smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(N)=O ZINC000716731222 793003735 /nfs/dbraw/zinc/00/37/35/793003735.db2.gz ANUFSWWYGVLOPA-BBWFWOEESA-N 2 0 315.461 2.141 10 0 DEAERP CO[C@@H](C)[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717983308 1081854941 /nfs/dbraw/zinc/85/49/41/1081854941.db2.gz HZBDMEYBSFEPER-SJORKVTESA-N 2 0 320.477 2.417 10 0 DEAERP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711250968 1087035729 /nfs/dbraw/zinc/03/57/29/1087035729.db2.gz OSNPMDRUGFTVEL-DLBZAZTESA-N 2 0 315.461 2.013 10 0 DEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711328034 1087065502 /nfs/dbraw/zinc/06/55/02/1087065502.db2.gz CTOZMLCNYZCOBV-MJGOQNOKSA-N 2 0 315.461 2.109 10 0 DEAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711426597 1087100923 /nfs/dbraw/zinc/10/09/23/1087100923.db2.gz UHQASGMQSFOXRC-SOUVJXGZSA-N 2 0 311.470 2.221 10 0 DEAERP CCCc1nsc(N2CCC[N@H+](CCCCC[NH3+])CC2)n1 ZINC000087639612 185229740 /nfs/dbraw/zinc/22/97/40/185229740.db2.gz QCIDPADIJQBYSI-UHFFFAOYSA-N 2 0 311.499 2.132 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000186753024 539676602 /nfs/dbraw/zinc/67/66/02/539676602.db2.gz NHDBOTHKRXSUQO-INIZCTEOSA-N 2 0 320.481 2.100 10 0 DEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCCOC1 ZINC000236588458 539737733 /nfs/dbraw/zinc/73/77/33/539737733.db2.gz JBJPNSVLZFHECJ-KRWDZBQOSA-N 2 0 304.434 2.430 10 0 DEAERP CC[NH2+][C@@H](Cc1ccc(Cl)cc1)C[C@H]1C[N@H+](C)CCN1C ZINC000149610794 186051601 /nfs/dbraw/zinc/05/16/01/186051601.db2.gz OTDKRTUKDLUZSO-IRXDYDNUSA-N 2 0 309.885 2.497 10 0 DEAERP C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)C1 ZINC000164306685 186155118 /nfs/dbraw/zinc/15/51/18/186155118.db2.gz BVDRAIZYZGQGKE-JTQLQIEISA-N 2 0 300.328 2.130 10 0 DEAERP CC[C@H](CC[NH3+])CCC(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164339137 186156452 /nfs/dbraw/zinc/15/64/52/186156452.db2.gz HYDCMFXCOXIFNE-LBPRGKRZSA-N 2 0 314.861 2.436 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172134851 198045267 /nfs/dbraw/zinc/04/52/67/198045267.db2.gz RWWUXDLBINNTJX-RHSMWYFYSA-N 2 0 316.449 2.449 10 0 DEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173977597 198275258 /nfs/dbraw/zinc/27/52/58/198275258.db2.gz LEHBYUFXTKGFGL-CYBMUJFWSA-N 2 0 315.417 2.271 10 0 DEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000066243140 354705863 /nfs/dbraw/zinc/70/58/63/354705863.db2.gz XPMBXCLYGCPGCJ-HNNXBMFYSA-N 2 0 300.450 2.500 10 0 DEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000262417612 291037920 /nfs/dbraw/zinc/03/79/20/291037920.db2.gz QAZRTBKCMOFIAN-KSZLIROESA-N 2 0 321.509 2.489 10 0 DEAERP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000184601670 356193932 /nfs/dbraw/zinc/19/39/32/356193932.db2.gz UTDCQDQXTYAQNQ-ZBFHGGJFSA-N 2 0 305.466 2.430 10 0 DEAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399548408 283153202 /nfs/dbraw/zinc/15/32/02/283153202.db2.gz BJLQOIJCTRWXBC-VYDXJSESSA-N 2 0 305.466 2.243 10 0 DEAERP CCCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1C[NH2+]C ZINC000092004874 193139277 /nfs/dbraw/zinc/13/92/77/193139277.db2.gz XKEVPUVTKHINFM-OLZOCXBDSA-N 2 0 308.495 2.488 10 0 DEAERP CC[N@H+](CC(C)(C)O)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000092983418 193191406 /nfs/dbraw/zinc/19/14/06/193191406.db2.gz FFFZJYYNFGEULG-QGZVFWFLSA-N 2 0 300.487 2.122 10 0 DEAERP CC1(C)CCC[C@@H](CN2CCN(c3nccs3)CC2)[C@@H]1[NH3+] ZINC000094286289 193356283 /nfs/dbraw/zinc/35/62/83/193356283.db2.gz XCFAAELGNDBANB-KBPBESRZSA-N 2 0 308.495 2.419 10 0 DEAERP CN(C[C@@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334363 193360486 /nfs/dbraw/zinc/36/04/86/193360486.db2.gz ZVOLNFDFMVJNNW-NSHDSACASA-N 2 0 302.344 2.090 10 0 DEAERP CC(C)[C@@H](C[NH2+][C@H]1CSCC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000094488510 193373191 /nfs/dbraw/zinc/37/31/91/193373191.db2.gz FQIDWBBAWQMBNV-HZPDHXFCSA-N 2 0 313.555 2.380 10 0 DEAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000020217641 182198257 /nfs/dbraw/zinc/19/82/57/182198257.db2.gz NEUGXFSBOBFDJN-AWEZNQCLSA-N 2 0 312.255 2.086 10 0 DEAERP NC(=[NH2+])c1ccc(OCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000041068645 183162536 /nfs/dbraw/zinc/16/25/36/183162536.db2.gz KEKYCEJYFPXQBC-UHFFFAOYSA-N 2 0 301.415 2.469 10 0 DEAERP COC(=O)Cc1c(C)[nH+]c2ccccc2c1NCC[NH+](C)C ZINC000041473175 183193024 /nfs/dbraw/zinc/19/30/24/183193024.db2.gz UYTVIHKALNLKBR-UHFFFAOYSA-N 2 0 301.390 2.232 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105125117 194076285 /nfs/dbraw/zinc/07/62/85/194076285.db2.gz KLJFILVKUUMPDJ-HZPDHXFCSA-N 2 0 312.502 2.136 10 0 DEAERP CC[C@H]1CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000110710302 194352848 /nfs/dbraw/zinc/35/28/48/194352848.db2.gz CWERBPYRVFGOIQ-FZMZJTMJSA-N 2 0 301.356 2.130 10 0 DEAERP CC[C@H]([NH3+])[C@H](N1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000062038030 184203180 /nfs/dbraw/zinc/20/31/80/184203180.db2.gz MGGBHQWMDRFMMQ-KBPBESRZSA-N 2 0 307.404 2.462 10 0 DEAERP C[C@@H]([NH3+])Cc1ccc(OCC[NH+](C)C)c(Br)c1 ZINC000062704193 184248839 /nfs/dbraw/zinc/24/88/39/184248839.db2.gz URIMPKUKEUFPDJ-SNVBAGLBSA-N 2 0 301.228 2.279 10 0 DEAERP Cc1cc(NC[C@H](C)C[NH+]2CCCC2)c(C(N)=S)c(C)[nH+]1 ZINC000156675406 197132588 /nfs/dbraw/zinc/13/25/88/197132588.db2.gz AQRKJERKEALMRL-NSHDSACASA-N 2 0 306.479 2.476 10 0 DEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000121030346 195282333 /nfs/dbraw/zinc/28/23/33/195282333.db2.gz QLUXXUBMRHXYLX-OALUTQOASA-N 2 0 321.509 2.070 10 0 DEAERP COc1cc(C[NH3+])cc(Br)c1OCCC[NH+](C)C ZINC000122005799 195388922 /nfs/dbraw/zinc/38/89/22/195388922.db2.gz DFFIMLNPJFVRQX-UHFFFAOYSA-N 2 0 317.227 2.247 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000127893323 195919843 /nfs/dbraw/zinc/91/98/43/195919843.db2.gz MWJPRTXGYJNVPA-NVXWUHKLSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000357407878 133075908 /nfs/dbraw/zinc/07/59/08/133075908.db2.gz FPKYMJNUWMDRDL-QAPCUYQASA-N 2 0 315.461 2.495 10 0 DEAERP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000357407880 133076110 /nfs/dbraw/zinc/07/61/10/133076110.db2.gz FPKYMJNUWMDRDL-YJBOKZPZSA-N 2 0 315.461 2.495 10 0 DEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000359667813 133138109 /nfs/dbraw/zinc/13/81/09/133138109.db2.gz PWKAWYKJCMXOSB-DLBZAZTESA-N 2 0 307.482 2.195 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000247401426 145136226 /nfs/dbraw/zinc/13/62/26/145136226.db2.gz RCEDYLCIHRZSPW-GOEBONIOSA-N 2 0 324.513 2.277 10 0 DEAERP C[C@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000248997006 145175025 /nfs/dbraw/zinc/17/50/25/145175025.db2.gz PFMNHYJJMXRGQQ-DUQJVZAFSA-N 3 0 309.498 2.091 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000249457393 145185071 /nfs/dbraw/zinc/18/50/71/145185071.db2.gz YFOBZLHGKDMQHP-RBUKOAKNSA-N 2 0 323.525 2.030 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261540003 145205905 /nfs/dbraw/zinc/20/59/05/145205905.db2.gz DMRFIDYTYFXQJU-KRWDZBQOSA-N 2 0 303.450 2.096 10 0 DEAERP C[C@@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000261758096 145223516 /nfs/dbraw/zinc/22/35/16/145223516.db2.gz HWCFOCTZXJHOFW-HZTRTUMWSA-N 2 0 301.434 2.036 10 0 DEAERP C[C@@H]([NH3+])CC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000261858358 145234468 /nfs/dbraw/zinc/23/44/68/145234468.db2.gz PLXRHIDIGVAKFD-OLZOCXBDSA-N 2 0 309.841 2.283 10 0 DEAERP O=C(NC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000261981174 145249359 /nfs/dbraw/zinc/24/93/59/145249359.db2.gz RKYNOAFYUFMVRG-HNNXBMFYSA-N 2 0 307.482 2.147 10 0 DEAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262325568 145276686 /nfs/dbraw/zinc/27/66/86/145276686.db2.gz DIMYIHWJMOWNCU-QAETUUGQSA-N 2 0 309.498 2.249 10 0 DEAERP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262411029 145282288 /nfs/dbraw/zinc/28/22/88/145282288.db2.gz DGZMMFMPEIZOPW-UAGQMJEPSA-N 2 0 307.482 2.336 10 0 DEAERP C[C@@H](CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000262455139 145285366 /nfs/dbraw/zinc/28/53/66/145285366.db2.gz VCZQYCVLLNINON-BQFCYCMXSA-N 2 0 317.477 2.401 10 0 DEAERP CC[NH2+]CCCC[NH2+]CCCCC[NH2+]CCCC[NH2+]CC ZINC000013604291 401801298 /nfs/dbraw/zinc/80/12/98/401801298.db2.gz YTONJYQKOZGWBW-UHFFFAOYSA-N 4 0 300.535 2.115 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000127893096 401754623 /nfs/dbraw/zinc/75/46/23/401754623.db2.gz MWJPRTXGYJNVPA-WBVHZDCISA-N 2 0 324.513 2.231 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000112881632 401760556 /nfs/dbraw/zinc/76/05/56/401760556.db2.gz FUVZWEQIFNOUGK-ZWKOTPCHSA-N 2 0 319.493 2.252 10 0 DEAERP CC(C)NC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110102 401783238 /nfs/dbraw/zinc/78/32/38/401783238.db2.gz FAOGQNGHGRYRBV-SFHVURJKSA-N 2 0 317.477 2.355 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113609442 401784032 /nfs/dbraw/zinc/78/40/32/401784032.db2.gz NNEVRYHXLLJCHW-RDJZCZTQSA-N 2 0 322.497 2.129 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116529128 401854252 /nfs/dbraw/zinc/85/42/52/401854252.db2.gz AZOBBVDGQVNCSY-GJZGRUSLSA-N 2 0 314.518 2.382 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000119097291 401925731 /nfs/dbraw/zinc/92/57/31/401925731.db2.gz JLHPBPRCYZJLEY-RDHHWEPZSA-N 2 0 324.513 2.231 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000079689765 401879522 /nfs/dbraw/zinc/87/95/22/401879522.db2.gz LZXRHGIIKKSOQS-HOTGVXAUSA-N 2 0 312.502 2.138 10 0 DEAERP CCC[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000135516345 401943185 /nfs/dbraw/zinc/94/31/85/401943185.db2.gz HXFJGDITFWWHQD-YJBOKZPZSA-N 2 0 317.477 2.280 10 0 DEAERP Cc1noc(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000089518272 401950437 /nfs/dbraw/zinc/95/04/37/401950437.db2.gz YSVGWZJTLTXXAM-ZDUSSCGKSA-N 2 0 318.421 2.212 10 0 DEAERP CCC[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000101991629 402160666 /nfs/dbraw/zinc/16/06/66/402160666.db2.gz SSYSCOZYXYUIQA-QGZVFWFLSA-N 2 0 324.513 2.140 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000186629469 402449073 /nfs/dbraw/zinc/44/90/73/402449073.db2.gz CXFBBAFTKWJXBI-SJORKVTESA-N 2 0 318.465 2.025 10 0 DEAERP CC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245682422 402479435 /nfs/dbraw/zinc/47/94/35/402479435.db2.gz VPICASQSCQVJDY-SJORKVTESA-N 2 0 318.465 2.073 10 0 DEAERP CCC[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000245785979 402487843 /nfs/dbraw/zinc/48/78/43/402487843.db2.gz MWLIBKYMWRRTCP-KBAYOESNSA-N 2 0 317.477 2.496 10 0 DEAERP COC[C@H](C)C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000187686135 402508223 /nfs/dbraw/zinc/50/82/23/402508223.db2.gz WABAGAIQHGZZAI-GOSISDBHSA-N 2 0 319.493 2.461 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000246197580 402518092 /nfs/dbraw/zinc/51/80/92/402518092.db2.gz DPLHDTFAWHGAPA-BZSNNMDCSA-N 2 0 315.461 2.094 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246362034 402527464 /nfs/dbraw/zinc/52/74/64/402527464.db2.gz GQLWYZVXMYHXIL-PMPSAXMXSA-N 2 0 312.502 2.088 10 0 DEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250145296 402645667 /nfs/dbraw/zinc/64/56/67/402645667.db2.gz ZSBNUIDLZVMNGN-BPQIPLTHSA-N 2 0 315.461 2.013 10 0 DEAERP CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000182533659 402697824 /nfs/dbraw/zinc/69/78/24/402697824.db2.gz STMGEKXDADZKKP-DOTOQJQBSA-N 2 0 305.466 2.353 10 0 DEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000261969760 402720687 /nfs/dbraw/zinc/72/06/87/402720687.db2.gz PWWBMCWBSKZWEL-IRXDYDNUSA-N 2 0 309.498 2.474 10 0 DEAERP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccnn1C ZINC000192689519 402744564 /nfs/dbraw/zinc/74/45/64/402744564.db2.gz ZQHNUFFMFCINJQ-CQSZACIVSA-N 2 0 302.422 2.211 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000174757848 402755792 /nfs/dbraw/zinc/75/57/92/402755792.db2.gz MKUKQTHRXAMIHE-DOTOQJQBSA-N 2 0 322.497 2.129 10 0 DEAERP CN1CCN([C@H]2CCCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000174887136 402761789 /nfs/dbraw/zinc/76/17/89/402761789.db2.gz QRBATJVEYARDFY-KRWDZBQOSA-N 2 0 305.441 2.428 10 0 DEAERP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ncn2)C1 ZINC000333576945 403784304 /nfs/dbraw/zinc/78/43/04/403784304.db2.gz SUWFPVDGEMJAQA-UGUYLWEFSA-N 2 0 315.465 2.277 10 0 DEAERP CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309702694 403961745 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310.482 2.426 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262677425 277385602 /nfs/dbraw/zinc/38/56/02/277385602.db2.gz URVVEPZNDXXVJS-UAGQMJEPSA-N 2 0 307.482 2.144 10 0 DEAERP CC[N@H+](CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000107843714 279194232 /nfs/dbraw/zinc/19/42/32/279194232.db2.gz QSDBCKAURUPICC-KRWDZBQOSA-N 2 0 322.497 2.131 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185195360 279325181 /nfs/dbraw/zinc/32/51/81/279325181.db2.gz GYYNUDDHPFBOEF-INIZCTEOSA-N 2 0 324.513 2.234 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(C)(C)C)C2)[nH+]1 ZINC000195516109 281245085 /nfs/dbraw/zinc/24/50/85/281245085.db2.gz BHLCDXQBJRXFCS-AWEZNQCLSA-N 2 0 304.438 2.039 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000398163297 337307725 /nfs/dbraw/zinc/30/77/25/337307725.db2.gz SNDPNIFNMNESEG-AYBZRNKSSA-N 2 0 315.461 2.155 10 0 DEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H](C)[NH3+] ZINC000248873763 521231441 /nfs/dbraw/zinc/23/14/41/521231441.db2.gz PQZYILIFCZXFOY-FUHWJXTLSA-N 2 0 317.477 2.484 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000246260743 521711202 /nfs/dbraw/zinc/71/12/02/521711202.db2.gz LASMEGGLEJSSBE-UCHQMPSGSA-N 2 0 307.482 2.096 10 0 DEAERP C[NH+](C)CCOc1ccccc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000261899103 535912804 /nfs/dbraw/zinc/91/28/04/535912804.db2.gz YJVPTVJMUXCOPY-UHFFFAOYSA-N 2 0 316.405 2.405 10 0 DEAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249862865 536163125 /nfs/dbraw/zinc/16/31/25/536163125.db2.gz GSFDMQXPJKZFEL-BPUTZDHNSA-N 2 0 318.465 2.427 10 0 DEAERP COC[C@@H](C)C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000187820364 684344304 /nfs/dbraw/zinc/34/43/04/684344304.db2.gz GSJLWRLAUWOOJB-QFBILLFUSA-N 2 0 320.477 2.304 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193842082 685050801 /nfs/dbraw/zinc/05/08/01/685050801.db2.gz AQKLAWCUPJBGDU-AWEZNQCLSA-N 2 0 312.502 2.279 10 0 DEAERP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(Br)n1 ZINC000712464130 792190664 /nfs/dbraw/zinc/19/06/64/792190664.db2.gz VWNDETSOUORLMK-UHFFFAOYSA-N 2 0 315.259 2.004 10 0 DEAERP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677604 792983561 /nfs/dbraw/zinc/98/35/61/792983561.db2.gz GPPNEXQFSVDBHP-ZSYWTGECSA-N 2 0 318.461 2.027 10 0 DEAERP C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000711339381 1087067841 /nfs/dbraw/zinc/06/78/41/1087067841.db2.gz LSBSVIGJHBYJLG-SUMDDJOVSA-N 2 0 315.461 2.155 10 0 DEAERP C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000720247714 1089539049 /nfs/dbraw/zinc/53/90/49/1089539049.db2.gz CFBATMNYHJBKBS-SECBINFHSA-N 2 0 304.303 2.478 10 0 DEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000380895735 1144379243 /nfs/dbraw/zinc/37/92/43/1144379243.db2.gz JEHXFLQXPSYDSG-IAGOWNOFSA-N 2 0 303.450 2.142 10 0 DEAERP CC(C)(C)c1nsc(N2CCC[N@H+](CCCC[NH3+])CC2)n1 ZINC000087639583 185229777 /nfs/dbraw/zinc/22/97/77/185229777.db2.gz TYOVDFKKGZATCL-UHFFFAOYSA-N 2 0 311.499 2.087 10 0 DEAERP [NH3+]C[C@@]1(Nc2ccc(Br)cc2)C[NH+]2CCC1CC2 ZINC000087914889 185237298 /nfs/dbraw/zinc/23/72/98/185237298.db2.gz ZCLLWJMXXUKRTL-CQSZACIVSA-N 2 0 310.239 2.284 10 0 DEAERP C[N@@H+]1CC[C@@H](Cn2c(N)[nH+]c3ccc(Br)cc32)C1 ZINC000087836992 185233197 /nfs/dbraw/zinc/23/31/97/185233197.db2.gz CUKSHBUKXJXVQU-SECBINFHSA-N 2 0 309.211 2.333 10 0 DEAERP CC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179620807 282230500 /nfs/dbraw/zinc/23/05/00/282230500.db2.gz VPICASQSCQVJDY-DLBZAZTESA-N 2 0 318.465 2.073 10 0 DEAERP CN(C[C@H]1CCC[N@@H+]1C)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000092625278 185330123 /nfs/dbraw/zinc/33/01/23/185330123.db2.gz NQUHWFHACRHWAJ-ROKHWSDSSA-N 2 0 307.404 2.462 10 0 DEAERP CCC(CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000261883796 282274795 /nfs/dbraw/zinc/27/47/95/282274795.db2.gz SBOWHWGMOCKIKW-WBVHZDCISA-N 2 0 309.498 2.393 10 0 DEAERP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000163852417 539602303 /nfs/dbraw/zinc/60/23/03/539602303.db2.gz XJVALHKRDPWHEZ-UHFFFAOYSA-N 2 0 313.401 2.264 10 0 DEAERP COc1ccc2c(c1)[C@@H](C[NH3+])N(CCCC[NH+]1CCCC1)C2 ZINC000071683128 191006407 /nfs/dbraw/zinc/00/64/07/191006407.db2.gz JRDKSXFPMIZVPS-GOSISDBHSA-N 2 0 303.450 2.387 10 0 DEAERP C[N@@H+](Cc1cc(N)cc(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000148058989 186042551 /nfs/dbraw/zinc/04/25/51/186042551.db2.gz WVFHDNSFDJIWIW-NSHDSACASA-N 2 0 312.255 2.415 10 0 DEAERP C[NH2+][C@H](C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149572805 186050942 /nfs/dbraw/zinc/05/09/42/186050942.db2.gz VEPAZTZUGDKJFR-UKRRQHHQSA-N 2 0 311.857 2.245 10 0 DEAERP C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@H]1C[N@H+](C)CCN1C ZINC000149590902 186051912 /nfs/dbraw/zinc/05/19/12/186051912.db2.gz MWSFJHPSLYDMAG-OLZOCXBDSA-N 2 0 313.848 2.246 10 0 DEAERP CCC[C@](F)(C[NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000164036621 186146275 /nfs/dbraw/zinc/14/62/75/186146275.db2.gz FWYIOTDIIILELE-LBPRGKRZSA-N 2 0 321.238 2.131 10 0 DEAERP C[NH+](C)[C@H]1CCN(c2ccc(CC[NH3+])cc2C(F)(F)F)C1 ZINC000163872018 186141264 /nfs/dbraw/zinc/14/12/64/186141264.db2.gz IKMWYGLRAIXMDK-LBPRGKRZSA-N 2 0 301.356 2.347 10 0 DEAERP CC1CCC([NH+]2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)CC1 