(C)[NH2+]CCC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160051268 473083052 /nfs/dbraw/zinc/08/30/52/473083052.db2.gz JAJZLXUTRMHWOY-UHFFFAOYSA-N 1 0 339.277 2.985 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)N3CC[NH+](C(C)C)CC3)c2c1 ZINC000160052803 473084414 /nfs/dbraw/zinc/08/44/14/473084414.db2.gz GYJTWUFNPXZXBU-UHFFFAOYSA-N 1 0 327.428 2.718 20 70 EFIDRO CC[NH+](CC)[C@H](C)CNC(=O)CSc1ccc(C(C)=O)c(F)c1 ZINC000160069913 473084840 /nfs/dbraw/zinc/08/48/40/473084840.db2.gz MYVCRZWYNHNQGY-GFCCVEGCSA-N 1 0 340.464 2.967 20 70 EFIDRO C[NH+](C)CCN(C(=O)c1cc2c([nH]c1=O)CCCCC2)C1CCCC1 ZINC000160057954 473084865 /nfs/dbraw/zinc/08/48/65/473084865.db2.gz RBLQAHHBKGVIPY-UHFFFAOYSA-N 1 0 345.487 2.590 20 70 EFIDRO CC(C)[C@@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000160108506 473088230 /nfs/dbraw/zinc/08/82/30/473088230.db2.gz QKDZGMHCNFIODS-YESZJQIVSA-N 1 0 325.497 2.562 20 70 EFIDRO O=S(=O)(Cc1cccc(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160106455 473088366 /nfs/dbraw/zinc/08/83/66/473088366.db2.gz YMCWKWZWWJEUQX-QGZVFWFLSA-N 1 0 340.464 2.606 20 70 EFIDRO Cc1ccccc1CS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160168772 473092232 /nfs/dbraw/zinc/09/22/32/473092232.db2.gz UFXFAWWGPJHUED-GOSISDBHSA-N 1 0 336.501 2.775 20 70 EFIDRO Cc1ccccc1CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160168639 473092741 /nfs/dbraw/zinc/09/27/41/473092741.db2.gz UFXFAWWGPJHUED-SFHVURJKSA-N 1 0 336.501 2.775 20 70 EFIDRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)N1CCc2sccc2C1 ZINC000160162983 473093072 /nfs/dbraw/zinc/09/30/72/473093072.db2.gz OYPLJIRXUULQBD-IMJJTQAJSA-N 1 0 336.501 2.816 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)c1ccsc1 ZINC000160210350 473097105 /nfs/dbraw/zinc/09/71/05/473097105.db2.gz BBDCAORLVYIRFJ-OFQRWUPVSA-N 1 0 339.505 2.950 20 70 EFIDRO O=C(CCc1cc(Br)cs1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160224143 473097549 /nfs/dbraw/zinc/09/75/49/473097549.db2.gz WRXSWGSONWZRMX-TXEJJXNPSA-N 1 0 343.290 2.796 20 70 EFIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160227580 473098584 /nfs/dbraw/zinc/09/85/84/473098584.db2.gz FBXXGEMUJYRKFH-WMZOPIPTSA-N 1 0 345.443 2.556 20 70 EFIDRO Cc1ccc(-c2nc(NC(=O)c3ccc(C[NH+](C)C)cc3)n[nH]2)o1 ZINC000160264093 473102482 /nfs/dbraw/zinc/10/24/82/473102482.db2.gz NIWOAOAPCNSDMJ-UHFFFAOYSA-N 1 0 325.372 2.687 20 70 EFIDRO C[C@H](NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1cnccn1 ZINC000160315614 473106404 /nfs/dbraw/zinc/10/64/04/473106404.db2.gz HBBGLPGNQZZYIF-ULQDDVLXSA-N 1 0 340.471 2.937 20 70 EFIDRO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160316223 473107082 /nfs/dbraw/zinc/10/70/82/473107082.db2.gz RBSCZWNQUYQYOP-SJORKVTESA-N 1 0 337.508 2.707 20 70 EFIDRO C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000160330419 473109644 /nfs/dbraw/zinc/10/96/44/473109644.db2.gz UNRQVAVBQIMKBA-ICSRJNTNSA-N 1 0 341.499 2.839 20 70 EFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160340750 473110284 /nfs/dbraw/zinc/11/02/84/473110284.db2.gz LUSKNCZXOLAUQW-ROUUACIJSA-N 1 0 339.524 2.953 20 70 EFIDRO COc1ccc([C@H](C[NH2+][C@@H](C)C2(C)CC2)N2CCOCC2)cc1OC ZINC000160360795 473112408 /nfs/dbraw/zinc/11/24/08/473112408.db2.gz RUUZDSXZJALKMX-RDJZCZTQSA-N 1 0 348.487 2.855 20 70 EFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160369155 473112987 /nfs/dbraw/zinc/11/29/87/473112987.db2.gz BGFVUTIGEGZAKJ-LBPRGKRZSA-N 1 0 345.365 2.627 20 70 EFIDRO COc1ccc(C(F)(F)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000160382459 473114682 /nfs/dbraw/zinc/11/46/82/473114682.db2.gz PNJUBGQVJMZMGJ-CJNGLKHVSA-N 1 0 338.398 2.730 20 70 EFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160384734 473116118 /nfs/dbraw/zinc/11/61/18/473116118.db2.gz NEMZDOCAKNVRBB-MJGOQNOKSA-N 1 0 326.415 2.787 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2[nH]ccc2c1 ZINC000160393271 473117126 /nfs/dbraw/zinc/11/71/26/473117126.db2.gz WZKUGPZCVAPAJR-MOPGFXCFSA-N 1 0 341.455 2.666 20 70 EFIDRO CCCC[C@@H](COC)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160406140 473118867 /nfs/dbraw/zinc/11/88/67/473118867.db2.gz HNGKVWVWRXNMDM-IRXDYDNUSA-N 1 0 325.497 2.852 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc2c1CCC2 ZINC000160416278 473120070 /nfs/dbraw/zinc/12/00/70/473120070.db2.gz SYJODFHICIFJOT-PMACEKPBSA-N 1 0 342.483 2.673 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc2c1CCC2 ZINC000160416497 473120699 /nfs/dbraw/zinc/12/06/99/473120699.db2.gz SYJODFHICIFJOT-VQTJNVASSA-N 1 0 342.483 2.673 20 70 EFIDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000160421636 473120906 /nfs/dbraw/zinc/12/09/06/473120906.db2.gz MKVKIKMAQKJYGP-UHFFFAOYSA-N 1 0 343.393 2.694 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000160429972 473123042 /nfs/dbraw/zinc/12/30/42/473123042.db2.gz IFKHHIPTSJNBAH-CQSZACIVSA-N 1 0 347.484 2.581 20 70 EFIDRO CCOC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160431638 473124285 /nfs/dbraw/zinc/12/42/85/473124285.db2.gz MNZDNQASJWXGRY-YIONKMFJSA-N 1 0 340.464 2.802 20 70 EFIDRO Cc1noc2nc(C)cc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)c12 ZINC000160455148 473127399 /nfs/dbraw/zinc/12/73/99/473127399.db2.gz BLKJRGUKVBLIDA-CQSZACIVSA-N 1 0 330.432 2.690 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1CCC(c2ccccc2)CC1 ZINC000160459132 473128421 /nfs/dbraw/zinc/12/84/21/473128421.db2.gz FDLPELHHBDZPCO-SOAGJPPSSA-N 1 0 344.499 2.923 20 70 EFIDRO CCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@H]([NH2+]C)C2)cc1OC ZINC000160475584 473129600 /nfs/dbraw/zinc/12/96/00/473129600.db2.gz BQRWVFAIPIESMA-GFUIURDCSA-N 1 0 338.835 2.581 20 70 EFIDRO C[C@H]1C[NH+](C[C@@H]2CCCN2c2cnc3ccccc3n2)C[C@H](C)O1 ZINC000160475750 473129935 /nfs/dbraw/zinc/12/99/35/473129935.db2.gz YZPFMFVYWHZGRL-JYJNAYRXSA-N 1 0 326.444 2.708 20 70 EFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc(Cl)nc1 ZINC000160475092 473130396 /nfs/dbraw/zinc/13/03/96/473130396.db2.gz SPVBKVPLCVQXPL-HNNXBMFYSA-N 1 0 338.883 2.841 20 70 EFIDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CCO1 ZINC000160485109 473131470 /nfs/dbraw/zinc/13/14/70/473131470.db2.gz ZGXZROCUZSIYTP-QGZVFWFLSA-N 1 0 346.471 2.639 20 70 EFIDRO Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2cccs2)n1 ZINC000160486798 473132320 /nfs/dbraw/zinc/13/23/20/473132320.db2.gz HUCVWFWDVCRMFA-ZFWWWQNUSA-N 1 0 344.484 2.705 20 70 EFIDRO CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000160493686 473132460 /nfs/dbraw/zinc/13/24/60/473132460.db2.gz RPJWNZZJDLCQQN-VQIMIIECSA-N 1 0 347.478 2.985 20 70 EFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)C(C)(C)O1 ZINC000160493394 473132533 /nfs/dbraw/zinc/13/25/33/473132533.db2.gz IYGUDGBTJOBVBJ-GOSISDBHSA-N 1 0 332.488 2.955 20 70 EFIDRO CC(C)Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C1CC1 ZINC000160487399 473132937 /nfs/dbraw/zinc/13/29/37/473132937.db2.gz GNMVROQPFZIKDO-FUHWJXTLSA-N 1 0 344.503 2.973 20 70 EFIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000160504925 473133474 /nfs/dbraw/zinc/13/34/74/473133474.db2.gz DWEASMOWTXHDJT-IYBDPMFKSA-N 1 0 349.475 2.832 20 70 EFIDRO CCOC[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000160497642 473133890 /nfs/dbraw/zinc/13/38/90/473133890.db2.gz KDNWIBKKFSNJOI-BLLLJJGKSA-N 1 0 340.826 2.943 20 70 EFIDRO CCOC[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000160497501 473134117 /nfs/dbraw/zinc/13/41/17/473134117.db2.gz KDNWIBKKFSNJOI-MLGOLLRUSA-N 1 0 340.826 2.943 20 70 EFIDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000160507806 473135450 /nfs/dbraw/zinc/13/54/50/473135450.db2.gz HJQGIOIYMBGEPW-UHFFFAOYSA-N 1 0 343.471 2.572 20 70 EFIDRO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](CC)C[C@H](C)CC)CC1 ZINC000160513089 473135914 /nfs/dbraw/zinc/13/59/14/473135914.db2.gz AWUIDOPYCPJEBJ-CABCVRRESA-N 1 0 326.481 2.545 20 70 EFIDRO COC(C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)OC ZINC000160527270 473137944 /nfs/dbraw/zinc/13/79/44/473137944.db2.gz YFNKRSZEJJSKPU-UHFFFAOYSA-N 1 0 346.393 2.832 20 70 EFIDRO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000160532907 473138231 /nfs/dbraw/zinc/13/82/31/473138231.db2.gz BXHHNWUCEJMFTF-FXAWDEMLSA-N 1 0 334.479 2.973 20 70 EFIDRO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000160535736 473139215 /nfs/dbraw/zinc/13/92/15/473139215.db2.gz QGKROQHJCQGLJP-OIISXLGYSA-N 1 0 337.460 2.922 20 70 EFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000160537443 473139398 /nfs/dbraw/zinc/13/93/98/473139398.db2.gz PZQUNRHLKCERKY-UHFFFAOYSA-N 1 0 344.459 2.813 20 70 EFIDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cnc2ccccn12 ZINC000160550949 473140563 /nfs/dbraw/zinc/14/05/63/473140563.db2.gz RAIZBCZDYGRBLO-UHFFFAOYSA-N 1 0 349.482 2.588 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)CC(C)C)nc(N)c21 ZINC000160549705 473140738 /nfs/dbraw/zinc/14/07/38/473140738.db2.gz PWBVCTBILRTRDF-UHFFFAOYSA-N 1 0 334.420 2.768 20 70 EFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(OC(F)F)c1 ZINC000160560768 473141569 /nfs/dbraw/zinc/14/15/69/473141569.db2.gz QYRGILJDOKUVRD-MRVPVSSYSA-N 1 0 326.265 2.617 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)c1 ZINC000160556769 473141598 /nfs/dbraw/zinc/14/15/98/473141598.db2.gz OMVFJKDDSSGICW-GOSISDBHSA-N 1 0 326.444 2.723 20 70 EFIDRO CCCN(CC[NH+](CC)CC)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000160553242 473142499 /nfs/dbraw/zinc/14/24/99/473142499.db2.gz SYTRPLVDPNSDJH-UHFFFAOYSA-N 1 0 332.370 2.689 20 70 EFIDRO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160578894 473145306 /nfs/dbraw/zinc/14/53/06/473145306.db2.gz HSTYTZFIYQVZDC-VQTJNVASSA-N 1 0 344.499 2.734 20 70 EFIDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)O ZINC000160588677 473147339 /nfs/dbraw/zinc/14/73/39/473147339.db2.gz STYMCNJDYBOTNN-JTQLQIEISA-N 1 0 329.238 2.527 20 70 EFIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160593516 473147987 /nfs/dbraw/zinc/14/79/87/473147987.db2.gz FBYODZDWMXDNSS-HNNXBMFYSA-N 1 0 341.459 2.856 20 70 EFIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000160596130 473148409 /nfs/dbraw/zinc/14/84/09/473148409.db2.gz MIYPLVHLSVIORK-OAHLLOKOSA-N 1 0 341.459 2.714 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000160601430 473149276 /nfs/dbraw/zinc/14/92/76/473149276.db2.gz VTHVMHRNGMNCNC-GFCCVEGCSA-N 1 0 328.254 2.627 20 70 EFIDRO COc1ccc(OCCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160604487 473149325 /nfs/dbraw/zinc/14/93/25/473149325.db2.gz LNXRHGYJZPGDGD-MRXNPFEDSA-N 1 0 334.460 2.701 20 70 EFIDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CCCO2 ZINC000160604134 473149456 /nfs/dbraw/zinc/14/94/56/473149456.db2.gz RDPAHWZHWUFBQU-ZDUSSCGKSA-N 1 0 330.350 2.785 20 70 EFIDRO COc1ccc([C@@H]([NH2+]CCCS(=O)(=O)C(C)C)C2CC2)cc1 ZINC000160607508 473150734 /nfs/dbraw/zinc/15/07/34/473150734.db2.gz UVYKBEQBJZELIJ-KRWDZBQOSA-N 1 0 325.474 2.949 20 70 EFIDRO CCc1cc(=O)[nH]c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 ZINC000160607233 473151071 /nfs/dbraw/zinc/15/10/71/473151071.db2.gz AACGXXCUFCNPBW-CQSZACIVSA-N 1 0 340.427 2.595 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)C1 ZINC000160616402 473152095 /nfs/dbraw/zinc/15/20/95/473152095.db2.gz DAHPKKVLRKQSMF-GFCCVEGCSA-N 1 0 328.416 2.658 20 70 EFIDRO O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CCCC[C@@H]1O)CC2 ZINC000160617219 473152810 /nfs/dbraw/zinc/15/28/10/473152810.db2.gz SIJKLBCSQOUODN-ZBRDMFFESA-N 1 0 328.456 2.960 20 70 EFIDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1cncc(F)c1 ZINC000160619033 473152870 /nfs/dbraw/zinc/15/28/70/473152870.db2.gz PWNJJCJTRHXFJU-HNNXBMFYSA-N 1 0 329.419 2.904 20 70 EFIDRO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160635263 473155549 /nfs/dbraw/zinc/15/55/49/473155549.db2.gz XLPHFWFDFIDXIB-RTXFEEFZSA-N 1 0 326.799 2.599 20 70 EFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000160655511 473156280 /nfs/dbraw/zinc/15/62/80/473156280.db2.gz HFAZJRRASSSTEJ-UHFFFAOYSA-N 1 0 346.402 2.520 20 70 EFIDRO Nc1nc(-n2cccn2)cc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)[nH+]1 ZINC000160660114 473158065 /nfs/dbraw/zinc/15/80/65/473158065.db2.gz JQODSGHNDSMRMD-HUUCEWRRSA-N 1 0 336.399 2.577 20 70 EFIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160670772 473159583 /nfs/dbraw/zinc/15/95/83/473159583.db2.gz AZLWIYDPSPUCBO-NEPJUHHUSA-N 1 0 345.369 2.536 20 70 EFIDRO CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000160684733 473160464 /nfs/dbraw/zinc/16/04/64/473160464.db2.gz DESNVIAAINNXTL-OALUTQOASA-N 1 0 345.487 2.890 20 70 EFIDRO Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000160685965 473160690 /nfs/dbraw/zinc/16/06/90/473160690.db2.gz YEWMUTJWTKDOEE-HOCLYGCPSA-N 1 0 348.516 2.955 20 70 EFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000160692017 473161765 /nfs/dbraw/zinc/16/17/65/473161765.db2.gz NRRLMHBFEZKWNY-LJQANCHMSA-N 1 0 344.499 2.863 20 70 EFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000160700672 473163071 /nfs/dbraw/zinc/16/30/71/473163071.db2.gz AHSNNWAGMHBGRI-CQSZACIVSA-N 1 0 344.377 2.771 20 70 EFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000160734070 473167987 /nfs/dbraw/zinc/16/79/87/473167987.db2.gz HJNLBZJOVFUYPE-CYBMUJFWSA-N 1 0 339.461 2.921 20 70 EFIDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1 ZINC000160742741 473169258 /nfs/dbraw/zinc/16/92/58/473169258.db2.gz HGCRVAVXRRZUPV-QGZVFWFLSA-N 1 0 336.432 2.975 20 70 EFIDRO CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2ccc(F)cc2)CC1 ZINC000160746688 473169496 /nfs/dbraw/zinc/16/94/96/473169496.db2.gz FEOXLYFRVCNDGL-SFHVURJKSA-N 1 0 335.467 2.857 20 70 EFIDRO CCS[C@H]1CCCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160747506 473169636 /nfs/dbraw/zinc/16/96/36/473169636.db2.gz WYBNLPTWSYXLOE-CVEARBPZSA-N 1 0 325.522 2.788 20 70 EFIDRO CC[C@H]1CN(C(=O)c2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000160742294 473169868 /nfs/dbraw/zinc/16/98/68/473169868.db2.gz KJKRWQPDFSZMMW-GXFFZTMASA-N 1 0 341.249 2.657 20 70 EFIDRO CN(C)c1ccc(-c2cncc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000160756682 473170510 /nfs/dbraw/zinc/17/05/10/473170510.db2.gz INSCDYWNKFQFHQ-MSOLQXFVSA-N 1 0 338.455 2.814 20 70 EFIDRO COc1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1O ZINC000160786608 473174586 /nfs/dbraw/zinc/17/45/86/473174586.db2.gz MQLOMAJKGZQNKU-HNNXBMFYSA-N 1 0 347.459 2.559 20 70 EFIDRO CCCNC(=O)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000160791719 473174787 /nfs/dbraw/zinc/17/47/87/473174787.db2.gz OTSTUYZVUBSZAC-UHFFFAOYSA-N 1 0 333.476 2.563 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000160800315 473176337 /nfs/dbraw/zinc/17/63/37/473176337.db2.gz MCKOSLKOWOQFDX-UHFFFAOYSA-N 1 0 331.504 2.942 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000160814383 473178476 /nfs/dbraw/zinc/17/84/76/473178476.db2.gz RPKZYMLWKYVDTO-CHWSQXEVSA-N 1 0 330.350 2.904 20 70 EFIDRO Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2F)n1 ZINC000160828819 473180009 /nfs/dbraw/zinc/18/00/09/473180009.db2.gz WYGJSHRNKDVXBT-CABCVRRESA-N 1 0 330.407 2.628 20 70 EFIDRO CC[C@H](O)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000160831704 473181194 /nfs/dbraw/zinc/18/11/94/473181194.db2.gz ZCJXNTSGXMRRTJ-SFHVURJKSA-N 1 0 333.476 2.633 20 70 EFIDRO COC(=O)c1csc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000160856078 473183225 /nfs/dbraw/zinc/18/32/25/473183225.db2.gz NPFWHYWZFRAKCB-UHFFFAOYSA-N 1 0 339.461 2.922 20 70 EFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000160852381 473183620 /nfs/dbraw/zinc/18/36/20/473183620.db2.gz ZYBAOJDYPPIOBP-GAJHUEQPSA-N 1 0 330.453 2.916 20 70 EFIDRO Cc1ccc(-n2nc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c3c2CCC3)cc1 ZINC000160867985 473186071 /nfs/dbraw/zinc/18/60/71/473186071.db2.gz FFEQCNHJJBQJCL-LSDHHAIUSA-N 1 0 338.455 2.669 20 70 EFIDRO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000160882720 473186476 /nfs/dbraw/zinc/18/64/76/473186476.db2.gz VXBYEZDZXBRSNP-RBUKOAKNSA-N 1 0 343.471 2.644 20 70 EFIDRO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000160882345 473186586 /nfs/dbraw/zinc/18/65/86/473186586.db2.gz VXBYEZDZXBRSNP-MOPGFXCFSA-N 1 0 343.471 2.644 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCO1 ZINC000160885228 473186621 /nfs/dbraw/zinc/18/66/21/473186621.db2.gz QSIXAZGAOCLRRM-IAGOWNOFSA-N 1 0 349.475 2.935 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccccc2Br)C1 ZINC000160889241 473186780 /nfs/dbraw/zinc/18/67/80/473186780.db2.gz QFFTWJXXBJBXEV-QWHCGFSZSA-N 1 0 325.250 2.768 20 70 EFIDRO COCCC1(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCC1 ZINC000160899449 473188516 /nfs/dbraw/zinc/18/85/16/473188516.db2.gz LBVNITAMWCYCED-HNNXBMFYSA-N 1 0 327.513 2.859 20 70 EFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(N(C)C)cc1F ZINC000160903537 473189366 /nfs/dbraw/zinc/18/93/66/473189366.db2.gz AEWZAKFBHWOBQC-QLFBSQMISA-N 1 0 335.467 2.988 20 70 EFIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000160921228 473191517 /nfs/dbraw/zinc/19/15/17/473191517.db2.gz GIDVETCQNTVDKC-CYBMUJFWSA-N 1 0 329.213 2.690 20 70 EFIDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCSC3)cc2)C[C@@H](C)O1 ZINC000160927809 473191820 /nfs/dbraw/zinc/19/18/20/473191820.db2.gz BTCAYLZQJVEXNV-CKEIUWERSA-N 1 0 334.485 2.531 20 70 EFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2c(C)noc2Cl)c1 ZINC000160924228 473191896 /nfs/dbraw/zinc/19/18/96/473191896.db2.gz DPJZQONLJSVXTN-UHFFFAOYSA-N 1 0 335.835 2.947 20 70 EFIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000160939012 473192602 /nfs/dbraw/zinc/19/26/02/473192602.db2.gz SHIFSCKMDJHAKX-HNNXBMFYSA-N 1 0 338.473 2.572 20 70 EFIDRO [NH3+]C1(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CCCCC1 ZINC000160938215 473192727 /nfs/dbraw/zinc/19/27/27/473192727.db2.gz RYIADQYYBNDQOO-UHFFFAOYSA-N 1 0 334.807 2.668 20 70 EFIDRO CC(C)S(=O)(=O)CCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160955877 473194613 /nfs/dbraw/zinc/19/46/13/473194613.db2.gz UTKPXRGASSMVOM-UHFFFAOYSA-N 1 0 344.565 2.788 20 70 EFIDRO COC(=O)c1csc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000160956817 473194658 /nfs/dbraw/zinc/19/46/58/473194658.db2.gz JRFYZIZENIDREK-UHFFFAOYSA-N 1 0 325.434 2.531 20 70 EFIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)C1 ZINC000160962955 473194883 /nfs/dbraw/zinc/19/48/83/473194883.db2.gz FBMFVOYDDGFLPF-LBPRGKRZSA-N 1 0 339.461 2.730 20 70 EFIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)c1ccc(F)cc1F ZINC000160995380 473197346 /nfs/dbraw/zinc/19/73/46/473197346.db2.gz MZFYLIBKUHIBBF-HZMBPMFUSA-N 1 0 327.375 2.628 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000160997074 473197694 /nfs/dbraw/zinc/19/76/94/473197694.db2.gz ONMNLKAIAQHFCM-GJZGRUSLSA-N 1 0 347.459 2.802 20 70 EFIDRO COc1cccc([C@@H](CNC(=O)c2cccc(F)n2)[NH+]2CCCC2)c1 ZINC000161008399 473199347 /nfs/dbraw/zinc/19/93/47/473199347.db2.gz VKPZPFYBWHVLIL-QGZVFWFLSA-N 1 0 343.402 2.796 20 70 EFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)NOCc2cccnc2)cc1 ZINC000161028292 473200466 /nfs/dbraw/zinc/20/04/66/473200466.db2.gz KCDCZKHAPJRZMR-UHFFFAOYSA-N 1 0 342.443 2.854 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)CC1 ZINC000161031440 473200712 /nfs/dbraw/zinc/20/07/12/473200712.db2.gz KLPPCNFATGVNDQ-CQSZACIVSA-N 1 0 334.435 2.883 20 70 EFIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000161072353 473204731 /nfs/dbraw/zinc/20/47/31/473204731.db2.gz SZNMSIZIXVLYJG-GFCCVEGCSA-N 1 0 326.872 2.659 20 70 EFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Br)ccc1O ZINC000217405202 474141839 /nfs/dbraw/zinc/14/18/39/474141839.db2.gz IGDSVVAANUXWDH-SNVBAGLBSA-N 1 0 329.238 2.615 20 70 EFIDRO CCc1ccc([C@H](CNC(=O)NC[C@H](O)C(CC)CC)[NH+](C)C)cc1 ZINC000217148355 474142569 /nfs/dbraw/zinc/14/25/69/474142569.db2.gz HJIDLRSKFQEJGX-OALUTQOASA-N 1 0 349.519 2.948 20 70 EFIDRO COc1ccc(O)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000218177315 474145450 /nfs/dbraw/zinc/14/54/50/474145450.db2.gz CWKWWGLLXKEURK-GOSISDBHSA-N 1 0 340.423 2.968 20 70 EFIDRO CS[C@@H](C)CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160217184 533892142 /nfs/dbraw/zinc/89/21/42/533892142.db2.gz LGNYJFVHXYIWMO-KRWDZBQOSA-N 1 0 349.544 2.847 20 70 EFIDRO C[C@H](CCO)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000159834460 533975246 /nfs/dbraw/zinc/97/52/46/533975246.db2.gz MWZITYSNQUFNRZ-MRXNPFEDSA-N 1 0 333.476 2.633 20 70 EFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000160083236 534089265 /nfs/dbraw/zinc/08/92/65/534089265.db2.gz LPVIENOFVFHKRS-ACJLOTCBSA-N 1 0 348.468 2.971 20 70 EFIDRO O=C(CCCOc1ccccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159836484 534372328 /nfs/dbraw/zinc/37/23/28/534372328.db2.gz AJQIZBNMOVWVNL-UHFFFAOYSA-N 1 0 334.435 2.975 20 70 EFIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000160303740 534415189 /nfs/dbraw/zinc/41/51/89/534415189.db2.gz JPKYOVINHZOXKU-UHFFFAOYSA-N 1 0 345.369 2.538 20 70 EFIDRO Cc1ccsc1CCCC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160270603 534459166 /nfs/dbraw/zinc/45/91/66/534459166.db2.gz KIYBUZVWYOSGFQ-IYBDPMFKSA-N 1 0 338.517 2.995 20 70 EFIDRO O=C(Nc1cnn(-c2ccccc2F)c1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000161073118 534462955 /nfs/dbraw/zinc/46/29/55/534462955.db2.gz ZMAFJXATQCTMOU-UHOFOFEASA-N 1 0 328.391 2.871 20 70 EFIDRO CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000160521689 520832522 /nfs/dbraw/zinc/83/25/22/520832522.db2.gz ZIQXXUBXSMBYOL-OAHLLOKOSA-N 1 0 334.460 2.988 20 70 EFIDRO [NH3+]C1(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)CCCCC1 ZINC000159473205 534535563 /nfs/dbraw/zinc/53/55/63/534535563.db2.gz BWTUHVHVJJYCGD-UHFFFAOYSA-N 1 0 334.435 2.652 20 70 EFIDRO [NH3+]C1(CNC(=O)Cc2ccc(OC(F)(F)F)cc2)CCCCC1 ZINC000159753061 534536321 /nfs/dbraw/zinc/53/63/21/534536321.db2.gz SZLMQTHQDSZUHN-UHFFFAOYSA-N 1 0 330.350 2.906 20 70 EFIDRO [NH3+]C1(CNC(=O)c2cccc(Oc3cnccn3)c2)CCCCC1 ZINC000159583820 534548011 /nfs/dbraw/zinc/54/80/11/534548011.db2.gz BNKGMCNNVNMMAN-UHFFFAOYSA-N 1 0 326.400 2.660 20 70 EFIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000159471558 534592866 /nfs/dbraw/zinc/59/28/66/534592866.db2.gz GHBYEIFIRBLLCP-IRXDYDNUSA-N 1 0 344.480 2.917 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C1CC1 ZINC000161159124 522084648 /nfs/dbraw/zinc/08/46/48/522084648.db2.gz MWBGVAWFSXIBKW-QGZVFWFLSA-N 1 0 345.487 2.533 20 70 EFIDRO COC(=O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160592153 523009880 /nfs/dbraw/zinc/00/98/80/523009880.db2.gz NRPVROKSEQJSPE-YIONKMFJSA-N 1 0 340.464 2.802 20 70 EFIDRO C[C@@H]([NH3+])C(=O)NCCc1cccc(OCCCc2ccccc2)c1 ZINC000159479404 524987435 /nfs/dbraw/zinc/98/74/35/524987435.db2.gz YEINNTBSJJJQGZ-MRXNPFEDSA-N 1 0 326.440 2.704 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000161360190 526700667 /nfs/dbraw/zinc/70/06/67/526700667.db2.gz JPJVUGQMJMXMKT-FAEJEUNOSA-N 1 0 333.451 2.689 20 70 EFIDRO CC(C)(C)c1nsc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000160032179 526907483 /nfs/dbraw/zinc/90/74/83/526907483.db2.gz VOVVTCIBHAIBGB-AWEZNQCLSA-N 1 0 338.521 2.917 20 70 EFIDRO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160717040 526940682 /nfs/dbraw/zinc/94/06/82/526940682.db2.gz PNUGILFZNIESOR-QYZOEREBSA-N 1 0 343.471 2.786 20 70 EFIDRO CC(=O)c1ccc(OCCCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159487368 527325070 /nfs/dbraw/zinc/32/50/70/527325070.db2.gz JWYFMBAAUQTCNY-UHFFFAOYSA-N 1 0 332.444 2.826 20 70 EFIDRO CC[N@H+](C)CCNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000160145827 527800291 /nfs/dbraw/zinc/80/02/91/527800291.db2.gz FFEWDWIEVOINIL-UHFFFAOYSA-N 1 0 340.349 2.573 20 70 EFIDRO CCC[N@H+](CC(=O)OCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000160196929 527910211 /nfs/dbraw/zinc/91/02/11/527910211.db2.gz PCFTZAAYJHCNME-UHFFFAOYSA-N 1 0 332.444 2.566 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000160903685 527969351 /nfs/dbraw/zinc/96/93/51/527969351.db2.gz LDBYTWQKZAIFGJ-OALUTQOASA-N 1 0 347.503 2.572 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccnc(OC(C)C)c2)C1 ZINC000160248686 528025157 /nfs/dbraw/zinc/02/51/57/528025157.db2.gz MCFBGOBYKUTPBL-QGZVFWFLSA-N 1 0 348.491 2.646 20 70 EFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000159874418 528032844 /nfs/dbraw/zinc/03/28/44/528032844.db2.gz JQIIZAFNRRRSJQ-HUUCEWRRSA-N 1 0 337.533 2.731 20 70 EFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000159830658 528033904 /nfs/dbraw/zinc/03/39/04/528033904.db2.gz UXVTXAGZFBPCKU-SJORKVTESA-N 1 0 331.504 2.670 20 70 EFIDRO CC[NH+](CC)CCN(Cc1ccccc1)c1cn[nH]c(=O)c1Cl ZINC000161189132 528124815 /nfs/dbraw/zinc/12/48/15/528124815.db2.gz OHOPSIAIZGBLHS-UHFFFAOYSA-N 1 0 334.851 2.772 20 70 EFIDRO CC[NH+](CC)CCNC(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC000160966532 528137429 /nfs/dbraw/zinc/13/74/29/528137429.db2.gz UXCLGRCDSTYOHS-UHFFFAOYSA-N 1 0 328.460 2.869 20 70 EFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@](C)(O)C2)cc1 ZINC000159983719 528189216 /nfs/dbraw/zinc/18/92/16/528189216.db2.gz YUMZKWRZYKIXHG-IBGZPJMESA-N 1 0 333.476 2.585 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@@H](C)[C@@H]2C)c1 ZINC000161121661 528193913 /nfs/dbraw/zinc/19/39/13/528193913.db2.gz MCGFSOOHRRFNAD-HOTGVXAUSA-N 1 0 333.476 2.847 20 70 EFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000159389075 528222127 /nfs/dbraw/zinc/22/21/27/528222127.db2.gz KBHBCKDXMCBKPL-GDBMZVCRSA-N 1 0 340.489 2.547 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccco1 ZINC000159591659 528241213 /nfs/dbraw/zinc/24/12/13/528241213.db2.gz YRYWIHPHGPJZLA-RYRKJORJSA-N 1 0 349.475 2.919 20 70 EFIDRO CC(C)c1nc(C(=O)N2CCC[C@H]2C[NH3+])nn1-c1ccccc1Cl ZINC000160291125 528258992 /nfs/dbraw/zinc/25/89/92/528258992.db2.gz YNCYPQHJJCVFTC-LBPRGKRZSA-N 1 0 347.850 2.607 20 70 EFIDRO CCCOc1c(C[NH+]2CCC(CC(N)=O)CC2)cccc1OCC ZINC000159783353 528612934 /nfs/dbraw/zinc/61/29/34/528612934.db2.gz UPNBTCKTTYCCDY-UHFFFAOYSA-N 1 0 334.460 2.962 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000161227457 528650853 /nfs/dbraw/zinc/65/08/53/528650853.db2.gz MCPVDPFKEDZZRA-LLVKDONJSA-N 1 0 326.412 2.785 20 70 EFIDRO CCC(CC)[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)[NH+](C)C ZINC000160817899 528821485 /nfs/dbraw/zinc/82/14/85/528821485.db2.gz TVSUYMYWNFFBSV-GFCCVEGCSA-N 1 0 349.401 2.933 20 70 EFIDRO CCC[C@@H](C)[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160341569 528899566 /nfs/dbraw/zinc/89/95/66/528899566.db2.gz NMUSGMMHOAARPK-WBVHZDCISA-N 1 0 336.476 2.855 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000160412209 528925815 /nfs/dbraw/zinc/92/58/15/528925815.db2.gz NFLVJKUVKGMPQL-UHFFFAOYSA-N 1 0 343.427 2.886 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3cc(F)ccc23)CC1 ZINC000159784569 529025000 /nfs/dbraw/zinc/02/50/00/529025000.db2.gz VBIJHJTXHFSYPP-UHFFFAOYSA-N 1 0 332.423 2.587 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2c(F)cccc2OC(F)F)CC1 ZINC000159935589 529026962 /nfs/dbraw/zinc/02/69/62/529026962.db2.gz QESOCQFQMBMILM-UHFFFAOYSA-N 1 0 345.365 2.664 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccnc(OC3CCCC3)c2)CC1 ZINC000159607416 529029201 /nfs/dbraw/zinc/02/92/01/529029201.db2.gz FZDWRMRVZZMZIW-UHFFFAOYSA-N 1 0 346.475 2.640 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000159943885 529031615 /nfs/dbraw/zinc/03/16/15/529031615.db2.gz HWRYOFZAAGQEBK-GOSISDBHSA-N 1 0 347.503 3.000 20 70 EFIDRO CCOC(=O)NCCCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000160860183 529076152 /nfs/dbraw/zinc/07/61/52/529076152.db2.gz HVHJZERQHJGHBL-UHFFFAOYSA-N 1 0 347.459 2.790 20 70 EFIDRO CCCCn1ncc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000161099316 529095512 /nfs/dbraw/zinc/09/55/12/529095512.db2.gz LVYAWNMRMNLQRP-SFHVURJKSA-N 1 0 342.487 2.894 20 70 EFIDRO CC[NH+]1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000159808999 529144611 /nfs/dbraw/zinc/14/46/11/529144611.db2.gz KZADGYZPHWRHHM-FQEVSTJZSA-N 1 0 345.531 2.645 20 70 EFIDRO CC[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)Oc1ccccc1C ZINC000159952194 529343044 /nfs/dbraw/zinc/34/30/44/529343044.db2.gz YCHARVGEXDMZBZ-QGZVFWFLSA-N 1 0 333.476 2.890 20 70 EFIDRO CCc1cc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000160881583 529510849 /nfs/dbraw/zinc/51/08/49/529510849.db2.gz WAQZILLQWKICBD-UHFFFAOYSA-N 1 0 342.443 2.723 20 70 EFIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160430053 295771001 /nfs/dbraw/zinc/77/10/01/295771001.db2.gz CYRKUFSCSVKHLK-KURKYZTESA-N 1 0 335.492 2.604 20 70 EFIDRO C[C@@]1(O)CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000159763754 239036385 /nfs/dbraw/zinc/03/63/85/239036385.db2.gz YEYXMHLBYTVIDC-GOSISDBHSA-N 1 0 337.508 2.732 20 70 EFIDRO COc1cc(CCC(=O)NCC(C)(C)C[NH+](C)C)ccc1Cl ZINC000161086620 239062305 /nfs/dbraw/zinc/06/23/05/239062305.db2.gz PJRBYZPXSMONDQ-UHFFFAOYSA-N 1 0 326.868 2.985 20 70 EFIDRO COCCC1(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000161117916 239064650 /nfs/dbraw/zinc/06/46/50/239064650.db2.gz PCFCIVKUWFTBLL-UHFFFAOYSA-N 1 0 337.508 2.711 20 70 EFIDRO CO[C@@H]1CCN(Cc2cc(Br)ccc2F)[C@H](C[NH3+])C1 ZINC000161027002 204923231 /nfs/dbraw/zinc/92/32/31/204923231.db2.gz KVKJRWLENGMZIA-QWHCGFSZSA-N 1 0 331.229 2.526 20 70 EFIDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(O)c1C ZINC000159458324 206247003 /nfs/dbraw/zinc/24/70/03/206247003.db2.gz JAHXDQSGHPECPM-ROUUACIJSA-N 1 0 346.471 2.507 20 70 EFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000159389429 206243074 /nfs/dbraw/zinc/24/30/74/206243074.db2.gz KBHBCKDXMCBKPL-HOCLYGCPSA-N 1 0 340.489 2.547 20 70 EFIDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000159596774 206254374 /nfs/dbraw/zinc/25/43/74/206254374.db2.gz PNKQTRZJXBIGKG-NSHDSACASA-N 1 0 334.363 2.576 20 70 EFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCC(=O)C[C@@H]2C)c1 ZINC000159637566 206255762 /nfs/dbraw/zinc/25/57/62/206255762.db2.gz KYANIAHCLCOCBC-LPHOPBHVSA-N 1 0 330.472 2.891 20 70 EFIDRO O=C(NCCOc1ccccc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159628623 206256760 /nfs/dbraw/zinc/25/67/60/206256760.db2.gz NEVILYFSKWLHFL-ZDUSSCGKSA-N 1 0 337.851 2.502 20 70 EFIDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159661168 206257027 /nfs/dbraw/zinc/25/70/27/206257027.db2.gz KBXNOFLPJMDEGP-CJNGLKHVSA-N 1 0 329.444 2.673 20 70 EFIDRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)COC)c(C)c2)CC1 ZINC000159666771 206257312 /nfs/dbraw/zinc/25/73/12/206257312.db2.gz SQJFTJVJLMWILM-UHFFFAOYSA-N 1 0 333.476 2.748 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000159651535 206257473 /nfs/dbraw/zinc/25/74/73/206257473.db2.gz CTIZXPJNDHVZII-LJQANCHMSA-N 1 0 345.487 2.993 20 70 EFIDRO COC(=O)Nc1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159667331 206257673 /nfs/dbraw/zinc/25/76/73/206257673.db2.gz MOEFDDYGIABQLM-UHFFFAOYSA-N 1 0 333.432 2.907 20 70 EFIDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159661461 206258205 /nfs/dbraw/zinc/25/82/05/206258205.db2.gz KBXNOFLPJMDEGP-CZUORRHYSA-N 1 0 329.444 2.673 20 70 EFIDRO CC(C)=CC(=O)NCc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159684427 206259387 /nfs/dbraw/zinc/25/93/87/206259387.db2.gz YTILKCRFZSXKJG-UHFFFAOYSA-N 1 0 343.471 2.660 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000159688069 206259537 /nfs/dbraw/zinc/25/95/37/206259537.db2.gz ZRUDHXFCJOZHOM-AWEZNQCLSA-N 1 0 345.447 2.779 20 70 EFIDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c(OC)c1OC ZINC000159490198 206249047 /nfs/dbraw/zinc/24/90/47/206249047.db2.gz AWZFJHNYMCDFPY-BVGQSLNGSA-N 1 0 333.428 2.760 20 70 EFIDRO C[C@H]1Sc2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2NC1=O ZINC000159508238 206250204 /nfs/dbraw/zinc/25/02/04/206250204.db2.gz JHYWNWBEJPSPTH-LLVKDONJSA-N 1 0 333.457 2.511 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1csc(-c2ccco2)n1 ZINC000159719480 206261133 /nfs/dbraw/zinc/26/11/33/206261133.db2.gz GJWUWWZCDRJGLX-UHFFFAOYSA-N 1 0 336.461 2.885 20 70 EFIDRO CC[C@H](CNC(=O)C1([NH3+])CC1)Cc1cccc(Br)c1 ZINC000159755956 206261590 /nfs/dbraw/zinc/26/15/90/206261590.db2.gz IZGAHLDBBWRQPZ-NSHDSACASA-N 1 0 325.250 2.625 20 70 EFIDRO COCCOc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000159754994 206262576 /nfs/dbraw/zinc/26/25/76/206262576.db2.gz RYGJYOBYTXHLRA-QAPCUYQASA-N 1 0 347.459 2.660 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000159774891 206261933 /nfs/dbraw/zinc/26/19/33/206261933.db2.gz UHNHWPRBDHRSBC-INIZCTEOSA-N 1 0 333.476 2.754 20 70 EFIDRO COc1cccc(CO[C@H](C)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159800621 206263496 /nfs/dbraw/zinc/26/34/96/206263496.db2.gz ABGOSHLPSDCZPK-OAHLLOKOSA-N 1 0 346.471 2.591 20 70 EFIDRO CC[C@@H](C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)[NH+](C)C ZINC000159820510 206265210 /nfs/dbraw/zinc/26/52/10/206265210.db2.gz GIGKBLKXLFFTAU-KRWDZBQOSA-N 1 0 331.460 2.837 20 70 EFIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000159843689 206267754 /nfs/dbraw/zinc/26/77/54/206267754.db2.gz LZEJYCFNHVOYBN-DNVCBOLYSA-N 1 0 328.456 2.556 20 70 EFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000159874541 206268702 /nfs/dbraw/zinc/26/87/02/206268702.db2.gz JQIIZAFNRRRSJQ-LSDHHAIUSA-N 1 0 337.533 2.731 20 70 EFIDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000159904073 206269745 /nfs/dbraw/zinc/26/97/45/206269745.db2.gz RKVPMGRTKFALDV-OXQOHEQNSA-N 1 0 340.467 2.906 20 70 EFIDRO CCC[C@@H](CCO)CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159926466 206269976 /nfs/dbraw/zinc/26/99/76/206269976.db2.gz JUUQPQZATCEODD-LNLFQRSKSA-N 1 0 347.503 2.747 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2cscn2)C[N@@H+]1Cc1ccccc1 ZINC000159896347 206270300 /nfs/dbraw/zinc/27/03/00/206270300.db2.gz OJERRNCVMQAKPR-ZBFHGGJFSA-N 1 0 344.484 2.948 20 70 EFIDRO CCn1nccc1C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000159927226 206271326 /nfs/dbraw/zinc/27/13/26/206271326.db2.gz CPADINMLPZRRDJ-GOSISDBHSA-N 1 0 348.878 2.720 20 70 EFIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC000159939831 206271402 /nfs/dbraw/zinc/27/14/02/206271402.db2.gz RUJPSJZSGHIVBF-MRXNPFEDSA-N 1 0 341.459 2.509 20 70 EFIDRO CCC[C@@H]1CN(C(=O)Nc2ccc(Cl)nc2)CC[N@@H+]1CCOC ZINC000160009998 206274439 /nfs/dbraw/zinc/27/44/39/206274439.db2.gz UUJAQGLRHONHSN-CQSZACIVSA-N 1 0 340.855 2.700 20 70 EFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000160060668 206278287 /nfs/dbraw/zinc/27/82/87/206278287.db2.gz ATZQPPCAVXYNLG-QWHCGFSZSA-N 1 0 326.872 2.772 20 70 EFIDRO CCc1ccc([C@H](C)CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000160109214 206279250 /nfs/dbraw/zinc/27/92/50/206279250.db2.gz PVUZYEPAUROKCP-QZTJIDSGSA-N 1 0 345.531 2.742 20 70 EFIDRO CCc1ccc(-c2nc(CC(=O)N3CCC[C@H]3C[NH3+])cs2)cc1 ZINC000160129988 206280483 /nfs/dbraw/zinc/28/04/83/206280483.db2.gz RYDOQLJNAXAIPK-INIZCTEOSA-N 1 0 329.469 2.865 20 70 EFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000160119109 206280952 /nfs/dbraw/zinc/28/09/52/206280952.db2.gz LDDOEGTZPKDZQG-GJZGRUSLSA-N 1 0 341.521 2.829 20 70 EFIDRO CSCC[C@H]([NH3+])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160126213 206281108 /nfs/dbraw/zinc/28/11/08/206281108.db2.gz OKBVMLWVEDCVSB-IRXDYDNUSA-N 1 0 336.501 2.667 20 70 EFIDRO O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160168227 206282055 /nfs/dbraw/zinc/28/20/55/206282055.db2.gz CCOGEUQAIQNPRP-QGZVFWFLSA-N 1 0 340.464 2.606 20 70 EFIDRO Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000160145642 206282151 /nfs/dbraw/zinc/28/21/51/206282151.db2.gz UQILKCJPDMWSEV-OAHLLOKOSA-N 1 0 340.464 2.773 20 70 EFIDRO CC[C@H](CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000160154354 206282174 /nfs/dbraw/zinc/28/21/74/206282174.db2.gz GKZZIGLXJYQXFM-ZWKOTPCHSA-N 1 0 331.504 2.631 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2cc[nH]c2c1 ZINC000160168652 206282522 /nfs/dbraw/zinc/28/25/22/206282522.db2.gz YOZADQVRXPMNDE-RBUKOAKNSA-N 1 0 341.455 2.666 20 70 EFIDRO CC(C)Sc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160139999 206282546 /nfs/dbraw/zinc/28/25/46/206282546.db2.gz VFWXLMZYQMYZJV-MRXNPFEDSA-N 1 0 336.501 2.764 20 70 EFIDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1c(F)cccc1F ZINC000160211976 206285188 /nfs/dbraw/zinc/28/51/88/206285188.db2.gz DUEXCNBCPRXMGK-ZDUSSCGKSA-N 1 0 346.443 2.649 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000160261980 206286735 /nfs/dbraw/zinc/28/67/35/206286735.db2.gz VVIAAYQKWIGPSC-WDSOQIARSA-N 1 0 345.487 2.717 20 70 EFIDRO CCc1ccc([C@H](C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160288243 206287928 /nfs/dbraw/zinc/28/79/28/206287928.db2.gz GOOYYBBZZCSGOW-VQIMIIECSA-N 1 0 332.488 2.706 20 70 EFIDRO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160301121 206289403 /nfs/dbraw/zinc/28/94/03/206289403.db2.gz AYEBEOOPHCHRHJ-GFCCVEGCSA-N 1 0 347.802 2.667 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCCO1)c1cccc(OC)c1 ZINC000160332999 206290813 /nfs/dbraw/zinc/29/08/13/206290813.db2.gz ZROWYWRDKVGKDI-QZTJIDSGSA-N 1 0 334.460 2.763 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000160349660 206291495 /nfs/dbraw/zinc/29/14/95/206291495.db2.gz KOZUXUQOPLWZNC-AWEZNQCLSA-N 1 0 329.425 2.564 20 70 EFIDRO CCCOc1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH3+])cc1OCC ZINC000160343212 206291542 /nfs/dbraw/zinc/29/15/42/206291542.db2.gz ZQRFCYWANWCPFD-DZZUKKPASA-N 1 0 332.444 2.837 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000160347824 206290872 /nfs/dbraw/zinc/29/08/72/206290872.db2.gz GWYVIBSRGLDIOO-APWZRJJASA-N 1 0 338.455 2.886 20 70 EFIDRO COc1ccc([C@H](C[NH2+][C@H](C)C(C)C)N2CCOCC2)cc1OC ZINC000160336522 206291323 /nfs/dbraw/zinc/29/13/23/206291323.db2.gz PBESGGZMGDSYHS-WBVHZDCISA-N 1 0 336.476 2.711 20 70 EFIDRO CC[C@@H]([NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CC1 ZINC000160367800 206293249 /nfs/dbraw/zinc/29/32/49/206293249.db2.gz YAZAYLWJSQGFER-QZTJIDSGSA-N 1 0 348.487 2.855 20 70 EFIDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000160366728 206292707 /nfs/dbraw/zinc/29/27/07/206292707.db2.gz YXOFVEPNXPCBBP-HOCLYGCPSA-N 1 0 340.851 2.540 20 70 EFIDRO CC[C@H]([NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CC1 ZINC000160367412 206293575 /nfs/dbraw/zinc/29/35/75/206293575.db2.gz YAZAYLWJSQGFER-ROUUACIJSA-N 1 0 348.487 2.855 20 70 EFIDRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160389768 206294331 /nfs/dbraw/zinc/29/43/31/206294331.db2.gz JFFUHOBSPIKMAP-OXJNMPFZSA-N 1 0 338.426 2.931 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000160388136 206294416 /nfs/dbraw/zinc/29/44/16/206294416.db2.gz HMXSXGYEMWUVIV-INMHGKMJSA-N 1 0 332.419 2.765 20 70 EFIDRO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCO1 ZINC000160433439 206297030 /nfs/dbraw/zinc/29/70/30/206297030.db2.gz RMJLLXJESPNOGL-OAHLLOKOSA-N 1 0 343.427 2.895 20 70 EFIDRO [NH3+][C@@H]1[C@H](C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[C@@H]2CC[C@H]1C2 ZINC000160387739 206294681 /nfs/dbraw/zinc/29/46/81/206294681.db2.gz YYSMFGHITINBHE-WBOSRHFRSA-N 1 0 344.430 2.620 20 70 EFIDRO COC1(C(=O)NCC2(c3cccs3)CCCCC2)CC[NH2+]CC1 ZINC000160497424 206300906 /nfs/dbraw/zinc/30/09/06/206300906.db2.gz HLQXPCAHPDYTKP-UHFFFAOYSA-N 1 0 336.501 2.835 20 70 EFIDRO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000160535611 206301682 /nfs/dbraw/zinc/30/16/82/206301682.db2.gz QGKROQHJCQGLJP-UAGQMJEPSA-N 1 0 337.460 2.922 20 70 EFIDRO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000160532811 206302328 /nfs/dbraw/zinc/30/23/28/206302328.db2.gz BXHHNWUCEJMFTF-XLIONFOSSA-N 1 0 334.479 2.973 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)nc1 ZINC000160550539 206303100 /nfs/dbraw/zinc/30/31/00/206303100.db2.gz IATLNEPDMNUWHW-QGZVFWFLSA-N 1 0 330.476 2.532 20 70 EFIDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(C)(C)O ZINC000160644016 206307161 /nfs/dbraw/zinc/30/71/61/206307161.db2.gz DBVUCCAOMKEQSJ-SNVBAGLBSA-N 1 0 334.338 2.663 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000160705600 206309626 /nfs/dbraw/zinc/30/96/26/206309626.db2.gz GPMQWSHRANVLOU-AWEZNQCLSA-N 1 0 337.261 2.691 20 70 EFIDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160784057 206312510 /nfs/dbraw/zinc/31/25/10/206312510.db2.gz VCVLQYJOXSNRPW-UHOSZYNNSA-N 1 0 345.487 2.890 20 70 EFIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)c1ccc(F)cc1F ZINC000160995500 206322049 /nfs/dbraw/zinc/32/20/49/206322049.db2.gz MZFYLIBKUHIBBF-IINYFYTJSA-N 1 0 327.375 2.628 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)CCCOc2ccc(OC)cc2)CC1 ZINC000160996921 206322135 /nfs/dbraw/zinc/32/21/35/206322135.db2.gz HREGNVKOPLMPKE-UHFFFAOYSA-N 1 0 334.460 2.702 20 70 EFIDRO [NH3+]C1(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)CCCCC1 ZINC000161041150 206324532 /nfs/dbraw/zinc/32/45/32/206324532.db2.gz YCTSZSJVRBMYIT-IRXDYDNUSA-N 1 0 332.444 2.969 20 70 EFIDRO O=C(Nc1cnn(-c2ccccc2F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161072841 206327028 /nfs/dbraw/zinc/32/70/28/206327028.db2.gz ZMAFJXATQCTMOU-RCBQFDQVSA-N 1 0 328.391 2.871 20 70 EFIDRO O=C(C[NH2+]C1CCN(CC(F)(F)F)CC1)Nc1ccc(Cl)cc1 ZINC000161100862 206328055 /nfs/dbraw/zinc/32/80/55/206328055.db2.gz KESWAACIQCJIPS-UHFFFAOYSA-N 1 0 349.784 2.895 20 70 EFIDRO Clc1ccc(CN2CCN(CCC[NH+]3CCCCC3)CC2)cn1 ZINC000161140081 206329562 /nfs/dbraw/zinc/32/95/62/206329562.db2.gz WXCKRYLDFHOWTN-UHFFFAOYSA-N 1 0 336.911 2.729 20 70 EFIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000161145115 206330898 /nfs/dbraw/zinc/33/08/98/206330898.db2.gz OCBZJZKTBHNRIA-YPMHNXCESA-N 1 0 343.265 2.706 20 70 EFIDRO Cc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1C ZINC000160578587 206304617 /nfs/dbraw/zinc/30/46/17/206304617.db2.gz PENJUZNKOQBNKB-RBUKOAKNSA-N 1 0 330.472 2.801 20 70 EFIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160568594 206305373 /nfs/dbraw/zinc/30/53/73/206305373.db2.gz JGIJZEWYWLSIKU-LXZKKBNFSA-N 1 0 340.489 2.650 20 70 EFIDRO c1ccn2c(c1)nnc2[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161181780 206332228 /nfs/dbraw/zinc/33/22/28/206332228.db2.gz RPDIYBJPRDXRPP-QGZVFWFLSA-N 1 0 327.476 2.785 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000161174295 206332512 /nfs/dbraw/zinc/33/25/12/206332512.db2.gz NTSLMJLFYSJONY-CQSZACIVSA-N 1 0 335.423 2.634 20 70 EFIDRO c1ccn2c(c1)nnc2[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161181885 206333252 /nfs/dbraw/zinc/33/32/52/206333252.db2.gz RPDIYBJPRDXRPP-KRWDZBQOSA-N 1 0 327.476 2.785 20 70 EFIDRO Cc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)c(Br)n1 ZINC000161186091 206333720 /nfs/dbraw/zinc/33/37/20/206333720.db2.gz RMHGVIUTYJLGRJ-UHFFFAOYSA-N 1 0 328.254 2.565 20 70 EFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000161203506 206335054 /nfs/dbraw/zinc/33/50/54/206335054.db2.gz QAVBUVXGCKEJPW-IYPVNNRCSA-N 1 0 344.480 2.780 20 70 EFIDRO O=C1CCCN1Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161272696 206338974 /nfs/dbraw/zinc/33/89/74/206338974.db2.gz NVADLOTZIJHIOC-UHFFFAOYSA-N 1 0 344.455 2.584 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000161283660 206339381 /nfs/dbraw/zinc/33/93/81/206339381.db2.gz FJJUNZZRRZRLOQ-UHFFFAOYSA-N 1 0 345.365 2.560 20 70 EFIDRO CCCNC(=O)c1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161306301 206340258 /nfs/dbraw/zinc/34/02/58/206340258.db2.gz VEHWEOZOZBPPOV-UHFFFAOYSA-N 1 0 332.444 2.602 20 70 EFIDRO C[C@]1(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CCC[NH2+]C1 ZINC000161321931 206342035 /nfs/dbraw/zinc/34/20/35/206342035.db2.gz LUHXMUKETDVOEL-INIZCTEOSA-N 1 0 344.377 2.771 20 70 EFIDRO COCC[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(F)cc2F)CC1 ZINC000161345754 206342577 /nfs/dbraw/zinc/34/25/77/206342577.db2.gz YOJKIXOCTNJHFZ-ZDUSSCGKSA-N 1 0 340.414 2.685 20 70 EFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCOc2ccccc2C)c1 ZINC000161346365 206343230 /nfs/dbraw/zinc/34/32/30/206343230.db2.gz RWSGDACHKZNINY-OAHLLOKOSA-N 1 0 348.468 2.633 20 70 EFIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000161386929 206344465 /nfs/dbraw/zinc/34/44/65/206344465.db2.gz RGBNHKFNWXYPNA-INIZCTEOSA-N 1 0 345.487 2.677 20 70 EFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161422652 206347617 /nfs/dbraw/zinc/34/76/17/206347617.db2.gz RNERAXUIDZTBFV-FTXHTYHOSA-N 1 0 345.487 2.752 20 70 EFIDRO C[N@H+](CCCNC(=O)N[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000161469682 206349642 /nfs/dbraw/zinc/34/96/42/206349642.db2.gz HNQNXVPHSPFRSZ-KRWDZBQOSA-N 1 0 333.476 2.765 20 70 EFIDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000161465204 206350003 /nfs/dbraw/zinc/35/00/03/206350003.db2.gz BMMVYUXLGVQASC-CQSZACIVSA-N 1 0 334.460 2.973 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000161496027 206351576 /nfs/dbraw/zinc/35/15/76/206351576.db2.gz XKDAXJSUJASQFC-SGTLLEGYSA-N 1 0 344.411 2.987 20 70 EFIDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CCN(C)CC1 ZINC000161498476 206352646 /nfs/dbraw/zinc/35/26/46/206352646.db2.gz USQFWSGHDNJVBI-AWEZNQCLSA-N 1 0 337.895 2.761 20 70 EFIDRO CS[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000161505009 206352681 /nfs/dbraw/zinc/35/26/81/206352681.db2.gz ZGTKUHXCDMJDDA-GFCCVEGCSA-N 1 0 330.444 2.997 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000160811831 532957072 /nfs/dbraw/zinc/95/70/72/532957072.db2.gz CQDNGTAAOMXTSL-MRVPVSSYSA-N 1 0 335.256 2.838 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)C1 ZINC000160771674 533036783 /nfs/dbraw/zinc/03/67/83/533036783.db2.gz SVHWHJODIMTUQL-APWZRJJASA-N 1 0 338.451 2.865 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000160139729 292174620 /nfs/dbraw/zinc/17/46/20/292174620.db2.gz JGPRPOAZOHRWOJ-KRWDZBQOSA-N 1 0 336.501 2.942 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(C(N)=O)cc1Cl ZINC000160243379 225369863 /nfs/dbraw/zinc/36/98/63/225369863.db2.gz AKEQFGUOCLWWDT-LRDDRELGSA-N 1 0 344.846 2.766 20 70 EFIDRO CC[C@H]([NH2+]Cc1ccnn1CC)c1ccccc1OCC(=O)N(C)C ZINC000160045437 544801906 /nfs/dbraw/zinc/80/19/06/544801906.db2.gz XYPZGKHLGWLMCB-KRWDZBQOSA-N 1 0 344.459 2.611 20 70 EFIDRO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1cccc(-n2cnnn2)c1 ZINC000160386802 544805208 /nfs/dbraw/zinc/80/52/08/544805208.db2.gz SBNPHQOIZUNZDO-BEFAXECRSA-N 1 0 342.491 2.823 20 70 EFIDRO CSc1ccc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1Cl ZINC000160347708 544805485 /nfs/dbraw/zinc/80/54/85/544805485.db2.gz QTGRVQUEKKEQTN-GWCFXTLKSA-N 1 0 343.880 2.903 20 70 EFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@H+](CC1CC1)C1CCCCC1 ZINC000160418797 544805546 /nfs/dbraw/zinc/80/55/46/544805546.db2.gz YKZSJSWXYZKXLC-UHFFFAOYSA-N 1 0 333.476 2.896 20 70 EFIDRO O=C(CCc1ccccc1F)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160533862 544806444 /nfs/dbraw/zinc/80/64/44/544806444.db2.gz DSYSSFAZOVEESM-RBUKOAKNSA-N 1 0 348.462 2.642 20 70 EFIDRO CC[NH+](CC)CCNC(=O)NC[C@@H](OC)c1ccccc1Cl ZINC000160637668 544807743 /nfs/dbraw/zinc/80/77/43/544807743.db2.gz SGEKPGINXPPQAP-OAHLLOKOSA-N 1 0 327.856 2.669 20 70 EFIDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000161300313 544812674 /nfs/dbraw/zinc/81/26/74/544812674.db2.gz KNIYJLNBTFGMIK-PKOQZONYSA-N 1 0 337.485 2.739 20 70 EFIDRO CCN(C(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000161334514 544813042 /nfs/dbraw/zinc/81/30/42/544813042.db2.gz QIBUFRZABDUFOE-QGZVFWFLSA-N 1 0 338.455 2.645 20 70 EFIDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161342588 544813162 /nfs/dbraw/zinc/81/31/62/544813162.db2.gz HUDZYLHRLLOXAE-MTNOOBJLSA-N 1 0 344.503 2.533 20 70 EFIDRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)o1 ZINC000159423793 544794851 /nfs/dbraw/zinc/79/48/51/544794851.db2.gz VGCUNVPXZMKCIC-FMKPAKJESA-N 1 0 340.489 2.697 20 70 EFIDRO CCCC(=O)Nc1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159643837 544797237 /nfs/dbraw/zinc/79/72/37/544797237.db2.gz LYGIRZCJKSODDK-UHFFFAOYSA-N 1 0 346.475 2.662 20 70 EFIDRO CO[C@@H]1CCN(Cc2ccc(C)cc2Br)[C@@H](C[NH3+])C1 ZINC000160999243 274064366 /nfs/dbraw/zinc/06/43/66/274064366.db2.gz YXUOJXQDZUZEDL-ZIAGYGMSSA-N 1 0 327.266 2.696 20 70 EFIDRO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@H](C)[NH3+])CCO2 ZINC000161214467 274134765 /nfs/dbraw/zinc/13/47/65/274134765.db2.gz QMFWLPFJMNGUQJ-KBXCAEBGSA-N 1 0 340.423 2.895 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160750431 275936362 /nfs/dbraw/zinc/93/63/62/275936362.db2.gz ZOQXJESAEQVOHG-ROUUACIJSA-N 1 0 333.476 2.888 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000161194150 277277420 /nfs/dbraw/zinc/27/74/20/277277420.db2.gz BMSONBJATCSGBI-MNOVXSKESA-N 1 0 331.243 2.971 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC000161205741 277285181 /nfs/dbraw/zinc/28/51/81/277285181.db2.gz DOPODHOHKFYADB-GOSISDBHSA-N 1 0 339.439 2.793 20 70 EFIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccccc3)CCOCC2)CC1 ZINC000161281585 278088522 /nfs/dbraw/zinc/08/85/22/278088522.db2.gz VYKDIXOMESZAAD-UHFFFAOYSA-N 1 0 330.472 2.772 20 70 EFIDRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3C[NH3+])c21 ZINC000160254108 278112113 /nfs/dbraw/zinc/11/21/13/278112113.db2.gz FXQUHRCJIKENEH-GFCCVEGCSA-N 1 0 328.416 2.787 20 70 EFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCCCCC1 ZINC000159933265 278378697 /nfs/dbraw/zinc/37/86/97/278378697.db2.gz QMOWTIMMQYFBAL-HZPDHXFCSA-N 1 0 341.459 2.709 20 70 EFIDRO CC(C)CC(=O)N[C@@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159496683 278719387 /nfs/dbraw/zinc/71/93/87/278719387.db2.gz LIORBZUQXWRFPC-GOSISDBHSA-N 1 0 345.487 2.668 20 70 EFIDRO Cc1cnccc1CCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000159937290 279026603 /nfs/dbraw/zinc/02/66/03/279026603.db2.gz VSMMZIZYHLUJMX-HLLBOEOZSA-N 1 0 332.492 2.598 20 70 EFIDRO CC[C@@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000159871654 280142295 /nfs/dbraw/zinc/14/22/95/280142295.db2.gz MSCRMZKVLPLEHG-BXWFABGCSA-N 1 0 345.487 2.642 20 70 EFIDRO Cc1c2cccc(C)c2oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160185115 280268348 /nfs/dbraw/zinc/26/83/48/280268348.db2.gz AIJVCXYBXAYNNQ-OAHLLOKOSA-N 1 0 330.428 2.626 20 70 EFIDRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000217139741 280615151 /nfs/dbraw/zinc/61/51/51/280615151.db2.gz LVAXNUZSPUGXDP-GDBMZVCRSA-N 1 0 335.517 2.610 20 70 EFIDRO [NH3+]C1(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)CCCCC1 ZINC000159673948 303359397 /nfs/dbraw/zinc/35/93/97/303359397.db2.gz VGQWYERJPDXEBP-KRWDZBQOSA-N 1 0 347.528 2.554 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000159901679 310692910 /nfs/dbraw/zinc/69/29/10/310692910.db2.gz WIIIJUHXHJMJFL-KGLIPLIRSA-N 1 0 325.474 2.946 20 70 EFIDRO Cc1cccc(-n2cc(C(=O)NCc3cccc(C[NH+](C)C)c3)nn2)c1 ZINC000159989936 310693741 /nfs/dbraw/zinc/69/37/41/310693741.db2.gz SFBFNORZMBNNOZ-UHFFFAOYSA-N 1 0 349.438 2.567 20 70 EFIDRO CC1CC[NH+](CCCNC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160214966 310696131 /nfs/dbraw/zinc/69/61/31/310696131.db2.gz WUECLHVGKCIWPB-OAHLLOKOSA-N 1 0 337.489 2.846 20 70 EFIDRO COc1ccccc1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C(C)C ZINC000160616848 310701042 /nfs/dbraw/zinc/70/10/42/310701042.db2.gz WMOZPVPQPBPVDV-ZDUSSCGKSA-N 1 0 332.366 2.530 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCOC2CCCC2)CC1 ZINC000160663535 310701533 /nfs/dbraw/zinc/70/15/33/310701533.db2.gz AQAXZMWCPZKLPE-UHFFFAOYSA-N 1 0 325.497 2.709 20 70 EFIDRO COC(=O)c1csc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000160950361 310704572 /nfs/dbraw/zinc/70/45/72/310704572.db2.gz NQLIFQBIBYROIM-UHFFFAOYSA-N 1 0 339.461 2.969 20 70 EFIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(F)cc1F ZINC000160996503 310704766 /nfs/dbraw/zinc/70/47/66/310704766.db2.gz OOXWHOSLABKPBQ-XHDPSFHLSA-N 1 0 341.402 2.876 20 70 EFIDRO CCCCOCCN(C(=O)[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000161015173 310704989 /nfs/dbraw/zinc/70/49/89/310704989.db2.gz PFCXTAFPNZTZFS-GFCCVEGCSA-N 1 0 343.265 2.946 20 70 EFIDRO CCC[C@H]1CN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CCO1 ZINC000161062189 310705566 /nfs/dbraw/zinc/70/55/66/310705566.db2.gz BFWHJXCHXBBAKP-ROUUACIJSA-N 1 0 333.476 2.808 20 70 EFIDRO C[C@@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)C[NH+]1CCCC1 ZINC000161109633 310706031 /nfs/dbraw/zinc/70/60/31/310706031.db2.gz HGFYLKGNHJXVIQ-HNNXBMFYSA-N 1 0 343.475 2.527 20 70 EFIDRO CC[NH+]1CCC(NC(=O)CN2c3ccccc3S[C@@H](C)[C@@H]2C)CC1 ZINC000161191326 310706869 /nfs/dbraw/zinc/70/68/69/310706869.db2.gz XQIBZWXJFFLNIP-GJZGRUSLSA-N 1 0 347.528 2.976 20 70 EFIDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000161461225 310709630 /nfs/dbraw/zinc/70/96/30/310709630.db2.gz XQUBIDCQJZOHII-KSZLIROESA-N 1 0 343.471 2.505 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000161097521 473206349 /nfs/dbraw/zinc/20/63/49/473206349.db2.gz ISLGSSADBHMXLN-ZIAGYGMSSA-N 1 0 337.261 2.867 20 70 EFIDRO C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H]1c1ccccc1 ZINC000161092952 473206559 /nfs/dbraw/zinc/20/65/59/473206559.db2.gz OXOAAYQSAGADJY-RHSMWYFYSA-N 1 0 327.432 2.670 20 70 EFIDRO CCC(CC)c1cc(CNC(=O)C2([NH3+])Cc3ccccc3C2)on1 ZINC000161109001 473207314 /nfs/dbraw/zinc/20/73/14/473207314.db2.gz MJXVOFYPJNBGOY-UHFFFAOYSA-N 1 0 327.428 2.691 20 70 EFIDRO CO[C@H]1CCN(Cc2cc(Br)ccc2F)[C@H](C[NH3+])C1 ZINC000161027129 473199664 /nfs/dbraw/zinc/19/96/64/473199664.db2.gz KVKJRWLENGMZIA-STQMWFEESA-N 1 0 331.229 2.526 20 70 EFIDRO CC(C)(C)[C@H](CCO)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000161110202 473207442 /nfs/dbraw/zinc/20/74/42/473207442.db2.gz ATXLJNISVCSRAU-MSOLQXFVSA-N 1 0 347.503 2.920 20 70 EFIDRO C[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Sc1ccccc1 ZINC000161116566 473208363 /nfs/dbraw/zinc/20/83/63/473208363.db2.gz ALHVQNVUHWWPSU-CQSZACIVSA-N 1 0 326.465 2.780 20 70 EFIDRO CCN(C(=O)NCc1ncoc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161118581 473209203 /nfs/dbraw/zinc/20/92/03/473209203.db2.gz SHZLRJKUYIGVQL-KRWDZBQOSA-N 1 0 342.443 2.789 20 70 EFIDRO COc1ccc(OCC[NH+]2CCN(c3cc(C)ccn3)CC2)cc1 ZINC000161134718 473210442 /nfs/dbraw/zinc/21/04/42/473210442.db2.gz