ZINC000236789090 202010100 /nfs/dbraw/zinc/01/01/00/202010100.db2.gz HAVZGPNCMXPSTL-UHFFFAOYSA-N 2 0 315.461 2.482 10 0 DEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC1([NH3+])CC1 ZINC000404366944 540145866 /nfs/dbraw/zinc/14/58/66/540145866.db2.gz PRWNVOLUPMYGRH-HRCADAONSA-N 2 0 315.461 2.378 10 0 DEAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000262327356 356341296 /nfs/dbraw/zinc/34/12/96/356341296.db2.gz XGLDOQKWHRABHH-IRXDYDNUSA-N 2 0 303.450 2.272 10 0 DEAERP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]C)CC1)c1ccccc1 ZINC000236863453 202041585 /nfs/dbraw/zinc/04/15/85/202041585.db2.gz CWAGQGTZPYRZEE-KRWDZBQOSA-N 2 0 303.450 2.280 10 0 DEAERP C[C@H]([NH3+])CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000193318113 201028687 /nfs/dbraw/zinc/02/86/87/201028687.db2.gz SSAHFYJCJWSQON-ZDUSSCGKSA-N 2 0 302.422 2.269 10 0 DEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2COCCO2)C3)cc1 ZINC000447534303 239000113 /nfs/dbraw/zinc/00/01/13/239000113.db2.gz WFJRLBZNCHFVCW-AKHDSKFASA-N 2 0 316.445 2.187 10 0 DEAERP NC(=[NH2+])c1ccc(OC/C=C/COc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000006535283 181351782 /nfs/dbraw/zinc/35/17/82/181351782.db2.gz MNQAMLJHWQQDHZ-OWOJBTEDSA-N 2 0 324.384 2.269 10 0 DEAERP c1cc(C[NH2+]C[C@H]2CCN2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000623729275 365152629 /nfs/dbraw/zinc/15/26/29/365152629.db2.gz WTCRHNHSUQJNRF-QGZVFWFLSA-N 2 0 311.433 2.374 10 0 DEAERP CC[N@H+](CC(C)(C)O)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000092983543 193191457 /nfs/dbraw/zinc/19/14/57/193191457.db2.gz DWVFYIJFJHHRQF-UHFFFAOYSA-N 2 0 300.487 2.264 10 0 DEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262310837 203257366 /nfs/dbraw/zinc/25/73/66/203257366.db2.gz AKQVYDLABAETIR-WMZOPIPTSA-N 2 0 317.477 2.273 10 0 DEAERP C[NH2+][C@@]1(CO)CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093618285 193275138 /nfs/dbraw/zinc/27/51/38/193275138.db2.gz QOAIAMGPXCPYIO-GXTWGEPZSA-N 2 0 308.388 2.401 10 0 DEAERP C[NH2+][C@@H]1[C@H](C[N@H+](CCCOC)CCOC)CCCC1(C)C ZINC000094287545 193356213 /nfs/dbraw/zinc/35/62/13/193356213.db2.gz KRGSOASSEZVGPR-JKSUJKDBSA-N 2 0 300.487 2.386 10 0 DEAERP C[NH+](C)C(C)(C)COc1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336877 193360798 /nfs/dbraw/zinc/36/07/98/193360798.db2.gz AZSIBYGFICYZRS-UHFFFAOYSA-N 2 0 304.316 2.103 10 0 DEAERP [NH3+]CC1(N2CC[NH+](Cc3ccccc3)CC2)CCSCC1 ZINC000042334952 183255209 /nfs/dbraw/zinc/25/52/09/183255209.db2.gz IMADVGKXXYLNIL-UHFFFAOYSA-N 2 0 305.491 2.029 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccccc2)CC1 ZINC000105862053 194148582 /nfs/dbraw/zinc/14/85/82/194148582.db2.gz OKIIUMNEAFMNPL-INIZCTEOSA-N 2 0 306.450 2.090 10 0 DEAERP C[N@@H+](Cc1ccc(Br)c(N)c1)C[C@H]1CC[NH+](C)C1 ZINC000159353936 197347824 /nfs/dbraw/zinc/34/78/24/197347824.db2.gz LTUHXMHPZSYHCL-LBPRGKRZSA-N 2 0 312.255 2.415 10 0 DEAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000174128662 284830171 /nfs/dbraw/zinc/83/01/71/284830171.db2.gz ATCRNCJOTVFHKN-ZWKOTPCHSA-N 2 0 317.477 2.102 10 0 DEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000111133443 194394749 /nfs/dbraw/zinc/39/47/49/194394749.db2.gz QKGHWCNGJJWEKL-AWEZNQCLSA-N 2 0 301.381 2.171 10 0 DEAERP Cn1c2ccc(N)cc2[nH+]c1CCc1[nH+]c2cc(N)ccc2n1C ZINC000059116067 184134957 /nfs/dbraw/zinc/13/49/57/184134957.db2.gz JATLLWUNWISGDB-UHFFFAOYSA-N 2 0 320.400 2.410 10 0 DEAERP Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)NCCC[NH+](C)C)c1 ZINC000062066178 184203710 /nfs/dbraw/zinc/20/37/10/184203710.db2.gz CDYNYNSUXMRVCH-QGZVFWFLSA-N 2 0 303.450 2.027 10 0 DEAERP COCC[NH2+]Cc1cc(Cl)c(OCC[NH+](C)C)c(OC)c1 ZINC000062727864 184250572 /nfs/dbraw/zinc/25/05/72/184250572.db2.gz PIYCLMKBHPLGDX-UHFFFAOYSA-N 2 0 316.829 2.025 10 0 DEAERP c1ccc(C[C@@H]2CSC(N[C@@H]3C[NH+]4CCC3CC4)=[NH+]2)cc1 ZINC000063220248 184279497 /nfs/dbraw/zinc/27/94/97/184279497.db2.gz KCLIKTGYUCMWBH-HZPDHXFCSA-N 2 0 301.459 2.384 10 0 DEAERP C[NH2+][C@@H]1CCCc2nc(N3CC[C@H]([NH+]4CCCC4)C3)sc21 ZINC000062975181 184263647 /nfs/dbraw/zinc/26/36/47/184263647.db2.gz XBZHSLJKVMJECR-QWHCGFSZSA-N 2 0 306.479 2.414 10 0 DEAERP CCC[C@@H]([NH2+]C)c1c(Br)cnn1CC[NH+](C)C ZINC000158761867 197299287 /nfs/dbraw/zinc/29/92/87/197299287.db2.gz DWTWYBRCJBFPKW-LLVKDONJSA-N 2 0 303.248 2.268 10 0 DEAERP CCOCC[N@H+](C)CC1(C[NH2+]CCOC)CCC(C)CC1 ZINC000157555270 197196090 /nfs/dbraw/zinc/19/60/90/197196090.db2.gz TVMVDUQVEZWLDG-UHFFFAOYSA-N 2 0 300.487 2.387 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCCCC[NH+](C)C ZINC000247082089 145125824 /nfs/dbraw/zinc/12/58/24/145125824.db2.gz HXDHRMLTGBGBAI-IRXDYDNUSA-N 2 0 324.513 2.377 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000247508377 145139894 /nfs/dbraw/zinc/13/98/94/145139894.db2.gz YEHTWCUMEPPRAF-BRWVUGGUSA-N 2 0 324.513 2.135 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000247506229 145139909 /nfs/dbraw/zinc/13/99/09/145139909.db2.gz ORPMYSKWRNNOJU-CVEARBPZSA-N 2 0 310.486 2.034 10 0 DEAERP CCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000248795182 145167822 /nfs/dbraw/zinc/16/78/22/145167822.db2.gz JCWCFFMQAVWUII-KBAYOESNSA-N 2 0 317.477 2.353 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]CC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261669901 145215099 /nfs/dbraw/zinc/21/50/99/145215099.db2.gz GFVGZZMLFWCPKN-GFCCVEGCSA-N 2 0 305.397 2.190 10 0 DEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000261722548 145220498 /nfs/dbraw/zinc/22/04/98/145220498.db2.gz KFKADCQWWOTFCZ-NVXWUHKLSA-N 2 0 307.482 2.132 10 0 DEAERP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261805737 145227951 /nfs/dbraw/zinc/22/79/51/145227951.db2.gz HIMKKMUELKYRPX-HOTGVXAUSA-N 2 0 301.434 2.337 10 0 DEAERP O=C(NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000261981177 145249463 /nfs/dbraw/zinc/24/94/63/145249463.db2.gz RKYNOAFYUFMVRG-OAHLLOKOSA-N 2 0 307.482 2.147 10 0 DEAERP C[C@@]1(CN2CCN(Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000262009252 145252550 /nfs/dbraw/zinc/25/25/50/145252550.db2.gz MECQPBZTBLEKKC-QGZVFWFLSA-N 2 0 307.869 2.457 10 0 DEAERP CC(C)c1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262429689 145283650 /nfs/dbraw/zinc/28/36/50/145283650.db2.gz FSJKYDGTSOCKPH-HOTGVXAUSA-N 2 0 301.434 2.290 10 0 DEAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262952145 145313591 /nfs/dbraw/zinc/31/35/91/145313591.db2.gz JSRGJHIZPPXWHR-BQFCYCMXSA-N 2 0 307.482 2.275 10 0 DEAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 ZINC000119162287 401930229 /nfs/dbraw/zinc/93/02/29/401930229.db2.gz UFPCJNZNFQNTMR-HNNXBMFYSA-N 2 0 318.527 2.111 10 0 DEAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000120144975 401979911 /nfs/dbraw/zinc/97/99/11/401979911.db2.gz MALHFAVLMDYVHA-WBVHZDCISA-N 2 0 309.498 2.343 10 0 DEAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000120145261 401979963 /nfs/dbraw/zinc/97/99/63/401979963.db2.gz MALHFAVLMDYVHA-NVXWUHKLSA-N 2 0 309.498 2.343 10 0 DEAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000121905948 402055939 /nfs/dbraw/zinc/05/59/39/402055939.db2.gz ZHLQNHYAMOGYCB-AQFXKWCLSA-N 2 0 324.513 2.138 10 0 DEAERP COc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000153675487 402161798 /nfs/dbraw/zinc/16/17/98/402161798.db2.gz SKVQGRUACBIWCS-KBPBESRZSA-N 2 0 309.429 2.121 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000157706009 402298020 /nfs/dbraw/zinc/29/80/20/402298020.db2.gz HGMQXBXJKBXVQW-UHFFFAOYSA-N 2 0 322.497 2.034 10 0 DEAERP CN(c1ccccc1C[NH2+][C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000177578969 402417442 /nfs/dbraw/zinc/41/74/42/402417442.db2.gz BHFMLVCLSSYHHL-KRWDZBQOSA-N 2 0 317.477 2.486 10 0 DEAERP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C12CCOCC2 ZINC000186321241 402421075 /nfs/dbraw/zinc/42/10/75/402421075.db2.gz DPEOUBKSWBGGTE-IRXDYDNUSA-N 2 0 310.482 2.282 10 0 DEAERP CC(C)N1CCC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000177705284 402428406 /nfs/dbraw/zinc/42/84/06/402428406.db2.gz KQORMHTUSQJJCW-KRWDZBQOSA-N 2 0 307.482 2.194 10 0 DEAERP C[NH+](C)Cc1cc(CNC(=O)C2([NH3+])CCCCC2)ccc1F ZINC000237047499 402392833 /nfs/dbraw/zinc/39/28/33/402392833.db2.gz YKNLYDOEOCDVEW-UHFFFAOYSA-N 2 0 307.413 2.165 10 0 DEAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC000178307525 402482449 /nfs/dbraw/zinc/48/24/49/402482449.db2.gz AQEFLDZTFSEZHM-INIZCTEOSA-N 2 0 306.454 2.301 10 0 DEAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166209467 402482644 /nfs/dbraw/zinc/48/26/44/402482644.db2.gz GEVWLTHIUDSZKV-HZPDHXFCSA-N 2 0 321.490 2.204 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nnc(C(C)C)n3C2)[C@@H](C)C1 ZINC000245734811 402483767 /nfs/dbraw/zinc/48/37/67/402483767.db2.gz JVLCSKUGGZLCFM-KKUMJFAQSA-N 2 0 305.470 2.036 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000171063285 402553524 /nfs/dbraw/zinc/55/35/24/402553524.db2.gz VBHYBTWFCYJZCE-OAHLLOKOSA-N 2 0 312.502 2.138 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000247013177 402553650 /nfs/dbraw/zinc/55/36/50/402553650.db2.gz HFMBIBNBNUKQLW-RYRKJORJSA-N 2 0 321.509 2.486 10 0 DEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171191014 402565283 /nfs/dbraw/zinc/56/52/83/402565283.db2.gz AGSLAJUWPNROIO-KRWDZBQOSA-N 2 0 322.497 2.034 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CCNC2=O)C1 ZINC000246294052 402523198 /nfs/dbraw/zinc/52/31/98/402523198.db2.gz NLRFFVFYALFZLK-RKVPGOIHSA-N 2 0 315.461 2.143 10 0 DEAERP CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000170829528 402530180 /nfs/dbraw/zinc/53/01/80/402530180.db2.gz CUPVABOXSIMKQD-IRXDYDNUSA-N 2 0 324.513 2.088 10 0 DEAERP Cc1ncsc1CC[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000179251527 402582928 /nfs/dbraw/zinc/58/29/28/402582928.db2.gz NZYXPWXNIFOORR-MRXNPFEDSA-N 2 0 322.522 2.096 10 0 DEAERP CC[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000180169044 402608729 /nfs/dbraw/zinc/60/87/29/402608729.db2.gz XQQYFKKXCTWFTE-SJLPKXTDSA-N 2 0 301.434 2.032 10 0 DEAERP C[C@]1(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261752941 402716879 /nfs/dbraw/zinc/71/68/79/402716879.db2.gz KDFGJGYWUQEHEL-WMZOPIPTSA-N 2 0 319.493 2.101 10 0 DEAERP c1nc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814016 402717560 /nfs/dbraw/zinc/71/75/60/402717560.db2.gz PZKSCXJVZZNGEA-HZPDHXFCSA-N 2 0 302.466 2.398 10 0 DEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000263238548 402749004 /nfs/dbraw/zinc/74/90/04/402749004.db2.gz FLLBMNFQFQXMLZ-BBWFWOEESA-N 2 0 307.482 2.084 10 0 DEAERP CN1CCN([C@H]2CCCC[N@H+](CCOc3ccccc3)C2)CC1 ZINC000174891986 402761763 /nfs/dbraw/zinc/76/17/63/402761763.db2.gz BBBKZSGSTLMRRO-SFHVURJKSA-N 2 0 317.477 2.167 10 0 DEAERP c1csc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000262313932 402724082 /nfs/dbraw/zinc/72/40/82/402724082.db2.gz ZHIWIJDXEYUOTD-HNNXBMFYSA-N 3 0 320.506 2.087 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728945 402827417 /nfs/dbraw/zinc/82/74/17/402827417.db2.gz GOCOIBJTNDPKER-ZBFHGGJFSA-N 2 0 323.506 2.369 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C2)[nH+]1 ZINC000195516198 402849551 /nfs/dbraw/zinc/84/95/51/402849551.db2.gz QPNNKEXYTSZWRO-JKSUJKDBSA-N 2 0 318.465 2.285 10 0 DEAERP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516263 402849914 /nfs/dbraw/zinc/84/99/14/402849914.db2.gz HXCOHXJBWUNSLI-HZPDHXFCSA-N 2 0 318.465 2.381 10 0 DEAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333331887 403726867 /nfs/dbraw/zinc/72/68/67/403726867.db2.gz WIHQMBKWZIVUBD-VWHBUJHXSA-N 2 0 313.445 2.407 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cccc(Br)c1 ZINC000313710816 403989252 /nfs/dbraw/zinc/98/92/52/403989252.db2.gz HULTXTZKPXVMIQ-AWEZNQCLSA-N 2 0 315.255 2.335 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000262643033 304388533 /nfs/dbraw/zinc/38/85/33/304388533.db2.gz LVTMSQDBDHWQQK-SZMVWBNQSA-N 2 0 319.493 2.384 10 0 DEAERP COCCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCCCC1 ZINC000189077260 292306290 /nfs/dbraw/zinc/30/62/90/292306290.db2.gz OYINBPBNUVVSIT-QGZVFWFLSA-N 2 0 312.498 2.410 10 0 DEAERP CC[N@H+](CCNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1)C1CC1 ZINC000369821572 404238845 /nfs/dbraw/zinc/23/88/45/404238845.db2.gz ZKNMRIGGCMAAEO-ZDUSSCGKSA-N 2 0 318.465 2.239 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000358197447 404756289 /nfs/dbraw/zinc/75/62/89/404756289.db2.gz WODJSRPEHKKVTL-UHFFFAOYSA-N 2 0 322.497 2.060 10 0 DEAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379662728 405026966 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DEAERP C[NH+]1CCC(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000706483661 1086639918 /nfs/dbraw/zinc/63/99/18/1086639918.db2.gz IAMUDKDLMNHXNT-UHFFFAOYSA-N 2 0 323.481 2.317 10 0 DEAERP C[C@H](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000711224122 1087023173 /nfs/dbraw/zinc/02/31/73/1087023173.db2.gz LFANVUKHMWTFKL-WBVHZDCISA-N 2 0 317.477 2.259 10 0 DEAERP C[NH2+]CCC(C)(C)c1c(Br)cnn1CC[NH+](C)C ZINC000163759661 197648064 /nfs/dbraw/zinc/64/80/64/197648064.db2.gz CFKNJYAGNBNEOB-UHFFFAOYSA-N 2 0 317.275 2.094 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000079116335 185159401 /nfs/dbraw/zinc/15/94/01/185159401.db2.gz ABNJLPKDSDCPIU-HNNXBMFYSA-N 2 0 312.502 2.328 10 0 DEAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000087912723 185237411 /nfs/dbraw/zinc/23/74/11/185237411.db2.gz LHMYFCKWPKDVPS-AWEZNQCLSA-N 2 0 314.271 2.380 10 0 DEAERP [NH3+]CC1(NCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000087929561 185237761 /nfs/dbraw/zinc/23/77/61/185237761.db2.gz 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Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)[nH+]1 ZINC000181712802 199342333 /nfs/dbraw/zinc/34/23/33/199342333.db2.gz HTUYBEXSBLBPAT-RYUDHWBXSA-N 2 0 303.328 2.047 10 0 DEAERP Cc1n[nH]cc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000180647082 539646668 /nfs/dbraw/zinc/64/66/68/539646668.db2.gz VDTHZXGOIYGBSD-HNNXBMFYSA-N 2 0 319.497 2.319 10 0 DEAERP COc1cccc2c1CN(CCCC[NH+]1CCCC1)[C@@H]2C[NH3+] ZINC000071683150 191007809 /nfs/dbraw/zinc/00/78/09/191007809.db2.gz NFLKEVMRGHNJLH-QGZVFWFLSA-N 2 0 303.450 2.387 10 0 DEAERP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245936460 539759455 /nfs/dbraw/zinc/75/94/55/539759455.db2.gz UAJIMOFGICXXCU-BRWVUGGUSA-N 2 0 312.498 2.407 10 0 DEAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000263107266 539789088 /nfs/dbraw/zinc/78/90/88/539789088.db2.gz ABCZATSQZJLDFR-IUODEOHRSA-N 2 0 306.406 2.224 10 0 DEAERP COc1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)ccc1F ZINC000152661498 186094859 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194087099 /nfs/dbraw/zinc/08/70/99/194087099.db2.gz SRVZRGYHDRJQTR-KRWDZBQOSA-N 2 0 322.497 2.131 10 0 DEAERP CCOCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915707 194168399 /nfs/dbraw/zinc/16/83/99/194168399.db2.gz KHKHQNVDKSNNJZ-IBGZPJMESA-N 2 0 320.477 2.400 10 0 DEAERP CC[NH+](CC)CCN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000157922464 197227727 /nfs/dbraw/zinc/22/77/27/197227727.db2.gz MPXXOJPIIUHILQ-IRXDYDNUSA-N 2 0 311.514 2.149 10 0 DEAERP Cc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C(N)=S)c(C)[nH+]1 ZINC000156700468 197134043 /nfs/dbraw/zinc/13/40/43/197134043.db2.gz YAASRSLNZRQLOQ-WCQYABFASA-N 2 0 304.463 2.006 10 0 DEAERP Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(C(N)=S)c(C)[nH+]1 ZINC000156665825 197132328 /nfs/dbraw/zinc/13/23/28/197132328.db2.gz YLHYTMNKAMSCGG-CYBMUJFWSA-N 2 0 306.479 2.475 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C)C1 ZINC000248622438 285365860 /nfs/dbraw/zinc/36/58/60/285365860.db2.gz DFFUMKLGBDUUQF-JKSUJKDBSA-N 2 0 309.498 2.474 10 0 DEAERP CN(CCC[NH+](C)C)c1cc(Br)ccc1C(N)=[NH2+] ZINC000124241153 195619750 /nfs/dbraw/zinc/61/97/50/195619750.db2.gz JFKLGEMFBBBACW-UHFFFAOYSA-N 2 0 313.243 2.121 10 0 DEAERP COC(=O)[C@H](C)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368585909 133279097 /nfs/dbraw/zinc/27/90/97/133279097.db2.gz UYVSGMCMXDWTEQ-KBAYOESNSA-N 2 0 316.445 2.249 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000247269538 145131565 /nfs/dbraw/zinc/13/15/65/145131565.db2.gz JVSGPABIGGJRKC-SJORKVTESA-N 2 0 324.513 2.136 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)NC)cc2)[C@@H](C)C1 ZINC000247328636 145133488 /nfs/dbraw/zinc/13/34/88/145133488.db2.gz YIRRGRMDFFYJHQ-YOEHRIQHSA-N 2 0 303.450 2.208 10 0 DEAERP C[C@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249098059 145178094 /nfs/dbraw/zinc/17/80/94/145178094.db2.gz UIIOSEYSKQWTLX-COSYGPSOSA-N 2 0 315.461 2.282 10 0 DEAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261549651 145207126 /nfs/dbraw/zinc/20/71/26/145207126.db2.gz OWWSGCVNTPQTPM-MUGJNUQGSA-N 3 0 313.489 2.486 10 0 DEAERP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261890024 145237955 /nfs/dbraw/zinc/23/79/55/145237955.db2.gz NQEPFFGLRBHQJR-MRXNPFEDSA-N 2 0 319.449 2.344 10 0 DEAERP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261927412 145243113 /nfs/dbraw/zinc/24/31/13/145243113.db2.gz IXBNQWAKLXKNIT-RDJZCZTQSA-N 2 0 307.482 2.371 10 0 DEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262671124 145298966 /nfs/dbraw/zinc/29/89/66/145298966.db2.gz OKUHWZOWCQULCQ-OIISXLGYSA-N 2 0 315.461 2.456 10 0 DEAERP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000358489466 147144250 /nfs/dbraw/zinc/14/42/50/147144250.db2.gz BVNQTBPSVBHNQR-SJORKVTESA-N 2 0 324.513 2.234 10 0 DEAERP CO[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000359386944 147319126 /nfs/dbraw/zinc/31/91/26/147319126.db2.gz DCPWKERZAYJGLG-WDSOQIARSA-N 2 0 318.461 2.292 10 0 DEAERP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000370763670 148053594 /nfs/dbraw/zinc/05/35/94/148053594.db2.gz NPVAWLWUNCAOQL-ROUUACIJSA-N 2 0 315.461 2.014 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000132331454 401865751 /nfs/dbraw/zinc/86/57/51/401865751.db2.gz JVSGPABIGGJRKC-DLBZAZTESA-N 2 0 324.513 2.136 10 0 DEAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000079492220 401874095 /nfs/dbraw/zinc/87/40/95/401874095.db2.gz AMKOGGIKXJKAOK-LJQANCHMSA-N 2 0 320.477 2.228 10 0 DEAERP CCCCOC(=O)[C@@H](C)N1CCC(Cc2nccn2C)CC1 ZINC000119236489 401934890 /nfs/dbraw/zinc/93/48/90/401934890.db2.gz PZGXTKQBPGQVAS-CQSZACIVSA-N 2 0 307.438 2.406 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000052519279 402042981 /nfs/dbraw/zinc/04/29/81/402042981.db2.gz VOUBRMHTYLJLEH-SJORKVTESA-N 2 0 318.465 2.073 10 0 DEAERP COc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123286180 402119689 /nfs/dbraw/zinc/11/96/89/402119689.db2.gz WAICJHOTXARACC-KBPBESRZSA-N 2 0 305.422 2.048 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000123468419 402129233 /nfs/dbraw/zinc/12/92/33/402129233.db2.gz YEHTWCUMEPPRAF-GVDBMIGSSA-N 2 0 324.513 2.135 10 0 DEAERP C[C@@H]1C[N@@H+](CC2CCN(CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000153461629 402146657 /nfs/dbraw/zinc/14/66/57/402146657.db2.gz KWXZJKIPNUPQJE-HDICACEKSA-N 2 0 323.525 2.294 10 0 DEAERP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc(OC)c1OC ZINC000154560025 402218328 /nfs/dbraw/zinc/21/83/28/402218328.db2.gz ICHYZJOQUMLDGK-OCCSQVGLSA-N 2 0 308.422 2.457 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105125259 402205720 /nfs/dbraw/zinc/20/57/20/402205720.db2.gz ZZQPUBVHQQBURH-DLBZAZTESA-N 2 0 324.513 2.377 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176060290 402274462 /nfs/dbraw/zinc/27/44/62/402274462.db2.gz NEVJYUUIVFGDAT-DLBZAZTESA-N 2 0 324.513 2.280 10 0 DEAERP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]([NH3+])c1ccccc1 ZINC000237394367 402407256 /nfs/dbraw/zinc/40/72/56/402407256.db2.gz UJCJKDFJKPSCEF-SNGNKRRRSA-N 2 0 301.434 2.064 10 0 DEAERP O=C(CCC1CC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000237945420 402427521 /nfs/dbraw/zinc/42/75/21/402427521.db2.gz WCZKNLSBWSPTHI-UHFFFAOYSA-N 2 0 307.482 2.101 10 0 DEAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000178295739 402481050 /nfs/dbraw/zinc/48/10/50/402481050.db2.gz MJHFXNJSFUYPPP-MRXNPFEDSA-N 2 0 304.438 2.059 10 0 DEAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166209329 402482673 /nfs/dbraw/zinc/48/26/73/402482673.db2.gz GEVWLTHIUDSZKV-HOTGVXAUSA-N 2 0 321.490 2.204 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C)c2)[C@H](C)C1 ZINC000246825004 402546053 /nfs/dbraw/zinc/54/60/53/402546053.db2.gz NXEJOYADSBKPSV-LMMKCTJWSA-N 2 0 320.477 2.397 10 0 DEAERP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000171038389 402551397 /nfs/dbraw/zinc/55/13/97/402551397.db2.gz GMHLEXJITWWXFQ-OAHLLOKOSA-N 2 0 312.502 2.233 10 0 DEAERP CC(C)[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179227799 402582232 /nfs/dbraw/zinc/58/22/32/402582232.db2.gz GUKPLYCLYQDBNC-VPSFDDGASA-N 2 0 307.482 2.048 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248485751 402593295 /nfs/dbraw/zinc/59/32/95/402593295.db2.gz KVMUYEMLWNNDNG-IKGGRYGDSA-N 2 0 324.513 2.279 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C12CCOCC2 ZINC000248922966 402614474 /nfs/dbraw/zinc/61/44/74/402614474.db2.gz FKIYGBLFBXTNSX-VVLHAWIVSA-N 2 0 310.482 2.423 10 0 DEAERP c1nc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814019 402717757 /nfs/dbraw/zinc/71/77/57/402717757.db2.gz PZKSCXJVZZNGEA-JKSUJKDBSA-N 2 0 302.466 2.398 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174522063 402745349 /nfs/dbraw/zinc/74/53/49/402745349.db2.gz UBGAQOAQYZWPQZ-WBVHZDCISA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000174013803 402723455 /nfs/dbraw/zinc/72/34/55/402723455.db2.gz UQSFVIZOCHBGCN-JKSUJKDBSA-N 2 0 319.449 2.044 10 0 DEAERP CC[NH2+]Cc1ccccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000194758263 402815027 /nfs/dbraw/zinc/81/50/27/402815027.db2.gz FQJVCZNUDJGJDK-UHFFFAOYSA-N 2 0 304.419 2.006 10 0 DEAERP C[C@@H](CCNC(=O)c1cnccc1N(C)C)[NH+]1CCCCC1 ZINC000184441645 402843770 /nfs/dbraw/zinc/84/37/70/402843770.db2.gz UIPNCZOOYKKBDA-AWEZNQCLSA-N 2 0 304.438 2.142 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728906 402827368 /nfs/dbraw/zinc/82/73/68/402827368.db2.gz ZQOZBGKVZCJNPJ-CZUORRHYSA-N 2 0 307.413 2.426 10 0 DEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000195049508 402829281 /nfs/dbraw/zinc/82/92/81/402829281.db2.gz YHHCLRIYWKTISU-IRXDYDNUSA-N 2 0 324.513 2.280 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175865396 402839150 /nfs/dbraw/zinc/83/91/50/402839150.db2.gz SGIZSLSUVNUDBC-XHSDSOJGSA-N 2 0 312.502 2.135 10 0 DEAERP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@@H]21 ZINC000333135448 403674155 /nfs/dbraw/zinc/67/41/55/403674155.db2.gz BMWYOTUVZDCIJL-SOUVJXGZSA-N 2 0 301.438 2.031 10 0 DEAERP [NH3+]C1CCC([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000333272997 403712828 /nfs/dbraw/zinc/71/28/28/403712828.db2.gz KVOTWJZLMIGOCC-BCLQGDPASA-N 2 0 302.422 2.152 10 0 DEAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333331888 403726812 /nfs/dbraw/zinc/72/68/12/403726812.db2.gz WIHQMBKWZIVUBD-ZTCUZBCZSA-N 2 0 313.445 2.407 10 0 DEAERP CC(C)[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000333943875 403903112 /nfs/dbraw/zinc/90/31/12/403903112.db2.gz RLOGGRRMQXPBFL-IRXDYDNUSA-N 2 0 324.513 2.184 10 0 DEAERP CNC(=O)c1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424283732 405057776 /nfs/dbraw/zinc/05/77/76/405057776.db2.gz BSNQIOBHGGRTQB-AWEZNQCLSA-N 2 0 301.434 2.010 10 0 DEAERP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000638079189 406558662 /nfs/dbraw/zinc/55/86/62/406558662.db2.gz CHOYSEPFVYTAPY-ZWKOTPCHSA-N 2 0 313.445 2.205 10 0 DEAERP O=C(CCC1C[NH2+]C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000638081973 406559808 /nfs/dbraw/zinc/55/98/08/406559808.db2.gz QXLPVANEIZMAAV-UHFFFAOYSA-N 2 0 315.461 2.014 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398073574 269107990 /nfs/dbraw/zinc/10/79/90/269107990.db2.gz DZQYHLYNMGHBCL-YTQUADARSA-N 2 0 319.493 2.241 10 0 DEAERP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000194670107 277149635 /nfs/dbraw/zinc/14/96/35/277149635.db2.gz NTMPYODEGVUKKG-UHFFFAOYSA-N 2 0 322.497 2.129 10 0 DEAERP COC[C@H](C)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000187657215 332980896 /nfs/dbraw/zinc/98/08/96/332980896.db2.gz AHFVPJYSCRIBJP-GOSISDBHSA-N 2 0 319.493 2.066 10 0 DEAERP C[C@H]([NH3+])CCC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000248882283 524830937 /nfs/dbraw/zinc/83/09/37/524830937.db2.gz SNCZXFVBUKEZMF-JYJNAYRXSA-N 2 0 317.477 2.387 10 0 DEAERP C[N@@H+]1CC[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261928918 536450259 /nfs/dbraw/zinc/45/02/59/536450259.db2.gz CBGWTMYXLSVOMI-WFASDCNBSA-N 2 0 324.831 2.411 10 0 DEAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247256640 535493180 /nfs/dbraw/zinc/49/31/80/535493180.db2.gz UZAGUURRJDMCHJ-FUHWJXTLSA-N 2 0 317.477 2.498 10 0 DEAERP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262646141 536033472 /nfs/dbraw/zinc/03/34/72/536033472.db2.gz KCLWWBRVBNKHEL-KURKYZTESA-N 2 0 315.461 2.285 10 0 DEAERP CCC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000161262158 624881548 /nfs/dbraw/zinc/88/15/48/624881548.db2.gz KAWWZBDTKJYQOV-QGZVFWFLSA-N 2 0 318.465 2.107 10 0 DEAERP CO[C@@](C)(CO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716634419 792982770 /nfs/dbraw/zinc/98/27/70/792982770.db2.gz AVZVBDJXJYSYGJ-CADBVGFASA-N 2 0 318.461 2.027 10 0 DEAERP COCC(COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716712020 793002661 /nfs/dbraw/zinc/00/26/61/793002661.db2.gz JAGLOVTWRAMDIH-SCTDSRPQSA-N 2 0 318.461 2.291 10 0 DEAERP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCOCC1 ZINC000625268369 365707774 /nfs/dbraw/zinc/70/77/74/365707774.db2.gz YFWLSARNKLHUIK-CRAIPNDOSA-N 2 0 308.466 2.131 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416100 282386048 /nfs/dbraw/zinc/38/60/48/282386048.db2.gz DXKSLLPEGUZQFI-WMLDXEAASA-N 2 0 321.440 2.104 10 0 DEAERP C[NH+]1CCC(Oc2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC1 ZINC000164324195 186156020 /nfs/dbraw/zinc/15/60/20/186156020.db2.gz KATPUGKPOALKMC-UHFFFAOYSA-N 2 0 301.312 2.462 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776686 198383291 /nfs/dbraw/zinc/38/32/91/198383291.db2.gz VCWKNBLHNLHKDJ-AEFFLSMTSA-N 2 0 317.477 2.307 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775341 198383515 /nfs/dbraw/zinc/38/35/15/198383515.db2.gz AVDKHRUMLQZBEC-RHSMWYFYSA-N 2 0 319.449 2.296 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776701 198383525 /nfs/dbraw/zinc/38/35/25/198383525.db2.gz VCWKNBLHNLHKDJ-SJLPKXTDSA-N 2 0 317.477 2.307 10 0 DEAERP C[C@H]([NH3+])CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404289811 540144302 /nfs/dbraw/zinc/14/43/02/540144302.db2.gz AHLONDZKHMSVBE-VGWMRTNUSA-N 2 0 303.450 2.234 10 0 DEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000404296043 540144630 /nfs/dbraw/zinc/14/46/30/540144630.db2.gz CYBVNEGOVQDBJR-LISAXSMJSA-N 2 0 315.461 2.106 10 0 DEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000195271157 201371944 /nfs/dbraw/zinc/37/19/44/201371944.db2.gz UBZMQMCAGLSBMB-IBGZPJMESA-N 2 0 316.493 2.321 10 0 DEAERP C[NH+](C)[C@H]1CCCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000091394167 193050097 /nfs/dbraw/zinc/05/00/97/193050097.db2.gz TZAVXMRZPPLDBN-MOKVOYLWSA-N 2 0 307.404 2.462 10 0 DEAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261820068 291406554 /nfs/dbraw/zinc/40/65/54/291406554.db2.gz XUJAHPVOXHRSMX-DYVFJYSZSA-N 2 0 305.397 2.318 10 0 DEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)CCC[NH3+] ZINC000262636321 203360808 /nfs/dbraw/zinc/36/08/08/203360808.db2.gz HSMBUCJUJCRZOO-MNZLEMJZSA-N 2 0 317.477 2.340 10 0 DEAERP CC[NH2+][C@@H]1CCC[C@@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093554552 193267563 /nfs/dbraw/zinc/26/75/63/193267563.db2.gz TXDOBADITRKTMJ-ZIAGYGMSSA-N 2 0 307.404 2.335 10 0 DEAERP CC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@H+](CCOC)CC(C)C ZINC000093617319 193275252 /nfs/dbraw/zinc/27/52/52/193275252.db2.gz SWIZLCKRIKPPOR-DLBZAZTESA-N 2 0 300.487 2.122 10 0 DEAERP CC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+](CCOC)CC(C)C ZINC000093617316 193275700 /nfs/dbraw/zinc/27/57/00/193275700.db2.gz SWIZLCKRIKPPOR-SJORKVTESA-N 2 0 300.487 2.122 10 0 DEAERP CC[NH2+]Cc1nc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cs1 ZINC000094443695 193369744 /nfs/dbraw/zinc/36/97/44/193369744.db2.gz PQGRKPDQERIYDG-ZFWWWQNUSA-N 2 0 308.495 2.311 10 0 DEAERP c1cc(CCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000530240117 284383582 /nfs/dbraw/zinc/38/35/82/284383582.db2.gz KUBAQSXWXUJHPI-GOSISDBHSA-N 2 0 303.450 2.105 10 0 DEAERP C[C@H]([NH3+])Cc1cccc(Br)c1OCC[NH+](C)C ZINC000042412806 183266663 /nfs/dbraw/zinc/26/66/63/183266663.db2.gz BDLXGQVSFLHDGT-JTQLQIEISA-N 2 0 301.228 2.279 10 0 DEAERP CC[NH2+]Cc1c(N2CC[N@H+](C)C(C)(C)C2)nc2sccn12 ZINC000110731129 194354483 /nfs/dbraw/zinc/35/44/83/194354483.db2.gz TYDNEDXVCGCDHC-UHFFFAOYSA-N 2 0 307.467 2.036 10 0 DEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711767 184248857 /nfs/dbraw/zinc/24/88/57/184248857.db2.gz MEEOVAYCHFUGCQ-FZMZJTMJSA-N 2 0 301.356 2.130 10 0 DEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000062964751 184262781 /nfs/dbraw/zinc/26/27/81/184262781.db2.gz AANPYDZJKIZMGQ-KBPBESRZSA-N 2 0 301.356 2.341 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000538315129 285031379 /nfs/dbraw/zinc/03/13/79/285031379.db2.gz DPSJNVUGPGBGCY-QGZVFWFLSA-N 2 0 303.450 2.061 10 0 DEAERP Cc1cc(N(C)CC2CC[NH+](C)CC2)c(C(N)=S)c(C)[nH+]1 ZINC000156677771 197132809 /nfs/dbraw/zinc/13/28/09/197132809.db2.gz AZZLULQGNHIANE-UHFFFAOYSA-N 2 0 306.479 2.111 10 0 DEAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2ccsc2)[C@H]2CCCO[C@@H]12 ZINC000247953223 257114092 /nfs/dbraw/zinc/11/40/92/257114092.db2.gz CKTPBGSPCYDHEG-ARFHVFGLSA-N 2 0 310.463 2.058 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000360416880 133180660 /nfs/dbraw/zinc/18/06/60/133180660.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 2 0 311.514 2.055 10 0 DEAERP c1ccc(-c2noc(CC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000563800518 292073773 /nfs/dbraw/zinc/07/37/73/292073773.db2.gz VFSUOUOGMNWOLP-GOSISDBHSA-N 2 0 312.417 2.355 10 0 DEAERP c1cc(OCCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCO2 ZINC000564986293 292124781 /nfs/dbraw/zinc/12/47/81/292124781.db2.gz LLXNTOOYSDTACM-GOSISDBHSA-N 2 0 318.417 2.260 10 0 DEAERP Cc1cnc(CC[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000191596203 145061425 /nfs/dbraw/zinc/06/14/25/145061425.db2.gz JWUCPHLXQLKODU-UHFFFAOYSA-N 2 0 324.538 2.342 10 0 DEAERP Cc1csc(=O)n1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193078852 145082034 /nfs/dbraw/zinc/08/20/34/145082034.db2.gz QKXPIHBMUKQUKR-UHFFFAOYSA-N 2 0 309.479 2.026 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246815530 145115233 /nfs/dbraw/zinc/11/52/33/145115233.db2.gz DJBJBOFTWIZPHI-ZACQAIPSSA-N 2 0 324.513 2.279 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000248747549 145166469 /nfs/dbraw/zinc/16/64/69/145166469.db2.gz UCJWMZFANCMDGM-WMLDXEAASA-N 2 0 307.482 2.050 10 0 DEAERP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249882116 145191141 /nfs/dbraw/zinc/19/11/41/145191141.db2.gz NTSGHNSMKFFUIM-HOTGVXAUSA-N 2 0 318.465 2.429 10 0 DEAERP C[N@@H+]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802504 145200941 /nfs/dbraw/zinc/20/09/41/145200941.db2.gz MQNBGWQCAGTPSE-NVXWUHKLSA-N 2 0 311.433 2.388 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3CC[C@H]([NH3+])C(C)(C)C3)sc2C1 ZINC000261918200 145241826 /nfs/dbraw/zinc/24/18/26/145241826.db2.gz YJRNCSKLLKHSFS-HNNXBMFYSA-N 2 0 322.522 2.469 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262121952 145263556 /nfs/dbraw/zinc/26/35/56/145263556.db2.gz IUJZDQAGMBEBFJ-UUAJXVIYSA-N 2 0 307.482 2.144 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262325570 145276338 /nfs/dbraw/zinc/27/63/38/145276338.db2.gz DIMYIHWJMOWNCU-YVSFHVDLSA-N 2 0 309.498 2.249 10 0 DEAERP COc1cc(OC)c(OC)cc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262429678 145283541 /nfs/dbraw/zinc/28/35/41/145283541.db2.gz FSEPHHNMXJIQET-INIZCTEOSA-N 2 0 308.422 2.272 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)C[C@H]1C ZINC000358648671 147173168 /nfs/dbraw/zinc/17/31/68/147173168.db2.gz MSBDCVWUUWGYTM-IAGOWNOFSA-N 2 0 322.497 2.153 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073654657 401719803 /nfs/dbraw/zinc/71/98/03/401719803.db2.gz KMQFDLIMKLCUAC-JKSUJKDBSA-N 2 0 312.502 2.233 10 0 DEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000073654030 401719957 /nfs/dbraw/zinc/71/99/57/401719957.db2.gz ODMOEZPHLWDPEH-HZPDHXFCSA-N 2 0 312.502 2.090 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000128503570 401780091 /nfs/dbraw/zinc/78/00/91/401780091.db2.gz RCPMTNIWTRFLRA-ZACQAIPSSA-N 2 0 324.513 2.090 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132165736 401863315 /nfs/dbraw/zinc/86/33/15/401863315.db2.gz CBDHTNBQNCWUKL-DOTOQJQBSA-N 2 0 324.513 2.136 10 0 DEAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000079492215 401874127 /nfs/dbraw/zinc/87/41/27/401874127.db2.gz AMKOGGIKXJKAOK-IBGZPJMESA-N 2 0 320.477 2.228 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000052519278 402043064 /nfs/dbraw/zinc/04/30/64/402043064.db2.gz VOUBRMHTYLJLEH-IRXDYDNUSA-N 2 0 318.465 2.073 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000123942383 402155277 /nfs/dbraw/zinc/15/52/77/402155277.db2.gz PHRWCKDBLGINRM-BACDZXNISA-N 2 0 324.513 2.279 10 0 DEAERP CC[N@H+](CCCC1CC[NH+](CC(C)(C)O)CC1)CC(C)(C)O ZINC000154719462 402227740 /nfs/dbraw/zinc/22/77/40/402227740.db2.gz KPJNHTOPQOIVEU-UHFFFAOYSA-N 2 0 314.514 2.342 10 0 DEAERP COCC[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000176106396 402279371 /nfs/dbraw/zinc/27/93/71/402279371.db2.gz APQBUCXCMIUWHK-QFBILLFUSA-N 2 0 320.477 2.447 10 0 DEAERP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185012213 402316967 /nfs/dbraw/zinc/31/69/67/402316967.db2.gz ZTKBQPATDFHBFF-HNNXBMFYSA-N 2 0 317.437 2.381 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1sccc1Br ZINC000234734784 402360880 /nfs/dbraw/zinc/36/08/80/402360880.db2.gz FBBNUYKZQQVNPE-SECBINFHSA-N 2 0 307.257 2.354 10 0 DEAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COCc2ccccc2F)CCN1C ZINC000177057742 402364614 /nfs/dbraw/zinc/36/46/14/402364614.db2.gz LBMXIXOWOSJUAK-OIISXLGYSA-N 2 0 324.440 2.118 10 0 DEAERP c1ccn2c(c1)nnc2C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000162695188 402428909 /nfs/dbraw/zinc/42/89/09/402428909.db2.gz JYQKVUOSKXPQIT-UHFFFAOYSA-N 2 0 313.449 2.395 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000177868111 402441599 /nfs/dbraw/zinc/44/15/99/402441599.db2.gz LTJAVRHLRQJMPW-KRWDZBQOSA-N 2 0 324.513 2.092 10 0 DEAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000164536252 402464339 /nfs/dbraw/zinc/46/43/39/402464339.db2.gz DTJKSFPHEIWXKP-GDBMZVCRSA-N 2 0 319.424 2.034 10 0 DEAERP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000178839872 402545394 /nfs/dbraw/zinc/54/53/94/402545394.db2.gz KUCVVMZRCWTZHB-UMQBVGHOSA-N 2 0 321.509 2.473 10 0 DEAERP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000171038393 402551781 /nfs/dbraw/zinc/55/17/81/402551781.db2.gz GMHLEXJITWWXFQ-HNNXBMFYSA-N 