MLMKPFAHCABZQV-UHFFFAOYSA-N 1 0 327.428 2.600 20 70 EFIDRO C[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)Oc1cccc(F)c1 ZINC000161152068 473212019 /nfs/dbraw/zinc/21/20/19/473212019.db2.gz OLWIEIPOOZHIFU-ACJLOTCBSA-N 1 0 328.387 2.596 20 70 EFIDRO Cc1n[nH]cc1CN(C)CC(=O)Nc1ccccc1Br ZINC000161180949 473214977 /nfs/dbraw/zinc/21/49/77/473214977.db2.gz VEWUEUAJLRUOKV-UHFFFAOYSA-N 1 0 337.221 2.551 20 70 EFIDRO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000161250771 473220667 /nfs/dbraw/zinc/22/06/67/473220667.db2.gz RSWYPFHNQUPAKH-RTBURBONSA-N 1 0 330.472 2.687 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 ZINC000161215033 473217721 /nfs/dbraw/zinc/21/77/21/473217721.db2.gz ZPQKGWJSSAJJLS-QWHCGFSZSA-N 1 0 349.381 2.939 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000161215523 473217881 /nfs/dbraw/zinc/21/78/81/473217881.db2.gz PTFINOZKFCZJEL-UHFFFAOYSA-N 1 0 336.436 2.972 20 70 EFIDRO COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CC[NH3+])CCO2 ZINC000161214827 473218308 /nfs/dbraw/zinc/21/83/08/473218308.db2.gz NHASPYDLFLIWLH-SFHVURJKSA-N 1 0 340.423 2.896 20 70 EFIDRO CC(C)(CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[NH+]1CCCCC1 ZINC000161250518 473220523 /nfs/dbraw/zinc/22/05/23/473220523.db2.gz MOFFQUZTEPHOOY-XHSDSOJGSA-N 1 0 335.492 2.508 20 70 EFIDRO COc1ccc([C@H](NC(=O)[C@@H](C)[NH3+])c2ccccc2Cl)c(OC)c1 ZINC000161274513 473222444 /nfs/dbraw/zinc/22/24/44/473222444.db2.gz PIZXLVNMXVIXTG-PIGZYNQJSA-N 1 0 348.830 2.910 20 70 EFIDRO CC(C)n1cc(Br)cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161288327 473224014 /nfs/dbraw/zinc/22/40/14/473224014.db2.gz XYWXICVCWQUFCM-RYUDHWBXSA-N 1 0 328.254 2.831 20 70 EFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)nc3ccc(OC)cc32)C1 ZINC000161322621 473226340 /nfs/dbraw/zinc/22/63/40/473226340.db2.gz YMXKNLWXWJEBCM-AWEZNQCLSA-N 1 0 327.428 2.623 20 70 EFIDRO O=C(Nc1ccc(F)c(Br)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000161385286 473230638 /nfs/dbraw/zinc/23/06/38/473230638.db2.gz ZHOXDQWOBBCEDU-SNVBAGLBSA-N 1 0 327.197 2.916 20 70 EFIDRO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC000161402639 473232916 /nfs/dbraw/zinc/23/29/16/473232916.db2.gz LAWBCYVMTMDSON-AEFFLSMTSA-N 1 0 332.444 2.517 20 70 EFIDRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161405128 473233037 /nfs/dbraw/zinc/23/30/37/473233037.db2.gz CXUHDIRYVUUNEC-CQSZACIVSA-N 1 0 342.443 2.621 20 70 EFIDRO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161402012 473233062 /nfs/dbraw/zinc/23/30/62/473233062.db2.gz DEELYYVCYGWUSB-QGZVFWFLSA-N 1 0 348.454 2.790 20 70 EFIDRO CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000161420620 473234883 /nfs/dbraw/zinc/23/48/83/473234883.db2.gz HDOJCHJLKQPIJM-HOTGVXAUSA-N 1 0 341.459 2.529 20 70 EFIDRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000161469291 473238025 /nfs/dbraw/zinc/23/80/25/473238025.db2.gz BAKSKPLFIFLLHG-UONOGXRCSA-N 1 0 335.423 2.810 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc([C@H]2CCCO2)n1 ZINC000161479430 473239260 /nfs/dbraw/zinc/23/92/60/473239260.db2.gz XKOIVQWSHQRSDZ-UKRRQHHQSA-N 1 0 337.489 2.845 20 70 EFIDRO Cc1nn(C)c(C)c1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161500499 473239580 /nfs/dbraw/zinc/23/95/80/473239580.db2.gz RUMVZLWYZKKMIW-UHFFFAOYSA-N 1 0 346.519 2.739 20 70 EFIDRO C[N@H+](CCCNC(=O)N[C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000161491939 473239966 /nfs/dbraw/zinc/23/99/66/473239966.db2.gz KYSMWCNCCFTTET-HNNXBMFYSA-N 1 0 325.497 2.898 20 70 EFIDRO CCOCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159384222 473023098 /nfs/dbraw/zinc/02/30/98/473023098.db2.gz QCSRLZSCTZQZHN-ZDUSSCGKSA-N 1 0 325.840 2.812 20 70 EFIDRO CC(C)[C@@H](C(=O)NCCc1ccccc1OC(F)(F)F)[NH+](C)C ZINC000159383568 473023170 /nfs/dbraw/zinc/02/31/70/473023170.db2.gz ZSVLROXPGYWARY-AWEZNQCLSA-N 1 0 332.366 2.830 20 70 EFIDRO O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cccn1C1CC[NH2+]CC1 ZINC000159381819 473023226 /nfs/dbraw/zinc/02/32/26/473023226.db2.gz CLHQHJHKCQFRBW-BBRMVZONSA-N 1 0 345.393 2.977 20 70 EFIDRO CN1CCc2ccc(C(=O)NCc3ccc(F)c(C[NH+](C)C)c3)cc21 ZINC000159385665 473023739 /nfs/dbraw/zinc/02/37/39/473023739.db2.gz LJYDHTXSQNBVAZ-UHFFFAOYSA-N 1 0 341.430 2.810 20 70 EFIDRO O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CC[NH2+]CC1 ZINC000159427959 473027333 /nfs/dbraw/zinc/02/73/33/473027333.db2.gz LTKHMKRXZRVMMS-UHFFFAOYSA-N 1 0 341.358 2.874 20 70 EFIDRO O=C(NCCc1cscn1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000159464852 473029674 /nfs/dbraw/zinc/02/96/74/473029674.db2.gz YLAWYBPEQJNTGC-UHFFFAOYSA-N 1 0 336.505 2.593 20 70 EFIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)[C@@H](C)C1 ZINC000159476947 473031863 /nfs/dbraw/zinc/03/18/63/473031863.db2.gz WCTNKUANQVMSDE-KSSFIOAISA-N 1 0 341.459 2.622 20 70 EFIDRO Cc1cc(NC(=O)[C@@H]([NH3+])c2ccccc2)ccc1C(=O)NC(C)C ZINC000159496895 473032107 /nfs/dbraw/zinc/03/21/07/473032107.db2.gz GFVVDBZJNMEZPI-KRWDZBQOSA-N 1 0 325.412 2.772 20 70 EFIDRO CN(CCNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccccc1 ZINC000159495158 473032792 /nfs/dbraw/zinc/03/27/92/473032792.db2.gz UBQDCBNLEMCRCF-UHFFFAOYSA-N 1 0 332.492 2.639 20 70 EFIDRO CC(C)[NH2+]CCC(=O)NCCCc1cccc(Br)c1 ZINC000159520054 473035724 /nfs/dbraw/zinc/03/57/24/473035724.db2.gz CKYKHTQMOZVAGE-UHFFFAOYSA-N 1 0 327.266 2.886 20 70 EFIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)CC1 ZINC000159557223 473038101 /nfs/dbraw/zinc/03/81/01/473038101.db2.gz WZMSBEGLVNQAQA-GJZGRUSLSA-N 1 0 338.398 2.944 20 70 EFIDRO O=C(CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCCCC1 ZINC000159567323 473039830 /nfs/dbraw/zinc/03/98/30/473039830.db2.gz FJJKBUCHYIZBPL-FQEVSTJZSA-N 1 0 328.456 2.563 20 70 EFIDRO CC(=O)N(c1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1)C1CC1 ZINC000159575982 473040405 /nfs/dbraw/zinc/04/04/05/473040405.db2.gz ZBCZICGJJKDHON-XHSDSOJGSA-N 1 0 347.484 2.706 20 70 EFIDRO O=C(c1cccc(Cl)c1)N1CCC[N@H+](CCOCC2CC2)CC1 ZINC000159582454 473041171 /nfs/dbraw/zinc/04/11/71/473041171.db2.gz KENQOCJROUXYID-UHFFFAOYSA-N 1 0 336.863 2.915 20 70 EFIDRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)nn1-c1ccc(F)cc1F ZINC000159585327 473041719 /nfs/dbraw/zinc/04/17/19/473041719.db2.gz ZVKMOHYDQDVPRJ-QGZVFWFLSA-N 1 0 348.397 2.529 20 70 EFIDRO O=C(CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)NC1CCCC1 ZINC000159610493 473043844 /nfs/dbraw/zinc/04/38/44/473043844.db2.gz ZRGFXPAVRJXSQI-FQEVSTJZSA-N 1 0 328.456 2.609 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccnc2OC2CCCC2)CC1 ZINC000159607720 473044484 /nfs/dbraw/zinc/04/44/84/473044484.db2.gz FQFZVBCHXCVRHE-UHFFFAOYSA-N 1 0 346.475 2.640 20 70 EFIDRO COc1cc(Br)c(CN(C)[C@H](C[NH3+])C2CC2)cc1OC ZINC000159723005 473055539 /nfs/dbraw/zinc/05/55/39/473055539.db2.gz KKBHGTJSXXWMNK-CYBMUJFWSA-N 1 0 343.265 2.635 20 70 EFIDRO CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CC[NH2+]C(C)C ZINC000159783636 473060374 /nfs/dbraw/zinc/06/03/74/473060374.db2.gz KWVSMZMVBKDJOG-UHFFFAOYSA-N 1 0 339.867 2.905 20 70 EFIDRO COc1ccc(Cl)cc1CN(C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000159807722 473061532 /nfs/dbraw/zinc/06/15/32/473061532.db2.gz UOFHSEYDUUYGGM-AWEZNQCLSA-N 1 0 342.892 2.744 20 70 EFIDRO CCOc1cc(Cl)ccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159808697 473062103 /nfs/dbraw/zinc/06/21/03/473062103.db2.gz WUINPALNXLSVCP-CYBMUJFWSA-N 1 0 339.867 2.880 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)CCCc1nc(C2CC2)no1)C1CCCCC1 ZINC000159829644 473064316 /nfs/dbraw/zinc/06/43/16/473064316.db2.gz QCGZAGOCYHJNTQ-MRXNPFEDSA-N 1 0 348.491 2.896 20 70 EFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(-n2ccnn2)cc1 ZINC000159847555 473065944 /nfs/dbraw/zinc/06/59/44/473065944.db2.gz KDSWYKSKKFULRK-CVEARBPZSA-N 1 0 341.459 2.565 20 70 EFIDRO CC[C@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000159871539 473068472 /nfs/dbraw/zinc/06/84/72/473068472.db2.gz MSCRMZKVLPLEHG-FRQCXROJSA-N 1 0 345.487 2.642 20 70 EFIDRO Cc1cnccc1CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000159902356 473071064 /nfs/dbraw/zinc/07/10/64/473071064.db2.gz MRKZEGSNQJMVRB-HZPDHXFCSA-N 1 0 346.519 2.988 20 70 EFIDRO Cc1cnccc1CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000159902223 473071338 /nfs/dbraw/zinc/07/13/38/473071338.db2.gz MRKZEGSNQJMVRB-HOTGVXAUSA-N 1 0 346.519 2.988 20 70 EFIDRO C[C@]([NH2+]CCCOCCc1ccccc1)(C(N)=O)c1ccccc1 ZINC000159931044 473072683 /nfs/dbraw/zinc/07/26/83/473072683.db2.gz DOSRBMFEGXWMRI-HXUWFJFHSA-N 1 0 326.440 2.626 20 70 EFIDRO CCC(=O)N[C@@H]1CCCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159943940 473074625 /nfs/dbraw/zinc/07/46/25/473074625.db2.gz RSANKYKRFKPHJI-GOEBONIOSA-N 1 0 342.443 2.712 20 70 EFIDRO CCOCCC1(CNC(=O)N2CCC[N@H+](CC)CC2)CCCC1 ZINC000159988726 473078823 /nfs/dbraw/zinc/07/88/23/473078823.db2.gz VOPIBCSVEMLCPG-UHFFFAOYSA-N 1 0 325.497 2.711 20 70 EFIDRO CCOC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160019506 473081012 /nfs/dbraw/zinc/08/10/12/473081012.db2.gz RIOBFKQMQFXIBJ-QXAKKESOSA-N 1 0 345.487 2.717 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccn1 ZINC000160031127 473081277 /nfs/dbraw/zinc/08/12/77/473081277.db2.gz LTJNXDNXRPNGRZ-CQSZACIVSA-N 1 0 336.480 2.644 20 70 EFIDRO CCOC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000160065988 473083836 /nfs/dbraw/zinc/08/38/36/473083836.db2.gz MSHSBKWWBYYABM-QGZVFWFLSA-N 1 0 330.472 2.583 20 70 EFIDRO OCC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CCCC1 ZINC000160074944 473085856 /nfs/dbraw/zinc/08/58/56/473085856.db2.gz GVXDEHNCMNMEJN-UHFFFAOYSA-N 1 0 342.233 2.820 20 70 EFIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NCC[N@@H+](C)C(C)C ZINC000160136791 473090697 /nfs/dbraw/zinc/09/06/97/473090697.db2.gz WBJSMKODRUPGPP-UHFFFAOYSA-N 1 0 334.851 2.904 20 70 EFIDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000160143707 473091014 /nfs/dbraw/zinc/09/10/14/473091014.db2.gz JTQWDIVGUARBMG-UHFFFAOYSA-N 1 0 328.478 2.578 20 70 EFIDRO CC(C)[N@H+](C)CCNC(=O)CSc1cccc(Br)c1 ZINC000160137796 473091161 /nfs/dbraw/zinc/09/11/61/473091161.db2.gz QNAABRVJXVRLGN-UHFFFAOYSA-N 1 0 345.306 2.998 20 70 EFIDRO CCC[C@H]1CN(C(=O)NCc2ccc(C)s2)CC[N@@H+]1CCOC ZINC000160173058 473093969 /nfs/dbraw/zinc/09/39/69/473093969.db2.gz CCXYSQRGUDRZRH-HNNXBMFYSA-N 1 0 339.505 2.699 20 70 EFIDRO CC[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[NH+](C)C ZINC000160178670 473094040 /nfs/dbraw/zinc/09/40/40/473094040.db2.gz LOBUKQKDVLMGHQ-INIZCTEOSA-N 1 0 347.846 2.829 20 70 EFIDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160176948 473094136 /nfs/dbraw/zinc/09/41/36/473094136.db2.gz KOPPBNJQXSEFJX-QGZVFWFLSA-N 1 0 336.501 2.888 20 70 EFIDRO COc1ccccc1CNC(=O)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000160227953 473098460 /nfs/dbraw/zinc/09/84/60/473098460.db2.gz REYYKHNEMVCMCW-GOSISDBHSA-N 1 0 339.439 2.852 20 70 EFIDRO CCc1ccc([C@H](CO)NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160247357 473101248 /nfs/dbraw/zinc/10/12/48/473101248.db2.gz ZIXUKIYJAWTAKR-MOPGFXCFSA-N 1 0 347.503 2.702 20 70 EFIDRO CSC[C@@H](CCO)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000160257730 473102166 /nfs/dbraw/zinc/10/21/66/473102166.db2.gz GFTBMZNGFCXLDZ-GOSISDBHSA-N 1 0 340.508 2.536 20 70 EFIDRO COc1cc(C[NH2+][C@H](C)CC(=O)N(C)C)ccc1OC1CCCC1 ZINC000160288710 473104832 /nfs/dbraw/zinc/10/48/32/473104832.db2.gz IDVNZISFOBFAOO-CQSZACIVSA-N 1 0 334.460 2.973 20 70 EFIDRO COc1cc(C[NH2+][C@@H](C)CC(=O)N(C)C)ccc1OC1CCCC1 ZINC000160288563 473104915 /nfs/dbraw/zinc/10/49/15/473104915.db2.gz IDVNZISFOBFAOO-AWEZNQCLSA-N 1 0 334.460 2.973 20 70 EFIDRO CCCOc1c(Cl)cc(CN2CCC[C@H]2C(N)=O)cc1OCC ZINC000160357711 473111836 /nfs/dbraw/zinc/11/18/36/473111836.db2.gz ZCTUUEHHGBGVCZ-AWEZNQCLSA-N 1 0 340.851 2.977 20 70 EFIDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160382395 473114320 /nfs/dbraw/zinc/11/43/20/473114320.db2.gz NAYFGZSVYBQAMO-HNNXBMFYSA-N 1 0 328.460 2.709 20 70 EFIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160387373 473115905 /nfs/dbraw/zinc/11/59/05/473115905.db2.gz NEMZDOCAKNVRBB-IEBWSBKVSA-N 1 0 326.415 2.787 20 70 EFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000160443283 473125582 /nfs/dbraw/zinc/12/55/82/473125582.db2.gz XOLIUGHQRRVELE-OAHLLOKOSA-N 1 0 336.443 2.560 20 70 EFIDRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1Br ZINC000160449756 473127118 /nfs/dbraw/zinc/12/71/18/473127118.db2.gz UAKAXXUKUYKIDD-CQSZACIVSA-N 1 0 325.250 2.828 20 70 EFIDRO Cc1nc2ccccn2c1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000160479390 473131923 /nfs/dbraw/zinc/13/19/23/473131923.db2.gz JYBBJUJQERJGJU-UHFFFAOYSA-N 1 0 340.471 2.867 20 70 EFIDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000160493546 473132829 /nfs/dbraw/zinc/13/28/29/473132829.db2.gz RPJWNZZJDLCQQN-QFBILLFUSA-N 1 0 347.478 2.985 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000160561950 473142305 /nfs/dbraw/zinc/14/23/05/473142305.db2.gz MXQVAWXQORPARE-CYBMUJFWSA-N 1 0 329.366 2.951 20 70 EFIDRO CC(C)(C)CNC(=O)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000160571800 473145209 /nfs/dbraw/zinc/14/52/09/473145209.db2.gz BXFWFQQPPXOBBF-UHFFFAOYSA-N 1 0 345.487 2.678 20 70 EFIDRO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160595956 473148324 /nfs/dbraw/zinc/14/83/24/473148324.db2.gz XNXGOMNBYROERO-QMTMVMCOSA-N 1 0 332.444 2.649 20 70 EFIDRO COc1ccccc1CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000160657635 473157576 /nfs/dbraw/zinc/15/75/76/473157576.db2.gz OSISZMFQVZIJRD-QGZVFWFLSA-N 1 0 343.471 2.854 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000160729111 473166801 /nfs/dbraw/zinc/16/68/01/473166801.db2.gz ANQDUVVIOXUXJK-MFKMUULPSA-N 1 0 341.249 2.800 20 70 EFIDRO Cc1nccn1-c1ccc(NC(=O)c2cccc(-c3nc[nH]n3)c2)cn1 ZINC000160726990 473166910 /nfs/dbraw/zinc/16/69/10/473166910.db2.gz ICGKTUMZYZJGGL-UHFFFAOYSA-N 1 0 345.366 2.613 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000160735061 473168499 /nfs/dbraw/zinc/16/84/99/473168499.db2.gz GRGUBGPCRBAOTP-GWCFXTLKSA-N 1 0 341.249 2.705 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000160734917 473168911 /nfs/dbraw/zinc/16/89/11/473168911.db2.gz GRGUBGPCRBAOTP-GXFFZTMASA-N 1 0 341.249 2.705 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000160743655 473170030 /nfs/dbraw/zinc/17/00/30/473170030.db2.gz QLJYYJDOIJZVRK-OAHLLOKOSA-N 1 0 343.265 2.951 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000160743519 473170038 /nfs/dbraw/zinc/17/00/38/473170038.db2.gz QLJYYJDOIJZVRK-HNNXBMFYSA-N 1 0 343.265 2.951 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2OCc2cscn2)C1 ZINC000160774145 473173354 /nfs/dbraw/zinc/17/33/54/473173354.db2.gz VHBZOHWAMYOOEK-QWHCGFSZSA-N 1 0 331.441 2.722 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccccc2OCc2cscn2)C1 ZINC000160774278 473173939 /nfs/dbraw/zinc/17/39/39/473173939.db2.gz VHBZOHWAMYOOEK-STQMWFEESA-N 1 0 331.441 2.722 20 70 EFIDRO C[C@@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000160807662 473177348 /nfs/dbraw/zinc/17/73/48/473177348.db2.gz DWJAJQGTDHUUBR-OAHLLOKOSA-N 1 0 334.460 2.703 20 70 EFIDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1NC(=O)CC(C)C ZINC000160808285 473177681 /nfs/dbraw/zinc/17/76/81/473177681.db2.gz HVSUDJSNMPRJAE-HOTGVXAUSA-N 1 0 331.460 2.979 20 70 EFIDRO COCCc1nsc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000160843477 473182563 /nfs/dbraw/zinc/18/25/63/473182563.db2.gz JNVDYRSANSANFY-DZGCQCFKSA-N 1 0 332.473 2.802 20 70 EFIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160858759 473183983 /nfs/dbraw/zinc/18/39/83/473183983.db2.gz UKCARCQGZQUQPT-QYZOEREBSA-N 1 0 345.487 2.888 20 70 EFIDRO O=C(NCCCNc1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160879891 473186568 /nfs/dbraw/zinc/18/65/68/473186568.db2.gz GWPJWPAAWSWDSE-QGZVFWFLSA-N 1 0 330.476 2.805 20 70 EFIDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1 ZINC000160884175 473186603 /nfs/dbraw/zinc/18/66/03/473186603.db2.gz WBDFIUNPUASNOM-QWFCFKBJSA-N 1 0 333.472 2.670 20 70 EFIDRO CS[C@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000160902865 473189897 /nfs/dbraw/zinc/18/98/97/473189897.db2.gz IVJHTZWEWCXYSG-KGLIPLIRSA-N 1 0 336.505 2.658 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOc2cccc(Br)c2)C1 ZINC000160942079 473193539 /nfs/dbraw/zinc/19/35/39/473193539.db2.gz JSWAUEDSKZQVQW-QWHCGFSZSA-N 1 0 341.249 2.604 20 70 EFIDRO C[NH+](C)CCNC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000160988712 473197405 /nfs/dbraw/zinc/19/74/05/473197405.db2.gz GUKLUGWUQVWSHX-UHFFFAOYSA-N 1 0 327.432 2.508 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)C1 ZINC000160989561 473197520 /nfs/dbraw/zinc/19/75/20/473197520.db2.gz JYLZXOIXSMQVSZ-CABCVRRESA-N 1 0 341.411 2.639 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000161042387 473201622 /nfs/dbraw/zinc/20/16/22/473201622.db2.gz LEBQDTYOIFQQGL-UHFFFAOYSA-N 1 0 325.434 2.529 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000217268274 520616291 /nfs/dbraw/zinc/61/62/91/520616291.db2.gz IFWAZDPQUMQVIC-UHFFFAOYSA-N 1 0 339.436 2.566 20 70 EFIDRO [NH3+]C1(CNC(=O)COc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000159655565 534536905 /nfs/dbraw/zinc/53/69/05/534536905.db2.gz OSIWJAYFEAVGIP-UHFFFAOYSA-N 1 0 330.350 2.862 20 70 EFIDRO C[C@@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)(C)C[NH+](C)C ZINC000160544666 525239708 /nfs/dbraw/zinc/23/97/08/525239708.db2.gz VHMBQTVFLDPMKI-CYBMUJFWSA-N 1 0 344.463 2.580 20 70 EFIDRO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161145081 527676299 /nfs/dbraw/zinc/67/62/99/527676299.db2.gz WSUXVHQOAOCSFP-ZACQAIPSSA-N 1 0 335.492 2.556 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000159918361 529024254 /nfs/dbraw/zinc/02/42/54/529024254.db2.gz UCTQNODZYPZQRR-CQSZACIVSA-N 1 0 339.867 2.845 20 70 EFIDRO CC(C)[NH+]1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000161110412 529034240 /nfs/dbraw/zinc/03/42/40/529034240.db2.gz SVNFDWAYKKTQMS-UHFFFAOYSA-N 1 0 330.350 2.680 20 70 EFIDRO CC(C)[NH+]1CCN(C(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000160804611 529034962 /nfs/dbraw/zinc/03/49/62/529034962.db2.gz MNXXAAJPWHPWIC-UHFFFAOYSA-N 1 0 344.377 2.723 20 70 EFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)c1cccc(OC)c1 ZINC000160327435 529105101 /nfs/dbraw/zinc/10/51/01/529105101.db2.gz HDCKQMRMTKSGNY-INIZCTEOSA-N 1 0 333.476 2.756 20 70 EFIDRO CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000217139749 536183272 /nfs/dbraw/zinc/18/32/72/536183272.db2.gz LVAXNUZSPUGXDP-ZBFHGGJFSA-N 1 0 335.517 2.610 20 70 EFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(-n3ccnc3C)cc1)CC2 ZINC000160444864 282117173 /nfs/dbraw/zinc/11/71/73/282117173.db2.gz BZGWIVDVWCRSRR-GUYCJALGSA-N 1 0 336.443 2.746 20 70 EFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cc(Br)ccc31)CC2 ZINC000160336928 282127908 /nfs/dbraw/zinc/12/79/08/282127908.db2.gz QFNPNRAYMPCCNP-HIFRSBDPSA-N 1 0 347.260 2.941 20 70 EFIDRO CCc1c(C(=O)NCC2([NH3+])CCCCC2)cnn1-c1ccc(F)cc1 ZINC000159526237 529480765 /nfs/dbraw/zinc/48/07/65/529480765.db2.gz PDZSROPEAPUNFW-UHFFFAOYSA-N 1 0 344.434 2.965 20 70 EFIDRO CN(CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160067766 529871388 /nfs/dbraw/zinc/87/13/88/529871388.db2.gz GMEAYMKXMFOBLZ-CQSZACIVSA-N 1 0 330.259 2.991 20 70 EFIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000159958258 290706933 /nfs/dbraw/zinc/70/69/33/290706933.db2.gz SGDZZQQWTQBWHP-LPHOPBHVSA-N 1 0 326.440 2.916 20 70 EFIDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160456931 529931688 /nfs/dbraw/zinc/93/16/88/529931688.db2.gz PIRORZNEIOCCJQ-GFCCVEGCSA-N 1 0 347.385 2.784 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000161317913 529990321 /nfs/dbraw/zinc/99/03/21/529990321.db2.gz FWRGKNUHPKPXLY-AWEZNQCLSA-N 1 0 333.432 2.697 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2OC)o1 ZINC000161278374 529990484 /nfs/dbraw/zinc/99/04/84/529990484.db2.gz XNXIPDBIUPGUEZ-AWEZNQCLSA-N 1 0 344.411 2.691 20 70 EFIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000160224264 283591835 /nfs/dbraw/zinc/59/18/35/283591835.db2.gz OLDNCNQUYWBCAE-RDBSUJKOSA-N 1 0 327.453 2.906 20 70 EFIDRO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC1([NH3+])CCCCC1 ZINC000159746577 239034475 /nfs/dbraw/zinc/03/44/75/239034475.db2.gz RJGRCVADERUZLL-UHFFFAOYSA-N 1 0 340.471 2.809 20 70 EFIDRO COc1cc2c(cc1CNC(=O)N(CC[NH+](C)C)C(C)C)O[C@H](C)C2 ZINC000159814087 239035262 /nfs/dbraw/zinc/03/52/62/239035262.db2.gz TXVLBDAJGJFGEZ-CQSZACIVSA-N 1 0 349.475 2.500 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)C1 ZINC000160790083 532968539 /nfs/dbraw/zinc/96/85/39/532968539.db2.gz UFJLYUGBTFPMIU-QGZVFWFLSA-N 1 0 336.435 2.968 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000160473728 533030986 /nfs/dbraw/zinc/03/09/86/533030986.db2.gz CIUHCKMAIVFFBX-INIZCTEOSA-N 1 0 340.423 2.986 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2c(C)onc2-c2c(F)cccc2Cl)C1 ZINC000160546955 533037303 /nfs/dbraw/zinc/03/73/03/533037303.db2.gz NVZFSMKHUQFRCD-JTQLQIEISA-N 1 0 337.782 2.876 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2C(=O)c2cc(C)ccc2C)C1 ZINC000160477463 533037645 /nfs/dbraw/zinc/03/76/45/533037645.db2.gz WFZBIEGYLFYCEX-INIZCTEOSA-N 1 0 336.435 2.968 20 70 EFIDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000160843226 285212018 /nfs/dbraw/zinc/21/20/18/285212018.db2.gz PXERMEGIPJZCSJ-ZJUUUORDSA-N 1 0 330.222 2.906 20 70 EFIDRO COCCC1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CCC1 ZINC000159648982 533181838 /nfs/dbraw/zinc/18/18/38/533181838.db2.gz VLRPPLUXTNYUTN-QGZVFWFLSA-N 1 0 334.460 2.621 20 70 EFIDRO COc1ccc([C@H](C[NH2+][C@@H](C)CC2CC2)N2CCOCC2)cc1OC ZINC000160351580 533184340 /nfs/dbraw/zinc/18/43/40/533184340.db2.gz SRJWUZKBJQZVBV-YJBOKZPZSA-N 1 0 348.487 2.855 20 70 EFIDRO COc1ccc(-c2nc(C)c(C(=O)NCC(C)(C)[NH3+])s2)cc1OC ZINC000160058554 533192242 /nfs/dbraw/zinc/19/22/42/533192242.db2.gz ULRHWASCEKSMBS-UHFFFAOYSA-N 1 0 349.456 2.603 20 70 EFIDRO COc1ccc(C)nc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000160466405 258070491 /nfs/dbraw/zinc/07/04/91/258070491.db2.gz QLBCEYQSXXPFRK-OAHLLOKOSA-N 1 0 332.448 2.738 20 70 EFIDRO COc1ccc(C(=O)CCC(=O)NCC2([NH3+])CCCCC2)cc1F ZINC000159500877 533275270 /nfs/dbraw/zinc/27/52/70/533275270.db2.gz TZZFIDPSSYNLSQ-UHFFFAOYSA-N 1 0 336.407 2.575 20 70 EFIDRO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159864031 533285462 /nfs/dbraw/zinc/28/54/62/533285462.db2.gz GBNODRSOERVQEP-AWEZNQCLSA-N 1 0 331.485 2.951 20 70 EFIDRO COc1cccc(C(C)(C)CNC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000159446981 533421944 /nfs/dbraw/zinc/42/19/44/533421944.db2.gz IIQUFYJXMWFOAR-UHFFFAOYSA-N 1 0 333.476 2.614 20 70 EFIDRO COc1cccc(CO[C@@H](C)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159800511 533526808 /nfs/dbraw/zinc/52/68/08/533526808.db2.gz ABGOSHLPSDCZPK-HNNXBMFYSA-N 1 0 346.471 2.591 20 70 EFIDRO COc1cc(/C=C/C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000159370471 533464264 /nfs/dbraw/zinc/46/42/64/533464264.db2.gz VLPAVAWRMTZLIF-CYXJOQHWSA-N 1 0 344.455 2.708 20 70 EFIDRO COc1ccc(C[N@H+](C)Cc2ccccc2OCC(=O)N(C)C)cc1 ZINC000159862855 533543812 /nfs/dbraw/zinc/54/38/12/533543812.db2.gz XHYPHWPGILDAIQ-UHFFFAOYSA-N 1 0 342.439 2.794 20 70 EFIDRO COCCN(C)CC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000159381323 225206494 /nfs/dbraw/zinc/20/64/94/225206494.db2.gz AXBWQEWKVDPPNH-CYBMUJFWSA-N 1 0 334.489 2.742 20 70 EFIDRO NC(=O)CC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000159740426 225269044 /nfs/dbraw/zinc/26/90/44/225269044.db2.gz NWJBKRBPTZQSEQ-UHFFFAOYSA-N 1 0 332.835 2.613 20 70 EFIDRO Cc1cc(=O)oc2cc(OCC[N@@H+](C)C[C@@H]3CCC[C@@H]3O)ccc12 ZINC000159743665 225269156 /nfs/dbraw/zinc/26/91/56/225269156.db2.gz ABSNCZPKPMNWOI-YOEHRIQHSA-N 1 0 331.412 2.573 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCC(C)(C)CO ZINC000159743870 225269309 /nfs/dbraw/zinc/26/93/09/225269309.db2.gz MKJDWJCMQXQDKL-WMZOPIPTSA-N 1 0 347.503 2.605 20 70 EFIDRO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159804771 225281915 /nfs/dbraw/zinc/28/19/15/225281915.db2.gz SLUPCIQTKLCXEF-GJYPPUQNSA-N 1 0 345.487 2.707 20 70 EFIDRO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCCO2)[NH+]2CCCC2)cc1 ZINC000159848210 225290693 /nfs/dbraw/zinc/29/06/93/225290693.db2.gz FFPAISQBYKDNLY-MSOLQXFVSA-N 1 0 332.444 2.517 20 70 EFIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159601034 225247402 /nfs/dbraw/zinc/24/74/02/225247402.db2.gz HQPDOKVBANWLOH-IUODEOHRSA-N 1 0 328.503 2.994 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000160242822 225369785 /nfs/dbraw/zinc/36/97/85/225369785.db2.gz LCFVENDGFCCOLP-CYBMUJFWSA-N 1 0 344.440 2.955 20 70 EFIDRO CN(C(=O)c1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1)c1ccccc1 ZINC000160260041 225373778 /nfs/dbraw/zinc/37/37/78/225373778.db2.gz XLSYCMCKEPWOPI-SFHVURJKSA-N 1 0 337.423 2.527 20 70 EFIDRO Cc1nc(COc2cccc(/C=C/C(=O)N3CC[C@@H]([NH3+])C3)c2)cs1 ZINC000160314892 225386990 /nfs/dbraw/zinc/38/69/90/225386990.db2.gz GYNNZOQXOVFSGY-LLYBFZRZSA-N 1 0 343.452 2.603 20 70 EFIDRO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160351952 225394866 /nfs/dbraw/zinc/39/48/66/225394866.db2.gz GIQFMYKBKUSYOQ-UHFFFAOYSA-N 1 0 347.385 2.879 20 70 EFIDRO O=C(NCC1(c2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000160051537 225326669 /nfs/dbraw/zinc/32/66/69/225326669.db2.gz ZKBFRIMFAVYPNW-LBPRGKRZSA-N 1 0 337.261 2.597 20 70 EFIDRO O=C(CCc1ccc2ccccc2c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160047715 225326917 /nfs/dbraw/zinc/32/69/17/225326917.db2.gz PYBBXWVSZYOHTO-HXUWFJFHSA-N 1 0 340.467 2.735 20 70 EFIDRO Cc1cc(-c2cc(C(=O)NCCC[NH3+])c3c(C)noc3n2)c(C)s1 ZINC000160095513 225337238 /nfs/dbraw/zinc/33/72/38/225337238.db2.gz CLHSYFQZOBHHHD-UHFFFAOYSA-N 1 0 344.440 2.955 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000160107174 225338707 /nfs/dbraw/zinc/33/87/07/225338707.db2.gz UQWURTGTVAGDMJ-HNNXBMFYSA-N 1 0 340.464 2.773 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000160118107 225341424 /nfs/dbraw/zinc/34/14/24/225341424.db2.gz PROCBXIHMRSGLR-OAHLLOKOSA-N 1 0 340.464 2.773 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000160117985 225341463 /nfs/dbraw/zinc/34/14/63/225341463.db2.gz PROCBXIHMRSGLR-HNNXBMFYSA-N 1 0 340.464 2.773 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000160126428 225343538 /nfs/dbraw/zinc/34/35/38/225343538.db2.gz BBWYJLITCHSVNG-KRWDZBQOSA-N 1 0 336.501 2.942 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000160184337 225356972 /nfs/dbraw/zinc/35/69/72/225356972.db2.gz PNEKUFZXBZYDDM-CHWSQXEVSA-N 1 0 342.892 2.899 20 70 EFIDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCOC1 ZINC000160201788 225360372 /nfs/dbraw/zinc/36/03/72/225360372.db2.gz HLQQWKMSECTLBL-FIXISWKDSA-N 1 0 326.799 2.599 20 70 EFIDRO FC(F)c1nnc2ccc(N3CCC[C@H]3C[NH+]3CCCCC3)nn21 ZINC000160454717 225420027 /nfs/dbraw/zinc/42/00/27/225420027.db2.gz VBOUKJNVCZNISN-LBPRGKRZSA-N 1 0 336.390 2.517 20 70 EFIDRO CC[C@@H]([NH2+]Cc1ccnn1CC)c1ccccc1OCC(=O)N(C)C ZINC000160045561 544801602 /nfs/dbraw/zinc/80/16/02/544801602.db2.gz XYPZGKHLGWLMCB-QGZVFWFLSA-N 1 0 344.459 2.611 20 70 EFIDRO C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000160116715 544802724 /nfs/dbraw/zinc/80/27/24/544802724.db2.gz OMTFPKNKTLGTSC-RISCZKNCSA-N 1 0 345.365 2.632 20 70 EFIDRO O=C(CCc1ccccc1F)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160533497 544806527 /nfs/dbraw/zinc/80/65/27/544806527.db2.gz DSYSSFAZOVEESM-MOPGFXCFSA-N 1 0 348.462 2.642 20 70 EFIDRO CCC[NH+]1CCC(N[C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000160649545 544807178 /nfs/dbraw/zinc/80/71/78/544807178.db2.gz UCUIDNRIXJCPNF-IBGZPJMESA-N 1 0 329.488 2.814 20 70 EFIDRO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160750713 544807810 /nfs/dbraw/zinc/80/78/10/544807810.db2.gz HOKYXUNBYPUCFV-YGRLFVJLSA-N 1 0 330.350 2.735 20 70 EFIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000160624954 544807995 /nfs/dbraw/zinc/80/79/95/544807995.db2.gz OZTWQMDCSLAMAJ-LMMKCTJWSA-N 1 0 347.503 2.828 20 70 EFIDRO Cc1ccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000161294587 544810884 /nfs/dbraw/zinc/81/08/84/544810884.db2.gz XQIMIRDLYZXMNL-UHFFFAOYSA-N 1 0 344.846 2.804 20 70 EFIDRO C[NH+]1CCN(c2ncccc2CNC(=O)C(C)(C)C2CCCC2)CC1 ZINC000161304319 544812427 /nfs/dbraw/zinc/81/24/27/544812427.db2.gz QEDWAKCSCVVPLP-UHFFFAOYSA-N 1 0 344.503 2.666 20 70 EFIDRO C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161381585 544813765 /nfs/dbraw/zinc/81/37/65/544813765.db2.gz HWYAMYWCORFWHJ-ZDUSSCGKSA-N 1 0 346.381 2.509 20 70 EFIDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)(C)C ZINC000160625211 264741129 /nfs/dbraw/zinc/74/11/29/264741129.db2.gz QCVYWXKAVROTAL-NSHDSACASA-N 1 0 349.401 2.933 20 70 EFIDRO COc1ccccc1[C@@H](N)C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000160377753 273022059 /nfs/dbraw/zinc/02/20/59/273022059.db2.gz YYSSKORNOVOJFN-IFXJQAMLSA-N 1 0 340.423 2.720 20 70 EFIDRO COc1ccccc1[C@H](N)C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000160377957 273022067 /nfs/dbraw/zinc/02/20/67/273022067.db2.gz YYSSKORNOVOJFN-LIRRHRJNSA-N 1 0 340.423 2.720 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000159838030 276508051 /nfs/dbraw/zinc/50/80/51/276508051.db2.gz PFWALZPAKUIDHR-OFQRWUPVSA-N 1 0 336.501 2.756 20 70 EFIDRO CC(C)Sc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160347995 277711682 /nfs/dbraw/zinc/71/16/82/277711682.db2.gz VVOIPPSASLEFGR-OAHLLOKOSA-N 1 0 336.501 2.764 20 70 EFIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000161372035 278088394 /nfs/dbraw/zinc/08/83/94/278088394.db2.gz DVFWJOBSLMHASM-UHFFFAOYSA-N 1 0 343.515 2.860 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000161210513 278088516 /nfs/dbraw/zinc/08/85/16/278088516.db2.gz RRJFPMCQWXYKPO-MHJFOBGBSA-N 1 0 329.488 2.860 20 70 EFIDRO C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)N1CCc2ccccc2C1 ZINC000161390109 278282392 /nfs/dbraw/zinc/28/23/92/278282392.db2.gz WBHLVXSZKOAATA-INIZCTEOSA-N 1 0 330.472 2.709 20 70 EFIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161059008 279056715 /nfs/dbraw/zinc/05/67/15/279056715.db2.gz HOXMXIFFXHHXDM-HZPDHXFCSA-N 1 0 331.460 2.608 20 70 EFIDRO CC[C@H](Sc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160058543 288150020 /nfs/dbraw/zinc/15/00/20/288150020.db2.gz GBSIACFRNKTJAS-WBVHZDCISA-N 1 0 336.501 2.520 20 70 EFIDRO [NH3+]C1(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)CCCCC1 ZINC000159674085 303359137 /nfs/dbraw/zinc/35/91/37/303359137.db2.gz VGQWYERJPDXEBP-QGZVFWFLSA-N 1 0 347.528 2.554 20 70 EFIDRO [NH3+]CC1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCC1 ZINC000159496109 303368744 /nfs/dbraw/zinc/36/87/44/303368744.db2.gz DQCTXVRYMNKWAO-UHFFFAOYSA-N 1 0 332.288 2.849 20 70 EFIDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(OC)c1OC ZINC000159489886 533695650 /nfs/dbraw/zinc/69/56/50/533695650.db2.gz AWZFJHNYMCDFPY-VHSSKADRSA-N 1 0 333.428 2.760 20 70 EFIDRO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000160256483 310696699 /nfs/dbraw/zinc/69/66/99/310696699.db2.gz HVCSNTCAAMUOOL-UHFFFAOYSA-N 1 0 341.503 2.694 20 70 EFIDRO CC[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(F)cc1F ZINC000160927779 310704216 /nfs/dbraw/zinc/70/42/16/310704216.db2.gz DHIVRBPJYCRHDX-CQSZACIVSA-N 1 0 339.386 2.726 20 70 EFIDRO C[NH+](C)CCN(C(=O)NCCOc1cccc(F)c1)C1CCCC1 ZINC000160966145 310704538 /nfs/dbraw/zinc/70/45/38/310704538.db2.gz LSQNLWGFLKVPLJ-UHFFFAOYSA-N 1 0 337.439 2.720 20 70 EFIDRO CC(C)[NH+](CCNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)C(C)C ZINC000161021351 310705004 /nfs/dbraw/zinc/70/50/04/310705004.db2.gz WJGDOQBLKHUXGE-CQSZACIVSA-N 1 0 349.479 2.656 20 70 EFIDRO COc1ccc(Br)cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000161156047 310706545 /nfs/dbraw/zinc/70/65/45/310706545.db2.gz NJOSVCSFWWUHPC-CYBMUJFWSA-N 1 0 341.249 2.528 20 70 EFIDRO CCCC(=O)Nc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161301063 310708124 /nfs/dbraw/zinc/70/81/24/310708124.db2.gz NXRQFFWSKDNPSX-UHFFFAOYSA-N 1 0 331.460 2.962 20 70 EFIDRO COCC[NH+]1CCC(NC(=O)c2occc2-c2ccc(F)cc2)CC1 ZINC000161349147 310708488 /nfs/dbraw/zinc/70/84/88/310708488.db2.gz DCICVLJBGMMJAQ-UHFFFAOYSA-N 1 0 346.402 2.926 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1 ZINC000161094452 473206131 /nfs/dbraw/zinc/20/61/31/473206131.db2.gz NFBKTRHGYUPYFP-UHFFFAOYSA-N 1 0 330.407 2.678 20 70 EFIDRO Cn1cnc2cc(C(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)cnc21 ZINC000161099844 473206291 /nfs/dbraw/zinc/20/62/91/473206291.db2.gz BEAFUVMCKSPQLK-UHFFFAOYSA-N 1 0 349.438 2.857 20 70 EFIDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 ZINC000161099065 473206346 /nfs/dbraw/zinc/20/63/46/473206346.db2.gz YYRSSMAXLSHFRC-JTQLQIEISA-N 1 0 329.213 2.789 20 70 EFIDRO COCCC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000161121021 473209046 /nfs/dbraw/zinc/20/90/46/473209046.db2.gz OCVWZDVYYDWDGF-HNNXBMFYSA-N 1 0 336.501 2.893 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@@H](C)[C@H]2C)c1 ZINC000161121929 473209677 /nfs/dbraw/zinc/20/96/77/473209677.db2.gz MCGFSOOHRRFNAD-CVEARBPZSA-N 1 0 333.476 2.847 20 70 EFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCO[C@@H](c2cccs2)C1 ZINC000161126532 473210230 /nfs/dbraw/zinc/21/02/30/473210230.db2.gz MLSZUHLVJCXOAC-GDBMZVCRSA-N 1 0 349.500 2.848 20 70 EFIDRO COC[C@H](NC(=O)CC[NH2+]C(C)C)c1cccc(C(F)(F)F)c1 ZINC000161144402 473211499 /nfs/dbraw/zinc/21/14/99/473211499.db2.gz RCDICBFCWSAMBL-AWEZNQCLSA-N 1 0 332.366 2.897 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000161174431 473214122 /nfs/dbraw/zinc/21/41/22/473214122.db2.gz NTSLMJLFYSJONY-AWEZNQCLSA-N 1 0 335.423 2.634 20 70 EFIDRO CC(C)(CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1cccc(F)c1 ZINC000161197341 473217153 /nfs/dbraw/zinc/21/71/53/473217153.db2.gz QRMGNNNVBKVSMR-GOSISDBHSA-N 1 0 326.415 2.934 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000161251467 473220714 /nfs/dbraw/zinc/22/07/14/473220714.db2.gz DCCJADJNNRSUQV-MRXNPFEDSA-N 1 0 334.460 2.544 20 70 EFIDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000161217579 473218374 /nfs/dbraw/zinc/21/83/74/473218374.db2.gz UCKUPKWQCSAKGJ-SZMVWBNQSA-N 1 0 347.503 2.918 20 70 EFIDRO CCOCCN(CC)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161221133 473219401 /nfs/dbraw/zinc/21/94/01/473219401.db2.gz KQPNCXKLQSRDOU-MRXNPFEDSA-N 1 0 348.491 2.675 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000161248192 473219589 /nfs/dbraw/zinc/21/95/89/473219589.db2.gz HDYAGUWWPPBDIW-CYBMUJFWSA-N 1 0 331.391 2.624 20 70 EFIDRO CN(C(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000161240489 473219997 /nfs/dbraw/zinc/21/99/97/473219997.db2.gz DVRLXFXJUABCIM-UHFFFAOYSA-N 1 0 326.444 2.562 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000161248112 473220112 /nfs/dbraw/zinc/22/01/12/473220112.db2.gz HDYAGUWWPPBDIW-ZDUSSCGKSA-N 1 0 331.391 2.624 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000161273012 473222410 /nfs/dbraw/zinc/22/24/10/473222410.db2.gz MSBWYTCGTUOAPO-UHFFFAOYSA-N 1 0 330.432 2.703 20 70 EFIDRO CCCCNC(=O)c1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161286173 473223911 /nfs/dbraw/zinc/22/39/11/473223911.db2.gz XLUPFPGOFJGLEU-UHFFFAOYSA-N 1 0 345.487 2.753 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000161286407 473224135 /nfs/dbraw/zinc/22/41/35/473224135.db2.gz SGBACHKMPSLMHX-UHFFFAOYSA-N 1 0 344.459 2.550 20 70 EFIDRO Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)c(Br)n1 ZINC000161295737 473224519 /nfs/dbraw/zinc/22/45/19/473224519.db2.gz SDCHQFGLDPQFFN-UHFFFAOYSA-N 1 0 338.249 2.509 20 70 EFIDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000161295111 473224634 /nfs/dbraw/zinc/22/46/34/473224634.db2.gz WXAKKPOCHIKNIE-UHFFFAOYSA-N 1 0 344.846 2.833 20 70 EFIDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+]2CCCC2)cc1 ZINC000161314809 473225429 /nfs/dbraw/zinc/22/54/29/473225429.db2.gz LWWJKEJOLSMXJL-ICSRJNTNSA-N 1 0 345.487 2.688 20 70 EFIDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161315233 473225959 /nfs/dbraw/zinc/22/59/59/473225959.db2.gz FWVJTFGNRLGOMJ-FQEVSTJZSA-N 1 0 340.471 2.554 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1ccccc1OC(F)(F)F ZINC000161319532 473226167 /nfs/dbraw/zinc/22/61/67/473226167.db2.gz HKVILDUDKUAJMM-ZDUSSCGKSA-N 1 0 330.350 2.728 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1ccc(Br)cc1 ZINC000161324243 473226302 /nfs/dbraw/zinc/22/63/02/473226302.db2.gz RWVZNQKLWUEAJH-CQSZACIVSA-N 1 0 325.250 2.592 20 70 EFIDRO COc1cc(F)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000161322664 473226936 /nfs/dbraw/zinc/22/69/36/473226936.db2.gz SELCPWPXNGFLOF-MRXNPFEDSA-N 1 0 346.402 2.876 20 70 EFIDRO CCOCCC1(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000161342352 473228033 /nfs/dbraw/zinc/22/80/33/473228033.db2.gz KTPCENDISYWKKA-KRWDZBQOSA-N 1 0 339.524 2.860 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000161341039 473228218 /nfs/dbraw/zinc/22/82/18/473228218.db2.gz DFLSQEFJHNBIBO-OAHLLOKOSA-N 1 0 343.452 2.824 20 70 EFIDRO COCC[NH+]1CCC(NC(=O)c2c(C)[nH]c3ccc(Cl)cc32)CC1 ZINC000161347675 473228639 /nfs/dbraw/zinc/22/86/39/473228639.db2.gz DOGWJHDDLWADRD-UHFFFAOYSA-N 1 0 349.862 2.970 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000161340932 473228851 /nfs/dbraw/zinc/22/88/51/473228851.db2.gz DFLSQEFJHNBIBO-HNNXBMFYSA-N 1 0 343.452 2.824 20 70 EFIDRO CCCCOc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000161353578 473229670 /nfs/dbraw/zinc/22/96/70/473229670.db2.gz MTRJRWLEPNWVSM-LJQANCHMSA-N 1 0 334.460 2.880 20 70 EFIDRO Cc1sc2nc(CN3CC[NH+](C4CCCC4)CC3)[nH]c(=O)c2c1C ZINC000161373521 473230728 /nfs/dbraw/zinc/23/07/28/473230728.db2.gz WVGKJBVSXLJNNQ-UHFFFAOYSA-N 1 0 346.500 2.662 20 70 EFIDRO CCCOc1cccc(CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000161373032 473231279 /nfs/dbraw/zinc/23/12/79/473231279.db2.gz JYXJYEJZJIXODA-IRXDYDNUSA-N 1 0 348.487 2.633 20 70 EFIDRO O=C(Nc1ccc(F)c(Br)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000161385198 473231289 /nfs/dbraw/zinc/23/12/89/473231289.db2.gz ZHOXDQWOBBCEDU-JTQLQIEISA-N 1 0 327.197 2.916 20 70 EFIDRO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC000161402761 473232468 /nfs/dbraw/zinc/23/24/68/473232468.db2.gz LAWBCYVMTMDSON-WMZOPIPTSA-N 1 0 332.444 2.517 20 70 EFIDRO Cc1noc(-c2ccccc2C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000161406718 473232699 /nfs/dbraw/zinc/23/26/99/473232699.db2.gz VMOIMSOQEMOQIE-LRDDRELGSA-N 1 0 328.416 2.504 20 70 EFIDRO COc1cccc([C@@H](CNC(=O)[C@@H]2CCCCO2)[NH+]2CCCC2)c1 ZINC000161418169 473234694 /nfs/dbraw/zinc/23/46/94/473234694.db2.gz DJZFNKKWHBWCBL-MSOLQXFVSA-N 1 0 332.444 2.517 20 70 EFIDRO COc1cccc([C@H](CNC(=O)[C@H]2CCCCO2)[NH+]2CCCC2)c1 ZINC000161418575 473235019 /nfs/dbraw/zinc/23/50/19/473235019.db2.gz DJZFNKKWHBWCBL-ZWKOTPCHSA-N 1 0 332.444 2.517 20 70 EFIDRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000161432194 473235093 /nfs/dbraw/zinc/23/50/93/473235093.db2.gz ZSHAIICNTFDCCC-WBVHZDCISA-N 1 0 346.471 2.704 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(OCc3cscn3)c2)C1 ZINC000161435066 473235586 /nfs/dbraw/zinc/23/55/86/473235586.db2.gz FMTVREACHZWJTL-ZIAGYGMSSA-N 1 0 331.441 2.722 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000161440214 473235623 /nfs/dbraw/zinc/23/56/23/473235623.db2.gz ZAQFHGOLPDDASS-SJORKVTESA-N 1 0 325.412 2.660 20 70 EFIDRO COc1ccc(-c2nc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000161433948 473235733 /nfs/dbraw/zinc/23/57/33/473235733.db2.gz MLSOOCBFAYCDCV-QWHCGFSZSA-N 1 0 331.441 2.818 20 70 EFIDRO Cc1csc(N2CCC([NH2+]C[C@@H](CO)c3ccccc3)CC2)n1 ZINC000161442563 473235888 /nfs/dbraw/zinc/23/58/88/473235888.db2.gz YEUFJHXOWBMLAL-INIZCTEOSA-N 1 0 331.485 2.786 20 70 EFIDRO C[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)C(C)(C)C[NH+](C)C ZINC000161451280 473236141 /nfs/dbraw/zinc/23/61/41/473236141.db2.gz JFFUZPAJXKYQKC-CYBMUJFWSA-N 1 0 344.463 2.580 20 70 EFIDRO Cc1c([C@H](C)NC2CC[NH+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000161486487 473238626 /nfs/dbraw/zinc/23/86/26/473238626.db2.gz YOPDVMPVTPGBME-LBPRGKRZSA-N 1 0 333.867 2.974 20 70 EFIDRO CC(C)(C)[C@H](CCO)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000161482843 473238736 /nfs/dbraw/zinc/23/87/36/473238736.db2.gz CSBFNKKKOHGYMU-SFHVURJKSA-N 1 0 347.503 2.879 20 70 EFIDRO C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161486595 473239054 /nfs/dbraw/zinc/23/90/54/473239054.db2.gz YLRITUDKMCFKNC-MRXNPFEDSA-N 1 0 337.467 2.929 20 70 EFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)NO[C@@H]2CCCCO2)cc1 ZINC000161501001 473239788 /nfs/dbraw/zinc/23/97/88/473239788.db2.gz AWGQXLZKBZVESI-QGZVFWFLSA-N 1 0 335.448 2.786 20 70 EFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)NO[C@H]2CCCCO2)cc1 ZINC000161501134 473239811 /nfs/dbraw/zinc/23/98/11/473239811.db2.gz AWGQXLZKBZVESI-KRWDZBQOSA-N 1 0 335.448 2.786 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161503719 473240385 /nfs/dbraw/zinc/24/03/85/473240385.db2.gz SGOUHSXUKXUKRI-HNONPPJISA-N 1 0 330.428 2.714 20 70 EFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NO[C@@H]1CCCCO1 ZINC000161506545 473240928 /nfs/dbraw/zinc/24/09/28/473240928.db2.gz MKTWHPQLKWVGHR-QGZVFWFLSA-N 1 0 335.448 2.786 20 70 EFIDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCCO1 ZINC000161475274 473238122 /nfs/dbraw/zinc/23/81/22/473238122.db2.gz YMDVUGMKXDAHPJ-KRWDZBQOSA-N 1 0 336.863 2.990 20 70 EFIDRO C[C@H](c1ccccc1Cl)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159370671 473022360 /nfs/dbraw/zinc/02/23/60/473022360.db2.gz BYRUMAYWSZSGNE-CXAGYDPISA-N 1 0 335.879 2.815 20 70 EFIDRO O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccn1C1CC[NH2+]CC1 ZINC000159381963 473023082 /nfs/dbraw/zinc/02/30/82/473023082.db2.gz CLHQHJHKCQFRBW-CZUORRHYSA-N 1 0 345.393 2.977 20 70 EFIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)CC1 ZINC000159556972 473038367 /nfs/dbraw/zinc/03/83/67/473038367.db2.gz WZMSBEGLVNQAQA-CABCVRRESA-N 1 0 338.398 2.944 20 70 EFIDRO CC(=O)N(c1nc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1)C1CC1 ZINC000159576252 473040530 /nfs/dbraw/zinc/04/05/30/473040530.db2.gz ZBCZICGJJKDHON-OAGGEKHMSA-N 1 0 347.484 2.706 20 70 EFIDRO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCOCC2CC2)CC1 ZINC000159580315 473041643 /nfs/dbraw/zinc/04/16/43/473041643.db2.gz AYELLVLUETZPEW-UHFFFAOYSA-N 1 0 336.863 2.915 20 70 EFIDRO Cc1ccc(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000159636054 473046960 /nfs/dbraw/zinc/04/69/60/473046960.db2.gz PHHAKDJJVJVTLX-SFHVURJKSA-N 1 0 330.476 2.592 20 70 EFIDRO C[C@@H]1CC(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000159649338 473048067 /nfs/dbraw/zinc/04/80/67/473048067.db2.gz FRMUYTSCTJHDJQ-ZIAGYGMSSA-N 1 0 337.439 2.513 20 70 EFIDRO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159653530 473048493 /nfs/dbraw/zinc/04/84/93/473048493.db2.gz JWRFMEOTEIPQGJ-YOEHRIQHSA-N 1 0 330.428 2.985 20 70 EFIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000159663766 473049447 /nfs/dbraw/zinc/04/94/47/473049447.db2.gz VGVHTFXUNAOGKH-HOTGVXAUSA-N 1 0 333.480 2.877 20 70 EFIDRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000159664199 473050117 /nfs/dbraw/zinc/05/01/17/473050117.db2.gz GJZDSFDBCDDUQQ-QZTJIDSGSA-N 1 0 331.460 2.548 20 70 EFIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159685986 473050606 /nfs/dbraw/zinc/05/06/06/473050606.db2.gz LZGCEWKJDMQSDD-JYJNAYRXSA-N 1 0 326.481 2.726 20 70 EFIDRO COc1ccc(C(=O)NCC2([NH3+])CCCCC2)c(Br)c1 ZINC000159679038 473051093 /nfs/dbraw/zinc/05/10/93/473051093.db2.gz GNIJPMMYUFALHT-UHFFFAOYSA-N 1 0 341.249 2.849 20 70 EFIDRO Cc1cc(C)nc(SCC(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000159701874 473052214 /nfs/dbraw/zinc/05/22/14/473052214.db2.gz ZBJFMPTYJPTYFW-UHFFFAOYSA-N 1 0 336.505 2.614 20 70 EFIDRO [NH3+][C@H](CCC(=O)Nc1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000159691595 473052322 /nfs/dbraw/zinc/05/23/22/473052322.db2.gz JYYCYFWTAHCHGF-CYBMUJFWSA-N 1 0 326.322 2.864 20 70 EFIDRO O=C(CSC[C@H]1CCCCO1)NCC[NH2+]C1CCCCCC1 ZINC000159695019 473052789 /nfs/dbraw/zinc/05/27/89/473052789.db2.gz DSZVZYFMOQHYSF-MRXNPFEDSA-N 1 0 328.522 2.717 20 70 EFIDRO C[N@@H+](Cc1cc2c(cc1Br)OCO2)C[C@H]1CCC[C@@H]1O ZINC000159725548 473055053 /nfs/dbraw/zinc/05/50/53/473055053.db2.gz VVWDPSJECUHEPB-MFKMUULPSA-N 1 0 342.233 2.771 20 70 EFIDRO C[NH2+]CC(=O)N(Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000159739160 473056132 /nfs/dbraw/zinc/05/61/32/473056132.db2.gz CFEAXZSEYJXEOI-SFHVURJKSA-N 1 0 340.423 2.767 20 70 EFIDRO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159759936 473057547 /nfs/dbraw/zinc/05/75/47/473057547.db2.gz HPTCUAVOGJRIIP-GFCCVEGCSA-N 1 0 338.398 2.723 20 70 EFIDRO Cc1cnn(-c2ccc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cc2)c1 ZINC000159778517 473061045 /nfs/dbraw/zinc/06/10/45/473061045.db2.gz CZLWDHWGNVMZAL-UHFFFAOYSA-N 1 0 338.455 2.785 20 70 EFIDRO CCOC(=O)C1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000159821209 473063496 /nfs/dbraw/zinc/06/34/96/473063496.db2.gz NVSUHPSUWKNCGS-INIZCTEOSA-N 1 0 346.471 2.747 20 70 EFIDRO CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000159812148 473063748 /nfs/dbraw/zinc/06/37/48/473063748.db2.gz QYUXDBVGWLBTOS-MRXNPFEDSA-N 1 0 333.476 2.926 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2nc(C(C)(C)C)cs2)CC1 ZINC000159825438 473064521 /nfs/dbraw/zinc/06/45/21/473064521.db2.gz FDPPWQDWRWMGIF-UHFFFAOYSA-N 1 0 338.521 2.720 20 70 EFIDRO CCC(=O)N[C@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159940559 473074522 /nfs/dbraw/zinc/07/45/22/473074522.db2.gz LMJAGLPPFPERMW-ZDUSSCGKSA-N 1 0 331.391 2.971 20 70 EFIDRO Cc1cnccc1CCNC(=O)N[C@@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000159937405 473074888 /nfs/dbraw/zinc/07/48/88/473074888.db2.gz VSMMZIZYHLUJMX-ZOBUZTSGSA-N 1 0 332.492 2.598 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)cc1 ZINC000159948707 473075054 /nfs/dbraw/zinc/07/50/54/473075054.db2.gz WWLCKPSVDIGKRX-UHFFFAOYSA-N 1 0 348.450 2.923 20 70 EFIDRO CC(C)c1ccc(CC2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000159956907 473075625 /nfs/dbraw/zinc/07/56/25/473075625.db2.gz HZBMMIRGLVELRC-CQSZACIVSA-N 1 0 331.460 2.648 20 70 EFIDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)C(C)C)CC2)c(OC)c1 ZINC000159983642 473078175 /nfs/dbraw/zinc/07/81/75/473078175.db2.gz BFHZTMPQBLTRQS-CQSZACIVSA-N 1 0 334.460 2.943 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)NCCOc2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000159999836 473079710 /nfs/dbraw/zinc/07/97/10/473079710.db2.gz WEQVMZZNBJZZLC-QWHCGFSZSA-N 1 0 337.851 2.643 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)NCCOc2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000159999700 473079983 /nfs/dbraw/zinc/07/99/83/473079983.db2.gz WEQVMZZNBJZZLC-CHWSQXEVSA-N 1 0 337.851 2.643 20 70 EFIDRO CCCn1c(C)nnc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160092500 473086799 /nfs/dbraw/zinc/08/67/99/473086799.db2.gz XVHKENMYUWEMNT-LJQANCHMSA-N 1 0 341.503 2.950 20 70 EFIDRO COc1ccc2nc(C3CC3)cc(C(=O)NC[C@H]3CC[N@H+](C)C3)c2c1 ZINC000160100027 473086990 /nfs/dbraw/zinc/08/69/90/473086990.db2.gz LNABYTHVUUKVQX-CYBMUJFWSA-N 1 0 339.439 2.802 20 70 EFIDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000160105306 473088733 /nfs/dbraw/zinc/08/87/33/473088733.db2.gz GEVGDDLHLXAZLO-CYBMUJFWSA-N 1 0 344.846 2.787 20 70 EFIDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2nnnn2-c2ccccc2)C[C@@H]1OC ZINC000160120894 473090253 /nfs/dbraw/zinc/09/02/53/473090253.db2.gz AWBNBGUWLCOZCF-IMJJTQAJSA-N 1 0 329.448 2.907 20 70 EFIDRO C[N@H+](CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C1CCCC1 ZINC000160167593 473092114 /nfs/dbraw/zinc/09/21/14/473092114.db2.gz JUXHSHMBKAIWHY-GOSISDBHSA-N 1 0 347.459 2.850 20 70 EFIDRO Cc1ccc(O)c(CNc2ccc(OC3CC[NH+](C)CC3)nc2)n1 ZINC000160159734 473092326 /nfs/dbraw/zinc/09/23/26/473092326.db2.gz YVEFFFDBMMGVED-UHFFFAOYSA-N 1 0 328.416 2.576 20 70 EFIDRO C[NH+](C)CCOc1cc(CNc2nc(C(C)(C)C)ns2)ccn1 ZINC000160157991 473092637 /nfs/dbraw/zinc/09/26/37/473092637.db2.gz LIZBJLYTLVXZPY-UHFFFAOYSA-N 1 0 335.477 2.783 20 70 EFIDRO C[N@H+](CCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CCCC1 ZINC000160167720 473093025 /nfs/dbraw/zinc/09/30/25/473093025.db2.gz JUXHSHMBKAIWHY-SFHVURJKSA-N 1 0 347.459 2.850 20 70 EFIDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160176832 473094081 /nfs/dbraw/zinc/09/40/81/473094081.db2.gz KOPPBNJQXSEFJX-KRWDZBQOSA-N 1 0 336.501 2.888 20 70 EFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160189867 473095017 /nfs/dbraw/zinc/09/50/17/473095017.db2.gz CHKUVBSQMWPMEF-WBMJQRKESA-N 1 0 337.489 2.735 20 70 EFIDRO COCCC1(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000160199428 473096424 /nfs/dbraw/zinc/09/64/24/473096424.db2.gz IEKIRHPYYUEGFE-CVEARBPZSA-N 1 0 325.497 2.613 20 70 EFIDRO CCc1ccc([C@@H](CO)NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160247226 473100423 /nfs/dbraw/zinc/10/04/23/473100423.db2.gz ZIXUKIYJAWTAKR-RTBURBONSA-N 1 0 347.503 2.702 20 70 EFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000160248158 473100960 /nfs/dbraw/zinc/10/09/60/473100960.db2.gz PQBYJGACNJXUOD-XJKSGUPXSA-N 1 0 336.480 2.672 20 70 EFIDRO CCC[C@H]1CN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000160269847 473103195 /nfs/dbraw/zinc/10/31/95/473103195.db2.gz VYPKYIFCDFVGFB-IRXDYDNUSA-N 1 0 325.497 2.709 20 70 EFIDRO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160316577 473107185 /nfs/dbraw/zinc/10/71/85/473107185.db2.gz RBSCZWNQUYQYOP-DLBZAZTESA-N 1 0 337.508 2.707 20 70 EFIDRO CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](COC)C(C)C)cc2)CC1 ZINC000160325976 473108391 /nfs/dbraw/zinc/10/83/91/473108391.db2.gz VMEMWYRZYVXIRD-HXUWFJFHSA-N 1 0 333.520 2.585 20 70 EFIDRO CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](COC)C(C)C)cc2)CC1 ZINC000160325861 473108561 /nfs/dbraw/zinc/10/85/61/473108561.db2.gz VMEMWYRZYVXIRD-FQEVSTJZSA-N 1 0 333.520 2.585 20 70 EFIDRO CCN(Cc1cnc2ccccn12)[C@H]1CCN(c2ccccc2)C1=O ZINC000160338847 473110516 /nfs/dbraw/zinc/11/05/16/473110516.db2.gz SVYHEFKJNKAFRS-SFHVURJKSA-N 1 0 334.423 2.962 20 70 EFIDRO CN(C)C(=O)c1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)ccc1F ZINC000160356558 473110843 /nfs/dbraw/zinc/11/08/43/473110843.db2.gz LLTYTLRQWHVKGN-KRWDZBQOSA-N 1 0 343.402 2.946 20 70 EFIDRO O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000160383199 473113709 /nfs/dbraw/zinc/11/37/09/473113709.db2.gz NCJACRRBGCFBKV-RTBURBONSA-N 1 0 342.487 2.878 20 70 EFIDRO CC(=O)Nc1ccc(/C=C/C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160385928 473115676 /nfs/dbraw/zinc/11/56/76/473115676.db2.gz OPCCFGMYXWHBGH-UFUQCMIWSA-N 1 0 343.471 2.895 20 70 EFIDRO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCc3c2cccc3O)CC1 ZINC000160393815 473116784 /nfs/dbraw/zinc/11/67/84/473116784.db2.gz CXWUPSMMJSVDDL-KVULBXGLSA-N 1 0 331.460 2.799 20 70 EFIDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160392385 473117349 /nfs/dbraw/zinc/11/73/49/473117349.db2.gz VWYARHKHLCLYKG-UHFFFAOYSA-N 1 0 347.385 2.687 20 70 EFIDRO CCCC1(CNC(=O)NCCCC[NH+]2CCN(CC)CC2)CCC1 ZINC000160403181 473118980 /nfs/dbraw/zinc/11/89/80/473118980.db2.gz TXRJISOLIFAQDX-UHFFFAOYSA-N 1 0 338.540 2.674 20 70 EFIDRO CCN(C(=O)NCC(C)(C)OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160431359 473124426 /nfs/dbraw/zinc/12/44/26/473124426.db2.gz HEZUAEJYHKGLIC-QGZVFWFLSA-N 1 0 333.476 2.717 20 70 EFIDRO Cc1ccc(-c2nc(NC(=O)c3cccc(C[NH+](C)C)c3)n[nH]2)o1 ZINC000160431709 473124449 /nfs/dbraw/zinc/12/44/49/473124449.db2.gz JCCSRLKSULCTIU-UHFFFAOYSA-N 1 0 325.372 2.687 20 70 EFIDRO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCO1 ZINC000160433535 473124857 /nfs/dbraw/zinc/12/48/57/473124857.db2.gz RMJLLXJESPNOGL-HNNXBMFYSA-N 1 0 343.427 2.895 20 70 EFIDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1C ZINC000160441035 473125605 /nfs/dbraw/zinc/12/56/05/473125605.db2.gz RXFYKEXSPBSVCG-KRWDZBQOSA-N 1 0 331.504 2.815 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000160447845 473125642 /nfs/dbraw/zinc/12/56/42/473125642.db2.gz IDIQJPCFYAKWSK-GFCCVEGCSA-N 1 0 334.489 2.991 20 70 EFIDRO Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000160456476 473127660 /nfs/dbraw/zinc/12/76/60/473127660.db2.gz AJSLIGBZLDZYNM-MRXNPFEDSA-N 1 0 327.432 2.516 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000160460422 473128383 /nfs/dbraw/zinc/12/83/83/473128383.db2.gz UKCMIMJVHJKBLD-UHFFFAOYSA-N 1 0 347.440 2.786 20 70 EFIDRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000160459139 473128691 /nfs/dbraw/zinc/12/86/91/473128691.db2.gz HCMZGWCZMMQNOC-UHFFFAOYSA-N 1 0 338.496 2.793 20 70 EFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncnc3sccc32)C[C@H](C)O1 ZINC000160472509 473130062 /nfs/dbraw/zinc/13/00/62/473130062.db2.gz OCHQTYKZLILRMF-MJBXVCDLSA-N 1 0 332.473 2.769 20 70 EFIDRO C[NH+](C)CCN(C(=O)NC[C@@H]1Cc2ccccc2O1)C1CCCC1 ZINC000160478847 473130811 /nfs/dbraw/zinc/13/08/11/473130811.db2.gz QYTUDMMLIQDEGF-KRWDZBQOSA-N 1 0 331.460 2.506 20 70 EFIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cncc(F)c1 ZINC000160486190 473130959 /nfs/dbraw/zinc/13/09/59/473130959.db2.gz PFPBDQNAORBRER-OAHLLOKOSA-N 1 0 329.419 2.904 20 70 EFIDRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1SC ZINC000160500155 473134011 /nfs/dbraw/zinc/13/40/11/473134011.db2.gz YVCICFJDRSCPLD-RISCZKNCSA-N 1 0 332.473 2.983 20 70 EFIDRO Cc1cc(N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C(C)C)n1 ZINC000160502128 473134086 /nfs/dbraw/zinc/13/40/86/473134086.db2.gz CAXBCKPRVOCAEM-IXDOHACOSA-N 1 0 332.492 2.986 20 70 EFIDRO Cc1cc(N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C(C)C)n1 ZINC000160502270 473134378 /nfs/dbraw/zinc/13/43/78/473134378.db2.gz CAXBCKPRVOCAEM-BBWFWOEESA-N 1 0 332.492 2.986 20 70 EFIDRO Cc1ccccc1OCC[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000160508026 473135462 /nfs/dbraw/zinc/13/54/62/473135462.db2.gz WKYGHJDHIUSYFC-AWEZNQCLSA-N 1 0 344.377 2.859 20 70 EFIDRO Cc1ccc(NCCCNC(=O)N(CC[NH+](C)C)C2CCCC2)nc1 ZINC000160507855 473135736 /nfs/dbraw/zinc/13/57/36/473135736.db2.gz ADSDJHQUEQQUKQ-UHFFFAOYSA-N 1 0 347.507 2.708 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000160522138 473136212 /nfs/dbraw/zinc/13/62/12/473136212.db2.gz MZOOKFDKVYSGCZ-UHFFFAOYSA-N 1 0 333.476 2.710 20 70 EFIDRO Cc1cc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)ccc1C(=O)N(C)C ZINC000160517098 473137041 /nfs/dbraw/zinc/13/70/41/473137041.db2.gz CZHLVOVDUYIGBB-KBXCAEBGSA-N 1 0 339.439 2.971 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160526597 473137568 /nfs/dbraw/zinc/13/75/68/473137568.db2.gz WBCPIRDIQQJXLM-AWEZNQCLSA-N 1 0 348.834 2.533 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC2CCCC2)cc1 ZINC000160542897 473139640 /nfs/dbraw/zinc/13/96/40/473139640.db2.gz RAJQFDYDASCQMQ-QGZVFWFLSA-N 1 0 346.471 2.585 20 70 EFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Br)s1 ZINC000160541513 473139816 /nfs/dbraw/zinc/13/98/16/473139816.db2.gz WFKCJXVFZQBFMV-LURJTMIESA-N 1 0 345.184 2.840 20 70 EFIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000160551594 473140434 /nfs/dbraw/zinc/14/04/34/473140434.db2.gz JANKFZXSZDRYIL-UHFFFAOYSA-N 1 0 326.872 2.659 20 70 EFIDRO Cn1cncc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160549106 473140604 /nfs/dbraw/zinc/14/06/04/473140604.db2.gz LRHVEEABLPPQQZ-YIONKMFJSA-N 1 0 334.464 2.782 20 70 EFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1OC(F)F ZINC000160559570 473142513 /nfs/dbraw/zinc/14/25/13/473142513.db2.gz ZPUNJQUNROHPNQ-MRVPVSSYSA-N 1 0 326.265 2.617 20 70 EFIDRO Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1C ZINC000160578222 473144821 /nfs/dbraw/zinc/14/48/21/473144821.db2.gz PENJUZNKOQBNKB-MOPGFXCFSA-N 1 0 330.472 2.801 20 70 EFIDRO CCN(C(=O)NCc1ccn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160575378 473144855 /nfs/dbraw/zinc/14/48/55/473144855.db2.gz LCEHSRFPNCYZKY-LJQANCHMSA-N 1 0 340.471 2.831 20 70 EFIDRO Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1C ZINC000160578476 473144906 /nfs/dbraw/zinc/14/49/06/473144906.db2.gz PENJUZNKOQBNKB-RTBURBONSA-N 1 0 330.472 2.801 20 70 EFIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000160596205 473147526 /nfs/dbraw/zinc/14/75/26/473147526.db2.gz MIYPLVHLSVIORK-HNNXBMFYSA-N 1 0 341.459 2.714 20 70 EFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000160603565 473148943 /nfs/dbraw/zinc/14/89/43/473148943.db2.gz ROFQQVZMPIYRSY-FUHWJXTLSA-N 1 0 349.475 2.619 20 70 EFIDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C(C)C ZINC000160616729 473152375 /nfs/dbraw/zinc/15/23/75/473152375.db2.gz WMOZPVPQPBPVDV-CYBMUJFWSA-N 1 0 332.366 2.530 20 70 EFIDRO CNC(=O)c1cc(C)ccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000160617229 473152898 /nfs/dbraw/zinc/15/28/98/473152898.db2.gz FPJOWCZVPGZWAA-DYVFJYSZSA-N 1 0 325.412 2.629 20 70 EFIDRO CCc1cc(=O)[nH]c(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000160633177 473154105 /nfs/dbraw/zinc/15/41/05/473154105.db2.gz XQJWXFWJRUKPEM-UHFFFAOYSA-N 1 0 344.434 2.592 20 70 EFIDRO CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCc2ccccc2C1 ZINC000160627572 473154171 /nfs/dbraw/zinc/15/41/71/473154171.db2.gz JAOHJWVIMJIGSE-RTBURBONSA-N 1 0 327.472 2.670 20 70 EFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160628572 473154215 /nfs/dbraw/zinc/15/42/15/473154215.db2.gz HJFPVWOODYBQKG-GFCCVEGCSA-N 1 0 347.385 2.831 20 70 EFIDRO CN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCc2ccccc2C1 ZINC000160627831 473154456 /nfs/dbraw/zinc/15/44/56/473154456.db2.gz JAOHJWVIMJIGSE-RBUKOAKNSA-N 1 0 327.472 2.670 20 70 EFIDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)O ZINC000160642174 473154833 /nfs/dbraw/zinc/15/48/33/473154833.db2.gz UCMVXCCTYMDIGX-SNVBAGLBSA-N 1 0 329.238 2.527 20 70 EFIDRO [NH3+]Cc1ccc(C(=O)NC2(c3cccc(Br)c3)CC2)o1 ZINC000160636400 473155629 /nfs/dbraw/zinc/15/56/29/473155629.db2.gz VKJJEPVCTLEBCX-UHFFFAOYSA-N 1 0 335.201 2.920 20 70 EFIDRO O=C(CCc1ccc2ccccc2c1)NCC1CC[NH+](CCO)CC1 ZINC000160645868 473156198 /nfs/dbraw/zinc/15/61/98/473156198.db2.gz MGRKIFYJOCZMIT-UHFFFAOYSA-N 1 0 340.467 2.593 20 70 EFIDRO CCN(C(=O)NC[C@]1(C)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160665886 473157332 /nfs/dbraw/zinc/15/73/32/473157332.db2.gz HRWUYEKMVSYQBQ-QUCCMNQESA-N 1 0 345.487 2.862 20 70 EFIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+](CC)CC)C12CCC2 ZINC000160661630 473157508 /nfs/dbraw/zinc/15/75/08/473157508.db2.gz OELAUWWHHUJBKC-HZPDHXFCSA-N 1 0 325.497 2.707 20 70 EFIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000160656360 473158006 /nfs/dbraw/zinc/15/80/06/473158006.db2.gz RYTWWJROQXAEMB-CYBMUJFWSA-N 1 0 325.474 2.824 20 70 EFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCSC[C@H]1c1ccccc1 ZINC000160668406 473158855 /nfs/dbraw/zinc/15/88/55/473158855.db2.gz RBKDHGSXTSNVMW-ROUUACIJSA-N 1 0 345.512 2.970 20 70 EFIDRO CCCCOc1ccc(/C=C/C(=O)N2CC[C@H]([NH2+]C)C2)cc1OC ZINC000160666382 473159323 /nfs/dbraw/zinc/15/93/23/473159323.db2.gz OTXILBSNVSBCEM-DYLHUKMJSA-N 1 0 332.444 2.708 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)C1 ZINC000160685967 473160280 /nfs/dbraw/zinc/16/02/80/473160280.db2.gz XTYIOGWDQNRNFZ-OAHLLOKOSA-N 1 0 328.387 2.935 20 70 EFIDRO Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000160685713 473160626 /nfs/dbraw/zinc/16/06/26/473160626.db2.gz YEWMUTJWTKDOEE-ZBFHGGJFSA-N 1 0 348.516 2.955 20 70 EFIDRO CCN(CC)c1nc2sc(C(=O)N3CC[C@@H]([NH2+]C)C3)cc2s1 ZINC000160710698 473165074 /nfs/dbraw/zinc/16/50/74/473165074.db2.gz ASEVZOLRCQWWEA-SNVBAGLBSA-N 1 0 338.502 2.638 20 70 EFIDRO Cc1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160720353 473165642 /nfs/dbraw/zinc/16/56/42/473165642.db2.gz MPQPLHFFNKYSHP-WOJBJXKFSA-N 1 0 344.499 2.812 20 70 EFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc(F)cc1)C1CC1 ZINC000160718922 473166365 /nfs/dbraw/zinc/16/63/65/473166365.db2.gz RQEMVVDQPWKGEN-QGZVFWFLSA-N 1 0 331.435 2.984 20 70 EFIDRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160765281 473172579 /nfs/dbraw/zinc/17/25/79/473172579.db2.gz BVHBUCXPQWTLIB-IHRRRGAJSA-N 1 0 329.448 2.710 20 70 EFIDRO COc1cc(/C=C/C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1F ZINC000160770776 473173790 /nfs/dbraw/zinc/17/37/90/473173790.db2.gz UOPFOHGZGKZCOW-YFZXXLGGSA-N 1 0 332.419 2.790 20 70 EFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2ccccc2CC1 ZINC000160792758 473176281 /nfs/dbraw/zinc/17/62/81/473176281.db2.gz OEKJBCONXTUOBA-SFHVURJKSA-N 1 0 327.472 2.814 20 70 EFIDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1NC(=O)CC(C)C ZINC000160808542 473177391 /nfs/dbraw/zinc/17/73/91/473177391.db2.gz HVSUDJSNMPRJAE-CVEARBPZSA-N 1 0 331.460 2.979 20 70 EFIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1NC(=O)CC(C)C ZINC000160808162 473177632 /nfs/dbraw/zinc/17/76/32/473177632.db2.gz HVSUDJSNMPRJAE-JKSUJKDBSA-N 1 0 331.460 2.979 20 70 EFIDRO O=C(CCc1cc(Cl)ccc1Br)N1CCC[NH2+]CC1 ZINC000160844653 473181854 /nfs/dbraw/zinc/18/18/54/473181854.db2.gz CPFVUFVRVGGYPH-UHFFFAOYSA-N 1 0 345.668 2.857 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000160853173 473183126 /nfs/dbraw/zinc/18/31/26/473183126.db2.gz HAEODIOUDKMQGQ-DZGCQCFKSA-N 1 0 327.384 2.532 20 70 EFIDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC2(CCC2)C1 ZINC000160860470 473185211 /nfs/dbraw/zinc/18/52/11/473185211.db2.gz ZTLQFJWPAGHYBL-UHFFFAOYSA-N 1 0 337.533 2.934 20 70 EFIDRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000160868377 473185579 /nfs/dbraw/zinc/18/55/79/473185579.db2.gz WJSGZCNGBHBFQE-GOSISDBHSA-N 1 0 342.487 2.899 20 70 EFIDRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160887599 473186517 /nfs/dbraw/zinc/18/65/17/473186517.db2.gz HMLCWIGBJBGDJB-QWFCFKBJSA-N 1 0 333.472 2.670 20 70 EFIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCOc2ccccc2Cl)C1 ZINC000160908239 473189210 /nfs/dbraw/zinc/18/92/10/473189210.db2.gz OKSSDHYJPPVEMB-UONOGXRCSA-N 1 0 339.867 2.891 20 70 EFIDRO CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160907100 473189399 /nfs/dbraw/zinc/18/93/99/473189399.db2.gz IBTAKCYVXQINEU-OAHLLOKOSA-N 1 0 345.443 2.574 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CO)c1ccccc1 ZINC000160915592 473190703 /nfs/dbraw/zinc/19/07/03/473190703.db2.gz SWRLQHOKVQUOTM-ROUUACIJSA-N 1 0 333.476 2.530 20 70 EFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@H](Nc2ccccc2)C1 ZINC000160912066 473191025 /nfs/dbraw/zinc/19/10/25/473191025.db2.gz YCDBRLGTYRYUAY-ZWKOTPCHSA-N 1 0 342.487 2.899 20 70 EFIDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000160927632 473191328 /nfs/dbraw/zinc/19/13/28/473191328.db2.gz BTCAYLZQJVEXNV-JKIFEVAISA-N 1 0 334.485 2.531 20 70 EFIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000160939152 473192898 /nfs/dbraw/zinc/19/28/98/473192898.db2.gz BKBYSVYOYZJTTA-CYBMUJFWSA-N 1 0 341.249 2.777 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000160940463 473193178 /nfs/dbraw/zinc/19/31/78/473193178.db2.gz SHIFSCKMDJHAKX-OAHLLOKOSA-N 1 0 338.473 2.572 20 70 EFIDRO CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1 ZINC000160947388 473193630 /nfs/dbraw/zinc/19/36/30/473193630.db2.gz PAGUCXFSEVXRQH-SFHVURJKSA-N 1 0 339.439 2.533 20 70 EFIDRO O=C(C[C@@H]1CSCCS1)NC1CC[NH+](C2CCCC2)CC1 ZINC000160956008 473194049 /nfs/dbraw/zinc/19/40/49/473194049.db2.gz FCWOKHMDGXKOSL-OAHLLOKOSA-N 1 0 328.547 2.748 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000160958844 473194078 /nfs/dbraw/zinc/19/40/78/473194078.db2.gz GMTYLHHZDCSGDK-FQEVSTJZSA-N 1 0 338.451 2.922 20 70 EFIDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)c1ccccc1 ZINC000160959870 473194368 /nfs/dbraw/zinc/19/43/68/473194368.db2.gz RXOQDZSOSRSCBW-KRWDZBQOSA-N 1 0 348.450 2.976 20 70 EFIDRO CC[C@H](C)CS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160969414 473194947 /nfs/dbraw/zinc/19/49/47/473194947.db2.gz TZUFKZQJRRXLFR-OOHWJJMZSA-N 1 0 330.538 2.995 20 70 EFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000160980542 473196859 /nfs/dbraw/zinc/19/68/59/473196859.db2.gz RHRRWUNCWZUHFH-YOEHRIQHSA-N 1 0 344.480 2.975 20 70 EFIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(F)cc1F ZINC000160996738 473197769 /nfs/dbraw/zinc/19/77/69/473197769.db2.gz OOXWHOSLABKPBQ-IAQYHMDHSA-N 1 0 341.402 2.876 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCc3nc(C)sc32)cc1 ZINC000161001501 473198327 /nfs/dbraw/zinc/19/83/27/473198327.db2.gz ZUCCJBKDVWXWOS-OAHLLOKOSA-N 1 0 345.468 2.744 20 70 EFIDRO CC(C)NC(=O)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000161000500 473198522 /nfs/dbraw/zinc/19/85/22/473198522.db2.gz ZLVXJJTZCVQNTI-UHFFFAOYSA-N 1 0 341.858 2.558 20 70 EFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccncc1C ZINC000161014980 473199178 /nfs/dbraw/zinc/19/91/78/473199178.db2.gz LAOJQUXHGTYZNI-GOSISDBHSA-N 1 0 332.492 2.886 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000161035472 473200610 /nfs/dbraw/zinc/20/06/10/473200610.db2.gz UGDZABYRHMXBOP-GFCCVEGCSA-N 1 0 347.484 2.581 20 70 EFIDRO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161049120 473201976 /nfs/dbraw/zinc/20/19/76/473201976.db2.gz VTZWDGPFSRFXHW-ILZDJORESA-N 1 0 330.472 2.627 20 70 EFIDRO CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161055776 473202298 /nfs/dbraw/zinc/20/22/98/473202298.db2.gz BXBYSEWANYAKOV-CABCVRRESA-N 1 0 342.443 2.661 20 70 EFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000161060167 473202888 /nfs/dbraw/zinc/20/28/88/473202888.db2.gz VLQIHJIKRZGMAH-LERXQTSPSA-N 1 0 330.881 2.613 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000161066443 473203322 /nfs/dbraw/zinc/20/33/22/473203322.db2.gz NRCGXHUCUIYDTN-JKSUJKDBSA-N 1 0 336.863 2.774 20 70 EFIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161074542 473204174 /nfs/dbraw/zinc/20/41/74/473204174.db2.gz ZOIYAVSORCFYHC-YUELXQCFSA-N 1 0 342.480 2.753 20 70 EFIDRO Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1Br ZINC000159781610 533916803 /nfs/dbraw/zinc/91/68/03/533916803.db2.gz LZGVUJAUJZKHTA-UHFFFAOYSA-N 1 0 325.250 2.845 20 70 EFIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000159843577 534164382 /nfs/dbraw/zinc/16/43/82/534164382.db2.gz LZEJYCFNHVOYBN-KXBFYZLASA-N 1 0 328.456 2.556 20 70 EFIDRO Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1C(=O)NC(C)C ZINC000159498972 534190729 /nfs/dbraw/zinc/19/07/29/534190729.db2.gz ATZQPLTUJNEOJK-UHFFFAOYSA-N 1 0 325.412 2.844 20 70 EFIDRO CC(C)[NH+](CCS[C@H]1CCCN(c2ccn(C)n2)C1=O)C(C)C ZINC000161026826 519650310 /nfs/dbraw/zinc/65/03/10/519650310.db2.gz FVLNYQWLMSRWMH-HNNXBMFYSA-N 1 0 338.521 2.768 20 70 EFIDRO CC1(C(=O)NC[C@H]2CCC[C@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000159399938 520224182 /nfs/dbraw/zinc/22/41/82/520224182.db2.gz BKNATEUOWHHBOR-OALUTQOASA-N 1 0 344.499 2.956 20 70 EFIDRO CC1(C(=O)NC[C@@H]2CCC[C@@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000159400067 520224203 /nfs/dbraw/zinc/22/42/03/520224203.db2.gz BKNATEUOWHHBOR-RTBURBONSA-N 1 0 344.499 2.956 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)c(Cl)cc1Cl ZINC000159981393 534537314 /nfs/dbraw/zinc/53/73/14/534537314.db2.gz DAFUMKUSYMHZKC-SNVBAGLBSA-N 1 0 349.233 2.709 20 70 EFIDRO Cc1cccc(C(=O)N[C@@H](C(=O)NCC2([NH3+])CCCCC2)C(C)C)c1 ZINC000159485823 534612208 /nfs/dbraw/zinc/61/22/08/534612208.db2.gz ZTFLRUYOCMYEQC-QGZVFWFLSA-N 1 0 345.487 2.527 20 70 EFIDRO [NH3+]CCCNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000160106258 534616684 /nfs/dbraw/zinc/61/66/84/534616684.db2.gz FLXSZGGSLMHYIC-UHFFFAOYSA-N 1 0 343.452 2.568 20 70 EFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC(=O)C[C@H]2C)c1 ZINC000159637703 534705397 /nfs/dbraw/zinc/70/53/97/534705397.db2.gz KYANIAHCLCOCBC-VQIMIIECSA-N 1 0 330.472 2.891 20 70 EFIDRO O=S(=O)(c1ccc2ccccc2c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000160152841 534873123 /nfs/dbraw/zinc/87/31/23/534873123.db2.gz OZXWOZAAUVFXOZ-UHFFFAOYSA-N 1 0 344.480 2.993 20 70 EFIDRO CC(C)(O)CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000161254719 527327906 /nfs/dbraw/zinc/32/79/06/527327906.db2.gz LYYKIEWAYNGUHF-UHFFFAOYSA-N 1 0 331.254 2.752 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccnc(OC(C)C)c2)C1 ZINC000160248808 528021784 /nfs/dbraw/zinc/02/17/84/528021784.db2.gz MCFBGOBYKUTPBL-KRWDZBQOSA-N 1 0 348.491 2.646 20 70 EFIDRO CCN(CC)C(=O)[C@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160069369 528057656 /nfs/dbraw/zinc/05/76/56/528057656.db2.gz ATOAYDZUFRMTAL-KRWDZBQOSA-N 1 0 346.519 2.877 20 70 EFIDRO CCC[C@H](C)[NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160341954 528065310 /nfs/dbraw/zinc/06/53/10/528065310.db2.gz NMUSGMMHOAARPK-DOTOQJQBSA-N 1 0 336.476 2.855 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000160662526 528106420 /nfs/dbraw/zinc/10/64/20/528106420.db2.gz CBMRIKCBVVBMOK-UHFFFAOYSA-N 1 0 343.475 2.950 20 70 EFIDRO CC(C)c1ccc(N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000161457818 528108454 /nfs/dbraw/zinc/10/84/54/528108454.db2.gz TZHSWGCOTVKOBA-UHFFFAOYSA-N 1 0 327.432 2.603 20 70 EFIDRO CCC[N@H+](C[C@@H](O)COCC(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159990552 528118513 /nfs/dbraw/zinc/11/85/13/528118513.db2.gz UWSNRTMNZWXVNZ-FUHWJXTLSA-N 1 0 336.476 2.759 20 70 EFIDRO CCC[C@H](CCO)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160910932 528118805 /nfs/dbraw/zinc/11/88/05/528118805.db2.gz FWTGXTYIJDBDQN-SJORKVTESA-N 1 0 327.513 2.595 20 70 EFIDRO CCC[N@H+](C[C@H](O)COCC(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159990430 528125127 /nfs/dbraw/zinc/12/51/27/528125127.db2.gz UWSNRTMNZWXVNZ-WMZOPIPTSA-N 1 0 336.476 2.759 20 70 EFIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCOc2ccccc2Cl)C1 ZINC000159764513 528257633 /nfs/dbraw/zinc/25/76/33/528257633.db2.gz QSDIMHDYYDHZLD-CQSZACIVSA-N 1 0 339.867 2.750 20 70 EFIDRO CC(C)c1nc(C(=O)N2CCC[C@@H]2C[NH3+])nn1-c1ccccc1Cl ZINC000160291017 528259299 /nfs/dbraw/zinc/25/92/99/528259299.db2.gz YNCYPQHJJCVFTC-GFCCVEGCSA-N 1 0 347.850 2.607 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cnn(C)c1C)c1ccsc1 ZINC000159743914 528274663 /nfs/dbraw/zinc/27/46/63/528274663.db2.gz DVOFBBNWIKQMGW-MRXNPFEDSA-N 1 0 349.504 2.672 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000159644409 528894997 /nfs/dbraw/zinc/89/49/97/528894997.db2.gz LOOLYRIBGZJIDN-WMZOPIPTSA-N 1 0 335.492 2.523 20 70 EFIDRO CCC[C@@H](CCO)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160910805 528931592 /nfs/dbraw/zinc/93/15/92/528931592.db2.gz FWTGXTYIJDBDQN-IRXDYDNUSA-N 1 0 327.513 2.595 20 70 EFIDRO CC[NH+]1CCC(NC(=O)NCCOc2ccccc2Cl)CC1 ZINC000159574006 528981680 /nfs/dbraw/zinc/98/16/80/528981680.db2.gz MNTVZOUQAYYSPD-UHFFFAOYSA-N 1 0 325.840 2.502 20 70 EFIDRO CC[NH+]1CCC(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)CC1 ZINC000160338311 528987055 /nfs/dbraw/zinc/98/70/55/528987055.db2.gz PIPWYUNQLOYYMD-UHFFFAOYSA-N 1 0 342.443 2.608 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCCCOCCc2ccccc2)CC1 ZINC000159698772 529026064 /nfs/dbraw/zinc/02/60/64/529026064.db2.gz JBZLMLWGDILJCH-UHFFFAOYSA-N 1 0 347.503 2.763 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(OCC(F)F)c2)CC1 ZINC000159801670 529027603 /nfs/dbraw/zinc/02/76/03/529027603.db2.gz NPFFQEHPAZINEG-UHFFFAOYSA-N 1 0 341.402 2.568 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2OCC(C)C)CC1 ZINC000159727243 529029068 /nfs/dbraw/zinc/02/90/68/529029068.db2.gz MMEUWMSVPRZHEE-UHFFFAOYSA-N 1 0 333.476 2.959 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000159933208 529031554 /nfs/dbraw/zinc/03/15/54/529031554.db2.gz YPRXKXPDBFKQAZ-MRXNPFEDSA-N 1 0 341.459 2.671 20 70 EFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)c1cccc(OC)c1 ZINC000160327273 529077806 /nfs/dbraw/zinc/07/78/06/529077806.db2.gz HDCKQMRMTKSGNY-MRXNPFEDSA-N 1 0 333.476 2.756 20 70 EFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159747289 529104245 /nfs/dbraw/zinc/10/42/45/529104245.db2.gz KATAXPLAHQARQI-SQNIBIBYSA-N 1 0 331.460 2.690 20 70 EFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000159905974 529104594 /nfs/dbraw/zinc/10/45/94/529104594.db2.gz KGRWCWZWJDVCRU-ZDUSSCGKSA-N 1 0 330.350 2.728 20 70 EFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161423078 529179748 /nfs/dbraw/zinc/17/97/48/529179748.db2.gz PCIWDTMSLHMNBS-HNNXBMFYSA-N 1 0 346.471 2.990 20 70 EFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160245334 529201702 /nfs/dbraw/zinc/20/17/02/529201702.db2.gz IXGLCRFGHMINNJ-INIZCTEOSA-N 1 0 345.487 2.638 20 70 EFIDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000159394160 529520284 /nfs/dbraw/zinc/52/02/84/529520284.db2.gz XRARDMBSMUSDIN-ZBFHGGJFSA-N 1 0 342.505 2.793 20 70 EFIDRO C[N@H+](CCOc1ccc(F)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000160360847 529925628 /nfs/dbraw/zinc/92/56/28/529925628.db2.gz BCQJABFLUFZWFQ-CQSZACIVSA-N 1 0 348.340 2.690 20 70 EFIDRO C[NH2+]CC(=O)N[C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000160999485 529956277 /nfs/dbraw/zinc/95/62/77/529956277.db2.gz NHBWUUOKFHRUSK-IBGZPJMESA-N 1 0 326.440 2.931 20 70 EFIDRO C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@@H]1CCC[C@@H]1O ZINC000159766657 529993211 /nfs/dbraw/zinc/99/32/11/529993211.db2.gz FVVQRBPHNPYWLL-OALUTQOASA-N 1 0 330.472 2.906 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000161203925 530003193 /nfs/dbraw/zinc/00/31/93/530003193.db2.gz MGGGTEAULALKQT-QGZVFWFLSA-N 1 0 334.423 2.850 20 70 EFIDRO C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000159569721 530050177 /nfs/dbraw/zinc/05/01/77/530050177.db2.gz QPQABGMGKJHPEL-CQSZACIVSA-N 1 0 337.851 2.597 20 70 EFIDRO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159957167 239039300 /nfs/dbraw/zinc/03/93/00/239039300.db2.gz WSJXONGYHYZLRR-RWMBFGLXSA-N 1 0 342.361 2.826 20 70 EFIDRO COCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160991752 239062037 /nfs/dbraw/zinc/06/20/37/239062037.db2.gz XXBOIJMRYUNMMT-KRWDZBQOSA-N 1 0 325.497 2.565 20 70 EFIDRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000159471837 239029357 /nfs/dbraw/zinc/02/93/57/239029357.db2.gz GHBYEIFIRBLLCP-SJORKVTESA-N 1 0 344.480 2.917 20 70 EFIDRO COc1ccccc1[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccn1 ZINC000159988966 532978822 /nfs/dbraw/zinc/97/88/22/532978822.db2.gz XIEBVFAOWZXQBJ-LJQANCHMSA-N 1 0 339.439 2.638 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C(C)C)C1 ZINC000160543823 533037794 /nfs/dbraw/zinc/03/77/94/533037794.db2.gz MTHVGAHOCTXLDR-INIZCTEOSA-N 1 0 339.439 2.868 20 70 EFIDRO COC[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000160843462 285212097 /nfs/dbraw/zinc/21/20/97/285212097.db2.gz PXERMEGIPJZCSJ-NXEZZACHSA-N 1 0 330.222 2.906 20 70 EFIDRO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159804665 533324393 /nfs/dbraw/zinc/32/43/93/533324393.db2.gz SLUPCIQTKLCXEF-BXWFABGCSA-N 1 0 345.487 2.707 20 70 EFIDRO CSCCCCC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000159696731 533542333 /nfs/dbraw/zinc/54/23/33/533542333.db2.gz JTZYDFLUJHOPDW-UHFFFAOYSA-N 1 0 349.544 2.848 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000160348085 533609613 /nfs/dbraw/zinc/60/96/13/533609613.db2.gz GWYVIBSRGLDIOO-VQIMIIECSA-N 1 0 338.455 2.886 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000160335984 533610732 /nfs/dbraw/zinc/61/07/32/533610732.db2.gz JJNJKROWVKXEFP-GDBMZVCRSA-N 1 0 344.484 2.948 20 70 EFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000159513062 533648663 /nfs/dbraw/zinc/64/86/63/533648663.db2.gz ZHYIYNFAVCJDNQ-CVEARBPZSA-N 1 0 342.439 2.905 20 70 EFIDRO COC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000161496386 533649906 /nfs/dbraw/zinc/64/99/06/533649906.db2.gz MUBOSWDPKLEJGK-OAHLLOKOSA-N 1 0 347.459 2.509 20 70 EFIDRO Cc1ccc(C)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160379717 533652287 /nfs/dbraw/zinc/65/22/87/533652287.db2.gz HXAFYKZJUXNXBD-RTBURBONSA-N 1 0 330.472 2.801 20 70 EFIDRO C[C@H]([NH3+])C(=O)NCCCCSc1ccccc1Br ZINC000159546587 225235836 /nfs/dbraw/zinc/23/58/36/225235836.db2.gz UORMTYDKJUZNCO-JTQLQIEISA-N 1 0 331.279 2.785 20 70 EFIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)c2cnn(C(C)C)c2n1 ZINC000159460827 225221589 /nfs/dbraw/zinc/22/15/89/225221589.db2.gz VRGITRRFVHZQND-UHFFFAOYSA-N 1 0 329.448 2.712 20 70 EFIDRO C[C@H](C(=O)Nc1cnn(CC(F)(F)F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000159695669 225261785 /nfs/dbraw/zinc/26/17/85/225261785.db2.gz WRHVCKUGOFVONM-GXFFZTMASA-N 1 0 326.322 2.720 20 70 EFIDRO O=C(c1c(F)c(F)cc(F)c1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159748928 225270573 /nfs/dbraw/zinc/27/05/73/225270573.db2.gz ABBHBJZJMVPJJY-UHFFFAOYSA-N 1 0 330.325 2.847 20 70 EFIDRO CN(C(=O)C1([NH3+])CCCCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159748034 225270704 /nfs/dbraw/zinc/27/07/04/225270704.db2.gz SJXIGPXBSRAYBQ-HNNXBMFYSA-N 1 0 349.862 2.565 20 70 EFIDRO COCC[N@H+](C)CCCNC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000159799702 225279997 /nfs/dbraw/zinc/27/99/97/225279997.db2.gz WGGRDVMUVWEQLD-UHFFFAOYSA-N 1 0 347.484 2.817 20 70 EFIDRO COC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000159796586 225280290 /nfs/dbraw/zinc/28/02/90/225280290.db2.gz KIJPDOBAIDIAGB-WMLDXEAASA-N 1 0 333.476 2.840 20 70 EFIDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159824650 225284516 /nfs/dbraw/zinc/28/45/16/225284516.db2.gz LQRUZCJIISUHKB-UHFFFAOYSA-N 1 0 344.434 2.716 20 70 EFIDRO Cc1csc2nc(C[N@@H+](C)Cc3cccc(N(C)C)c3)cc(=O)n12 ZINC000159876182 225294657 /nfs/dbraw/zinc/29/46/57/225294657.db2.gz MRCFOKJBFNBRSE-UHFFFAOYSA-N 1 0 342.468 2.762 20 70 EFIDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(=O)n3C)cc2)C1 ZINC000159998353 225317401 /nfs/dbraw/zinc/31/74/01/225317401.db2.gz OZIGGBFCJQOODE-HNNXBMFYSA-N 1 0 339.439 2.870 20 70 EFIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000159564134 225239582 /nfs/dbraw/zinc/23/95/82/225239582.db2.gz POZGTEIVDFQEIG-RHSMWYFYSA-N 1 0 334.435 2.721 20 70 EFIDRO C[C@H](CNC(=O)NCc1ccc(O)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000159590158 225244637 /nfs/dbraw/zinc/24/46/37/225244637.db2.gz PMSQBMCNXJUTFW-CQSZACIVSA-N 1 0 345.418 2.851 20 70 EFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000159634013 225252300 /nfs/dbraw/zinc/25/23/00/225252300.db2.gz UHSMFLMOVIXAOQ-GOSISDBHSA-N 1 0 330.472 2.612 20 70 EFIDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(F)n1 ZINC000159626716 225252522 /nfs/dbraw/zinc/25/25/22/225252522.db2.gz YSONZXJBRARDAW-UHFFFAOYSA-N 1 0 337.345 2.703 20 70 EFIDRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159661609 225256328 /nfs/dbraw/zinc/25/63/28/225256328.db2.gz KBXNOFLPJMDEGP-XJKSGUPXSA-N 1 0 329.444 2.673 20 70 EFIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160271451 225376408 /nfs/dbraw/zinc/37/64/08/225376408.db2.gz OUPPBXQYOCADGW-FZKCQIBNSA-N 1 0 336.501 2.776 20 70 EFIDRO COc1ccc([C@@H](C[NH2+][C@H](C)C(C)C)N2CCOCC2)cc1OC ZINC000160336802 225390273 /nfs/dbraw/zinc/39/02/73/225390273.db2.gz PBESGGZMGDSYHS-NVXWUHKLSA-N 1 0 336.476 2.711 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000160059668 225328256 /nfs/dbraw/zinc/32/82/56/225328256.db2.gz BDVAHZHNXCJPBJ-LPHOPBHVSA-N 1 0 338.455 2.886 20 70 EFIDRO Cc1ccc(-n2nc(C(=O)NCC(C)(C)[NH3+])c3c2CCCC3)cc1 ZINC000160070892 225332128 /nfs/dbraw/zinc/33/21/28/225332128.db2.gz JDFSLOBIXAXBLY-UHFFFAOYSA-N 1 0 326.444 2.527 20 70 EFIDRO O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160111977 225340763 /nfs/dbraw/zinc/34/07/63/225340763.db2.gz BNFBRKRPXCVOMH-CQSZACIVSA-N 1 0 344.427 2.604 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000160126593 225343744 /nfs/dbraw/zinc/34/37/44/225343744.db2.gz BBWYJLITCHSVNG-QGZVFWFLSA-N 1 0 336.501 2.942 20 70 EFIDRO O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160160099 225351287 /nfs/dbraw/zinc/35/12/87/225351287.db2.gz MPSKSNCNTNLNNZ-CYBMUJFWSA-N 1 0 344.427 2.604 20 70 EFIDRO C[NH+](C)Cc1ccccc1CNC(=O)c1csc([C@H]2CCCO2)n1 ZINC000160179021 225355305 /nfs/dbraw/zinc/35/53/05/225355305.db2.gz ADVBVAOCMSKKMA-MRXNPFEDSA-N 1 0 345.468 2.986 20 70 EFIDRO FC(F)c1nnc2ccc(N3CCC[C@@H]3C[NH+]3CCCCC3)nn21 ZINC000160454589 225419966 /nfs/dbraw/zinc/41/99/66/225419966.db2.gz VBOUKJNVCZNISN-GFCCVEGCSA-N 1 0 336.390 2.517 20 70 EFIDRO O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161122560 225551876 /nfs/dbraw/zinc/55/18/76/225551876.db2.gz SBTGUMJUQBRFBN-RVKKMQEKSA-N 1 0 339.863 2.707 20 70 EFIDRO C[C@H](C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1)N1CCc2ccccc21 ZINC000159900120 544799285 /nfs/dbraw/zinc/79/92/85/544799285.db2.gz CUSSGVIXXKVFBF-HZPDHXFCSA-N 1 0 348.454 2.764 20 70 EFIDRO COCCOc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C)cc1OC ZINC000160238024 544803837 /nfs/dbraw/zinc/80/38/37/544803837.db2.gz OLKZRDHYGMNWPJ-CYBMUJFWSA-N 1 0 333.432 2.613 20 70 EFIDRO O=C(CCCc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160288383 544804025 /nfs/dbraw/zinc/80/40/25/544804025.db2.gz MICWEAAPUMZFAG-PMACEKPBSA-N 1 0 344.499 2.893 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(Br)c1 ZINC000160444695 544805372 /nfs/dbraw/zinc/80/53/72/544805372.db2.gz UCNRBMOXKBPBAG-GFCCVEGCSA-N 1 0 329.238 2.892 20 70 EFIDRO CCC[NH+]1CCC(N[C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000160649663 544807849 /nfs/dbraw/zinc/80/78/49/544807849.db2.gz UCUIDNRIXJCPNF-LJQANCHMSA-N 1 0 329.488 2.814 20 70 EFIDRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccncc1 ZINC000161255873 544811216 /nfs/dbraw/zinc/81/12/16/544811216.db2.gz YJXFXIQSZAGXPF-HNNXBMFYSA-N 1 0 329.419 2.963 20 70 EFIDRO CCN(C(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000161398926 544813228 /nfs/dbraw/zinc/81/32/28/544813228.db2.gz VSXMLPAWTXUVPI-KRWDZBQOSA-N 1 0 344.503 2.773 20 70 EFIDRO CC(C)CCC[C@@H](C)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161388307 544813660 /nfs/dbraw/zinc/81/36/60/544813660.db2.gz KINRBWLEQDMCAB-QGZVFWFLSA-N 1 0 332.492 2.535 20 70 EFIDRO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccc2c(c1)CCCC2 ZINC000159621890 544797767 /nfs/dbraw/zinc/79/77/67/544797767.db2.gz QVMQBEGSNRYSHX-YSSFQJQWSA-N 1 0 344.499 2.835 20 70 EFIDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)(C)C ZINC000160625087 264741053 /nfs/dbraw/zinc/74/10/53/264741053.db2.gz QCVYWXKAVROTAL-LLVKDONJSA-N 1 0 349.401 2.933 20 70 EFIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160378496 273022066 /nfs/dbraw/zinc/02/20/66/273022066.db2.gz YGJIRFRYJFTTIT-KSZLIROESA-N 1 0 335.492 2.604 20 70 EFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2cnc3ccccc3n2)C[C@H](C)O1 ZINC000160475632 274350309 /nfs/dbraw/zinc/35/03/09/274350309.db2.gz YZPFMFVYWHZGRL-XHSDSOJGSA-N 1 0 326.444 2.708 20 70 EFIDRO O=C1[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000161026507 275028230 /nfs/dbraw/zinc/02/82/30/275028230.db2.gz VDJIMRHNYCXFGS-RDJZCZTQSA-N 1 0 338.810 2.697 20 70 EFIDRO CCC[C@@H]1CN(C(=O)N[C@@H]2CCCc3occc32)CC[N@@H+]1CCOC ZINC000160432126 276030327 /nfs/dbraw/zinc/03/03/27/276030327.db2.gz NTIVHGJLBFMKHO-NVXWUHKLSA-N 1 0 349.475 2.799 20 70 EFIDRO CSCC[C@H]([NH3+])C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000160118562 278133090 /nfs/dbraw/zinc/13/30/90/278133090.db2.gz RVWSYMDANCFUNO-LBPRGKRZSA-N 1 0 336.486 2.841 20 70 EFIDRO C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160303509 278218253 /nfs/dbraw/zinc/21/82/53/278218253.db2.gz QHNNHJIQRMXMHS-RYRKJORJSA-N 1 0 333.476 2.672 20 70 EFIDRO C[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N1CCc2sccc2C1 ZINC000159882496 279349444 /nfs/dbraw/zinc/34/94/44/279349444.db2.gz MGSKDIYEJAQNFS-CZUORRHYSA-N 1 0 330.501 2.895 20 70 EFIDRO C[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)N1CCc2sccc2C1 ZINC000159882777 279352775 /nfs/dbraw/zinc/35/27/75/279352775.db2.gz MGSKDIYEJAQNFS-CJNGLKHVSA-N 1 0 330.501 2.895 20 70 EFIDRO Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160444050 280752128 /nfs/dbraw/zinc/75/21/28/280752128.db2.gz DDSSRDVLXOMLNC-RRCSEMEMSA-N 1 0 342.483 2.892 20 70 EFIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000159379397 310686382 /nfs/dbraw/zinc/68/63/82/310686382.db2.gz ROBMSUGAPMYNHR-IBGZPJMESA-N 1 0 346.515 2.953 20 70 EFIDRO [NH3+]CC(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000159489742 310687757 /nfs/dbraw/zinc/68/77/57/310687757.db2.gz FYFYDXJTRQVLRR-UHFFFAOYSA-N 1 0 329.444 2.833 20 70 EFIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)/C=C/c2cc3ccccc3o2)CC1 ZINC000159584562 310688824 /nfs/dbraw/zinc/68/88/24/310688824.db2.gz PKCZQZZYLNFACR-LXXRFIIISA-N 1 0 342.439 2.655 20 70 EFIDRO Cc1nn(C)cc1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000159770810 310691268 /nfs/dbraw/zinc/69/12/68/310691268.db2.gz DUACDVCFMSCFEH-SFHVURJKSA-N 1 0 348.878 2.545 20 70 EFIDRO CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000160311896 310697404 /nfs/dbraw/zinc/69/74/04/310697404.db2.gz HUSMNIYKSSGPON-FGTMMUONSA-N 1 0 331.460 2.690 20 70 EFIDRO Cc1noc(Cl)c1CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000160661515 310701638 /nfs/dbraw/zinc/70/16/38/310701638.db2.gz SCMLLJHIGOZMIP-CQSZACIVSA-N 1 0 339.798 2.737 20 70 EFIDRO CCc1nn(C)c(CC)c1C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000160699137 310701868 /nfs/dbraw/zinc/70/18/68/310701868.db2.gz LWNONWWVEZUYAA-UHFFFAOYSA-N 1 0 342.487 2.876 20 70 EFIDRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000161432468 533706478 /nfs/dbraw/zinc/70/64/78/533706478.db2.gz ZSHAIICNTFDCCC-RDJZCZTQSA-N 1 0 346.471 2.704 20 70 EFIDRO C[N@H+](CC(=O)Nc1ccccc1Br)[C@H]1CCCC[C@@H]1O ZINC000161084113 473205418 /nfs/dbraw/zinc/20/54/18/473205418.db2.gz CFTUSVGYKAAPKQ-KBPBESRZSA-N 1 0 341.249 2.623 20 70 EFIDRO CC(=O)NC1CCC(Nc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000161104158 473206768 /nfs/dbraw/zinc/20/67/68/473206768.db2.gz HMVXWKXIBULOKJ-UHFFFAOYSA-N 1 0 345.487 2.503 20 70 EFIDRO C[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Sc1ccccc1 ZINC000161116460 473208035 /nfs/dbraw/zinc/20/80/35/473208035.db2.gz ALHVQNVUHWWPSU-AWEZNQCLSA-N 1 0 326.465 2.780 20 70 EFIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000161117222 473208134 /nfs/dbraw/zinc/20/81/34/473208134.db2.gz TUBZILBJMKFTNM-FJIDUMEYSA-N 1 0 347.503 2.604 20 70 EFIDRO CC[C@H]1CN(C(=O)c2c(F)cccc2Br)CC[C@@H]1[NH3+] ZINC000161114558 473208216 /nfs/dbraw/zinc/20/82/16/473208216.db2.gz OOFASMXEXIAHAU-CABZTGNLSA-N 1 0 329.213 2.788 20 70 EFIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NO[C@H]1CCCCO1 ZINC000161110917 473208294 /nfs/dbraw/zinc/20/82/94/473208294.db2.gz XFZIUHAACZLIIQ-IRXDYDNUSA-N 1 0 333.432 2.581 20 70 EFIDRO C[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)Oc1ccc(F)cc1 ZINC000161124520 473209468 /nfs/dbraw/zinc/20/94/68/473209468.db2.gz JEJYXZNFOLGMPO-CQSZACIVSA-N 1 0 345.418 2.749 20 70 EFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2F)C1 ZINC000161134298 473210572 /nfs/dbraw/zinc/21/05/72/473210572.db2.gz PBQJVCXWNDBJHT-WBMJQRKESA-N 1 0 330.407 2.674 20 70 EFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCO[C@@H](c2cccs2)C1 ZINC000161126791 473210621 /nfs/dbraw/zinc/21/06/21/473210621.db2.gz MLSZUHLVJCXOAC-GOEBONIOSA-N 1 0 349.500 2.848 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000161170628 473214165 /nfs/dbraw/zinc/21/41/65/473214165.db2.gz DOWCBKVCAFYOJB-UHFFFAOYSA-N 1 0 346.471 2.882 20 70 EFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000161183861 473214760 /nfs/dbraw/zinc/21/47/60/473214760.db2.gz COEROXRYBRQIDL-YOEHRIQHSA-N 1 0 339.505 2.583 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000161193507 473216122 /nfs/dbraw/zinc/21/61/22/473216122.db2.gz KQFYIROYZWJQKP-UHFFFAOYSA-N 1 0 346.475 2.564 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000161201927 473217483 /nfs/dbraw/zinc/21/74/83/473217483.db2.gz WMEHUYHCBMDINW-UHFFFAOYSA-N 1 0 334.460 2.617 20 70 EFIDRO CO[C@H]1CCN(Cc2cc(F)ccc2Br)[C@H](C[NH3+])C1 ZINC000161210416 473217713 /nfs/dbraw/zinc/21/77/13/473217713.db2.gz LYCTYHKDXIREOQ-STQMWFEESA-N 1 0 331.229 2.526 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000161210757 473217976 /nfs/dbraw/zinc/21/79/76/473217976.db2.gz DHUWWAKZBFGLAK-JCYILVPMSA-N 1 0 335.517 2.922 20 70 EFIDRO COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)[C@H](C)[NH3+])CCO2 ZINC000161214604 473218119 /nfs/dbraw/zinc/21/81/19/473218119.db2.gz QMFWLPFJMNGUQJ-KSSFIOAISA-N 1 0 340.423 2.895 20 70 EFIDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000161217809 473218168 /nfs/dbraw/zinc/21/81/68/473218168.db2.gz UCKUPKWQCSAKGJ-JQHSSLGASA-N 1 0 347.503 2.918 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(-c2ccccc2OC)n1 ZINC000161231322 473218516 /nfs/dbraw/zinc/21/85/16/473218516.db2.gz YMEQTRZDMJUNFK-GFCCVEGCSA-N 1 0 331.441 2.643 20 70 EFIDRO CC[C@@H](CNC(=O)[C@@H]([NH3+])CC)Cc1cccc(Br)c1 ZINC000161224435 473218681 /nfs/dbraw/zinc/21/86/81/473218681.db2.gz PCAIYGHMQRSNGE-RISCZKNCSA-N 1 0 327.266 2.871 20 70 EFIDRO CCN(c1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1)C(C)C ZINC000161224668 473218783 /nfs/dbraw/zinc/21/87/83/473218783.db2.gz KCYUKGUBRSZCCC-DOTOQJQBSA-N 1 0 332.492 2.775 20 70 EFIDRO CCCOc1ncccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161222539 473218859 /nfs/dbraw/zinc/21/88/59/473218859.db2.gz LVNMHVHZIZAZMC-UHFFFAOYSA-N 1 0 327.428 2.862 20 70 EFIDRO CC1=C(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCCO1 ZINC000161226968 473219039 /nfs/dbraw/zinc/21/90/39/473219039.db2.gz YEWMIQFEBTYPJQ-AWEZNQCLSA-N 1 0 329.444 2.808 20 70 EFIDRO C[NH+](C)CC1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000161250264 473220748 /nfs/dbraw/zinc/22/07/48/473220748.db2.gz WAQBWZDTUAYVGJ-SSDMNJCBSA-N 1 0 337.489 2.845 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1csc(Br)c1 ZINC000161236319 473220150 /nfs/dbraw/zinc/22/01/50/473220150.db2.gz NVCOXKBFKRHHFQ-SGUJLRQBSA-N 1 0 329.263 2.734 20 70 EFIDRO Cc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000161280048 473223918 /nfs/dbraw/zinc/22/39/18/473223918.db2.gz HPKYVVWSJXJDGD-HNNXBMFYSA-N 1 0 329.444 2.730 20 70 EFIDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)nc2)ccc1S(C)(=O)=O ZINC000161290134 473224531 /nfs/dbraw/zinc/22/45/31/473224531.db2.gz IKXFAIHVHHYVIU-ZDUSSCGKSA-N 1 0 334.441 2.653 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 ZINC000161326262 473226440 /nfs/dbraw/zinc/22/64/40/473226440.db2.gz OMDBSLCMWXJTOQ-XAVKZTDYSA-N 1 0 332.444 2.706 20 70 EFIDRO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161337494 473227133 /nfs/dbraw/zinc/22/71/33/473227133.db2.gz JPGICCNONRZWJL-QGZVFWFLSA-N 1 0 336.439 2.762 20 70 EFIDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCn2ccnc2C1 ZINC000161331174 473227205 /nfs/dbraw/zinc/22/72/05/473227205.db2.gz RHXRTFGWCQNEMZ-KRWDZBQOSA-N 1 0 338.455 2.723 20 70 EFIDRO COCC[NH+]1CCC(NC(=O)CCOc2ccccc2C(C)C)CC1 ZINC000161348213 473228721 /nfs/dbraw/zinc/22/87/21/473228721.db2.gz SLFVGYMCVCOQHA-UHFFFAOYSA-N 1 0 348.487 2.806 20 70 EFIDRO CC[NH+]1CCC(N(C)Cc2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000161351523 473229616 /nfs/dbraw/zinc/22/96/16/473229616.db2.gz GDHCLCOLFGFHMH-UHFFFAOYSA-N 1 0 334.489 2.518 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ncn1)c1cccc(OC)c1 ZINC000161407051 473233601 /nfs/dbraw/zinc/23/36/01/473233601.db2.gz PMZXMKQFXWOWIP-GOSISDBHSA-N 1 0 342.443 2.607 20 70 EFIDRO O=C(N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCn2ccnc2C1 ZINC000161412972 473234050 /nfs/dbraw/zinc/23/40/50/473234050.db2.gz DIXZZPVLUJRDAP-ZBFHGGJFSA-N 1 0 338.436 2.808 20 70 EFIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)CCCCCC[NH3+])ccc2NC1=O ZINC000161364112 473230469 /nfs/dbraw/zinc/23/04/69/473230469.db2.gz UGYANGMCCIHGND-BBRMVZONSA-N 1 0 347.459 2.883 20 70 EFIDRO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000161372116 473230926 /nfs/dbraw/zinc/23/09/26/473230926.db2.gz SLJXGTALROEWFL-ORAYPTAESA-N 1 0 329.444 2.602 20 70 EFIDRO O[C@H](C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1)C(F)(F)F ZINC000161383811 473231087 /nfs/dbraw/zinc/23/10/87/473231087.db2.gz RGGDQTNAJZETHT-MRXNPFEDSA-N 1 0 329.362 2.799 20 70 EFIDRO C[C@H](C(=O)N(C)C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161387445 473231932 /nfs/dbraw/zinc/23/19/32/473231932.db2.gz LDWAFKKYSJYYSM-CYBMUJFWSA-N 1 0 332.423 2.557 20 70 EFIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)N1CCCC1 ZINC000161388624 473232211 /nfs/dbraw/zinc/23/22/11/473232211.db2.gz YKZBBJZEBFWTPG-UHFFFAOYSA-N 1 0 326.444 2.564 20 70 EFIDRO COC(=O)C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000161431214 473234254 /nfs/dbraw/zinc/23/42/54/473234254.db2.gz KHXZOIFLQHXLNW-QGZVFWFLSA-N 1 0 346.471 2.704 20 70 EFIDRO CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000161420505 473234270 /nfs/dbraw/zinc/23/42/70/473234270.db2.gz HDOJCHJLKQPIJM-JKSUJKDBSA-N 1 0 341.459 2.529 20 70 EFIDRO CCOc1c(Cl)cc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000161437687 473235158 /nfs/dbraw/zinc/23/51/58/473235158.db2.gz BPVSVVVSAZTRGT-QGZVFWFLSA-N 1 0 340.851 2.753 20 70 EFIDRO COC(=O)C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000161432353 473235628 /nfs/dbraw/zinc/23/56/28/473235628.db2.gz ZSHAIICNTFDCCC-DOTOQJQBSA-N 1 0 346.471 2.704 20 70 EFIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000161451311 473236060 /nfs/dbraw/zinc/23/60/60/473236060.db2.gz FEYATEIDWZPHJM-HNNXBMFYSA-N 1 0 328.460 2.744 20 70 EFIDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000161465088 473237439 /nfs/dbraw/zinc/23/74/39/473237439.db2.gz BMMVYUXLGVQASC-AWEZNQCLSA-N 1 0 334.460 2.973 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000161496734 473239594 /nfs/dbraw/zinc/23/95/94/473239594.db2.gz VKXYMSRGMKCXSH-STQMWFEESA-N 1 0 336.432 2.677 20 70 EFIDRO Cc1noc(Cl)c1CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000161500965 473239972 /nfs/dbraw/zinc/23/99/72/473239972.db2.gz YHTBAIIZBJDNFO-UHFFFAOYSA-N 1 0 335.835 2.769 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161503596 473240515 /nfs/dbraw/zinc/24/05/15/473240515.db2.gz SGOUHSXUKXUKRI-NBMRYCAZSA-N 1 0 330.428 2.714 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000159369866 473021397 /nfs/dbraw/zinc/02/13/97/473021397.db2.gz QNKYKFNPQKXFHR-UHFFFAOYSA-N 1 0 339.439 2.908 20 70 EFIDRO CC1(C(=O)NC[C@H]2CCC[C@@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000159400198 473024252 /nfs/dbraw/zinc/02/42/52/473024252.db2.gz BKNATEUOWHHBOR-RBUKOAKNSA-N 1 0 344.499 2.956 20 70 EFIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000159392588 473024710 /nfs/dbraw/zinc/02/47/10/473024710.db2.gz XDDHZMNKTBTHRV-OAHLLOKOSA-N 1 0 336.457 2.727 20 70 EFIDRO C[C@H](CC(=O)Nc1cnn(-c2ccccc2F)c1)[C@@H]1CCC[NH2+]C1 ZINC000159483334 473030672 /nfs/dbraw/zinc/03/06/72/473030672.db2.gz GDFWTLOCUAKVAI-ZIAGYGMSSA-N 1 0 330.407 2.976 20 70 EFIDRO Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1C(=O)NC(C)C ZINC000159499274 473032641 /nfs/dbraw/zinc/03/26/41/473032641.db2.gz RFKGHINXCRCHIQ-KRWDZBQOSA-N 1 0 325.412 2.772 20 70 EFIDRO Cc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1C(=O)NC(C)C ZINC000159499120 473032670 /nfs/dbraw/zinc/03/26/70/473032670.db2.gz RFKGHINXCRCHIQ-QGZVFWFLSA-N 1 0 325.412 2.772 20 70 EFIDRO CC[C@@H](C)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)on1 ZINC000159537521 473036989 /nfs/dbraw/zinc/03/69/89/473036989.db2.gz JTZSRQVUJACYEW-CYBMUJFWSA-N 1 0 343.431 2.587 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000159579235 473041326 /nfs/dbraw/zinc/04/13/26/473041326.db2.gz DHVHEKKVGJVFMO-QGZVFWFLSA-N 1 0 341.459 2.712 20 70 EFIDRO COC[C@H](NC(=O)C[NH2+]CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000159618277 473044450 /nfs/dbraw/zinc/04/44/50/473044450.db2.gz SHOPRLAFJQHGDJ-AWEZNQCLSA-N 1 0 330.350 2.509 20 70 EFIDRO C[C@H](CCNC(=O)N(C)CC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000159629440 473045679 /nfs/dbraw/zinc/04/56/79/473045679.db2.gz NSVFFDSSGHKADP-QGZVFWFLSA-N 1 0 347.503 2.965 20 70 EFIDRO Cc1c(C(=O)NCC[NH2+]C2CCCCCC2)cnn1-c1ccccn1 ZINC000159635695 473047050 /nfs/dbraw/zinc/04/70/50/473047050.db2.gz UFCAIDBRFNATJK-UHFFFAOYSA-N 1 0 341.459 2.618 20 70 EFIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000159659400 473048759 /nfs/dbraw/zinc/04/87/59/473048759.db2.gz AEQSUJNRCMIJNO-FHWLQOOXSA-N 1 0 330.472 2.833 20 70 EFIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000159663625 473049936 /nfs/dbraw/zinc/04/99/36/473049936.db2.gz VGVHTFXUNAOGKH-JKSUJKDBSA-N 1 0 333.480 2.877 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000159660618 473050294 /nfs/dbraw/zinc/05/02/94/473050294.db2.gz AUSWTBCFIZTELI-UHFFFAOYSA-N 1 0 340.471 2.974 20 70 EFIDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000159710158 473053396 /nfs/dbraw/zinc/05/33/96/473053396.db2.gz VZIJXFKIJKLHDY-HIFRSBDPSA-N 1 0 337.489 2.989 20 70 EFIDRO CCOCCC1(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000159783562 473060428 /nfs/dbraw/zinc/06/04/28/473060428.db2.gz ZEGPBVRSDMRWCI-INIZCTEOSA-N 1 0 325.497 2.613 20 70 EFIDRO CCC[C@H]([NH3+])C(=O)N(CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000159783793 473060719 /nfs/dbraw/zinc/06/07/19/473060719.db2.gz SFGBYKIXVLTIRR-AWEZNQCLSA-N 1 0 325.840 2.645 20 70 EFIDRO CC1(C)CC(NC(=O)[C@@H]2COc3ccc(F)cc3C2)CC(C)(C)[NH2+]1 ZINC000159841980 473065958 /nfs/dbraw/zinc/06/59/58/473065958.db2.gz TYDBNKLRGVHJPA-ZDUSSCGKSA-N 1 0 334.435 2.802 20 70 EFIDRO Cc1cccc([C@@H]2CCCN2Cc2csc(CC(=O)N(C)C)n2)n1 ZINC000159844644 473066189 /nfs/dbraw/zinc/06/61/89/473066189.db2.gz KTONRXSQMVHCIG-INIZCTEOSA-N 1 0 344.484 2.814 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1 ZINC000159870794 473068627 /nfs/dbraw/zinc/06/86/27/473068627.db2.gz RFOPWXBGESYCAT-HKUYNNGSSA-N 1 0 333.476 2.626 20 70 EFIDRO CCN(C(=O)N[C@@H](C)CCOC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159894975 473069747 /nfs/dbraw/zinc/06/97/47/473069747.db2.gz VSNORFYJVVOBBT-WMZOPIPTSA-N 1 0 333.476 2.717 20 70 EFIDRO CC1CC[NH+](CCCCNC(=O)CCCc2nc(C3CC3)no2)CC1 ZINC000159949350 473074105 /nfs/dbraw/zinc/07/41/05/473074105.db2.gz FHKNMIHKDSKRDW-UHFFFAOYSA-N 1 0 348.491 2.898 20 70 EFIDRO C[N@H+](CC(=O)NCCc1ccc2ccccc2c1)[C@@H]1CCSC1 ZINC000159989712 473078464 /nfs/dbraw/zinc/07/84/64/473078464.db2.gz LGSSKVLHRSOPIX-GOSISDBHSA-N 1 0 328.481 2.936 20 70 EFIDRO CCOc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1OC ZINC000159984397 473078638 /nfs/dbraw/zinc/07/86/38/473078638.db2.gz MDWSVECVHOAEDX-MRXNPFEDSA-N 1 0 349.475 2.576 20 70 EFIDRO CCOc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ccc1OC ZINC000159984530 473079077 /nfs/dbraw/zinc/07/90/77/473079077.db2.gz MDWSVECVHOAEDX-INIZCTEOSA-N 1 0 349.475 2.576 20 70 EFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC(C)(C)C ZINC000160002784 473080265 /nfs/dbraw/zinc/08/02/65/473080265.db2.gz XCXBXQTVXLTFIC-MRXNPFEDSA-N 1 0 346.519 2.923 20 70 EFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC(C)(C)C ZINC000160002653 473080563 /nfs/dbraw/zinc/08/05/63/473080563.db2.gz XCXBXQTVXLTFIC-INIZCTEOSA-N 1 0 346.519 2.923 20 70 EFIDRO C[C@@H](CNC(=O)N(C)Cc1cccn1C)[N@H+](C)Cc1ccccc1 ZINC000160070065 473084006 /nfs/dbraw/zinc/08/40/06/473084006.db2.gz NZLFIOUVYGKQRW-INIZCTEOSA-N 1 0 328.460 2.687 20 70 EFIDRO COc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cc1O ZINC000160082593 473086068 /nfs/dbraw/zinc/08/60/68/473086068.db2.gz NLBPTOVMSPCWTQ-UHFFFAOYSA-N 1 0 343.427 2.881 20 70 EFIDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H](O)c1ccccc1 ZINC000160098147 473086605 /nfs/dbraw/zinc/08/66/05/473086605.db2.gz JCOIANLHGSJARK-LJQANCHMSA-N 1 0 342.414 2.640 20 70 EFIDRO CC(C)[C@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000160108359 473088764 /nfs/dbraw/zinc/08/87/64/473088764.db2.gz QKDZGMHCNFIODS-ULQDDVLXSA-N 1 0 325.497 2.562 20 70 EFIDRO O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160128142 473089656 /nfs/dbraw/zinc/08/96/56/473089656.db2.gz VQDSFGZRHNZPAX-SFHVURJKSA-N 1 0 348.512 2.814 20 70 EFIDRO O=C(NCCc1cccc(O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160234891 473099557 /nfs/dbraw/zinc/09/95/57/473099557.db2.gz FQUKHQJXMDOSEX-IBGZPJMESA-N 1 0 338.451 2.963 20 70 EFIDRO CCOc1ncccc1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160242175 473101220 /nfs/dbraw/zinc/10/12/20/473101220.db2.gz GMZAFWOXYSAWRO-UHFFFAOYSA-N 1 0 348.491 2.744 20 70 EFIDRO CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160266794 473101908 /nfs/dbraw/zinc/10/19/08/473101908.db2.gz KTRHMPOACTVZEY-JSFADZTLSA-N 1 0 347.503 2.746 20 70 EFIDRO O=C(c1c(F)cc(Br)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160307666 473106632 /nfs/dbraw/zinc/10/66/32/473106632.db2.gz NOMNYINXGZWSAI-AOOOYVTPSA-N 1 0 345.187 2.694 20 70 EFIDRO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160323969 473108041 /nfs/dbraw/zinc/10/80/41/473108041.db2.gz DVDFTETYRYAUCW-LLVKDONJSA-N 1 0 337.851 2.888 20 70 EFIDRO CC1CC[NH+]([C@@H](CNC(=O)C[C@H]2COC(=O)C2)c2ccccc2)CC1 ZINC000160320819 473108610 /nfs/dbraw/zinc/10/86/10/473108610.db2.gz UNWCVTXTUCKETQ-AEFFLSMTSA-N 1 0 344.455 2.529 20 70 EFIDRO C[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)N1CCc2ccccc2C1 ZINC000160337677 473110049 /nfs/dbraw/zinc/11/00/49/473110049.db2.gz CEIHSCVZDISCKI-CQSZACIVSA-N 1 0 338.407 2.825 20 70 EFIDRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160389881 473115157 /nfs/dbraw/zinc/11/51/57/473115157.db2.gz JFFUHOBSPIKMAP-JXFKEZNVSA-N 1 0 338.426 2.931 20 70 EFIDRO [NH3+][C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)[C@@H]2CC[C@H]1C2 ZINC000160387642 473115713 /nfs/dbraw/zinc/11/57/13/473115713.db2.gz YYSMFGHITINBHE-SQDXWYPISA-N 1 0 344.430 2.620 20 70 EFIDRO COCC1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160400180 473118384 /nfs/dbraw/zinc/11/83/84/473118384.db2.gz FDAUEAKGFSBEJI-QFBILLFUSA-N 1 0 345.487 2.717 20 70 EFIDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160410144 473119660 /nfs/dbraw/zinc/11/96/60/473119660.db2.gz FSRLOOWKZBMYGK-UHFFFAOYSA-N 1 0 347.385 2.830 20 70 EFIDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160432506 473123685 /nfs/dbraw/zinc/12/36/85/473123685.db2.gz WNUPNMJGVXPISS-GOSISDBHSA-N 1 0 347.459 2.849 20 70 EFIDRO CC(C)c1nc(N(C)C)nc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160438860 473125384 /nfs/dbraw/zinc/12/53/84/473125384.db2.gz KTDSUABHVIRUGC-HNNXBMFYSA-N 1 0 332.496 2.516 20 70 EFIDRO CCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@@H]([NH2+]C)C2)cc1OC ZINC000160475704 473129577 /nfs/dbraw/zinc/12/95/77/473129577.db2.gz BQRWVFAIPIESMA-URWSZGRFSA-N 1 0 338.835 2.581 20 70 EFIDRO C[C@H](NC(=O)NC1(C)CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000160470232 473130100 /nfs/dbraw/zinc/13/01/00/473130100.db2.gz GAYVKMQSGTXVMD-AWEZNQCLSA-N 1 0 348.466 2.880 20 70 EFIDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)C(C)(C)O1 ZINC000160493258 473132692 /nfs/dbraw/zinc/13/26/92/473132692.db2.gz IYGUDGBTJOBVBJ-SFHVURJKSA-N 1 0 332.488 2.955 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000160516445 473136756 /nfs/dbraw/zinc/13/67/56/473136756.db2.gz CTLIPBQXIAFKJI-NSHDSACASA-N 1 0 343.265 2.850 20 70 EFIDRO Cc1cc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)ccc1C(=O)N(C)C ZINC000160516969 473136817 /nfs/dbraw/zinc/13/68/17/473136817.db2.gz CZHLVOVDUYIGBB-KDOFPFPSSA-N 1 0 339.439 2.971 20 70 EFIDRO COc1cc(F)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000160517122 473137058 /nfs/dbraw/zinc/13/70/58/473137058.db2.gz JCRJLJWJIZKZMY-CYBMUJFWSA-N 1 0 338.423 2.693 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC(C)C)C3CC3)nc(N)c21 ZINC000160543808 473139325 /nfs/dbraw/zinc/13/93/25/473139325.db2.gz NVPZDOKIGHHFPN-UHFFFAOYSA-N 1 0 346.431 2.911 20 70 EFIDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160545796 473140473 /nfs/dbraw/zinc/14/04/73/473140473.db2.gz AHDQKXFPKVVHRZ-QWFCFKBJSA-N 1 0 333.472 2.670 20 70 EFIDRO CCOC(=O)C(C)(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160559526 473142242 /nfs/dbraw/zinc/14/22/42/473142242.db2.gz IIHGPPRVTMAHCN-UHFFFAOYSA-N 1 0 326.481 2.545 20 70 EFIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000160574499 473145082 /nfs/dbraw/zinc/14/50/82/473145082.db2.gz SKODHJSQBFDBPA-MOPGFXCFSA-N 1 0 349.519 2.852 20 70 EFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000160573582 473145341 /nfs/dbraw/zinc/14/53/41/473145341.db2.gz YOGJPWKZDGURQK-UHFFFAOYSA-N 1 0 345.487 2.517 20 70 EFIDRO O=C(C[NH2+]CC1CC1)NCC1(c2ccccc2Br)CC1 ZINC000160594897 473148086 /nfs/dbraw/zinc/14/80/86/473148086.db2.gz RAKRQCMRETYDSY-UHFFFAOYSA-N 1 0 337.261 2.597 20 70 EFIDRO CC(C)CC1(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCC1 ZINC000160614568 473152911 /nfs/dbraw/zinc/15/29/11/473152911.db2.gz YZPRTYIWFYXPNB-RTBURBONSA-N 1 0 344.499 2.954 20 70 EFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000160640718 473155746 /nfs/dbraw/zinc/15/57/46/473155746.db2.gz WYJRTDHRSCVEJO-QGZVFWFLSA-N 1 0 326.444 2.727 20 70 EFIDRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1F ZINC000160655429 473156554 /nfs/dbraw/zinc/15/65/54/473156554.db2.gz LAUAHLWJUZSHLJ-MRXNPFEDSA-N 1 0 340.395 2.853 20 70 EFIDRO C[N@@H+]1CC[C@@H](CNC(=O)CN(Cc2ccccc2)c2ccccc2)C1 ZINC000160655467 473156669 /nfs/dbraw/zinc/15/66/69/473156669.db2.gz DTEMSVWEQGLLJA-IBGZPJMESA-N 1 0 337.467 2.761 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)NCc1csc(-c2ccco2)n1 ZINC000160664405 473158060 /nfs/dbraw/zinc/15/80/60/473158060.db2.gz RENNHPIJXIFRPH-UHFFFAOYSA-N 1 0 336.461 2.934 20 70 EFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCSC[C@H]1c1ccccc1 ZINC000160668145 473158552 /nfs/dbraw/zinc/15/85/52/473158552.db2.gz RBKDHGSXTSNVMW-MSOLQXFVSA-N 1 0 345.512 2.970 20 70 EFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCc3ccccc3[C@@H]2CO)CC1 ZINC000160691869 473162459 /nfs/dbraw/zinc/16/24/59/473162459.db2.gz NRRLMHBFEZKWNY-IBGZPJMESA-N 1 0 344.499 2.863 20 70 EFIDRO CCOCCC1(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000160713096 473165813 /nfs/dbraw/zinc/16/58/13/473165813.db2.gz FMSCLFAYTAOAOP-GOSISDBHSA-N 1 0 332.488 2.872 20 70 EFIDRO CCc1nc2c(s1)[C@H](N(C)C(=O)NC1CC[NH+](C)CC1)CCC2 ZINC000160715443 473165845 /nfs/dbraw/zinc/16/58/45/473165845.db2.gz SBPDRPKOMHKNDI-CQSZACIVSA-N 1 0 336.505 2.819 20 70 EFIDRO Cc1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160720083 473166354 /nfs/dbraw/zinc/16/63/54/473166354.db2.gz MPQPLHFFNKYSHP-UXHICEINSA-N 1 0 344.499 2.812 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000160732300 473167285 /nfs/dbraw/zinc/16/72/85/473167285.db2.gz FYTXDNNKRURTHM-GXFFZTMASA-N 1 0 341.249 2.657 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000160732177 473167355 /nfs/dbraw/zinc/16/73/55/473167355.db2.gz FYTXDNNKRURTHM-ZWNOBZJWSA-N 1 0 341.249 2.657 20 70 EFIDRO CCC1(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCCC1 ZINC000160747435 473169380 /nfs/dbraw/zinc/16/93/80/473169380.db2.gz RJKXKHGIVVFSHI-ROUUACIJSA-N 1 0 330.472 2.708 20 70 EFIDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1 ZINC000160742616 473169533 /nfs/dbraw/zinc/16/95/33/473169533.db2.gz HGCRVAVXRRZUPV-KRWDZBQOSA-N 1 0 336.432 2.975 20 70 EFIDRO Cc1nc(CCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)sc1C ZINC000160791879 473176294 /nfs/dbraw/zinc/17/62/94/473176294.db2.gz BFWULWYCSRKXPL-ZDUSSCGKSA-N 1 0 338.521 2.866 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000160814034 473178642 /nfs/dbraw/zinc/17/86/42/473178642.db2.gz RPKZYMLWKYVDTO-QWHCGFSZSA-N 1 0 330.350 2.904 20 70 EFIDRO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2F)n1 ZINC000160828441 473179552 /nfs/dbraw/zinc/17/95/52/473179552.db2.gz WYGJSHRNKDVXBT-LSDHHAIUSA-N 1 0 330.407 2.628 20 70 EFIDRO Cc1cnn([C@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000160832553 473181210 /nfs/dbraw/zinc/18/12/10/473181210.db2.gz QRZGPCUOEDBEGC-AEFFLSMTSA-N 1 0 345.491 2.555 20 70 EFIDRO Cc1cc(C)n(Cc2cccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)n1 ZINC000160840390 473181650 /nfs/dbraw/zinc/18/16/50/473181650.db2.gz QCCKBQGRKYIMSX-ROUUACIJSA-N 1 0 326.444 2.548 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccc(Br)cc2F)C1 ZINC000160840096 473182335 /nfs/dbraw/zinc/18/23/35/473182335.db2.gz UCOKKKDOFAFNQV-OLZOCXBDSA-N 1 0 343.240 2.907 20 70 EFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1cccnc1)C1CC1 ZINC000160862245 473184408 /nfs/dbraw/zinc/18/44/08/473184408.db2.gz CURCPAXCHVCYHU-MRXNPFEDSA-N 1 0 328.460 2.773 20 70 EFIDRO CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C1CCC(CO)CC1 ZINC000160876648 473186020 /nfs/dbraw/zinc/18/60/20/473186020.db2.gz PGQPFERYBALGCZ-YMAMQOFZSA-N 1 0 339.505 2.543 20 70 EFIDRO CCN(C(=O)N[C@@H](COC)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160882957 473186838 /nfs/dbraw/zinc/18/68/38/473186838.db2.gz BSCOBTOSOMYUBE-MOPGFXCFSA-N 1 0 345.487 2.717 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000160882518 473187025 /nfs/dbraw/zinc/18/70/25/473187025.db2.gz UDXGWUDJVGLMNA-FUHWJXTLSA-N 1 0 337.423 2.939 20 70 EFIDRO CN(C)c1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c(F)c1 ZINC000160905951 473189573 /nfs/dbraw/zinc/18/95/73/473189573.db2.gz GKJVGTBNPVAJGF-UHFFFAOYSA-N 1 0 347.409 2.893 20 70 EFIDRO C[N@H+](CCNC(=O)C[C@@H]1CSCCS1)Cc1ccc(F)cc1 ZINC000160905186 473189650 /nfs/dbraw/zinc/18/96/50/473189650.db2.gz HBXLDVJWFLNPNH-OAHLLOKOSA-N 1 0 342.505 2.612 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)C1 ZINC000160907913 473189743 /nfs/dbraw/zinc/18/97/43/473189743.db2.gz XTDYVPRBFQRKQZ-GJZGRUSLSA-N 1 0 332.835 2.585 20 70 EFIDRO CCOCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000160927901 473191371 /nfs/dbraw/zinc/19/13/71/473191371.db2.gz KTEUXVCAOCXYFV-MRXNPFEDSA-N 1 0 325.497 2.709 20 70 EFIDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000160927700 473192058 /nfs/dbraw/zinc/19/20/58/473192058.db2.gz BTCAYLZQJVEXNV-GRDNDAEWSA-N 1 0 334.485 2.531 20 70 EFIDRO C[C@H](SCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1nc2ccccc2[nH]1 ZINC000160937689 473192440 /nfs/dbraw/zinc/19/24/40/473192440.db2.gz ZHSNEVVGWCDKJP-RWMBFGLXSA-N 1 0 332.473 2.743 20 70 EFIDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1c(F)cc(F)cc1F ZINC000160939587 473193446 /nfs/dbraw/zinc/19/34/46/473193446.db2.gz FAHUUYAVAKKRIS-UHFFFAOYSA-N 1 0 349.356 2.893 20 70 EFIDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000160985646 473196341 /nfs/dbraw/zinc/19/63/41/473196341.db2.gz RRJGSYVHCZFHQN-SFYZADRCSA-N 1 0 333.251 2.519 20 70 EFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000161003493 473198427 /nfs/dbraw/zinc/19/84/27/473198427.db2.gz HUIKUZWENOQXFZ-WMLDXEAASA-N 1 0 344.480 2.975 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)CC1 ZINC000161027418 473200953 /nfs/dbraw/zinc/20/09/53/473200953.db2.gz DBTKYSYSOVPPSK-UHFFFAOYSA-N 1 0 344.503 2.924 20 70 EFIDRO [NH3+]C1(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)CCCCC1 ZINC000161041017 473201912 /nfs/dbraw/zinc/20/19/12/473201912.db2.gz YCTSZSJVRBMYIT-DLBZAZTESA-N 1 0 332.444 2.969 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000161041455 473201964 /nfs/dbraw/zinc/20/19/64/473201964.db2.gz DMJADVFOQVCODH-AWEZNQCLSA-N 1 0 347.440 2.959 20 70 EFIDRO O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000161074560 473204251 /nfs/dbraw/zinc/20/42/51/473204251.db2.gz BUGBEZUPDPFWKG-UXHICEINSA-N 1 0 338.451 2.508 20 70 EFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Br)cc1O ZINC000217406996 474142372 /nfs/dbraw/zinc/14/23/72/474142372.db2.gz KHSLMNLYNOCWNH-JTQLQIEISA-N 1 0 329.238 2.615 20 70 EFIDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)c(SC)cc1OC ZINC000159728102 533801209 /nfs/dbraw/zinc/80/12/09/533801209.db2.gz PXHCNPGCDQSONF-UHFFFAOYSA-N 1 0 338.473 2.513 20 70 EFIDRO C[C@@H](CNC(=O)NCCc1ccc(Cl)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160202392 533958184 /nfs/dbraw/zinc/95/81/84/533958184.db2.gz RONDUFBZMGZOJI-KGLIPLIRSA-N 1 0 338.883 2.697 20 70 EFIDRO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000159653934 534023145 /nfs/dbraw/zinc/02/31/45/534023145.db2.gz BTWJIJQXZAMIAG-GXFFZTMASA-N 1 0 343.290 2.798 20 70 EFIDRO CS[C@H](C)CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160217286 534027793 /nfs/dbraw/zinc/02/77/93/534027793.db2.gz LGNYJFVHXYIWMO-QGZVFWFLSA-N 1 0 349.544 2.847 20 70 EFIDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000159876033 534031305 /nfs/dbraw/zinc/03/13/05/534031305.db2.gz PIMQXKSAQDQSDT-STQMWFEESA-N 1 0 345.418 2.517 20 70 EFIDRO O=C(CCC[NH2+]C1CCC2(CC1)OCCO2)N1CCc2ccccc21 ZINC000161431296 534358055 /nfs/dbraw/zinc/35/80/55/534358055.db2.gz VZWJKKMWTLWKKO-UHFFFAOYSA-N 1 0 344.455 2.631 20 70 EFIDRO CC(=O)NC1CCC(Nc2cccc(OCCC[NH+](C)C)c2)CC1 ZINC000161176728 519646362 /nfs/dbraw/zinc/64/63/62/519646362.db2.gz ONMNFCKTENZJSE-UHFFFAOYSA-N 1 0 333.476 2.876 20 70 EFIDRO O=C(CCc1nc(-c2ccoc2)no1)NCC[NH2+]C1CCCCCC1 ZINC000159629894 534490964 /nfs/dbraw/zinc/49/09/64/534490964.db2.gz FIRATTYNKMABSA-UHFFFAOYSA-N 1 0 346.431 2.691 20 70 EFIDRO [NH3+]C1(CNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CCCCC1 ZINC000159675561 534534530 /nfs/dbraw/zinc/53/45/30/534534530.db2.gz MTVHKIAQNSRHJQ-UHFFFAOYSA-N 1 0 349.519 2.629 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c(Cl)cccc1Cl ZINC000159963475 534538827 /nfs/dbraw/zinc/53/88/27/534538827.db2.gz IAVIOPFYWCGTGC-LLVKDONJSA-N 1 0 331.243 2.570 20 70 EFIDRO [NH3+]C1(CNC(=O)c2ccn(-c3cccc(Cl)c3)n2)CCCCC1 ZINC000159530909 534547843 /nfs/dbraw/zinc/54/78/43/534547843.db2.gz RQAULQLWTHLSQL-UHFFFAOYSA-N 1 0 332.835 2.917 20 70 EFIDRO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159816113 534696409 /nfs/dbraw/zinc/69/64/09/534696409.db2.gz VRGNWWVINSGZJP-UHFFFAOYSA-N 1 0 330.259 2.936 20 70 EFIDRO CC[C@H](C)[N@H+](C)CCNCc1cc2c(cc1Br)OCO2 ZINC000217376053 523920271 /nfs/dbraw/zinc/92/02/71/523920271.db2.gz YYBYYKPUSUJIBG-NSHDSACASA-N 1 0 343.265 2.998 20 70 EFIDRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159654994 534859684 /nfs/dbraw/zinc/85/96/84/534859684.db2.gz GXELNMARNWUBLW-UHFFFAOYSA-N 1 0 334.508 2.866 20 70 EFIDRO NC(=O)c1cccc(C[NH2+]CCc2ccc(Br)s2)c1 ZINC000218139429 527080518 /nfs/dbraw/zinc/08/05/18/527080518.db2.gz XPFQDFNAHTZSIK-UHFFFAOYSA-N 1 0 339.258 2.942 20 70 EFIDRO CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160361850 527646593 /nfs/dbraw/zinc/64/65/93/527646593.db2.gz OYJCNSQSXGZKAE-INIZCTEOSA-N 1 0 331.460 2.554 20 70 EFIDRO CC[N@H+](CC(=O)N[C@H](c1ccco1)c1ccccc1OC)C1CC1 ZINC000159730442 527916484 /nfs/dbraw/zinc/91/64/84/527916484.db2.gz IOJGNRHJMQYFMW-IBGZPJMESA-N 1 0 328.412 2.978 20 70 EFIDRO CC(C)OCCC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000159754011 527938204 /nfs/dbraw/zinc/93/82/04/527938204.db2.gz MEZDTLCSBVIBHM-UHFFFAOYSA-N 1 0 338.517 2.934 20 70 EFIDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC(=O)c1ccc(C)cc1)CC2 ZINC000159798670 527959635 /nfs/dbraw/zinc/95/96/35/527959635.db2.gz RKLHQFOWOTZIPI-RBUKOAKNSA-N 1 0 331.456 2.820 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000159412786 528018659 /nfs/dbraw/zinc/01/86/59/528018659.db2.gz DSTIMJYHWCYKRK-INIZCTEOSA-N 1 0 345.487 2.843 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000159446693 528019724 /nfs/dbraw/zinc/01/97/24/528019724.db2.gz SMKFFRFZSCOYAD-INIZCTEOSA-N 1 0 345.487 2.843 20 70 EFIDRO CCC[C@H](C)[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160341689 528064684 /nfs/dbraw/zinc/06/46/84/528064684.db2.gz NMUSGMMHOAARPK-RDJZCZTQSA-N 1 0 336.476 2.855 20 70 EFIDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160894900 528191776 /nfs/dbraw/zinc/19/17/76/528191776.db2.gz KXFYDOXZJAXQQJ-UHFFFAOYSA-N 1 0 347.385 2.784 20 70 EFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000159389197 528224250 /nfs/dbraw/zinc/22/42/50/528224250.db2.gz KBHBCKDXMCBKPL-GOEBONIOSA-N 1 0 340.489 2.547 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccco1 ZINC000159591797 528276132 /nfs/dbraw/zinc/27/61/32/528276132.db2.gz YRYWIHPHGPJZLA-NUJGCVRESA-N 1 0 349.475 2.919 20 70 EFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H]1CCN(C(C)C)C1=O ZINC000160024784 528348841 /nfs/dbraw/zinc/34/88/41/528348841.db2.gz RJNYDYFIJXBJTB-GOSISDBHSA-N 1 0 344.503 2.629 20 70 EFIDRO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000160364382 528389493 /nfs/dbraw/zinc/38/94/93/528389493.db2.gz LMCUMGCSJJOMEY-GFCCVEGCSA-N 1 0 326.872 2.801 20 70 EFIDRO CCC(=O)N[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000159707720 528394560 /nfs/dbraw/zinc/39/45/60/528394560.db2.gz PZCMODCUPADZEW-LJQANCHMSA-N 1 0 345.487 2.683 20 70 EFIDRO CCCCNC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160032686 528523277 /nfs/dbraw/zinc/52/32/77/528523277.db2.gz ZVXHIDCXQLFBRM-QGZVFWFLSA-N 1 0 346.519 2.925 20 70 EFIDRO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000160110548 528611445 /nfs/dbraw/zinc/61/14/45/528611445.db2.gz XRONAPJCURZYDP-UONOGXRCSA-N 1 0 336.398 2.821 20 70 EFIDRO CCCCOc1c(Cl)cc(C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000160298070 528653593 /nfs/dbraw/zinc/65/35/93/528653593.db2.gz QALZSBDNEDTBHL-GFCCVEGCSA-N 1 0 326.824 2.701 20 70 EFIDRO CCOCCN(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160005534 528719784 /nfs/dbraw/zinc/71/97/84/528719784.db2.gz ADUHMLHECHKEIV-FUHWJXTLSA-N 1 0 333.476 2.575 20 70 EFIDRO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159503428 528757098 /nfs/dbraw/zinc/75/70/98/528757098.db2.gz JASOOGMGTOOVFO-JQHSSLGASA-N 1 0 348.487 2.745 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000159822632 528893862 /nfs/dbraw/zinc/89/38/62/528893862.db2.gz HMLOTSVBZNSDBV-GOSISDBHSA-N 1 0 349.519 2.770 20 70 EFIDRO CC(C)[C@H](C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)[NH+](C)C ZINC000160132169 528920411 /nfs/dbraw/zinc/92/04/11/528920411.db2.gz PYTFPYXMVKRNOZ-GXTWGEPZSA-N 1 0 333.259 2.729 20 70 EFIDRO CCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000159560947 528970568 /nfs/dbraw/zinc/97/05/68/528970568.db2.gz VVEOIAKFNYCLPP-SWLSCSKDSA-N 1 0 344.377 2.993 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(-c3ccccc3)on2)CC1 ZINC000159803924 529027682 /nfs/dbraw/zinc/02/76/82/529027682.db2.gz LECLQFIDZZSZEB-UHFFFAOYSA-N 1 0 328.416 2.579 20 70 EFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000160330236 529080394 /nfs/dbraw/zinc/08/03/94/529080394.db2.gz XUNPETMIVWCDDR-OAHLLOKOSA-N 1 0 342.443 2.608 20 70 EFIDRO CC[NH+]1CCC(N(C)C(=O)/C=C\c2ccc(OC)cc2OC)CC1 ZINC000218150184 545559802 /nfs/dbraw/zinc/55/98/02/545559802.db2.gz IJXTVWUPDIBGGT-CLFYSBASSA-N 1 0 332.444 2.660 20 70 EFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cc(Br)ccc31)CC2 ZINC000160337061 282119098 /nfs/dbraw/zinc/11/90/98/282119098.db2.gz QFNPNRAYMPCCNP-ZFWWWQNUSA-N 1 0 347.260 2.941 20 70 EFIDRO Cc1ncc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c(C)n1 ZINC000160451357 282165726 /nfs/dbraw/zinc/16/57/26/282165726.db2.gz ZIVHKGMAUUBJOE-HNNXBMFYSA-N 1 0 340.471 2.776 20 70 EFIDRO CC[C@H]([NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CC1 ZINC000160367682 529619624 /nfs/dbraw/zinc/61/96/24/529619624.db2.gz YAZAYLWJSQGFER-ZWKOTPCHSA-N 1 0 348.487 2.855 20 70 EFIDRO C[N@H+](CCCNC(=O)c1ccnc(-n2cccn2)c1)C1CCCCC1 ZINC000159442729 529891443 /nfs/dbraw/zinc/89/14/43/529891443.db2.gz SCKZGPSNPNVKDF-UHFFFAOYSA-N 1 0 341.459 2.652 20 70 EFIDRO CN(CC[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1 ZINC000160087404 529903905 /nfs/dbraw/zinc/90/39/05/529903905.db2.gz HMZKZOWUMUERFT-OAHLLOKOSA-N 1 0 343.393 2.608 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000161318044 530003186 /nfs/dbraw/zinc/00/31/86/530003186.db2.gz FWRGKNUHPKPXLY-CQSZACIVSA-N 1 0 333.432 2.697 20 70 EFIDRO C[NH+]1CCC(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000159855146 530050319 /nfs/dbraw/zinc/05/03/19/530050319.db2.gz XBLFFHXJTCZVPZ-UHFFFAOYSA-N 1 0 333.432 2.858 20 70 EFIDRO C[NH+]1CCC(N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC000159569640 530050623 /nfs/dbraw/zinc/05/06/23/530050623.db2.gz GDNRGLBTWOPZNC-HXUWFJFHSA-N 1 0 337.467 2.920 20 70 EFIDRO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCc4cc(F)ccc43)C2=O)n1 ZINC000159542286 282714168 /nfs/dbraw/zinc/71/41/68/282714168.db2.gz QLPLJNNAGOFHNX-SJORKVTESA-N 1 0 342.418 2.722 20 70 EFIDRO C[C@]1(O)CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000159763625 239035381 /nfs/dbraw/zinc/03/53/81/239035381.db2.gz YEYXMHLBYTVIDC-SFHVURJKSA-N 1 0 337.508 2.732 20 70 EFIDRO O=C(COc1ccc(Cl)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159878834 239037244 /nfs/dbraw/zinc/03/72/44/239037244.db2.gz MIMXFZMGGZZJFV-TXEJJXNPSA-N 1 0 329.227 2.725 20 70 EFIDRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)n1 ZINC000160078781 239041418 /nfs/dbraw/zinc/04/14/18/239041418.db2.gz QNKFNVHHNVZALY-MRXNPFEDSA-N 1 0 341.459 2.989 20 70 EFIDRO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)n1 ZINC000160078657 239042131 /nfs/dbraw/zinc/04/21/31/239042131.db2.gz QNKFNVHHNVZALY-INIZCTEOSA-N 1 0 341.459 2.989 20 70 EFIDRO Cc1ccc(C(C)(C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160340338 239048652 /nfs/dbraw/zinc/04/86/52/239048652.db2.gz NUOMNRXPYIBVOJ-GOSISDBHSA-N 1 0 332.488 2.626 20 70 EFIDRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161472458 296103072 /nfs/dbraw/zinc/10/30/72/296103072.db2.gz YAFBHQUERMYFSA-BFUOFWGJSA-N 1 0 344.459 2.537 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)C1 ZINC000160771944 532967696 /nfs/dbraw/zinc/96/76/96/532967696.db2.gz SVHWHJODIMTUQL-VQIMIIECSA-N 1 0 338.451 2.865 20 70 EFIDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCSC2)ccc1S(C)(=O)=O ZINC000159576568 533131560 /nfs/dbraw/zinc/13/15/60/533131560.db2.gz VQNVRANHONZKIQ-WCQYABFASA-N 1 0 329.487 2.645 20 70 EFIDRO C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000160225716 533245898 /nfs/dbraw/zinc/24/58/98/533245898.db2.gz NFPIWGSRDGYCPC-ZMYBRWDISA-N 1 0 348.462 2.813 20 70 EFIDRO COC(=O)CCCOc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000159830860 533395502 /nfs/dbraw/zinc/39/55/02/533395502.db2.gz FGVWDVGDCICOIP-UHFFFAOYSA-N 1 0 334.416 2.619 20 70 EFIDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160095280 533409477 /nfs/dbraw/zinc/40/94/77/533409477.db2.gz BPFROOOPXUEGGP-KSSFIOAISA-N 1 0 332.469 2.987 20 70 EFIDRO COc1cccc(C2(NC(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC000160304849 533437546 /nfs/dbraw/zinc/43/75/46/533437546.db2.gz KEQQXAQLISQKCQ-OAHLLOKOSA-N 1 0 331.460 2.858 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000160059836 533609655 /nfs/dbraw/zinc/60/96/55/533609655.db2.gz BDVAHZHNXCJPBJ-VQIMIIECSA-N 1 0 338.455 2.886 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000161103442 286670539 /nfs/dbraw/zinc/67/05/39/286670539.db2.gz DVRISQMOSVKOSK-BBWFWOEESA-N 1 0 336.501 2.659 20 70 EFIDRO COc1ccc(C(C)(C)C(=O)NCC2([NH3+])CCCCC2)cc1OC ZINC000159503039 225230366 /nfs/dbraw/zinc/23/03/66/225230366.db2.gz KUYXWVFZCZMSQE-UHFFFAOYSA-N 1 0 334.460 2.759 20 70 EFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000159538721 225236199 /nfs/dbraw/zinc/23/61/99/225236199.db2.gz WKKAUVGVPJGTLO-KRWDZBQOSA-N 1 0 338.455 2.985 20 70 EFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000159538870 225236340 /nfs/dbraw/zinc/23/63/40/225236340.db2.gz WKKAUVGVPJGTLO-QGZVFWFLSA-N 1 0 338.455 2.985 20 70 EFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000159452347 225220222 /nfs/dbraw/zinc/22/02/22/225220222.db2.gz JXGDNLBPDRYNCQ-CYPOEUFGSA-N 1 0 336.863 2.906 20 70 EFIDRO COc1cccc(C2(CNC(=O)[C@H]([NH3+])CCSC)CCCC2)c1 ZINC000159477651 225224839 /nfs/dbraw/zinc/22/48/39/225224839.db2.gz ZCTPUEXPOGIZTP-MRXNPFEDSA-N 1 0 336.501 2.704 20 70 EFIDRO COc1ccc(OCCCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159738077 225268611 /nfs/dbraw/zinc/26/86/11/225268611.db2.gz GRHHCHRPBLKEHG-UHFFFAOYSA-N 1 0 346.471 2.845 20 70 EFIDRO NC(=O)CC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000159770418 225273710 /nfs/dbraw/zinc/27/37/10/225273710.db2.gz WFOAEHWPGXDLTO-UHFFFAOYSA-N 1 0 339.439 2.748 20 70 EFIDRO COC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000159796691 225280507 /nfs/dbraw/zinc/28/05/07/225280507.db2.gz KIJPDOBAIDIAGB-RHSMWYFYSA-N 1 0 333.476 2.840 20 70 EFIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000159843451 225288126 /nfs/dbraw/zinc/28/81/26/225288126.db2.gz LZEJYCFNHVOYBN-BEFAXECRSA-N 1 0 328.456 2.556 20 70 EFIDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000159909194 225300438 /nfs/dbraw/zinc/30/04/38/225300438.db2.gz LBVVRBBQRZBRJH-UHFFFAOYSA-N 1 0 332.366 2.832 20 70 EFIDRO C[C@H](Sc1ccncc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159939341 225307374 /nfs/dbraw/zinc/30/73/74/225307374.db2.gz SMIXZKQDIIGHPE-RDJZCZTQSA-N 1 0 341.480 2.953 20 70 EFIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NCC(C)(C)[NH3+] ZINC000159954496 225308451 /nfs/dbraw/zinc/30/84/51/225308451.db2.gz NSUIOUURWSXJJW-UHFFFAOYSA-N 1 0 337.427 2.585 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CCSC1 ZINC000160024485 225320868 /nfs/dbraw/zinc/32/08/68/225320868.db2.gz LBFIFVKEULMJJG-UAGQMJEPSA-N 1 0 333.501 2.654 20 70 EFIDRO COC1(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)CC[NH2+]CC1 ZINC000159567493 225241175 /nfs/dbraw/zinc/24/11/75/225241175.db2.gz FHNFCFAHNJBZFZ-UHFFFAOYSA-N 1 0 346.349 2.643 20 70 EFIDRO COc1cc([C@H](C)[NH2+][C@H]2CCCSC2)ccc1S(C)(=O)=O ZINC000159576830 225244058 /nfs/dbraw/zinc/24/40/58/225244058.db2.gz VQNVRANHONZKIQ-AAEUAGOBSA-N 1 0 329.487 2.645 20 70 EFIDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000159596641 225246155 /nfs/dbraw/zinc/24/61/55/225246155.db2.gz WUONVCTZKUBABU-NSHDSACASA-N 1 0 348.390 2.966 20 70 EFIDRO COC1(C(=O)Nc2ccc(COC3CCCC3)cc2)CC[NH2+]CC1 ZINC000159603368 225247443 /nfs/dbraw/zinc/24/74/43/225247443.db2.gz DWYQKTHWSKLIBP-UHFFFAOYSA-N 1 0 332.444 2.853 20 70 EFIDRO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000159653825 225254557 /nfs/dbraw/zinc/25/45/57/225254557.db2.gz BTWJIJQXZAMIAG-MFKMUULPSA-N 1 0 343.290 2.798 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CSCCS1)c1ccc(F)cc1 ZINC000159658394 225256356 /nfs/dbraw/zinc/25/63/56/225256356.db2.gz HVFXAYHQNRYPIF-CABCVRRESA-N 1 0 342.505 2.783 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(C(N)=O)cc1Cl ZINC000160243247 225369531 /nfs/dbraw/zinc/36/95/31/225369531.db2.gz AKEQFGUOCLWWDT-WBMJQRKESA-N 1 0 344.846 2.766 20 70 EFIDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000160287607 225380417 /nfs/dbraw/zinc/38/04/17/225380417.db2.gz IJLYEGMCDOOAAV-LPHOPBHVSA-N 1 0 338.455 2.886 20 70 EFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160288333 225382005 /nfs/dbraw/zinc/38/20/05/225382005.db2.gz WGDOILIIWOWFTJ-CRAIPNDOSA-N 1 0 347.459 2.850 20 70 EFIDRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1/C=C/C(=O)NCCC[NH3+] ZINC000160097931 225337073 /nfs/dbraw/zinc/33/70/73/225337073.db2.gz IVVXQRAGTNPRTF-CMDGGOBGSA-N 1 0 346.862 2.680 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000160127779 225343315 /nfs/dbraw/zinc/34/33/15/225343315.db2.gz SSJKMJCOWJZABU-QGZVFWFLSA-N 1 0 348.450 2.908 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000160127870 225343400 /nfs/dbraw/zinc/34/34/00/225343400.db2.gz SSJKMJCOWJZABU-KRWDZBQOSA-N 1 0 348.450 2.908 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000160184475 225356598 /nfs/dbraw/zinc/35/65/98/225356598.db2.gz PNEKUFZXBZYDDM-QWHCGFSZSA-N 1 0 342.892 2.899 20 70 EFIDRO O=C(/C=C/c1cccc(F)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160716540 225459390 /nfs/dbraw/zinc/45/93/90/225459390.db2.gz VUYQJEUOMNHUCT-VANUVFSVSA-N 1 0 346.446 2.723 20 70 EFIDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000160542349 225430549 /nfs/dbraw/zinc/43/05/49/225430549.db2.gz KGZVZTQGLOVBNF-SECBINFHSA-N 1 0 340.292 2.926 20 70 EFIDRO C[C@@H](NC(=O)Nc1ccccc1OC(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000159814075 544799153 /nfs/dbraw/zinc/79/91/53/544799153.db2.gz FHXVEWMXOGCYRL-CJNGLKHVSA-N 1 0 335.448 2.705 20 70 EFIDRO C[C@@H](NC(=O)Nc1ccccc1OC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000159814340 544799766 /nfs/dbraw/zinc/79/97/66/544799766.db2.gz FHXVEWMXOGCYRL-CZUORRHYSA-N 1 0 335.448 2.705 20 70 EFIDRO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1cccc(-n2cnnn2)c1 ZINC000160387038 544805433 /nfs/dbraw/zinc/80/54/33/544805433.db2.gz SBNPHQOIZUNZDO-DNVCBOLYSA-N 1 0 342.491 2.823 20 70 EFIDRO CC[NH+](CC)CCNC(=O)NC[C@H](OC)c1ccccc1Cl ZINC000160637539 544807833 /nfs/dbraw/zinc/80/78/33/544807833.db2.gz SGEKPGINXPPQAP-HNNXBMFYSA-N 1 0 327.856 2.669 20 70 EFIDRO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161385266 544813019 /nfs/dbraw/zinc/81/30/19/544813019.db2.gz HOKJBWOQQPSJJK-QGZVFWFLSA-N 1 0 338.455 2.848 20 70 EFIDRO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161376038 544813269 /nfs/dbraw/zinc/81/32/69/544813269.db2.gz KHAGWWCJGDIEBO-KRWDZBQOSA-N 1 0 338.455 2.848 20 70 EFIDRO C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161375380 544813485 /nfs/dbraw/zinc/81/34/85/544813485.db2.gz JDGYFHVAGXGJMC-AWEZNQCLSA-N 1 0 344.846 2.884 20 70 EFIDRO Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000161383559 544813732 /nfs/dbraw/zinc/81/37/32/544813732.db2.gz YIVCBCTZMTVNJJ-OAHLLOKOSA-N 1 0 342.418 2.678 20 70 EFIDRO Cc1ccc(NC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000161383651 544814004 /nfs/dbraw/zinc/81/40/04/544814004.db2.gz YIVCBCTZMTVNJJ-HNNXBMFYSA-N 1 0 342.418 2.678 20 70 EFIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)cc1Cl ZINC000161396760 544814118 /nfs/dbraw/zinc/81/41/18/544814118.db2.gz USKGOXHDHUHTNO-UHFFFAOYSA-N 1 0 348.809 2.635 20 70 EFIDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccnc(C)c1Cl ZINC000159725900 544798501 /nfs/dbraw/zinc/79/85/01/544798501.db2.gz HPWVYFMJTHWWFZ-UHFFFAOYSA-N 1 0 342.871 2.866 20 70 EFIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000160224399 274958557 /nfs/dbraw/zinc/95/85/57/274958557.db2.gz OLDNCNQUYWBCAE-MGPQQGTHSA-N 1 0 327.453 2.906 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC000161286586 277284788 /nfs/dbraw/zinc/28/47/88/277284788.db2.gz JDZJWKXAVDRIIL-NWDGAFQWSA-N 1 0 330.350 2.683 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160750356 277566601 /nfs/dbraw/zinc/56/66/01/277566601.db2.gz ZOQXJESAEQVOHG-MSOLQXFVSA-N 1 0 333.476 2.888 20 70 EFIDRO CO[C@H]1CCN(Cc2ccc(C)cc2Br)[C@@H](C[NH3+])C1 ZINC000160999119 277744275 /nfs/dbraw/zinc/74/42/75/277744275.db2.gz YXUOJXQDZUZEDL-KGLIPLIRSA-N 1 0 327.266 2.696 20 70 EFIDRO CCO[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000160712646 279926146 /nfs/dbraw/zinc/92/61/46/279926146.db2.gz ORFKZQWVUWAWAB-IRXDYDNUSA-N 1 0 337.508 2.848 20 70 EFIDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(=O)n3C)cc2)C1 ZINC000159998210 533691672 /nfs/dbraw/zinc/69/16/72/533691672.db2.gz OZIGGBFCJQOODE-OAHLLOKOSA-N 1 0 339.439 2.870 20 70 EFIDRO CCC(CC)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160235128 282044146 /nfs/dbraw/zinc/04/41/46/282044146.db2.gz RUPUGOZBSAZXSZ-SFHVURJKSA-N 1 0 332.488 2.707 20 70 EFIDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000160397830 289948456 /nfs/dbraw/zinc/94/84/56/289948456.db2.gz FYFVHOPPEOYRDX-HNNXBMFYSA-N 1 0 345.418 2.808 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000160222338 295269162 /nfs/dbraw/zinc/26/91/62/295269162.db2.gz QPIPOYFXRHPKLV-CQSZACIVSA-N 1 0 333.819 2.877 20 70 EFIDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCc1cscn1 ZINC000159389750 310686640 /nfs/dbraw/zinc/68/66/40/310686640.db2.gz UENIFURAOFWGSS-UHFFFAOYSA-N 1 0 338.521 2.839 20 70 EFIDRO C[C@@H]1CCC[C@](CNC(=O)N(C)CC2CCOCC2)([NH+](C)C)C1 ZINC000159765246 310691427 /nfs/dbraw/zinc/69/14/27/310691427.db2.gz BKYZOAZFTZELAB-QAPCUYQASA-N 1 0 325.497 2.565 20 70 EFIDRO Cc1cnccc1CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000159883614 310692433 /nfs/dbraw/zinc/69/24/33/310692433.db2.gz GFIBMLMQFLCQNE-KXBFYZLASA-N 1 0 332.492 2.742 20 70 EFIDRO Cc1cnccc1CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000159884020 310692628 /nfs/dbraw/zinc/69/26/28/310692628.db2.gz GFIBMLMQFLCQNE-DNVCBOLYSA-N 1 0 332.492 2.742 20 70 EFIDRO CO[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccccc1 ZINC000159935365 310693044 /nfs/dbraw/zinc/69/30/44/310693044.db2.gz ZLRGTXJSHLESBO-GOSISDBHSA-N 1 0 333.476 2.890 20 70 EFIDRO COc1ccc2oc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)cc2c1 ZINC000160234010 310696421 /nfs/dbraw/zinc/69/64/21/310696421.db2.gz UOHHYHNRIPGOQP-INIZCTEOSA-N 1 0 333.351 2.887 20 70 EFIDRO COC[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000160941028 310703998 /nfs/dbraw/zinc/70/39/98/310703998.db2.gz YMXPORFWDVIFQN-GOSISDBHSA-N 1 0 337.508 2.709 20 70 EFIDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161098319 310705985 /nfs/dbraw/zinc/70/59/85/310705985.db2.gz WRTZXGAFWKNWIF-FXAWDEMLSA-N 1 0 340.467 2.837 20 70 EFIDRO CCOC(=O)CCCCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161403557 310708574 /nfs/dbraw/zinc/70/85/74/310708574.db2.gz RROIGUQDXBMRPU-AWEZNQCLSA-N 1 0 325.371 2.745 20 70 EFIDRO Cc1nccn1C[C@@H](C)CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161407395 310709024 /nfs/dbraw/zinc/70/90/24/310709024.db2.gz HVUGQNAYKQCYIY-INIZCTEOSA-N 1 0 349.523 2.591 20 70 EFIDRO COc1ccc(COCCC[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161417810 533717476 /nfs/dbraw/zinc/71/74/76/533717476.db2.gz SUNAGCKIIIYBLR-UHFFFAOYSA-N 1 0 334.460 2.639 20 70 EFIDRO [NH3+]CC[C@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 ZINC000161098958 473206007 /nfs/dbraw/zinc/20/60/07/473206007.db2.gz YYRSSMAXLSHFRC-SNVBAGLBSA-N 1 0 329.213 2.789 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000161101075 473206908 /nfs/dbraw/zinc/20/69/08/473206908.db2.gz INWUKNORPXOUGL-KBXCAEBGSA-N 1 0 343.471 2.743 20 70 EFIDRO CO[C@@H]1CCN(Cc2ccc(Br)c(C)c2)[C@@H](C[NH3+])C1 ZINC000161026016 473199762 /nfs/dbraw/zinc/19/97/62/473199762.db2.gz MIBKZMSWKWDCTR-ZIAGYGMSSA-N 1 0 327.266 2.696 20 70 EFIDRO CC(C)(C)[C@H](CCO)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000161109953 473207452 /nfs/dbraw/zinc/20/74/52/473207452.db2.gz ATXLJNISVCSRAU-ROUUACIJSA-N 1 0 347.503 2.920 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2c(C)c3ccccc3oc2=O)CC1 ZINC000161112724 473208519 /nfs/dbraw/zinc/20/85/19/473208519.db2.gz ANZUGJBADGZAPK-UHFFFAOYSA-N 1 0 328.412 2.563 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1CO)CC(C)C ZINC000161123681 473209543 /nfs/dbraw/zinc/20/95/43/473209543.db2.gz ZLMJUEMAMMAGMW-SFHVURJKSA-N 1 0 335.492 2.735 20 70 EFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCO[C@H](c2cccs2)C1 ZINC000161126651 473210483 /nfs/dbraw/zinc/21/04/83/473210483.db2.gz MLSZUHLVJCXOAC-HOCLYGCPSA-N 1 0 349.500 2.848 20 70 EFIDRO C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)Oc1cccc(F)c1 ZINC000161151958 473212445 /nfs/dbraw/zinc/21/24/45/473212445.db2.gz OLWIEIPOOZHIFU-UGSOOPFHSA-N 1 0 328.387 2.596 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000161153838 473212551 /nfs/dbraw/zinc/21/25/51/473212551.db2.gz CYWHBHOEHKKEPW-CQSZACIVSA-N 1 0 332.375 2.822 20 70 EFIDRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000161170431 473213901 /nfs/dbraw/zinc/21/39/01/473213901.db2.gz JNMRRNHBROBDDO-KRWDZBQOSA-N 1 0 330.472 2.784 20 70 EFIDRO COCC[N@H+](C)CCNC(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000161176735 473215316 /nfs/dbraw/zinc/21/53/16/473215316.db2.gz VELGGMYYWZXGNL-UHFFFAOYSA-N 1 0 333.259 2.620 20 70 EFIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000161195388 473216383 /nfs/dbraw/zinc/21/63/83/473216383.db2.gz KCEYQWDOPKKCCD-HLLBOEOZSA-N 1 0 336.476 2.854 20 70 EFIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCc1nc(C(F)(F)F)cs1 ZINC000161205015 473217027 /nfs/dbraw/zinc/21/70/27/473217027.db2.gz WESGXKGFMAJSGF-FGWVZKOKSA-N 1 0 347.406 2.741 20 70 EFIDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1OC ZINC000161221880 473218566 /nfs/dbraw/zinc/21/85/66/473218566.db2.gz CLSRBEFMWSUXCP-ZIAGYGMSSA-N 1 0 333.432 2.866 20 70 EFIDRO CC(C)NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161229533 473218600 /nfs/dbraw/zinc/21/86/00/473218600.db2.gz RFNPSWRIUDAFRM-UHFFFAOYSA-N 1 0 332.423 2.605 20 70 EFIDRO CCN(c1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1)C(C)C ZINC000161224809 473218648 /nfs/dbraw/zinc/21/86/48/473218648.db2.gz KCYUKGUBRSZCCC-RDJZCZTQSA-N 1 0 332.492 2.775 20 70 EFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000161231225 473218666 /nfs/dbraw/zinc/21/86/66/473218666.db2.gz XWOCLXZOOGGTJU-UHFFFAOYSA-N 1 0 343.475 2.912 20 70 EFIDRO CC(C)c1nc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1-c1cccc(F)c1 ZINC000161243144 473220209 /nfs/dbraw/zinc/22/02/09/473220209.db2.gz GGKKEWZQXXLQKM-KGLIPLIRSA-N 1 0 345.422 2.530 20 70 EFIDRO CC(C)c1nc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1-c1cccc(F)c1 ZINC000161242754 473220273 /nfs/dbraw/zinc/22/02/73/473220273.db2.gz GGKKEWZQXXLQKM-UONOGXRCSA-N 1 0 345.422 2.530 20 70 EFIDRO CC[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)N1CCc2ccccc2C1 ZINC000161255384 473220604 /nfs/dbraw/zinc/22/06/04/473220604.db2.gz JTTJTNPLBIMAEW-CBNMVNINSA-N 1 0 343.515 2.860 20 70 EFIDRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000161258998 473220991 /nfs/dbraw/zinc/22/09/91/473220991.db2.gz BMJCPFXLCCHOQN-RYUDHWBXSA-N 1 0 325.250 2.621 20 70 EFIDRO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)CC2([NH3+])CCC2)cc1 ZINC000161254310 473221022 /nfs/dbraw/zinc/22/10/22/473221022.db2.gz DULNORLFPXBJIM-GOSISDBHSA-N 1 0 330.472 2.817 20 70 EFIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000161260135 473221435 /nfs/dbraw/zinc/22/14/35/473221435.db2.gz NKJWLBCXUDGAOW-CYBMUJFWSA-N 1 0 332.835 2.516 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000161293659 473225137 /nfs/dbraw/zinc/22/51/37/473225137.db2.gz FECHJDOTHGVYAN-UHFFFAOYSA-N 1 0 328.460 2.655 20 70 EFIDRO Cc1cc(C(=O)NC2CCN(CCC[NH+]3CCCCC3)CC2)c(C)o1 ZINC000161321063 473226155 /nfs/dbraw/zinc/22/61/55/473226155.db2.gz QPKDCDQERDKCGB-UHFFFAOYSA-N 1 0 347.503 2.967 20 70 EFIDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161330891 473226829 /nfs/dbraw/zinc/22/68/29/473226829.db2.gz QTILXTKOYRBCHE-IXDOHACOSA-N 1 0 347.507 2.657 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(CN3C[C@H](C)CC[C@@H]3C)nc(N)c21 ZINC000161340738 473227248 /nfs/dbraw/zinc/22/72/48/473227248.db2.gz RLXMESSKLRWWGD-MNOVXSKESA-N 1 0 346.431 2.911 20 70 EFIDRO CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000161332002 473227622 /nfs/dbraw/zinc/22/76/22/473227622.db2.gz PNNZILFPMQHQNP-HOTGVXAUSA-N 1 0 341.459 2.813 20 70 EFIDRO CC(=O)Nc1cccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161335259 473227716 /nfs/dbraw/zinc/22/77/16/473227716.db2.gz YHPWDMDEHKJEEE-OAHLLOKOSA-N 1 0 330.350 2.780 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CC[C@@H](C)[C@@H]3C)nc(N)c21 ZINC000161408515 473233321 /nfs/dbraw/zinc/23/33/21/473233321.db2.gz ZPOMJCUISINQFQ-ZJUUUORDSA-N 1 0 332.404 2.520 20 70 EFIDRO CC(=O)NC1CCC([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000161416100 473233996 /nfs/dbraw/zinc/23/39/96/473233996.db2.gz KAAVPGKQXIRKRG-UHFFFAOYSA-N 1 0 335.517 2.991 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)CC1 ZINC000161362190 473230141 /nfs/dbraw/zinc/23/01/41/473230141.db2.gz ZFOLGBFHHUJHHM-UHFFFAOYSA-N 1 0 344.434 2.857 20 70 EFIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000161394379 473231967 /nfs/dbraw/zinc/23/19/67/473231967.db2.gz ULJHOCSJTKODDK-GFCCVEGCSA-N 1 0 336.848 2.863 20 70 EFIDRO Cc1cc2ncn(C[C@H](O)Cn3ccc4occc4c3=O)c2cc1C ZINC000161391641 473232309 /nfs/dbraw/zinc/23/23/09/473232309.db2.gz XIPBMGGHNHUTAT-CQSZACIVSA-N 1 0 337.379 2.622 20 70 EFIDRO COc1ccccc1[C@H](CNC(=O)[C@H]1CCCCO1)[NH+]1CCCC1 ZINC000161402996 473232456 /nfs/dbraw/zinc/23/24/56/473232456.db2.gz LAWBCYVMTMDSON-FUHWJXTLSA-N 1 0 332.444 2.517 20 70 EFIDRO Cc1noc(Cl)c1CC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000161401579 473232524 /nfs/dbraw/zinc/23/25/24/473232524.db2.gz FEBBGSDZEQNSLD-OAHLLOKOSA-N 1 0 335.835 2.906 20 70 EFIDRO CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161428505 473234981 /nfs/dbraw/zinc/23/49/81/473234981.db2.gz ZQLDQYUVTNJRSR-WMZOPIPTSA-N 1 0 337.435 2.754 20 70 EFIDRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000161432070 473235521 /nfs/dbraw/zinc/23/55/21/473235521.db2.gz ZSHAIICNTFDCCC-NVXWUHKLSA-N 1 0 346.471 2.704 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000161440069 473235590 /nfs/dbraw/zinc/23/55/90/473235590.db2.gz ZAQFHGOLPDDASS-IAGOWNOFSA-N 1 0 325.412 2.660 20 70 EFIDRO Cc1ccsc1CCCC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000161459568 473236941 /nfs/dbraw/zinc/23/69/41/473236941.db2.gz FNGNDJCLQPIENG-UHFFFAOYSA-N 1 0 337.533 2.523 20 70 EFIDRO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161472572 473237729 /nfs/dbraw/zinc/23/77/29/473237729.db2.gz YAFBHQUERMYFSA-DJJJIMSYSA-N 1 0 344.459 2.537 20 70 EFIDRO C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161486712 473238700 /nfs/dbraw/zinc/23/87/00/473238700.db2.gz YLRITUDKMCFKNC-INIZCTEOSA-N 1 0 337.467 2.929 20 70 EFIDRO CC(C)Oc1cccc([C@H](O)C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161501995 473239585 /nfs/dbraw/zinc/23/95/85/473239585.db2.gz QYUYARZOJUIPBC-GOSISDBHSA-N 1 0 335.444 2.783 20 70 EFIDRO CS[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000161504375 473240873 /nfs/dbraw/zinc/24/08/73/473240873.db2.gz BAQOPUANOOSNOW-LBPRGKRZSA-N 1 0 330.444 2.997 20 70 EFIDRO O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccn1C1CC[NH2+]CC1 ZINC000159381688 473023038 /nfs/dbraw/zinc/02/30/38/473023038.db2.gz CLHQHJHKCQFRBW-CJNGLKHVSA-N 1 0 345.393 2.977 20 70 EFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000159383443 473023704 /nfs/dbraw/zinc/02/37/04/473023704.db2.gz DDJJSQLFNVSLKX-TZMCWYRMSA-N 1 0 332.286 2.811 20 70 EFIDRO CCCN(CC[NH+](C)C)C(=O)c1ccccc1COC1CCOCC1 ZINC000159394613 473024393 /nfs/dbraw/zinc/02/43/93/473024393.db2.gz XPDSSUAIBHCINT-UHFFFAOYSA-N 1 0 348.487 2.796 20 70 EFIDRO C[C@H](c1nc(Cc2ccccc2)no1)N1CC[NH+](CC2CC2)CC1 ZINC000159406902 473025679 /nfs/dbraw/zinc/02/56/79/473025679.db2.gz LGVGPNYYWPTSFF-OAHLLOKOSA-N 1 0 326.444 2.749 20 70 EFIDRO CCC(CC)c1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000159417847 473027431 /nfs/dbraw/zinc/02/74/31/473027431.db2.gz WHHINBRRWKRSLF-OKILXGFUSA-N 1 0 337.464 2.807 20 70 EFIDRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159442491 473028218 /nfs/dbraw/zinc/02/82/18/473028218.db2.gz RSCSFOHZVROCLM-APWZRJJASA-N 1 0 345.487 2.627 20 70 EFIDRO C[N@@H+](Cc1ccc(I)cc1)C[C@H]1CCC[C@@H]1O ZINC000159501721 473033047 /nfs/dbraw/zinc/03/30/47/473033047.db2.gz FINXVVCCTPORCV-OCCSQVGLSA-N 1 0 345.224 2.884 20 70 EFIDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc1)C(C)C ZINC000159539244 473037663 /nfs/dbraw/zinc/03/76/63/473037663.db2.gz FBTITAAQXPFLKT-QGZVFWFLSA-N 1 0 334.460 2.844 20 70 EFIDRO CC[N@H+](Cc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1)C1CC1 ZINC000159550077 473038535 /nfs/dbraw/zinc/03/85/35/473038535.db2.gz OUTYINLFFXCHBC-UHFFFAOYSA-N 1 0 325.412 2.920 20 70 EFIDRO CC[C@H](C)CS(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000159598376 473042313 /nfs/dbraw/zinc/04/23/13/473042313.db2.gz PGQVYKXLJPKZFA-XCRHUMRWSA-N 1 0 336.501 2.979 20 70 EFIDRO COCC[NH2+]CC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000159590383 473042451 /nfs/dbraw/zinc/04/24/51/473042451.db2.gz QDVMVRMELFELBW-UHFFFAOYSA-N 1 0 338.807 2.872 20 70 EFIDRO O=C(CN1CCO[C@@]2(CCc3ccccc32)C1)N1CCCCCC1 ZINC000159616325 473044417 /nfs/dbraw/zinc/04/44/17/473044417.db2.gz GXVWUCGDOHGYLT-FQEVSTJZSA-N 1 0 328.456 2.563 20 70 EFIDRO O=C(CN1CCO[C@]2(CCc3ccccc32)C1)N1CCCCCC1 ZINC000159616187 473044620 /nfs/dbraw/zinc/04/46/20/473044620.db2.gz GXVWUCGDOHGYLT-HXUWFJFHSA-N 1 0 328.456 2.563 20 70 EFIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000159643093 473046894 /nfs/dbraw/zinc/04/68/94/473046894.db2.gz LLNXTIIHGDFCCX-CQSZACIVSA-N 1 0 343.475 2.506 20 70 EFIDRO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C(=O)NC(C)(C)C ZINC000159731206 473054708 /nfs/dbraw/zinc/05/47/08/473054708.db2.gz BEOCYOVLWRUMRL-VIFPVBQESA-N 1 0 331.229 2.981 20 70 EFIDRO Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)C[C@@H]3CCC[C@@H]3O)C2=O)c1 ZINC000159743344 473056703 /nfs/dbraw/zinc/05/67/03/473056703.db2.gz LQSCASVVPILZDJ-ZVZYQTTQSA-N 1 0 334.435 2.722 20 70 EFIDRO CCOCCC1(CNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159754385 473058151 /nfs/dbraw/zinc/05/81/51/473058151.db2.gz BLBNLEKDUSQJCA-BBWFWOEESA-N 1 0 339.524 2.859 20 70 EFIDRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000159769231 473058907 /nfs/dbraw/zinc/05/89/07/473058907.db2.gz LIEPJANZFXQTDO-UHFFFAOYSA-N 1 0 332.835 2.818 20 70 EFIDRO C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1)[C@@H]1CCSC1 ZINC000159763163 473059389 /nfs/dbraw/zinc/05/93/89/473059389.db2.gz UAXWLCLIMVJYKU-KURKYZTESA-N 1 0 348.512 2.678 20 70 EFIDRO C[C@H]1CCC[C@](CNC(=O)N(C)CC2CCOCC2)([NH+](C)C)C1 ZINC000159765365 473059726 /nfs/dbraw/zinc/05/97/26/473059726.db2.gz BKYZOAZFTZELAB-YJBOKZPZSA-N 1 0 325.497 2.565 20 70 EFIDRO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159777163 473060926 /nfs/dbraw/zinc/06/09/26/473060926.db2.gz VROJOJDRTWLROT-MRXNPFEDSA-N 1 0 325.456 2.889 20 70 EFIDRO CCOc1cc(Cl)ccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159808596 473061865 /nfs/dbraw/zinc/06/18/65/473061865.db2.gz WUINPALNXLSVCP-ZDUSSCGKSA-N 1 0 339.867 2.880 20 70 EFIDRO O=C(c1cnc(-c2ccccn2)s1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159837414 473064799 /nfs/dbraw/zinc/06/47/99/473064799.db2.gz CQTOOEGAGQVUSS-UHFFFAOYSA-N 1 0 342.468 2.809 20 70 EFIDRO COc1cc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1OC(C)C ZINC000159836692 473064882 /nfs/dbraw/zinc/06/48/82/473064882.db2.gz BHXLLKHUIFKUFX-CJVCEKSSSA-N 1 0 344.455 2.849 20 70 EFIDRO CCC(CC)[C@@H](CNC(=O)N1CCC2(CCC2)C1)N1CCOCC1 ZINC000159884208 473068644 /nfs/dbraw/zinc/06/86/44/473068644.db2.gz MSTMPHMCBHIXTK-QGZVFWFLSA-N 1 0 337.508 2.709 20 70 EFIDRO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159871829 473068758 /nfs/dbraw/zinc/06/87/58/473068758.db2.gz NBVWJMMASYCINR-MJGOQNOKSA-N 1 0 344.499 2.707 20 70 EFIDRO Cc1cnccc1CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000159883747 473069207 /nfs/dbraw/zinc/06/92/07/473069207.db2.gz GFIBMLMQFLCQNE-HNAYVOBHSA-N 1 0 332.492 2.742 20 70 EFIDRO Brc1cccc(OCCSCCN2CCOCC2)c1 ZINC000159883326 473069276 /nfs/dbraw/zinc/06/92/76/473069276.db2.gz MEHPQVZDYRKLOM-UHFFFAOYSA-N 1 0 346.290 2.893 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2OCC2CC2)CC1 ZINC000159891970 473070290 /nfs/dbraw/zinc/07/02/90/473070290.db2.gz UQQOJOLHHNCEIX-UHFFFAOYSA-N 1 0 331.460 2.713 20 70 EFIDRO CC(C)C[C@H]1CCCCCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000159914315 473071330 /nfs/dbraw/zinc/07/13/30/473071330.db2.gz AAKCXJFPKMLADL-MRXNPFEDSA-N 1 0 333.480 2.634 20 70 EFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCCCCC1 ZINC000159933121 473073415 /nfs/dbraw/zinc/07/34/15/473073415.db2.gz QMOWTIMMQYFBAL-JKSUJKDBSA-N 1 0 341.459 2.709 20 70 EFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCCCCC1 ZINC000159932903 473073624 /nfs/dbraw/zinc/07/36/24/473073624.db2.gz QMOWTIMMQYFBAL-HOTGVXAUSA-N 1 0 341.459 2.709 20 70 EFIDRO CCO[C@H](CCNC(=O)N1CCC[N@H+](CC)CC1)C1CCCC1 ZINC000159941157 473074032 /nfs/dbraw/zinc/07/40/32/473074032.db2.gz IIYDUUONKUXJAD-QGZVFWFLSA-N 1 0 325.497 2.709 20 70 EFIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000159938585 473074162 /nfs/dbraw/zinc/07/41/62/473074162.db2.gz OPBGOXSKMOKWBF-HNNXBMFYSA-N 1 0 348.491 2.898 20 70 EFIDRO Cc1cnccc1CCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000159937186 473074276 /nfs/dbraw/zinc/07/42/76/473074276.db2.gz VSMMZIZYHLUJMX-UXLLHSPISA-N 1 0 332.492 2.598 20 70 EFIDRO CC[NH+](CC)[C@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000159974633 473077749 /nfs/dbraw/zinc/07/77/49/473077749.db2.gz DZYKIGVPUUIJCL-MAUKXSAKSA-N 1 0 333.451 2.737 20 70 EFIDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C(C)C)CC2)c(OC)c1 ZINC000159983782 473078744 /nfs/dbraw/zinc/07/87/44/473078744.db2.gz BFHZTMPQBLTRQS-AWEZNQCLSA-N 1 0 334.460 2.943 20 70 EFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@](C)(O)C1 ZINC000159989778 473079126 /nfs/dbraw/zinc/07/91/26/473079126.db2.gz CAJNQHAXAAAPAB-LJQANCHMSA-N 1 0 333.476 2.585 20 70 EFIDRO CCCNC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160003207 473080530 /nfs/dbraw/zinc/08/05/30/473080530.db2.gz XVZPMIJKKVGDRZ-INIZCTEOSA-N 1 0 332.492 2.535 20 70 EFIDRO C[C@@H](SCCN1CCOCC1)c1nnc(-c2cccs2)o1 ZINC000160013058 473080598 /nfs/dbraw/zinc/08/05/98/473080598.db2.gz NGMYUVKKGVCMOX-LLVKDONJSA-N 1 0 325.459 2.925 20 70 EFIDRO CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160005391 473080646 /nfs/dbraw/zinc/08/06/46/473080646.db2.gz MCCGDFJHTYZNFI-YTXYEVPYSA-N 1 0 347.503 2.603 20 70 EFIDRO CCCCCN(CCO)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160052752 473084571 /nfs/dbraw/zinc/08/45/71/473084571.db2.gz QXTJJWWMIDGCCW-IEBWSBKVSA-N 1 0 347.503 2.844 20 70 EFIDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000160105165 473088486 /nfs/dbraw/zinc/08/84/86/473088486.db2.gz GEVGDDLHLXAZLO-ZDUSSCGKSA-N 1 0 344.846 2.787 20 70 EFIDRO Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160145786 473091005 /nfs/dbraw/zinc/09/10/05/473091005.db2.gz CYRNRMZGELECDU-INIZCTEOSA-N 1 0 340.464 2.773 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000160170401 473093587 /nfs/dbraw/zinc/09/35/87/473093587.db2.gz SDGVHKSKZVNTQB-AWEZNQCLSA-N 1 0 328.503 2.696 20 70 EFIDRO CCCCn1ncc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000160195263 473094918 /nfs/dbraw/zinc/09/49/18/473094918.db2.gz UURBXKGIGBOSEH-NVXWUHKLSA-N 1 0 333.480 2.940 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)c1ccsc1 ZINC000160209937 473096216 /nfs/dbraw/zinc/09/62/16/473096216.db2.gz BBDCAORLVYIRFJ-LZWOXQAQSA-N 1 0 339.505 2.950 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)c1ccsc1 ZINC000160210082 473096451 /nfs/dbraw/zinc/09/64/51/473096451.db2.gz BBDCAORLVYIRFJ-SQWLQELKSA-N 1 0 339.505 2.950 20 70 EFIDRO COc1ccc2oc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)cc2c1 ZINC000160233877 473098900 /nfs/dbraw/zinc/09/89/00/473098900.db2.gz UOHHYHNRIPGOQP-MRXNPFEDSA-N 1 0 333.351 2.887 20 70 EFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000160248017 473100572 /nfs/dbraw/zinc/10/05/72/473100572.db2.gz PQBYJGACNJXUOD-CJNGLKHVSA-N 1 0 336.480 2.672 20 70 EFIDRO CC(=O)c1ccc(SCC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000160278323 473103285 /nfs/dbraw/zinc/10/32/85/473103285.db2.gz FWNRFBFGKVUWLA-CYBMUJFWSA-N 1 0 338.448 2.531 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000160273965 473104192 /nfs/dbraw/zinc/10/41/92/473104192.db2.gz PFKZOBHOIACDRP-FGTMMUONSA-N 1 0 339.524 2.955 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2ccccc2o1 ZINC000160294847 473105402 /nfs/dbraw/zinc/10/54/02/473105402.db2.gz SDAOBOQRJDKOQA-OAHLLOKOSA-N 1 0 336.457 2.832 20 70 EFIDRO CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2COC(=O)C2)c2ccccc2)CC1 ZINC000160321189 473108996 /nfs/dbraw/zinc/10/89/96/473108996.db2.gz UNWCVTXTUCKETQ-FUHWJXTLSA-N 1 0 344.455 2.529 20 70 EFIDRO C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160339095 473109550 /nfs/dbraw/zinc/10/95/50/473109550.db2.gz GQRGZPFCKFWAHZ-WBVHZDCISA-N 1 0 326.444 2.892 20 70 EFIDRO CCN(Cc1cnc2ccccn12)[C@@H]1CCN(c2ccccc2)C1=O ZINC000160338700 473109789 /nfs/dbraw/zinc/10/97/89/473109789.db2.gz SVYHEFKJNKAFRS-GOSISDBHSA-N 1 0 334.423 2.962 20 70 EFIDRO COc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)ccc1NC(C)=O ZINC000160355964 473111109 /nfs/dbraw/zinc/11/11/09/473111109.db2.gz NQYXFQXGOBOTPM-UHFFFAOYSA-N 1 0 341.411 2.968 20 70 EFIDRO COc1ccc([C@@H](C[NH2+][C@H](C)C2(C)CC2)N2CCOCC2)cc1OC ZINC000160361107 473112266 /nfs/dbraw/zinc/11/22/66/473112266.db2.gz RUUZDSXZJALKMX-NVXWUHKLSA-N 1 0 348.487 2.855 20 70 EFIDRO COc1cc(C)ccc1OCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160389786 473115178 /nfs/dbraw/zinc/11/51/78/473115178.db2.gz TWRPGEBGXWEXMP-MRXNPFEDSA-N 1 0 334.460 2.619 20 70 EFIDRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160389637 473116109 /nfs/dbraw/zinc/11/61/09/473116109.db2.gz JFFUHOBSPIKMAP-UZLBHIALSA-N 1 0 338.426 2.931 20 70 EFIDRO COCC1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160399909 473119048 /nfs/dbraw/zinc/11/90/48/473119048.db2.gz FDAUEAKGFSBEJI-LPHOPBHVSA-N 1 0 345.487 2.717 20 70 EFIDRO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(-n2cnnn2)cc1 ZINC000160422093 473120958 /nfs/dbraw/zinc/12/09/58/473120958.db2.gz QLFZEHUDCCBYGU-DNVCBOLYSA-N 1 0 342.491 2.823 20 70 EFIDRO C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)(C)C[NH+](C)C ZINC000160443783 473126328 /nfs/dbraw/zinc/12/63/28/473126328.db2.gz VHCNIMVVAGCYMA-SNVBAGLBSA-N 1 0 335.374 2.543 20 70 EFIDRO C[C@H](CN1CCOCC1)[N@H+](CCOCC1CC1)Cc1ccccc1 ZINC000160457722 473128554 /nfs/dbraw/zinc/12/85/54/473128554.db2.gz XGMWBBOUDTUSTM-GOSISDBHSA-N 1 0 332.488 2.636 20 70 EFIDRO CCOc1ccc(-c2nc(C(=O)N3CC[C@@H]([NH2+]C)C3)cs2)cc1 ZINC000160483295 473131160 /nfs/dbraw/zinc/13/11/60/473131160.db2.gz JMGFUHDBSGANIG-CYBMUJFWSA-N 1 0 331.441 2.643 20 70 EFIDRO Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160500673 473133724 /nfs/dbraw/zinc/13/37/24/473133724.db2.gz FAGZJDKJXVPMTI-HSBSLETESA-N 1 0 338.883 2.632 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000160501240 473134499 /nfs/dbraw/zinc/13/44/99/473134499.db2.gz SNJPWBXNWKDZHC-UHFFFAOYSA-N 1 0 347.438 2.777 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000160513043 473135787 /nfs/dbraw/zinc/13/57/87/473135787.db2.gz KJKLZXJZSWZTAY-UHFFFAOYSA-N 1 0 326.444 2.997 20 70 EFIDRO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](CC)C[C@@H](C)CC)CC1 ZINC000160513219 473135802 /nfs/dbraw/zinc/13/58/02/473135802.db2.gz AWUIDOPYCPJEBJ-GJZGRUSLSA-N 1 0 326.481 2.545 20 70 EFIDRO Cc1cc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)ccc1C(=O)N(C)C ZINC000160516841 473136482 /nfs/dbraw/zinc/13/64/82/473136482.db2.gz CZHLVOVDUYIGBB-KSSFIOAISA-N 1 0 339.439 2.971 20 70 EFIDRO Cc1cc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)ccc1C(=O)N(C)C ZINC000160518711 473136681 /nfs/dbraw/zinc/13/66/81/473136681.db2.gz KVJRPPAPPHBARU-ZDUSSCGKSA-N 1 0 331.460 2.661 20 70 EFIDRO O=C(C[NH2+][C@H]1CCCOc2c(Cl)cccc21)NCC(F)(F)F ZINC000160540771 473139125 /nfs/dbraw/zinc/13/91/25/473139125.db2.gz GTASYVJEIAAOSO-NSHDSACASA-N 1 0 336.741 2.822 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)C1 ZINC000160547329 473141087 /nfs/dbraw/zinc/14/10/87/473141087.db2.gz JPXVDHBWKQCJLE-CYBMUJFWSA-N 1 0 340.452 2.829 20 70 EFIDRO CC[NH+](CC)CCNC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000160553257 473142349 /nfs/dbraw/zinc/14/23/49/473142349.db2.gz IXGMQFMRPNZRAV-UHFFFAOYSA-N 1 0 332.366 2.628 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 ZINC000160562827 473143236 /nfs/dbraw/zinc/14/32/36/473143236.db2.gz PJKAULRWJOZLRU-CYBMUJFWSA-N 1 0 340.851 2.817 20 70 EFIDRO Cc1ccc(OC2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000160576691 473145478 /nfs/dbraw/zinc/14/54/78/473145478.db2.gz KCLAXFSKXMMJOE-MRXNPFEDSA-N 1 0 348.512 2.802 20 70 EFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)o1 ZINC000160603189 473148676 /nfs/dbraw/zinc/14/86/76/473148676.db2.gz ROFQQVZMPIYRSY-AEFFLSMTSA-N 1 0 349.475 2.619 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160635791 473155560 /nfs/dbraw/zinc/15/55/60/473155560.db2.gz FSSPNVUYRAMALD-QZTJIDSGSA-N 1 0 337.508 2.707 20 70 EFIDRO CCOc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160645449 473156807 /nfs/dbraw/zinc/15/68/07/473156807.db2.gz ZUBOQPRPJXFJRP-RTBURBONSA-N 1 0 346.471 2.583 20 70 EFIDRO CCO[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+](CC)CC)C12CCC2 ZINC000160661450 473157759 /nfs/dbraw/zinc/15/77/59/473157759.db2.gz OELAUWWHHUJBKC-CVEARBPZSA-N 1 0 325.497 2.707 20 70 EFIDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000160656347 473157916 /nfs/dbraw/zinc/15/79/16/473157916.db2.gz LCYSMRCQIOEGFR-BETUJISGSA-N 1 0 345.443 2.607 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160759319 473172184 /nfs/dbraw/zinc/17/21/84/473172184.db2.gz BNZBQLSQEVIXBT-LBPRGKRZSA-N 1 0 347.385 2.545 20 70 EFIDRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160765039 473172664 /nfs/dbraw/zinc/17/26/64/473172664.db2.gz BVHBUCXPQWTLIB-MELADBBJSA-N 1 0 329.448 2.710 20 70 EFIDRO O=C(/C=C/c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160768450 473174016 /nfs/dbraw/zinc/17/40/16/473174016.db2.gz ZMYXGLFLURTVRZ-MMKWGKFASA-N 1 0 328.456 2.584 20 70 EFIDRO C[C@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000160807537 473177504 /nfs/dbraw/zinc/17/75/04/473177504.db2.gz DWJAJQGTDHUUBR-HNNXBMFYSA-N 1 0 334.460 2.703 20 70 EFIDRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160818202 473178208 /nfs/dbraw/zinc/17/82/08/473178208.db2.gz XDQRAICTHVZVJG-QZTJIDSGSA-N 1 0 345.487 2.949 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000160822035 473178381 /nfs/dbraw/zinc/17/83/81/473178381.db2.gz PDYJVQXRAUTQFE-UHFFFAOYSA-N 1 0 330.335 2.871 20 70 EFIDRO Cc1c(NC(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1cc(C)ccc1C ZINC000160818373 473178431 /nfs/dbraw/zinc/17/84/31/473178431.db2.gz GMNFVFIQFAMREH-INIZCTEOSA-N 1 0 341.459 2.965 20 70 EFIDRO Cc1ccccc1-n1nc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2c1CCC2 ZINC000160835903 473181202 /nfs/dbraw/zinc/18/12/02/473181202.db2.gz MOGLGCYVTMEVLP-LSDHHAIUSA-N 1 0 338.455 2.669 20 70 EFIDRO COCCc1nsc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000160843077 473181682 /nfs/dbraw/zinc/18/16/82/473181682.db2.gz JNVDYRSANSANFY-HIFRSBDPSA-N 1 0 332.473 2.802 20 70 EFIDRO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC[NH2+]CC1 ZINC000160848833 473181950 /nfs/dbraw/zinc/18/19/50/473181950.db2.gz NSEQEBQZVJEWLI-HNNXBMFYSA-N 1 0 339.439 2.666 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccc(Br)cc2F)C1 ZINC000160839958 473182255 /nfs/dbraw/zinc/18/22/55/473182255.db2.gz UCOKKKDOFAFNQV-CHWSQXEVSA-N 1 0 343.240 2.907 20 70 EFIDRO Cc1c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1CC(C)C ZINC000160857918 473183560 /nfs/dbraw/zinc/18/35/60/473183560.db2.gz WDJSEWLKPGATQN-XHSDSOJGSA-N 1 0 334.508 2.944 20 70 EFIDRO CC[C@H]([NH2+]CC(=O)N(C)CCc1ccccn1)c1ccc(F)cc1 ZINC000160873772 473185704 /nfs/dbraw/zinc/18/57/04/473185704.db2.gz RTPNUXMTIBHHLR-SFHVURJKSA-N 1 0 329.419 2.963 20 70 EFIDRO CCO[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000160868770 473186227 /nfs/dbraw/zinc/18/62/27/473186227.db2.gz AMJLSPLNPCPLFG-IRXDYDNUSA-N 1 0 335.492 2.602 20 70 EFIDRO CCCO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160879093 473186653 /nfs/dbraw/zinc/18/66/53/473186653.db2.gz HDZYHVMGDAKNSH-SJLPKXTDSA-N 1 0 337.508 2.994 20 70 EFIDRO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000160882492 473187480 /nfs/dbraw/zinc/18/74/80/473187480.db2.gz VXBYEZDZXBRSNP-RTBURBONSA-N 1 0 343.471 2.644 20 70 EFIDRO CCC(CC)N(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160897220 473188161 /nfs/dbraw/zinc/18/81/61/473188161.db2.gz DDRSFWBNSAXOGL-HNNXBMFYSA-N 1 0 325.497 2.850 20 70 EFIDRO CCC(CC)N(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160897107 473188593 /nfs/dbraw/zinc/18/85/93/473188593.db2.gz DDRSFWBNSAXOGL-OAHLLOKOSA-N 1 0 325.497 2.850 20 70 EFIDRO CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160907235 473189954 /nfs/dbraw/zinc/18/99/54/473189954.db2.gz IBTAKCYVXQINEU-HNNXBMFYSA-N 1 0 345.443 2.574 20 70 EFIDRO Cc1c([C@H](C)[NH2+]CC(=O)NC(C)C)cnn1-c1cc(C)ccc1C ZINC000160911296 473190348 /nfs/dbraw/zinc/19/03/48/473190348.db2.gz HQDPNGAKHHHKRK-HNNXBMFYSA-N 1 0 328.460 2.973 20 70 EFIDRO COC(=O)c1csc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000160917959 473190427 /nfs/dbraw/zinc/19/04/27/473190427.db2.gz SGWRVULRMJBEID-VXGBXAGGSA-N 1 0 339.461 2.777 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000160995744 473197211 /nfs/dbraw/zinc/19/72/11/473197211.db2.gz TVCCVRZMYNMTHS-WMZOPIPTSA-N 1 0 337.508 2.707 20 70 EFIDRO C[NH+]1CCC(NC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000161002329 473198507 /nfs/dbraw/zinc/19/85/07/473198507.db2.gz SSOQMXJTEOZKHG-UHFFFAOYSA-N 1 0 331.338 2.530 20 70 EFIDRO CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CCCCC1 ZINC000160999992 473198655 /nfs/dbraw/zinc/19/86/55/473198655.db2.gz FOXPJIYWCVKQHQ-SFHVURJKSA-N 1 0 345.487 2.740 20 70 EFIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161036265 473200832 /nfs/dbraw/zinc/20/08/32/473200832.db2.gz BXEIWTKFFZVWFD-INIZCTEOSA-N 1 0 338.473 2.511 20 70 EFIDRO COC(=O)c1csc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000161047878 473201697 /nfs/dbraw/zinc/20/16/97/473201697.db2.gz GHHKJYVNBWXGMZ-NSHDSACASA-N 1 0 325.434 2.531 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)CC1 ZINC000161047647 473201936 /nfs/dbraw/zinc/20/19/36/473201936.db2.gz XHKPGUGCYUCVDL-UHFFFAOYSA-N 1 0 326.444 2.642 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C1 ZINC000161057265 473202478 /nfs/dbraw/zinc/20/24/78/473202478.db2.gz FPFGYPVOVBSVFN-NEPJUHHUSA-N 1 0 345.424 2.539 20 70 EFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Br)cc1O ZINC000217406921 474141300 /nfs/dbraw/zinc/14/13/00/474141300.db2.gz KHSLMNLYNOCWNH-SNVBAGLBSA-N 1 0 329.238 2.615 20 70 EFIDRO CCc1ccc([C@@H](CNC(=O)NC[C@@H](O)C(CC)CC)[NH+](C)C)cc1 ZINC000217148327 474141388 /nfs/dbraw/zinc/14/13/88/474141388.db2.gz HJIDLRSKFQEJGX-RTBURBONSA-N 1 0 349.519 2.948 20 70 EFIDRO COc1ccc(O)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000218177241 474145162 /nfs/dbraw/zinc/14/51/62/474145162.db2.gz CWKWWGLLXKEURK-SFHVURJKSA-N 1 0 340.423 2.968 20 70 EFIDRO Cc1c(C(=O)NC2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000161077060 533778419 /nfs/dbraw/zinc/77/84/19/533778419.db2.gz YGNXGUAEZHTILJ-UHFFFAOYSA-N 1 0 326.444 2.622 20 70 EFIDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000160366963 533886070 /nfs/dbraw/zinc/88/60/70/533886070.db2.gz YXOFVEPNXPCBBP-GOEBONIOSA-N 1 0 340.851 2.540 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000160059534 533916699 /nfs/dbraw/zinc/91/66/99/533916699.db2.gz BDVAHZHNXCJPBJ-APWZRJJASA-N 