2 0 312.502 2.233 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247073135 402555660 /nfs/dbraw/zinc/55/56/60/402555660.db2.gz YQZCKBMIWITZEO-MSOLQXFVSA-N 2 0 315.461 2.447 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000171192355 402565311 /nfs/dbraw/zinc/56/53/11/402565311.db2.gz MWEAAFWGQJTIGT-XHSDSOJGSA-N 2 0 324.513 2.136 10 0 DEAERP C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246195986 402517759 /nfs/dbraw/zinc/51/77/59/402517759.db2.gz ADNXLJJYNBYUFV-KWJBXHGQSA-N 2 0 309.498 2.484 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000246324446 402525493 /nfs/dbraw/zinc/52/54/93/402525493.db2.gz ODMOEZPHLWDPEH-HOTGVXAUSA-N 2 0 312.502 2.090 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246438860 402531282 /nfs/dbraw/zinc/53/12/82/402531282.db2.gz KAZLWPJOGCMSCX-PMPSAXMXSA-N 2 0 310.486 2.033 10 0 DEAERP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2ccnn2C)C1 ZINC000190458945 402602107 /nfs/dbraw/zinc/60/21/07/402602107.db2.gz LGJQRXSLFVQDCG-CQSZACIVSA-N 2 0 319.478 2.139 10 0 DEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000249088747 402620013 /nfs/dbraw/zinc/62/00/13/402620013.db2.gz NOZUPHJRWQJGSW-RBUKOAKNSA-N 2 0 323.525 2.030 10 0 DEAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180930838 402630295 /nfs/dbraw/zinc/63/02/95/402630295.db2.gz ZSXVFBKNHAXBGE-INIZCTEOSA-N 2 0 317.481 2.298 10 0 DEAERP C[C@]1(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261752932 402717187 /nfs/dbraw/zinc/71/71/87/402717187.db2.gz KDFGJGYWUQEHEL-AEFFLSMTSA-N 2 0 319.493 2.101 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccco2)N(C)C)CC[N@@H+]1C ZINC000173355420 402693921 /nfs/dbraw/zinc/69/39/21/402693921.db2.gz BWXKWESOHQCYLS-ILXRZTDVSA-N 2 0 322.453 2.006 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000173395675 402695954 /nfs/dbraw/zinc/69/59/54/402695954.db2.gz KNCKRNWPPUGNEL-CVEARBPZSA-N 2 0 324.513 2.375 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174173059 402730164 /nfs/dbraw/zinc/73/01/64/402730164.db2.gz KBXXQQSCSUMIOK-IRXDYDNUSA-N 2 0 324.513 2.090 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174680710 402751601 /nfs/dbraw/zinc/75/16/01/402751601.db2.gz JQSGSHXABPYZBY-QGZVFWFLSA-N 2 0 322.497 2.154 10 0 DEAERP CC[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174770009 402756146 /nfs/dbraw/zinc/75/61/46/402756146.db2.gz OYTUKAFCULEKTI-GVDBMIGSSA-N 2 0 309.498 2.440 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175101161 402778998 /nfs/dbraw/zinc/77/89/98/402778998.db2.gz MSFWFNDQCVGVDA-BRWVUGGUSA-N 2 0 324.513 2.375 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175774886 402831843 /nfs/dbraw/zinc/83/18/43/402831843.db2.gz GCFHJIGKZWLLFF-UHFFFAOYSA-N 2 0 324.513 2.236 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000194131277 402785129 /nfs/dbraw/zinc/78/51/29/402785129.db2.gz GZUJWMUNEXKORO-HNNXBMFYSA-N 2 0 310.486 2.034 10 0 DEAERP CO[C@@H]1C[NH+](C/C=C\C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000342738098 403328447 /nfs/dbraw/zinc/32/84/47/403328447.db2.gz TXEKBEJYXOVQTQ-AVXICVFVSA-N 2 0 310.482 2.256 10 0 DEAERP c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)[nH]nc1-c1cccnc1 ZINC000364762687 404529896 /nfs/dbraw/zinc/52/98/96/404529896.db2.gz BQURUFZULKVWMK-UHFFFAOYSA-N 2 0 311.433 2.436 10 0 DEAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000360983457 404869735 /nfs/dbraw/zinc/86/97/35/404869735.db2.gz ARWVVZRVPKVJRS-OKZBNKHCSA-N 2 0 310.482 2.284 10 0 DEAERP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000635001627 406394469 /nfs/dbraw/zinc/39/44/69/406394469.db2.gz WWWVCUVDXDWOJS-ILXRZTDVSA-N 2 0 307.235 2.429 10 0 DEAERP C([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635012404 406399864 /nfs/dbraw/zinc/39/98/64/406399864.db2.gz MIVCMFAZIHALBH-BRSBDYLESA-N 2 0 322.493 2.473 10 0 DEAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nccn1C ZINC000183037908 287018980 /nfs/dbraw/zinc/01/89/80/287018980.db2.gz RAFXZPZBGXNDJR-MRXNPFEDSA-N 2 0 319.497 2.021 10 0 DEAERP CCC[C@](C)(C[NH2+]C(C)C)C[NH+]1CCC(OCCO)CC1 ZINC000129429562 196047916 /nfs/dbraw/zinc/04/79/16/196047916.db2.gz VFVJZECKPCLPKF-QGZVFWFLSA-N 2 0 300.487 2.264 10 0 DEAERP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000173328260 267473740 /nfs/dbraw/zinc/47/37/40/267473740.db2.gz SZLUGOCZOITGJV-HZPDHXFCSA-N 2 0 312.502 2.229 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659316703 425575781 /nfs/dbraw/zinc/57/57/81/425575781.db2.gz RIYNGQRMXXHZPW-OAHLLOKOSA-N 2 0 315.461 2.285 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246332113 279319226 /nfs/dbraw/zinc/31/92/26/279319226.db2.gz BBKDFGDVBBBMQM-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000154842081 280078360 /nfs/dbraw/zinc/07/83/60/280078360.db2.gz KRGZTAWFVDPKHH-PKOBYXMFSA-N 2 0 317.477 2.498 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000245399078 280099795 /nfs/dbraw/zinc/09/97/95/280099795.db2.gz VNEMZNUDEVWKOF-NVXWUHKLSA-N 2 0 320.481 2.319 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000246996253 288312837 /nfs/dbraw/zinc/31/28/37/288312837.db2.gz PUFSYWGMSSNHPG-PBHICJAKSA-N 2 0 301.434 2.057 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000247535667 297098210 /nfs/dbraw/zinc/09/82/10/297098210.db2.gz XYZKXULLXAJXDV-HIFRSBDPSA-N 2 0 322.497 2.174 10 0 DEAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000441185228 528095324 /nfs/dbraw/zinc/09/53/24/528095324.db2.gz SLKLEKILQZZLEG-INIZCTEOSA-N 2 0 309.498 2.441 10 0 DEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309902551 535848488 /nfs/dbraw/zinc/84/84/88/535848488.db2.gz PHERICSAWQQECX-CGTJXYLNSA-N 2 0 317.477 2.388 10 0 DEAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])ccc1F ZINC000263045948 535991250 /nfs/dbraw/zinc/99/12/50/535991250.db2.gz UAOAGLWQXOWUCZ-QAPCUYQASA-N 2 0 321.440 2.411 10 0 DEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692742 536449747 /nfs/dbraw/zinc/44/97/47/536449747.db2.gz BBWCKLIVTRPCTP-RTBURBONSA-N 2 0 301.478 2.440 10 0 DEAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(C)c3)C2)[C@H]1C(C)C ZINC000888097450 635540590 /nfs/dbraw/zinc/54/05/90/635540590.db2.gz JEWSXVDTOUCYCN-MKXGPGLRSA-N 2 0 317.477 2.349 10 0 DEAERP CO[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397501790 790194163 /nfs/dbraw/zinc/19/41/63/790194163.db2.gz ZPFOMGKEZSNMAE-QZTJIDSGSA-N 2 0 318.461 2.171 10 0 DEAERP Cc1nc[nH]c1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000713341229 792219542 /nfs/dbraw/zinc/21/95/42/792219542.db2.gz CGJZOGMJQAFHHW-CJNGLKHVSA-N 2 0 312.417 2.102 10 0 DEAERP CN(C)C(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734527 793005304 /nfs/dbraw/zinc/00/53/04/793005304.db2.gz WAYINSSAZODQAH-KSZLIROESA-N 2 0 315.461 2.107 10 0 DEAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCOCCOCc2ccccc2)C12CCC2 ZINC000405427140 802064389 /nfs/dbraw/zinc/06/43/89/802064389.db2.gz RFRMCSJAEUOLLL-ZWKOTPCHSA-N 2 0 318.461 2.469 10 0 DEAERP CC(C)([NH3+])CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702052236 1086402311 /nfs/dbraw/zinc/40/23/11/1086402311.db2.gz XLCFJUWJLNMDCW-QFBILLFUSA-N 2 0 315.461 2.094 10 0 DEAERP CCC[N@@H+]1CC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710914541 1086690761 /nfs/dbraw/zinc/69/07/61/1086690761.db2.gz PPEUGODTVKWANR-CQSZACIVSA-N 2 0 311.470 2.175 10 0 DEAERP CC1(C)C[NH2+]C[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000711255873 1087039731 /nfs/dbraw/zinc/03/97/31/1087039731.db2.gz ZOAPRXADZDWXOI-QGZVFWFLSA-N 2 0 315.461 2.013 10 0 DEAERP C[N@H+]1CC=C(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000711477394 1087120450 /nfs/dbraw/zinc/12/04/50/1087120450.db2.gz QXQXBNDIGRTKRQ-GASCZTMLSA-N 2 0 309.454 2.141 10 0 DEAERP CC[C@@H](CC[NH3+])CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000079214173 185161601 /nfs/dbraw/zinc/16/16/01/185161601.db2.gz MVJYQHVUFVYJED-CQSZACIVSA-N 2 0 312.479 2.335 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247130324 282479132 /nfs/dbraw/zinc/47/91/32/282479132.db2.gz SGIZSLSUVNUDBC-BZUAXINKSA-N 2 0 312.502 2.135 10 0 DEAERP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181560265 539652881 /nfs/dbraw/zinc/65/28/81/539652881.db2.gz UAJIMOFGICXXCU-YESZJQIVSA-N 2 0 312.498 2.407 10 0 DEAERP CCOC1CC[NH+](CCCC[C@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070513776 190903065 /nfs/dbraw/zinc/90/30/65/190903065.db2.gz VMANTXHNHRLIRO-QGZVFWFLSA-N 2 0 300.487 2.407 10 0 DEAERP CCC[C@@](F)(C[NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000164036512 186146408 /nfs/dbraw/zinc/14/64/08/186146408.db2.gz FWYIOTDIIILELE-GFCCVEGCSA-N 2 0 321.238 2.131 10 0 DEAERP Cn1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000273045042 539801275 /nfs/dbraw/zinc/80/12/75/539801275.db2.gz JGSDACYNEDOADO-QXAKKESOSA-N 2 0 310.445 2.420 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000309730797 539878702 /nfs/dbraw/zinc/87/87/02/539878702.db2.gz OZRONCHGRXLOMA-DOTOQJQBSA-N 2 0 303.450 2.013 10 0 DEAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000073722472 191348803 /nfs/dbraw/zinc/34/88/03/191348803.db2.gz RYJCSUTUQLBDDT-HOTGVXAUSA-N 2 0 312.502 2.088 10 0 DEAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399548406 283153259 /nfs/dbraw/zinc/15/32/59/283153259.db2.gz BJLQOIJCTRWXBC-INMHGKMJSA-N 2 0 305.466 2.243 10 0 DEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000236909040 202064388 /nfs/dbraw/zinc/06/43/88/202064388.db2.gz NBSMPRBRRGRREV-IRXDYDNUSA-N 2 0 303.450 2.272 10 0 DEAERP COc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1Cl ZINC000086586347 192585491 /nfs/dbraw/zinc/58/54/91/192585491.db2.gz LMFYDUSFLBNDLI-HNNXBMFYSA-N 2 0 311.857 2.374 10 0 DEAERP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180153110 199123863 /nfs/dbraw/zinc/12/38/63/199123863.db2.gz WSKJKHXLBXQSFU-PKOBYXMFSA-N 2 0 315.461 2.280 10 0 DEAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180152948 199124228 /nfs/dbraw/zinc/12/42/28/199124228.db2.gz WSKJKHXLBXQSFU-IEBWSBKVSA-N 2 0 315.461 2.280 10 0 DEAERP COc1ccc([C@@H](C)C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185864923 199896772 /nfs/dbraw/zinc/89/67/72/199896772.db2.gz MGIDDMVTGPWWKY-DLBZAZTESA-N 2 0 319.493 2.414 10 0 DEAERP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000193311897 201027299 /nfs/dbraw/zinc/02/72/99/201027299.db2.gz DUJXDXNASYFUDA-CABCVRRESA-N 2 0 303.450 2.456 10 0 DEAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093190 240036576 /nfs/dbraw/zinc/03/65/76/240036576.db2.gz WKZQHXKMYYCTHI-HUUCEWRRSA-N 2 0 324.490 2.125 10 0 DEAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093191 240037016 /nfs/dbraw/zinc/03/70/16/240037016.db2.gz WKZQHXKMYYCTHI-LSDHHAIUSA-N 2 0 324.490 2.125 10 0 DEAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093188 240037206 /nfs/dbraw/zinc/03/72/06/240037206.db2.gz WKZQHXKMYYCTHI-CABCVRRESA-N 2 0 324.490 2.125 10 0 DEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631691 193082033 /nfs/dbraw/zinc/08/20/33/193082033.db2.gz MOSNPQKBXYFNMM-LSDHHAIUSA-N 2 0 303.454 2.277 10 0 DEAERP CC[N@H+](CC(=O)Nc1cccnc1Cl)C1CCC([NH3+])CC1 ZINC000091850937 193117507 /nfs/dbraw/zinc/11/75/07/193117507.db2.gz AUEFNMFRRQOKMV-UHFFFAOYSA-N 2 0 310.829 2.265 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629545120 367243549 /nfs/dbraw/zinc/24/35/49/367243549.db2.gz BNFOGDNERFRVNG-TWKWOARYSA-N 2 0 314.429 2.399 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000093374842 193240795 /nfs/dbraw/zinc/24/07/95/193240795.db2.gz YZPXCVTZXHDRGL-CQSZACIVSA-N 2 0 315.248 2.401 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1c(Cl)cccc1Cl ZINC000093374631 193241025 /nfs/dbraw/zinc/24/10/25/193241025.db2.gz AOLOBVKBPWOQIW-NSHDSACASA-N 2 0 301.221 2.226 10 0 DEAERP C[C@H](C[C@H]1CCCC[NH2+]1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000093486035 193258572 /nfs/dbraw/zinc/25/85/72/193258572.db2.gz AKHWIWNFDIADDE-HZSPNIEDSA-N 2 0 307.404 2.381 10 0 DEAERP CCOC(=O)[C@@]1([NH3+])CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596063 193271451 /nfs/dbraw/zinc/27/14/51/193271451.db2.gz VMZJFWRMDLBBBD-DGCLKSJQSA-N 2 0 310.360 2.321 10 0 DEAERP CC[NH2+][C@@H]1[C@H](C[N@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430083 193368258 /nfs/dbraw/zinc/36/82/58/193368258.db2.gz HKAUMPAKDNSOKI-UONOGXRCSA-N 2 0 300.487 2.261 10 0 DEAERP C[NH2+][C@H](CC1CC1)c1c(Br)cnn1CC[NH+](C)C ZINC000161502896 197499921 /nfs/dbraw/zinc/49/99/21/197499921.db2.gz MRAQURNFDNYLNZ-GFCCVEGCSA-N 2 0 315.259 2.268 10 0 DEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2Br)CC1 ZINC000019439084 182123116 /nfs/dbraw/zinc/12/31/16/182123116.db2.gz SSZRZESPXZXZSM-AWEZNQCLSA-N 2 0 312.255 2.086 10 0 DEAERP C[NH+](C)CCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000111130590 194393489 /nfs/dbraw/zinc/39/34/89/194393489.db2.gz BQJZMTBPCDMACQ-UHFFFAOYSA-N 2 0 312.845 2.134 10 0 DEAERP O=C1CC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347663 296324736 /nfs/dbraw/zinc/32/47/36/296324736.db2.gz IPTLPQXRFPRNSO-QZTJIDSGSA-N 2 0 321.509 2.491 10 0 DEAERP c1cc2c(cc1C[N@@H+]1CCS[C@@H]3COCC[C@H]31)C[NH2+]CC2 ZINC000564803591 292111723 /nfs/dbraw/zinc/11/17/23/292111723.db2.gz KGJPRVOUIBQCSX-IAGOWNOFSA-N 2 0 304.459 2.039 10 0 DEAERP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246370084 145100492 /nfs/dbraw/zinc/10/04/92/145100492.db2.gz GMBARYSWMSLSII-ZWKOTPCHSA-N 2 0 315.461 2.376 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000247461940 145137835 /nfs/dbraw/zinc/13/78/35/145137835.db2.gz ULSYNDXYHJTHQT-BRWVUGGUSA-N 2 0 324.513 2.135 10 0 DEAERP CC(C)[NH+](CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000247522686 145140442 /nfs/dbraw/zinc/14/04/42/145140442.db2.gz ZEZASMBXGIIOLP-JKSUJKDBSA-N 2 0 312.502 2.133 10 0 DEAERP OCC1([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248409390 145153022 /nfs/dbraw/zinc/15/30/22/145153022.db2.gz FXDGVNFCNHEOSI-OKZBNKHCSA-N 2 0 300.446 2.402 10 0 DEAERP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000252744180 145200934 /nfs/dbraw/zinc/20/09/34/145200934.db2.gz VXSAECIQRJLYNZ-GJZGRUSLSA-N 2 0 307.438 2.406 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261540004 145205900 /nfs/dbraw/zinc/20/59/00/145205900.db2.gz DMRFIDYTYFXQJU-QGZVFWFLSA-N 2 0 303.450 2.096 10 0 DEAERP CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549213 145206682 /nfs/dbraw/zinc/20/66/82/145206682.db2.gz OJPNJORIIPNBLE-QZTJIDSGSA-N 2 0 315.461 2.252 10 0 DEAERP Cc1ccc([C@H]([NH3+])C(=O)NC2CCN(c3ccccn3)CC2)cc1 ZINC000261609935 145210023 /nfs/dbraw/zinc/21/00/23/145210023.db2.gz DMZGPTXLMARLNL-SFHVURJKSA-N 2 0 324.428 2.175 10 0 DEAERP CC(C)[NH+]1CCC(C(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000261724253 145220699 /nfs/dbraw/zinc/22/06/99/145220699.db2.gz LXPVQAWNDNFUFH-UHFFFAOYSA-N 2 0 317.477 2.137 10 0 DEAERP CN(C[C@@]1(C)CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000261767705 145224364 /nfs/dbraw/zinc/22/43/64/145224364.db2.gz MBYFVUKKFYYYBH-IBGZPJMESA-N 2 0 316.493 2.020 10 0 DEAERP C[C@@H](CC(=O)N(CC[NH3+])CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000261774251 145225010 /nfs/dbraw/zinc/22/50/10/145225010.db2.gz RSJYHRMSFHTWQQ-FUHWJXTLSA-N 2 0 317.477 2.042 10 0 DEAERP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262324818 145276759 /nfs/dbraw/zinc/27/67/59/145276759.db2.gz FXRCLKIFNDVHKQ-YQVWRLOYSA-N 2 0 319.493 2.147 10 0 DEAERP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000360853586 147396911 /nfs/dbraw/zinc/39/69/11/147396911.db2.gz BCJCRIUSZQJLCC-CYBMUJFWSA-N 2 0 313.467 2.051 10 0 DEAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)(C)C ZINC000116566752 401854843 /nfs/dbraw/zinc/85/48/43/401854843.db2.gz FWKBSABWECXPGB-HZPDHXFCSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H]1C[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCN1C ZINC000123141918 402112641 /nfs/dbraw/zinc/11/26/41/402112641.db2.gz HPPJETFXQSHNBX-NCXUSEDFSA-N 2 0 324.557 2.206 10 0 DEAERP COc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123285991 402119667 /nfs/dbraw/zinc/11/96/67/402119667.db2.gz WAICJHOTXARACC-KGLIPLIRSA-N 2 0 305.422 2.048 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236765863 402381822 /nfs/dbraw/zinc/38/18/22/402381822.db2.gz JHIYHPZRPRLDAC-XIRDDKMYSA-N 2 0 307.482 2.288 10 0 DEAERP [NH3+][C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000238000320 402431069 /nfs/dbraw/zinc/43/10/69/402431069.db2.gz CVDDHFJUNJZSGR-KRWDZBQOSA-N 2 0 301.434 2.021 10 0 DEAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237078774 402394077 /nfs/dbraw/zinc/39/40/77/402394077.db2.gz PHOKPSAWWDVGER-QAETUUGQSA-N 2 0 307.482 2.240 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000246756388 402543961 /nfs/dbraw/zinc/54/39/61/402543961.db2.gz MLTNJHLGHKGBDC-GVDBMIGSSA-N 2 0 322.497 2.129 10 0 DEAERP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000179143254 402575741 /nfs/dbraw/zinc/57/57/41/402575741.db2.gz JOUIURYBQDOXNV-KRWDZBQOSA-N 2 0 315.461 2.109 10 0 DEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246406439 402529297 /nfs/dbraw/zinc/52/92/97/402529297.db2.gz LQPBHMDPEGZRNY-BRWVUGGUSA-N 2 0 324.513 2.088 10 0 DEAERP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246512824 402534728 /nfs/dbraw/zinc/53/47/28/402534728.db2.gz QPFIHTHLOVIRLV-YALNPMBYSA-N 2 0 303.450 2.264 10 0 DEAERP O=C(C1CC[NH+](CCC[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000179156551 402577138 /nfs/dbraw/zinc/57/71/38/402577138.db2.gz VTWYIFMHRKJUDZ-UHFFFAOYSA-N 2 0 307.482 2.197 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000249748058 402640094 /nfs/dbraw/zinc/64/00/94/402640094.db2.gz AJMXIMNFPBYHDT-IAGOWNOFSA-N 2 0 324.513 2.282 10 0 DEAERP CO[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182140812 402668460 /nfs/dbraw/zinc/66/84/60/402668460.db2.gz BAHSGLPXPZUSRG-APWZRJJASA-N 2 0 320.477 2.399 10 0 DEAERP COc1cc2c(cc1OC)CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000262003778 286258520 /nfs/dbraw/zinc/25/85/20/286258520.db2.gz UKBNCQFBDMBUEN-CQSZACIVSA-N 2 0 304.434 2.104 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC000174352965 402737933 /nfs/dbraw/zinc/73/79/33/402737933.db2.gz IVLXOJRRMSWYCK-KRWDZBQOSA-N 2 0 324.513 2.375 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000192760481 402748487 /nfs/dbraw/zinc/74/84/87/402748487.db2.gz YFOBZLHGKDMQHP-RTBURBONSA-N 2 0 323.525 2.030 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263304275 402756203 /nfs/dbraw/zinc/75/62/03/402756203.db2.gz XOWDTJPYYSUREB-CHWSQXEVSA-N 2 0 317.424 2.000 10 0 DEAERP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)(C)C ZINC000175014910 402771361 /nfs/dbraw/zinc/77/13/61/402771361.db2.gz CIJUUNDXAOTWPN-CVEARBPZSA-N 2 0 322.497 2.009 10 0 DEAERP c1ccc(C[N@H+]2CCCC[C@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000262361711 402724898 /nfs/dbraw/zinc/72/48/98/402724898.db2.gz IXPKAPKPTKCUDC-QGZVFWFLSA-N 2 0 300.450 2.228 10 0 DEAERP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736594 402813623 /nfs/dbraw/zinc/81/36/23/402813623.db2.gz GQAMZJSDMQBGGV-MRXNPFEDSA-N 2 0 309.498 2.345 10 0 DEAERP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736880 402813858 /nfs/dbraw/zinc/81/38/58/402813858.db2.gz RBYRHHSWSXMQMB-MRXNPFEDSA-N 2 0 307.482 2.195 10 0 DEAERP CCCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516112 402849676 /nfs/dbraw/zinc/84/96/76/402849676.db2.gz BVNHCMRWKMIRMB-HNNXBMFYSA-N 2 0 304.438 2.040 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C2)[nH+]1 ZINC000195516110 402849821 /nfs/dbraw/zinc/84/98/21/402849821.db2.gz BHLCDXQBJRXFCS-CQSZACIVSA-N 2 0 304.438 2.039 10 0 DEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333437322 403751323 /nfs/dbraw/zinc/75/13/23/403751323.db2.gz VNPDRXILBKQBRJ-MRXNPFEDSA-N 2 0 322.497 2.225 10 0 DEAERP COCCC1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCCCC1 ZINC000189077242 292306379 /nfs/dbraw/zinc/30/63/79/292306379.db2.gz OYINBPBNUVVSIT-KRWDZBQOSA-N 2 0 312.498 2.410 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000369879606 404259830 /nfs/dbraw/zinc/25/98/30/404259830.db2.gz BOMZDVZBMJAJQS-IAGOWNOFSA-N 2 0 322.497 2.034 10 0 DEAERP CCCCOC[C@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389840641 405039640 /nfs/dbraw/zinc/03/96/40/405039640.db2.gz NIBKOUGFMULDDD-QXAKKESOSA-N 2 0 320.477 2.274 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000390004749 405042516 /nfs/dbraw/zinc/04/25/16/405042516.db2.gz VVHFUMDZXPYKIS-NXHRZFHOSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000390004748 405042952 /nfs/dbraw/zinc/04/29/52/405042952.db2.gz VVHFUMDZXPYKIS-NJAFHUGGSA-N 2 0 315.461 2.013 10 0 DEAERP COC1([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC000453095480 405283594 /nfs/dbraw/zinc/28/35/94/405283594.db2.gz SNYCYFGJSNSBQL-OAHLLOKOSA-N 2 0 306.450 2.422 10 0 DEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC/C=C/c1ccccc1 ZINC000530641393 405837937 /nfs/dbraw/zinc/83/79/37/405837937.db2.gz HOTNSFVPFSYHFV-XYOKQWHBSA-N 2 0 317.477 2.432 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118544 406579355 /nfs/dbraw/zinc/57/93/55/406579355.db2.gz AKHSFJKQKXDBTQ-CRAIPNDOSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638306475 406687552 /nfs/dbraw/zinc/68/75/52/406687552.db2.gz CZBROMHKSHCRPU-YJBOKZPZSA-N 2 0 315.461 2.013 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000129028072 196012770 /nfs/dbraw/zinc/01/27/70/196012770.db2.gz FXNMBCUQKBWVBQ-CVEARBPZSA-N 2 0 312.502 2.136 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000133822594 196338805 /nfs/dbraw/zinc/33/88/05/196338805.db2.gz FYBSMNJMKRZHRA-DLBZAZTESA-N 2 0 324.513 2.090 10 0 DEAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121249346 424853859 /nfs/dbraw/zinc/85/38/59/424853859.db2.gz NBPRYOBBIIYJIZ-BBWFWOEESA-N 2 0 308.466 2.036 10 0 DEAERP C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000382769453 424910408 /nfs/dbraw/zinc/91/04/08/424910408.db2.gz ZQBKDVDNDUBQQC-APWZRJJASA-N 2 0 315.461 2.252 10 0 DEAERP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000390775603 424917899 /nfs/dbraw/zinc/91/78/99/424917899.db2.gz MRIDKQYILKLNCK-NVXWUHKLSA-N 2 0 303.450 2.013 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397509800 424921577 /nfs/dbraw/zinc/92/15/77/424921577.db2.gz MBSJCQGXLKGHOT-GOSISDBHSA-N 2 0 317.477 2.388 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404327775 424927168 /nfs/dbraw/zinc/92/71/68/424927168.db2.gz WWQUTZLZERHSQM-FUHWJXTLSA-N 2 0 317.477 2.484 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303208613 424892685 /nfs/dbraw/zinc/89/26/85/424892685.db2.gz XQQUKJDWEHMDID-OKZBNKHCSA-N 2 0 315.461 2.142 10 0 DEAERP O=C(NCC[NH2+]C1CCCCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333683692 268976483 /nfs/dbraw/zinc/97/64/83/268976483.db2.gz PAXUGRIDDCJRMD-UHFFFAOYSA-N 2 0 322.497 2.084 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000124619486 278025083 /nfs/dbraw/zinc/02/50/83/278025083.db2.gz QKYZJSOREIPEPQ-QZTJIDSGSA-N 3 0 322.541 2.009 10 0 DEAERP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000164534080 278040941 /nfs/dbraw/zinc/04/09/41/278040941.db2.gz BSKJYOFOTSVNAH-OCVGTWLNSA-N 2 0 304.434 2.317 10 0 DEAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262502528 278222422 /nfs/dbraw/zinc/22/24/22/278222422.db2.gz MDDRHNWWIQGGFR-INIZCTEOSA-N 2 0 307.482 2.242 10 0 DEAERP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263295482 279377335 /nfs/dbraw/zinc/37/73/35/279377335.db2.gz WGJZMJMLTZRLHG-ISTVAULSSA-N 2 0 303.233 2.094 10 0 DEAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261820070 300820604 /nfs/dbraw/zinc/82/06/04/300820604.db2.gz XUJAHPVOXHRSMX-GUYCJALGSA-N 2 0 305.397 2.318 10 0 DEAERP C[C@@]([NH3+])(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237362925 525743777 /nfs/dbraw/zinc/74/37/77/525743777.db2.gz IEDIVLMOUMLBLY-IBGZPJMESA-N 2 0 315.461 2.195 10 0 DEAERP C[N@@H+]1CC[C@@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261928917 536450087 /nfs/dbraw/zinc/45/00/87/536450087.db2.gz CBGWTMYXLSVOMI-SWLSCSKDSA-N 2 0 324.831 2.411 10 0 DEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262678357 535138370 /nfs/dbraw/zinc/13/83/70/535138370.db2.gz URCJTKWSGVGMJM-TWMKSMIVSA-N 2 0 307.482 2.001 10 0 DEAERP CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)CC2CC[NH2+]CC2)cc1 ZINC000262116391 535426016 /nfs/dbraw/zinc/42/60/16/535426016.db2.gz BMRDMZZMYYXGEW-HNNXBMFYSA-N 2 0 317.477 2.487 10 0 DEAERP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262646138 536033557 /nfs/dbraw/zinc/03/35/57/536033557.db2.gz KCLWWBRVBNKHEL-KSZLIROESA-N 2 0 315.461 2.285 10 0 DEAERP CCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000161262033 624881192 /nfs/dbraw/zinc/88/11/92/624881192.db2.gz KAWWZBDTKJYQOV-KRWDZBQOSA-N 2 0 318.465 2.107 10 0 DEAERP CC[C@H](CNC(=O)[C@H]([NH3+])[C@@H](C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000237074390 636552218 /nfs/dbraw/zinc/55/22/18/636552218.db2.gz BODAKCGCSAJPOB-BMGDILEWSA-N 2 0 317.477 2.313 10 0 DEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237153759 637291522 /nfs/dbraw/zinc/29/15/22/637291522.db2.gz UWQUUCRAKBBCME-DLBZAZTESA-N 2 0 303.450 2.094 10 0 DEAERP CN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381899182 685402318 /nfs/dbraw/zinc/40/23/18/685402318.db2.gz VOSVTHJSBDRPNN-KRWDZBQOSA-N 2 0 317.477 2.498 10 0 DEAERP Cc1cc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc(N)[nH+]1 ZINC000382910813 685405923 /nfs/dbraw/zinc/40/59/23/685405923.db2.gz FQIZGOVBJZYKBD-UHFFFAOYSA-N 2 0 311.433 2.298 10 0 DEAERP CCOC(=O)[C@H](F)[C@@H](C)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000134747507 684229639 /nfs/dbraw/zinc/22/96/39/684229639.db2.gz WNNZOVQBUXHFHT-IAQYHMDHSA-N 2 0 314.376 2.267 10 0 DEAERP CC1(C)COC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397610166 790205496 /nfs/dbraw/zinc/20/54/96/790205496.db2.gz YYXOIFXIJXJLOM-QGZVFWFLSA-N 2 0 318.461 2.028 10 0 DEAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000713040408 792212410 /nfs/dbraw/zinc/21/24/10/792212410.db2.gz FTIAYZPMTTXYSH-INIZCTEOSA-N 2 0 305.466 2.244 10 0 DEAERP CN(Cc1ccc(N)nn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000703917448 1086567363 /nfs/dbraw/zinc/56/73/63/1086567363.db2.gz SJLJJHNTSAYVAI-INIZCTEOSA-N 2 0 311.433 2.013 10 0 DEAERP OCc1c[nH+]ccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705944579 1086628085 /nfs/dbraw/zinc/62/80/85/1086628085.db2.gz IYCYLRPOSQPVLA-HDICACEKSA-N 2 0 309.413 2.142 10 0 DEAERP C[N@H+](CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)Cc1ccccc1 ZINC000711337047 1087070537 /nfs/dbraw/zinc/07/05/37/1087070537.db2.gz UYQNZDRGLCYYBS-MJGOQNOKSA-N 2 0 315.461 2.157 10 0 DEAERP [NH3+]C[C@@H]1CC[C@H](C[NH2+]Cc2sccc2Br)O1 ZINC000087575939 185228745 /nfs/dbraw/zinc/22/87/45/185228745.db2.gz SFXAJSVJTQSGCQ-DTWKUNHWSA-N 2 0 305.241 2.107 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)[nH+]1 ZINC000181712819 199342388 /nfs/dbraw/zinc/34/23/88/199342388.db2.gz HTUYBEXSBLBPAT-NEPJUHHUSA-N 2 0 303.328 2.047 10 0 DEAERP C[NH+](C)Cc1ccc2c(c1)[C@@H](C[NH3+])N(Cc1nccs1)C2 ZINC000071683821 191006334 /nfs/dbraw/zinc/00/63/34/191006334.db2.gz MCDFWKKOGLZRCU-OAHLLOKOSA-N 2 0 302.447 2.220 10 0 DEAERP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)nc(N)[nH+]1 ZINC000072152421 191057406 /nfs/dbraw/zinc/05/74/06/191057406.db2.gz SZHQQYBEMAEHLW-KRWDZBQOSA-N 2 0 301.438 2.070 10 0 DEAERP CC[NH2+][C@@H](Cc1ccc(CC)s1)C[C@H]1C[N@H+](C)CCN1C ZINC000149690341 186052266 /nfs/dbraw/zinc/05/22/66/186052266.db2.gz IHSIRDAWDRHFBN-CABCVRRESA-N 2 0 309.523 2.467 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309678307 539878033 /nfs/dbraw/zinc/87/80/33/539878033.db2.gz YCLTYAZGPMXEEM-RTBURBONSA-N 3 0 319.493 2.242 10 0 DEAERP CCC(CC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000073431487 191316405 /nfs/dbraw/zinc/31/64/05/191316405.db2.gz KETBENFOUSJIKA-MRXNPFEDSA-N 2 0 312.502 2.233 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382730908 540123972 /nfs/dbraw/zinc/12/39/72/540123972.db2.gz BANYIKHONHKCKN-WMZOPIPTSA-N 2 0 317.477 2.483 10 0 DEAERP Cc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3CO)CC2)cc1C ZINC000169789477 355984060 /nfs/dbraw/zinc/98/40/60/355984060.db2.gz MSBJWKOCPSXQCK-GOSISDBHSA-N 2 0 302.462 2.440 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000175592999 283170551 /nfs/dbraw/zinc/17/05/51/283170551.db2.gz MEJXSEKFAQVZCM-MQVJKMGUSA-N 2 0 310.486 2.033 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)[nH]c1C ZINC000585694003 357347098 /nfs/dbraw/zinc/34/70/98/357347098.db2.gz FYVGVRKSMPYNNH-MRXNPFEDSA-N 2 0 320.481 2.120 10 0 DEAERP O[C@@H](C[NH2+]CCSCc1ccccc1)C[NH+]1CCCCC1 ZINC000193903899 201141812 /nfs/dbraw/zinc/14/18/12/201141812.db2.gz AXWVSARBXVCOKK-KRWDZBQOSA-N 2 0 308.491 2.356 10 0 DEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Br)cc1 ZINC000091313765 193037753 /nfs/dbraw/zinc/03/77/53/193037753.db2.gz JCQJCHQVZPIGOC-CQSZACIVSA-N 2 0 313.239 2.259 10 0 DEAERP C[NH2+][C@H]1[C@@H](C[N@H+](CCCOC)CCOC)CCCC1(C)C ZINC000094287542 193356221 /nfs/dbraw/zinc/35/62/21/193356221.db2.gz KRGSOASSEZVGPR-CVEARBPZSA-N 2 0 300.487 2.386 10 0 DEAERP C[NH+](C)C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334271 193360225 /nfs/dbraw/zinc/36/02/25/193360225.db2.gz SSJJCBWURZHESA-NSHDSACASA-N 2 0 302.344 2.090 10 0 DEAERP [NH3+]C[C@H](Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020398431 182214380 /nfs/dbraw/zinc/21/43/80/182214380.db2.gz OJFYIPUWLFPYCB-FQEVSTJZSA-N 2 0 309.457 2.374 10 0 DEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](O)COC1CCCC1 ZINC000037853189 182932467 /nfs/dbraw/zinc/93/24/67/182932467.db2.gz URXPEVSKELYJJS-HOTGVXAUSA-N 2 0 300.487 2.407 10 0 DEAERP CCC[N@@H+]1CCc2nc(C(C)(C)N3CC[NH2+]CC3)sc2C1 ZINC000109472926 194267223 /nfs/dbraw/zinc/26/72/23/194267223.db2.gz ZLIFPUIVUGXVQA-UHFFFAOYSA-N 2 0 308.495 2.052 10 0 DEAERP CC(C)C[C@@H](C)OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071523 184204406 /nfs/dbraw/zinc/20/44/06/184204406.db2.gz XISCAGMBMMCTHF-BRWVUGGUSA-N 2 0 300.487 2.120 10 0 DEAERP C[NH+]1CCN([C@H](C[NH3+])c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000159275705 197341005 /nfs/dbraw/zinc/34/10/05/197341005.db2.gz XCODERNEAPBHJN-CYBMUJFWSA-N 2 0 305.319 2.092 10 0 DEAERP Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(C(N)=S)c(C)[nH+]1 ZINC000156677339 197133411 /nfs/dbraw/zinc/13/34/11/197133411.db2.gz RBJCTILJTZIXTI-ZDUSSCGKSA-N 2 0 304.463 2.007 10 0 DEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130988 /nfs/dbraw/zinc/13/09/88/133130988.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 2 0 323.525 2.365 10 0 DEAERP CC[C@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000360468116 133184344 /nfs/dbraw/zinc/18/43/44/133184344.db2.gz UFNSNAQLMOTEJD-LPHOPBHVSA-N 2 0 317.477 2.403 10 0 DEAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249865968 145191103 /nfs/dbraw/zinc/19/11/03/145191103.db2.gz HXCOHXJBWUNSLI-HOTGVXAUSA-N 2 0 318.465 2.381 10 0 DEAERP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249869251 145191163 /nfs/dbraw/zinc/19/11/63/145191163.db2.gz IZNZTKDCPARKBS-HIFRSBDPSA-N 2 0 304.438 2.039 10 0 DEAERP CCOc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891352 145238277 /nfs/dbraw/zinc/23/82/77/145238277.db2.gz VOKRWOYEKRQYBH-BBRMVZONSA-N 2 0 319.449 2.472 10 0 DEAERP CC[NH+]1CCN(c2ccccc2CN2CCC[C@H]([NH2+]C)C2)CC1 ZINC000261931488 145243647 /nfs/dbraw/zinc/24/36/47/145243647.db2.gz CVYDHAYLXXINDD-SFHVURJKSA-N 2 0 316.493 2.012 10 0 DEAERP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261961536 145246800 /nfs/dbraw/zinc/24/68/00/145246800.db2.gz PPKQLHPPTDAADW-WBQNTZJQSA-N 2 0 320.408 2.396 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C12CCCC2 ZINC000262017813 145253565 /nfs/dbraw/zinc/25/35/65/145253565.db2.gz WIILEQGQYQIVBS-DFBDCSAJSA-N 2 0 322.493 2.471 10 0 DEAERP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262053800 145257879 /nfs/dbraw/zinc/25/78/79/145257879.db2.gz QMKPNRFOEJVLHA-SFHVURJKSA-N 3 0 302.466 2.229 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262663483 145299270 /nfs/dbraw/zinc/29/92/70/145299270.db2.gz HLLCWGCGRHXGDV-BBWFWOEESA-N 2 0 307.482 2.145 10 0 DEAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000360853588 147397022 /nfs/dbraw/zinc/39/70/22/147397022.db2.gz BCJCRIUSZQJLCC-ZDUSSCGKSA-N 2 0 313.467 2.051 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC12CCC2)c1ccccc1 ZINC000373103108 148211049 /nfs/dbraw/zinc/21/10/49/148211049.db2.gz DJCQICWBVQZRBN-QGZVFWFLSA-N 2 0 315.461 2.424 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCCCC[NH+](C)C ZINC000113604798 401784014 /nfs/dbraw/zinc/78/40/14/401784014.db2.gz HXDHRMLTGBGBAI-DLBZAZTESA-N 2 0 324.513 2.377 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115415288 401827171 /nfs/dbraw/zinc/82/71/71/401827171.db2.gz HHOVHTAAWPBKFR-QGZVFWFLSA-N 2 0 321.440 2.378 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@H](C)C1 ZINC000079461750 401872810 /nfs/dbraw/zinc/87/28/10/401872810.db2.gz USZKFSSINCMBNZ-VKJFTORMSA-N 2 0 321.509 2.438 10 0 DEAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000119162176 401929900 /nfs/dbraw/zinc/92/99/00/401929900.db2.gz UFPCJNZNFQNTMR-OAHLLOKOSA-N 2 0 318.527 2.111 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000152373905 402092835 /nfs/dbraw/zinc/09/28/35/402092835.db2.gz HRGUUVRGYQXOKK-GVDBMIGSSA-N 2 0 324.513 2.231 10 0 DEAERP CC[N@H+](CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000101977092 402160059 /nfs/dbraw/zinc/16/00/59/402160059.db2.gz BNAUXYQEQVWPHC-KRWDZBQOSA-N 2 0 318.465 2.073 10 0 DEAERP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185012237 402316703 /nfs/dbraw/zinc/31/67/03/402316703.db2.gz ZTKBQPATDFHBFF-OAHLLOKOSA-N 2 0 317.437 2.381 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000176971197 402355330 /nfs/dbraw/zinc/35/53/30/402355330.db2.gz JBWAIKJSYXCXRX-KRWDZBQOSA-N 2 0 303.450 2.305 10 0 DEAERP C[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237548175 402412130 /nfs/dbraw/zinc/41/21/30/402412130.db2.gz BTGHOKHQHDSHQP-MRXNPFEDSA-N 2 0 321.509 2.347 10 0 DEAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237945253 402427105 /nfs/dbraw/zinc/42/71/05/402427105.db2.gz HJTAZHRHBKCOPX-HZPDHXFCSA-N 2 0 307.482 2.419 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245238143 402452938 /nfs/dbraw/zinc/45/29/38/402452938.db2.gz YGBZVBILLZITTB-QZTJIDSGSA-N 2 0 315.461 2.252 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246197588 402517742 /nfs/dbraw/zinc/51/77/42/402517742.db2.gz DPLHDTFAWHGAPA-OKZBNKHCSA-N 2 0 315.461 2.094 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246335265 402526043 /nfs/dbraw/zinc/52/60/43/402526043.db2.gz DEOIXQBACOXTDU-XHSDSOJGSA-N 2 0 312.502 2.088 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000246553883 402536649 /nfs/dbraw/zinc/53/66/49/402536649.db2.gz YSTNGUSBCVTXCM-TWMKSMIVSA-N 2 0 324.513 2.231 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)[C@H](C)C1 ZINC000180515622 402618752 /nfs/dbraw/zinc/61/87/52/402618752.db2.gz JVLCSKUGGZLCFM-KFWWJZLASA-N 2 0 305.470 2.036 10 0 DEAERP C[C@H]1C[C@@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000173278415 402690517 /nfs/dbraw/zinc/69/05/17/402690517.db2.gz UTYDXSMHXXUJFT-ZFWWWQNUSA-N 2 0 324.513 2.420 10 0 DEAERP