1 0 338.455 2.886 20 70 EFIDRO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159811244 533928380 /nfs/dbraw/zinc/92/83/80/533928380.db2.gz WCDBPOPLQHFTAH-WFASDCNBSA-N 1 0 340.851 2.688 20 70 EFIDRO C[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160296379 533999609 /nfs/dbraw/zinc/99/96/09/533999609.db2.gz KBIFHGDEVUKBMJ-NEPJUHHUSA-N 1 0 347.385 2.687 20 70 EFIDRO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000159653680 534010800 /nfs/dbraw/zinc/01/08/00/534010800.db2.gz BTWJIJQXZAMIAG-GWCFXTLKSA-N 1 0 343.290 2.798 20 70 EFIDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)nn1-c1ccccc1 ZINC000159797564 534040508 /nfs/dbraw/zinc/04/05/08/534040508.db2.gz YAGSCJSOXGGENG-UHFFFAOYSA-N 1 0 338.455 2.785 20 70 EFIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000159563972 534162359 /nfs/dbraw/zinc/16/23/59/534162359.db2.gz POZGTEIVDFQEIG-YOEHRIQHSA-N 1 0 334.435 2.721 20 70 EFIDRO OCC1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCC1 ZINC000160101279 534344621 /nfs/dbraw/zinc/34/46/21/534344621.db2.gz UDDRTAOCFGFUEA-UHFFFAOYSA-N 1 0 342.233 2.820 20 70 EFIDRO O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000159513640 534429312 /nfs/dbraw/zinc/42/93/12/534429312.db2.gz NHTQZNKFMFZBSI-GFCCVEGCSA-N 1 0 336.798 2.662 20 70 EFIDRO CC(C)[NH+](CCS[C@@H]1CCCN(c2ccn(C)n2)C1=O)C(C)C ZINC000161026707 519650476 /nfs/dbraw/zinc/65/04/76/519650476.db2.gz FVLNYQWLMSRWMH-OAHLLOKOSA-N 1 0 338.521 2.768 20 70 EFIDRO [NH3+]C1(CNC(=O)c2ccc(N3CCCCCC3)nc2)CCCCC1 ZINC000159498449 534547505 /nfs/dbraw/zinc/54/75/05/534547505.db2.gz FDJOJOMIXGGCHK-UHFFFAOYSA-N 1 0 330.476 2.853 20 70 EFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159509903 534585557 /nfs/dbraw/zinc/58/55/57/534585557.db2.gz UDUNEOIJISUCOI-NVXWUHKLSA-N 1 0 336.863 2.612 20 70 EFIDRO O=C([C@H]1CCC[NH2+]C1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510030 534627606 /nfs/dbraw/zinc/62/76/06/534627606.db2.gz UDUNEOIJISUCOI-RDJZCZTQSA-N 1 0 336.863 2.612 20 70 EFIDRO O=C(c1ccc(-n2cnc3ccccc32)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159636647 534687900 /nfs/dbraw/zinc/68/79/00/534687900.db2.gz CCGYYWVJWGIVJH-CALCHBBNSA-N 1 0 346.434 2.992 20 70 EFIDRO Cc1cnccc1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000159910564 534697431 /nfs/dbraw/zinc/69/74/31/534697431.db2.gz MPAVSACJFZZLRT-HNNXBMFYSA-N 1 0 332.492 2.742 20 70 EFIDRO COCCN(C)CC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000159430791 523613056 /nfs/dbraw/zinc/61/30/56/523613056.db2.gz RMGMROAZDVYJPS-HNNXBMFYSA-N 1 0 332.366 2.740 20 70 EFIDRO O=C(Cc1csc(-c2ccoc2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159806841 534748358 /nfs/dbraw/zinc/74/83/58/534748358.db2.gz LTCIAXWTPGBYAH-UHFFFAOYSA-N 1 0 345.468 2.936 20 70 EFIDRO Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCC[NH3+])cc12 ZINC000159980474 534801694 /nfs/dbraw/zinc/80/16/94/534801694.db2.gz OYWCSYTZTDOMJO-UHFFFAOYSA-N 1 0 332.404 2.613 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)NCC[NH+]3CCCCC3)c2c1 ZINC000160570408 525661067 /nfs/dbraw/zinc/66/10/67/525661067.db2.gz OKMKCWLLBTZIPO-UHFFFAOYSA-N 1 0 327.428 2.768 20 70 EFIDRO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000159891348 526307312 /nfs/dbraw/zinc/30/73/12/526307312.db2.gz NSZBGILSCJLUSY-CABCVRRESA-N 1 0 338.398 2.994 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2ccnc(N3CCCCC3)c2)CC1 ZINC000161023924 526700348 /nfs/dbraw/zinc/70/03/48/526700348.db2.gz IXPZPZLIMYPXTO-UHFFFAOYSA-N 1 0 330.476 2.609 20 70 EFIDRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000160110470 527522253 /nfs/dbraw/zinc/52/22/53/527522253.db2.gz MSNBTEVLADRCGF-MRXNPFEDSA-N 1 0 338.879 2.581 20 70 EFIDRO CCOc1c(Cl)cc(/C=C/C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000159930711 528167656 /nfs/dbraw/zinc/16/76/56/528167656.db2.gz WMQLRWZLOZQGPB-VOTSOKGWSA-N 1 0 326.824 2.614 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccsc1 ZINC000160282953 528237898 /nfs/dbraw/zinc/23/78/98/528237898.db2.gz PDDFWTKASBTQRS-DOTOQJQBSA-N 1 0 339.505 2.687 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)NCCc1ccncc1C)c1ccco1 ZINC000160215431 528239318 /nfs/dbraw/zinc/23/93/18/528239318.db2.gz PEONMQPMUKTSFZ-KRWDZBQOSA-N 1 0 344.459 2.908 20 70 EFIDRO CC1CC[NH+](CCNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160242869 528245371 /nfs/dbraw/zinc/24/53/71/528245371.db2.gz ODOBQFABRLLYIN-GOSISDBHSA-N 1 0 347.459 2.708 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 ZINC000161076330 528288642 /nfs/dbraw/zinc/28/86/42/528288642.db2.gz RSVGBCBVIGLKSW-UHFFFAOYSA-N 1 0 327.428 2.705 20 70 EFIDRO CC1(C)CC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC(C)(C)[NH2+]1 ZINC000160314538 528889046 /nfs/dbraw/zinc/88/90/46/528889046.db2.gz BRFAMLIKMPITTR-UHFFFAOYSA-N 1 0 347.385 2.876 20 70 EFIDRO CC(C)[C@H](C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)[NH+](C)C ZINC000160132285 528918881 /nfs/dbraw/zinc/91/88/81/528918881.db2.gz PYTFPYXMVKRNOZ-TZMCWYRMSA-N 1 0 333.259 2.729 20 70 EFIDRO CCC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(OC)cc1 ZINC000160371914 529004211 /nfs/dbraw/zinc/00/42/11/529004211.db2.gz KLFQVXNTRHNPNU-LJQANCHMSA-N 1 0 347.503 2.679 20 70 EFIDRO CCC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)N1CCc2sccc2C1 ZINC000160174284 529018491 /nfs/dbraw/zinc/01/84/91/529018491.db2.gz YZFWRCFMQBVPRQ-XJKSGUPXSA-N 1 0 346.500 2.886 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)COCc2ccccc2)CC1 ZINC000159739505 529025061 /nfs/dbraw/zinc/02/50/61/529025061.db2.gz LCAIGZYDAWXDLL-QGZVFWFLSA-N 1 0 333.476 2.577 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCCO[C@@H](C)c2ccccc2)CC1 ZINC000159559533 529025468 /nfs/dbraw/zinc/02/54/68/529025468.db2.gz QXRBZWAPCBBRCF-KRWDZBQOSA-N 1 0 333.476 2.892 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000159778192 529026562 /nfs/dbraw/zinc/02/65/62/529026562.db2.gz HOICXSQPBVAMIB-UHFFFAOYSA-N 1 0 340.265 2.686 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000159566690 529026627 /nfs/dbraw/zinc/02/66/27/529026627.db2.gz RCQVQVAGAVMXPH-UHFFFAOYSA-N 1 0 329.366 2.943 20 70 EFIDRO CC[NH+]1CCN(CCNC(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000160081544 529145660 /nfs/dbraw/zinc/14/56/60/529145660.db2.gz CHPSQLLORULHRO-UHFFFAOYSA-N 1 0 349.544 2.704 20 70 EFIDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCCO3)c(C)c2)CC1 ZINC000159949306 529153429 /nfs/dbraw/zinc/15/34/29/529153429.db2.gz AFPCCYLHQFHHOE-SFHVURJKSA-N 1 0 331.460 2.645 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000159838161 529163876 /nfs/dbraw/zinc/16/38/76/529163876.db2.gz PFWALZPAKUIDHR-LZWOXQAQSA-N 1 0 336.501 2.756 20 70 EFIDRO CC[C@@H](Sc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160058671 529254139 /nfs/dbraw/zinc/25/41/39/529254139.db2.gz GBSIACFRNKTJAS-NVXWUHKLSA-N 1 0 336.501 2.520 20 70 EFIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)CCCCCC[NH3+])ccc2NC1=O ZINC000161363993 529334608 /nfs/dbraw/zinc/33/46/08/529334608.db2.gz UGYANGMCCIHGND-XJKSGUPXSA-N 1 0 347.459 2.883 20 70 EFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cc(Br)ccc31)CC2 ZINC000160336688 282126759 /nfs/dbraw/zinc/12/67/59/282126759.db2.gz QFNPNRAYMPCCNP-UKRRQHHQSA-N 1 0 347.260 2.941 20 70 EFIDRO CC[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)Oc1cccc(C)c1 ZINC000159951017 529478849 /nfs/dbraw/zinc/47/88/49/529478849.db2.gz NNFBGVLZWJZQON-KRWDZBQOSA-N 1 0 333.476 2.890 20 70 EFIDRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000161370559 295842611 /nfs/dbraw/zinc/84/26/11/295842611.db2.gz TWVHLOLYZHFADV-JOYOIKCWSA-N 1 0 327.222 2.516 20 70 EFIDRO CCCC[C@@H](COC)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160406377 282907055 /nfs/dbraw/zinc/90/70/55/282907055.db2.gz HNGKVWVWRXNMDM-DLBZAZTESA-N 1 0 325.497 2.852 20 70 EFIDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000217851110 241278858 /nfs/dbraw/zinc/27/88/58/241278858.db2.gz IEPBUWCSEFWQLZ-HNNXBMFYSA-N 1 0 331.865 2.705 20 70 EFIDRO CO[C@@H]1CCN(Cc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000161019993 204420668 /nfs/dbraw/zinc/42/06/68/204420668.db2.gz AIOXIMCEDJIXSY-QWHCGFSZSA-N 1 0 331.229 2.526 20 70 EFIDRO CO[C@H]1CCN(Cc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000161020123 204423538 /nfs/dbraw/zinc/42/35/38/204423538.db2.gz AIOXIMCEDJIXSY-STQMWFEESA-N 1 0 331.229 2.526 20 70 EFIDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000161121135 205245970 /nfs/dbraw/zinc/24/59/70/205245970.db2.gz OGTLUEFSKMWOLR-GFCCVEGCSA-N 1 0 337.261 2.972 20 70 EFIDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000159394248 206244210 /nfs/dbraw/zinc/24/42/10/206244210.db2.gz XRARDMBSMUSDIN-GDBMZVCRSA-N 1 0 342.505 2.793 20 70 EFIDRO NC(=O)c1cccc(Oc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)c1 ZINC000159443633 206244994 /nfs/dbraw/zinc/24/49/94/206244994.db2.gz CEYBLUIZNLSNSY-UHFFFAOYSA-N 1 0 339.395 2.516 20 70 EFIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000159432546 206245485 /nfs/dbraw/zinc/24/54/85/206245485.db2.gz DJCFGKVYMSCSHX-LAQIPUCWSA-N 1 0 340.464 2.633 20 70 EFIDRO NC(=O)c1cccc(Oc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)c1 ZINC000159444064 206246715 /nfs/dbraw/zinc/24/67/15/206246715.db2.gz MZBKKHQDDNZFBV-AWEZNQCLSA-N 1 0 339.395 2.516 20 70 EFIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000159631748 206255900 /nfs/dbraw/zinc/25/59/00/206255900.db2.gz NNFYYYVEJQWGLG-KSSFIOAISA-N 1 0 334.435 2.721 20 70 EFIDRO CCCC[NH+]1CCC(NC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000159626579 206255946 /nfs/dbraw/zinc/25/59/46/206255946.db2.gz FLENJMAZWUPEMB-UHFFFAOYSA-N 1 0 345.487 2.638 20 70 EFIDRO CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159633316 206256040 /nfs/dbraw/zinc/25/60/40/206256040.db2.gz GYUMPPGWJOSHKW-INIZCTEOSA-N 1 0 346.471 2.753 20 70 EFIDRO Cc1nn(C)c2nc(C)cc(C(=O)NCC[NH2+]C3CCCCCC3)c12 ZINC000159663283 206257835 /nfs/dbraw/zinc/25/78/35/206257835.db2.gz CUHZFAVQPKESBG-UHFFFAOYSA-N 1 0 343.475 2.627 20 70 EFIDRO CC[N@H+](CC(=O)N[C@@H](c1ccco1)c1ccccc1OC)C1CC1 ZINC000159730585 206259956 /nfs/dbraw/zinc/25/99/56/206259956.db2.gz IOJGNRHJMQYFMW-LJQANCHMSA-N 1 0 328.412 2.978 20 70 EFIDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(OC)c1OC ZINC000159508388 206249695 /nfs/dbraw/zinc/24/96/95/206249695.db2.gz VGHYKQZGTPOCPS-VHSSKADRSA-N 1 0 333.428 2.760 20 70 EFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159509782 206250186 /nfs/dbraw/zinc/25/01/86/206250186.db2.gz UDUNEOIJISUCOI-WBVHZDCISA-N 1 0 336.863 2.612 20 70 EFIDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159513980 206250540 /nfs/dbraw/zinc/25/05/40/206250540.db2.gz AUJPDHOOYPUNGE-BVGQSLNGSA-N 1 0 333.428 2.760 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCCCN(C)c2ccccc2)CC1 ZINC000159733430 206260058 /nfs/dbraw/zinc/26/00/58/206260058.db2.gz VIECXWOBFROCNV-UHFFFAOYSA-N 1 0 332.492 2.640 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000159754991 206262064 /nfs/dbraw/zinc/26/20/64/206262064.db2.gz KNCHOQAKMNGGBU-RTBURBONSA-N 1 0 345.487 2.892 20 70 EFIDRO C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159830042 206264616 /nfs/dbraw/zinc/26/46/16/206264616.db2.gz SKVYYMZHVNTOBV-HNNXBMFYSA-N 1 0 345.512 2.993 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000159822488 206264651 /nfs/dbraw/zinc/26/46/51/206264651.db2.gz HMLOTSVBZNSDBV-SFHVURJKSA-N 1 0 349.519 2.770 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2Br)CC1 ZINC000159778349 206262873 /nfs/dbraw/zinc/26/28/73/206262873.db2.gz GLFBIQATLMEKKX-UHFFFAOYSA-N 1 0 340.265 2.686 20 70 EFIDRO C[C@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159830186 206265598 /nfs/dbraw/zinc/26/55/98/206265598.db2.gz SKVYYMZHVNTOBV-OAHLLOKOSA-N 1 0 345.512 2.993 20 70 EFIDRO CCSCC[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000159841388 206267720 /nfs/dbraw/zinc/26/77/20/206267720.db2.gz UBSZWYGPZXMMTG-UHFFFAOYSA-N 1 0 331.503 2.544 20 70 EFIDRO CC[C@H](Oc1ccccc1F)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159884311 206267917 /nfs/dbraw/zinc/26/79/17/206267917.db2.gz QDMIKOLECBEHBZ-KRWDZBQOSA-N 1 0 334.435 2.974 20 70 EFIDRO C[C@H]1OCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H]1C ZINC000159866865 206266745 /nfs/dbraw/zinc/26/67/45/206266745.db2.gz ODVCBNXBBLIPSW-HZPDHXFCSA-N 1 0 331.460 2.601 20 70 EFIDRO COc1cccc(CNC(=O)[C@H]2CCC[NH2+]C2)c1OC1CCCC1 ZINC000159857742 206267389 /nfs/dbraw/zinc/26/73/89/206267389.db2.gz LIQRAILHXUMUSN-HNNXBMFYSA-N 1 0 332.444 2.632 20 70 EFIDRO Cc1cncc(/C=C/C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000159880464 206268299 /nfs/dbraw/zinc/26/82/99/206268299.db2.gz RCRBSLFNXRVRAA-AATRIKPKSA-N 1 0 343.471 2.555 20 70 EFIDRO CCOC(=O)c1ccc(N2CCC[N@H+](CCSCC)CC2)nc1 ZINC000159923011 206269994 /nfs/dbraw/zinc/26/99/94/206269994.db2.gz SDDYFHHJKFCKQI-UHFFFAOYSA-N 1 0 337.489 2.524 20 70 EFIDRO CCC[C@@H](CCO)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159926187 206270248 /nfs/dbraw/zinc/27/02/48/206270248.db2.gz JUUQPQZATCEODD-JENIJYKNSA-N 1 0 347.503 2.747 20 70 EFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000159905841 206270806 /nfs/dbraw/zinc/27/08/06/206270806.db2.gz KGRWCWZWJDVCRU-CYBMUJFWSA-N 1 0 330.350 2.728 20 70 EFIDRO CCC[C@H](CCO)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159969022 206272946 /nfs/dbraw/zinc/27/29/46/206272946.db2.gz PNPWSMGSPAZXHV-YQVWRLOYSA-N 1 0 347.503 2.605 20 70 EFIDRO CCC[C@H]1CN(C(=O)Nc2cccnc2Cl)CC[N@@H+]1CCOC ZINC000160005504 206275152 /nfs/dbraw/zinc/27/51/52/206275152.db2.gz AVXXBQBCLPPYIE-ZDUSSCGKSA-N 1 0 340.855 2.700 20 70 EFIDRO C[C@@]1(O)CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000159992824 206275475 /nfs/dbraw/zinc/27/54/75/206275475.db2.gz DQYYENXMBTURBN-HXUWFJFHSA-N 1 0 345.487 2.729 20 70 EFIDRO C[C@]1(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCS1 ZINC000160019701 206276037 /nfs/dbraw/zinc/27/60/37/206276037.db2.gz DCAPNISIXHWBFM-GOSISDBHSA-N 1 0 348.516 2.631 20 70 EFIDRO CCOc1cc(/C=C/C(=O)NCC(C)(C)[NH3+])cc(Cl)c1OC ZINC000160034097 206276075 /nfs/dbraw/zinc/27/60/75/206276075.db2.gz MYCSMJGOZYHDST-VOTSOKGWSA-N 1 0 326.824 2.614 20 70 EFIDRO CCOCCN(CC)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160078083 206278961 /nfs/dbraw/zinc/27/89/61/206278961.db2.gz HWLSHOZBJOKEQE-SJLPKXTDSA-N 1 0 333.476 2.717 20 70 EFIDRO C[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCOC1 ZINC000160095641 206279337 /nfs/dbraw/zinc/27/93/37/206279337.db2.gz CJDUMQFVMQWNMZ-GOEBONIOSA-N 1 0 331.378 2.967 20 70 EFIDRO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC(C)(C)C ZINC000160229457 206284914 /nfs/dbraw/zinc/28/49/14/206284914.db2.gz PMQVWIZOSIGGAO-UHFFFAOYSA-N 1 0 333.432 2.808 20 70 EFIDRO C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(O)c(F)c1)C(C)(C)C ZINC000160221840 206285385 /nfs/dbraw/zinc/28/53/85/206285385.db2.gz GCOQTVQZSXWRHL-OAHLLOKOSA-N 1 0 325.428 2.697 20 70 EFIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000160220853 206285500 /nfs/dbraw/zinc/28/55/00/206285500.db2.gz VLCBSXXSZGPZRO-UHFFFAOYSA-N 1 0 326.872 2.803 20 70 EFIDRO Cc1ccc([C@@H](CNC(=O)NCCc2ccncc2C)[NH+](C)C)cc1 ZINC000160212552 206284783 /nfs/dbraw/zinc/28/47/83/206284783.db2.gz KYAZJCJOIRYDBK-LJQANCHMSA-N 1 0 340.471 2.843 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000160244224 206286817 /nfs/dbraw/zinc/28/68/17/206286817.db2.gz GJNZYTZOERJJGK-GOSISDBHSA-N 1 0 345.443 2.603 20 70 EFIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000160244357 206286279 /nfs/dbraw/zinc/28/62/79/206286279.db2.gz GJNZYTZOERJJGK-SFHVURJKSA-N 1 0 345.443 2.603 20 70 EFIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160297733 206289201 /nfs/dbraw/zinc/28/92/01/206289201.db2.gz WULYVJDFYKQOQG-OALUTQOASA-N 1 0 345.487 2.717 20 70 EFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160288188 206288853 /nfs/dbraw/zinc/28/88/53/206288853.db2.gz WGDOILIIWOWFTJ-MAUKXSAKSA-N 1 0 347.459 2.850 20 70 EFIDRO Cc1nn(C)cc1C[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000160315306 206290171 /nfs/dbraw/zinc/29/01/71/206290171.db2.gz ABCQHSYVMZCDHN-UHFFFAOYSA-N 1 0 338.411 2.541 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCCO1)c1cccc(OC)c1 ZINC000160332742 206290835 /nfs/dbraw/zinc/29/08/35/206290835.db2.gz ZROWYWRDKVGKDI-MSOLQXFVSA-N 1 0 334.460 2.763 20 70 EFIDRO CC(C)[NH+](CCNC(=O)c1csc([C@@H]2CCCO2)n1)C(C)C ZINC000160360069 206292523 /nfs/dbraw/zinc/29/25/23/206292523.db2.gz SYNPZNNLWQFDBB-AWEZNQCLSA-N 1 0 325.478 2.843 20 70 EFIDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000160366868 206292730 /nfs/dbraw/zinc/29/27/30/206292730.db2.gz YXOFVEPNXPCBBP-ZBFHGGJFSA-N 1 0 340.851 2.540 20 70 EFIDRO CC(C)[NH+](CCNC(=O)c1csc([C@H]2CCCO2)n1)C(C)C ZINC000160360179 206293169 /nfs/dbraw/zinc/29/31/69/206293169.db2.gz SYNPZNNLWQFDBB-CQSZACIVSA-N 1 0 325.478 2.843 20 70 EFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(OC)c(OC)c1 ZINC000160416301 206295558 /nfs/dbraw/zinc/29/55/58/206295558.db2.gz IDRCEIJAJNDWHU-GJZGRUSLSA-N 1 0 330.432 2.659 20 70 EFIDRO C[C@@H](NC(=O)NC1(C)CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000160470337 206299002 /nfs/dbraw/zinc/29/90/02/206299002.db2.gz GAYVKMQSGTXVMD-CQSZACIVSA-N 1 0 348.466 2.880 20 70 EFIDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1C ZINC000160440911 206297336 /nfs/dbraw/zinc/29/73/36/206297336.db2.gz RXFYKEXSPBSVCG-QGZVFWFLSA-N 1 0 331.504 2.815 20 70 EFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CCO1 ZINC000160485211 206300834 /nfs/dbraw/zinc/30/08/34/206300834.db2.gz ZGXZROCUZSIYTP-KRWDZBQOSA-N 1 0 346.471 2.639 20 70 EFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2nccc(C(F)(F)F)n2)C[C@@H](C)O1 ZINC000160495902 206301013 /nfs/dbraw/zinc/30/10/13/206301013.db2.gz CLACCONJWCENIA-UPJWGTAASA-N 1 0 344.381 2.573 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000160526764 206301638 /nfs/dbraw/zinc/30/16/38/206301638.db2.gz LYCBGOBIWKCEND-LLVKDONJSA-N 1 0 331.243 2.570 20 70 EFIDRO O=C(/C=C/c1ccc(F)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160534773 206302189 /nfs/dbraw/zinc/30/21/89/206302189.db2.gz DUMBZXKDXFIHNZ-RJHNKFTKSA-N 1 0 346.446 2.723 20 70 EFIDRO CCCCOc1ccc(/C=C/C(=O)N2CC[C@@H]([NH2+]C)C2)cc1OC ZINC000160666523 206307374 /nfs/dbraw/zinc/30/73/74/206307374.db2.gz OTXILBSNVSBCEM-MNDMWVCDSA-N 1 0 332.444 2.708 20 70 EFIDRO CC[N@H+](C)C[C@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000160679968 206307931 /nfs/dbraw/zinc/30/79/31/206307931.db2.gz IRNFUVWSDDZQOA-CRAIPNDOSA-N 1 0 333.451 2.595 20 70 EFIDRO CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000160684590 206309255 /nfs/dbraw/zinc/30/92/55/206309255.db2.gz DESNVIAAINNXTL-MOPGFXCFSA-N 1 0 345.487 2.890 20 70 EFIDRO O=C(/C=C/c1cccc(F)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160716782 206309619 /nfs/dbraw/zinc/30/96/19/206309619.db2.gz VUYQJEUOMNHUCT-WARJXXDVSA-N 1 0 346.446 2.723 20 70 EFIDRO CCCCOC(=O)CC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000160707416 206309646 /nfs/dbraw/zinc/30/96/46/206309646.db2.gz DXJSSSOJXIGGPZ-OAHLLOKOSA-N 1 0 330.432 2.994 20 70 EFIDRO O=C1[C@H]([NH+]2CCC(n3ccnc3)CC2)CCCN1c1ccccc1F ZINC000160711050 206309709 /nfs/dbraw/zinc/30/97/09/206309709.db2.gz YQQJIZOEUIFLQQ-GOSISDBHSA-N 1 0 342.418 2.855 20 70 EFIDRO O=C(/C=C/c1cccc(F)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160716419 206310238 /nfs/dbraw/zinc/31/02/38/206310238.db2.gz VUYQJEUOMNHUCT-HKVOBHHDSA-N 1 0 346.446 2.723 20 70 EFIDRO C[NH2+]C[C@H](C)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000160741052 206311218 /nfs/dbraw/zinc/31/12/18/206311218.db2.gz LLOCTQDFWNFZEM-LBPRGKRZSA-N 1 0 339.277 2.795 20 70 EFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160759323 206313105 /nfs/dbraw/zinc/31/31/05/206313105.db2.gz ZDOLBFPUCWKNIZ-AEFFLSMTSA-N 1 0 345.487 2.587 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000160909264 206318060 /nfs/dbraw/zinc/31/80/60/206318060.db2.gz ZBIVLOSNAHAWTR-CVEARBPZSA-N 1 0 334.464 2.541 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000160956770 206319277 /nfs/dbraw/zinc/31/92/77/206319277.db2.gz YBPRPRQBOQEBFY-GOSISDBHSA-N 1 0 328.387 2.728 20 70 EFIDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)sc1Br ZINC000160985410 206321791 /nfs/dbraw/zinc/32/17/91/206321791.db2.gz RRJGSYVHCZFHQN-YUMQZZPRSA-N 1 0 333.251 2.519 20 70 EFIDRO CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CCCCC1 ZINC000161000120 206322292 /nfs/dbraw/zinc/32/22/92/206322292.db2.gz FOXPJIYWCVKQHQ-GOSISDBHSA-N 1 0 345.487 2.740 20 70 EFIDRO c1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(N2CCCCC2)n1 ZINC000161024061 206323904 /nfs/dbraw/zinc/32/39/04/206323904.db2.gz JUJWTIBGTNGXLW-UHFFFAOYSA-N 1 0 331.460 2.847 20 70 EFIDRO COc1cccc(O[C@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000161129490 206328971 /nfs/dbraw/zinc/32/89/71/206328971.db2.gz LJXVPGMHANHMQN-CLCXKQKWSA-N 1 0 342.439 2.915 20 70 EFIDRO Cc1nn(C)cc1C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000161153647 206331012 /nfs/dbraw/zinc/33/10/12/206331012.db2.gz WEKBCSVYEVDXMK-UHFFFAOYSA-N 1 0 326.213 2.962 20 70 EFIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160593413 206304462 /nfs/dbraw/zinc/30/44/62/206304462.db2.gz FBYODZDWMXDNSS-OAHLLOKOSA-N 1 0 341.459 2.856 20 70 EFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2CSCCS2)c1 ZINC000160596356 206304719 /nfs/dbraw/zinc/30/47/19/206304719.db2.gz YZYLNUIBLOJQJK-INIZCTEOSA-N 1 0 338.542 2.993 20 70 EFIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160573881 206305288 /nfs/dbraw/zinc/30/52/88/206305288.db2.gz JFKZIRZPUUDLOE-NSHDSACASA-N 1 0 340.349 2.510 20 70 EFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000161183733 206334501 /nfs/dbraw/zinc/33/45/01/206334501.db2.gz COEROXRYBRQIDL-WMLDXEAASA-N 1 0 339.505 2.583 20 70 EFIDRO CCC[N@H+](CCO)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000161200827 206334573 /nfs/dbraw/zinc/33/45/73/206334573.db2.gz PQBCNENKAXGFFD-UHFFFAOYSA-N 1 0 330.428 2.874 20 70 EFIDRO CCC[N@H+](CCO)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000161223270 206336061 /nfs/dbraw/zinc/33/60/61/206336061.db2.gz HIKDXRLOORDVKF-UHFFFAOYSA-N 1 0 330.428 2.874 20 70 EFIDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1OC ZINC000161221759 206336162 /nfs/dbraw/zinc/33/61/62/206336162.db2.gz CLSRBEFMWSUXCP-UONOGXRCSA-N 1 0 333.432 2.866 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000161254314 206337644 /nfs/dbraw/zinc/33/76/44/206337644.db2.gz RVRDIJVMCFEIRU-UHFFFAOYSA-N 1 0 343.471 2.962 20 70 EFIDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)nc2)ccc1S(C)(=O)=O ZINC000161290255 206338850 /nfs/dbraw/zinc/33/88/50/206338850.db2.gz IKXFAIHVHHYVIU-CYBMUJFWSA-N 1 0 334.441 2.653 20 70 EFIDRO c1cnn(Cc2cccc(C[NH2+]C3CCC4(CC3)OCCO4)c2)c1 ZINC000161336901 206341560 /nfs/dbraw/zinc/34/15/60/206341560.db2.gz WLYXOAZOPJIIBD-UHFFFAOYSA-N 1 0 327.428 2.707 20 70 EFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)nc1C ZINC000161391221 206346277 /nfs/dbraw/zinc/34/62/77/206346277.db2.gz AFBPKNWAHQTNGU-AWEZNQCLSA-N 1 0 326.444 2.912 20 70 EFIDRO Cc1c([C@@H](C)NC2CC[NH+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000161414932 206346743 /nfs/dbraw/zinc/34/67/43/206346743.db2.gz PLRGFXGVKDKESL-GFCCVEGCSA-N 1 0 333.867 2.974 20 70 EFIDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1cc2ccccc2o1 ZINC000161426851 206347223 /nfs/dbraw/zinc/34/72/23/206347223.db2.gz WHKVPDIMNONWAQ-AWEZNQCLSA-N 1 0 345.443 2.592 20 70 EFIDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccnn2C(C)C)CC1 ZINC000161448342 206350275 /nfs/dbraw/zinc/35/02/75/206350275.db2.gz KDXLRWLYROLOMD-UHFFFAOYSA-N 1 0 330.436 2.570 20 70 EFIDRO Cc1c([C@@H](C)NC2CC[NH+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000161486350 206351509 /nfs/dbraw/zinc/35/15/09/206351509.db2.gz YOPDVMPVTPGBME-GFCCVEGCSA-N 1 0 333.867 2.974 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000161501721 206353147 /nfs/dbraw/zinc/35/31/47/206353147.db2.gz OVAGNBBWGPDOEZ-FAFZWHIHSA-N 1 0 334.460 2.544 20 70 EFIDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NO[C@H]1CCCCO1 ZINC000161508809 206353155 /nfs/dbraw/zinc/35/31/55/206353155.db2.gz LIQDBCSXPWMBRF-SFHVURJKSA-N 1 0 347.459 2.930 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000161505596 206353271 /nfs/dbraw/zinc/35/32/71/206353271.db2.gz VJBYJCWPEPVSDS-RTBURBONSA-N 1 0 338.407 2.507 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)C1 ZINC000160771822 532968608 /nfs/dbraw/zinc/96/86/08/532968608.db2.gz SVHWHJODIMTUQL-QFBILLFUSA-N 1 0 338.451 2.865 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C(=O)c2cc(C)ccc2C)C1 ZINC000160477615 532968716 /nfs/dbraw/zinc/96/87/16/532968716.db2.gz WFZBIEGYLFYCEX-MRXNPFEDSA-N 1 0 336.435 2.968 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)c2c(C)onc2-c2c(F)cccc2Cl)C1 ZINC000160547060 532969243 /nfs/dbraw/zinc/96/92/43/532969243.db2.gz NVZFSMKHUQFRCD-SNVBAGLBSA-N 1 0 337.782 2.876 20 70 EFIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 ZINC000160320666 258015566 /nfs/dbraw/zinc/01/55/66/258015566.db2.gz XIWYHWXYNIGWLL-MZEUMTGBSA-N 1 0 337.423 2.624 20 70 EFIDRO COc1ccc(CCN(CC(C)C)C(=O)[C@H]2CCC[NH2+]C2)cc1OC ZINC000160883089 533478133 /nfs/dbraw/zinc/47/81/33/533478133.db2.gz ORSQKFXQTBBTQT-KRWDZBQOSA-N 1 0 348.487 2.731 20 70 EFIDRO CCO[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+](CC)CC)C12CCC2 ZINC000160661749 286319144 /nfs/dbraw/zinc/31/91/44/286319144.db2.gz OELAUWWHHUJBKC-JKSUJKDBSA-N 1 0 325.497 2.707 20 70 EFIDRO Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)c(C)c1Cl ZINC000160173341 225353691 /nfs/dbraw/zinc/35/36/91/225353691.db2.gz UWYCIWIWOGIANB-HNNXBMFYSA-N 1 0 332.835 2.706 20 70 EFIDRO COC[C@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000160169754 544803095 /nfs/dbraw/zinc/80/30/95/544803095.db2.gz MQAAXYMTQHPEBG-KRWDZBQOSA-N 1 0 335.448 2.564 20 70 EFIDRO O=C(NCCC[NH+]1CCCCCC1)c1csc([C@H]2CCCO2)n1 ZINC000160378311 544805140 /nfs/dbraw/zinc/80/51/40/544805140.db2.gz DBBLGXMRUGJEBH-OAHLLOKOSA-N 1 0 337.489 2.991 20 70 EFIDRO O=C(CCc1ccccc1F)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160533592 544806884 /nfs/dbraw/zinc/80/68/84/544806884.db2.gz DSYSSFAZOVEESM-OALUTQOASA-N 1 0 348.462 2.642 20 70 EFIDRO C[C@@H](CC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccncc1 ZINC000160980160 544810187 /nfs/dbraw/zinc/81/01/87/544810187.db2.gz PXEDHJDORWOGSK-INIZCTEOSA-N 1 0 333.476 2.535 20 70 EFIDRO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161306619 544812495 /nfs/dbraw/zinc/81/24/95/544812495.db2.gz XGLVSAMVZXUVDU-CQSZACIVSA-N 1 0 344.846 2.884 20 70 EFIDRO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161381312 544813549 /nfs/dbraw/zinc/81/35/49/544813549.db2.gz UTUPIJASUIRJDT-ZDUSSCGKSA-N 1 0 346.381 2.509 20 70 EFIDRO Cc1ccc(NC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000161377757 544813582 /nfs/dbraw/zinc/81/35/82/544813582.db2.gz PNYJULULEGJKDV-KRWDZBQOSA-N 1 0 338.455 2.848 20 70 EFIDRO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161375911 544814036 /nfs/dbraw/zinc/81/40/36/544814036.db2.gz KHAGWWCJGDIEBO-QGZVFWFLSA-N 1 0 338.455 2.848 20 70 EFIDRO CC[C@H](OC1CCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159501412 544796040 /nfs/dbraw/zinc/79/60/40/544796040.db2.gz IMUZZCRTIGHISB-SFHVURJKSA-N 1 0 331.460 2.858 20 70 EFIDRO CC[C@@H](C)Oc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC ZINC000159742797 544798551 /nfs/dbraw/zinc/79/85/51/544798551.db2.gz CYFWDWMLBTTZDJ-CQSZACIVSA-N 1 0 334.460 2.960 20 70 EFIDRO Cc1nccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1Cl ZINC000159734463 544798589 /nfs/dbraw/zinc/79/85/89/544798589.db2.gz RHFMTOCHIDRDJT-ZDUSSCGKSA-N 1 0 340.855 2.618 20 70 EFIDRO CSC[C@@H](CCO)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000160378206 273022128 /nfs/dbraw/zinc/02/21/28/273022128.db2.gz UWPCADUZKRXGAT-TXKKKEFDSA-N 1 0 334.485 2.523 20 70 EFIDRO COc1ccc(-c2nc3c(s2)[C@H](NC(=O)[C@@H](C)[NH3+])CCC3)cc1 ZINC000159700274 274104328 /nfs/dbraw/zinc/10/43/28/274104328.db2.gz VLGPFQQVUKIWLF-ZWNOBZJWSA-N 1 0 331.441 2.660 20 70 EFIDRO O=S(=O)(CCc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160145060 275031633 /nfs/dbraw/zinc/03/16/33/275031633.db2.gz YESIMZZKCINJGX-GOSISDBHSA-N 1 0 336.501 2.509 20 70 EFIDRO CC(C)[C@H](CNC(=O)NOCc1cccnc1)[NH+]1CCC(C)CC1 ZINC000161071348 275699324 /nfs/dbraw/zinc/69/93/24/275699324.db2.gz HUXKGMZIONELRN-KRWDZBQOSA-N 1 0 334.464 2.569 20 70 EFIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000160913569 279035277 /nfs/dbraw/zinc/03/52/77/279035277.db2.gz IRFNQTIFUZRWQN-UHOSZYNNSA-N 1 0 345.487 2.890 20 70 EFIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000160913698 279038959 /nfs/dbraw/zinc/03/89/59/279038959.db2.gz IRFNQTIFUZRWQN-QRQLOZEOSA-N 1 0 345.487 2.890 20 70 EFIDRO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000161253799 301575422 /nfs/dbraw/zinc/57/54/22/301575422.db2.gz LQCTVYHKFGWXQE-RBUKOAKNSA-N 1 0 330.472 2.687 20 70 EFIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000159461768 310687444 /nfs/dbraw/zinc/68/74/44/310687444.db2.gz WRGYQMKDGWAYGG-INIZCTEOSA-N 1 0 346.862 2.904 20 70 EFIDRO Cc1cc(C)n(CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000159752730 310691044 /nfs/dbraw/zinc/69/10/44/310691044.db2.gz PDIJUCKDAOAHMI-UHFFFAOYSA-N 1 0 349.523 2.653 20 70 EFIDRO CC(C)[NH2+]CCC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000159834194 310691904 /nfs/dbraw/zinc/69/19/04/310691904.db2.gz PQQWAULNRPJYGH-UHFFFAOYSA-N 1 0 340.489 2.727 20 70 EFIDRO Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCC[C@H]1C[NH3+] ZINC000160311847 310697408 /nfs/dbraw/zinc/69/74/08/310697408.db2.gz LNQHAKJQCUUNQN-FVNWOWOISA-N 1 0 342.418 2.591 20 70 EFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000160619682 310701058 /nfs/dbraw/zinc/70/10/58/310701058.db2.gz NWRGFGZTTHHLLG-MRVPVSSYSA-N 1 0 344.255 2.914 20 70 EFIDRO COC(=O)c1csc(NC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000160698104 310701931 /nfs/dbraw/zinc/70/19/31/310701931.db2.gz LMPCUBGMQUGFSG-UHFFFAOYSA-N 1 0 339.461 2.778 20 70 EFIDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000160791352 310702677 /nfs/dbraw/zinc/70/26/77/310702677.db2.gz AIHILNCEOSHPMO-CQSZACIVSA-N 1 0 339.395 2.933 20 70 EFIDRO COC(=O)C[C@H](NC(=O)C[NH2+]CC1CC1)c1ccc(C(C)(C)C)cc1 ZINC000160373508 533703306 /nfs/dbraw/zinc/70/33/06/533703306.db2.gz SZUYFEOSSGCCGD-KRWDZBQOSA-N 1 0 346.471 2.704 20 70 EFIDRO O=C(NOCc1cccnc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000161076651 473204803 /nfs/dbraw/zinc/20/48/03/473204803.db2.gz FNABBXFXFAVSNV-SFHVURJKSA-N 1 0 340.427 2.650 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000161153596 473211815 /nfs/dbraw/zinc/21/18/15/473211815.db2.gz DMPHUQSFFOPBNP-HNNXBMFYSA-N 1 0 341.411 2.664 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C1CC1 ZINC000161158995 473212756 /nfs/dbraw/zinc/21/27/56/473212756.db2.gz MWBGVAWFSXIBKW-KRWDZBQOSA-N 1 0 345.487 2.533 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)NC[C@H](C3CC3)[NH+](C)C)c2c1 ZINC000161156317 473213281 /nfs/dbraw/zinc/21/32/81/473213281.db2.gz RRRDZLUFRWMVCI-GOSISDBHSA-N 1 0 327.428 2.622 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000161172775 473214412 /nfs/dbraw/zinc/21/44/12/473214412.db2.gz XRDCHYOXNPGJNK-UHFFFAOYSA-N 1 0 331.460 2.807 20 70 EFIDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000161202079 473216954 /nfs/dbraw/zinc/21/69/54/473216954.db2.gz HSDUIKGSGRTLIB-INIZCTEOSA-N 1 0 326.444 2.754 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc(Cc3ccc(F)cc3)n2)C1 ZINC000161208007 473217477 /nfs/dbraw/zinc/21/74/77/473217477.db2.gz PSIQYWOKBUZLIQ-KBPBESRZSA-N 1 0 333.432 2.873 20 70 EFIDRO C[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000161229858 473218589 /nfs/dbraw/zinc/21/85/89/473218589.db2.gz JTULNTYCDRNFNH-HZPDHXFCSA-N 1 0 345.487 2.786 20 70 EFIDRO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000161227258 473219057 /nfs/dbraw/zinc/21/90/57/473219057.db2.gz HHZKAMYHUQOUQD-MFKMUULPSA-N 1 0 341.249 2.729 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000161225525 473219378 /nfs/dbraw/zinc/21/93/78/473219378.db2.gz AYTBXVBRFOSYRH-UHFFFAOYSA-N 1 0 340.489 2.713 20 70 EFIDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000161252833 473221109 /nfs/dbraw/zinc/22/11/09/473221109.db2.gz IPMTVYWSXHWXKT-GOSISDBHSA-N 1 0 340.471 2.556 20 70 EFIDRO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C[NH2+]CC2CC2)cc1 ZINC000161252178 473221212 /nfs/dbraw/zinc/22/12/12/473221212.db2.gz UXEBIKHCWLXAGP-IBGZPJMESA-N 1 0 330.472 2.545 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000161286703 473224259 /nfs/dbraw/zinc/22/42/59/473224259.db2.gz JDZJWKXAVDRIIL-VXGBXAGGSA-N 1 0 330.350 2.683 20 70 EFIDRO CCc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000161289430 473225078 /nfs/dbraw/zinc/22/50/78/473225078.db2.gz NVFXQINTWDLEOR-HNNXBMFYSA-N 1 0 343.471 2.984 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000161316852 473225752 /nfs/dbraw/zinc/22/57/52/473225752.db2.gz DLQJPHOHHOPOMT-UHFFFAOYSA-N 1 0 347.478 2.827 20 70 EFIDRO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)cc2)c1 ZINC000161393703 473231556 /nfs/dbraw/zinc/23/15/56/473231556.db2.gz LAQMPQRTFZPUAB-KRWDZBQOSA-N 1 0 348.454 2.790 20 70 EFIDRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161404983 473232774 /nfs/dbraw/zinc/23/27/74/473232774.db2.gz CXUHDIRYVUUNEC-AWEZNQCLSA-N 1 0 342.443 2.621 20 70 EFIDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000161418662 473234624 /nfs/dbraw/zinc/23/46/24/473234624.db2.gz RZPIQBQDVZPUJF-HOTGVXAUSA-N 1 0 347.507 2.657 20 70 EFIDRO COc1ccc(-c2nc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000161434063 473235174 /nfs/dbraw/zinc/23/51/74/473235174.db2.gz MLSOOCBFAYCDCV-STQMWFEESA-N 1 0 331.441 2.818 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000161439941 473235240 /nfs/dbraw/zinc/23/52/40/473235240.db2.gz ZAQFHGOLPDDASS-IRXDYDNUSA-N 1 0 325.412 2.660 20 70 EFIDRO COc1ccc(-c2nc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000161434330 473235348 /nfs/dbraw/zinc/23/53/48/473235348.db2.gz MLSOOCBFAYCDCV-OLZOCXBDSA-N 1 0 331.441 2.818 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(OCc3cscn3)c2)C1 ZINC000161434929 473235384 /nfs/dbraw/zinc/23/53/84/473235384.db2.gz FMTVREACHZWJTL-KBPBESRZSA-N 1 0 331.441 2.722 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(OCc3cscn3)c2)C1 ZINC000161434784 473235429 /nfs/dbraw/zinc/23/54/29/473235429.db2.gz FMTVREACHZWJTL-UONOGXRCSA-N 1 0 331.441 2.722 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc2[nH]cnc2c1 ZINC000159368977 473021664 /nfs/dbraw/zinc/02/16/64/473021664.db2.gz QLROMQWFAWYJAD-KUHUBIRLSA-N 1 0 334.423 2.813 20 70 EFIDRO CC(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)s1 ZINC000159377410 473022579 /nfs/dbraw/zinc/02/25/79/473022579.db2.gz GHZOYBLMLGMIBW-CYBMUJFWSA-N 1 0 345.534 2.560 20 70 EFIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000159388414 473024283 /nfs/dbraw/zinc/02/42/83/473024283.db2.gz ACRDMBWATFVHGI-UHFFFAOYSA-N 1 0 325.456 2.786 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2c(C)noc2C)cc1 ZINC000159439670 473028936 /nfs/dbraw/zinc/02/89/36/473028936.db2.gz PWLFDRCLCHDEFG-GFCCVEGCSA-N 1 0 336.457 2.978 20 70 EFIDRO C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159455013 473030342 /nfs/dbraw/zinc/03/03/42/473030342.db2.gz BDMGHENSBXNNAW-ROUUACIJSA-N 1 0 343.475 2.603 20 70 EFIDRO C[C@H]([NH3+])C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000159485655 473031146 /nfs/dbraw/zinc/03/11/46/473031146.db2.gz AKYIKXRBNUENSW-ZDUSSCGKSA-N 1 0 338.411 2.563 20 70 EFIDRO [NH3+]C1(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CCCCC1 ZINC000159490315 473032657 /nfs/dbraw/zinc/03/26/57/473032657.db2.gz YABRWGGBDCFDSN-AWEZNQCLSA-N 1 0 349.500 2.521 20 70 EFIDRO COC[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000159537105 473036630 /nfs/dbraw/zinc/03/66/30/473036630.db2.gz YCAVCUMTSCQORT-HNNXBMFYSA-N 1 0 344.377 2.995 20 70 EFIDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCCc4cc(F)ccc43)C2=O)n(C)n1 ZINC000159543070 473036783 /nfs/dbraw/zinc/03/67/83/473036783.db2.gz IHTHDNCJNINRHW-IRXDYDNUSA-N 1 0 342.418 2.640 20 70 EFIDRO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCN1CC(F)(F)F ZINC000159537397 473037103 /nfs/dbraw/zinc/03/71/03/473037103.db2.gz HEJADSCJNABSSK-KGLIPLIRSA-N 1 0 330.325 2.956 20 70 EFIDRO CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000159561600 473038871 /nfs/dbraw/zinc/03/88/71/473038871.db2.gz PLNHZMQZMRRMPC-RISCZKNCSA-N 1 0 330.350 2.603 20 70 EFIDRO CCOC(=O)N(C)C1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000159598329 473042592 /nfs/dbraw/zinc/04/25/92/473042592.db2.gz HYTCITWHKOYCIV-UHFFFAOYSA-N 1 0 330.432 2.695 20 70 EFIDRO C[C@@H](CCNC(=O)N(C)CC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000159629315 473046010 /nfs/dbraw/zinc/04/60/10/473046010.db2.gz NSVFFDSSGHKADP-KRWDZBQOSA-N 1 0 347.503 2.965 20 70 EFIDRO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159641148 473046713 /nfs/dbraw/zinc/04/67/13/473046713.db2.gz MZPIRKCMDAAETQ-YOEHRIQHSA-N 1 0 329.444 2.591 20 70 EFIDRO COC(=O)CC[N@H+](CCC(=O)c1ccc(C)cc1)C[C@H]1CCCO1 ZINC000159700030 473052925 /nfs/dbraw/zinc/05/29/25/473052925.db2.gz NQPPCCNDRXEPPD-QGZVFWFLSA-N 1 0 333.428 2.612 20 70 EFIDRO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C(=O)NC(C)(C)C ZINC000159731379 473054994 /nfs/dbraw/zinc/05/49/94/473054994.db2.gz BEOCYOVLWRUMRL-SECBINFHSA-N 1 0 331.229 2.981 20 70 EFIDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159718248 473055076 /nfs/dbraw/zinc/05/50/76/473055076.db2.gz JAAQVLPDAOMJGQ-UHFFFAOYSA-N 1 0 340.471 2.636 20 70 EFIDRO COc1ccc(Cl)cc1CN(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159807630 473062259 /nfs/dbraw/zinc/06/22/59/473062259.db2.gz UOFHSEYDUUYGGM-CQSZACIVSA-N 1 0 342.892 2.744 20 70 EFIDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000159790967 473062320 /nfs/dbraw/zinc/06/23/20/473062320.db2.gz PYCXMNRTZYAHEF-CQSZACIVSA-N 1 0 328.478 2.578 20 70 EFIDRO COC(=O)CCCOc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000159830176 473065188 /nfs/dbraw/zinc/06/51/88/473065188.db2.gz FCEBTWSLHSAUPL-SFHVURJKSA-N 1 0 342.395 2.657 20 70 EFIDRO CCN(Cc1cccc2c[nH]nc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159889685 473068604 /nfs/dbraw/zinc/06/86/04/473068604.db2.gz POOVONWWKRPEJP-UHFFFAOYSA-N 1 0 333.395 2.822 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000159901874 473069674 /nfs/dbraw/zinc/06/96/74/473069674.db2.gz WIIIJUHXHJMJFL-ZIAGYGMSSA-N 1 0 325.474 2.946 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000159897778 473069864 /nfs/dbraw/zinc/06/98/64/473069864.db2.gz LLVSICQDFVPAIO-NEWSRXKRSA-N 1 0 345.487 2.860 20 70 EFIDRO CCC[N@H+](CC)CCNC(=O)Cc1ccc(Br)c(F)c1 ZINC000159912402 473071167 /nfs/dbraw/zinc/07/11/67/473071167.db2.gz QUSVOQCXGRSRPT-UHFFFAOYSA-N 1 0 345.256 2.979 20 70 EFIDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000159930812 473073667 /nfs/dbraw/zinc/07/36/67/473073667.db2.gz ZVOUTTWBWWCGHF-ZFWWWQNUSA-N 1 0 340.489 2.545 20 70 EFIDRO CCO[C@@H](CCNC(=O)N1CCC[N@H+](CC)CC1)C1CCCC1 ZINC000159941015 473074117 /nfs/dbraw/zinc/07/41/17/473074117.db2.gz IIYDUUONKUXJAD-KRWDZBQOSA-N 1 0 325.497 2.709 20 70 EFIDRO Cc1cnccc1CCNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000159937536 473074879 /nfs/dbraw/zinc/07/48/79/473074879.db2.gz VSMMZIZYHLUJMX-YQQAZPJKSA-N 1 0 332.492 2.598 20 70 EFIDRO CC(C)c1ccc(CC2CC[NH+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000159946114 473074956 /nfs/dbraw/zinc/07/49/56/473074956.db2.gz RSGJLUCTGXWATQ-UHFFFAOYSA-N 1 0 331.460 2.650 20 70 EFIDRO C[C@@H](SCCN1CCOCC1)c1nc(-c2cccs2)no1 ZINC000160017670 473079780 /nfs/dbraw/zinc/07/97/80/473079780.db2.gz BJQNJDWYWHZLDQ-LLVKDONJSA-N 1 0 325.459 2.925 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccn1 ZINC000160031001 473081632 /nfs/dbraw/zinc/08/16/32/473081632.db2.gz LTJNXDNXRPNGRZ-AWEZNQCLSA-N 1 0 336.480 2.644 20 70 EFIDRO Cc1cccc([C@@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000160060171 473084614 /nfs/dbraw/zinc/08/46/14/473084614.db2.gz UIPFZRRJWSFTBU-IBGZPJMESA-N 1 0 344.503 2.516 20 70 EFIDRO C[C@H](CNC(=O)N(C)Cc1cccn1C)[N@H+](C)Cc1ccccc1 ZINC000160070176 473085470 /nfs/dbraw/zinc/08/54/70/473085470.db2.gz NZLFIOUVYGKQRW-MRXNPFEDSA-N 1 0 328.460 2.687 20 70 EFIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(Nc2cnccn2)c1 ZINC000160070508 473086036 /nfs/dbraw/zinc/08/60/36/473086036.db2.gz FHULNIULLIIKPJ-CQSZACIVSA-N 1 0 327.432 2.680 20 70 EFIDRO CC(C)[C@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000160108088 473088638 /nfs/dbraw/zinc/08/86/38/473088638.db2.gz QKDZGMHCNFIODS-BBWFWOEESA-N 1 0 325.497 2.562 20 70 EFIDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2nnnn2-c2ccccc2)C[C@H]1OC ZINC000160121171 473089496 /nfs/dbraw/zinc/08/94/96/473089496.db2.gz AWBNBGUWLCOZCF-NUEKZKHPSA-N 1 0 329.448 2.907 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC1CCOCC1 ZINC000160171101 473093253 /nfs/dbraw/zinc/09/32/53/473093253.db2.gz MUUDABXWUCXVBZ-KRWDZBQOSA-N 1 0 325.497 2.565 20 70 EFIDRO CCCCn1ncc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000160195403 473095069 /nfs/dbraw/zinc/09/50/69/473095069.db2.gz UURBXKGIGBOSEH-WBVHZDCISA-N 1 0 333.480 2.940 20 70 EFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160190124 473095820 /nfs/dbraw/zinc/09/58/20/473095820.db2.gz CHKUVBSQMWPMEF-MLGOLLRUSA-N 1 0 337.489 2.735 20 70 EFIDRO CCC[C@H]([NH2+][C@H](COC)C1CC1)C(=O)N1CCc2sccc2C1 ZINC000160213757 473096692 /nfs/dbraw/zinc/09/66/92/473096692.db2.gz YHQXMVPZUYWHRQ-JKSUJKDBSA-N 1 0 336.501 2.816 20 70 EFIDRO CC[C@H](COC)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000160199739 473097241 /nfs/dbraw/zinc/09/72/41/473097241.db2.gz JUTPKXQUNRRVKD-NVXWUHKLSA-N 1 0 333.476 2.936 20 70 EFIDRO CCc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CN2CCOCC2)o1 ZINC000160241272 473098862 /nfs/dbraw/zinc/09/88/62/473098862.db2.gz BCDBDNUDCJDNDN-ROJDOSBLSA-N 1 0 332.444 2.569 20 70 EFIDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc2c[nH]nc21 ZINC000160233087 473099684 /nfs/dbraw/zinc/09/96/84/473099684.db2.gz PFANZGUKHNCJCO-UHFFFAOYSA-N 1 0 340.402 2.840 20 70 EFIDRO C[C@]1(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCS1 ZINC000160240571 473099720 /nfs/dbraw/zinc/09/97/20/473099720.db2.gz PPUJECSRTUMTOA-GOSISDBHSA-N 1 0 333.501 2.630 20 70 EFIDRO CCC[C@H]1CN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000160274085 473103026 /nfs/dbraw/zinc/10/30/26/473103026.db2.gz PFKZOBHOIACDRP-KSZLIROESA-N 1 0 339.524 2.955 20 70 EFIDRO CCOC(=O)[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160279432 473104321 /nfs/dbraw/zinc/10/43/21/473104321.db2.gz XYXZAFWRKXAICE-INIZCTEOSA-N 1 0 338.492 2.546 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)o1 ZINC000160574257 473145290 /nfs/dbraw/zinc/14/52/90/473145290.db2.gz OXYOEPIJRRVVOU-LLVKDONJSA-N 1 0 329.238 2.892 20 70 EFIDRO O=C(/C=C/c1cc(Br)cs1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160295736 473105269 /nfs/dbraw/zinc/10/52/69/473105269.db2.gz IYFOKQHUQHWDKF-AHWSKYQCSA-N 1 0 341.274 2.877 20 70 EFIDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc(C)c1OCc1ccccn1 ZINC000160317726 473106381 /nfs/dbraw/zinc/10/63/81/473106381.db2.gz OHFUYAWLORNWQB-GOSISDBHSA-N 1 0 339.439 2.727 20 70 EFIDRO Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160311699 473106475 /nfs/dbraw/zinc/10/64/75/473106475.db2.gz LNQHAKJQCUUNQN-OAGJVSPASA-N 1 0 342.418 2.591 20 70 EFIDRO O=C(CC[NH+]1CCN(c2cccs2)CC1)NCC1CCCCC1 ZINC000160310400 473106891 /nfs/dbraw/zinc/10/68/91/473106891.db2.gz SCZTXDVWWDUOJS-UHFFFAOYSA-N 1 0 335.517 2.957 20 70 EFIDRO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)cc(C)c1OCc1ccccn1 ZINC000160317879 473107765 /nfs/dbraw/zinc/10/77/65/473107765.db2.gz OHFUYAWLORNWQB-SFHVURJKSA-N 1 0 339.439 2.727 20 70 EFIDRO COC(=O)C[C@@H](NC(=O)C[NH2+]CC1CC1)c1ccc(C(C)(C)C)cc1 ZINC000160373388 473114836 /nfs/dbraw/zinc/11/48/36/473114836.db2.gz SZUYFEOSSGCCGD-QGZVFWFLSA-N 1 0 346.471 2.704 20 70 EFIDRO COCC1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160400042 473118500 /nfs/dbraw/zinc/11/85/00/473118500.db2.gz FDAUEAKGFSBEJI-VQIMIIECSA-N 1 0 345.487 2.717 20 70 EFIDRO CSc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1F ZINC000160408659 473119484 /nfs/dbraw/zinc/11/94/84/473119484.db2.gz WKOGDMLTPOZMEH-CQSZACIVSA-N 1 0 340.464 2.730 20 70 EFIDRO CCC[C@H]1CN(C(=O)N[C@@H]2CCCc3occc32)CC[N@@H+]1CCOC ZINC000160432213 473124545 /nfs/dbraw/zinc/12/45/45/473124545.db2.gz NTIVHGJLBFMKHO-DOTOQJQBSA-N 1 0 349.475 2.799 20 70 EFIDRO CCC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccccc1 ZINC000160481924 473130923 /nfs/dbraw/zinc/13/09/23/473130923.db2.gz DFFVMFLPEZUWBT-UHFFFAOYSA-N 1 0 342.487 2.977 20 70 EFIDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000160520706 473136600 /nfs/dbraw/zinc/13/66/00/473136600.db2.gz OORHXZHGOVPOJG-RTBURBONSA-N 1 0 347.503 2.617 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)CN(Cc1cccnc1)c1ccccc1 ZINC000160541108 473139057 /nfs/dbraw/zinc/13/90/57/473139057.db2.gz IWUNVSJUGFWHJI-UHFFFAOYSA-N 1 0 340.471 2.722 20 70 EFIDRO C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)(C)C[NH+](C)C ZINC000160544546 473139143 /nfs/dbraw/zinc/13/91/43/473139143.db2.gz VHMBQTVFLDPMKI-ZDUSSCGKSA-N 1 0 344.463 2.580 20 70 EFIDRO Cc1c(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cnn1CCC(C)C ZINC000160552488 473140506 /nfs/dbraw/zinc/14/05/06/473140506.db2.gz ITBZNXWLNZAUPW-UHFFFAOYSA-N 1 0 347.467 2.640 20 70 EFIDRO CCC(CC)CNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000160563882 473143765 /nfs/dbraw/zinc/14/37/65/473143765.db2.gz YVVCPOXHWKAMFB-IRXDYDNUSA-N 1 0 338.540 2.623 20 70 EFIDRO CC(C)Sc1ccccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160563238 473144032 /nfs/dbraw/zinc/14/40/32/473144032.db2.gz IJDWDROOZZYMNN-UHFFFAOYSA-N 1 0 336.501 2.621 20 70 EFIDRO CCCNC(=O)c1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000160597253 473149025 /nfs/dbraw/zinc/14/90/25/473149025.db2.gz QTSUGWSTWUMITJ-UHFFFAOYSA-N 1 0 339.430 2.646 20 70 EFIDRO CCc1cc(=O)[nH]c(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000160607070 473151308 /nfs/dbraw/zinc/15/13/08/473151308.db2.gz AACGXXCUFCNPBW-AWEZNQCLSA-N 1 0 340.427 2.595 20 70 EFIDRO CCCC1(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000160633658 473154297 /nfs/dbraw/zinc/15/42/97/473154297.db2.gz DMKFOZOVGJUERI-UHFFFAOYSA-N 1 0 329.488 2.744 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160635645 473155406 /nfs/dbraw/zinc/15/54/06/473155406.db2.gz FSSPNVUYRAMALD-ROUUACIJSA-N 1 0 337.508 2.707 20 70 EFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccc(F)c1)C1CC1 ZINC000160636386 473155450 /nfs/dbraw/zinc/15/54/50/473155450.db2.gz HDTZWCOVZFBWOZ-QGZVFWFLSA-N 1 0 331.435 2.984 20 70 EFIDRO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000160649079 473156396 /nfs/dbraw/zinc/15/63/96/473156396.db2.gz KGQHQZBHRKAKEX-QGZVFWFLSA-N 1 0 339.443 2.544 20 70 EFIDRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1F ZINC000160655295 473156975 /nfs/dbraw/zinc/15/69/75/473156975.db2.gz LAUAHLWJUZSHLJ-INIZCTEOSA-N 1 0 340.395 2.853 20 70 EFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCSC[C@@H]1c1ccccc1 ZINC000160668534 473158885 /nfs/dbraw/zinc/15/88/85/473158885.db2.gz RBKDHGSXTSNVMW-ZWKOTPCHSA-N 1 0 345.512 2.970 20 70 EFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCSC[C@@H]1c1ccccc1 ZINC000160668284 473159060 /nfs/dbraw/zinc/15/90/60/473159060.db2.gz RBKDHGSXTSNVMW-QZTJIDSGSA-N 1 0 345.512 2.970 20 70 EFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000160670970 473159260 /nfs/dbraw/zinc/15/92/60/473159260.db2.gz IELMBNZSZALUJI-HUUCEWRRSA-N 1 0 341.459 2.570 20 70 EFIDRO CCOC(=O)C[C@@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000160681470 473160534 /nfs/dbraw/zinc/16/05/34/473160534.db2.gz MOORELQHCSSFFT-GFCCVEGCSA-N 1 0 332.400 2.566 20 70 EFIDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000160713988 473165725 /nfs/dbraw/zinc/16/57/25/473165725.db2.gz NIBZIQKSQMAVRA-QGZVFWFLSA-N 1 0 336.432 2.845 20 70 EFIDRO Cc1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160720465 473165795 /nfs/dbraw/zinc/16/57/95/473165795.db2.gz MPQPLHFFNKYSHP-VQTJNVASSA-N 1 0 344.499 2.812 20 70 EFIDRO CCCN(C(=O)c1ccc(Br)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000160730205 473167473 /nfs/dbraw/zinc/16/74/73/473167473.db2.gz DDOOFUQMKOCTPF-GFCCVEGCSA-N 1 0 341.249 2.672 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000160734811 473168382 /nfs/dbraw/zinc/16/83/82/473168382.db2.gz GRGUBGPCRBAOTP-MFKMUULPSA-N 1 0 341.249 2.705 20 70 EFIDRO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000160741917 473169352 /nfs/dbraw/zinc/16/93/52/473169352.db2.gz KJKRWQPDFSZMMW-MFKMUULPSA-N 1 0 341.249 2.657 20 70 EFIDRO Cc1nc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)sc1C ZINC000160746282 473169569 /nfs/dbraw/zinc/16/95/69/473169569.db2.gz GFHILALNSIIIEI-CQSZACIVSA-N 1 0 336.505 2.779 20 70 EFIDRO Cc1nc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)sc1C ZINC000160746395 473169894 /nfs/dbraw/zinc/16/98/94/473169894.db2.gz GFHILALNSIIIEI-AWEZNQCLSA-N 1 0 336.505 2.779 20 70 EFIDRO CCS[C@@H]1CCCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160747366 473169988 /nfs/dbraw/zinc/16/99/88/473169988.db2.gz WYBNLPTWSYXLOE-HZPDHXFCSA-N 1 0 325.522 2.788 20 70 EFIDRO CN(C)c1ccc(-c2cncc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000160756551 473171146 /nfs/dbraw/zinc/17/11/46/473171146.db2.gz INSCDYWNKFQFHQ-QZTJIDSGSA-N 1 0 338.455 2.814 20 70 EFIDRO CN(C)c1ccc(-c2cncc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000160756420 473171637 /nfs/dbraw/zinc/17/16/37/473171637.db2.gz INSCDYWNKFQFHQ-ROUUACIJSA-N 1 0 338.455 2.814 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000160772698 473173432 /nfs/dbraw/zinc/17/34/32/473173432.db2.gz VYYQQOUEGRVKLZ-UHFFFAOYSA-N 1 0 339.461 2.965 20 70 EFIDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160785971 473175247 /nfs/dbraw/zinc/17/52/47/473175247.db2.gz ZXQCNTUHIKMVEU-ZWKOTPCHSA-N 1 0 338.455 2.751 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000160851304 473183679 /nfs/dbraw/zinc/18/36/79/473183679.db2.gz JVTRUKGUSYJISE-CABCVRRESA-N 1 0 346.406 2.585 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000160853548 473183805 /nfs/dbraw/zinc/18/38/05/473183805.db2.gz HAEODIOUDKMQGQ-HIFRSBDPSA-N 1 0 327.384 2.532 20 70 EFIDRO O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CCC[NH2+]CC1 ZINC000160862001 473184960 /nfs/dbraw/zinc/18/49/60/473184960.db2.gz CSIXCNKRWFNDQK-FNORWQNLSA-N 1 0 341.386 2.848 20 70 EFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1cccnc1)C1CC1 ZINC000160862344 473185260 /nfs/dbraw/zinc/18/52/60/473185260.db2.gz CURCPAXCHVCYHU-INIZCTEOSA-N 1 0 328.460 2.773 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000160882902 473186912 /nfs/dbraw/zinc/18/69/12/473186912.db2.gz UDXGWUDJVGLMNA-AEFFLSMTSA-N 1 0 337.423 2.939 20 70 EFIDRO CCCO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160879358 473187034 /nfs/dbraw/zinc/18/70/34/473187034.db2.gz HDZYHVMGDAKNSH-FUHWJXTLSA-N 1 0 337.508 2.994 20 70 EFIDRO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000160882600 473187216 /nfs/dbraw/zinc/18/72/16/473187216.db2.gz VXBYEZDZXBRSNP-OALUTQOASA-N 1 0 343.471 2.644 20 70 EFIDRO C[NH+](C)CC[C@H](NC(=O)NCCc1ccc(Cl)nc1)C(C)(C)C ZINC000160903217 473189841 /nfs/dbraw/zinc/18/98/41/473189841.db2.gz HFRQBKNLCVKTMT-AWEZNQCLSA-N 1 0 340.899 2.943 20 70 EFIDRO CC[C@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1ccc(F)cc1 ZINC000160941351 473193274 /nfs/dbraw/zinc/19/32/74/473193274.db2.gz ZKCVBUBRPBNXAH-KRWDZBQOSA-N 1 0 342.418 2.961 20 70 EFIDRO CC(C)[NH+](CCS[C@@H]1CCCN(c2cnn(C)c2)C1=O)C(C)C ZINC000160960827 473194550 /nfs/dbraw/zinc/19/45/50/473194550.db2.gz DNIFIEUKAOAFIT-MRXNPFEDSA-N 1 0 338.521 2.768 20 70 EFIDRO C[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000160958849 473194697 /nfs/dbraw/zinc/19/46/97/473194697.db2.gz BQBNXMONPIVCHC-ZDUSSCGKSA-N 1 0 346.443 2.506 20 70 EFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000160967763 473195016 /nfs/dbraw/zinc/19/50/16/473195016.db2.gz VMYIMYOAVFCYOD-APWZRJJASA-N 1 0 329.488 2.672 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(n2ccnc2)CC1 ZINC000160967182 473195430 /nfs/dbraw/zinc/19/54/30/473195430.db2.gz GJZXSPRRIAXCRI-SFHVURJKSA-N 1 0 347.507 2.740 20 70 EFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000160980662 473196866 /nfs/dbraw/zinc/19/68/66/473196866.db2.gz RHRRWUNCWZUHFH-PBHICJAKSA-N 1 0 344.480 2.975 20 70 EFIDRO Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)cn1 ZINC000160979482 473196895 /nfs/dbraw/zinc/19/68/95/473196895.db2.gz PTHJVQHAZNSGJJ-ZWKOTPCHSA-N 1 0 339.439 2.969 20 70 EFIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(F)cc1F ZINC000160996627 473197332 /nfs/dbraw/zinc/19/73/32/473197332.db2.gz OOXWHOSLABKPBQ-ABAIWWIYSA-N 1 0 341.402 2.876 20 70 EFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000161003279 473198040 /nfs/dbraw/zinc/19/80/40/473198040.db2.gz HUIKUZWENOQXFZ-YOEHRIQHSA-N 1 0 344.480 2.975 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000161001394 473198413 /nfs/dbraw/zinc/19/84/13/473198413.db2.gz MVNJOIYJVQHADS-UHFFFAOYSA-N 1 0 332.492 2.977 20 70 EFIDRO CCCCOCCN(C(=O)[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000161014888 473199226 /nfs/dbraw/zinc/19/92/26/473199226.db2.gz PFCXTAFPNZTZFS-LBPRGKRZSA-N 1 0 343.265 2.946 20 70 EFIDRO CCC1(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1 ZINC000161050006 473201491 /nfs/dbraw/zinc/20/14/91/473201491.db2.gz WMIMGBUGZXIJTA-MRXNPFEDSA-N 1 0 337.508 2.757 20 70 EFIDRO COc1ccc(OCCCNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000161049185 473201838 /nfs/dbraw/zinc/20/18/38/473201838.db2.gz FMHCNSSOTVUYQC-UHFFFAOYSA-N 1 0 342.439 2.956 20 70 EFIDRO CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161055425 473202510 /nfs/dbraw/zinc/20/25/10/473202510.db2.gz BXBYSEWANYAKOV-LSDHHAIUSA-N 1 0 342.443 2.661 20 70 EFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000161059930 473202704 /nfs/dbraw/zinc/20/27/04/473202704.db2.gz VLQIHJIKRZGMAH-HONMWMINSA-N 1 0 330.881 2.613 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000161066542 473203397 /nfs/dbraw/zinc/20/33/97/473203397.db2.gz NRCGXHUCUIYDTN-HOTGVXAUSA-N 1 0 336.863 2.774 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CCO1 ZINC000161062061 473203506 /nfs/dbraw/zinc/20/35/06/473203506.db2.gz BFWHJXCHXBBAKP-MSOLQXFVSA-N 1 0 333.476 2.808 20 70 EFIDRO CC[NH+](CC)CCNC(=O)NCCc1cccc(Br)c1 ZINC000217485661 474141627 /nfs/dbraw/zinc/14/16/27/474141627.db2.gz DPVBUHMVUSKOOT-UHFFFAOYSA-N 1 0 342.281 2.633 20 70 EFIDRO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160365748 533964929 /nfs/dbraw/zinc/96/49/29/533964929.db2.gz XIBHAQRSHSUORD-APWZRJJASA-N 1 0 338.451 2.994 20 70 EFIDRO Cc1cccc(C(=O)N[C@H](C(=O)NCC2([NH3+])CCCCC2)C(C)C)c1 ZINC000159485668 534618003 /nfs/dbraw/zinc/61/80/03/534618003.db2.gz ZTFLRUYOCMYEQC-KRWDZBQOSA-N 1 0 345.487 2.527 20 70 EFIDRO COc1ccc(Cl)cc1CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159735462 524201564 /nfs/dbraw/zinc/20/15/64/524201564.db2.gz LEGCBFIQHWHUIK-UHFFFAOYSA-N 1 0 336.863 2.882 20 70 EFIDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000159930937 525684658 /nfs/dbraw/zinc/68/46/58/525684658.db2.gz ZVOUTTWBWWCGHF-HIFRSBDPSA-N 1 0 340.489 2.545 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000161360059 526700004 /nfs/dbraw/zinc/70/00/04/526700004.db2.gz JPJVUGQMJMXMKT-ZLPCBKJTSA-N 1 0 333.451 2.689 20 70 EFIDRO O=C(c1csc(-c2ccccn2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159766283 526900401 /nfs/dbraw/zinc/90/04/01/526900401.db2.gz YAXNXSIOMZNHRV-UHFFFAOYSA-N 1 0 342.468 2.809 20 70 EFIDRO [NH3+][C@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000216915527 527381439 /nfs/dbraw/zinc/38/14/39/527381439.db2.gz TZHYCUFDWOBNRA-KRWDZBQOSA-N 1 0 329.831 2.689 20 70 EFIDRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000160193499 527521159 /nfs/dbraw/zinc/52/11/59/527521159.db2.gz JPIAJSOTTADIKE-MRXNPFEDSA-N 1 0 338.879 2.581 20 70 EFIDRO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160210794 527606300 /nfs/dbraw/zinc/60/63/00/527606300.db2.gz OXKVODOKNXZHRX-OKILXGFUSA-N 1 0 347.434 2.777 20 70 EFIDRO CC(C)CCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160966800 527790588 /nfs/dbraw/zinc/79/05/88/527790588.db2.gz HHBCTLYCQJGQGH-UHFFFAOYSA-N 1 0 330.538 2.995 20 70 EFIDRO CCNC(=O)c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000160229166 528261914 /nfs/dbraw/zinc/26/19/14/528261914.db2.gz AKVMQDOFMYBMRK-YJBOKZPZSA-N 1 0 338.455 2.764 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)C2(c3ccc(C)cc3)CCOCC2)CC1 ZINC000161052748 528281125 /nfs/dbraw/zinc/28/11/25/528281125.db2.gz FACGHUPHDMWAJS-UHFFFAOYSA-N 1 0 344.499 2.891 20 70 EFIDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161200118 528387374 /nfs/dbraw/zinc/38/73/74/528387374.db2.gz FKCAFSPUYQGUOQ-LJQANCHMSA-N 1 0 326.444 2.612 20 70 EFIDRO CCCc1c(C(=O)N2CCC(C[NH2+]CC)CC2)[nH]c(C)c1C(C)=O ZINC000161085884 528550867 /nfs/dbraw/zinc/55/08/67/528550867.db2.gz CXKDRQOFBMTKEC-UHFFFAOYSA-N 1 0 333.476 2.940 20 70 EFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159621178 528582857 /nfs/dbraw/zinc/58/28/57/528582857.db2.gz PUJLYULBUHDUQZ-LJQANCHMSA-N 1 0 343.471 2.620 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000161183406 528649058 /nfs/dbraw/zinc/64/90/58/528649058.db2.gz FNLYSOCLWWRGIC-UHFFFAOYSA-N 1 0 325.840 2.502 20 70 EFIDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000159394044 529399139 /nfs/dbraw/zinc/39/91/39/529399139.db2.gz XRARDMBSMUSDIN-GOEBONIOSA-N 1 0 342.505 2.793 20 70 EFIDRO CCc1cc2c(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)cc(=O)oc2cc1O ZINC000159832436 529570073 /nfs/dbraw/zinc/57/00/73/529570073.db2.gz ZPGFNPMYSQVBTO-BBRMVZONSA-N 1 0 331.412 2.654 20 70 EFIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160288115 529704084 /nfs/dbraw/zinc/70/40/84/529704084.db2.gz GOOYYBBZZCSGOW-QFBILLFUSA-N 1 0 332.488 2.706 20 70 EFIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000159733144 529993918 /nfs/dbraw/zinc/99/39/18/529993918.db2.gz GFBMVJCGQQKZSA-ZDUSSCGKSA-N 1 0 345.468 2.814 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000161350968 530002948 /nfs/dbraw/zinc/00/29/48/530002948.db2.gz HFINWHZLARTRTR-ZWNOBZJWSA-N 1 0 331.243 2.971 20 70 EFIDRO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4cc(F)ccc43)C2=O)n1 ZINC000159542674 282712914 /nfs/dbraw/zinc/71/29/14/282712914.db2.gz QLPLJNNAGOFHNX-DLBZAZTESA-N 1 0 342.418 2.722 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000161286959 283562448 /nfs/dbraw/zinc/56/24/48/283562448.db2.gz JDZJWKXAVDRIIL-NEPJUHHUSA-N 1 0 330.350 2.683 20 70 EFIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)c(C)n1-c1nccs1 ZINC000159662068 239033390 /nfs/dbraw/zinc/03/33/90/239033390.db2.gz AIRBYINQEAWDBC-UHFFFAOYSA-N 1 0 332.473 2.942 20 70 EFIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160515298 239050727 /nfs/dbraw/zinc/05/07/27/239050727.db2.gz CKIRLXUCYIWZEH-OAHLLOKOSA-N 1 0 349.438 2.552 20 70 EFIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160515192 239051416 /nfs/dbraw/zinc/05/14/16/239051416.db2.gz CKIRLXUCYIWZEH-HNNXBMFYSA-N 1 0 349.438 2.552 20 70 EFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000160814032 284053843 /nfs/dbraw/zinc/05/38/43/284053843.db2.gz KSGXSHUYDDNAKK-ZBFHGGJFSA-N 1 0 331.464 2.663 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000160811938 533030992 /nfs/dbraw/zinc/03/09/92/533030992.db2.gz CQDNGTAAOMXTSL-QMMMGPOBSA-N 1 0 335.256 2.838 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)C1 ZINC000160771545 533037659 /nfs/dbraw/zinc/03/76/59/533037659.db2.gz SVHWHJODIMTUQL-LPHOPBHVSA-N 1 0 338.451 2.865 20 70 EFIDRO COc1ccc(/C=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)c(OC)c1 ZINC000159750517 533229556 /nfs/dbraw/zinc/22/95/56/533229556.db2.gz IHLXZVJBGJMYEJ-SOFGYWHQSA-N 1 0 344.455 2.708 20 70 EFIDRO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000161372422 533257313 /nfs/dbraw/zinc/25/73/13/533257313.db2.gz SLJXGTALROEWFL-YJYMSZOUSA-N 1 0 329.444 2.602 20 70 EFIDRO COc1ccc(C(F)(F)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000159728479 533369001 /nfs/dbraw/zinc/36/90/01/533369001.db2.gz WEHUHDFAFYGWCV-BBRMVZONSA-N 1 0 338.398 2.730 20 70 EFIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000159408638 533400838 /nfs/dbraw/zinc/40/08/38/533400838.db2.gz WYNIQKMOFRATFR-QGZVFWFLSA-N 1 0 347.484 2.529 20 70 EFIDRO COc1cccc(C2(NC(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000159731155 533437572 /nfs/dbraw/zinc/43/75/72/533437572.db2.gz SNZJJLFDGFOOEN-UHFFFAOYSA-N 1 0 329.444 2.610 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCOCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160337528 533607302 /nfs/dbraw/zinc/60/73/02/533607302.db2.gz HRTJJGPBXPMPAF-VQIMIIECSA-N 1 0 345.487 2.717 20 70 EFIDRO COC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000160373896 533608905 /nfs/dbraw/zinc/60/89/05/533608905.db2.gz VGMNZMWPMFZXDH-DLBZAZTESA-N 1 0 346.471 2.847 20 70 EFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cscn2)C[N@@H+]1Cc1ccccc1 ZINC000159896587 533610639 /nfs/dbraw/zinc/61/06/39/533610639.db2.gz OJERRNCVMQAKPR-GDBMZVCRSA-N 1 0 344.484 2.948 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160043297 533603508 /nfs/dbraw/zinc/60/35/08/533603508.db2.gz YISHNIHWTRITML-CYBMUJFWSA-N 1 0 332.872 2.953 20 70 EFIDRO COC(=O)c1[nH]c(C)c(C(=O)NCCCCC[NH+]2CCCCC2)c1C ZINC000159821304 533651950 /nfs/dbraw/zinc/65/19/50/533651950.db2.gz MUHGYNDAZNMCQJ-UHFFFAOYSA-N 1 0 349.475 2.804 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000161103568 286670791 /nfs/dbraw/zinc/67/07/91/286670791.db2.gz DVRISQMOSVKOSK-BRWVUGGUSA-N 1 0 336.501 2.659 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000161103687 286670537 /nfs/dbraw/zinc/67/05/37/286670537.db2.gz DVRISQMOSVKOSK-ZACQAIPSSA-N 1 0 336.501 2.659 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc(F)c1 ZINC000159494539 225228826 /nfs/dbraw/zinc/22/88/26/225228826.db2.gz OFFWSEYBRVZTAD-KURKYZTESA-N 1 0 349.450 2.685 20 70 EFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000159380214 225204975 /nfs/dbraw/zinc/20/49/75/225204975.db2.gz IQQSZIVRYJXZAM-HOTGVXAUSA-N 1 0 326.440 2.917 20 70 EFIDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(O)c1C ZINC000159458465 225221519 /nfs/dbraw/zinc/22/15/19/225221519.db2.gz JAHXDQSGHPECPM-QZTJIDSGSA-N 1 0 346.471 2.507 20 70 EFIDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(O)c1C ZINC000159458590 225222332 /nfs/dbraw/zinc/22/23/32/225222332.db2.gz JAHXDQSGHPECPM-ZWKOTPCHSA-N 1 0 346.471 2.507 20 70 EFIDRO Cc1c(/C=C/C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cnn1C ZINC000159772517 225274781 /nfs/dbraw/zinc/27/47/81/225274781.db2.gz KBPHWTAVSOLCQC-ZHACJKMWSA-N 1 0 340.471 2.898 20 70 EFIDRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000159802033 225282168 /nfs/dbraw/zinc/28/21/68/225282168.db2.gz AHTJZNUQEUDCJS-UHFFFAOYSA-N 1 0 332.835 2.818 20 70 EFIDRO Cc1cc(Br)ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159833824 225286590 /nfs/dbraw/zinc/28/65/90/225286590.db2.gz HFAOWWSACZXWJM-UHFFFAOYSA-N 1 0 325.250 2.845 20 70 EFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc2nc[nH]c21 ZINC000159833978 225287142 /nfs/dbraw/zinc/28/71/42/225287142.db2.gz LFESAUSEBDQMIA-UHFFFAOYSA-N 1 0 328.441 2.828 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccccn1 ZINC000159977704 225312955 /nfs/dbraw/zinc/31/29/55/225312955.db2.gz ZLGBNFUMFKDZGV-APWZRJJASA-N 1 0 338.455 2.744 20 70 EFIDRO Cc1cc(Br)ccc1SCC(=O)NCC(C)(C)[NH3+] ZINC000159978329 225313078 /nfs/dbraw/zinc/31/30/78/225313078.db2.gz XSJIZFXTCPJSED-UHFFFAOYSA-N 1 0 331.279 2.703 20 70 EFIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000159563825 225239486 /nfs/dbraw/zinc/23/94/86/225239486.db2.gz POZGTEIVDFQEIG-PBHICJAKSA-N 1 0 334.435 2.721 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000159638076 225253965 /nfs/dbraw/zinc/25/39/65/225253965.db2.gz ARJYZSVEGKXBLW-UHFFFAOYSA-N 1 0 343.427 2.677 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000160253559 225371268 /nfs/dbraw/zinc/37/12/68/225371268.db2.gz HZPNQVVEZRZBFL-QGZVFWFLSA-N 1 0 338.411 2.894 20 70 EFIDRO [NH3+][C@@H]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000160267215 225376033 /nfs/dbraw/zinc/37/60/33/225376033.db2.gz RLXQMYLIQRHMLT-CQSZACIVSA-N 1 0 349.228 2.541 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000160283189 225380106 /nfs/dbraw/zinc/38/01/06/225380106.db2.gz WRDNEAGDIHOXLQ-QGZVFWFLSA-N 1 0 341.386 2.641 20 70 EFIDRO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160303632 225384557 /nfs/dbraw/zinc/38/45/57/225384557.db2.gz QHNNHJIQRMXMHS-XYJFISCASA-N 1 0 333.476 2.672 20 70 EFIDRO Cc1nn(Cc2ccccc2)c2sc(C(=O)NCC(C)(C)[NH3+])cc12 ZINC000160079213 225334280 /nfs/dbraw/zinc/33/42/80/225334280.db2.gz SVOIVGGTRKGEMZ-UHFFFAOYSA-N 1 0 342.468 2.922 20 70 EFIDRO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160141658 225346339 /nfs/dbraw/zinc/34/63/39/225346339.db2.gz IVUDLPGCZJQINU-OAHLLOKOSA-N 1 0 344.427 2.604 20 70 EFIDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ncccc2O)CC1 ZINC000160155433 225349144 /nfs/dbraw/zinc/34/91/44/225349144.db2.gz JFTJKBVBYMCVGA-HNNXBMFYSA-N 1 0 331.460 2.904 20 70 EFIDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ncccc2O)CC1 ZINC000160155282 225350421 /nfs/dbraw/zinc/35/04/21/225350421.db2.gz JFTJKBVBYMCVGA-OAHLLOKOSA-N 1 0 331.460 2.904 20 70 EFIDRO O=S(=O)(c1c(F)cccc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160159955 225351445 /nfs/dbraw/zinc/35/14/45/225351445.db2.gz MPSKSNCNTNLNNZ-ZDUSSCGKSA-N 1 0 344.427 2.604 20 70 EFIDRO O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160167341 225353156 /nfs/dbraw/zinc/35/31/56/225353156.db2.gz NHKLLHMPGAMSIX-CQSZACIVSA-N 1 0 342.892 2.979 20 70 EFIDRO O=S(=O)(c1ccc(F)cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160175531 225355005 /nfs/dbraw/zinc/35/50/05/225355005.db2.gz OQIFUFJYDGOFSX-AWEZNQCLSA-N 1 0 344.427 2.604 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000160184211 225356887 /nfs/dbraw/zinc/35/68/87/225356887.db2.gz PNEKUFZXBZYDDM-STQMWFEESA-N 1 0 342.892 2.899 20 70 EFIDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000160225599 225366197 /nfs/dbraw/zinc/36/61/97/225366197.db2.gz NFPIWGSRDGYCPC-KYNGSXCRSA-N 1 0 348.462 2.813 20 70 EFIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCc1cscn1 ZINC000160071012 544801540 /nfs/dbraw/zinc/80/15/40/544801540.db2.gz UNIDQLKHSADVEA-UHFFFAOYSA-N 1 0 346.500 2.895 20 70 EFIDRO C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000160116591 544802473 /nfs/dbraw/zinc/80/24/73/544802473.db2.gz OMTFPKNKTLGTSC-FZMZJTMJSA-N 1 0 345.365 2.632 20 70 EFIDRO CCn1nccc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000160143318 544802569 /nfs/dbraw/zinc/80/25/69/544802569.db2.gz KWTMAQKSGOCEJK-UHFFFAOYSA-N 1 0 338.205 2.684 20 70 EFIDRO CCOCCC1(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000161106203 544810080 /nfs/dbraw/zinc/81/00/80/544810080.db2.gz OFXYBXKIEHCIKH-QGZVFWFLSA-N 1 0 337.508 2.757 20 70 EFIDRO CCOc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161324022 544813826 /nfs/dbraw/zinc/81/38/26/544813826.db2.gz OKVRWJDDMDEKHE-UHFFFAOYSA-N 1 0 327.428 2.681 20 70 EFIDRO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161332463 544814131 /nfs/dbraw/zinc/81/41/31/544814131.db2.gz TYNZSSUODDPDPQ-AWEZNQCLSA-N 1 0 344.846 2.884 20 70 EFIDRO C[C@@H](CC(=O)NCc1ccccc1OCC[NH+](C)C)c1ccncc1 ZINC000159559975 544797485 /nfs/dbraw/zinc/79/74/85/544797485.db2.gz UXWRTTYFGIPCFQ-INIZCTEOSA-N 1 0 341.455 2.832 20 70 EFIDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC000160379313 273022069 /nfs/dbraw/zinc/02/20/69/273022069.db2.gz ZZFGWORUOAVOST-YUELXQCFSA-N 1 0 335.473 2.551 20 70 EFIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160378314 273022141 /nfs/dbraw/zinc/02/21/41/273022141.db2.gz YGJIRFRYJFTTIT-KURKYZTESA-N 1 0 335.492 2.604 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000161309425 273492165 /nfs/dbraw/zinc/49/21/65/273492165.db2.gz MMULRKVGCDZHID-UHFFFAOYSA-N 1 0 343.515 2.996 20 70 EFIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000161210616 275477390 /nfs/dbraw/zinc/47/73/90/275477390.db2.gz RRJFPMCQWXYKPO-SOAGJPPSSA-N 1 0 329.488 2.860 20 70 EFIDRO CC1(C)Cc2cccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2O1 ZINC000161436762 275873195 /nfs/dbraw/zinc/87/31/95/275873195.db2.gz SVIPMCXRZSWFGZ-INIZCTEOSA-N 1 0 333.395 2.846 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000161350849 277284704 /nfs/dbraw/zinc/28/47/04/277284704.db2.gz HFINWHZLARTRTR-GXFFZTMASA-N 1 0 331.243 2.971 20 70 EFIDRO CC(C)(CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[NH+]1CCCCC1 ZINC000161250727 277301436 /nfs/dbraw/zinc/30/14/36/277301436.db2.gz MOFFQUZTEPHOOY-OAGGEKHMSA-N 1 0 335.492 2.508 20 70 EFIDRO CCCC[C@H](COC)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160406242 278736497 /nfs/dbraw/zinc/73/64/97/278736497.db2.gz HNGKVWVWRXNMDM-SJORKVTESA-N 1 0 325.497 2.852 20 70 EFIDRO CC[NH+](CC)C[C@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000159831170 279135921 /nfs/dbraw/zinc/13/59/21/279135921.db2.gz IXIRGWFDWKECJB-VQIMIIECSA-N 1 0 347.478 2.985 20 70 EFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1(CCOC)CCCC1 ZINC000160103100 279271640 /nfs/dbraw/zinc/27/16/40/279271640.db2.gz XDIPZADASVVIAQ-MRXNPFEDSA-N 1 0 325.497 2.757 20 70 EFIDRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000161227013 298281541 /nfs/dbraw/zinc/28/15/41/298281541.db2.gz HHZKAMYHUQOUQD-ZWNOBZJWSA-N 1 0 341.249 2.729 20 70 EFIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160429930 303883275 /nfs/dbraw/zinc/88/32/75/303883275.db2.gz CYRKUFSCSVKHLK-SQNIBIBYSA-N 1 0 335.492 2.604 20 70 EFIDRO CCCN(CC[NH+](C)C)C(=O)c1cc(NC(C)=O)ccc1Cl ZINC000159394500 310686629 /nfs/dbraw/zinc/68/66/29/310686629.db2.gz FHGYURASXDFJOX-UHFFFAOYSA-N 1 0 325.840 2.712 20 70 EFIDRO O=C1[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCN1CC(F)(F)F ZINC000159537291 310688213 /nfs/dbraw/zinc/68/82/13/310688213.db2.gz HEJADSCJNABSSK-KBPBESRZSA-N 1 0 330.325 2.956 20 70 EFIDRO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159668410 310689988 /nfs/dbraw/zinc/68/99/88/310689988.db2.gz RDFLRKDSQOVVOA-ZNMIVQPWSA-N 1 0 335.473 2.563 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccn1 ZINC000159684600 310690098 /nfs/dbraw/zinc/69/00/98/310690098.db2.gz WRGJHTNZYGFULH-MRXNPFEDSA-N 1 0 348.491 2.790 20 70 EFIDRO CCOCCC1(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000159783422 310691306 /nfs/dbraw/zinc/69/13/06/310691306.db2.gz ZEGPBVRSDMRWCI-MRXNPFEDSA-N 1 0 325.497 2.613 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000159901788 310692813 /nfs/dbraw/zinc/69/28/13/310692813.db2.gz WIIIJUHXHJMJFL-KBPBESRZSA-N 1 0 325.474 2.946 20 70 EFIDRO CN(CC[NH2+]C1CCN(CC(F)F)CC1)Cc1ccc(F)cc1 ZINC000160123622 310694902 /nfs/dbraw/zinc/69/49/02/310694902.db2.gz GPYZVJRNKKTHEP-UHFFFAOYSA-N 1 0 329.410 2.577 20 70 EFIDRO COC[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000160940897 310704223 /nfs/dbraw/zinc/70/42/23/310704223.db2.gz YMXPORFWDVIFQN-SFHVURJKSA-N 1 0 337.508 2.709 20 70 EFIDRO Cc1ccc(NC(=O)N(C)CC2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000161421889 310709053 /nfs/dbraw/zinc/70/90/53/310709053.db2.gz BNSGIIVWHMCQNR-UHFFFAOYSA-N 1 0 349.475 2.826 20 70 EFIDRO C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H]1c1ccccc1 ZINC000161092847 473206162 /nfs/dbraw/zinc/20/61/62/473206162.db2.gz OXOAAYQSAGADJY-YOEHRIQHSA-N 1 0 327.432 2.670 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000161097296 473206410 /nfs/dbraw/zinc/20/64/10/473206410.db2.gz ISLGSSADBHMXLN-UONOGXRCSA-N 1 0 337.261 2.867 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000161097411 473206475 /nfs/dbraw/zinc/20/64/75/473206475.db2.gz ISLGSSADBHMXLN-KBPBESRZSA-N 1 0 337.261 2.867 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000161103327 473207426 /nfs/dbraw/zinc/20/74/26/473207426.db2.gz DVRISQMOSVKOSK-GVDBMIGSSA-N 1 0 336.501 2.659 20 70 EFIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NO[C@@H]1CCCCO1 ZINC000161110699 473207538 /nfs/dbraw/zinc/20/75/38/473207538.db2.gz XFZIUHAACZLIIQ-DLBZAZTESA-N 1 0 333.432 2.581 20 70 EFIDRO CC[C@H]1CN(C(=O)c2c(F)cccc2Br)CC[C@H]1[NH3+] ZINC000161114723 473208081 /nfs/dbraw/zinc/20/80/81/473208081.db2.gz OOFASMXEXIAHAU-JOYOIKCWSA-N 1 0 329.213 2.788 20 70 EFIDRO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161115012 473208504 /nfs/dbraw/zinc/20/85/04/473208504.db2.gz GNOAWPHBLTUQML-FBBABVLZSA-N 1 0 344.499 2.669 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@H](C)[C@H]2C)c1 ZINC000161121785 473209257 /nfs/dbraw/zinc/20/92/57/473209257.db2.gz MCGFSOOHRRFNAD-HZPDHXFCSA-N 1 0 333.476 2.847 20 70 EFIDRO COc1cccc(O[C@H](C)CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000161129252 473210462 /nfs/dbraw/zinc/21/04/62/473210462.db2.gz LJXVPGMHANHMQN-VCBZYWHSSA-N 1 0 342.439 2.915 20 70 EFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(-n2cncn2)cc1 ZINC000161151503 473212401 /nfs/dbraw/zinc/21/24/01/473212401.db2.gz SIAKRHHKRLJJST-CQSZACIVSA-N 1 0 336.395 2.889 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)NCCNc1ccc2ccccc2n1 ZINC000161155281 473212850 /nfs/dbraw/zinc/21/28/50/473212850.db2.gz YMUOBCGLWNHPCP-UHFFFAOYSA-N 1 0 343.475 2.678 20 70 EFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000161159126 473213417 /nfs/dbraw/zinc/21/34/17/473213417.db2.gz MHBILGZOEHEWCI-UONOGXRCSA-N 1 0 338.883 2.916 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000161170114 473213821 /nfs/dbraw/zinc/21/38/21/473213821.db2.gz UPBRCVOJOLFOMR-KBPBESRZSA-N 1 0 332.375 2.997 20 70 EFIDRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000161170568 473214343 /nfs/dbraw/zinc/21/43/43/473214343.db2.gz JNMRRNHBROBDDO-QGZVFWFLSA-N 1 0 330.472 2.784 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000161170015 473214469 /nfs/dbraw/zinc/21/44/69/473214469.db2.gz UPBRCVOJOLFOMR-UONOGXRCSA-N 1 0 332.375 2.997 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000161257409 473220648 /nfs/dbraw/zinc/22/06/48/473220648.db2.gz OCMKQAOQHOKALA-AWEZNQCLSA-N 1 0 333.432 2.697 20 70 EFIDRO CC(=O)NC1CCC([NH2+][C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000161203776 473216878 /nfs/dbraw/zinc/21/68/78/473216878.db2.gz SSRXEFWHEQQZDN-MHJFOBGBSA-N 1 0 329.488 2.860 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 ZINC000161215177 473217760 /nfs/dbraw/zinc/21/77/60/473217760.db2.gz ZPQKGWJSSAJJLS-STQMWFEESA-N 1 0 349.381 2.939 20 70 EFIDRO CCOCCN(CC)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161221010 473218817 /nfs/dbraw/zinc/21/88/17/473218817.db2.gz KQPNCXKLQSRDOU-INIZCTEOSA-N 1 0 348.491 2.675 20 70 EFIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1OC ZINC000161221510 473219418 /nfs/dbraw/zinc/21/94/18/473219418.db2.gz CLSRBEFMWSUXCP-KBPBESRZSA-N 1 0 333.432 2.866 20 70 EFIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)C(CC)(CC)C[NH3+])ccc2NC1=O ZINC000161246909 473220308 /nfs/dbraw/zinc/22/03/08/473220308.db2.gz VCUMGAUXTBQCPQ-IUODEOHRSA-N 1 0 347.459 2.738 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000161255731 473220986 /nfs/dbraw/zinc/22/09/86/473220986.db2.gz ANZMZJHDRVUERI-LLVKDONJSA-N 1 0 334.395 2.818 20 70 EFIDRO CC[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)N1CCc2ccccc2C1 ZINC000161255505 473221003 /nfs/dbraw/zinc/22/10/03/473221003.db2.gz JTTJTNPLBIMAEW-XVAXZDLZSA-N 1 0 343.515 2.860 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(OC3CCCC3)nc2)CC1 ZINC000161310985 473225327 /nfs/dbraw/zinc/22/53/27/473225327.db2.gz WMGOHOSLWAEJMU-UHFFFAOYSA-N 1 0 331.460 2.940 20 70 EFIDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+]2CCCC2)cc1 ZINC000161314621 473225808 /nfs/dbraw/zinc/22/58/08/473225808.db2.gz LWWJKEJOLSMXJL-AZUAARDMSA-N 1 0 345.487 2.688 20 70 EFIDRO C[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000161349248 473228516 /nfs/dbraw/zinc/22/85/16/473228516.db2.gz LUTOSJDKLNHRPN-LLVKDONJSA-N 1 0 325.250 2.724 20 70 EFIDRO CCOc1cc(CNC(=O)[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000161355756 473229048 /nfs/dbraw/zinc/22/90/48/473229048.db2.gz PEPQGBTZDKRISJ-QGZVFWFLSA-N 1 0 342.386 2.693 20 70 EFIDRO Cc1nccn1C[C@H](C)CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161407509 473233811 /nfs/dbraw/zinc/23/38/11/473233811.db2.gz HVUGQNAYKQCYIY-MRXNPFEDSA-N 1 0 349.523 2.591 20 70 EFIDRO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000161372311 473230606 /nfs/dbraw/zinc/23/06/06/473230606.db2.gz SLJXGTALROEWFL-DJJJIMSYSA-N 1 0 329.444 2.602 20 70 EFIDRO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1N ZINC000161382549 473231115 /nfs/dbraw/zinc/23/11/15/473231115.db2.gz ZJPPWPZHCQBOJI-KRWDZBQOSA-N 1 0 325.412 2.881 20 70 EFIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000161394250 473231972 /nfs/dbraw/zinc/23/19/72/473231972.db2.gz ULJHOCSJTKODDK-LBPRGKRZSA-N 1 0 336.848 2.863 20 70 EFIDRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161398369 473232583 /nfs/dbraw/zinc/23/25/83/473232583.db2.gz ULSFFBQKYXMDPD-INIZCTEOSA-N 1 0 325.497 2.804 20 70 EFIDRO COc1ccc(COCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161417946 473234487 /nfs/dbraw/zinc/23/44/87/473234487.db2.gz RQKSEWJAFPJCGO-UHFFFAOYSA-N 1 0 335.444 2.877 20 70 EFIDRO COc1cccc([C@H](CNC(=O)[C@@H]2CCCCO2)[NH+]2CCCC2)c1 ZINC000161418312 473234734 /nfs/dbraw/zinc/23/47/34/473234734.db2.gz DJZFNKKWHBWCBL-ROUUACIJSA-N 1 0 332.444 2.517 20 70 EFIDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000161436715 473235530 /nfs/dbraw/zinc/23/55/30/473235530.db2.gz HEOVVBKRDIGMGQ-GOSISDBHSA-N 1 0 332.488 2.984 20 70 EFIDRO C[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)[NH+]1CCC(C)CC1 ZINC000161448537 473236117 /nfs/dbraw/zinc/23/61/17/473236117.db2.gz COSKEIHDBATKTJ-ZDUSSCGKSA-N 1 0 346.443 2.505 20 70 EFIDRO Cc1ncc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c(C)n1 ZINC000161460347 473237077 /nfs/dbraw/zinc/23/70/77/473237077.db2.gz NMBRVZXPRXSQEA-AWEZNQCLSA-N 1 0 326.444 2.781 20 70 EFIDRO COc1ccc(OCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161488245 473238712 /nfs/dbraw/zinc/23/87/12/473238712.db2.gz VWFJHPRCWAKEQN-HNNXBMFYSA-N 1 0 333.350 2.709 20 70 EFIDRO CCc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cnn1CC(C)C ZINC000161480294 473239099 /nfs/dbraw/zinc/23/90/99/473239099.db2.gz MUHPCCNJFHZWHO-MRXNPFEDSA-N 1 0 334.508 2.952 20 70 EFIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000161496141 473239470 /nfs/dbraw/zinc/23/94/70/473239470.db2.gz XKDAXJSUJASQFC-XIKOKIGWSA-N 1 0 344.411 2.987 20 70 EFIDRO COC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000161496270 473239685 /nfs/dbraw/zinc/23/96/85/473239685.db2.gz MUBOSWDPKLEJGK-HNNXBMFYSA-N 1 0 347.459 2.509 20 70 EFIDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161502101 473240073 /nfs/dbraw/zinc/24/00/73/473240073.db2.gz QYUYARZOJUIPBC-SFHVURJKSA-N 1 0 335.444 2.783 20 70 EFIDRO CCc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(F)cc1 ZINC000161503157 473240879 /nfs/dbraw/zinc/24/08/79/473240879.db2.gz LOWUVBXCJKMGQQ-KBPBESRZSA-N 1 0 330.407 2.574 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc2[nH]cnc2c1 ZINC000159369118 473021828 /nfs/dbraw/zinc/02/18/28/473021828.db2.gz QLROMQWFAWYJAD-LIRRHRJNSA-N 1 0 334.423 2.813 20 70 EFIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000159461900 473029308 /nfs/dbraw/zinc/02/93/08/473029308.db2.gz WRGYQMKDGWAYGG-MRXNPFEDSA-N 1 0 346.862 2.904 20 70 EFIDRO CCC(=O)N1CCCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000159467262 473030307 /nfs/dbraw/zinc/03/03/07/473030307.db2.gz ZBHWAYVNPOSISH-UHFFFAOYSA-N 1 0 331.391 2.925 20 70 EFIDRO C[C@@H](CC(=O)Nc1cnn(-c2ccccc2F)c1)[C@@H]1CCC[NH2+]C1 ZINC000159483213 473030813 /nfs/dbraw/zinc/03/08/13/473030813.db2.gz GDFWTLOCUAKVAI-UONOGXRCSA-N 1 0 330.407 2.976 20 70 EFIDRO Cc1cc(NC(=O)[C@H]([NH3+])c2ccccc2)ccc1C(=O)NC(C)C ZINC000159496759 473033115 /nfs/dbraw/zinc/03/31/15/473033115.db2.gz GFVVDBZJNMEZPI-QGZVFWFLSA-N 1 0 325.412 2.772 20 70 EFIDRO Cn1c(Sc2nc(C(C)(C)C)ns2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000159538592 473036954 /nfs/dbraw/zinc/03/69/54/473036954.db2.gz CPACCKJLFSVKAT-SECBINFHSA-N 1 0 338.506 2.582 20 70 EFIDRO CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000159561877 473038210 /nfs/dbraw/zinc/03/82/10/473038210.db2.gz PLNHZMQZMRRMPC-BXUZGUMPSA-N 1 0 330.350 2.603 20 70 EFIDRO Cc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)sc1Br ZINC000159594735 473043016 /nfs/dbraw/zinc/04/30/16/473043016.db2.gz GUXTXRRMIFNVOW-VHSXEESVSA-N 1 0 331.279 2.905 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000159633475 473046412 /nfs/dbraw/zinc/04/64/12/473046412.db2.gz WMFDJLVVGFGQTG-LJQANCHMSA-N 1 0 345.487 2.645 20 70 EFIDRO C[NH+](C)[C@H](CNC(=O)C[C@@H]1CSCCS1)c1ccc(F)cc1 ZINC000159658534 473048318 /nfs/dbraw/zinc/04/83/18/473048318.db2.gz HVFXAYHQNRYPIF-HUUCEWRRSA-N 1 0 342.505 2.783 20 70 EFIDRO O=C(CCCc1nc(C2CC2)no1)NCC[NH2+]C1CCCCCC1 ZINC000159658912 473048604 /nfs/dbraw/zinc/04/86/04/473048604.db2.gz CTZIHIWWXVQSOM-UHFFFAOYSA-N 1 0 334.464 2.698 20 70 EFIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000159663527 473049801 /nfs/dbraw/zinc/04/98/01/473049801.db2.gz VGVHTFXUNAOGKH-CVEARBPZSA-N 1 0 333.480 2.877 20 70 EFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000159684471 473050513 /nfs/dbraw/zinc/05/05/13/473050513.db2.gz COKILFUWYVAOJS-UONOGXRCSA-N 1 0 336.480 2.816 20 70 EFIDRO COc1cc(C)cc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000159683608 473051151 /nfs/dbraw/zinc/05/11/51/473051151.db2.gz INKVAYHPWKVZJA-INIZCTEOSA-N 1 0 333.476 2.925 20 70 EFIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@]1(C)CCCO1 ZINC000159700595 473051912 /nfs/dbraw/zinc/05/19/12/473051912.db2.gz CSUKGINSRFVUNW-IBGZPJMESA-N 1 0 333.476 2.765 20 70 EFIDRO COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)[C@H](C)[NH3+])CCC3)cc1 ZINC000159699007 473052487 /nfs/dbraw/zinc/05/24/87/473052487.db2.gz VLGPFQQVUKIWLF-GWCFXTLKSA-N 1 0 331.441 2.660 20 70 EFIDRO CCc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cnn1CC(C)C ZINC000159727092 473055312 /nfs/dbraw/zinc/05/53/12/473055312.db2.gz FPFJAFXHFASCEX-MAUKXSAKSA-N 1 0 332.492 2.658 20 70 EFIDRO COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159722634 473055666 /nfs/dbraw/zinc/05/56/66/473055666.db2.gz JXUJSOWMDLXTPE-HKUYNNGSSA-N 1 0 346.471 2.593 20 70 EFIDRO O=S(=O)(c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)o1)N1CCCC1 ZINC000159737491 473056760 /nfs/dbraw/zinc/05/67/60/473056760.db2.gz HOKRQYXEHBATPM-HOCLYGCPSA-N 1 0 338.473 2.829 20 70 EFIDRO Cc1ncc(CN2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)s1 ZINC000159743710 473057002 /nfs/dbraw/zinc/05/70/02/473057002.db2.gz YJXDKKWDJKLHNM-LBPRGKRZSA-N 1 0 335.498 2.961 20 70 EFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000159768789 473059185 /nfs/dbraw/zinc/05/91/85/473059185.db2.gz HXLCCXUWKLQRKM-UHFFFAOYSA-N 1 0 344.415 2.853 20 70 EFIDRO CC(C)[N@H+](Cc1cnc(N2CCN(C)CC2)nc1)C1CCCCC1 ZINC000159770164 473059268 /nfs/dbraw/zinc/05/92/68/473059268.db2.gz CGCVBEZSHRPRNO-UHFFFAOYSA-N 1 0 331.508 2.772 20 70 EFIDRO CC(C)[C@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000159781398 473060517 /nfs/dbraw/zinc/06/05/17/473060517.db2.gz NLHNPXLTZQSXDY-FQEVSTJZSA-N 1 0 345.531 2.645 20 70 EFIDRO O=C(c1ncoc1-c1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159798168 473062184 /nfs/dbraw/zinc/06/21/84/473062184.db2.gz YLMBHBVVMYSSNC-UHFFFAOYSA-N 1 0 325.412 2.946 20 70 EFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCC(C)CC1 ZINC000159847301 473066068 /nfs/dbraw/zinc/06/60/68/473066068.db2.gz KDSWYKSKKFULRK-HOTGVXAUSA-N 1 0 341.459 2.565 20 70 EFIDRO COc1cccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C)C2)[NH+](C)C)c1 ZINC000159862864 473067614 /nfs/dbraw/zinc/06/76/14/473067614.db2.gz UBKCJHQCBUSBGZ-MPGHIAIKSA-N 1 0 333.476 2.985 20 70 EFIDRO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000159878209 473068923 /nfs/dbraw/zinc/06/89/23/473068923.db2.gz GYWCNXPUSVFINP-UHFFFAOYSA-N 1 0 344.459 2.532 20 70 EFIDRO CCOC(=O)c1ccc(N2CCC[N@H+](CCCOC(C)C)CC2)nc1 ZINC000159923505 473073149 /nfs/dbraw/zinc/07/31/49/473073149.db2.gz VCLMBZSNTPGLFC-UHFFFAOYSA-N 1 0 349.475 2.586 20 70 EFIDRO O=C(NCCn1cccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159940932 473073936 /nfs/dbraw/zinc/07/39/36/473073936.db2.gz XBFKFKGHVGDKOF-UHFFFAOYSA-N 1 0 332.492 2.786 20 70 EFIDRO CCCC[N@H+](C)CCNC(=O)c1ccccc1CSc1nc[nH]n1 ZINC000159949775 473075019 /nfs/dbraw/zinc/07/50/19/473075019.db2.gz UAOQVODENUKBSU-UHFFFAOYSA-N 1 0 347.488 2.559 20 70 EFIDRO CCC[C@H]([NH3+])C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000159998336 473080190 /nfs/dbraw/zinc/08/01/90/473080190.db2.gz IVIJLEMSWKTDRC-ZDUSSCGKSA-N 1 0 326.322 2.957 20 70 EFIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cn1 ZINC000160105772 473088622 /nfs/dbraw/zinc/08/86/22/473088622.db2.gz GSLAQQJXUNOPFF-AWEZNQCLSA-N 1 0 338.415 2.695 20 70 EFIDRO Cc1cccc(CS(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000160129758 473089477 /nfs/dbraw/zinc/08/94/77/473089477.db2.gz VHMASUKPTDTVPC-SFHVURJKSA-N 1 0 336.501 2.775 20 70 EFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000160139867 473091496 /nfs/dbraw/zinc/09/14/96/473091496.db2.gz JGPRPOAZOHRWOJ-QGZVFWFLSA-N 1 0 336.501 2.942 20 70 EFIDRO CCC[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(=O)N1CCc2sccc2C1 ZINC000160163406 473093016 /nfs/dbraw/zinc/09/30/16/473093016.db2.gz OYPLJIRXUULQBD-FVQBIDKESA-N 1 0 336.501 2.816 20 70 EFIDRO CC[N@H+](CCNC(=O)c1ccccc1CSc1nc[nH]n1)C(C)C ZINC000160175343 473093472 /nfs/dbraw/zinc/09/34/72/473093472.db2.gz DDIQLGSALHANGP-UHFFFAOYSA-N 1 0 347.488 2.557 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NCc2ccc(C)s2)CC[N@@H+]1CCOC ZINC000160172922 473093829 /nfs/dbraw/zinc/09/38/29/473093829.db2.gz CCXYSQRGUDRZRH-OAHLLOKOSA-N 1 0 339.505 2.699 20 70 EFIDRO COCc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000160202604 473096620 /nfs/dbraw/zinc/09/66/20/473096620.db2.gz IGYJDEYFHXHPJZ-UHFFFAOYSA-N 1 0 333.476 2.849 20 70 EFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000160225985 473097791 /nfs/dbraw/zinc/09/77/91/473097791.db2.gz XDUPRGFDLWSIRF-ZBFHGGJFSA-N 1 0 349.500 2.764 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000160255676 473102066 /nfs/dbraw/zinc/10/20/66/473102066.db2.gz HVLIKEPNAMINDP-QGZVFWFLSA-N 1 0 325.497 2.709 20 70 EFIDRO C[C@@H]1CC(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H](C)O1 ZINC000160341502 473109851 /nfs/dbraw/zinc/10/98/51/473109851.db2.gz WPCMBCVWLVBWSM-CHWSQXEVSA-N 1 0 337.439 2.643 20 70 EFIDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160382513 473113977 /nfs/dbraw/zinc/11/39/77/473113977.db2.gz NAYFGZSVYBQAMO-OAHLLOKOSA-N 1 0 328.460 2.709 20 70 EFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160384857 473115816 /nfs/dbraw/zinc/11/58/16/473115816.db2.gz NEMZDOCAKNVRBB-HKUYNNGSSA-N 1 0 326.415 2.787 20 70 EFIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc2c(s1)CCCC2 ZINC000160387232 473115974 /nfs/dbraw/zinc/11/59/74/473115974.db2.gz PEWWRFIAUULLJL-AWEZNQCLSA-N 1 0 349.544 2.830 20 70 EFIDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000160397951 473116888 /nfs/dbraw/zinc/11/68/88/473116888.db2.gz FYFVHOPPEOYRDX-OAHLLOKOSA-N 1 0 345.418 2.808 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2[nH]ccc2c1 ZINC000160393527 473117291 /nfs/dbraw/zinc/11/72/91/473117291.db2.gz WZKUGPZCVAPAJR-RTBURBONSA-N 1 0 341.455 2.666 20 70 EFIDRO C[C@@H](CC1CC1)[NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000160397437 473117424 /nfs/dbraw/zinc/11/74/24/473117424.db2.gz BTKGFWHLRAYZBJ-HNNXBMFYSA-N 1 0 333.451 2.643 20 70 EFIDRO CC/C(=C/C(=O)NCCCN1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000160444105 473125618 /nfs/dbraw/zinc/12/56/18/473125618.db2.gz XLRNCMHOXOBJMQ-ZPHPHTNESA-N 1 0 343.515 2.932 20 70 EFIDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160437819 473125819 /nfs/dbraw/zinc/12/58/19/473125819.db2.gz KUKLKUJQDSKVEQ-GOSISDBHSA-N 1 0 347.459 2.708 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1 ZINC000160438346 473126149 /nfs/dbraw/zinc/12/61/49/473126149.db2.gz DAPZMUIFBYNPLE-KRWDZBQOSA-N 1 0 333.476 2.524 20 70 EFIDRO CC(C)c1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000160473214 473129875 /nfs/dbraw/zinc/12/98/75/473129875.db2.gz KEYKSTWENQXXRJ-GJZGRUSLSA-N 1 0 333.476 2.823 20 70 EFIDRO CC(C)c1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000160473091 473129895 /nfs/dbraw/zinc/12/98/95/473129895.db2.gz KEYKSTWENQXXRJ-GASCZTMLSA-N 1 0 333.476 2.823 20 70 EFIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cncc(F)c1 ZINC000160486076 473130890 /nfs/dbraw/zinc/13/08/90/473130890.db2.gz PFPBDQNAORBRER-HNNXBMFYSA-N 1 0 329.419 2.904 20 70 EFIDRO CC[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000160481275 473131857 /nfs/dbraw/zinc/13/18/57/473131857.db2.gz OBKCBMWTNGAEAO-PKOBYXMFSA-N 1 0 332.488 2.842 20 70 EFIDRO CC[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000160481415 473131891 /nfs/dbraw/zinc/13/18/91/473131891.db2.gz OBKCBMWTNGAEAO-IEBWSBKVSA-N 1 0 332.488 2.842 20 70 EFIDRO COCCOc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160487277 473133089 /nfs/dbraw/zinc/13/30/89/473133089.db2.gz SPGDSKDCLWILNZ-QGZVFWFLSA-N 1 0 334.460 2.562 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000160516328 473136533 /nfs/dbraw/zinc/13/65/33/473136533.db2.gz CTLIPBQXIAFKJI-LLVKDONJSA-N 1 0 343.265 2.850 20 70 EFIDRO CCOC(=O)C[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000160521554 473137143 /nfs/dbraw/zinc/13/71/43/473137143.db2.gz ZIQXXUBXSMBYOL-HNNXBMFYSA-N 1 0 334.460 2.988 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000160530771 473138454 /nfs/dbraw/zinc/13/84/54/473138454.db2.gz IQIAMEYIIIUKOD-UHFFFAOYSA-N 1 0 341.455 2.593 20 70 EFIDRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160551024 473141028 /nfs/dbraw/zinc/14/10/28/473141028.db2.gz NTOBGZUMCGSYBH-QWFCFKBJSA-N 1 0 333.472 2.670 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 ZINC000160562698 473143821 /nfs/dbraw/zinc/14/38/21/473143821.db2.gz PJKAULRWJOZLRU-ZDUSSCGKSA-N 1 0 340.851 2.817 20 70 EFIDRO Cc1noc(Cl)c1CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000160570079 473144010 /nfs/dbraw/zinc/14/40/10/473144010.db2.gz SFPLAPHXJIKHRN-UHFFFAOYSA-N 1 0 337.807 2.758 20 70 EFIDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)O ZINC000160588796 473147804 /nfs/dbraw/zinc/14/78/04/473147804.db2.gz STYMCNJDYBOTNN-SNVBAGLBSA-N 1 0 329.238 2.527 20 70 EFIDRO C[C@H]1CCCN(C(=O)C2CCN(CCC[NH+]3CCCCC3)CC2)C1 ZINC000160596789 473149569 /nfs/dbraw/zinc/14/95/69/473149569.db2.gz XVCGLOJYOSJDRJ-SFHVURJKSA-N 1 0 335.536 2.833 20 70 EFIDRO COc1ccc([C@H]([NH2+]CCCS(=O)(=O)C(C)C)C2CC2)cc1 ZINC000160607378 473151194 /nfs/dbraw/zinc/15/11/94/473151194.db2.gz UVYKBEQBJZELIJ-QGZVFWFLSA-N 1 0 325.474 2.949 20 70 EFIDRO CNC(=O)c1cc(C)ccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000160617475 473152161 /nfs/dbraw/zinc/15/21/61/473152161.db2.gz FPJOWCZVPGZWAA-CXAGYDPISA-N 1 0 325.412 2.629 20 70 EFIDRO O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CCCC[C@H]1O)CC2 ZINC000160617357 473152654 /nfs/dbraw/zinc/15/26/54/473152654.db2.gz SIJKLBCSQOUODN-ZALKRGLMSA-N 1 0 328.456 2.960 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000160633391 473153567 /nfs/dbraw/zinc/15/35/67/473153567.db2.gz RBFJYMIWLLMGMD-UHFFFAOYSA-N 1 0 338.883 2.998 20 70 EFIDRO O=C(Nc1cnn(Cc2ccccc2)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160635463 473155277 /nfs/dbraw/zinc/15/52/77/473155277.db2.gz MRCRJMXRVWTWSQ-QGZVFWFLSA-N 1 0 339.443 2.537 20 70 EFIDRO CN(Cc1cccn1C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160703713 473163039 /nfs/dbraw/zinc/16/30/39/473163039.db2.gz VXIKBWITDBGKQR-SFHVURJKSA-N 1 0 340.471 2.831 20 70 EFIDRO CN(Cc1cccn1C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160703844 473163716 /nfs/dbraw/zinc/16/37/16/473163716.db2.gz VXIKBWITDBGKQR-GOSISDBHSA-N 1 0 340.471 2.831 20 70 EFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1sccc1-c1ccccc1 ZINC000160714937 473166091 /nfs/dbraw/zinc/16/60/91/473166091.db2.gz FLGYRLZPKUNLMA-UHFFFAOYSA-N 1 0 344.480 2.849 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000160729007 473167223 /nfs/dbraw/zinc/16/72/23/473167223.db2.gz ANQDUVVIOXUXJK-GWCFXTLKSA-N 1 0 341.249 2.800 20 70 EFIDRO CCC1(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCCC1 ZINC000160747571 473170127 /nfs/dbraw/zinc/17/01/27/473170127.db2.gz RJKXKHGIVVFSHI-MSOLQXFVSA-N 1 0 330.472 2.708 20 70 EFIDRO CCCC[N@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160755501 473170763 /nfs/dbraw/zinc/17/07/63/473170763.db2.gz VXLKCEGUUQQOLM-SFHVURJKSA-N 1 0 347.484 2.662 20 70 EFIDRO CCc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1 ZINC000160788038 473174571 /nfs/dbraw/zinc/17/45/71/473174571.db2.gz HBQNSCYNGHAWNC-UHFFFAOYSA-N 1 0 338.455 2.577 20 70 EFIDRO COc1ccc2c(c1)CCN2C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160784969 473174688 /nfs/dbraw/zinc/17/46/88/473174688.db2.gz KVZKRYSKPRYBIF-HNNXBMFYSA-N 1 0 329.444 2.784 20 70 EFIDRO CN(C)c1ncc(CN(C)Cc2ccc(Br)cc2)cn1 ZINC000160801929 473176117 /nfs/dbraw/zinc/17/61/17/473176117.db2.gz AMZFQIQRTMJCLD-UHFFFAOYSA-N 1 0 335.249 2.937 20 70 EFIDRO COc1ccc(SCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000160807055 473177448 /nfs/dbraw/zinc/17/74/48/473177448.db2.gz SEKAOQSLMCOJMN-CHWSQXEVSA-N 1 0 338.473 2.572 20 70 EFIDRO COc1ccc(SCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000160806924 473177715 /nfs/dbraw/zinc/17/77/15/473177715.db2.gz SEKAOQSLMCOJMN-STQMWFEESA-N 1 0 338.473 2.572 20 70 EFIDRO CC(C)(C)O[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160816532 473178521 /nfs/dbraw/zinc/17/85/21/473178521.db2.gz PSXKGYVCSDUTBO-QZTJIDSGSA-N 1 0 348.487 2.506 20 70 EFIDRO COCCc1nsc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000160843211 473181772 /nfs/dbraw/zinc/18/17/72/473181772.db2.gz JNVDYRSANSANFY-ZFWWWQNUSA-N 1 0 332.473 2.802 20 70 EFIDRO CCCC1(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000160848131 473181871 /nfs/dbraw/zinc/18/18/71/473181871.db2.gz SUTWBGMXGVTYFN-UHFFFAOYSA-N 1 0 329.488 2.744 20 70 EFIDRO Cc1c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1CC(C)C ZINC000160858319 473183402 /nfs/dbraw/zinc/18/34/02/473183402.db2.gz WDJSEWLKPGATQN-HRCADAONSA-N 1 0 334.508 2.944 20 70 EFIDRO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000160868636 473185747 /nfs/dbraw/zinc/18/57/47/473185747.db2.gz AMJLSPLNPCPLFG-DLBZAZTESA-N 1 0 335.492 2.602 20 70 EFIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000160868897 473186059 /nfs/dbraw/zinc/18/60/59/473186059.db2.gz AMJLSPLNPCPLFG-IAGOWNOFSA-N 1 0 335.492 2.602 20 70 EFIDRO COC(=O)c1csc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000160879217 473187414 /nfs/dbraw/zinc/18/74/14/473187414.db2.gz UACJKJAOQNKYNJ-CYBMUJFWSA-N 1 0 339.461 2.873 20 70 EFIDRO CC(C)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000160898961 473188245 /nfs/dbraw/zinc/18/82/45/473188245.db2.gz HTBMYASVILMOGE-CQSZACIVSA-N 1 0 349.500 2.536 20 70 EFIDRO Cc1nc(Cl)ccc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000160907969 473189261 /nfs/dbraw/zinc/18/92/61/473189261.db2.gz GVNSOOXQKPBZKM-UHFFFAOYSA-N 1 0 339.867 2.616 20 70 EFIDRO Cc1ccc(C(=O)CC[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000160916917 473190515 /nfs/dbraw/zinc/19/05/15/473190515.db2.gz HVKAYJNZUAZSLV-IBGZPJMESA-N 1 0 341.455 2.747 20 70 EFIDRO COC(C[N@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C)OC ZINC000160927185 473191806 /nfs/dbraw/zinc/19/18/06/473191806.db2.gz IGQCRZXODVBGDE-KRWDZBQOSA-N 1 0 347.455 2.909 20 70 EFIDRO CCc1ccc(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000160939182 473192224 /nfs/dbraw/zinc/19/22/24/473192224.db2.gz AVDPNHPZQXPTNG-UHFFFAOYSA-N 1 0 337.467 2.967 20 70 EFIDRO C[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000160958980 473194481 /nfs/dbraw/zinc/19/44/81/473194481.db2.gz BQBNXMONPIVCHC-CYBMUJFWSA-N 1 0 346.443 2.506 20 70 EFIDRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCCc2sccc21 ZINC000160956642 473194563 /nfs/dbraw/zinc/19/45/63/473194563.db2.gz VLYXNASUGZVQMT-MRXNPFEDSA-N 1 0 346.500 2.794 20 70 EFIDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)C(C)(C)O1 ZINC000160953260 473194630 /nfs/dbraw/zinc/19/46/30/473194630.db2.gz NMIDSOKYKINUMV-HNNXBMFYSA-N 1 0 325.474 2.667 20 70 EFIDRO CC(C)COc1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000160988092 473196669 /nfs/dbraw/zinc/19/66/69/473196669.db2.gz ODNMAQSDOAVHDZ-IBGZPJMESA-N 1 0 346.471 2.545 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(F)cc(F)c2)cc1 ZINC000160989545 473197142 /nfs/dbraw/zinc/19/71/42/473197142.db2.gz OSDHMZHNMBFQOL-GFCCVEGCSA-N 1 0 334.366 2.940 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000160996957 473197830 /nfs/dbraw/zinc/19/78/30/473197830.db2.gz ONMNLKAIAQHFCM-LSDHHAIUSA-N 1 0 347.459 2.802 20 70 EFIDRO CCCCOCCN(C(=O)[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000161014472 473198882 /nfs/dbraw/zinc/19/88/82/473198882.db2.gz HGQRYTWZUJSWQL-LBPRGKRZSA-N 1 0 343.265 2.946 20 70 EFIDRO CCNc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cs1 ZINC000161042084 473201756 /nfs/dbraw/zinc/20/17/56/473201756.db2.gz SZTSFZXLDKQYQZ-UHFFFAOYSA-N 1 0 336.461 2.680 20 70 EFIDRO [NH3+]C1(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)CCCCC1 ZINC000161041387 473201786 /nfs/dbraw/zinc/20/17/86/473201786.db2.gz YCTSZSJVRBMYIT-SJORKVTESA-N 1 0 332.444 2.969 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000161041588 473201805 /nfs/dbraw/zinc/20/18/05/473201805.db2.gz DMJADVFOQVCODH-CQSZACIVSA-N 1 0 347.440 2.959 20 70 EFIDRO CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161055547 473202534 /nfs/dbraw/zinc/20/25/34/473202534.db2.gz BXBYSEWANYAKOV-GJZGRUSLSA-N 1 0 342.443 2.661 20 70 EFIDRO CCc1nnc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000161053304 473202841 /nfs/dbraw/zinc/20/28/41/473202841.db2.gz GMFVIXWCCYKAKM-JSGCOSHPSA-N 1 0 345.472 2.743 20 70 EFIDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NOCc1cccnc1 ZINC000161063925 473203286 /nfs/dbraw/zinc/20/32/86/473203286.db2.gz DKXFCAXEPQGSTA-UHFFFAOYSA-N 1 0 340.427 2.608 20 70 EFIDRO C[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000160296504 534000862 /nfs/dbraw/zinc/00/08/62/534000862.db2.gz KBIFHGDEVUKBMJ-RYUDHWBXSA-N 1 0 347.385 2.687 20 70 EFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCSC2)c(OC)c1 ZINC000159534291 534087776 /nfs/dbraw/zinc/08/77/76/534087776.db2.gz SJLHLBQYVJVBPE-CHWSQXEVSA-N 1 0 338.473 2.906 20 70 EFIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000159768239 534109929 /nfs/dbraw/zinc/10/99/29/534109929.db2.gz VUXSYNKVEUIENG-MJGOQNOKSA-N 1 0 330.472 2.579 20 70 EFIDRO COc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1OCC(F)(F)F ZINC000161357029 534154769 /nfs/dbraw/zinc/15/47/69/534154769.db2.gz CJHQMIOFCFKMAS-HNNXBMFYSA-N 1 0 346.349 2.965 20 70 EFIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000159571473 534165961 /nfs/dbraw/zinc/16/59/61/534165961.db2.gz ZGSNTNDRPXHPEV-KBXCAEBGSA-N 1 0 334.435 2.721 20 70 EFIDRO Cc1nc(CN2CC[NH+](CCCCn3ccnc3C)CC2)cs1 ZINC000159718906 534359400 /nfs/dbraw/zinc/35/94/00/534359400.db2.gz FUVOVBMOBQJTSL-UHFFFAOYSA-N 1 0 333.505 2.554 20 70 EFIDRO Cc1ccsc1CCCC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160270700 534460693 /nfs/dbraw/zinc/46/06/93/534460693.db2.gz KIYBUZVWYOSGFQ-HZPDHXFCSA-N 1 0 338.517 2.995 20 70 EFIDRO CC1(C)CC(NC(=O)[C@H]2COc3ccc(F)cc3C2)CC(C)(C)[NH2+]1 ZINC000159841853 520285696 /nfs/dbraw/zinc/28/56/96/520285696.db2.gz TYDBNKLRGVHJPA-CYBMUJFWSA-N 1 0 334.435 2.802 20 70 EFIDRO COc1cc(/C=C/C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1F ZINC000160770665 521926376 /nfs/dbraw/zinc/92/63/76/521926376.db2.gz UOPFOHGZGKZCOW-UTDDRVLSSA-N 1 0 332.419 2.790 20 70 EFIDRO C[N@H+](CCCOc1ccc2ccccc2c1)CCN1CCOCC1 ZINC000217162893 522781111 /nfs/dbraw/zinc/78/11/11/522781111.db2.gz AKYSNZPLKJSOHI-UHFFFAOYSA-N 1 0 328.456 2.873 20 70 EFIDRO Cc1cccc(C)c1OCCCNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000216915755 524312194 /nfs/dbraw/zinc/31/21/94/524312194.db2.gz YEVHZYAKYSNDCI-MRXNPFEDSA-N 1 0 333.476 2.854 20 70 EFIDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160197895 534813104 /nfs/dbraw/zinc/81/31/04/534813104.db2.gz DSPURKARJDKPRO-HXUWFJFHSA-N 1 0 345.487 2.516 20 70 EFIDRO CC(C)(C)c1nsc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000160151954 526907059 /nfs/dbraw/zinc/90/70/59/526907059.db2.gz JKQNXKLXPBOQCC-LSDHHAIUSA-N 1 0 346.500 2.883 20 70 EFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000160350346 527234426 /nfs/dbraw/zinc/23/44/26/527234426.db2.gz MXWFTWTZKNOGNV-MRXNPFEDSA-N 1 0 338.455 2.840 20 70 EFIDRO CC(C)([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159853070 527239461 /nfs/dbraw/zinc/23/94/61/527239461.db2.gz GNRBWXGBJUYYDB-UHFFFAOYSA-N 1 0 338.473 2.610 20 70 EFIDRO CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160361723 527646993 /nfs/dbraw/zinc/64/69/93/527646993.db2.gz OYJCNSQSXGZKAE-MRXNPFEDSA-N 1 0 331.460 2.554 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2-c2cccs2)C1 ZINC000159778842 528020893 /nfs/dbraw/zinc/02/08/93/528020893.db2.gz IEZNSJNHSACHCY-AWEZNQCLSA-N 1 0 346.500 2.856 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159930555 528024153 /nfs/dbraw/zinc/02/41/53/528024153.db2.gz XXMMJTACVYJYAL-OAHLLOKOSA-N 1 0 333.451 2.871 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000159469349 528109564 /nfs/dbraw/zinc/10/95/64/528109564.db2.gz ZXFRCDXMLKOYIX-QZTJIDSGSA-N 1 0 333.476 2.938 20 70 EFIDRO CC[NH+](CC)CCCNC(=O)NC[C@@](C)(O)c1ccccc1Cl ZINC000159468687 528109963 /nfs/dbraw/zinc/10/99/63/528109963.db2.gz PFIISLVYXKLJJD-QGZVFWFLSA-N 1 0 341.883 2.579 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000160909338 528110975 /nfs/dbraw/zinc/11/09/75/528110975.db2.gz ZBIVLOSNAHAWTR-HOTGVXAUSA-N 1 0 334.464 2.541 20 70 EFIDRO CC(C)c1ccc(OCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160238092 528120338 /nfs/dbraw/zinc/12/03/38/528120338.db2.gz LSMRORNGBQYYDP-GOSISDBHSA-N 1 0 348.487 2.542 20 70 EFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H](COC)C2CC2)cc1 ZINC000160248783 528153600 /nfs/dbraw/zinc/15/36/00/528153600.db2.gz DCYKWXZOQUYQAA-SFHVURJKSA-N 1 0 349.475 2.954 20 70 EFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)Nc2ccn(C)n2)cc1 ZINC000160128917 528154180 /nfs/dbraw/zinc/15/41/80/528154180.db2.gz GLQSGVYRDXVPGG-UHFFFAOYSA-N 1 0 331.420 2.785 20 70 EFIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@]1(C)CCOC1 ZINC000160283302 528154685 /nfs/dbraw/zinc/15/46/85/528154685.db2.gz USNBNEPFLYQMME-GOSISDBHSA-N 1 0 335.448 2.708 20 70 EFIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@]1(C)CCOC1 ZINC000160283432 528155552 /nfs/dbraw/zinc/15/55/52/528155552.db2.gz USNBNEPFLYQMME-SFHVURJKSA-N 1 0 335.448 2.708 20 70 EFIDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCCO1 ZINC000159695675 528168963 /nfs/dbraw/zinc/16/89/63/528168963.db2.gz JDAMROHIBCHHTL-KRWDZBQOSA-N 1 0 344.459 2.886 20 70 EFIDRO CCC[C@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C(=O)OCC ZINC000159896623 528213366 /nfs/dbraw/zinc/21/33/66/528213366.db2.gz ZZHVPLAMTQBUDO-QAPCUYQASA-N 1 0 333.476 2.928 20 70 EFIDRO CCC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)N1CCc2sccc2C1 ZINC000160174181 528234335 /nfs/dbraw/zinc/23/43/35/528234335.db2.gz YZFWRCFMQBVPRQ-BBRMVZONSA-N 1 0 346.500 2.886 20 70 EFIDRO CCC(=O)N[C@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000159707593 528412250 /nfs/dbraw/zinc/41/22/50/528412250.db2.gz PZCMODCUPADZEW-IBGZPJMESA-N 1 0 345.487 2.683 20 70 EFIDRO CCCc1cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)n2ncnc2n1 ZINC000161300172 528610514 /nfs/dbraw/zinc/61/05/14/528610514.db2.gz AWHQCLRZVSDIMP-OAHLLOKOSA-N 1 0 330.480 2.857 20 70 EFIDRO CCC(CC)(CNC(=O)N[C@@H](C)CCO)[NH2+][C@@H](C)c1ccccc1 ZINC000159881268 528677324 /nfs/dbraw/zinc/67/73/24/528677324.db2.gz JHLYJZORUXQLBG-HOTGVXAUSA-N 1 0 335.492 2.966 20 70 EFIDRO CCC(CC)[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160362296 528803291 /nfs/dbraw/zinc/80/32/91/528803291.db2.gz QWZAFSIUCHDHPA-KRWDZBQOSA-N 1 0 336.476 2.855 20 70 EFIDRO CCC(CC)[NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160362413 528804075 /nfs/dbraw/zinc/80/40/75/528804075.db2.gz QWZAFSIUCHDHPA-QGZVFWFLSA-N 1 0 336.476 2.855 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000159650608 528897051 /nfs/dbraw/zinc/89/70/51/528897051.db2.gz HDSBMTHLXLZPIQ-UHFFFAOYSA-N 1 0 347.488 2.687 20 70 EFIDRO CCOC[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160019765 528935070 /nfs/dbraw/zinc/93/50/70/528935070.db2.gz RIOBFKQMQFXIBJ-UHOSZYNNSA-N 1 0 345.487 2.717 20 70 EFIDRO CC[NH+]1CCC(NC(=O)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000159911204 528980049 /nfs/dbraw/zinc/98/00/49/528980049.db2.gz GSQJGIOMDKPKOK-UHFFFAOYSA-N 1 0 330.350 2.728 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCCO[C@H](C)c2ccccc2)CC1 ZINC000159559676 529025310 /nfs/dbraw/zinc/02/53/10/529025310.db2.gz QXRBZWAPCBBRCF-QGZVFWFLSA-N 1 0 333.476 2.892 20 70 EFIDRO CCOC[C@H]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160019625 529026736 /nfs/dbraw/zinc/02/67/36/529026736.db2.gz RIOBFKQMQFXIBJ-YTQUADARSA-N 1 0 345.487 2.717 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)COCc2ccccc2)CC1 ZINC000159739651 529026866 /nfs/dbraw/zinc/02/68/66/529026866.db2.gz LCAIGZYDAWXDLL-KRWDZBQOSA-N 1 0 333.476 2.577 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(C)ccc2OC(F)F)CC1 ZINC000159970004 529027290 /nfs/dbraw/zinc/02/72/90/529027290.db2.gz QIAWXGURXABLMZ-UHFFFAOYSA-N 1 0 341.402 2.834 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000159934540 529030689 /nfs/dbraw/zinc/03/06/89/529030689.db2.gz UKDFFGNSHPZZCC-MRXNPFEDSA-N 1 0 341.459 2.671 20 70 EFIDRO CC[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)Oc1cccc(F)c1 ZINC000159960456 529343307 /nfs/dbraw/zinc/34/33/07/529343307.db2.gz ALSNMGZQZGGEGS-MRXNPFEDSA-N 1 0 337.439 2.720 20 70 EFIDRO CC[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000159758204 529356055 /nfs/dbraw/zinc/35/60/55/529356055.db2.gz ZPIJEFAPXOOWGW-GXTWGEPZSA-N 1 0 339.277 2.744 20 70 EFIDRO CC[C@@H](C)OCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000159753685 529377914 /nfs/dbraw/zinc/37/79/14/529377914.db2.gz OYNXOQYXSUMSFM-OAHLLOKOSA-N 1 0 333.476 2.971 20 70 EFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(OC)c(OC)c1 ZINC000160416068 529661262 /nfs/dbraw/zinc/66/12/62/529661262.db2.gz IDRCEIJAJNDWHU-CABCVRRESA-N 1 0 330.432 2.659 20 70 EFIDRO CCc1ccc([C@H](C)CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000160109533 529719590 /nfs/dbraw/zinc/71/95/90/529719590.db2.gz PVUZYEPAUROKCP-ZWKOTPCHSA-N 1 0 345.531 2.742 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC000161261372 290695412 /nfs/dbraw/zinc/69/54/12/290695412.db2.gz JDCMSWQIXYNYLO-HNNXBMFYSA-N 1 0 346.475 2.739 20 70 EFIDRO C[N@H+](CCOc1ccc(F)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000160360987 529925679 /nfs/dbraw/zinc/92/56/79/529925679.db2.gz BCQJABFLUFZWFQ-AWEZNQCLSA-N 1 0 348.340 2.690 20 70 EFIDRO C[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCOC1 ZINC000160095783 529961273 /nfs/dbraw/zinc/96/12/73/529961273.db2.gz CJDUMQFVMQWNMZ-GDBMZVCRSA-N 1 0 331.378 2.967 20 70 EFIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000159733240 529980394 /nfs/dbraw/zinc/98/03/94/529980394.db2.gz GFBMVJCGQQKZSA-CYBMUJFWSA-N 1 0 345.468 2.814 20 70 EFIDRO Cn1ccc(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000159453479 529999252 /nfs/dbraw/zinc/99/92/52/529999252.db2.gz SRWZSRKPYCAEMQ-UHFFFAOYSA-N 1 0 328.460 2.735 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2OC)o1 ZINC000161278496 530003207 /nfs/dbraw/zinc/00/32/07/530003207.db2.gz