CC(C)OCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569194 402700622 /nfs/dbraw/zinc/70/06/22/402700622.db2.gz CFZNCLRPHCYKHJ-JWTNVVGKSA-N 2 0 309.498 2.044 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775550 402756829 /nfs/dbraw/zinc/75/68/29/402756829.db2.gz DXKSLLPEGUZQFI-RHSMWYFYSA-N 2 0 321.440 2.104 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000262086950 402722021 /nfs/dbraw/zinc/72/20/21/402722021.db2.gz HPJDENXZVWLJHQ-BRWVUGGUSA-N 2 0 303.450 2.313 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)[nH+]1 ZINC000175252527 402791890 /nfs/dbraw/zinc/79/18/90/402791890.db2.gz DJTYJQNZLRTCEI-HZPDHXFCSA-N 2 0 316.449 2.133 10 0 DEAERP CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000194740249 402813743 /nfs/dbraw/zinc/81/37/43/402813743.db2.gz UJJVTDYUPSEONL-ZWKOTPCHSA-N 2 0 317.477 2.355 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000194146156 402785540 /nfs/dbraw/zinc/78/55/40/402785540.db2.gz IMERHUBMEKWVMG-MRXNPFEDSA-N 2 0 324.513 2.425 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000333358958 403733670 /nfs/dbraw/zinc/73/36/70/403733670.db2.gz KUBZDLAYYJZTRV-BZUAXINKSA-N 2 0 310.486 2.018 10 0 DEAERP c1sc(-c2ccccc2)nc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780150 404733210 /nfs/dbraw/zinc/73/32/10/404733210.db2.gz KPZVOWYASNQRDB-UHFFFAOYSA-N 2 0 316.474 2.195 10 0 DEAERP CC1=CC[NH+](CCNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358191391 404755589 /nfs/dbraw/zinc/75/55/89/404755589.db2.gz PBOVBVVHYKYFBL-DLBZAZTESA-N 2 0 322.497 2.058 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000358193194 404755876 /nfs/dbraw/zinc/75/58/76/404755876.db2.gz QGZFCSLOBFLNNK-INIZCTEOSA-N 2 0 324.513 2.304 10 0 DEAERP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000396334511 405055958 /nfs/dbraw/zinc/05/59/58/405055958.db2.gz TUUCSBHWNWNPQI-NXHRZFHOSA-N 2 0 315.461 2.094 10 0 DEAERP C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000396343976 405057040 /nfs/dbraw/zinc/05/70/40/405057040.db2.gz ZMEPIDRYPRPECW-ZLPCBKJTSA-N 2 0 315.461 2.237 10 0 DEAERP C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400452318 405063256 /nfs/dbraw/zinc/06/32/56/405063256.db2.gz RLDZUHXAJAAYJM-WDSOQIARSA-N 2 0 301.478 2.486 10 0 DEAERP C[NH+](C)CCn1c2ccccc2n(CC(=O)c2ccccc2)c1=N ZINC000367837772 405168862 /nfs/dbraw/zinc/16/88/62/405168862.db2.gz UKHFFLPIBVUUSJ-UHFFFAOYSA-N 2 0 322.412 2.367 10 0 DEAERP C[NH2+][C@H](C)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851512 405713263 /nfs/dbraw/zinc/71/32/63/405713263.db2.gz NHNFTPHXOCRCSN-WBVHZDCISA-N 2 0 303.450 2.155 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638835522 405703136 /nfs/dbraw/zinc/70/31/36/405703136.db2.gz MELRNTSSYHAFKV-SUMDDJOVSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@H](C[NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852006 405715360 /nfs/dbraw/zinc/71/53/60/405715360.db2.gz SPYIDBHGXNHMKB-NVXWUHKLSA-N 2 0 303.450 2.142 10 0 DEAERP C[C@@H](C[NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852005 405715526 /nfs/dbraw/zinc/71/55/26/405715526.db2.gz SPYIDBHGXNHMKB-DOTOQJQBSA-N 2 0 303.450 2.142 10 0 DEAERP C[N@H+](CCNC(=O)N1CCC(c2ncc[nH]2)CC1)C1CCCC1 ZINC000520616892 406306723 /nfs/dbraw/zinc/30/67/23/406306723.db2.gz ZNXYNRULRSLIQX-UHFFFAOYSA-N 2 0 319.453 2.173 10 0 DEAERP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]21 ZINC000634997374 406390671 /nfs/dbraw/zinc/39/06/71/406390671.db2.gz JTXBSQNFAKWGTE-CFVMTHIKSA-N 2 0 307.235 2.429 10 0 DEAERP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000638300414 406683517 /nfs/dbraw/zinc/68/35/17/406683517.db2.gz FORDJWKEZUQISA-WBVHZDCISA-N 2 0 305.466 2.387 10 0 DEAERP CCC[NH2+][C@@H](CC[NH+]1CCC(OCCO)CC1)C(C)(C)C ZINC000129395653 196044650 /nfs/dbraw/zinc/04/46/50/196044650.db2.gz UVLGBOSBVWYMPW-INIZCTEOSA-N 2 0 300.487 2.264 10 0 DEAERP C[N@@H+]1CCC[C@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000134376005 196384014 /nfs/dbraw/zinc/38/40/14/196384014.db2.gz YOHUSHAPZBUHGU-AWEZNQCLSA-N 2 0 323.238 2.048 10 0 DEAERP C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000381042463 424908487 /nfs/dbraw/zinc/90/84/87/424908487.db2.gz DZIOFGZBLOIJDI-HKUYNNGSSA-N 2 0 315.461 2.157 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390750913 424917866 /nfs/dbraw/zinc/91/78/66/424917866.db2.gz SIIXPVXWJJQBFX-DLBZAZTESA-N 2 0 303.450 2.141 10 0 DEAERP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390777115 424917926 /nfs/dbraw/zinc/91/79/26/424917926.db2.gz OBPKHNKXGSURSA-RDJZCZTQSA-N 2 0 303.450 2.142 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000407360410 424932764 /nfs/dbraw/zinc/93/27/64/424932764.db2.gz HEJSZZPGMDHDAC-JLSDUUJJSA-N 2 0 315.461 2.154 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309593268 424893299 /nfs/dbraw/zinc/89/32/99/424893299.db2.gz PJGAUINUXJEDEE-IAGOWNOFSA-N 2 0 303.450 2.141 10 0 DEAERP [NH3+]C1CCC([NH2+]CCCOCCOCc2ccccc2)CC1 ZINC000390493328 269097069 /nfs/dbraw/zinc/09/70/69/269097069.db2.gz AWOAKOGARAWVJC-UHFFFAOYSA-N 2 0 306.450 2.469 10 0 DEAERP C(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000343703238 275391786 /nfs/dbraw/zinc/39/17/86/275391786.db2.gz GLJQHRCFRKYCHN-YRXWBPOGSA-N 2 0 322.493 2.378 10 0 DEAERP CCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261783627 276062106 /nfs/dbraw/zinc/06/21/06/276062106.db2.gz BOEMMJLWFXWMBU-ZMSDIMECSA-N 2 0 303.450 2.408 10 0 DEAERP CC(C)C1CCC([NH+]2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)CC1 ZINC000193321426 278708855 /nfs/dbraw/zinc/70/88/55/278708855.db2.gz OTBHXIZBEZCOAY-KLAILNCOSA-N 2 0 309.498 2.473 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000112881634 279129603 /nfs/dbraw/zinc/12/96/03/279129603.db2.gz FUVZWEQIFNOUGK-QZTJIDSGSA-N 2 0 319.493 2.252 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176227107 279325472 /nfs/dbraw/zinc/32/54/72/279325472.db2.gz GRCHONBKMLJNFW-HOTGVXAUSA-N 2 0 312.502 2.088 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C2)[nH+]1 ZINC000249891744 281246078 /nfs/dbraw/zinc/24/60/78/281246078.db2.gz QPNNKEXYTSZWRO-CVEARBPZSA-N 2 0 318.465 2.285 10 0 DEAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000237954227 295321790 /nfs/dbraw/zinc/32/17/90/295321790.db2.gz ZMBTXHUWTAIZGF-YESZJQIVSA-N 2 0 307.482 2.228 10 0 DEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000262405895 300399074 /nfs/dbraw/zinc/39/90/74/300399074.db2.gz RQYGIBSHTVORRV-XSLAGTTESA-N 2 0 321.509 2.488 10 0 DEAERP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1(C)C ZINC000583394841 332384934 /nfs/dbraw/zinc/38/49/34/332384934.db2.gz TULWXAFLMQYHDG-UHFFFAOYSA-N 2 0 315.461 2.449 10 0 DEAERP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000237870278 527413252 /nfs/dbraw/zinc/41/32/52/527413252.db2.gz ZESMRSPMDOCRHN-MSOLQXFVSA-N 2 0 315.461 2.416 10 0 DEAERP CCC(CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000261883794 535103711 /nfs/dbraw/zinc/10/37/11/535103711.db2.gz SBOWHWGMOCKIKW-NVXWUHKLSA-N 2 0 309.498 2.393 10 0 DEAERP CN(C(=O)CCCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309716425 625628839 /nfs/dbraw/zinc/62/88/39/625628839.db2.gz MAXXWRSCXHITFX-KRWDZBQOSA-N 2 0 303.450 2.238 10 0 DEAERP Cc1cc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000382913661 685406788 /nfs/dbraw/zinc/40/67/88/685406788.db2.gz IRAPGQZTNFPMEO-HNNXBMFYSA-N 2 0 311.433 2.298 10 0 DEAERP Cc1nocc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886029121 691987182 /nfs/dbraw/zinc/98/71/82/691987182.db2.gz QVJINKIKGRYHMO-QGZVFWFLSA-N 2 0 316.405 2.093 10 0 DEAERP C[C@@H]([NH2+]Cc1cn(C)nc1Br)C1CC[NH+](C)CC1 ZINC000712427141 792187760 /nfs/dbraw/zinc/18/77/60/792187760.db2.gz VYPGTEDJSAFAHQ-SNVBAGLBSA-N 2 0 315.259 2.003 10 0 DEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000715571676 792483913 /nfs/dbraw/zinc/48/39/13/792483913.db2.gz OZZITDYIHJHCGB-JLAWEPINSA-N 2 0 320.477 2.417 10 0 DEAERP OC1CC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638695 792983076 /nfs/dbraw/zinc/98/30/76/792983076.db2.gz PUYHTDDGTYRZBK-VOUKYHDCSA-N 2 0 300.446 2.400 10 0 DEAERP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000711426191 1081279361 /nfs/dbraw/zinc/27/93/61/1081279361.db2.gz QYJXOZLAWSJDMF-GASCZTMLSA-N 2 0 311.470 2.365 10 0 DEAERP OC1(CC[NH2+][C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717966164 1081860522 /nfs/dbraw/zinc/86/05/22/1081860522.db2.gz LNSROTKBRBKPIH-KRWDZBQOSA-N 2 0 320.502 2.499 10 0 DEAERP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711250970 1087036175 /nfs/dbraw/zinc/03/61/75/1087036175.db2.gz OSNPMDRUGFTVEL-IAGOWNOFSA-N 2 0 315.461 2.013 10 0 DEAERP [NH3+]C[C@@H]1CC[C@@H](C[NH2+]Cc2sccc2Br)O1 ZINC000087575938 185228603 /nfs/dbraw/zinc/22/86/03/185228603.db2.gz SFXAJSVJTQSGCQ-IUCAKERBSA-N 2 0 305.241 2.107 10 0 DEAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000093286837 282267125 /nfs/dbraw/zinc/26/71/25/282267125.db2.gz MWLYAIFBTRAMNH-OCCSQVGLSA-N 2 0 310.486 2.078 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000181704512 539652724 /nfs/dbraw/zinc/65/27/24/539652724.db2.gz GNIDFDJYXUPLAY-CRAIPNDOSA-N 2 0 305.441 2.426 10 0 DEAERP C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[C@H]1C[N@H+](C)CCN1C ZINC000149584181 186051046 /nfs/dbraw/zinc/05/10/46/186051046.db2.gz MJRSPINNRPJKBO-CABCVRRESA-N 2 0 313.848 2.246 10 0 DEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000152425360 186070951 /nfs/dbraw/zinc/07/09/51/186070951.db2.gz PTUALORBLAITFH-DLBZAZTESA-N 2 0 324.513 2.090 10 0 DEAERP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCSC)[NH+]1CCCC1 ZINC000164388571 186158080 /nfs/dbraw/zinc/15/80/80/186158080.db2.gz SQBAFFZUESDSRJ-LSDHHAIUSA-N 2 0 315.527 2.084 10 0 DEAERP C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1n1ccnc1 ZINC000183904224 186229290 /nfs/dbraw/zinc/22/92/90/186229290.db2.gz GSGKCQJLGWXWQX-CZUORRHYSA-N 2 0 313.405 2.067 10 0 DEAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323787659 539906183 /nfs/dbraw/zinc/90/61/83/539906183.db2.gz FVBAGPSMCUBEAZ-MSOLQXFVSA-N 2 0 315.461 2.096 10 0 DEAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000333842868 539973516 /nfs/dbraw/zinc/97/35/16/539973516.db2.gz OOEWCOWLSVITGE-GVDBMIGSSA-N 2 0 322.497 2.164 10 0 DEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382712636 540123408 /nfs/dbraw/zinc/12/34/08/540123408.db2.gz WKYCSJGGABMNQV-IEBWSBKVSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404312074 540144926 /nfs/dbraw/zinc/14/49/26/540144926.db2.gz LXFCGJSHCVOSFX-OWCLPIDISA-N 2 0 317.477 2.481 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000157745879 355956533 /nfs/dbraw/zinc/95/65/33/355956533.db2.gz ZQOVGWPSHFFRLU-INIZCTEOSA-N 2 0 324.513 2.140 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000184935737 356199615 /nfs/dbraw/zinc/19/96/15/356199615.db2.gz AXLMHIWOZUMYRE-HZPDHXFCSA-N 2 0 310.486 2.034 10 0 DEAERP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400420277 283156484 /nfs/dbraw/zinc/15/64/84/283156484.db2.gz WSQOZPWTOUGZEY-LPHOPBHVSA-N 3 0 301.478 2.486 10 0 DEAERP CC(C)[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381616997 356671994 /nfs/dbraw/zinc/67/19/94/356671994.db2.gz ZGSOJPMGACQASU-KRWDZBQOSA-N 2 0 303.450 2.107 10 0 DEAERP C[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000379658859 356667986 /nfs/dbraw/zinc/66/79/86/356667986.db2.gz XSGYGXKOGRKCRT-PKOBYXMFSA-N 2 0 315.461 2.299 10 0 DEAERP C[C@@H]([NH3+])CC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000261877568 296016768 /nfs/dbraw/zinc/01/67/68/296016768.db2.gz SMBOTDHHUAIQCL-RHSMWYFYSA-N 2 0 317.477 2.313 10 0 DEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000195271169 201371532 /nfs/dbraw/zinc/37/15/32/201371532.db2.gz UBZMQMCAGLSBMB-LJQANCHMSA-N 2 0 316.493 2.321 10 0 DEAERP CC[N@H+](CC(C)(C)O)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000092983388 193191161 /nfs/dbraw/zinc/19/11/61/193191161.db2.gz IYSFFOJYIQGFDX-QGZVFWFLSA-N 2 0 300.487 2.264 10 0 DEAERP CCC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@H+](CC)CCOCC ZINC000093597919 193273335 /nfs/dbraw/zinc/27/33/35/193273335.db2.gz KKMINXWJJBEIHO-IAGOWNOFSA-N 2 0 300.487 2.266 10 0 DEAERP C[N@@H+]1CCCC[C@H]1COc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334538 193360649 /nfs/dbraw/zinc/36/06/49/193360649.db2.gz XWPBDVCKOPGOHU-NSHDSACASA-N 2 0 303.328 2.422 10 0 DEAERP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)CC1CC[NH2+]CC1 ZINC000094024571 193339912 /nfs/dbraw/zinc/33/99/12/193339912.db2.gz VOOGYXHQCHGBEE-UHFFFAOYSA-N 2 0 313.804 2.349 10 0 DEAERP C[NH2+][C@H]1[C@H](C[N@H+](CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428311 193368478 /nfs/dbraw/zinc/36/84/78/193368478.db2.gz GIMXRTRFTNLNGU-GJZGRUSLSA-N 2 0 300.487 2.382 10 0 DEAERP CCC[NH2+][C@@H]1[C@@H](C[N@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428444 193369061 /nfs/dbraw/zinc/36/90/61/193369061.db2.gz KDRUVYKKDIOFLY-HUUCEWRRSA-N 2 0 300.487 2.263 10 0 DEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000019258711 182112013 /nfs/dbraw/zinc/11/20/13/182112013.db2.gz ODEZIZHDHPDLPO-AWEZNQCLSA-N 2 0 312.255 2.086 10 0 DEAERP CC[NH+]1CCN(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000021518283 182277885 /nfs/dbraw/zinc/27/78/85/182277885.db2.gz AUYSPNPUYSYYMX-CQSZACIVSA-N 2 0 301.356 2.343 10 0 DEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000458462186 248320929 /nfs/dbraw/zinc/32/09/29/248320929.db2.gz PWXPIVIARGDAHO-QGZVFWFLSA-N 2 0 324.513 2.234 10 0 DEAERP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000104898379 194051227 /nfs/dbraw/zinc/05/12/27/194051227.db2.gz XZHYGNHESSDRKV-IAGOWNOFSA-N 2 0 303.450 2.232 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105215331 194085244 /nfs/dbraw/zinc/08/52/44/194085244.db2.gz CYIIOYQKAVLOLW-UHFFFAOYSA-N 2 0 324.513 2.282 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105125268 284760110 /nfs/dbraw/zinc/76/01/10/284760110.db2.gz ZZQPUBVHQQBURH-IRXDYDNUSA-N 2 0 324.513 2.377 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)C1C[NH2+]C1)c1ccccc1Cl ZINC000263311861 284812810 /nfs/dbraw/zinc/81/28/10/284812810.db2.gz PJMSNKVXJVUTPO-OAHLLOKOSA-N 2 0 309.841 2.059 10 0 DEAERP Cc1nc(N2CC[C@H]([NH+]3CCCC3)C2)sc1C[NH2+]C1CC1 ZINC000110275632 194318875 /nfs/dbraw/zinc/31/88/75/194318875.db2.gz DNVYNFKCRQPIIH-AWEZNQCLSA-N 2 0 306.479 2.378 10 0 DEAERP C[NH+](C)CCC[N@H+](C)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000111130587 194393803 /nfs/dbraw/zinc/39/38/03/194393803.db2.gz BIIFABOAQJGPQS-UHFFFAOYSA-N 2 0 312.845 2.134 10 0 DEAERP CCC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000062899764 184258924 /nfs/dbraw/zinc/25/89/24/184258924.db2.gz JDSXIPVUYCEWNT-BBRMVZONSA-N 2 0 309.479 2.247 10 0 DEAERP CCCc1nc(N2CCC[N@@H+]3CCC[C@@H]3C2)sc1C[NH2+]C ZINC000062942725 184262172 /nfs/dbraw/zinc/26/21/72/184262172.db2.gz YOKHONUOPBVMHE-CYBMUJFWSA-N 2 0 308.495 2.490 10 0 DEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000062964749 184262931 /nfs/dbraw/zinc/26/29/31/184262931.db2.gz OAIFBEZGTFGTFK-FZMZJTMJSA-N 2 0 301.356 2.341 10 0 DEAERP C[NH2+]Cc1ccc(Br)cc1N1CC[C@H]([NH+](C)C)C1 ZINC000062967124 184263266 /nfs/dbraw/zinc/26/32/66/184263266.db2.gz ICPRRDKFKROPRE-ZDUSSCGKSA-N 2 0 312.255 2.309 10 0 DEAERP C[C@H](CC(N)=[NH2+])[N@H+](C)CCOc1ccc(Br)cc1 ZINC000063092285 184270195 /nfs/dbraw/zinc/27/01/95/184270195.db2.gz QSEPURNCHYPJLN-SNVBAGLBSA-N 2 0 314.227 2.474 10 0 DEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cc(F)cc(C(F)(F)F)c1 ZINC000159291609 197343447 /nfs/dbraw/zinc/34/34/47/197343447.db2.gz GODCDFXQOZAMDT-ZDUSSCGKSA-N 2 0 307.335 2.338 10 0 DEAERP CCC[NH2+][C@H](CC[NH+](C)C)Cc1c(Cl)c(CC)nn1C ZINC000158724389 197297285 /nfs/dbraw/zinc/29/72/85/197297285.db2.gz PDTUQHXGFGSXLF-GFCCVEGCSA-N 2 0 300.878 2.498 10 0 DEAERP C[N@@H+]1CC[C@H](n2c(N)[nH+]c3cc(F)c(Br)cc32)C1 ZINC000158385619 197267275 /nfs/dbraw/zinc/26/72/75/197267275.db2.gz ORXYSKVZJVWMKX-ZETCQYMHSA-N 2 0 313.174 2.397 10 0 DEAERP CCC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@H+](C)CCOC(C)C ZINC000157769551 197213951 /nfs/dbraw/zinc/21/39/51/197213951.db2.gz HWCFVOJTNIZMEU-DLBZAZTESA-N 2 0 300.487 2.264 10 0 DEAERP CC(C)C[NH2+]CC1(C[N@H+](C)CCOC(C)C)CCOCC1 ZINC000157606247 197201796 /nfs/dbraw/zinc/20/17/96/197201796.db2.gz QPYBGESTZIAYTM-UHFFFAOYSA-N 2 0 300.487 2.386 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176227090 285235943 /nfs/dbraw/zinc/23/59/43/285235943.db2.gz GRCHONBKMLJNFW-JKSUJKDBSA-N 2 0 312.502 2.088 10 0 DEAERP C[N@@H+]1CCC[C@@H]2CN(Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613724 145109094 /nfs/dbraw/zinc/10/90/94/145109094.db2.gz DQYLDZGPAQNNPY-CZUORRHYSA-N 2 0 311.433 2.128 10 0 DEAERP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247944531 145145836 /nfs/dbraw/zinc/14/58/36/145145836.db2.gz HEXOYWUAQAKEGI-LMMKCTJWSA-N 2 0 318.461 2.151 10 0 DEAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549155 145206985 /nfs/dbraw/zinc/20/69/85/145206985.db2.gz OGTAHBCRDAIHPY-KZNAEPCWSA-N 2 0 315.461 2.237 10 0 DEAERP C[C@@H](C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000261648906 145213833 /nfs/dbraw/zinc/21/38/33/145213833.db2.gz BFAACWOCWQMLMD-RVKKMQEKSA-N 2 0 315.461 2.019 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261741715 145221891 /nfs/dbraw/zinc/22/18/91/145221891.db2.gz SFCBOVNBEGAQGH-NCOADZHNSA-N 2 0 307.482 2.288 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000261812359 145229255 /nfs/dbraw/zinc/22/92/55/145229255.db2.gz RXWMKVARIUPDDI-VDHUWJSZSA-N 2 0 315.461 2.141 10 0 DEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834942 145232066 /nfs/dbraw/zinc/23/20/66/145232066.db2.gz ULJYLKLWMPPUOO-DZOHQFGASA-N 2 0 315.461 2.313 10 0 DEAERP