XNXIPDBIUPGUEZ-CQSZACIVSA-N 1 0 344.411 2.691 20 70 EFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000159394601 239025840 /nfs/dbraw/zinc/02/58/40/239025840.db2.gz VRVBKIQBDWUWPK-INIZCTEOSA-N 1 0 333.476 2.896 20 70 EFIDRO Cc1cc(C)n(Cc2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2)n1 ZINC000159481850 239030398 /nfs/dbraw/zinc/03/03/98/239030398.db2.gz MAWDDRNVLOWBNH-UHFFFAOYSA-N 1 0 340.471 2.940 20 70 EFIDRO Cc1nc(-c2ccc(C(=O)NCC[NH2+]C3CCCCCC3)cc2)n[nH]1 ZINC000159696912 239031758 /nfs/dbraw/zinc/03/17/58/239031758.db2.gz WGAFFGSHDQXHFF-UHFFFAOYSA-N 1 0 341.459 2.822 20 70 EFIDRO COc1cc2c(cc1CNC(=O)N(CC[NH+](C)C)C(C)C)O[C@@H](C)C2 ZINC000159814229 239035158 /nfs/dbraw/zinc/03/51/58/239035158.db2.gz TXVLBDAJGJFGEZ-AWEZNQCLSA-N 1 0 349.475 2.500 20 70 EFIDRO CN(C)[C@@H](CNC(=O)c1cccc2[nH]cnc21)c1c(F)cccc1F ZINC000159557856 239029628 /nfs/dbraw/zinc/02/96/28/239029628.db2.gz GDBYUYOMFGJTHY-HNNXBMFYSA-N 1 0 344.365 2.874 20 70 EFIDRO O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC[NH2+]CC1 ZINC000159368376 284460258 /nfs/dbraw/zinc/46/02/58/284460258.db2.gz ZRZCGJJMCUFBHG-ZIAGYGMSSA-N 1 0 327.453 2.778 20 70 EFIDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCSC2)ccc1S(C)(=O)=O ZINC000159576701 533121173 /nfs/dbraw/zinc/12/11/73/533121173.db2.gz VQNVRANHONZKIQ-DGCLKSJQSA-N 1 0 329.487 2.645 20 70 EFIDRO COC[C@H]1CCCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000159920360 533131894 /nfs/dbraw/zinc/13/18/94/533131894.db2.gz VHNDULNFFBXBFM-NEWSRXKRSA-N 1 0 345.487 2.575 20 70 EFIDRO COCC1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000159956396 533170679 /nfs/dbraw/zinc/17/06/79/533170679.db2.gz QPRAQFYOFRFMTK-APWZRJJASA-N 1 0 345.487 2.575 20 70 EFIDRO COCCC1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CCC1 ZINC000159648832 533181815 /nfs/dbraw/zinc/18/18/15/533181815.db2.gz VLRPPLUXTNYUTN-KRWDZBQOSA-N 1 0 334.460 2.621 20 70 EFIDRO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccc(OC)cc2)c1C ZINC000159859965 533464069 /nfs/dbraw/zinc/46/40/69/533464069.db2.gz CRPVRIXQPCJKPA-UHFFFAOYSA-N 1 0 345.443 2.704 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000160118442 533604403 /nfs/dbraw/zinc/60/44/03/533604403.db2.gz RVWSYMDANCFUNO-GFCCVEGCSA-N 1 0 336.486 2.841 20 70 EFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000159426389 533650321 /nfs/dbraw/zinc/65/03/21/533650321.db2.gz FLVQGUFRTUVNRW-CVEARBPZSA-N 1 0 326.440 2.593 20 70 EFIDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000160166450 292086215 /nfs/dbraw/zinc/08/62/15/292086215.db2.gz MGRCCKJWZURMQW-QGZVFWFLSA-N 1 0 336.501 2.942 20 70 EFIDRO Cc1ccc(C2(C(=O)NCC3([NH3+])CCCCC3)CCOCC2)cc1 ZINC000159544362 292089577 /nfs/dbraw/zinc/08/95/77/292089577.db2.gz ITTWSXBCHSENMU-UHFFFAOYSA-N 1 0 330.472 2.821 20 70 EFIDRO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159957310 287121681 /nfs/dbraw/zinc/12/16/81/287121681.db2.gz WSJXONGYHYZLRR-UPJWGTAASA-N 1 0 342.361 2.826 20 70 EFIDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000159516071 225231719 /nfs/dbraw/zinc/23/17/19/225231719.db2.gz ZIUCBYNEMMIUIL-QWHCGFSZSA-N 1 0 338.473 2.906 20 70 EFIDRO O=C(c1cc(-c2cccs2)n[nH]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159735613 225269853 /nfs/dbraw/zinc/26/98/53/225269853.db2.gz XEUXBNNBKQRZLO-UHFFFAOYSA-N 1 0 330.457 2.742 20 70 EFIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159754565 225272597 /nfs/dbraw/zinc/27/25/97/225272597.db2.gz QCUDVWUFAUPUGY-UHFFFAOYSA-N 1 0 326.444 2.577 20 70 EFIDRO COC[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000159796488 225279641 /nfs/dbraw/zinc/27/96/41/225279641.db2.gz KIJPDOBAIDIAGB-PBHICJAKSA-N 1 0 333.476 2.840 20 70 EFIDRO NC(=O)CC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000159814745 225282941 /nfs/dbraw/zinc/28/29/41/225282941.db2.gz XEESQVKETDNRLA-UHFFFAOYSA-N 1 0 339.439 2.748 20 70 EFIDRO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCCO2)[NH+]2CCCCC2)cc1 ZINC000159881435 225295938 /nfs/dbraw/zinc/29/59/38/225295938.db2.gz CWFJZPSJBHNRJJ-MOPGFXCFSA-N 1 0 346.471 2.908 20 70 EFIDRO O=C(C[NH2+]C[C@H]1CCCO1)NC(c1cccs1)c1cccs1 ZINC000159923947 225302893 /nfs/dbraw/zinc/30/28/93/225302893.db2.gz WGOCAPSMUYPNKE-GFCCVEGCSA-N 1 0 336.482 2.784 20 70 EFIDRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159661320 225256511 /nfs/dbraw/zinc/25/65/11/225256511.db2.gz KBXNOFLPJMDEGP-BBRMVZONSA-N 1 0 329.444 2.673 20 70 EFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncnc2nc(N)ccc21 ZINC000160247819 225372396 /nfs/dbraw/zinc/37/23/96/225372396.db2.gz SFBMVIDUVGEBNT-BBRMVZONSA-N 1 0 334.427 2.539 20 70 EFIDRO CN(C(=O)c1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1)c1ccccc1 ZINC000160259900 225372764 /nfs/dbraw/zinc/37/27/64/225372764.db2.gz XLSYCMCKEPWOPI-GOSISDBHSA-N 1 0 337.423 2.527 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000160263158 225373055 /nfs/dbraw/zinc/37/30/55/225373055.db2.gz ADSLSZCVOFGZIG-IRXDYDNUSA-N 1 0 336.863 2.838 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000160263035 225373407 /nfs/dbraw/zinc/37/34/07/225373407.db2.gz ADSLSZCVOFGZIG-SJORKVTESA-N 1 0 336.863 2.838 20 70 EFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000160263414 225373651 /nfs/dbraw/zinc/37/36/51/225373651.db2.gz ADSLSZCVOFGZIG-DLBZAZTESA-N 1 0 336.863 2.838 20 70 EFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(C2CC2)n1 ZINC000160295169 225381788 /nfs/dbraw/zinc/38/17/88/225381788.db2.gz RLFVGXDNSMZBTR-CVEARBPZSA-N 1 0 349.500 2.518 20 70 EFIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160297943 225383367 /nfs/dbraw/zinc/38/33/67/225383367.db2.gz WULYVJDFYKQOQG-RBUKOAKNSA-N 1 0 345.487 2.717 20 70 EFIDRO C[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCC(C)CC1 ZINC000160373366 225398971 /nfs/dbraw/zinc/39/89/71/225398971.db2.gz KQFBXWYHHFLXPR-GFCCVEGCSA-N 1 0 347.385 2.687 20 70 EFIDRO O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160110151 225339892 /nfs/dbraw/zinc/33/98/92/225339892.db2.gz RONMCVXKLJXRMN-CYBMUJFWSA-N 1 0 344.427 2.604 20 70 EFIDRO O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160111827 225340237 /nfs/dbraw/zinc/34/02/37/225340237.db2.gz BNFBRKRPXCVOMH-AWEZNQCLSA-N 1 0 344.427 2.604 20 70 EFIDRO O=S(=O)(Cc1ccc(F)cc1)NCC[NH2+]C1CCCCCC1 ZINC000160147314 225347890 /nfs/dbraw/zinc/34/78/90/225347890.db2.gz VZLNWJTZASWLOM-UHFFFAOYSA-N 1 0 328.453 2.558 20 70 EFIDRO Cc1nc(COc2cccc(/C=C/C(=O)NCCC[NH3+])c2)cs1 ZINC000160164761 225351981 /nfs/dbraw/zinc/35/19/81/225351981.db2.gz SWOABBHNIYGEFL-VOTSOKGWSA-N 1 0 331.441 2.509 20 70 EFIDRO [NH3+]C1(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)CCCCC1 ZINC000160178398 225355789 /nfs/dbraw/zinc/35/57/89/225355789.db2.gz GACGZFWWVKXMPO-UHFFFAOYSA-N 1 0 348.834 2.710 20 70 EFIDRO [NH3+][C@@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 ZINC000160181793 225356501 /nfs/dbraw/zinc/35/65/01/225356501.db2.gz GFQCQDUURQEMRA-OAHLLOKOSA-N 1 0 334.423 2.518 20 70 EFIDRO O=C(/C=C/c1cccc(F)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160716664 225460416 /nfs/dbraw/zinc/46/04/16/225460416.db2.gz VUYQJEUOMNHUCT-TYFAACHXSA-N 1 0 346.446 2.723 20 70 EFIDRO C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)[C@H]1CN(C)CCO1 ZINC000160116975 544802745 /nfs/dbraw/zinc/80/27/45/544802745.db2.gz OMTFPKNKTLGTSC-BXUZGUMPSA-N 1 0 345.365 2.632 20 70 EFIDRO COC[C@@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000160169905 544803204 /nfs/dbraw/zinc/80/32/04/544803204.db2.gz MQAAXYMTQHPEBG-QGZVFWFLSA-N 1 0 335.448 2.564 20 70 EFIDRO Cc1nn(C)c2sc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)cc12 ZINC000160391419 544804828 /nfs/dbraw/zinc/80/48/28/544804828.db2.gz IJDJEIIQXQLUEN-CYBMUJFWSA-N 1 0 334.489 2.793 20 70 EFIDRO CSc1ccc(NC(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1Cl ZINC000160348106 544805273 /nfs/dbraw/zinc/80/52/73/544805273.db2.gz QTGRVQUEKKEQTN-ZWNOBZJWSA-N 1 0 343.880 2.903 20 70 EFIDRO O=C(NCCC[NH+]1CCCCCC1)c1csc([C@@H]2CCCO2)n1 ZINC000160378214 544805829 /nfs/dbraw/zinc/80/58/29/544805829.db2.gz DBBLGXMRUGJEBH-HNNXBMFYSA-N 1 0 337.489 2.991 20 70 EFIDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000160667253 544807758 /nfs/dbraw/zinc/80/77/58/544807758.db2.gz IHPYVRSWKNLUDN-BEFAXECRSA-N 1 0 337.427 2.827 20 70 EFIDRO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1)c1ccc2c(c1)CCCC2 ZINC000160828381 544808626 /nfs/dbraw/zinc/80/86/26/544808626.db2.gz LQTIDYOWCJQWKL-AVYPCKFXSA-N 1 0 344.499 2.834 20 70 EFIDRO Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161293169 544811378 /nfs/dbraw/zinc/81/13/78/544811378.db2.gz NELUSHOWBFDDES-UHFFFAOYSA-N 1 0 344.846 2.804 20 70 EFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(N3CCCC3)c(F)c2)C1 ZINC000161305785 544812547 /nfs/dbraw/zinc/81/25/47/544812547.db2.gz PKOJUAREVCRWKS-PBHICJAKSA-N 1 0 333.451 2.884 20 70 EFIDRO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161332617 544813252 /nfs/dbraw/zinc/81/32/52/544813252.db2.gz TYNZSSUODDPDPQ-CQSZACIVSA-N 1 0 344.846 2.884 20 70 EFIDRO CCc1ccc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161397875 544813601 /nfs/dbraw/zinc/81/36/01/544813601.db2.gz HGWHHNBQOWPVLU-MRXNPFEDSA-N 1 0 338.455 2.793 20 70 EFIDRO CCc1ccc(NC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161398005 544813627 /nfs/dbraw/zinc/81/36/27/544813627.db2.gz HGWHHNBQOWPVLU-INIZCTEOSA-N 1 0 338.455 2.793 20 70 EFIDRO CCc1cccc(C)c1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161308775 544813749 /nfs/dbraw/zinc/81/37/49/544813749.db2.gz ORROBKZDLBPQAE-UHFFFAOYSA-N 1 0 338.455 2.713 20 70 EFIDRO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4cc(F)ccc43)C2=O)n1 ZINC000159542408 274895609 /nfs/dbraw/zinc/89/56/09/274895609.db2.gz QLPLJNNAGOFHNX-IAGOWNOFSA-N 1 0 342.418 2.722 20 70 EFIDRO CC1(C)Cc2cccc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2O1 ZINC000161436644 275873158 /nfs/dbraw/zinc/87/31/58/275873158.db2.gz SVIPMCXRZSWFGZ-MRXNPFEDSA-N 1 0 333.395 2.846 20 70 EFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000159452478 277732076 /nfs/dbraw/zinc/73/20/76/277732076.db2.gz JXGDNLBPDRYNCQ-QKHBIGOFSA-N 1 0 336.863 2.906 20 70 EFIDRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000160439331 278273102 /nfs/dbraw/zinc/27/31/02/278273102.db2.gz BHGMBDYNBXCQEH-CQSZACIVSA-N 1 0 338.879 2.581 20 70 EFIDRO CCN(C(=O)N[C@@H](COC)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160883088 279003012 /nfs/dbraw/zinc/00/30/12/279003012.db2.gz BSCOBTOSOMYUBE-OALUTQOASA-N 1 0 345.487 2.717 20 70 EFIDRO CC(C)C[C@@H]1CCCCCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000159914165 279017299 /nfs/dbraw/zinc/01/72/99/279017299.db2.gz AAKCXJFPKMLADL-INIZCTEOSA-N 1 0 333.480 2.634 20 70 EFIDRO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000160679833 279037284 /nfs/dbraw/zinc/03/72/84/279037284.db2.gz IRNFUVWSDDZQOA-MAUKXSAKSA-N 1 0 333.451 2.595 20 70 EFIDRO CC[NH+](CC)C[C@@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000159831035 279125481 /nfs/dbraw/zinc/12/54/81/279125481.db2.gz IXIRGWFDWKECJB-QFBILLFUSA-N 1 0 347.478 2.985 20 70 EFIDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160447925 533691424 /nfs/dbraw/zinc/69/14/24/533691424.db2.gz PIRHFXFTPOKFSP-BZPMIXESSA-N 1 0 325.840 2.593 20 70 EFIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)oc2c1c(C)ccc2C ZINC000159965905 280215014 /nfs/dbraw/zinc/21/50/14/280215014.db2.gz DLRVQDNQIZRVRL-MRXNPFEDSA-N 1 0 344.455 2.935 20 70 EFIDRO COc1ccc(C2(CNC(=O)CCC[NH3+])CCCCC2)cc1OC ZINC000160141188 295113015 /nfs/dbraw/zinc/11/30/15/295113015.db2.gz DHICNQCZEHHLLT-UHFFFAOYSA-N 1 0 334.460 2.761 20 70 EFIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161138782 303912329 /nfs/dbraw/zinc/91/23/29/303912329.db2.gz RLEBXFXBEVBCHN-XDNAFOTISA-N 1 0 347.503 2.604 20 70 EFIDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)c(F)c1)C1CC1 ZINC000159577480 310688706 /nfs/dbraw/zinc/68/87/06/310688706.db2.gz OEDPXJSJOJPJPG-AWEZNQCLSA-N 1 0 343.240 2.587 20 70 EFIDRO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159668649 310689900 /nfs/dbraw/zinc/68/99/00/310689900.db2.gz RDFLRKDSQOVVOA-KFWWJZLASA-N 1 0 335.473 2.563 20 70 EFIDRO C[C@H](CNC(=O)NCCOc1ccccc1Cl)C[NH+]1CCCC1 ZINC000159660458 310690025 /nfs/dbraw/zinc/69/00/25/310690025.db2.gz LMTVUJVABQWIGO-CQSZACIVSA-N 1 0 339.867 2.750 20 70 EFIDRO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000159974497 310693468 /nfs/dbraw/zinc/69/34/68/310693468.db2.gz DZYKIGVPUUIJCL-CRAIPNDOSA-N 1 0 333.451 2.737 20 70 EFIDRO CCCOc1c(Cl)cc(/C=C/C(=O)NCCC[NH3+])cc1OC ZINC000160095910 310694789 /nfs/dbraw/zinc/69/47/89/310694789.db2.gz HJSSXHYSLMWQCL-AATRIKPKSA-N 1 0 326.824 2.616 20 70 EFIDRO O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160128302 310695268 /nfs/dbraw/zinc/69/52/68/310695268.db2.gz VQDSFGZRHNZPAX-GOSISDBHSA-N 1 0 348.512 2.814 20 70 EFIDRO Cc1cccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160191043 310695874 /nfs/dbraw/zinc/69/58/74/310695874.db2.gz ATXNSTOPCSKHCM-FBWYZNFGSA-N 1 0 342.483 2.892 20 70 EFIDRO CCC[C@@H]1CN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC000160274218 310697056 /nfs/dbraw/zinc/69/70/56/310697056.db2.gz PFKZOBHOIACDRP-OKZBNKHCSA-N 1 0 339.524 2.955 20 70 EFIDRO CO[C@@H]1CCC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160311333 310697189 /nfs/dbraw/zinc/69/71/89/310697189.db2.gz RFKBAUGNVATBHQ-QZTJIDSGSA-N 1 0 337.508 2.852 20 70 EFIDRO CC(C)Oc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000160333207 310697676 /nfs/dbraw/zinc/69/76/76/310697676.db2.gz ZJDJZYQOKSSVBI-UHFFFAOYSA-N 1 0 327.428 2.860 20 70 EFIDRO CC(C)c1nc(N(C)C)nc(N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000160513710 310699986 /nfs/dbraw/zinc/69/99/86/310699986.db2.gz QUMDHPRNJHJLCH-UHFFFAOYSA-N 1 0 348.520 2.691 20 70 EFIDRO C[NH+](C)CCN(C(=O)Nc1ccn(CC(F)(F)F)n1)C1CCCC1 ZINC000160525536 310700012 /nfs/dbraw/zinc/70/00/12/310700012.db2.gz BKMATPIJTZMFTJ-UHFFFAOYSA-N 1 0 347.385 2.784 20 70 EFIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCOc2ccccc2Cl)C1 ZINC000160908624 310703680 /nfs/dbraw/zinc/70/36/80/310703680.db2.gz OKSSDHYJPPVEMB-KGLIPLIRSA-N 1 0 339.867 2.891 20 70 EFIDRO CCCNC(=O)C1([NH2+]Cc2c(C)nc3ccccn32)CCCCC1 ZINC000160974885 310704494 /nfs/dbraw/zinc/70/44/94/310704494.db2.gz GCJNWPCXXYBMPC-UHFFFAOYSA-N 1 0 328.460 2.961 20 70 EFIDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)ncn1 ZINC000161459861 310709671 /nfs/dbraw/zinc/70/96/71/310709671.db2.gz AJAJAWJXLDCHCE-UHFFFAOYSA-N 1 0 338.455 2.947 20 70 EFIDRO C[N@H+](CC(=O)Nc1ccccc1Br)[C@@H]1CCCC[C@@H]1O ZINC000161083981 473205295 /nfs/dbraw/zinc/20/52/95/473205295.db2.gz CFTUSVGYKAAPKQ-KGLIPLIRSA-N 1 0 341.249 2.623 20 70 EFIDRO CC[C@@H]1CN(C(=O)c2c(F)cccc2Br)CC[C@H]1[NH3+] ZINC000161114640 473208060 /nfs/dbraw/zinc/20/80/60/473208060.db2.gz OOFASMXEXIAHAU-BXKDBHETSA-N 1 0 329.213 2.788 20 70 EFIDRO Cc1cnccc1CCNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000161118486 473208118 /nfs/dbraw/zinc/20/81/18/473208118.db2.gz MTFPFMLJXUPQRE-QGZVFWFLSA-N 1 0 340.471 2.752 20 70 EFIDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000161136781 473211286 /nfs/dbraw/zinc/21/12/86/473211286.db2.gz WPYXLNUBYBTRIM-UHFFFAOYSA-N 1 0 330.519 2.808 20 70 EFIDRO Cc1cnccc1CCNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000161118612 473209355 /nfs/dbraw/zinc/20/93/55/473209355.db2.gz MTFPFMLJXUPQRE-KRWDZBQOSA-N 1 0 340.471 2.752 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)N3CC[NH+](CC4CC4)CC3)c2c1 ZINC000161131448 473209941 /nfs/dbraw/zinc/20/99/41/473209941.db2.gz WDIAUYINMIJAJI-UHFFFAOYSA-N 1 0 339.439 2.720 20 70 EFIDRO Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000161134705 473209998 /nfs/dbraw/zinc/20/99/98/473209998.db2.gz MBMQAOFWACNSHZ-UHFFFAOYSA-N 1 0 337.261 2.925 20 70 EFIDRO COC[C@@H](NC(=O)C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000161144265 473211319 /nfs/dbraw/zinc/21/13/19/473211319.db2.gz XTKWMMUSXOYNFR-CQSZACIVSA-N 1 0 330.350 2.509 20 70 EFIDRO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161144889 473211759 /nfs/dbraw/zinc/21/17/59/473211759.db2.gz WSUXVHQOAOCSFP-BBWFWOEESA-N 1 0 335.492 2.556 20 70 EFIDRO C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)Oc1cccc(F)c1 ZINC000161152190 473212043 /nfs/dbraw/zinc/21/20/43/473212043.db2.gz OLWIEIPOOZHIFU-SCLBCKFNSA-N 1 0 328.387 2.596 20 70 EFIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000161145231 473212280 /nfs/dbraw/zinc/21/22/80/473212280.db2.gz OCBZJZKTBHNRIA-AAEUAGOBSA-N 1 0 343.265 2.706 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000161153714 473212531 /nfs/dbraw/zinc/21/25/31/473212531.db2.gz CYWHBHOEHKKEPW-AWEZNQCLSA-N 1 0 332.375 2.822 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000161153476 473212538 /nfs/dbraw/zinc/21/25/38/473212538.db2.gz DMPHUQSFFOPBNP-OAHLLOKOSA-N 1 0 341.411 2.664 20 70 EFIDRO COc1ccc2nc(C)cc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)c2c1 ZINC000161156193 473213311 /nfs/dbraw/zinc/21/33/11/473213311.db2.gz RRRDZLUFRWMVCI-SFHVURJKSA-N 1 0 327.428 2.622 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000161170345 473214107 /nfs/dbraw/zinc/21/41/07/473214107.db2.gz UPBRCVOJOLFOMR-KGLIPLIRSA-N 1 0 332.375 2.997 20 70 EFIDRO CCc1ncc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000161177512 473215248 /nfs/dbraw/zinc/21/52/48/473215248.db2.gz HCDTUVBFOYVWPZ-QGZVFWFLSA-N 1 0 339.443 2.998 20 70 EFIDRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000161177295 473215559 /nfs/dbraw/zinc/21/55/59/473215559.db2.gz UMPUJAFXQLRTSP-GFCCVEGCSA-N 1 0 326.362 2.853 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000161187171 473216493 /nfs/dbraw/zinc/21/64/93/473216493.db2.gz JXGRYLDIFZWETE-VIFPVBQESA-N 1 0 325.821 2.881 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc(Cc3ccc(F)cc3)n2)C1 ZINC000161208126 473216740 /nfs/dbraw/zinc/21/67/40/473216740.db2.gz PSIQYWOKBUZLIQ-ZIAGYGMSSA-N 1 0 333.432 2.873 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC000161205816 473216894 /nfs/dbraw/zinc/21/68/94/473216894.db2.gz DOPODHOHKFYADB-SFHVURJKSA-N 1 0 339.439 2.793 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc(Cc3ccc(F)cc3)n2)C1 ZINC000161207866 473217365 /nfs/dbraw/zinc/21/73/65/473217365.db2.gz PSIQYWOKBUZLIQ-UONOGXRCSA-N 1 0 333.432 2.873 20 70 EFIDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)NCc1ccccc1 ZINC000161203430 473217473 /nfs/dbraw/zinc/21/74/73/473217473.db2.gz QAVBUVXGCKEJPW-ISQRANHSSA-N 1 0 344.480 2.780 20 70 EFIDRO CCc1ncc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000161201789 473217490 /nfs/dbraw/zinc/21/74/90/473217490.db2.gz GVKQXQSXOCETOO-UHFFFAOYSA-N 1 0 331.464 2.958 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 ZINC000161215278 473218023 /nfs/dbraw/zinc/21/80/23/473218023.db2.gz ZPQKGWJSSAJJLS-CHWSQXEVSA-N 1 0 349.381 2.939 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC000161216365 473218136 /nfs/dbraw/zinc/21/81/36/473218136.db2.gz DIUBBALIVJLJPR-SFHVURJKSA-N 1 0 341.459 2.508 20 70 EFIDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCN1CCCC1=O ZINC000161226695 473218450 /nfs/dbraw/zinc/21/84/50/473218450.db2.gz YGRCCMWIIRLMLS-UHFFFAOYSA-N 1 0 344.434 2.703 20 70 EFIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)n1Cc1ccccn1 ZINC000161219899 473218550 /nfs/dbraw/zinc/21/85/50/473218550.db2.gz BTMGSBPWFFHGQY-HZPDHXFCSA-N 1 0 326.444 2.548 20 70 EFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000161229613 473219107 /nfs/dbraw/zinc/21/91/07/473219107.db2.gz JTULNTYCDRNFNH-JKSUJKDBSA-N 1 0 345.487 2.786 20 70 EFIDRO O=C(COc1ccc2c(c1)CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000161230361 473219234 /nfs/dbraw/zinc/21/92/34/473219234.db2.gz BMQKAHVUNMNPKG-UHFFFAOYSA-N 1 0 328.456 2.687 20 70 EFIDRO CC(C)c1nc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1-c1cccc(F)c1 ZINC000161242878 473219567 /nfs/dbraw/zinc/21/95/67/473219567.db2.gz GGKKEWZQXXLQKM-KBPBESRZSA-N 1 0 345.422 2.530 20 70 EFIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C(CC)(CC)C[NH3+])ccc2NC1=O ZINC000161247019 473220322 /nfs/dbraw/zinc/22/03/22/473220322.db2.gz VCUMGAUXTBQCPQ-DOMZBBRYSA-N 1 0 347.459 2.738 20 70 EFIDRO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C[NH2+]CC2CC2)cc1 ZINC000161252282 473220555 /nfs/dbraw/zinc/22/05/55/473220555.db2.gz UXEBIKHCWLXAGP-LJQANCHMSA-N 1 0 330.472 2.545 20 70 EFIDRO CC(C)Sc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000161189128 473215807 /nfs/dbraw/zinc/21/58/07/473215807.db2.gz XFBHSWGTTYPIMS-UHFFFAOYSA-N 1 0 349.500 2.728 20 70 EFIDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161194929 473215816 /nfs/dbraw/zinc/21/58/16/473215816.db2.gz MLDGQTWXTHXFFM-UHFFFAOYSA-N 1 0 344.463 2.534 20 70 EFIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000161260013 473221543 /nfs/dbraw/zinc/22/15/43/473221543.db2.gz NKJWLBCXUDGAOW-ZDUSSCGKSA-N 1 0 332.835 2.516 20 70 EFIDRO C[C@@H]([NH3+])C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000161261224 473221608 /nfs/dbraw/zinc/22/16/08/473221608.db2.gz AQEUBYSZOUJAJI-DIFFPNOSSA-N 1 0 346.814 2.664 20 70 EFIDRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000161259330 473222052 /nfs/dbraw/zinc/22/20/52/473222052.db2.gz BMJCPFXLCCHOQN-VXGBXAGGSA-N 1 0 325.250 2.621 20 70 EFIDRO COCc1nc2n(n1)C[C@@H](Nc1cc[nH+]c3cc(F)ccc13)CC2 ZINC000161336153 473227059 /nfs/dbraw/zinc/22/70/59/473227059.db2.gz WEQJBFWJARSLHN-LBPRGKRZSA-N 1 0 327.363 2.539 20 70 EFIDRO CCOc1cc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000161355895 473229084 /nfs/dbraw/zinc/22/90/84/473229084.db2.gz PEPQGBTZDKRISJ-KRWDZBQOSA-N 1 0 342.386 2.693 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000161351112 473229206 /nfs/dbraw/zinc/22/92/06/473229206.db2.gz HFINWHZLARTRTR-GWCFXTLKSA-N 1 0 331.243 2.971 20 70 EFIDRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2nccs2)cc1 ZINC000161356801 473229342 /nfs/dbraw/zinc/22/93/42/473229342.db2.gz ULPSWYMKRNZIMD-UHFFFAOYSA-N 1 0 333.457 2.794 20 70 EFIDRO CC(C)OC[C@@H](O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161358648 473229384 /nfs/dbraw/zinc/22/93/84/473229384.db2.gz SGVOULXRNLRFHS-SFHVURJKSA-N 1 0 331.460 2.727 20 70 EFIDRO CCC[N@@H+](Cc1cnc2cnccn12)C[C@H]1COc2ccccc2O1 ZINC000161416576 473233478 /nfs/dbraw/zinc/23/34/78/473233478.db2.gz ZIHCJOFRFYWIAT-INIZCTEOSA-N 1 0 338.411 2.781 20 70 EFIDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1OCC1CCOCC1 ZINC000161375803 473231016 /nfs/dbraw/zinc/23/10/16/473231016.db2.gz JBRKFJLGQUNTRM-MRXNPFEDSA-N 1 0 332.444 2.739 20 70 EFIDRO C[N@@H+]1CCC[C@H]2CN([C@@H]3CCCN(c4ccccc4F)C3=O)CC[C@@H]21 ZINC000161392075 473231527 /nfs/dbraw/zinc/23/15/27/473231527.db2.gz YHIWAPXVGPJSDF-VDZJLULYSA-N 1 0 345.462 2.737 20 70 EFIDRO Cc1cc2ncn(C[C@@H](O)Cn3ccc4occc4c3=O)c2cc1C ZINC000161391747 473231721 /nfs/dbraw/zinc/23/17/21/473231721.db2.gz XIPBMGGHNHUTAT-AWEZNQCLSA-N 1 0 337.379 2.622 20 70 EFIDRO CCOCCC1(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000161396248 473232429 /nfs/dbraw/zinc/23/24/29/473232429.db2.gz GWZHQRSCOBQBLI-KRWDZBQOSA-N 1 0 333.476 2.795 20 70 EFIDRO COc1ccccc1N1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161405412 473232959 /nfs/dbraw/zinc/23/29/59/473232959.db2.gz ZGQNFDWJAIIMKW-MRXNPFEDSA-N 1 0 346.471 2.797 20 70 EFIDRO Cc1noc(-c2ccccc2C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000161406604 473233027 /nfs/dbraw/zinc/23/30/27/473233027.db2.gz VMOIMSOQEMOQIE-BLLLJJGKSA-N 1 0 328.416 2.504 20 70 EFIDRO CCc1ccc(/C=C/C(=O)NCc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000161441804 473235562 /nfs/dbraw/zinc/23/55/62/473235562.db2.gz OXUVBILCVFIEQY-BQYQJAHWSA-N 1 0 343.427 2.507 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(OCc3cscn3)c2)C1 ZINC000161435197 473235581 /nfs/dbraw/zinc/23/55/81/473235581.db2.gz FMTVREACHZWJTL-KGLIPLIRSA-N 1 0 331.441 2.722 20 70 EFIDRO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161472699 473237678 /nfs/dbraw/zinc/23/76/78/473237678.db2.gz YAFBHQUERMYFSA-YJYMSZOUSA-N 1 0 344.459 2.537 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000161480261 473238876 /nfs/dbraw/zinc/23/88/76/473238876.db2.gz CINNYNZUBAHFKW-KGLIPLIRSA-N 1 0 336.863 2.774 20 70 EFIDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CCN(C)CC1 ZINC000161498585 473239837 /nfs/dbraw/zinc/23/98/37/473239837.db2.gz USQFWSGHDNJVBI-CQSZACIVSA-N 1 0 337.895 2.761 20 70 EFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NO[C@H]1CCCCO1 ZINC000161506660 473240935 /nfs/dbraw/zinc/24/09/35/473240935.db2.gz MKTWHPQLKWVGHR-KRWDZBQOSA-N 1 0 335.448 2.786 20 70 EFIDRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000159382290 473023649 /nfs/dbraw/zinc/02/36/49/473023649.db2.gz JEHZREWMGASVPW-AWEZNQCLSA-N 1 0 337.851 2.812 20 70 EFIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000159395581 473024893 /nfs/dbraw/zinc/02/48/93/473024893.db2.gz RMGUTZUWKWNASA-GARJFASQSA-N 1 0 343.290 2.967 20 70 EFIDRO C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[NH+](CC2CC2)CC1 ZINC000159406751 473025391 /nfs/dbraw/zinc/02/53/91/473025391.db2.gz LGVGPNYYWPTSFF-HNNXBMFYSA-N 1 0 326.444 2.749 20 70 EFIDRO O=C(CCCc1nc2ccccc2s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159411343 473025615 /nfs/dbraw/zinc/02/56/15/473025615.db2.gz MVXCPAGDPSASBG-OKILXGFUSA-N 1 0 329.469 2.972 20 70 EFIDRO C/C(=C/c1ccccc1)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159425327 473027534 /nfs/dbraw/zinc/02/75/34/473027534.db2.gz QMDKYXYZQYVTJA-BROZXCPCSA-N 1 0 336.501 2.884 20 70 EFIDRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159442351 473028830 /nfs/dbraw/zinc/02/88/30/473028830.db2.gz RSCSFOHZVROCLM-LPHOPBHVSA-N 1 0 345.487 2.627 20 70 EFIDRO Cc1ccc(-c2csc(NC(=O)[C@H](C)N(C)C[C@@H](C)O)n2)cc1 ZINC000159447794 473029507 /nfs/dbraw/zinc/02/95/07/473029507.db2.gz CXNJPYKTTQMIEH-OLZOCXBDSA-N 1 0 333.457 2.758 20 70 EFIDRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000159485618 473030831 /nfs/dbraw/zinc/03/08/31/473030831.db2.gz MFRVYWBIPZMBRN-OAGGEKHMSA-N 1 0 336.476 2.933 20 70 EFIDRO Cc1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c[nH]c1=O ZINC000159470696 473030992 /nfs/dbraw/zinc/03/09/92/473030992.db2.gz MFPJKESAPOICEK-UHFFFAOYSA-N 1 0 325.368 2.743 20 70 EFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)C1 ZINC000159476812 473031438 /nfs/dbraw/zinc/03/14/38/473031438.db2.gz WCTNKUANQVMSDE-KDOFPFPSSA-N 1 0 341.459 2.622 20 70 EFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCOCC1CC1 ZINC000159513992 473034556 /nfs/dbraw/zinc/03/45/56/473034556.db2.gz VRFZUBXJGHQZCJ-APWZRJJASA-N 1 0 345.487 2.623 20 70 EFIDRO CC(C)N(CCc1nccs1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000159519318 473035808 /nfs/dbraw/zinc/03/58/08/473035808.db2.gz DMRXDQDNQWKIFE-LSDHHAIUSA-N 1 0 338.521 2.978 20 70 EFIDRO Cc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1C1CCOCC1 ZINC000159523432 473035978 /nfs/dbraw/zinc/03/59/78/473035978.db2.gz JPALGSBTPUIFDG-UHFFFAOYSA-N 1 0 348.491 2.536 20 70 EFIDRO CC[C@H](C)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)on1 ZINC000159537644 473037140 /nfs/dbraw/zinc/03/71/40/473037140.db2.gz JTZSRQVUJACYEW-ZDUSSCGKSA-N 1 0 343.431 2.587 20 70 EFIDRO CCOC(=O)CCc1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000159585424 473041023 /nfs/dbraw/zinc/04/10/23/473041023.db2.gz SYBVMGLAMQRFQK-UHFFFAOYSA-N 1 0 347.459 2.646 20 70 EFIDRO CN1CCC([NH+]2CCC(NC(=O)C3CCC(C)(C)CC3)CC2)CC1 ZINC000159609901 473044385 /nfs/dbraw/zinc/04/43/85/473044385.db2.gz MJZXJSQYFIUCCH-UHFFFAOYSA-N 1 0 335.536 2.878 20 70 EFIDRO COc1ccc(OCCC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159632257 473045523 /nfs/dbraw/zinc/04/55/23/473045523.db2.gz TZKSLUREHUFTPV-UHFFFAOYSA-N 1 0 334.460 2.893 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000159633188 473047120 /nfs/dbraw/zinc/04/71/20/473047120.db2.gz FYPUMDVHAHJNDU-OAHLLOKOSA-N 1 0 349.475 2.810 20 70 EFIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCn1cccc1 ZINC000159638848 473047627 /nfs/dbraw/zinc/04/76/27/473047627.db2.gz XDPQCKNFGHWAGU-UHFFFAOYSA-N 1 0 328.460 2.698 20 70 EFIDRO COC(=O)CC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC000159665021 473049626 /nfs/dbraw/zinc/04/96/26/473049626.db2.gz MXUIKESVVFTVHX-UHFFFAOYSA-N 1 0 326.481 2.545 20 70 EFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000159684213 473050897 /nfs/dbraw/zinc/05/08/97/473050897.db2.gz COKILFUWYVAOJS-ZIAGYGMSSA-N 1 0 336.480 2.816 20 70 EFIDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159691381 473052665 /nfs/dbraw/zinc/05/26/65/473052665.db2.gz JAZWTBRURREFJA-LNMJFAINSA-N 1 0 332.488 2.908 20 70 EFIDRO C[NH2+]CC(=O)N(Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000159739019 473057145 /nfs/dbraw/zinc/05/71/45/473057145.db2.gz CFEAXZSEYJXEOI-GOSISDBHSA-N 1 0 340.423 2.767 20 70 EFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000159748142 473058442 /nfs/dbraw/zinc/05/84/42/473058442.db2.gz LQLXZDNNBMPFLO-BFHYXJOUSA-N 1 0 336.480 2.815 20 70 EFIDRO C[C@H]1CCC[C@@](CNC(=O)N(C)CC2CCOCC2)([NH+](C)C)C1 ZINC000159765152 473058698 /nfs/dbraw/zinc/05/86/98/473058698.db2.gz BKYZOAZFTZELAB-MAUKXSAKSA-N 1 0 325.497 2.565 20 70 EFIDRO CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000159784185 473060839 /nfs/dbraw/zinc/06/08/39/473060839.db2.gz TWFGIPFWTHCOBL-ZDUSSCGKSA-N 1 0 337.851 2.517 20 70 EFIDRO CC(C)[C@@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000159781274 473061185 /nfs/dbraw/zinc/06/11/85/473061185.db2.gz NLHNPXLTZQSXDY-HXUWFJFHSA-N 1 0 345.531 2.645 20 70 EFIDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000159790269 473061211 /nfs/dbraw/zinc/06/12/11/473061211.db2.gz JARMLHSNMAJYGX-UHFFFAOYSA-N 1 0 344.312 2.855 20 70 EFIDRO C[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)N1CCc2ccccc2C1 ZINC000159809967 473063666 /nfs/dbraw/zinc/06/36/66/473063666.db2.gz GFGITNHKVATVTR-HNNXBMFYSA-N 1 0 337.458 2.752 20 70 EFIDRO COC(=O)CCCOc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000159830048 473064832 /nfs/dbraw/zinc/06/48/32/473064832.db2.gz FCEBTWSLHSAUPL-GOSISDBHSA-N 1 0 342.395 2.657 20 70 EFIDRO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159871712 473068867 /nfs/dbraw/zinc/06/88/67/473068867.db2.gz NBVWJMMASYCINR-HKUYNNGSSA-N 1 0 344.499 2.707 20 70 EFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1 ZINC000159870928 473069306 /nfs/dbraw/zinc/06/93/06/473069306.db2.gz RFOPWXBGESYCAT-MJGOQNOKSA-N 1 0 333.476 2.626 20 70 EFIDRO CCCC1(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCC1 ZINC000159909421 473071491 /nfs/dbraw/zinc/07/14/91/473071491.db2.gz CZFLIZQMEOJAKF-KRWDZBQOSA-N 1 0 338.540 2.528 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159930721 473072586 /nfs/dbraw/zinc/07/25/86/473072586.db2.gz XXMMJTACVYJYAL-HNNXBMFYSA-N 1 0 333.451 2.871 20 70 EFIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000159958635 473076280 /nfs/dbraw/zinc/07/62/80/473076280.db2.gz SGDZZQQWTQBWHP-VQIMIIECSA-N 1 0 326.440 2.916 20 70 EFIDRO CCSCc1cccc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000160028373 473081399 /nfs/dbraw/zinc/08/13/99/473081399.db2.gz YYZMBGSGOPTFGL-BBRMVZONSA-N 1 0 337.489 2.780 20 70 EFIDRO CCOC(=O)C1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000160033968 473081414 /nfs/dbraw/zinc/08/14/14/473081414.db2.gz NLHCILOEKSSULL-UHFFFAOYSA-N 1 0 336.476 2.633 20 70 EFIDRO CCSCc1cccc(NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000160028501 473081883 /nfs/dbraw/zinc/08/18/83/473081883.db2.gz YYZMBGSGOPTFGL-CJNGLKHVSA-N 1 0 337.489 2.780 20 70 EFIDRO CCOC[C@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000160066079 473083980 /nfs/dbraw/zinc/08/39/80/473083980.db2.gz MSHSBKWWBYYABM-KRWDZBQOSA-N 1 0 330.472 2.583 20 70 EFIDRO C[C@]1(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCO1 ZINC000160061499 473084432 /nfs/dbraw/zinc/08/44/32/473084432.db2.gz IMBDMCRAMXVYGI-LJQANCHMSA-N 1 0 337.508 2.853 20 70 EFIDRO Cc1cccc([C@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000160060291 473084467 /nfs/dbraw/zinc/08/44/67/473084467.db2.gz UIPFZRRJWSFTBU-LJQANCHMSA-N 1 0 344.503 2.516 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)N(CCCCO)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160119057 473087996 /nfs/dbraw/zinc/08/79/96/473087996.db2.gz VPWVCSQBJNVQJH-AEFFLSMTSA-N 1 0 345.487 2.596 20 70 EFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)C1 ZINC000160131715 473089721 /nfs/dbraw/zinc/08/97/21/473089721.db2.gz GHXDTXGAQUVTMZ-ZDUSSCGKSA-N 1 0 348.397 2.531 20 70 EFIDRO CC[C@H]([NH3+])C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000160137670 473091659 /nfs/dbraw/zinc/09/16/59/473091659.db2.gz OAROTDYQDXTRNI-IBGZPJMESA-N 1 0 342.439 2.840 20 70 EFIDRO COC[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000160202268 473096280 /nfs/dbraw/zinc/09/62/80/473096280.db2.gz NRKVVVYGMOOWNN-KRWDZBQOSA-N 1 0 333.476 2.621 20 70 EFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000160225861 473097563 /nfs/dbraw/zinc/09/75/63/473097563.db2.gz XDUPRGFDLWSIRF-HOCLYGCPSA-N 1 0 349.500 2.764 20 70 EFIDRO COc1ccccc1CNC(=O)CN1CCC[C@H]1c1cccc(C)n1 ZINC000160227813 473097695 /nfs/dbraw/zinc/09/76/95/473097695.db2.gz REYYKHNEMVCMCW-SFHVURJKSA-N 1 0 339.439 2.852 20 70 EFIDRO CCc1c(C(=O)NCCC[NH+]2CCC(C)CC2)cnn1CC(C)C ZINC000160215990 473098453 /nfs/dbraw/zinc/09/84/53/473098453.db2.gz QGRKYLDGDNALST-UHFFFAOYSA-N 1 0 334.508 2.953 20 70 EFIDRO C[C@@]1(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCS1 ZINC000160240696 473099646 /nfs/dbraw/zinc/09/96/46/473099646.db2.gz PPUJECSRTUMTOA-SFHVURJKSA-N 1 0 333.501 2.630 20 70 EFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000160247889 473101265 /nfs/dbraw/zinc/10/12/65/473101265.db2.gz PQBYJGACNJXUOD-BBRMVZONSA-N 1 0 336.480 2.672 20 70 EFIDRO CCC[C@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000160255811 473101625 /nfs/dbraw/zinc/10/16/25/473101625.db2.gz HVLIKEPNAMINDP-KRWDZBQOSA-N 1 0 325.497 2.709 20 70 EFIDRO c1ccc(-c2noc(C3CC[NH+](CCOCC4CC4)CC3)n2)nc1 ZINC000160265732 473102703 /nfs/dbraw/zinc/10/27/03/473102703.db2.gz TXDGMTWMJQYZCH-UHFFFAOYSA-N 1 0 328.416 2.738 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000160388241 473115531 /nfs/dbraw/zinc/11/55/31/473115531.db2.gz HMXSXGYEMWUVIV-VYDXJSESSA-N 1 0 332.419 2.765 20 70 EFIDRO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000160387989 473115786 /nfs/dbraw/zinc/11/57/86/473115786.db2.gz YYSMFGHITINBHE-RCMKLKEOSA-N 1 0 344.430 2.620 20 70 EFIDRO O=C(Cc1csc(-c2cccc(F)c2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160409904 473120002 /nfs/dbraw/zinc/12/00/02/473120002.db2.gz DGJGKNPYTAPKMG-GASCZTMLSA-N 1 0 345.443 2.845 20 70 EFIDRO CCn1cc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cn1 ZINC000160422801 473121708 /nfs/dbraw/zinc/12/17/08/473121708.db2.gz GTTZCBNVTGZLHU-INIZCTEOSA-N 1 0 328.460 2.586 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCCNc2ccccn2)CC1 ZINC000160435245 473123766 /nfs/dbraw/zinc/12/37/66/473123766.db2.gz SWKFRRFVBJWAKU-UHFFFAOYSA-N 1 0 347.507 2.647 20 70 EFIDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160437978 473125959 /nfs/dbraw/zinc/12/59/59/473125959.db2.gz KUKLKUJQDSKVEQ-SFHVURJKSA-N 1 0 347.459 2.708 20 70 EFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc(Cl)nc1 ZINC000160474964 473129355 /nfs/dbraw/zinc/12/93/55/473129355.db2.gz SPVBKVPLCVQXPL-OAHLLOKOSA-N 1 0 338.883 2.841 20 70 EFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1(CCOC)CCC1 ZINC000160472739 473130322 /nfs/dbraw/zinc/13/03/22/473130322.db2.gz HVVGLUFFGSHMEI-INIZCTEOSA-N 1 0 325.497 2.757 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000160469340 473130375 /nfs/dbraw/zinc/13/03/75/473130375.db2.gz WVEJMXDYZVRVAP-AATRIKPKSA-N 1 0 326.853 2.696 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)n(Cc2ccccn2)c1C ZINC000160491466 473132160 /nfs/dbraw/zinc/13/21/60/473132160.db2.gz DMELYLYZYFIOGA-UHFFFAOYSA-N 1 0 328.460 2.796 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000160493865 473132914 /nfs/dbraw/zinc/13/29/14/473132914.db2.gz WLVZSYYFTWISNF-UHFFFAOYSA-N 1 0 346.450 2.804 20 70 EFIDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)nnn1-c1ccc(F)cc1 ZINC000160564133 473143002 /nfs/dbraw/zinc/14/30/02/473143002.db2.gz MHETVYMVZCXQBQ-QEORTHHSSA-N 1 0 332.423 2.917 20 70 EFIDRO CC[C@@H](C)C[N@H+](CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000160567114 473143849 /nfs/dbraw/zinc/14/38/49/473143849.db2.gz GFFAINSTEGTSSR-CQSZACIVSA-N 1 0 341.459 2.932 20 70 EFIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000160574629 473145034 /nfs/dbraw/zinc/14/50/34/473145034.db2.gz SKODHJSQBFDBPA-OALUTQOASA-N 1 0 349.519 2.852 20 70 EFIDRO [NH3+]C1(CC(=O)NCC2(c3ccccc3Br)CC2)CCC1 ZINC000160596062 473147439 /nfs/dbraw/zinc/14/74/39/473147439.db2.gz ZEKOALIKVNOTJH-UHFFFAOYSA-N 1 0 337.261 2.868 20 70 EFIDRO O=C(C[C@H]1CCC[NH2+]1)NCC1(c2ccccc2Br)CC1 ZINC000160595889 473147668 /nfs/dbraw/zinc/14/76/68/473147668.db2.gz MIBUEDREPWVZMT-GFCCVEGCSA-N 1 0 337.261 2.739 20 70 EFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CSCCS2)c1 ZINC000160596257 473148095 /nfs/dbraw/zinc/14/80/95/473148095.db2.gz YZYLNUIBLOJQJK-MRXNPFEDSA-N 1 0 338.542 2.993 20 70 EFIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)C(C)(C)O1 ZINC000160625894 473153537 /nfs/dbraw/zinc/15/35/37/473153537.db2.gz UTOBMXZHRKYZME-SFHVURJKSA-N 1 0 332.488 2.955 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2cccc(F)c2)CCCC1 ZINC000160624745 473153688 /nfs/dbraw/zinc/15/36/88/473153688.db2.gz KYFXTKGWCBJKAS-GOSISDBHSA-N 1 0 348.462 2.601 20 70 EFIDRO CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCc2ccccc2C1 ZINC000160627686 473153814 /nfs/dbraw/zinc/15/38/14/473153814.db2.gz JAOHJWVIMJIGSE-MOPGFXCFSA-N 1 0 327.472 2.670 20 70 EFIDRO CC1CCN(C(=O)C2CCN(CCC[NH+]3CCCCC3)CC2)CC1 ZINC000160624973 473153959 /nfs/dbraw/zinc/15/39/59/473153959.db2.gz XRDLRIOUGSADCC-UHFFFAOYSA-N 1 0 335.536 2.833 20 70 EFIDRO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160635517 473154843 /nfs/dbraw/zinc/15/48/43/473154843.db2.gz FSSPNVUYRAMALD-MSOLQXFVSA-N 1 0 337.508 2.707 20 70 EFIDRO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160635179 473155159 /nfs/dbraw/zinc/15/51/59/473155159.db2.gz XLPHFWFDFIDXIB-WCFLWFBJSA-N 1 0 326.799 2.599 20 70 EFIDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(C)(C)O ZINC000160643893 473155644 /nfs/dbraw/zinc/15/56/44/473155644.db2.gz DBVUCCAOMKEQSJ-JTQLQIEISA-N 1 0 334.338 2.663 20 70 EFIDRO Cc1ccc2c(CC(=O)NC[C@@H](O)C[NH+]3CCCCC3)coc2c1C ZINC000160647068 473157027 /nfs/dbraw/zinc/15/70/27/473157027.db2.gz CDEANMUBQHCXRF-QGZVFWFLSA-N 1 0 344.455 2.555 20 70 EFIDRO CCN(C(=O)NC[C@]1(C)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160666001 473157892 /nfs/dbraw/zinc/15/78/92/473157892.db2.gz HRWUYEKMVSYQBQ-ICSRJNTNSA-N 1 0 345.487 2.862 20 70 EFIDRO Nc1nc(-n2cccn2)cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)[nH+]1 ZINC000160660348 473158226 /nfs/dbraw/zinc/15/82/26/473158226.db2.gz JQODSGHNDSMRMD-LSDHHAIUSA-N 1 0 336.399 2.577 20 70 EFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000160700811 473163138 /nfs/dbraw/zinc/16/31/38/473163138.db2.gz AHSNNWAGMHBGRI-AWEZNQCLSA-N 1 0 344.377 2.771 20 70 EFIDRO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000160705551 473163243 /nfs/dbraw/zinc/16/32/43/473163243.db2.gz NFFKJZQUXFXAGQ-UHFFFAOYSA-N 1 0 349.438 2.567 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000160705464 473163452 /nfs/dbraw/zinc/16/34/52/473163452.db2.gz GPMQWSHRANVLOU-CQSZACIVSA-N 1 0 337.261 2.691 20 70 EFIDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)N[C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC000160743209 473170003 /nfs/dbraw/zinc/17/00/03/473170003.db2.gz YVPVXJZSZBXMIK-HCXYKTFWSA-N 1 0 343.471 2.785 20 70 EFIDRO C[NH2+]C[C@@H](C)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000160741190 473170058 /nfs/dbraw/zinc/17/00/58/473170058.db2.gz LLOCTQDFWNFZEM-GFCCVEGCSA-N 1 0 339.277 2.795 20 70 EFIDRO O=C(/C=C/c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160768200 473172026 /nfs/dbraw/zinc/17/20/26/473172026.db2.gz ZMYXGLFLURTVRZ-ONNQBUSKSA-N 1 0 328.456 2.584 20 70 EFIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160763777 473172228 /nfs/dbraw/zinc/17/22/28/473172228.db2.gz YCZXDTKTIJIONN-ROUUACIJSA-N 1 0 331.460 2.644 20 70 EFIDRO Cc1ccc2c(c1)[C@@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)CO2 ZINC000160791717 473174650 /nfs/dbraw/zinc/17/46/50/473174650.db2.gz BIPKOCDZJFSHTJ-RDJZCZTQSA-N 1 0 331.460 2.992 20 70 EFIDRO CN(CC1CC[NH+](C)CC1)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000160785706 473174960 /nfs/dbraw/zinc/17/49/60/473174960.db2.gz LNANJZYBGBVXCZ-UHFFFAOYSA-N 1 0 329.488 2.993 20 70 EFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2ccccc2CC1 ZINC000160792639 473176690 /nfs/dbraw/zinc/17/66/90/473176690.db2.gz OEKJBCONXTUOBA-GOSISDBHSA-N 1 0 327.472 2.814 20 70 EFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(OC(C)(C)C)CC1 ZINC000160827153 473179693 /nfs/dbraw/zinc/17/96/93/473179693.db2.gz XEJAVBYPBZTIBO-KRWDZBQOSA-N 1 0 340.508 2.586 20 70 EFIDRO Cc1ccccc1-n1nc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c2c1CCC2 ZINC000160836326 473180381 /nfs/dbraw/zinc/18/03/81/473180381.db2.gz MOGLGCYVTMEVLP-CABCVRRESA-N 1 0 338.455 2.669 20 70 EFIDRO CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160852099 473184024 /nfs/dbraw/zinc/18/40/24/473184024.db2.gz AZGMOELWAJTIPY-KZNAEPCWSA-N 1 0 331.460 2.518 20 70 EFIDRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000160868513 473185540 /nfs/dbraw/zinc/18/55/40/473185540.db2.gz WJSGZCNGBHBFQE-SFHVURJKSA-N 1 0 342.487 2.899 20 70 EFIDRO CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1CCC(CO)CC1 ZINC000160876525 473186286 /nfs/dbraw/zinc/18/62/86/473186286.db2.gz PGQPFERYBALGCZ-NRXISQOPSA-N 1 0 339.505 2.543 20 70 EFIDRO CCCO[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160879486 473186752 /nfs/dbraw/zinc/18/67/52/473186752.db2.gz HDZYHVMGDAKNSH-WMZOPIPTSA-N 1 0 337.508 2.994 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2Br)C1 ZINC000160889479 473186866 /nfs/dbraw/zinc/18/68/66/473186866.db2.gz QFFTWJXXBJBXEV-CHWSQXEVSA-N 1 0 325.250 2.768 20 70 EFIDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160905787 473188966 /nfs/dbraw/zinc/18/89/66/473188966.db2.gz ANJTZCIJXHGFOG-CQSZACIVSA-N 1 0 334.464 2.736 20 70 EFIDRO Cc1cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)ccc1OC(C)C ZINC000160902890 473189941 /nfs/dbraw/zinc/18/99/41/473189941.db2.gz ACQMKMSDCZGGLZ-UHFFFAOYSA-N 1 0 343.431 2.551 20 70 EFIDRO Cc1nnc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1C1CC1 ZINC000160914311 473190271 /nfs/dbraw/zinc/19/02/71/473190271.db2.gz HRWQXBRTQOOEDZ-HNNXBMFYSA-N 1 0 326.448 2.559 20 70 EFIDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1ccc(F)cc1 ZINC000160941478 473193580 /nfs/dbraw/zinc/19/35/80/473193580.db2.gz ZKCVBUBRPBNXAH-QGZVFWFLSA-N 1 0 342.418 2.961 20 70 EFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOc2cccc(Br)c2)C1 ZINC000160942329 473193792 /nfs/dbraw/zinc/19/37/92/473193792.db2.gz JSWAUEDSKZQVQW-CHWSQXEVSA-N 1 0 341.249 2.604 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000160956882 473194468 /nfs/dbraw/zinc/19/44/68/473194468.db2.gz YBPRPRQBOQEBFY-SFHVURJKSA-N 1 0 328.387 2.728 20 70 EFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)C(C)(C)O1 ZINC000160953399 473194668 /nfs/dbraw/zinc/19/46/68/473194668.db2.gz NMIDSOKYKINUMV-OAHLLOKOSA-N 1 0 325.474 2.667 20 70 EFIDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000160965852 473194900 /nfs/dbraw/zinc/19/49/00/473194900.db2.gz RIIWLRYKSRAWBK-UHFFFAOYSA-N 1 0 340.855 2.505 20 70 EFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000160967652 473195271 /nfs/dbraw/zinc/19/52/71/473195271.db2.gz VMYIMYOAVFCYOD-VQIMIIECSA-N 1 0 329.488 2.672 20 70 EFIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)C1 ZINC000160963087 473195309 /nfs/dbraw/zinc/19/53/09/473195309.db2.gz FBMFVOYDDGFLPF-GFCCVEGCSA-N 1 0 339.461 2.730 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160972987 473195715 /nfs/dbraw/zinc/19/57/15/473195715.db2.gz BQGGFCLNYJFHJM-QGZVFWFLSA-N 1 0 347.507 2.809 20 70 EFIDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000160985539 473196452 /nfs/dbraw/zinc/19/64/52/473196452.db2.gz RRJGSYVHCZFHQN-HTQZYQBOSA-N 1 0 333.251 2.519 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC000160989434 473197191 /nfs/dbraw/zinc/19/71/91/473197191.db2.gz OSDHMZHNMBFQOL-LBPRGKRZSA-N 1 0 334.366 2.940 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000160997321 473197421 /nfs/dbraw/zinc/19/74/21/473197421.db2.gz ONMNLKAIAQHFCM-CABCVRRESA-N 1 0 347.459 2.802 20 70 EFIDRO COc1ccccc1[C@H](CNC(=O)c1cccc(F)n1)[NH+]1CCCC1 ZINC000160997580 473197808 /nfs/dbraw/zinc/19/78/08/473197808.db2.gz WUOKCXDRQOTJEF-INIZCTEOSA-N 1 0 343.402 2.796 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000161035362 473201101 /nfs/dbraw/zinc/20/11/01/473201101.db2.gz UGDZABYRHMXBOP-LBPRGKRZSA-N 1 0 347.484 2.581 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C[C@H](C)CC)nc(N)c21 ZINC000161047491 473201380 /nfs/dbraw/zinc/20/13/80/473201380.db2.gz PTVFTQJABSZKNJ-SNVBAGLBSA-N 1 0 334.420 2.768 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C[C@@H](C)CC)nc(N)c21 ZINC000161047609 473201480 /nfs/dbraw/zinc/20/14/80/473201480.db2.gz PTVFTQJABSZKNJ-JTQLQIEISA-N 1 0 334.420 2.768 20 70 EFIDRO Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)n2)cc1F ZINC000161061087 473203611 /nfs/dbraw/zinc/20/36/11/473203611.db2.gz SNZPSPXAHMTBPC-UONOGXRCSA-N 1 0 346.406 2.503 20 70 EFIDRO Cc1cccc(N2CCN(C(=O)C[NH2+][C@H]3CCCC[C@H]3C)CC2)c1 ZINC000217141894 474141551 /nfs/dbraw/zinc/14/15/51/474141551.db2.gz UKNUSDVRBQEKBX-MJGOQNOKSA-N 1 0 329.488 2.812 20 70 EFIDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(-n2cncn2)cc1 ZINC000160119393 533890280 /nfs/dbraw/zinc/89/02/80/533890280.db2.gz LPMVUOAHRUHHEF-SUMWQHHRSA-N 1 0 328.441 2.887 20 70 EFIDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc(OC)c1OC ZINC000159508643 533901499 /nfs/dbraw/zinc/90/14/99/533901499.db2.gz VGHYKQZGTPOCPS-XWIAVFTESA-N 1 0 333.428 2.760 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000160335701 533917676 /nfs/dbraw/zinc/91/76/76/533917676.db2.gz JJNJKROWVKXEFP-ZBFHGGJFSA-N 1 0 344.484 2.948 20 70 EFIDRO C[C@@H](CNC(=O)NCc1ccc(O)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000159590015 533970489 /nfs/dbraw/zinc/97/04/89/533970489.db2.gz PMSQBMCNXJUTFW-AWEZNQCLSA-N 1 0 345.418 2.851 20 70 EFIDRO Cc1cc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)oc2cc1C ZINC000160234203 534086570 /nfs/dbraw/zinc/08/65/70/534086570.db2.gz PJEKLVRFBKQOMV-MRXNPFEDSA-N 1 0 330.428 2.626 20 70 EFIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000159880674 534110772 /nfs/dbraw/zinc/11/07/72/534110772.db2.gz ZNPILFFLAGBQPH-APWZRJJASA-N 1 0 330.472 2.782 20 70 EFIDRO COc1ccc2c(c1)CCN2C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160784827 518162800 /nfs/dbraw/zinc/16/28/00/518162800.db2.gz KVZKRYSKPRYBIF-OAHLLOKOSA-N 1 0 329.444 2.784 20 70 EFIDRO CC(=O)Nc1ccccc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000160229607 519750744 /nfs/dbraw/zinc/75/07/44/519750744.db2.gz LBKOKOPKYQOBTF-UHFFFAOYSA-N 1 0 345.487 2.770 20 70 EFIDRO Cc1ccsc1CCCC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000160270769 534460771 /nfs/dbraw/zinc/46/07/71/534460771.db2.gz KIYBUZVWYOSGFQ-HOTGVXAUSA-N 1 0 338.517 2.995 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)sc1Cl ZINC000160221289 534537654 /nfs/dbraw/zinc/53/76/54/534537654.db2.gz YGICQRHZKJXXGY-SECBINFHSA-N 1 0 337.272 2.632 20 70 EFIDRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(=O)N1CCc2sccc2C1 ZINC000160163281 521176420 /nfs/dbraw/zinc/17/64/20/521176420.db2.gz OYPLJIRXUULQBD-BMFZPTHFSA-N 1 0 336.501 2.816 20 70 EFIDRO CCC[N@H+](CCCC(=O)OC)CC(=O)Nc1ccc(Cl)cc1 ZINC000217229244 521652309 /nfs/dbraw/zinc/65/23/09/521652309.db2.gz VBWRBEBUMPITNX-UHFFFAOYSA-N 1 0 326.824 2.944 20 70 EFIDRO O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC[NH2+]CC1 ZINC000159368482 534581351 /nfs/dbraw/zinc/58/13/51/534581351.db2.gz ZRZCGJJMCUFBHG-UONOGXRCSA-N 1 0 327.453 2.778 20 70 EFIDRO O=C([C@H]1CCC[NH2+]C1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510151 534627103 /nfs/dbraw/zinc/62/71/03/534627103.db2.gz UDUNEOIJISUCOI-DOTOQJQBSA-N 1 0 336.863 2.612 20 70 EFIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NO[C@@H]1CCCCO1 ZINC000161110583 534628436 /nfs/dbraw/zinc/62/84/36/534628436.db2.gz XFZIUHAACZLIIQ-IAGOWNOFSA-N 1 0 333.432 2.581 20 70 EFIDRO Cc1cnccc1CCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000159715792 534697668 /nfs/dbraw/zinc/69/76/68/534697668.db2.gz ITGRBAWZJPTOOV-SFHVURJKSA-N 1 0 344.434 2.674 20 70 EFIDRO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000160387863 534733379 /nfs/dbraw/zinc/73/33/79/534733379.db2.gz YYSMFGHITINBHE-DZXRDFMUSA-N 1 0 344.430 2.620 20 70 EFIDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160198036 534813265 /nfs/dbraw/zinc/81/32/65/534813265.db2.gz DSPURKARJDKPRO-FQEVSTJZSA-N 1 0 345.487 2.516 20 70 EFIDRO C[C@@H]([NH3+])C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000159486072 524986297 /nfs/dbraw/zinc/98/62/97/524986297.db2.gz AKYIKXRBNUENSW-CYBMUJFWSA-N 1 0 338.411 2.563 20 70 EFIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000160656228 525310469 /nfs/dbraw/zinc/31/04/69/525310469.db2.gz RYTWWJROQXAEMB-ZDUSSCGKSA-N 1 0 325.474 2.824 20 70 EFIDRO Cc1ccn(-c2ccc(N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)nn2)n1 ZINC000160219194 534852576 /nfs/dbraw/zinc/85/25/76/534852576.db2.gz RBIQDNYOWCNONB-YJBOKZPZSA-N 1 0 348.454 2.903 20 70 EFIDRO C[C@@H]1[C@H](C)OCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000161306238 525686140 /nfs/dbraw/zinc/68/61/40/525686140.db2.gz VFWPPWDKZWMLBU-CABCVRRESA-N 1 0 349.450 2.609 20 70 EFIDRO CC(C)(C)c1nsc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000160151818 526906268 /nfs/dbraw/zinc/90/62/68/526906268.db2.gz JKQNXKLXPBOQCC-CABCVRRESA-N 1 0 346.500 2.883 20 70 EFIDRO CC(C)(CNC(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCCCC1 ZINC000160655832 527148590 /nfs/dbraw/zinc/14/85/90/527148590.db2.gz OMHULEJPMCHSPZ-UHFFFAOYSA-N 1 0 347.385 2.831 20 70 EFIDRO CC(C)([NH3+])CNC(=O)/C=C/c1ccc(OCc2cccnc2)cc1 ZINC000160018285 527241883 /nfs/dbraw/zinc/24/18/83/527241883.db2.gz VHPXLTTTZUUMKX-JXMROGBWSA-N 1 0 325.412 2.527 20 70 EFIDRO CC(C)(NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1cccc(Cl)c1 ZINC000159645971 527288583 /nfs/dbraw/zinc/28/85/83/527288583.db2.gz VYESSZWOZKNFMS-UHFFFAOYSA-N 1 0 347.850 2.521 20 70 EFIDRO CCCC(=O)Nc1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000159643306 527957648 /nfs/dbraw/zinc/95/76/48/527957648.db2.gz LHKIQCKGQACWII-UHFFFAOYSA-N 1 0 346.475 2.662 20 70 EFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000160995616 527962791 /nfs/dbraw/zinc/96/27/91/527962791.db2.gz TVCCVRZMYNMTHS-FUHWJXTLSA-N 1 0 337.508 2.707 20 70 EFIDRO CC1(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000159644253 528023430 /nfs/dbraw/zinc/02/34/30/528023430.db2.gz MNHZPSVIOOSBLJ-UHFFFAOYSA-N 1 0 344.503 2.831 20 70 EFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000159448838 528023497 /nfs/dbraw/zinc/02/34/97/528023497.db2.gz QYNKDIIXPXGWPH-MRXNPFEDSA-N 1 0 345.487 2.843 20 70 EFIDRO CCN(CC)C(=O)COc1cccc(NC(=O)C(CC)(CC)C[NH3+])c1 ZINC000161174938 528029914 /nfs/dbraw/zinc/02/99/14/528029914.db2.gz NHYIMALYOBSFLK-UHFFFAOYSA-N 1 0 349.475 2.637 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)ccn1 ZINC000159613651 528110645 /nfs/dbraw/zinc/11/06/45/528110645.db2.gz AOFYZEVVQBWZDB-OAHLLOKOSA-N 1 0 334.464 2.542 20 70 EFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ncn(-c2ccccc2)n1 ZINC000160656584 528121368 /nfs/dbraw/zinc/12/13/68/528121368.db2.gz ZMJIFGKRFCCKRQ-UHFFFAOYSA-N 1 0 343.475 2.707 20 70 EFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@](C)(O)C2)cc1 ZINC000159983603 528189037 /nfs/dbraw/zinc/18/90/37/528189037.db2.gz YUMZKWRZYKIXHG-LJQANCHMSA-N 1 0 333.476 2.585 20 70 EFIDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1 ZINC000159400565 528194870 /nfs/dbraw/zinc/19/48/70/528194870.db2.gz DDDRJOUITRZHFC-UHFFFAOYSA-N 1 0 343.471 2.870 20 70 EFIDRO CCC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000160159826 528240528 /nfs/dbraw/zinc/24/05/28/528240528.db2.gz PVPSSFPANPIQBU-PVAVHDDUSA-N 1 0 349.544 2.874 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 ZINC000161086160 528288335 /nfs/dbraw/zinc/28/83/35/528288335.db2.gz BTPRBHHQGVVIGO-UHFFFAOYSA-N 1 0 339.439 2.504 20 70 EFIDRO CCCOc1ccc(/C=C/C(=O)N2CCC[NH2+]CC2)cc1OCC ZINC000160868534 528638270 /nfs/dbraw/zinc/63/82/70/528638270.db2.gz ZRUVLMMRMPOXLL-VQHVLOKHSA-N 1 0 332.444 2.709 20 70 EFIDRO CCCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH3+])cc1OCC ZINC000160343075 528638371 /nfs/dbraw/zinc/63/83/71/528638371.db2.gz ZQRFCYWANWCPFD-XAVKZTDYSA-N 1 0 332.444 2.837 20 70 EFIDRO CCOCCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000160343071 528657620 /nfs/dbraw/zinc/65/76/20/528657620.db2.gz WYERSUAOTPRNNW-UHFFFAOYSA-N 1 0 334.229 2.809 20 70 EFIDRO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159828988 528683777 /nfs/dbraw/zinc/68/37/77/528683777.db2.gz QXVVPDYPGIQHIB-OAHLLOKOSA-N 1 0 343.475 2.989 20 70 EFIDRO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159829111 528685534 /nfs/dbraw/zinc/68/55/34/528685534.db2.gz QXVVPDYPGIQHIB-HNNXBMFYSA-N 1 0 343.475 2.989 20 70 EFIDRO CC1(C)CC(NC(=O)c2ccncc2Br)CC(C)(C)[NH2+]1 ZINC000159583152 528888298 /nfs/dbraw/zinc/88/82/98/528888298.db2.gz XZUGPSGWLGTWNO-UHFFFAOYSA-N 1 0 340.265 2.883 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000159644129 528894092 /nfs/dbraw/zinc/89/40/92/528894092.db2.gz LOOLYRIBGZJIDN-AEFFLSMTSA-N 1 0 335.492 2.523 20 70 EFIDRO CCC[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000160159712 529019470 /nfs/dbraw/zinc/01/94/70/529019470.db2.gz PVPSSFPANPIQBU-DJIMGWMZSA-N 1 0 349.544 2.874 20 70 EFIDRO CCC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)N1CCc2sccc2C1 ZINC000160174492 529021516 /nfs/dbraw/zinc/02/15/16/529021516.db2.gz YZFWRCFMQBVPRQ-CZUORRHYSA-N 1 0 346.500 2.886 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCCc2c[nH]c3ccccc23)CC1 ZINC000159833883 529025113 /nfs/dbraw/zinc/02/51/13/529025113.db2.gz RHBXAKRQIOGJRJ-UHFFFAOYSA-N 1 0 328.460 2.838 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(-c3csc(C)n3)o2)CC1 ZINC000159566366 529026935 /nfs/dbraw/zinc/02/69/35/529026935.db2.gz ISYQVXNLMPWHIX-UHFFFAOYSA-N 1 0 348.472 2.949 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000159926918 529027215 /nfs/dbraw/zinc/02/72/15/529027215.db2.gz HFECCJVTAOREBP-AWEZNQCLSA-N 1 0 339.867 2.845 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC)c(Cl)c2)CC1 ZINC000160007342 529027311 /nfs/dbraw/zinc/02/73/11/529027311.db2.gz LOAQEAABRYRACD-UHFFFAOYSA-N 1 0 325.840 2.586 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000159871363 529028415 /nfs/dbraw/zinc/02/84/15/529028415.db2.gz ADHWKWJYCMLGCQ-QGZVFWFLSA-N 1 0 348.466 2.532 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000159569497 529030842 /nfs/dbraw/zinc/03/08/42/529030842.db2.gz PANSLMSWQOCGDL-SFHVURJKSA-N 1 0 331.460 2.884 20 70 EFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159747149 529078822 /nfs/dbraw/zinc/07/88/22/529078822.db2.gz KATAXPLAHQARQI-KURKYZTESA-N 1 0 331.460 2.690 20 70 EFIDRO CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000160111392 529108417 /nfs/dbraw/zinc/10/84/17/529108417.db2.gz RHERJVLXRMPGPF-INIZCTEOSA-N 1 0 347.503 2.592 20 70 EFIDRO CC[NH+]1CCN(CCCNC(=O)[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000159809100 529144618 /nfs/dbraw/zinc/14/46/18/529144618.db2.gz KZADGYZPHWRHHM-HXUWFJFHSA-N 1 0 345.531 2.645 20 70 EFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000159837955 529163708 /nfs/dbraw/zinc/16/37/08/529163708.db2.gz PFWALZPAKUIDHR-SQWLQELKSA-N 1 0 336.501 2.756 20 70 EFIDRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159884454 529249315 /nfs/dbraw/zinc/24/93/15/529249315.db2.gz QDMIKOLECBEHBZ-QGZVFWFLSA-N 1 0 334.435 2.974 20 70 EFIDRO CC[C@H](CNC(=O)[C@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000159758426 529357104 /nfs/dbraw/zinc/35/71/04/529357104.db2.gz ZPIJEFAPXOOWGW-JSGCOSHPSA-N 1 0 339.277 2.744 20 70 EFIDRO CC[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000159758295 529486196 /nfs/dbraw/zinc/48/61/96/529486196.db2.gz ZPIJEFAPXOOWGW-TZMCWYRMSA-N 1 0 339.277 2.744 20 70 EFIDRO CC[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000159758551 529486984 /nfs/dbraw/zinc/48/69/84/529486984.db2.gz ZPIJEFAPXOOWGW-OCCSQVGLSA-N 1 0 339.277 2.744 20 70 EFIDRO CCc1ccc(C(=O)Nc2sccc2C(=O)NCCC[NH3+])cc1 ZINC000160166035 529611984 /nfs/dbraw/zinc/61/19/84/529611984.db2.gz UGDUQJJYQCDIAO-UHFFFAOYSA-N 1 0 331.441 2.641 20 70 EFIDRO CN1CCc2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc2C1=O ZINC000160795961 529813663 /nfs/dbraw/zinc/81/36/63/529813663.db2.gz JHTZKRQSHMYJBK-DOTOQJQBSA-N 1 0 329.444 2.551 20 70 EFIDRO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000159775647 529839066 /nfs/dbraw/zinc/83/90/66/529839066.db2.gz HOVNSEFCBYCHMB-FZMZJTMJSA-N 1 0 330.350 2.737 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000161215283 529989093 /nfs/dbraw/zinc/98/90/93/529989093.db2.gz ZNERCVGNGMUHAU-OLZOCXBDSA-N 1 0 332.473 2.568 20 70 EFIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160763628 282446556 /nfs/dbraw/zinc/44/65/56/282446556.db2.gz YCZXDTKTIJIONN-MSOLQXFVSA-N 1 0 331.460 2.644 20 70 EFIDRO NC(=O)[C@@H]1CCCN1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000159411601 283321020 /nfs/dbraw/zinc/32/10/20/283321020.db2.gz MPMAOTBLSYCQDI-SFHVURJKSA-N 1 0 349.906 2.687 20 70 EFIDRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160365399 239049589 /nfs/dbraw/zinc/04/95/89/239049589.db2.gz XIBHAQRSHSUORD-QFBILLFUSA-N 1 0 338.451 2.994 20 70 EFIDRO COC[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160937648 239059417 /nfs/dbraw/zinc/05/94/17/239059417.db2.gz CUDWQLRLIGYJDA-IRXDYDNUSA-N 1 0 325.497 2.565 20 70 EFIDRO COCCOc1cccc(CC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000161408969 239069359 /nfs/dbraw/zinc/06/93/59/239069359.db2.gz DSAZDKYZXIXKPU-UHFFFAOYSA-N 1 0 348.487 2.635 20 70 EFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000160814158 284053787 /nfs/dbraw/zinc/05/37/87/284053787.db2.gz KSGXSHUYDDNAKK-GDBMZVCRSA-N 1 0 331.464 2.663 20 70 EFIDRO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(-n2cnnn2)cc1 ZINC000160421843 296127516 /nfs/dbraw/zinc/12/75/16/296127516.db2.gz QLFZEHUDCCBYGU-BEFAXECRSA-N 1 0 342.491 2.823 20 70 EFIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000160473855 532956902 /nfs/dbraw/zinc/95/69/02/532956902.db2.gz CIUHCKMAIVFFBX-MRXNPFEDSA-N 1 0 340.423 2.986 20 70 EFIDRO COc1ccc([C@H](C[NH2+][C@@H](C)C(C)C)N2CCOCC2)cc1OC ZINC000160336672 533183319 /nfs/dbraw/zinc/18/33/19/533183319.db2.gz PBESGGZMGDSYHS-RDJZCZTQSA-N 1 0 336.476 2.711 20 70 EFIDRO COc1ccc(C)cc1-n1ccc(C(=O)NCC2([NH3+])CCCCC2)n1 ZINC000159495972 533373612 /nfs/dbraw/zinc/37/36/12/533373612.db2.gz OWGDGOBRXMSFHV-UHFFFAOYSA-N 1 0 342.443 2.581 20 70 EFIDRO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)CCO)CCCC1)c1ccccc1 ZINC000159877889 533327620 /nfs/dbraw/zinc/32/76/20/533327620.db2.gz XKFHREWJYYPSEJ-JKSUJKDBSA-N 1 0 333.476 2.720 20 70 EFIDRO CO[C@@H]1CCN(Cc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000160987711 533416378 /nfs/dbraw/zinc/41/63/78/533416378.db2.gz JWWSOCSZRFFLFK-NWDGAFQWSA-N 1 0 331.229 2.526 20 70 EFIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(-n2cncn2)cc1 ZINC000160119244 533438395 /nfs/dbraw/zinc/43/83/95/533438395.db2.gz LPMVUOAHRUHHEF-DYVFJYSZSA-N 1 0 328.441 2.887 20 70 EFIDRO CSCCCCC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000159915513 533542088 /nfs/dbraw/zinc/54/20/88/533542088.db2.gz DPEWEHRJCRHXMS-UHFFFAOYSA-N 1 0 349.544 2.584 20 70 EFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000159528948 533605253 /nfs/dbraw/zinc/60/52/53/533605253.db2.gz LIDIPZGSBSYMLA-CYBMUJFWSA-N 1 0 337.489 2.999 20 70 EFIDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1OC ZINC000160339716 533607665 /nfs/dbraw/zinc/60/76/65/533607665.db2.gz QWRHDEISDZTBFO-OCCSQVGLSA-N 1 0 330.432 2.578 20 70 EFIDRO COc1cc(C)cc(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000160246846 533635551 /nfs/dbraw/zinc/63/55/51/533635551.db2.gz ZXDMFNQFGCYVPA-MRXNPFEDSA-N 1 0 333.476 2.781 20 70 EFIDRO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)ccc1C(=O)NC(C)C ZINC000159496609 225228923 /nfs/dbraw/zinc/22/89/23/225228923.db2.gz CUPMCXPOLBSHAJ-UHFFFAOYSA-N 1 0 325.412 2.844 20 70 EFIDRO COc1cc(/C=C/C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000159370563 225203028 /nfs/dbraw/zinc/20/30/28/225203028.db2.gz VLPAVAWRMTZLIF-ZEZYUPADSA-N 1 0 344.455 2.708 20 70 EFIDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(F)ccc43)C2=O)n(C)n1 ZINC000159542806 225236258 /nfs/dbraw/zinc/23/62/58/225236258.db2.gz IHTHDNCJNINRHW-SJORKVTESA-N 1 0 342.418 2.640 20 70 EFIDRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000159396090 225209702 /nfs/dbraw/zinc/20/97/02/225209702.db2.gz XFIPZYFOLTZBFD-KRWDZBQOSA-N 1 0 345.487 2.644 20 70 EFIDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc2[nH]cnc21 ZINC000159401056 225210550 /nfs/dbraw/zinc/21/05/50/225210550.db2.gz XWOLSYWLBXWRCS-KRWDZBQOSA-N 1 0 348.450 2.857 20 70 EFIDRO Cc1c(/C=C/C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC000159444007 225218956 /nfs/dbraw/zinc/21/89/56/225218956.db2.gz WJHJIAGQWAMFTG-XLBHYRNJSA-N 1 0 332.492 2.616 20 70 EFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000159468817 225223804 /nfs/dbraw/zinc/22/38/04/225223804.db2.gz NXWQDVDMNCIIAN-IUCAKERBSA-N 1 0 338.757 2.998 20 70 EFIDRO CN(C(=O)C1([NH3+])CCCCC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159747893 225270507 /nfs/dbraw/zinc/27/05/07/225270507.db2.gz SJXIGPXBSRAYBQ-OAHLLOKOSA-N 1 0 349.862 2.565 20 70 EFIDRO COc1ccc([C@@H](CNC(=O)[C@H]2CCCCO2)[NH+]2CCCCC2)cc1 ZINC000159881694 225295051 /nfs/dbraw/zinc/29/50/51/225295051.db2.gz CWFJZPSJBHNRJJ-RTBURBONSA-N 1 0 346.471 2.908 20 70 EFIDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1 ZINC000159901316 225298372 /nfs/dbraw/zinc/29/83/72/225298372.db2.gz CXCLJBFDRDCRGT-UHFFFAOYSA-N 1 0 331.460 2.603 20 70 EFIDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000159903929 225300168 /nfs/dbraw/zinc/30/01/68/225300168.db2.gz RKVPMGRTKFALDV-OXJNMPFZSA-N 1 0 340.467 2.906 20 70 EFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000159664844 225257347 /nfs/dbraw/zinc/25/73/47/225257347.db2.gz XLTOWAIQUMRISW-UHFFFAOYSA-N 1 0 345.443 2.685 20 70 EFIDRO CCOc1ccccc1NC(=O)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000159666603 225257832 /nfs/dbraw/zinc/25/78/32/225257832.db2.gz GNMKPARHSPVOEJ-UHFFFAOYSA-N 1 0 336.432 2.593 20 70 EFIDRO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)c(Br)n1 ZINC000160242594 225370325 /nfs/dbraw/zinc/37/03/25/225370325.db2.gz RKSMFHOZLUEGOD-UHFFFAOYSA-N 1 0 340.265 2.755 20 70 EFIDRO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1OCC1CCOCC1 ZINC000160284858 225379069 /nfs/dbraw/zinc/37/90/69/225379069.db2.gz PCNSCWGFPCLNNK-INIZCTEOSA-N 1 0 332.444 2.881 20 70 EFIDRO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1OCC1CCOCC1 ZINC000160284998 225379716 /nfs/dbraw/zinc/37/97/16/225379716.db2.gz PCNSCWGFPCLNNK-MRXNPFEDSA-N 1 0 332.444 2.881 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)N(C)CCOCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160337647 225391088 /nfs/dbraw/zinc/39/10/88/225391088.db2.gz HRTJJGPBXPMPAF-QFBILLFUSA-N 1 0 345.487 2.717 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000160388374 225403095 /nfs/dbraw/zinc/40/30/95/225403095.db2.gz HMXSXGYEMWUVIV-UXLLHSPISA-N 1 0 332.419 2.765 20 70 EFIDRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1 ZINC000160039920 225324730 /nfs/dbraw/zinc/32/47/30/225324730.db2.gz WQZJIAYHCXYHGL-UHFFFAOYSA-N 1 0 331.460 2.713 20 70 EFIDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000160059919 225328683 /nfs/dbraw/zinc/32/86/83/225328683.db2.gz BDVAHZHNXCJPBJ-QFBILLFUSA-N 1 0 338.455 2.886 20 70 EFIDRO O=S(=O)(CCc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160144904 225347647 /nfs/dbraw/zinc/34/76/47/225347647.db2.gz YESIMZZKCINJGX-SFHVURJKSA-N 1 0 336.501 2.509 20 70 EFIDRO C[NH+](C)Cc1ccccc1CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160178880 225355236 /nfs/dbraw/zinc/35/52/36/225355236.db2.gz ADVBVAOCMSKKMA-INIZCTEOSA-N 1 0 345.468 2.986 20 70 EFIDRO CO[C@H]1CCN(Cc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000160987827 225520948 /nfs/dbraw/zinc/52/09/48/225520948.db2.gz JWWSOCSZRFFLFK-RYUDHWBXSA-N 1 0 331.229 2.526 20 70 EFIDRO Cc1nccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000159879713 544799024 /nfs/dbraw/zinc/79/90/24/544799024.db2.gz ZYNSKWXTSLMQSL-TXEJJXNPSA-N 1 0 340.855 2.664 20 70 EFIDRO C[C@H](NC(=O)Nc1ccccc1OC(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000159813942 544799501 /nfs/dbraw/zinc/79/95/01/544799501.db2.gz FHXVEWMXOGCYRL-BBRMVZONSA-N 1 0 335.448 2.705 20 70 EFIDRO C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)N1CCc2ccccc21 ZINC000159899929 544799702 /nfs/dbraw/zinc/79/97/02/544799702.db2.gz CUSSGVIXXKVFBF-CVEARBPZSA-N 1 0 348.454 2.764 20 70 EFIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159869583 544799935 /nfs/dbraw/zinc/79/99/35/544799935.db2.gz OOEFYOSIDZTSGI-HOTGVXAUSA-N 1 0 327.453 2.904 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](OC)c2ccccc2Cl)CC1 ZINC000160001358 544800424 /nfs/dbraw/zinc/80/04/24/544800424.db2.gz ZKUOSOYSQSMSAY-MRXNPFEDSA-N 1 0 339.867 2.765 20 70 EFIDRO CN(C)c1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cn1 ZINC000160231151 544803743 /nfs/dbraw/zinc/80/37/43/544803743.db2.gz JKRWDKDJWHCLMJ-GOSISDBHSA-N 1 0 338.455 2.601 20 70 EFIDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000160667387 544807616 /nfs/dbraw/zinc/80/76/16/544807616.db2.gz IHPYVRSWKNLUDN-HNAYVOBHSA-N 1 0 337.427 2.827 20 70 EFIDRO CC(C)CCn1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000161020459 544810139 /nfs/dbraw/zinc/81/01/39/544810139.db2.gz IPFQFQVBODMELM-UHFFFAOYSA-N 1 0 342.447 2.678 20 70 EFIDRO O=C1CCCN1C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161305760 544812770 /nfs/dbraw/zinc/81/27/70/544812770.db2.gz OZFLDDLQJVUWQE-SFHVURJKSA-N 1 0 344.455 2.625 20 70 EFIDRO Cc1ccc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000161382755 544813472 /nfs/dbraw/zinc/81/34/72/544813472.db2.gz PQCYYWYFWODLEL-UHFFFAOYSA-N 1 0 328.416 2.652 20 70 EFIDRO CS(=O)(=O)CCCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000161481775 544814912 /nfs/dbraw/zinc/81/49/12/544814912.db2.gz XBBXKIIPFUKNFH-UHFFFAOYSA-N 1 0 327.465 2.905 20 70 EFIDRO CC[NH+]1CCC(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000160752359 264740890 /nfs/dbraw/zinc/74/08/90/264740890.db2.gz GKPVPWVXGFODNY-SFHVURJKSA-N 1 0 330.476 2.757 20 70 EFIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160378588 273022087 /nfs/dbraw/zinc/02/20/87/273022087.db2.gz YGJIRFRYJFTTIT-BZSNNMDCSA-N 1 0 335.492 2.604 20 70 EFIDRO Fc1ccc(N2CC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161360336 274911967 /nfs/dbraw/zinc/91/19/67/274911967.db2.gz CVKFURWHDPWGLI-OAHLLOKOSA-N 1 0 334.435 2.927 20 70 EFIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000161305893 275779258 /nfs/dbraw/zinc/77/92/58/275779258.db2.gz NAGOAEWXKNXFDO-UHFFFAOYSA-N 1 0 344.503 2.855 20 70 EFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NCC(C)C ZINC000160018157 276341786 /nfs/dbraw/zinc/34/17/86/276341786.db2.gz BCVYISZPBWRKKE-KRWDZBQOSA-N 1 0 346.519 2.781 20 70 EFIDRO CCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C[NH3+])cs2)cc1 ZINC000160138900 276371863 /nfs/dbraw/zinc/37/18/63/276371863.db2.gz SWIMLMORPLGIBO-ZDUSSCGKSA-N 1 0 331.441 2.772 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1ccc(Br)cc1 ZINC000161324119 277276779 /nfs/dbraw/zinc/27/67/79/277276779.db2.gz RWVZNQKLWUEAJH-AWEZNQCLSA-N 1 0 325.250 2.592 20 70 EFIDRO COC[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000160843099 277587311 /nfs/dbraw/zinc/58/73/11/277587311.db2.gz PXERMEGIPJZCSJ-UWVGGRQHSA-N 1 0 330.222 2.906 20 70 EFIDRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])CC1=O ZINC000160246888 280803833 /nfs/dbraw/zinc/80/38/33/280803833.db2.gz HNTDXLYOLYYWTJ-ARFHVFGLSA-N 1 0 343.471 2.503 20 70 EFIDRO Cn1ncc2c1CCC[C@H]2[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160785835 294558854 /nfs/dbraw/zinc/55/88/54/294558854.db2.gz ZXQCNTUHIKMVEU-QZTJIDSGSA-N 1 0 338.455 2.751 20 70 EFIDRO CC(C)N(CCc1nccs1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159519068 310687883 /nfs/dbraw/zinc/68/78/83/310687883.db2.gz DMRXDQDNQWKIFE-GJZGRUSLSA-N 1 0 338.521 2.978 20 70 EFIDRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCN1CC(F)(F)F ZINC000159537193 310688210 /nfs/dbraw/zinc/68/82/10/310688210.db2.gz HEJADSCJNABSSK-ZIAGYGMSSA-N 1 0 330.325 2.956 20 70 EFIDRO CCOCCC1(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000159683764 310690255 /nfs/dbraw/zinc/69/02/55/310690255.db2.gz SDNBYLPTIFCMAM-MRXNPFEDSA-N 1 0 325.497 2.614 20 70 EFIDRO CO[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccccc1 ZINC000159935253 310693194 /nfs/dbraw/zinc/69/31/94/310693194.db2.gz ZLRGTXJSHLESBO-SFHVURJKSA-N 1 0 333.476 2.890 20 70 EFIDRO CN(C(=O)CN1CC[NH+](CCC2CCCC2)CC1)C1CCCCC1 ZINC000160515340 310699931 /nfs/dbraw/zinc/69/99/31/310699931.db2.gz MAWLOCXIRQORRT-UHFFFAOYSA-N 1 0 335.536 2.975 20 70 EFIDRO CC(C)(CNS(=O)(=O)Cc1c(F)cccc1F)[NH+]1CCCCC1 ZINC000160535089 310700092 /nfs/dbraw/zinc/70/00/92/310700092.db2.gz MZJNFZHZUKBWQT-UHFFFAOYSA-N 1 0 346.443 2.649 20 70 EFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000161116521 310706309 /nfs/dbraw/zinc/70/63/09/310706309.db2.gz NGANSPAOLLGRKI-CYBMUJFWSA-N 1 0 347.436 2.712 20 70 EFIDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000161121020 473209233 /nfs/dbraw/zinc/20/92/33/473209233.db2.gz OGTLUEFSKMWOLR-LBPRGKRZSA-N 1 0 337.261 2.972 20 70 EFIDRO C[N@H+](CCCNC(=O)NCc1ccccc1CO)Cc1ccccc1 ZINC000161122273 473209454 /nfs/dbraw/zinc/20/94/54/473209454.db2.gz HNJKCDZYQMZYMM-UHFFFAOYSA-N 1 0 341.455 2.500 20 70 EFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCO[C@H](c2cccs2)C1 ZINC000161126403 473210360 /nfs/dbraw/zinc/21/03/60/473210360.db2.gz MLSZUHLVJCXOAC-ZBFHGGJFSA-N 1 0 349.500 2.848 20 70 EFIDRO COC[C@@H](NC(=O)CC[NH2+]C(C)C)c1cccc(C(F)(F)F)c1 ZINC000161144510 473210898 /nfs/dbraw/zinc/21/08/98/473210898.db2.gz RCDICBFCWSAMBL-CQSZACIVSA-N 1 0 332.366 2.897 20 70 EFIDRO CCN(C(=O)NCC1(OC)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161167173 473213761 /nfs/dbraw/zinc/21/37/61/473213761.db2.gz SWYMUZVTKMVGBC-GOSISDBHSA-N 1 0 345.487 2.862 20 70 EFIDRO Cc1ccc(C(=O)CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000161179203 473215359 /nfs/dbraw/zinc/21/53/59/473215359.db2.gz YEGWRXTVQGQPBZ-UHFFFAOYSA-N 1 0 331.504 2.526 20 70 EFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000161215028 473218324 /nfs/dbraw/zinc/21/83/24/473218324.db2.gz ZNERCVGNGMUHAU-CHWSQXEVSA-N 1 0 332.473 2.568 20 70 EFIDRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000161227128 473218879 /nfs/dbraw/zinc/21/88/79/473218879.db2.gz HHZKAMYHUQOUQD-GWCFXTLKSA-N 1 0 341.249 2.729 20 70 EFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2OC)n1 ZINC000161231195 473219119 /nfs/dbraw/zinc/21/91/19/473219119.db2.gz YMEQTRZDMJUNFK-LBPRGKRZSA-N 1 0 331.441 2.643 20 70 EFIDRO C[C@H](C(=O)NC1CC1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161235138 473219536 /nfs/dbraw/zinc/21/95/36/473219536.db2.gz GGBLMJDPYPODJK-CQSZACIVSA-N 1 0 326.444 2.608 20 70 EFIDRO CC[NH+]1CCC(N(C)C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000161234277 473219622 /nfs/dbraw/zinc/21/96/22/473219622.db2.gz WTVWITWJOVYMMT-UHFFFAOYSA-N 1 0 342.443 2.642 20 70 EFIDRO CCN(C(=O)NCCOC(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161242717 473220253 /nfs/dbraw/zinc/22/02/53/473220253.db2.gz GHZSOEFXIUPCLJ-SFHVURJKSA-N 1 0 333.476 2.717 20 70 EFIDRO CCN(C(=O)NCCOC(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161242602 473220340 /nfs/dbraw/zinc/22/03/40/473220340.db2.gz GHZSOEFXIUPCLJ-GOSISDBHSA-N 1 0 333.476 2.717 20 70 EFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000161250922 473220443 /nfs/dbraw/zinc/22/04/43/473220443.db2.gz XLYQIKZZCQEXPO-QGZVFWFLSA-N 1 0 348.487 2.934 20 70 EFIDRO C[C@@H]([NH3+])C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000161261374 473222065 /nfs/dbraw/zinc/22/20/65/473222065.db2.gz AQEUBYSZOUJAJI-PIGZYNQJSA-N 1 0 346.814 2.664 20 70 EFIDRO C[C@H]([NH3+])C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000161260951 473222124 /nfs/dbraw/zinc/22/21/24/473222124.db2.gz AQEUBYSZOUJAJI-GTNSWQLSSA-N 1 0 346.814 2.664 20 70 EFIDRO CCCCNC(=O)c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161286274 473223631 /nfs/dbraw/zinc/22/36/31/473223631.db2.gz NSCCUOMCGRUYML-UHFFFAOYSA-N 1 0 346.471 2.992 20 70 EFIDRO Cc1nn(C)cc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000161288364 473223756 /nfs/dbraw/zinc/22/37/56/473223756.db2.gz XPPQSNNWKJKKIV-SFHVURJKSA-N 1 0 348.878 2.545 20 70 EFIDRO CC(C)COC(=O)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161313165 473225415 /nfs/dbraw/zinc/22/54/15/473225415.db2.gz AEAVAAQZZCFRSG-UHFFFAOYSA-N 1 0 325.497 2.663 20 70 EFIDRO C[C@H](C(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@@H]([NH3+])c1ccccc1 ZINC000161331132 473227814 /nfs/dbraw/zinc/22/78/14/473227814.db2.gz DTWLTQDIPVMYMG-YVEFUNNKSA-N 1 0 328.416 2.578 20 70 EFIDRO O=C(COc1ccc2c(c1)CCCC2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161342112 473227979 /nfs/dbraw/zinc/22/79/79/473227979.db2.gz XDBJWMFGEIBOBY-GOSISDBHSA-N 1 0 328.456 2.641 20 70 EFIDRO C[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000161348836 473228289 /nfs/dbraw/zinc/22/82/89/473228289.db2.gz LUTOSJDKLNHRPN-NSHDSACASA-N 1 0 325.250 2.724 20 70 EFIDRO O=C(N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCn2ccnc2C1 ZINC000161413108 473233786 /nfs/dbraw/zinc/23/37/86/473233786.db2.gz DIXZZPVLUJRDAP-GDBMZVCRSA-N 1 0 338.436 2.808 20 70 EFIDRO COCCC1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000161370928 473230547 /nfs/dbraw/zinc/23/05/47/473230547.db2.gz GVWWTRKHZZZEIP-UHFFFAOYSA-N 1 0 344.499 2.970 20 70 EFIDRO CCCOc1cccc(CC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000161372819 473230898 /nfs/dbraw/zinc/23/08/98/473230898.db2.gz JYXJYEJZJIXODA-CALCHBBNSA-N 1 0 348.487 2.633 20 70 EFIDRO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161401884 473232381 /nfs/dbraw/zinc/23/23/81/473232381.db2.gz DEELYYVCYGWUSB-KRWDZBQOSA-N 1 0 348.454 2.790 20 70 EFIDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)ncn1)c1cccc(OC)c1 ZINC000161406908 473232685 /nfs/dbraw/zinc/23/26/85/473232685.db2.gz PMZXMKQFXWOWIP-SFHVURJKSA-N 1 0 342.443 2.607 20 70 EFIDRO CCC[N@@H+](Cc1cc(C(N)=O)cs1)C[C@H]1COc2ccccc2O1 ZINC000161427360 473234656 /nfs/dbraw/zinc/23/46/56/473234656.db2.gz WQCWRRFRLNDNHC-AWEZNQCLSA-N 1 0 346.452 2.899 20 70 EFIDRO CC(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000161476142 473238030 /nfs/dbraw/zinc/23/80/30/473238030.db2.gz JPFAGUHNAJVJRS-IFXJQAMLSA-N 1 0 334.460 2.905 20 70 EFIDRO COc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1Cn1cccn1 ZINC000161506327 473240788 /nfs/dbraw/zinc/24/07/88/473240788.db2.gz NEVAGKRTQMYCOD-HNNXBMFYSA-N 1 0 328.460 2.685 20 70 EFIDRO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CC[C@H](CC)C3)nc(N)c21 ZINC000161509709 473240854 /nfs/dbraw/zinc/24/08/54/473240854.db2.gz CLHJBYJKKGRWKT-NSHDSACASA-N 1 0 332.404 2.522 20 70 EFIDRO CC(C)[NH+](CCCNC(=O)N(C)[C@@H]1CCCc2c1cnn2C)C(C)C ZINC000159364777 473021955 /nfs/dbraw/zinc/02/19/55/473021955.db2.gz NYBDGCZDGPXGPT-QGZVFWFLSA-N 1 0 349.523 2.948 20 70 EFIDRO C[C@H](c1cccc(Cl)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159365399 473022101 /nfs/dbraw/zinc/02/21/01/473022101.db2.gz GKHRIWUQVPEZQL-CXAGYDPISA-N 1 0 335.879 2.815 20 70 EFIDRO CC(C)[C@H](O)C(C)(C)CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159386433 473023418 /nfs/dbraw/zinc/02/34/18/473023418.db2.gz SEBNRRYMGWBNBO-INIZCTEOSA-N 1 0 329.529 2.838 20 70 EFIDRO CC1(C(=O)NC[C@@H]2CCC[C@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000159399817 473024666 /nfs/dbraw/zinc/02/46/66/473024666.db2.gz BKNATEUOWHHBOR-MOPGFXCFSA-N 1 0 344.499 2.956 20 70 EFIDRO CCC(CC)(CC)CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000159403771 473025541 /nfs/dbraw/zinc/02/55/41/473025541.db2.gz UHPPFCLECKUVEQ-UHFFFAOYSA-N 1 0 325.497 2.709 20 70 EFIDRO CCC(CC)c1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)on1 ZINC000159418119 473027065 /nfs/dbraw/zinc/02/70/65/473027065.db2.gz WHHINBRRWKRSLF-KBPBESRZSA-N 1 0 337.464 2.807 20 70 EFIDRO CCC(CC)c1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)on1 ZINC000159417989 473027321 /nfs/dbraw/zinc/02/73/21/473027321.db2.gz WHHINBRRWKRSLF-ZIAGYGMSSA-N 1 0 337.464 2.807 20 70 EFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159460123 473030279 /nfs/dbraw/zinc/03/02/79/473030279.db2.gz BLKMLZPOQOKEFF-QGZVFWFLSA-N 1 0 347.507 2.953 20 70 EFIDRO C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159455126 473030374 /nfs/dbraw/zinc/03/03/74/473030374.db2.gz BDMGHENSBXNNAW-MSOLQXFVSA-N 1 0 343.475 2.603 20 70 EFIDRO COC[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000159537142 473036593 /nfs/dbraw/zinc/03/65/93/473036593.db2.gz YCAVCUMTSCQORT-OAHLLOKOSA-N 1 0 344.377 2.995 20 70 EFIDRO Cn1c(Sc2nc(C(C)(C)C)ns2)nnc1[C@H]1CCC[NH2+]C1 ZINC000159538696 473037438 /nfs/dbraw/zinc/03/74/38/473037438.db2.gz CPACCKJLFSVKAT-VIFPVBQESA-N 1 0 338.506 2.582 20 70 EFIDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000159560794 473038224 /nfs/dbraw/zinc/03/82/24/473038224.db2.gz CTXKKAXTCMIGQM-UHFFFAOYSA-N 1 0 326.444 2.990 20 70 EFIDRO CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000159561731 473038562 /nfs/dbraw/zinc/03/85/62/473038562.db2.gz PLNHZMQZMRRMPC-SMDDNHRTSA-N 1 0 330.350 2.603 20 70 EFIDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccncc2Br)cc1 ZINC000159560395 473038688 /nfs/dbraw/zinc/03/86/88/473038688.db2.gz BWGFSTDWYOFKOZ-UHFFFAOYSA-N 1 0 348.244 2.836 20 70 EFIDRO CCc1nn(C)c(CC)c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000159581992 473041435 /nfs/dbraw/zinc/04/14/35/473041435.db2.gz ZMDUJGJRLIEVRH-UHFFFAOYSA-N 1 0 348.535 2.670 20 70 EFIDRO Cc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)sc1Br ZINC000159594868 473042177 /nfs/dbraw/zinc/04/21/77/473042177.db2.gz GUXTXRRMIFNVOW-UWVGGRQHSA-N 1 0 331.279 2.905 20 70 EFIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)N(C)C ZINC000159600083 473043118 /nfs/dbraw/zinc/04/31/18/473043118.db2.gz WAUFWUMHYCSNKP-LBPRGKRZSA-N 1 0 343.265 2.627 20 70 EFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(C(=O)NC2CC2)c1 ZINC000159593223 473043173 /nfs/dbraw/zinc/04/31/73/473043173.db2.gz UQTODJPENMYSPL-KSSFIOAISA-N 1 0 341.455 2.782 20 70 EFIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159615487 473044023 /nfs/dbraw/zinc/04/40/23/473044023.db2.gz POIHBPXQJBKAPF-NSHDSACASA-N 1 0 343.313 2.933 20 70 EFIDRO CCC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2)CC[N@@H+]1CCOC ZINC000159647343 473047996 /nfs/dbraw/zinc/04/79/96/473047996.db2.gz VQLPLEVIHKLAMC-FUHWJXTLSA-N 1 0 333.476 2.890 20 70 EFIDRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000159663928 473050323 /nfs/dbraw/zinc/05/03/23/473050323.db2.gz GJZDSFDBCDDUQQ-MSOLQXFVSA-N 1 0 331.460 2.548 20 70 EFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000159684360 473051191 /nfs/dbraw/zinc/05/11/91/473051191.db2.gz COKILFUWYVAOJS-KBPBESRZSA-N 1 0 336.480 2.816 20 70 EFIDRO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1OC ZINC000159675429 473051435 /nfs/dbraw/zinc/05/14/35/473051435.db2.gz MBWYUHCUTAAOTP-IRXDYDNUSA-N 1 0 346.471 2.627 20 70 EFIDRO COc1ccc2c(c1)OC[C@H](C(=O)NCC[NH2+]C1CCCCCC1)C2 ZINC000159705535 473052313 /nfs/dbraw/zinc/05/23/13/473052313.db2.gz DJOTVEKLKFYICM-MRXNPFEDSA-N 1 0 346.471 2.675 20 70 EFIDRO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OCC(C)C ZINC000159719678 473055373 /nfs/dbraw/zinc/05/53/73/473055373.db2.gz QIAFFWDRDTXJGM-UHFFFAOYSA-N 1 0 334.460 2.817 20 70 EFIDRO Cc1ncc(CN2CCN(C(=O)[C@H](C)c3ccsc3)CC2)s1 ZINC000159743836 473056970 /nfs/dbraw/zinc/05/69/70/473056970.db2.gz YJXDKKWDJKLHNM-GFCCVEGCSA-N 1 0 335.498 2.961 20 70 EFIDRO CCOCCC1(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159747625 473058426 /nfs/dbraw/zinc/05/84/26/473058426.db2.gz KHIJXBUSDPHYCZ-JKSUJKDBSA-N 1 0 325.497 2.613 20 70 EFIDRO CC(C)Oc1cc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccn1 ZINC000159783744 473060234 /nfs/dbraw/zinc/06/02/34/473060234.db2.gz AMBUSFAEGRDTQE-INIZCTEOSA-N 1 0 348.491 2.788 20 70 EFIDRO CC(C)(C)c1nsc(N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000159785738 473060761 /nfs/dbraw/zinc/06/07/61/473060761.db2.gz VDLVFXDNHKVODI-UHFFFAOYSA-N 1 0 338.521 2.917 20 70 EFIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159808949 473062841 /nfs/dbraw/zinc/06/28/41/473062841.db2.gz WCUZOECESZXZAZ-XKQJLSEDSA-N 1 0 336.863 2.928 20 70 EFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCC(C)CC1 ZINC000159847438 473065530 /nfs/dbraw/zinc/06/55/30/473065530.db2.gz KDSWYKSKKFULRK-HZPDHXFCSA-N 1 0 341.459 2.565 20 70 EFIDRO C[C@@H](CNC(=O)CCCc1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C)C1 ZINC000159873847 473068933 /nfs/dbraw/zinc/06/89/33/473068933.db2.gz ZHTMNHPVQQASFO-KBPBESRZSA-N 1 0 334.464 2.506 20 70 EFIDRO O=C(c1sccc1OC(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159881459 473069239 /nfs/dbraw/zinc/06/92/39/473069239.db2.gz DTOVCVPMHRSSGD-UHFFFAOYSA-N 1 0 330.400 2.954 20 70 EFIDRO O[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)CN1CCc2ccccc2C1 ZINC000159951772 473075549 /nfs/dbraw/zinc/07/55/49/473075549.db2.gz DFGXLCYMNVJGOA-KRWDZBQOSA-N 1 0 348.849 2.988 20 70 EFIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCN2C(=O)c3ccccc3C2=O)n1 ZINC000159968968 473077420 /nfs/dbraw/zinc/07/74/20/473077420.db2.gz HSXNIBJIIBRFFW-GOSISDBHSA-N 1 0 335.407 2.823 20 70 EFIDRO C[C@@H]1C[C@H](NC(=O)NCCOc2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000159999444 473080005 /nfs/dbraw/zinc/08/00/05/473080005.db2.gz WEQVMZZNBJZZLC-OLZOCXBDSA-N 1 0 337.851 2.643 20 70 EFIDRO CN(C[C@@H]1CCC[N@H+](CCOCC2CC2)C1)C(=O)OC(C)(C)C ZINC000160022180 473081184 /nfs/dbraw/zinc/08/11/84/473081184.db2.gz NSKIFQFWBVLUEB-INIZCTEOSA-N 1 0 326.481 2.992 20 70 EFIDRO CCCCCN(CCO)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160052487 473083417 /nfs/dbraw/zinc/08/34/17/473083417.db2.gz QXTJJWWMIDGCCW-PKOBYXMFSA-N 1 0 347.503 2.844 20 70 EFIDRO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3OCC[C@H]3C)CC2)cc1 ZINC000160097810 473087259 /nfs/dbraw/zinc/08/72/59/473087259.db2.gz RZPJPJRLZGGBLR-APWZRJJASA-N 1 0 330.472 2.748 20 70 EFIDRO O=S(=O)(Cc1cccc(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160106325 473088583 /nfs/dbraw/zinc/08/85/83/473088583.db2.gz YMCWKWZWWJEUQX-KRWDZBQOSA-N 1 0 340.464 2.606 20 70 EFIDRO CCC[C@H]1CN(c2nc(C(C)(C)C)ns2)CC[N@@H+]1CCOC ZINC000160170494 473093332 /nfs/dbraw/zinc/09/33/32/473093332.db2.gz LENRVFSAHTZHNW-ZDUSSCGKSA-N 1 0 326.510 2.773 20 70 EFIDRO CC[C@@H](COC)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000160199603 473096196 /nfs/dbraw/zinc/09/61/96/473096196.db2.gz JUTPKXQUNRRVKD-WBVHZDCISA-N 1 0 333.476 2.936 20 70 EFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160227344 473098108 /nfs/dbraw/zinc/09/81/08/473098108.db2.gz FBXXGEMUJYRKFH-FUHWJXTLSA-N 1 0 345.443 2.556 20 70 EFIDRO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160303384 473105094 /nfs/dbraw/zinc/10/50/94/473105094.db2.gz QHNNHJIQRMXMHS-BQFCYCMXSA-N 1 0 333.476 2.672 20 70 EFIDRO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160322677 473108932 /nfs/dbraw/zinc/10/89/32/473108932.db2.gz BWRPNGVWVWMRLO-DLBZAZTESA-N 1 0 325.497 2.707 20 70 EFIDRO CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)[C@@H]1CCOC1 ZINC000160358061 473111973 /nfs/dbraw/zinc/11/19/73/473111973.db2.gz UHERDZGALWAINW-RTWAWAEBSA-N 1 0 345.531 2.729 20 70 EFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160369288 473114521 /nfs/dbraw/zinc/11/45/21/473114521.db2.gz BGFVUTIGEGZAKJ-GFCCVEGCSA-N 1 0 345.365 2.627 20 70 EFIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160416834 473121270 /nfs/dbraw/zinc/12/12/70/473121270.db2.gz BQHVEMXYEJUSHV-UHFFFAOYSA-N 1 0 349.434 2.831 20 70 EFIDRO CCc1c(C(=O)NCC([NH3+])(CC)CC)nnn1-c1cccc(Cl)c1 ZINC000160426511 473122234 /nfs/dbraw/zinc/12/22/34/473122234.db2.gz ZDBULFVUAVWGIA-UHFFFAOYSA-N 1 0 349.866 2.730 20 70 EFIDRO O=C(NCCC[NH+]1CCCCCC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160425890 473122496 /nfs/dbraw/zinc/12/24/96/473122496.db2.gz GRXQTSWHCRPWQK-UHFFFAOYSA-N 1 0 347.385 2.833 20 70 EFIDRO Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160443788 473125233 /nfs/dbraw/zinc/12/52/33/473125233.db2.gz DDSSRDVLXOMLNC-FWEDTRJPSA-N 1 0 342.483 2.892 20 70 EFIDRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCC([NH3+])(CC)CC ZINC000160439152 473125847 /nfs/dbraw/zinc/12/58/47/473125847.db2.gz LACUFYBDQQIRDO-ZDUSSCGKSA-N 1 0 331.464 2.958 20 70 EFIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160457077 473127681 /nfs/dbraw/zinc/12/76/81/473127681.db2.gz PIRORZNEIOCCJQ-LBPRGKRZSA-N 1 0 347.385 2.784 20 70 EFIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160460164 473128504 /nfs/dbraw/zinc/12/85/04/473128504.db2.gz WHEFHMMDQIODPD-HOTGVXAUSA-N 1 0 345.487 2.675 20 70 EFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1(CCOC)CCC1 ZINC000160472614 473130335 /nfs/dbraw/zinc/13/03/35/473130335.db2.gz HVVGLUFFGSHMEI-MRXNPFEDSA-N 1 0 325.497 2.757 20 70 EFIDRO CCC[N@H+](Cc1ccccc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000160478739 473131631 /nfs/dbraw/zinc/13/16/31/473131631.db2.gz KEULPCYLONOVBS-UHFFFAOYSA-N 1 0 339.487 2.641 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1ccccc1Br ZINC000160498953 473133535 /nfs/dbraw/zinc/13/35/35/473133535.db2.gz XUKQAZYMOQXVFN-NSHDSACASA-N 1 0 343.265 2.850 20 70 EFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000160498834 473133912 /nfs/dbraw/zinc/13/39/12/473133912.db2.gz XUKQAZYMOQXVFN-LLVKDONJSA-N 1 0 343.265 2.850 20 70 EFIDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1SC ZINC000160499759 473134212 /nfs/dbraw/zinc/13/42/12/473134212.db2.gz YVCICFJDRSCPLD-SMDDNHRTSA-N 1 0 332.473 2.983 20 70 EFIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160497666 473134513 /nfs/dbraw/zinc/13/45/13/473134513.db2.gz UMEJPGRFGBCKCQ-VXGBXAGGSA-N 1 0 347.385 2.687 20 70 EFIDRO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1C ZINC000160514032 473135757 /nfs/dbraw/zinc/13/57/57/473135757.db2.gz MJXZWKOCINWUBH-MRXNPFEDSA-N 1 0 335.444 2.902 20 70 EFIDRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000160519818 473136287 /nfs/dbraw/zinc/13/62/87/473136287.db2.gz QMGLNIOASDHKHE-JQFCIGGWSA-N 1 0 336.501 2.736 20 70 EFIDRO Cc1cc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)ccc1C(=O)N(C)C ZINC000160518555 473137020 /nfs/dbraw/zinc/13/70/20/473137020.db2.gz KVJRPPAPPHBARU-CYBMUJFWSA-N 1 0 331.460 2.661 20 70 EFIDRO O=C(/C=C/c1ccc(F)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160534638 473138764 /nfs/dbraw/zinc/13/87/64/473138764.db2.gz DUMBZXKDXFIHNZ-PDBZHATLSA-N 1 0 346.446 2.723 20 70 EFIDRO O=C(/C=C/c1ccc(F)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160534897 473139659 /nfs/dbraw/zinc/13/96/59/473139659.db2.gz DUMBZXKDXFIHNZ-KWKDUPADSA-N 1 0 346.446 2.723 20 70 EFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)C1 ZINC000160547204 473141330 /nfs/dbraw/zinc/14/13/30/473141330.db2.gz JPXVDHBWKQCJLE-ZDUSSCGKSA-N 1 0 340.452 2.829 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC000160558900 473142329 /nfs/dbraw/zinc/14/23/29/473142329.db2.gz SMSCFZKIBPMLKG-GOSISDBHSA-N 1 0 326.444 2.723 20 70 EFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1OC(F)F ZINC000160559448 473142547 /nfs/dbraw/zinc/14/25/47/473142547.db2.gz ZPUNJQUNROHPNQ-QMMMGPOBSA-N 1 0 326.265 2.617 20 70 EFIDRO CCC(CC)CNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000160563992 473143455 /nfs/dbraw/zinc/14/34/55/473143455.db2.gz YVVCPOXHWKAMFB-IAGOWNOFSA-N 1 0 338.540 2.623 20 70 EFIDRO CC(C)c1csc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)n1 ZINC000160575751 473144401 /nfs/dbraw/zinc/14/44/01/473144401.db2.gz JCDPWQDZZPTNLB-INIZCTEOSA-N 1 0 339.505 2.676 20 70 EFIDRO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160578663 473144480 /nfs/dbraw/zinc/14/44/80/473144480.db2.gz HSTYTZFIYQVZDC-PMACEKPBSA-N 1 0 344.499 2.734 20 70 EFIDRO Cc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1C ZINC000160578350 473144646 /nfs/dbraw/zinc/14/46/46/473144646.db2.gz PENJUZNKOQBNKB-OALUTQOASA-N 1 0 330.472 2.801 20 70 EFIDRO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160579011 473145001 /nfs/dbraw/zinc/14/50/01/473145001.db2.gz HSTYTZFIYQVZDC-WOJBJXKFSA-N 1 0 344.499 2.734 20 70 EFIDRO CCCc1sc(C(=O)NCC2CC[NH+](CCO)CC2)cc1CC ZINC000160575163 473145146 /nfs/dbraw/zinc/14/51/46/473145146.db2.gz FMDJOEWVZWKTAT-UHFFFAOYSA-N 1 0 338.517 2.697 20 70 EFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1Br ZINC000160583841 473146081 /nfs/dbraw/zinc/14/60/81/473146081.db2.gz KAJJJFARLIALEH-LLVKDONJSA-N 1 0 329.238 2.892 20 70 EFIDRO CC[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)[NH+](C)C ZINC000160583095 473146101 /nfs/dbraw/zinc/14/61/01/473146101.db2.gz PIUGQCTXMJGIOS-OAHLLOKOSA-N 1 0 343.393 2.694 20 70 EFIDRO CCC(=O)Nc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160592530 473147677 /nfs/dbraw/zinc/14/76/77/473147677.db2.gz VUIKERDIVDHVKU-QGZVFWFLSA-N 1 0 331.460 2.885 20 70 EFIDRO C[C@@H]1CCCN(C(=O)C2CCN(CCC[NH+]3CCCCC3)CC2)C1 ZINC000160596667 473148728 /nfs/dbraw/zinc/14/87/28/473148728.db2.gz XVCGLOJYOSJDRJ-GOSISDBHSA-N 1 0 335.536 2.833 20 70 EFIDRO Cc1cc2occ(CC(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2cc1C ZINC000160600130 473149095 /nfs/dbraw/zinc/14/90/95/473149095.db2.gz OIQQCVJTCLMLKC-QGZVFWFLSA-N 1 0 344.455 2.555 20 70 EFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)o1 ZINC000160603301 473149502 /nfs/dbraw/zinc/14/95/02/473149502.db2.gz ROFQQVZMPIYRSY-WMZOPIPTSA-N 1 0 349.475 2.619 20 70 EFIDRO CCOC(=O)C[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000160602288 473149626 /nfs/dbraw/zinc/14/96/26/473149626.db2.gz TZGCFIKPUCNCMN-AWEZNQCLSA-N 1 0 332.444 2.742 20 70 EFIDRO CC(C)CC1(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCC1 ZINC000160614449 473151757 /nfs/dbraw/zinc/15/17/57/473151757.db2.gz YZPRTYIWFYXPNB-RBUKOAKNSA-N 1 0 344.499 2.954 20 70 EFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)C(C)(C)O1 ZINC000160626031 473153759 /nfs/dbraw/zinc/15/37/59/473153759.db2.gz UTOBMXZHRKYZME-GOSISDBHSA-N 1 0 332.488 2.955 20 70 EFIDRO CC[NH+](CC)CCNC(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000160637803 473155222 /nfs/dbraw/zinc/15/52/22/473155222.db2.gz KLUQDQUUTVQDSP-UHFFFAOYSA-N 1 0 329.448 2.560 20 70 EFIDRO Nc1nc(-n2cccn2)cc(N[C@H]2CCO[C@H](c3ccccc3)C2)[nH+]1 ZINC000160660222 473157738 /nfs/dbraw/zinc/15/77/38/473157738.db2.gz JQODSGHNDSMRMD-GJZGRUSLSA-N 1 0 336.399 2.577 20 70 EFIDRO COc1ccccc1CN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000160657766 473157848 /nfs/dbraw/zinc/15/78/48/473157848.db2.gz OSISZMFQVZIJRD-KRWDZBQOSA-N 1 0 343.471 2.854 20 70 EFIDRO CCOC(=O)C[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000160681602 473160260 /nfs/dbraw/zinc/16/02/60/473160260.db2.gz MOORELQHCSSFFT-LBPRGKRZSA-N 1 0 332.400 2.566 20 70 EFIDRO Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000160685834 473160585 /nfs/dbraw/zinc/16/05/85/473160585.db2.gz YEWMUTJWTKDOEE-GOEBONIOSA-N 1 0 348.516 2.955 20 70 EFIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000160712751 473164831 /nfs/dbraw/zinc/16/48/31/473164831.db2.gz ORFKZQWVUWAWAB-IAGOWNOFSA-N 1 0 337.508 2.848 20 70 EFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc(F)cc1)C1CC1 ZINC000160719035 473166115 /nfs/dbraw/zinc/16/61/15/473166115.db2.gz RQEMVVDQPWKGEN-KRWDZBQOSA-N 1 0 331.435 2.984 20 70 EFIDRO CCc1nc2c(s1)[C@@H](N(C)C(=O)NC1CC[NH+](C)CC1)CCC2 ZINC000160715581 473166173 /nfs/dbraw/zinc/16/61/73/473166173.db2.gz SBPDRPKOMHKNDI-AWEZNQCLSA-N 1 0 336.505 2.819 20 70 EFIDRO COc1cc(Br)ccc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000160734686 473168858 /nfs/dbraw/zinc/16/88/58/473168858.db2.gz GRGUBGPCRBAOTP-ZWNOBZJWSA-N 1 0 341.249 2.705 20 70 EFIDRO C[C@H](NCC1([NH+]2CCSCC2)CCCC1)C(=O)OC(C)(C)C ZINC000160746960 473170259 /nfs/dbraw/zinc/17/02/59/473170259.db2.gz SJUYHGMFBFVMQU-AWEZNQCLSA-N 1 0 328.522 2.668 20 70 EFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160759734 473171916 /nfs/dbraw/zinc/17/19/16/473171916.db2.gz ZDOLBFPUCWKNIZ-FUHWJXTLSA-N 1 0 345.487 2.587 20 70 EFIDRO O=C(/C=C/c1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160768326 473172033 /nfs/dbraw/zinc/17/20/33/473172033.db2.gz ZMYXGLFLURTVRZ-MIMFYIINSA-N 1 0 328.456 2.584 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000160766619 473172906 /nfs/dbraw/zinc/17/29/06/473172906.db2.gz JLUAUNZFORPFBH-NEPJUHHUSA-N 1 0 345.424 2.539 20 70 EFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(Cn3cccn3)c2)cc1 ZINC000160780006 473173289 /nfs/dbraw/zinc/17/32/89/473173289.db2.gz FQIBSDMYYRFOOX-UHFFFAOYSA-N 1 0 348.450 2.923 20 70 EFIDRO C[NH+](C)C(C)(C)CNC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000160787390 473175307 /nfs/dbraw/zinc/17/53/07/473175307.db2.gz XGUKFPGUYIHKPT-UHFFFAOYSA-N 1 0 332.366 2.627 20 70 EFIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1NC(=O)CC(C)C ZINC000160808421 473177724 /nfs/dbraw/zinc/17/77/24/473177724.db2.gz HVSUDJSNMPRJAE-HZPDHXFCSA-N 1 0 331.460 2.979 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000160814163 473178078 /nfs/dbraw/zinc/17/80/78/473178078.db2.gz RPKZYMLWKYVDTO-STQMWFEESA-N 1 0 330.350 2.904 20 70 EFIDRO Cc1ccccc1-n1nc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c2c1CCC2 ZINC000160836192 473180963 /nfs/dbraw/zinc/18/09/63/473180963.db2.gz MOGLGCYVTMEVLP-HUUCEWRRSA-N 1 0 338.455 2.669 20 70 EFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000160850887 473183549 /nfs/dbraw/zinc/18/35/49/473183549.db2.gz JVTRUKGUSYJISE-LSDHHAIUSA-N 1 0 346.406 2.585 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000160851028 473183639 /nfs/dbraw/zinc/18/36/39/473183639.db2.gz JVTRUKGUSYJISE-GJZGRUSLSA-N 1 0 346.406 2.585 20 70 EFIDRO O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCC[NH2+]CC1 ZINC000160862138 473184203 /nfs/dbraw/zinc/18/42/03/473184203.db2.gz JDOPRUUNNWHRGN-UHFFFAOYSA-N 1 0 348.859 2.717 20 70 EFIDRO C[C@H](C[NH2+]C1CCN(CC(F)F)CC1)N(C)Cc1ccccc1 ZINC000160867299 473185168 /nfs/dbraw/zinc/18/51/68/473185168.db2.gz QLXJSKDLRCSTLS-OAHLLOKOSA-N 1 0 325.447 2.826 20 70 EFIDRO Cc1ccc(-n2nc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c3c2CCC3)cc1 ZINC000160868240 473185766 /nfs/dbraw/zinc/18/57/66/473185766.db2.gz FFEQCNHJJBQJCL-HUUCEWRRSA-N 1 0 338.455 2.669 20 70 EFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccccc2Br)C1 ZINC000160889347 473187328 /nfs/dbraw/zinc/18/73/28/473187328.db2.gz QFFTWJXXBJBXEV-STQMWFEESA-N 1 0 325.250 2.768 20 70 EFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@H](Nc2ccccc2)C1 ZINC000160912321 473190979 /nfs/dbraw/zinc/19/09/79/473190979.db2.gz YCDBRLGTYRYUAY-ROUUACIJSA-N 1 0 342.487 2.899 20 70 EFIDRO COc1ccc(NC(=O)C(C)(C)[NH3+])cc1NC(=O)C1CCCCC1 ZINC000160920147 473191796 /nfs/dbraw/zinc/19/17/96/473191796.db2.gz CHKBEOWCJLZTEV-UHFFFAOYSA-N 1 0 333.432 2.890 20 70 EFIDRO COC(C[N@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C)OC ZINC000160927304 473191874 /nfs/dbraw/zinc/19/18/74/473191874.db2.gz IGQCRZXODVBGDE-QGZVFWFLSA-N 1 0 347.455 2.909 20 70 EFIDRO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160929355 473191948 /nfs/dbraw/zinc/19/19/48/473191948.db2.gz LUXQZFWMGLYBRJ-DRZSPHRISA-N 1 0 341.249 2.603 20 70 EFIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000160939277 473192544 /nfs/dbraw/zinc/19/25/44/473192544.db2.gz BKBYSVYOYZJTTA-ZDUSSCGKSA-N 1 0 341.249 2.777 20 70 EFIDRO CC[C@@H](C)c1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)on1 ZINC000160942801 473193217 /nfs/dbraw/zinc/19/32/17/473193217.db2.gz WFODWJWVGLSJST-CQSZACIVSA-N 1 0 342.443 2.978 20 70 EFIDRO COc1ccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000160958937 473194678 /nfs/dbraw/zinc/19/46/78/473194678.db2.gz GMTYLHHZDCSGDK-HXUWFJFHSA-N 1 0 338.451 2.922 20 70 EFIDRO Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)cn1 ZINC000160979861 473196327 /nfs/dbraw/zinc/19/63/27/473196327.db2.gz PTHJVQHAZNSGJJ-MSOLQXFVSA-N 1 0 339.439 2.969 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000161000621 473198174 /nfs/dbraw/zinc/19/81/74/473198174.db2.gz LDBUXSGPHOLZQJ-UHFFFAOYSA-N 1 0 331.279 2.972 20 70 EFIDRO COC(=O)c1csc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000161032686 473200797 /nfs/dbraw/zinc/20/07/97/473200797.db2.gz DWRSTMQEOGSSNP-GFCCVEGCSA-N 1 0 339.461 2.634 20 70 EFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000161060067 473202959 /nfs/dbraw/zinc/20/29/59/473202959.db2.gz VLQIHJIKRZGMAH-ZLKJLUDKSA-N 1 0 330.881 2.613 20 70 EFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000161066732 473203303 /nfs/dbraw/zinc/20/33/03/473203303.db2.gz NRCGXHUCUIYDTN-CVEARBPZSA-N 1 0 336.863 2.774 20 70 EFIDRO Cc1cc(-c2noc(CCC(=O)N[C@H]3CCC[C@H]([NH3+])C3)n2)ccc1F ZINC000161061736 473203698 /nfs/dbraw/zinc/20/36/98/473203698.db2.gz BGDXOVQCYFZCST-KBPBESRZSA-N 1 0 346.406 2.503 20 70 EFIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161074789 473204398 /nfs/dbraw/zinc/20/43/98/473204398.db2.gz ZOIYAVSORCFYHC-SNPRPXQTSA-N 1 0 342.480 2.753 20 70 EFIDRO CN(C(=O)c1cnn2c1CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000217046205 474141420 /nfs/dbraw/zinc/14/14/20/474141420.db2.gz OYDIPWSIFCHZBH-KRWDZBQOSA-N 1 0 338.455 2.566 20 70 EFIDRO CC[C@H](C)[N@H+](C)CCNCc1cc2c(c(Br)c1)OCO2 ZINC000217375685 474142676 /nfs/dbraw/zinc/14/26/76/474142676.db2.gz MTZIBIFMJBQMOL-NSHDSACASA-N 1 0 343.265 2.998 20 70 EFIDRO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160365496 533965758 /nfs/dbraw/zinc/96/57/58/533965758.db2.gz XIBHAQRSHSUORD-VQIMIIECSA-N 1 0 338.451 2.994 20 70 EFIDRO C[C@@H](Sc1ccncc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159939483 534020392 /nfs/dbraw/zinc/02/03/92/534020392.db2.gz SMIXZKQDIIGHPE-WBVHZDCISA-N 1 0 341.480 2.953 20 70 EFIDRO COc1ccccc1CC[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159860252 534034894 /nfs/dbraw/zinc/03/48/94/534034894.db2.gz RYDIGLSOCFBYEN-CQSZACIVSA-N 1 0 344.377 2.723 20 70 EFIDRO C[C@@H](CNC(=O)c1cccc(NC(=O)N(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000159875635 534043898 /nfs/dbraw/zinc/04/38/98/534043898.db2.gz LIEQDPKXWSPKTF-CABCVRRESA-N 1 0 346.475 2.630 20 70 EFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000160083130 534092784 /nfs/dbraw/zinc/09/27/84/534092784.db2.gz LPVIENOFVFHKRS-UGSOOPFHSA-N 1 0 348.468 2.971 20 70 EFIDRO C[C@@H]1OCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1C ZINC000159629321 534161665 /nfs/dbraw/zinc/16/16/65/534161665.db2.gz SBWPXNWNDQOUDJ-BQFCYCMXSA-N 1 0 331.460 2.642 20 70 EFIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000159843811 534166225 /nfs/dbraw/zinc/16/62/25/534166225.db2.gz LZEJYCFNHVOYBN-HNAYVOBHSA-N 1 0 328.456 2.556 20 70 EFIDRO O=C(NCCOc1ccccc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159628732 534392125 /nfs/dbraw/zinc/39/21/25/534392125.db2.gz NEVILYFSKWLHFL-CYBMUJFWSA-N 1 0 337.851 2.502 20 70 EFIDRO CC(C)[NH+](CCSCCN1C(=O)NC2(CCCC2)C1=O)C(C)C ZINC000161004983 519650501 /nfs/dbraw/zinc/65/05/01/519650501.db2.gz KQHVYTCBBBJPRD-UHFFFAOYSA-N 1 0 341.521 2.703 20 70 EFIDRO Cc1nsc(N2CCC[N@H+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159856825 534503543 /nfs/dbraw/zinc/50/35/43/534503543.db2.gz XEPPLLNFZUUTHF-UHFFFAOYSA-N 1 0 344.484 2.940 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1Cl ZINC000160283662 534537275 /nfs/dbraw/zinc/53/72/75/534537275.db2.gz IKEHUEJNRUOASQ-GFCCVEGCSA-N 1 0 331.243 2.570 20 70 EFIDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000159790839 521049526 /nfs/dbraw/zinc/04/95/26/521049526.db2.gz PYCXMNRTZYAHEF-AWEZNQCLSA-N 1 0 328.478 2.578 20 70 EFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(s1)CCCCC2 ZINC000160219376 534537021 /nfs/dbraw/zinc/53/70/21/534537021.db2.gz LBTYUUGJTMCMPS-OAHLLOKOSA-N 1 0 336.501 2.594 20 70 EFIDRO CC[N@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000218688761 521217221 /nfs/dbraw/zinc/21/72/21/521217221.db2.gz LWMNWGZBKMCQRW-ZWKOTPCHSA-N 1 0 327.424 2.752 20 70 EFIDRO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000160665683 534608361 /nfs/dbraw/zinc/60/83/61/534608361.db2.gz POVBGEMDJJFFHR-GFCCVEGCSA-N 1 0 337.261 2.972 20 70 EFIDRO [NH3+]CCCNC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000160126636 534616378 /nfs/dbraw/zinc/61/63/78/534616378.db2.gz YTTMSTDJCVVGSG-UHFFFAOYSA-N 1 0 346.275 2.713 20 70 EFIDRO Cc1cncc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000159926232 534673470 /nfs/dbraw/zinc/67/34/70/534673470.db2.gz VKHCYTFSDMJEQM-DKRLNXSXSA-N 1 0 325.412 2.950 20 70 EFIDRO O=C(c1ccc(Cn2ccnc2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159871255 534703981 /nfs/dbraw/zinc/70/39/81/534703981.db2.gz LGBDWQQKHZNZEJ-UHFFFAOYSA-N 1 0 338.455 2.536 20 70 EFIDRO COc1ccc(COCCC[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000161078743 524113511 /nfs/dbraw/zinc/11/35/11/524113511.db2.gz CPBVYUBPTPKRJT-UHFFFAOYSA-N 1 0 342.430 2.921 20 70 EFIDRO COc1ccc([C@@H](C[NH2+][C@@H](C)C2(C)CC2)N2CCOCC2)cc1OC ZINC000160361027 525187186 /nfs/dbraw/zinc/18/71/86/525187186.db2.gz RUUZDSXZJALKMX-DOTOQJQBSA-N 1 0 348.487 2.855 20 70 EFIDRO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3cccc(N(C)C)c3)nc12 ZINC000159761789 534840889 /nfs/dbraw/zinc/84/08/89/534840889.db2.gz RJLVZVIEYIHXIY-UHFFFAOYSA-N 1 0 336.439 2.701 20 70 EFIDRO Cc1nc(CCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)sc1C ZINC000160792026 526818298 /nfs/dbraw/zinc/81/82/98/526818298.db2.gz BFWULWYCSRKXPL-CYBMUJFWSA-N 1 0 338.521 2.866 20 70 EFIDRO [NH3+]CCCOC1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161507595 527182233 /nfs/dbraw/zinc/18/22/33/527182233.db2.gz XXKJABPLRFZOLL-UHFFFAOYSA-N 1 0 345.256 2.918 20 70 EFIDRO CCC[C@@H]1CN(C(=O)Nc2cccnc2Cl)CC[N@@H+]1CCOC ZINC000160005335 527782181 /nfs/dbraw/zinc/78/21/81/527782181.db2.gz AVXXBQBCLPPYIE-CYBMUJFWSA-N 1 0 340.855 2.700 20 70 EFIDRO CCCC(=O)Nc1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161298663 527961166 /nfs/dbraw/zinc/96/11/66/527961166.db2.gz YIONWRINDQEKMR-UHFFFAOYSA-N 1 0 331.460 2.962 20 70 EFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000159874687 528033155 /nfs/dbraw/zinc/03/31/55/528033155.db2.gz JQIIZAFNRRRSJQ-CABCVRRESA-N 1 0 337.533 2.731 20 70 EFIDRO CCN(CC)C(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160069244 528048607 /nfs/dbraw/zinc/04/86/07/528048607.db2.gz ATOAYDZUFRMTAL-QGZVFWFLSA-N 1 0 346.519 2.877 20 70 EFIDRO CC(C)Oc1cc(Br)cc(C(=O)NCC(C)(C)[NH3+])c1 ZINC000160005606 528097642 /nfs/dbraw/zinc/09/76/42/528097642.db2.gz IBOAPLJFKBPOHS-UHFFFAOYSA-N 1 0 329.238 2.703 20 70 EFIDRO CCC[C@H](CCO)CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159926618 528120542 /nfs/dbraw/zinc/12/05/42/528120542.db2.gz JUUQPQZATCEODD-SCTDSRPQSA-N 1 0 347.503 2.747 20 70 EFIDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc(F)n1 ZINC000159664537 528121445 /nfs/dbraw/zinc/12/14/45/528121445.db2.gz NHZIJWUWOSPETN-UHFFFAOYSA-N 1 0 335.345 2.957 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)/C=C/c2cnn(C)c2C)c1 ZINC000160129811 528192889 /nfs/dbraw/zinc/19/28/89/528192889.db2.gz QDTMNCZBALNAOF-ZHACJKMWSA-N 1 0 340.471 2.900 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cnn(C)c2C)c1 ZINC000159905491 528194084 /nfs/dbraw/zinc/19/40/84/528194084.db2.gz ZUAITTVKEOKUCX-UHFFFAOYSA-N 1 0 343.475 2.570 20 70 EFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](O)c2ccccc2)c1 ZINC000159976639 528195287 /nfs/dbraw/zinc/19/52/87/528195287.db2.gz YXXFKBXIFFEHPH-LJQANCHMSA-N 1 0 326.440 2.878 20 70 EFIDRO CC1CC[NH+](CCCCNC(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000159950084 528236858 /nfs/dbraw/zinc/23/68/58/528236858.db2.gz HGPNVNQQWVTJRH-UHFFFAOYSA-N 1 0 341.459 2.509 20 70 EFIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ccccc2Cl)C1 ZINC000159764588 528253179 /nfs/dbraw/zinc/25/31/79/528253179.db2.gz QSDIMHDYYDHZLD-AWEZNQCLSA-N 1 0 339.867 2.750 20 70 EFIDRO CCNC(=O)c1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000160229027 528259774 /nfs/dbraw/zinc/25/97/74/528259774.db2.gz AKVMQDOFMYBMRK-MAUKXSAKSA-N 1 0 338.455 2.764 20 70 EFIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1 ZINC000161060817 528276614 /nfs/dbraw/zinc/27/66/14/528276614.db2.gz BCRLXWJIYVZQDV-VMPITWQZSA-N 1 0 338.455 2.734 20 70 EFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H]1CCN(C(C)C)C1=O ZINC000160024928 528348140 /nfs/dbraw/zinc/34/81/40/528348140.db2.gz RJNYDYFIJXBJTB-SFHVURJKSA-N 1 0 344.503 2.629 20 70 EFIDRO CCOc1ccc(-c2nc(C(=O)N3CC[C@H]([NH2+]C)C3)cs2)cc1 ZINC000160483160 528352529 /nfs/dbraw/zinc/35/25/29/528352529.db2.gz JMGFUHDBSGANIG-ZDUSSCGKSA-N 1 0 331.441 2.643 20 70 EFIDRO CCCCNC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160032813 528536877 /nfs/dbraw/zinc/53/68/77/528536877.db2.gz ZVXHIDCXQLFBRM-KRWDZBQOSA-N 1 0 346.519 2.925 20 70 EFIDRO CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000160111516 528571112 /nfs/dbraw/zinc/57/11/12/528571112.db2.gz RHERJVLXRMPGPF-MRXNPFEDSA-N 1 0 347.503 2.592 20 70 EFIDRO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000160110405 528605948 /nfs/dbraw/zinc/60/59/48/528605948.db2.gz XRONAPJCURZYDP-ZIAGYGMSSA-N 1 0 336.398 2.821 20 70 EFIDRO CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159426453 528641459 /nfs/dbraw/zinc/64/14/59/528641459.db2.gz VHNUCYMMIGWXJP-INIZCTEOSA-N 1 0 345.487 2.672 20 70 EFIDRO CCCCOc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC ZINC000159771855 528652946 /nfs/dbraw/zinc/65/29/46/528652946.db2.gz ICPDJCZFLGHSTC-UHFFFAOYSA-N 1 0 334.460 2.962 20 70 EFIDRO CCOCCN(CC)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160005665 528720840 /nfs/dbraw/zinc/72/08/40/528720840.db2.gz ADUHMLHECHKEIV-WMZOPIPTSA-N 1 0 333.476 2.575 20 70 EFIDRO CCOCCN(CC)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160078227 528721115 /nfs/dbraw/zinc/72/11/15/528721115.db2.gz HWLSHOZBJOKEQE-AEFFLSMTSA-N 1 0 333.476 2.717 20 70 EFIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000159644261 528894015 /nfs/dbraw/zinc/89/40/15/528894015.db2.gz LOOLYRIBGZJIDN-FUHWJXTLSA-N 1 0 335.492 2.523 20 70 EFIDRO CCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000159561091 528970631 /nfs/dbraw/zinc/97/06/31/528970631.db2.gz VVEOIAKFNYCLPP-IUODEOHRSA-N 1 0 344.377 2.993 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCC[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000159907071 529024173 /nfs/dbraw/zinc/02/41/73/529024173.db2.gz TUZGHYCEYIPDIB-MRXNPFEDSA-N 1 0 333.476 2.926 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000159880139 529024897 /nfs/dbraw/zinc/02/48/97/529024897.db2.gz WKRKVZJTZSTYEE-HOTGVXAUSA-N 1 0 325.497 2.565 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)NCCCCOc2ccc(C)cc2)CC1 ZINC000159640280 529025225 /nfs/dbraw/zinc/02/52/25/529025225.db2.gz KXFFUXXZRLUNKK-UHFFFAOYSA-N 1 0 333.476 2.891 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000159993852 529029822 /nfs/dbraw/zinc/02/98/22/529029822.db2.gz RZVGAVCHMXWQEF-AWEZNQCLSA-N 1 0 343.431 2.535 20 70 EFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000159994016 529031061 /nfs/dbraw/zinc/03/10/61/529031061.db2.gz RZVGAVCHMXWQEF-CQSZACIVSA-N 1 0 343.431 2.535 20 70 EFIDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(N(C)C)cc1F)C2 ZINC000159558983 529110983 /nfs/dbraw/zinc/11/09/83/529110983.db2.gz CGBHYIAKMSUKFM-GOEBONIOSA-N 1 0 333.451 2.979 20 70 EFIDRO