C[C@@H]1CCC[C@H](NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000261859939 145234523 /nfs/dbraw/zinc/23/45/23/145234523.db2.gz FPPWTLOOLQMPMP-VZSUBVHGSA-N 2 0 307.482 2.142 10 0 DEAERP C[C@H](c1ccccc1Cl)N1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261858360 145234638 /nfs/dbraw/zinc/23/46/38/145234638.db2.gz PLXRHIDIGVAKFD-QWHCGFSZSA-N 2 0 309.841 2.283 10 0 DEAERP C[C@H](Cc1nc(-c2ccc(C[NH3+])cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000262142802 145266270 /nfs/dbraw/zinc/26/62/70/145266270.db2.gz ZFJREBDFIGZWFQ-DOMZBBRYSA-N 2 0 300.406 2.374 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119600554 401961195 /nfs/dbraw/zinc/96/11/95/401961195.db2.gz FAOODDOUAIZTAW-GJZGRUSLSA-N 2 0 312.502 2.088 10 0 DEAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121139779 402016922 /nfs/dbraw/zinc/01/69/22/402016922.db2.gz VDCPWBBFSAKQQW-OAHLLOKOSA-N 2 0 306.450 2.220 10 0 DEAERP CC(C)Cn1ccnc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000121657374 402047729 /nfs/dbraw/zinc/04/77/29/402047729.db2.gz ASINWUJJVLCFAI-CABCVRRESA-N 2 0 321.469 2.067 10 0 DEAERP CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000123554225 402134083 /nfs/dbraw/zinc/13/40/83/402134083.db2.gz IVNTTZAYVMZKIA-NVXWUHKLSA-N 2 0 303.450 2.107 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000154105088 402193161 /nfs/dbraw/zinc/19/31/61/402193161.db2.gz NUWNZLIYHIQAJI-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP COc1cccc2c(N3CCO[C@H](C[NH+](C)C)C3)cc(C)nc12 ZINC000124919388 402203936 /nfs/dbraw/zinc/20/39/36/402203936.db2.gz GUUCFLBTHXELNV-CQSZACIVSA-N 2 0 315.417 2.319 10 0 DEAERP COc1cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000153675577 402161768 /nfs/dbraw/zinc/16/17/68/402161768.db2.gz SKVQGRUACBIWCS-KGLIPLIRSA-N 2 0 309.429 2.121 10 0 DEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125235646 402220945 /nfs/dbraw/zinc/22/09/45/402220945.db2.gz UBZYXZLCCWRPBU-OFLPRAFFSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@H](C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)[NH+](C)C ZINC000125366659 402228394 /nfs/dbraw/zinc/22/83/94/402228394.db2.gz VOQDMVIAMOGQHU-XJKSGUPXSA-N 2 0 300.406 2.390 10 0 DEAERP C(CC[NH+]1CCOCC1)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000158732101 402310930 /nfs/dbraw/zinc/31/09/30/402310930.db2.gz MZSUTCOHLUEZAZ-UHFFFAOYSA-N 3 0 323.525 2.486 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236764250 402381406 /nfs/dbraw/zinc/38/14/06/402381406.db2.gz HHGLLMVOTYQRSU-QAETUUGQSA-N 2 0 307.482 2.097 10 0 DEAERP CC(C)([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236838149 402385481 /nfs/dbraw/zinc/38/54/81/402385481.db2.gz BBGYJHQXLWXWSA-ALOPSCKCSA-N 2 0 315.461 2.426 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000186629448 402449268 /nfs/dbraw/zinc/44/92/68/402449268.db2.gz CXFBBAFTKWJXBI-IRXDYDNUSA-N 2 0 318.465 2.025 10 0 DEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000245965701 402500994 /nfs/dbraw/zinc/50/09/94/402500994.db2.gz DOVRFYNOYUFVER-BRWVUGGUSA-N 2 0 324.513 2.090 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000246756398 402543998 /nfs/dbraw/zinc/54/39/98/402543998.db2.gz MLTNJHLGHKGBDC-ZACQAIPSSA-N 2 0 322.497 2.129 10 0 DEAERP O=C1NCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000179067602 402569871 /nfs/dbraw/zinc/56/98/71/402569871.db2.gz TULCDPGOIUDTMM-QGZVFWFLSA-N 2 0 301.434 2.041 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000246433352 402531495 /nfs/dbraw/zinc/53/14/95/402531495.db2.gz MWJPRTXGYJNVPA-DOTOQJQBSA-N 2 0 324.513 2.231 10 0 DEAERP CCC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)C ZINC000248406539 402589642 /nfs/dbraw/zinc/58/96/42/402589642.db2.gz SMJDCUYUQPQCCF-HLLBOEOZSA-N 2 0 309.498 2.486 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C12CCOCC2 ZINC000248922959 402614742 /nfs/dbraw/zinc/61/47/42/402614742.db2.gz FKIYGBLFBXTNSX-LUKYLMHMSA-N 2 0 310.482 2.423 10 0 DEAERP COC[C@@H](C)C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000249774009 402641895 /nfs/dbraw/zinc/64/18/95/402641895.db2.gz KACWKEUITYYZRW-HKUYNNGSSA-N 2 0 319.493 2.237 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000173669329 402707738 /nfs/dbraw/zinc/70/77/38/402707738.db2.gz UFCPMOALFPLLQL-DOTOQJQBSA-N 2 0 324.513 2.231 10 0 DEAERP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H]3[C@H]3COCCN3)CC2)C1 ZINC000261841629 402718122 /nfs/dbraw/zinc/71/81/22/402718122.db2.gz ALSGZBGVWISSNO-CEXWTWQISA-N 2 0 321.509 2.140 10 0 DEAERP C[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000174013773 402723534 /nfs/dbraw/zinc/72/35/34/402723534.db2.gz UQSFVIZOCHBGCN-HOTGVXAUSA-N 2 0 319.449 2.044 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175668667 402824383 /nfs/dbraw/zinc/82/43/83/402824383.db2.gz BKPBCLGNDBDIST-MRXNPFEDSA-N 2 0 322.497 2.177 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728964 402827281 /nfs/dbraw/zinc/82/72/81/402827281.db2.gz GOCOIBJTNDPKER-GDBMZVCRSA-N 2 0 323.506 2.369 10 0 DEAERP CN1CCC[C@H]1C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195166 402835789 /nfs/dbraw/zinc/83/57/89/402835789.db2.gz PDGIWWZIJFHUMB-YOEHRIQHSA-N 2 0 311.470 2.317 10 0 DEAERP [NH3+]CC1(CC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000333616163 403792928 /nfs/dbraw/zinc/79/29/28/403792928.db2.gz RDBUPHOAYGZNHQ-CVEARBPZSA-N 2 0 307.482 2.276 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000362387897 403951572 /nfs/dbraw/zinc/95/15/72/403951572.db2.gz BZLSUFZQSKXMMT-SFHVURJKSA-N 2 0 317.477 2.007 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246169681 304388527 /nfs/dbraw/zinc/38/85/27/304388527.db2.gz BCUVHKXHTQOJGK-MHORFTMASA-N 2 0 319.493 2.384 10 0 DEAERP C(C[NH+]1CC[C@@]2(C1)CCCOC2)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375276778 404720877 /nfs/dbraw/zinc/72/08/77/404720877.db2.gz HOLSSGQZPVULED-RTBURBONSA-N 2 0 322.493 2.382 10 0 DEAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000360983455 404869690 /nfs/dbraw/zinc/86/96/90/404869690.db2.gz ARWVVZRVPKVJRS-KZNAEPCWSA-N 2 0 310.482 2.284 10 0 DEAERP C[C@@H](CCNC(=O)C[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000379680532 405029977 /nfs/dbraw/zinc/02/99/77/405029977.db2.gz MRSCDZNCJAUBPC-WMZOPIPTSA-N 2 0 317.477 2.403 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000397496968 405058059 /nfs/dbraw/zinc/05/80/59/405058059.db2.gz FLFVYJBLVNRMGI-NVXWUHKLSA-N 2 0 320.502 2.497 10 0 DEAERP c1cc(OCCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCO2 ZINC000420365301 405333477 /nfs/dbraw/zinc/33/34/77/405333477.db2.gz JATXAHPDHHEYPQ-GOSISDBHSA-N 2 0 318.417 2.260 10 0 DEAERP c1nc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378951 405338254 /nfs/dbraw/zinc/33/82/54/405338254.db2.gz UURKKIMUMUCYKZ-CVEARBPZSA-N 2 0 302.466 2.398 10 0 DEAERP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000638852067 405714875 /nfs/dbraw/zinc/71/48/75/405714875.db2.gz VDKUMFMEIHMWIZ-QZTJIDSGSA-N 2 0 315.461 2.157 10 0 DEAERP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851753 405715207 /nfs/dbraw/zinc/71/52/07/405715207.db2.gz RQKZHHQPHNPRRN-IAGOWNOFSA-N 2 0 303.450 2.285 10 0 DEAERP CC[NH+]1CCC(CC[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000561513306 405934094 /nfs/dbraw/zinc/93/40/94/405934094.db2.gz QUVZTCJJDCITDE-UHFFFAOYSA-N 2 0 315.465 2.488 10 0 DEAERP [NH3+]C[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1ccc2ccccc2c1 ZINC000634770713 406275920 /nfs/dbraw/zinc/27/59/20/406275920.db2.gz VIXRGRPTMUFXHO-BJLQDIEVSA-N 2 0 323.440 2.346 10 0 DEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634949066 406364906 /nfs/dbraw/zinc/36/49/06/406364906.db2.gz GMFHGJLQLBCMGU-LSDHHAIUSA-N 2 0 304.500 2.054 10 0 DEAERP CC1(C)CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638101728 406570181 /nfs/dbraw/zinc/57/01/81/406570181.db2.gz RFHXXWUAXCCTFO-KRWDZBQOSA-N 2 0 313.445 2.157 10 0 DEAERP c1ccc2c(c1)CC[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)C2 ZINC000638370172 406730554 /nfs/dbraw/zinc/73/05/54/406730554.db2.gz JGLBFXYLLNZHAD-QGZVFWFLSA-N 2 0 302.462 2.494 10 0 DEAERP COc1cccc([C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000129807110 196077725 /nfs/dbraw/zinc/07/77/25/196077725.db2.gz JACSPRMUDMGJFU-MRXNPFEDSA-N 2 0 305.466 2.326 10 0 DEAERP C[C@@H]1CC(O)C[C@@H](C)[NH+]1C/C=C/C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191159302 225105532 /nfs/dbraw/zinc/10/55/32/225105532.db2.gz DVVAKBYCUZLMPB-LQFVJPETSA-N 2 0 310.482 2.010 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972219 424917084 /nfs/dbraw/zinc/91/70/84/424917084.db2.gz CNKJLCPFIUTHKY-IWCVFHTOSA-N 2 0 315.461 2.141 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398047016 269108026 /nfs/dbraw/zinc/10/80/26/269108026.db2.gz WDVTYVKTVFONIN-KCITZHQASA-N 2 0 301.478 2.485 10 0 DEAERP COC[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174084693 274042137 /nfs/dbraw/zinc/04/21/37/274042137.db2.gz ZAUCBQSEHJOCPS-CRAIPNDOSA-N 2 0 306.450 2.057 10 0 DEAERP COC[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174084652 274048004 /nfs/dbraw/zinc/04/80/04/274048004.db2.gz ZAUCBQSEHJOCPS-YJBOKZPZSA-N 2 0 306.450 2.057 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079495615 278972236 /nfs/dbraw/zinc/97/22/36/278972236.db2.gz MCKQQZANKCGZBF-HOTGVXAUSA-N 2 0 314.518 2.238 10 0 DEAERP c1nc(C2CC2)sc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000582772945 337145227 /nfs/dbraw/zinc/14/52/27/337145227.db2.gz HHUWRAWEDCOUAA-UHFFFAOYSA-N 2 0 320.506 2.327 10 0 DEAERP C[C@H](NC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000080890977 649156953 /nfs/dbraw/zinc/15/69/53/649156953.db2.gz ONYIGLOXJBVMST-AWEZNQCLSA-N 2 0 300.450 2.485 10 0 DEAERP CO[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397501789 790194204 /nfs/dbraw/zinc/19/42/04/790194204.db2.gz ZPFOMGKEZSNMAE-MSOLQXFVSA-N 2 0 318.461 2.171 10 0 DEAERP OC1(C[NH2+]C[C@@H]2CCC=CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000397530524 790198049 /nfs/dbraw/zinc/19/80/49/790198049.db2.gz YYFHSCTYAUTMII-SFHVURJKSA-N 2 0 316.445 2.296 10 0 DEAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000713005418 792212461 /nfs/dbraw/zinc/21/24/61/792212461.db2.gz UAXYWJYZMXDZCX-IRXDYDNUSA-N 2 0 317.477 2.387 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401747419 801848079 /nfs/dbraw/zinc/84/80/79/801848079.db2.gz LDHKSNOITOODCU-GDBMZVCRSA-N 2 0 323.481 2.483 10 0 DEAERP CC1(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000717974257 1081855116 /nfs/dbraw/zinc/85/51/16/1081855116.db2.gz LCXVRUNKRKEELP-UHFFFAOYSA-N 2 0 318.461 2.030 10 0 DEAERP C[C@H]1C[C@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000701867903 1086388978 /nfs/dbraw/zinc/38/89/78/1086388978.db2.gz ODCNLYPQHIGWIK-YOFIQYCBSA-N 2 0 323.481 2.458 10 0 DEAERP C[NH2+]CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000719690087 1092462993 /nfs/dbraw/zinc/46/29/93/1092462993.db2.gz GRXBTFKVGLPROH-SFHVURJKSA-N 2 0 317.477 2.405 10 0 DEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000380895733 1144379061 /nfs/dbraw/zinc/37/90/61/1144379061.db2.gz JEHXFLQXPSYDSG-DLBZAZTESA-N 2 0 303.450 2.142 10 0 DEAERP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000092364741 185314030 /nfs/dbraw/zinc/31/40/30/185314030.db2.gz AVEVVPAEFCCAMR-LBPRGKRZSA-N 2 0 305.403 2.471 10 0 DEAERP CN(C[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000092624911 185330109 /nfs/dbraw/zinc/33/01/09/185330109.db2.gz SPMXNYNCORDEPG-QWRGUYRKSA-N 2 0 316.243 2.068 10 0 DEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000236588437 539737853 /nfs/dbraw/zinc/73/78/53/539737853.db2.gz JBJPNSVLZFHECJ-QGZVFWFLSA-N 2 0 304.434 2.430 10 0 DEAERP COc1ccc2c(c1)[C@H](C[NH3+])N(CCCC[NH+]1CCCC1)C2 ZINC000071683127 191006836 /nfs/dbraw/zinc/00/68/36/191006836.db2.gz JRDKSXFPMIZVPS-SFHVURJKSA-N 2 0 303.450 2.387 10 0 DEAERP C[NH2+][C@@H](Cc1c[nH+]ccc1N)c1ncccc1Br ZINC000140423367 186026893 /nfs/dbraw/zinc/02/68/93/186026893.db2.gz LUBCLANXWWLJIA-LBPRGKRZSA-N 2 0 307.195 2.325 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000248550979 539774078 /nfs/dbraw/zinc/77/40/78/539774078.db2.gz GNIDFDJYXUPLAY-QAPCUYQASA-N 2 0 305.441 2.426 10 0 DEAERP CC[NH2+][C@H](Cc1ccccc1Cl)C[C@H]1C[N@H+](C)CCN1C ZINC000149684932 186052494 /nfs/dbraw/zinc/05/24/94/186052494.db2.gz ASTUJZHLYYNLOS-CVEARBPZSA-N 2 0 309.885 2.497 10 0 DEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000152425467 186070868 /nfs/dbraw/zinc/07/08/68/186070868.db2.gz PTUALORBLAITFH-IAGOWNOFSA-N 2 0 324.513 2.090 10 0 DEAERP CN(CCC[NH+](C)C)c1ccc(C(F)(F)F)c(C(N)=[NH2+])c1 ZINC000164308018 186155292 /nfs/dbraw/zinc/15/52/92/186155292.db2.gz QGMYBWVPABYKBZ-UHFFFAOYSA-N 2 0 302.344 2.377 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)n2)CC1 ZINC000173682353 198239951 /nfs/dbraw/zinc/23/99/51/198239951.db2.gz NLGCSTHPTPXAEU-CYBMUJFWSA-N 2 0 311.857 2.260 10 0 DEAERP NC(=[NH2+])c1ccc(OC/C=C\COc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000034072783 354161265 /nfs/dbraw/zinc/16/12/65/354161265.db2.gz MNQAMLJHWQQDHZ-UPHRSURJSA-N 2 0 324.384 2.269 10 0 DEAERP CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261928865 535280154 /nfs/dbraw/zinc/28/01/54/535280154.db2.gz JDPQIHWRMXFCIR-BBWFWOEESA-N 2 0 307.482 2.145 10 0 DEAERP C[NH2+][C@H](C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404312539 540145243 /nfs/dbraw/zinc/14/52/43/540145243.db2.gz MCWKTBQRNVSWPL-XUWVNRHRSA-N 2 0 303.450 2.104 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000175779905 283167340 /nfs/dbraw/zinc/16/73/40/283167340.db2.gz YNSJCOWSPKKGOV-KRWDZBQOSA-N 2 0 324.513 2.378 10 0 DEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000091313770 193038424 /nfs/dbraw/zinc/03/84/24/193038424.db2.gz PTILRAKHZCMFIW-CQSZACIVSA-N 2 0 313.239 2.259 10 0 DEAERP CSC1(C[NH3+])CC[NH+](Cc2nn(C)c3ccccc23)CC1 ZINC000091471506 193061610 /nfs/dbraw/zinc/06/16/10/193061610.db2.gz OHCQMUOSXXHBGL-UHFFFAOYSA-N 2 0 304.463 2.230 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(Br)c1 ZINC000629569733 367256333 /nfs/dbraw/zinc/25/63/33/367256333.db2.gz DZPZCGYYEZJILX-UHFFFAOYSA-N 2 0 301.228 2.117 10 0 DEAERP CS(=O)(=O)[C@H]1CCC[C@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC000094634617 193385861 /nfs/dbraw/zinc/38/58/61/193385861.db2.gz WPUZWSJQDOBVKI-HOTGVXAUSA-N 2 0 316.511 2.326 10 0 DEAERP CC(C)[NH2+]CC1CC[NH+]([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644252 193389712 /nfs/dbraw/zinc/38/97/12/193389712.db2.gz BDHQJXWZOWCELT-JKSUJKDBSA-N 2 0 316.511 2.052 10 0 DEAERP CCC[NH2+][C@@H]1[C@@H](C[N@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429263 193369183 /nfs/dbraw/zinc/36/91/83/193369183.db2.gz ORDQFFAOXYLHLO-HUUCEWRRSA-N 2 0 300.487 2.261 10 0 DEAERP CC(C)CN(CC[NH+](C)C)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489424 193373422 /nfs/dbraw/zinc/37/34/22/193373422.db2.gz NELNBYTXJFGQAY-INIZCTEOSA-N 2 0 301.544 2.367 10 0 DEAERP COc1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000153675685 291574619 /nfs/dbraw/zinc/57/46/19/291574619.db2.gz SKVQGRUACBIWCS-UONOGXRCSA-N 2 0 309.429 2.121 10 0 DEAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000020217645 182198184 /nfs/dbraw/zinc/19/81/84/182198184.db2.gz XNUYFHBSUXPQEK-AWEZNQCLSA-N 2 0 312.255 2.086 10 0 DEAERP C[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1(C)C ZINC000110712193 194353462 /nfs/dbraw/zinc/35/34/62/194353462.db2.gz YFYWVYFCOAWHGU-JTQLQIEISA-N 2 0 316.243 2.068 10 0 DEAERP CN([C@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000062709423 184248868 /nfs/dbraw/zinc/24/88/68/184248868.db2.gz PUJNUKLEXZLWAQ-CQSZACIVSA-N 2 0 301.356 2.130 10 0 DEAERP C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(N)=[NH2+])C1 ZINC000062965902 184262757 /nfs/dbraw/zinc/26/27/57/184262757.db2.gz LNQVVRRQCIYWAJ-JTQLQIEISA-N 2 0 300.328 2.130 10 0 DEAERP O=C1O[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC12CCC2 ZINC000191943626 284965978 /nfs/dbraw/zinc/96/59/78/284965978.db2.gz PPJCYAICJFHAIC-INIZCTEOSA-N 2 0 306.450 2.280 10 0 DEAERP CC[NH+](CC)[C@H](C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000538315204 285031434 /nfs/dbraw/zinc/03/14/34/285031434.db2.gz GAKQLKXACWRZOP-KRWDZBQOSA-N 2 0 305.466 2.480 10 0 DEAERP CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CC[N@H+](C)CCOC(C)C ZINC000157771996 197214770 /nfs/dbraw/zinc/21/47/70/197214770.db2.gz CYVYITHVTSVHBH-DLBZAZTESA-N 2 0 300.487 2.263 10 0 DEAERP Cc1cc(N2CC[NH+](C(C)(C)C)CC2)c(C(N)=S)c(C)[nH+]1 ZINC000156633759 197129466 /nfs/dbraw/zinc/12/94/66/197129466.db2.gz WJIYUCXYFXFCMO-UHFFFAOYSA-N 2 0 306.479 2.253 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105174550 285230794 /nfs/dbraw/zinc/23/07/94/285230794.db2.gz BBKDFGDVBBBMQM-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000121030172 195282845 /nfs/dbraw/zinc/28/28/45/195282845.db2.gz QLUXXUBMRHXYLX-RBUKOAKNSA-N 2 0 321.509 2.070 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000245480577 132566131 /nfs/dbraw/zinc/56/61/31/132566131.db2.gz XLEDEDHAVDVVMZ-DLBZAZTESA-N 2 0 324.513 2.234 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000358184930 133126511 /nfs/dbraw/zinc/12/65/11/133126511.db2.gz HOZGFUZUWLSNFG-UHFFFAOYSA-N 2 0 310.486 2.056 10 0 DEAERP C[C@H]1CCC[C@](CNC(=O)CC2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000362605754 133241262 /nfs/dbraw/zinc/24/12/62/133241262.db2.gz IIMSQWMJLZMZPI-YJBOKZPZSA-N 2 0 309.498 2.345 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000173379109 144841183 /nfs/dbraw/zinc/84/11/83/144841183.db2.gz VIEZQXLDVYCORT-IAGOWNOFSA-N 2 0 322.497 2.127 10 0 DEAERP CC[C@H](C)CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000188259256 145009498 /nfs/dbraw/zinc/00/94/98/145009498.db2.gz BAPKBMQLXSLTNH-INIZCTEOSA-N 2 0 309.498 2.489 10 0 DEAERP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246972966 145121302 /nfs/dbraw/zinc/12/13/02/145121302.db2.gz VNRAXAJPBIGDCT-WMZOPIPTSA-N 2 0 313.445 2.234 10 0 DEAERP CN(C[C@]1(C)CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000261767711 145224210 /nfs/dbraw/zinc/22/42/10/145224210.db2.gz MBYFVUKKFYYYBH-LJQANCHMSA-N 2 0 316.493 2.020 10 0 DEAERP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)C2 ZINC000262023963 145253770 /nfs/dbraw/zinc/25/37/70/145253770.db2.gz WVESWYUBVQJQQB-INDMIFKZSA-N 2 0 300.446 2.291 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262121946 145263621 /nfs/dbraw/zinc/26/36/21/145263621.db2.gz IUJZDQAGMBEBFJ-HHARLNAUSA-N 2 0 307.482 2.144 10 0 DEAERP [NH3+]Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000263073619 145322555 /nfs/dbraw/zinc/32/25/55/145322555.db2.gz ZZHBZKFKJITNBH-KOLCDFICSA-N 2 0 301.312 2.230 10 0 DEAERP [NH3+]Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000263073616 145322560 /nfs/dbraw/zinc/32/25/60/145322560.db2.gz ZZHBZKFKJITNBH-GXSJLCMTSA-N 2 0 301.312 2.230 10 0 DEAERP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309711980 145350640 /nfs/dbraw/zinc/35/06/40/145350640.db2.gz JPUHYTYEZTXYNY-DLBZAZTESA-N 2 0 303.450 2.142 10 0 DEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000358428505 147131955 /nfs/dbraw/zinc/13/19/55/147131955.db2.gz WOZRIUGJVCZYGM-AWEZNQCLSA-N 2 0 321.469 2.419 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000079495472 401874369 /nfs/dbraw/zinc/87/43/69/401874369.db2.gz NWLYGWCHPZYLPX-INIZCTEOSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030933 401920589 /nfs/dbraw/zinc/92/05/89/401920589.db2.gz YFDSSODRPMSNPT-OAHLLOKOSA-N 2 0 309.841 2.155 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000048215933 401996043 /nfs/dbraw/zinc/99/60/43/401996043.db2.gz RRFYQRNKAXHZHU-DOTOQJQBSA-N 2 0 320.481 2.319 10 0 DEAERP C[C@H](NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000123195923 402115095 /nfs/dbraw/zinc/11/50/95/402115095.db2.gz PBCKJTZFUNWYTI-MELADBBJSA-N 2 0 309.479 2.340 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000123244723 402117477 /nfs/dbraw/zinc/11/74/77/402117477.db2.gz YYUSDMJJOANNJV-RHSMWYFYSA-N 2 0 303.450 2.303 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000101668944 402153825 /nfs/dbraw/zinc/15/38/25/402153825.db2.gz NDCDGKJYQJMSDR-JYJNAYRXSA-N 2 0 309.498 2.486 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000124382379 402177377 /nfs/dbraw/zinc/17/73/77/402177377.db2.gz KAYPNYNWSMHARA-SJORKVTESA-N 2 0 324.513 2.233 10 0 DEAERP C[C@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000185188024 402332124 /nfs/dbraw/zinc/33/21/24/402332124.db2.gz KQJGEEVUOICQQM-HOTGVXAUSA-N 2 0 324.513 2.233 10 0 DEAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000237941980 402426815 /nfs/dbraw/zinc/42/68/15/402426815.db2.gz ZESMRSPMDOCRHN-QZTJIDSGSA-N 2 0 315.461 2.416 10 0 DEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246099626 402510120 /nfs/dbraw/zinc/51/01/20/402510120.db2.gz HCIVTRSFWWNORE-ZACQAIPSSA-N 2 0 324.513 2.231 10 0 DEAERP CCOCCN1CC[N@H+](CCCCn2ccnc2C)C[C@H]1C ZINC000245576945 402472438 /nfs/dbraw/zinc/47/24/38/402472438.db2.gz BFIVQIRVEMEMKJ-MRXNPFEDSA-N 2 0 308.470 2.014 10 0 DEAERP Cc1nc(C)n(C[C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245707942 402481477 /nfs/dbraw/zinc/48/14/77/402481477.db2.gz YWKJFKVVJPPIER-DLBZAZTESA-N 2 0 305.470 2.091 10 0 DEAERP CCC[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000245785971 402487422 /nfs/dbraw/zinc/48/74/22/402487422.db2.gz MWLIBKYMWRRTCP-BPQIPLTHSA-N 2 0 317.477 2.496 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246355598 402526632 /nfs/dbraw/zinc/52/66/32/402526632.db2.gz PNBCAHWLBVIXRB-WBVHZDCISA-N 2 0 324.513 2.090 10 0 DEAERP C[C@H]([NH2+]CC1(C)OCCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000190651305 402615925 /nfs/dbraw/zinc/61/59/25/402615925.db2.gz RGAJXBWYIAFTAO-HNNXBMFYSA-N 2 0 322.449 2.431 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249747789 402640250 /nfs/dbraw/zinc/64/02/50/402640250.db2.gz ACJTZDDCHAAZGK-CVEARBPZSA-N 2 0 310.486 2.034 10 0 DEAERP CCC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000182533695 402697907 /nfs/dbraw/zinc/69/79/07/402697907.db2.gz STMGEKXDADZKKP-NVXWUHKLSA-N 2 0 305.466 2.353 10 0 DEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000263253205 402750646 /nfs/dbraw/zinc/75/06/46/402750646.db2.gz KAWBSNKVGXCYBZ-VQHPVUNQSA-N 2 0 307.482 2.144 10 0 DEAERP CC[NH+]1CCN(c2ccccc2CN2CC[NH2+]C(C)(C)C2)CC1 ZINC000263278320 402753743 /nfs/dbraw/zinc/75/37/43/402753743.db2.gz ZDAZJDNVYQZBRN-UHFFFAOYSA-N 2 0 316.493 2.012 10 0 DEAERP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192893135 402755520 /nfs/dbraw/zinc/75/55/20/402755520.db2.gz IUVVEARASCPDTC-BHIYHBOVSA-N 2 0 318.461 2.292 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000194960811 402824370 /nfs/dbraw/zinc/82/43/70/402824370.db2.gz OTUIWZHSSIORDB-UHFFFAOYSA-N 2 0 322.497 2.131 10 0 DEAERP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516255 402849743 /nfs/dbraw/zinc/84/97/43/402849743.db2.gz NTSGHNSMKFFUIM-HZPDHXFCSA-N 2 0 318.465 2.429 10 0 DEAERP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000282049633 403116988 /nfs/dbraw/zinc/11/69/88/403116988.db2.gz VJTSFRIJFJLJDD-OAHLLOKOSA-N 2 0 313.445 2.337 10 0 DEAERP CC1(C)CC(NC(=O)N2CCC3(CC[NH2+]C3)CC2)CC(C)(C)[NH2+]1 ZINC000333411177 403746032 /nfs/dbraw/zinc/74/60/32/403746032.db2.gz RFUVKWLHCAFFDX-UHFFFAOYSA-N 2 0 322.497 2.081 10 0 DEAERP CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000333943876 403903464 /nfs/dbraw/zinc/90/34/64/403903464.db2.gz RLOGGRRMQXPBFL-SJORKVTESA-N 2 0 324.513 2.184 10 0 DEAERP [NH3+]Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310078250 403965967 /nfs/dbraw/zinc/96/59/67/403965967.db2.gz HJDMPIFFSVUCQJ-GOSISDBHSA-N 2 0 323.440 2.397 10 0 DEAERP CC(C)[NH2+]CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377315934 404835674 /nfs/dbraw/zinc/83/56/74/404835674.db2.gz KIUILZBKKDLAHM-OALUTQOASA-N 2 0 301.478 2.438 10 0 DEAERP c1cnn(C2CC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000638836041 405703567 /nfs/dbraw/zinc/70/35/67/405703567.db2.gz BJAAGKCWCIPVFA-UHFFFAOYSA-N 2 0 311.433 2.488 10 0 DEAERP c1cncc(C[NH2+]CCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423184434 405714008 /nfs/dbraw/zinc/71/40/08/405714008.db2.gz IBUDWGCMUHWMKK-GBESFXJTSA-N 2 0 316.493 2.462 10 0 DEAERP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000127569404 292367985 /nfs/dbraw/zinc/36/79/85/292367985.db2.gz LXMKVERBZODOBD-FUHWJXTLSA-N 2 0 317.477 2.434 10 0 DEAERP c1ccc(CN2CCCO[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639106902 405886565 /nfs/dbraw/zinc/88/65/65/405886565.db2.gz XBHVYBQOEYMRBM-MOPGFXCFSA-N 2 0 318.461 2.436 10 0 DEAERP c1ccc([C@@H]2C[C@@H]([NH2+]C3COCCOC3)CCN2C2CC2)cc1 ZINC000639201804 405968312 /nfs/dbraw/zinc/96/83/12/405968312.db2.gz MVJFAYVFKQCPML-LPHOPBHVSA-N 2 0 316.445 2.360 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000634724286 406248645 /nfs/dbraw/zinc/24/86/45/406248645.db2.gz NIFKNXAJBWHOMZ-BHIYHBOVSA-N 2 0 320.477 2.130 10 0 DEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634949064 406365033 /nfs/dbraw/zinc/36/50/33/406365033.db2.gz GMFHGJLQLBCMGU-GJZGRUSLSA-N 2 0 304.500 2.054 10 0 DEAERP CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390738390 424917375 /nfs/dbraw/zinc/91/73/75/424917375.db2.gz ABFNJWFYVACBFM-INIZCTEOSA-N 2 0 303.450 2.237 10 0 DEAERP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309924346 424894128 /nfs/dbraw/zinc/89/41/28/424894128.db2.gz WYHUKGWNEWIAQF-QZTJIDSGSA-N 2 0 315.461 2.014 10 0 DEAERP Cc1[nH+]cc2n1CC[C@H](c1nc(C3([NH3+])CCCCC3)no1)C2 ZINC000333615727 268963013 /nfs/dbraw/zinc/96/30/13/268963013.db2.gz SQXXJLYQRHNTKS-LBPRGKRZSA-N 2 0 301.394 2.423 10 0 DEAERP [NH3+]CC1(CC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000333616167 268963159 /nfs/dbraw/zinc/96/31/59/268963159.db2.gz RDBUPHOAYGZNHQ-HZPDHXFCSA-N 2 0 307.482 2.276 10 0 DEAERP CN(CC[N@H+](C)C1CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC000362738036 269050409 /nfs/dbraw/zinc/05/04/09/269050409.db2.gz SBJDKBBLODZSOA-UHFFFAOYSA-N 2 0 309.498 2.441 10 0 DEAERP c1ccc(COCCOCCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000390581479 269098153 /nfs/dbraw/zinc/09/81/53/269098153.db2.gz PMRUYYHEVQZREK-SFHVURJKSA-N 2 0 306.450 2.342 10 0 DEAERP CO[C@@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397495802 269106830 /nfs/dbraw/zinc/10/68/30/269106830.db2.gz PZAWFJSIIIYQCG-HOTGVXAUSA-N 2 0 306.450 2.027 10 0 DEAERP COC(C)(C)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397663279 269106972 /nfs/dbraw/zinc/10/69/72/269106972.db2.gz DWQULHJRWLEBLP-MRXNPFEDSA-N 2 0 320.477 2.417 10 0 DEAERP COCC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067934858 277220399 /nfs/dbraw/zinc/22/03/99/277220399.db2.gz KARZHYXVTXBCPL-KRWDZBQOSA-N 3 0 323.525 2.247 10 0 DEAERP CC[NH+](CC)CCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000156661489 279097906 /nfs/dbraw/zinc/09/79/06/279097906.db2.gz BNIQHKNQOSUBCA-UHFFFAOYSA-N 2 0 312.502 2.138 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826742 279272615 /nfs/dbraw/zinc/27/26/15/279272615.db2.gz IWETUZZISRCTLA-JKSUJKDBSA-N 2 0 312.502 2.136 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261560370 279283159 /nfs/dbraw/zinc/28/31/59/279283159.db2.gz ZUGAVJCSOVIWDT-HYVNUMGLSA-N 2 0 303.450 2.141 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000077644739 281054640 /nfs/dbraw/zinc/05/46/40/281054640.db2.gz FKSJISHPUMNZAZ-INIZCTEOSA-N 2 0 322.497 2.131 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000173379124 281189662 /nfs/dbraw/zinc/18/96/62/281189662.db2.gz VIEZQXLDVYCORT-DLBZAZTESA-N 2 0 322.497 2.127 10 0 DEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121791995 281762115 /nfs/dbraw/zinc/76/21/15/281762115.db2.gz ADIVRUWBEKOYOM-KLAILNCOSA-N 2 0 324.513 2.280 10 0 DEAERP CN(C(=O)[C@]1(C)CCC[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000393945911 337098756 /nfs/dbraw/zinc/09/87/56/337098756.db2.gz FSILUZHYMNZUIE-IBGZPJMESA-N 2 0 315.461 2.252 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2cccc(F)c2)CC1 ZINC000105862589 525750583 /nfs/dbraw/zinc/75/05/83/525750583.db2.gz QTLUCBXUPQXICY-HNNXBMFYSA-N 2 0 324.440 2.229 10 0 DEAERP CCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261783624 535668859 /nfs/dbraw/zinc/66/88/59/535668859.db2.gz BOEMMJLWFXWMBU-YQQAZPJKSA-N 2 0 303.450 2.408 10 0 DEAERP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309738538 625548614 /nfs/dbraw/zinc/54/86/14/625548614.db2.gz VDAOSVVSDRHDJX-AEFFLSMTSA-N 2 0 303.450 2.237 10 0 DEAERP CCC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000176083403 624622092 /nfs/dbraw/zinc/62/20/92/624622092.db2.gz IBYGZNRGQYFWGE-HZPDHXFCSA-N 2 0 304.438 2.262 10 0 DEAERP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382771003 685405424 /nfs/dbraw/zinc/40/54/24/685405424.db2.gz LISGYUNEHTWNJW-NEWSRXKRSA-N 2 0 301.478 2.296 10 0 DEAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000713040410 792211482 /nfs/dbraw/zinc/21/14/82/792211482.db2.gz FTIAYZPMTTXYSH-MRXNPFEDSA-N 2 0 305.466 2.244 10 0 DEAERP Cc1nc[nH]c1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000713341228 792218906 /nfs/dbraw/zinc/21/89/06/792218906.db2.gz CGJZOGMJQAFHHW-BBRMVZONSA-N 2 0 312.417 2.102 10 0 DEAERP CC(=O)NCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716693664 793001406 /nfs/dbraw/zinc/00/14/06/793001406.db2.gz PUIUEIJNXABYOE-OTWHNJEPSA-N 2 0 315.461 2.155 10 0 DEAERP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000047718560 1078400313 /nfs/dbraw/zinc/40/03/13/1078400313.db2.gz FLOYMFMBNDNKKX-UHFFFAOYSA-N 2 0 314.433 2.279 10 0 DEAERP CC(C)[N@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724040873 1143897583 /nfs/dbraw/zinc/89/75/83/1143897583.db2.gz KZXIKCQLEDRESI-SNVBAGLBSA-N 2 0 306.319 2.255 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000136666033 282089287 /nfs/dbraw/zinc/08/92/87/282089287.db2.gz MDPJIHZHYADDKF-GTPINHCMSA-N 2 0 324.513 2.280 10 0 DEAERP C[NH+](C)CCN1CC[NH+](C[C@H]2CSc3ccccc32)CC1 ZINC000092663045 185332696 /nfs/dbraw/zinc/33/26/96/185332696.db2.gz XGOFIAUBTHPPFT-HNNXBMFYSA-N 2 0 305.491 2.055 10 0 DEAERP C[NH2+][C@H](C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149573200 186050843 /nfs/dbraw/zinc/05/08/43/186050843.db2.gz VEPAZTZUGDKJFR-DZGCQCFKSA-N 2 0 311.857 2.245 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1[C@@](C)(F)[C@H]1CCC[NH2+]C1 ZINC000164005683 186145314 /nfs/dbraw/zinc/14/53/14/186145314.db2.gz CGASUWKOMPSOGR-FZMZJTMJSA-N 2 0 302.825 2.282 10 0 DEAERP CC(C)C[C@H](C[NH3+])CC(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164325733 186156057 /nfs/dbraw/zinc/15/60/57/186156057.db2.gz WIIJOWJXKGIEGE-LBPRGKRZSA-N 2 0 314.861 2.292 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1C(=O)CC1([NH3+])CCCCC1 ZINC000164346485 186156661 /nfs/dbraw/zinc/15/66/61/186156661.db2.gz LJAHCSFYUBLPNH-UHFFFAOYSA-N 2 0 312.845 2.333 10 0 DEAERP COc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000173345802 186179139 /nfs/dbraw/zinc/17/91/39/186179139.db2.gz UGCBUXUDWCQYJT-ZBFHGGJFSA-N 2 0 322.449 2.201 10 0 DEAERP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309717720 539878122 /nfs/dbraw/zinc/87/81/22/539878122.db2.gz MMXCVISXNMQWSX-IEZWGBDMSA-N 2 0 315.461 2.155 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236789913 202009891 /nfs/dbraw/zinc/00/98/91/202009891.db2.gz LDLVAJKHHSFHNI-ALOPSCKCSA-N 2 0 307.482 2.145 10 0 DEAERP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000262353643 291037511 /nfs/dbraw/zinc/03/75/11/291037511.db2.gz HOWMQZSADIMALI-WMZOPIPTSA-N 2 0 321.509 2.489 10 0 DEAERP O=c1cc(C[NH2+]CC2CC[NH2+]CC2)nc(-c2cccc(F)c2)[nH]1 ZINC000073696037 191342982 /nfs/dbraw/zinc/34/29/82/191342982.db2.gz QQRVRALUHXGXCK-UHFFFAOYSA-N 2 0 316.380 2.078 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382730905 540123426 /nfs/dbraw/zinc/12/34/26/540123426.db2.gz BANYIKHONHKCKN-AEFFLSMTSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000121447313 355796138 /nfs/dbraw/zinc/79/61/38/355796138.db2.gz UOJHLTGIKRIYLI-SUMDDJOVSA-N 2 0 315.461 2.298 10 0 DEAERP C[N@H+](C[C@H](C(N)=S)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000080797766 192192432 /nfs/dbraw/zinc/19/24/32/192192432.db2.gz FBOFPZCYNGMKMB-INIZCTEOSA-N 2 0 305.491 2.330 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262666659 356343553 /nfs/dbraw/zinc/34/35/53/356343553.db2.gz KHDMYCQSUSUALX-VQHPVUNQSA-N 2 0 307.482 2.288 10 0 DEAERP OC1(C[NH2+]CC[C@@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000400610551 283158208 /nfs/dbraw/zinc/15/82/08/283158208.db2.gz HGOOYZPRZJATDG-GOSISDBHSA-N 2 0 318.461 2.030 10 0 DEAERP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474200 283157082 /nfs/dbraw/zinc/15/70/82/283157082.db2.gz ZCROUABMQZYINY-NEPXVJNWSA-N 2 0 301.478 2.485 10 0 DEAERP Nc1c(Br)cc(Br)cc1[C@H]([NH3+])CC[NH3+] ZINC000306796131 356405515 /nfs/dbraw/zinc/40/55/15/356405515.db2.gz JGKCXGCZNMMKJX-MRVPVSSYSA-N 2 0 323.032 2.142 10 0 DEAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000193376255 201040262 /nfs/dbraw/zinc/04/02/62/201040262.db2.gz CKHQHHNRTTXOPT-SJORKVTESA-N 2 0 321.465 2.301 10 0 DEAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262984718 291406784 /nfs/dbraw/zinc/40/67/84/291406784.db2.gz MZATZJGFKRMBNK-WMZOPIPTSA-N 2 0 307.482 2.228 10 0 DEAERP CC1(C)CC[C@@H](C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)O1 ZINC000631078288 368004731 /nfs/dbraw/zinc/00/47/31/368004731.db2.gz SOIDATWFVFZTES-HKUYNNGSSA-N 2 0 318.461 2.171 10 0 DEAERP c1csc(N2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000093678031 193288477 /nfs/dbraw/zinc/28/84/77/193288477.db2.gz DISSLARMQFOHBC-GOOCMWNKSA-N 2 0 306.479 2.186 10 0 DEAERP CCC[NH2+][C@H]1[C@@H](C[N@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429264 193368312 /nfs/dbraw/zinc/36/83/12/193368312.db2.gz ORDQFFAOXYLHLO-CABCVRRESA-N 2 0 300.487 2.261 10 0 DEAERP CC[NH2+][C@@H]1[C@@H](C[N@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430085 193368834 /nfs/dbraw/zinc/36/88/34/193368834.db2.gz HKAUMPAKDNSOKI-ZIAGYGMSSA-N 2 0 300.487 2.261 10 0 DEAERP [NH3+]C[C@H](c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457595 193371115 /nfs/dbraw/zinc/37/11/15/193371115.db2.gz HUWLHTGLINCWMR-HUUCEWRRSA-N 2 0 324.266 2.229 10 0 DEAERP CC(C)[C@H](C[NH2+][C@@H]1CSCCC1(C)C)N1CC[NH+](C)CC1 ZINC000094483452 193372526 /nfs/dbraw/zinc/37/25/26/193372526.db2.gz NQYBEADCCLSQSM-JKSUJKDBSA-N 2 0 313.555 2.380 10 0 DEAERP CC(C)CN(CC[NH+](C)C)[C@@]1(C[NH3+])CSCCC1(C)C ZINC000094484198 193372746 /nfs/dbraw/zinc/37/27/46/193372746.db2.gz ZLULJMDAAOXQNK-INIZCTEOSA-N 2 0 301.544 2.367 10 0 DEAERP C[NH2+]Cc1ccc(OCCC[NH+](C)C)c(Br)c1 ZINC000019777051 182147661 /nfs/dbraw/zinc/14/76/61/182147661.db2.gz IZSGTJLFYIXLFO-UHFFFAOYSA-N 2 0 301.228 2.499 10 0 DEAERP C[NH2+]Cc1cc(Br)c(OCC[NH+](C)C)c(OC)c1 ZINC000019777052 182147824 /nfs/dbraw/zinc/14/78/24/182147824.db2.gz AHDAAQDIAJGTGX-UHFFFAOYSA-N 2 0 317.227 2.118 10 0 DEAERP C[NH2+]Cc1nc2ccc(Cl)cc2n1CCC[NH+]1CCOCC1 ZINC000040406190 183062211 /nfs/dbraw/zinc/06/22/11/183062211.db2.gz NVYRBYIPRKYAFC-UHFFFAOYSA-N 2 0 322.840 2.131 10 0 DEAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000105861997 194148482 /nfs/dbraw/zinc/14/84/82/194148482.db2.gz QJBIRADISQXMOU-AWEZNQCLSA-N 2 0 324.440 2.359 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(C(C)(C)N3CC[NH2+]CC3)sc2C1 ZINC000109472988 194267475 /nfs/dbraw/zinc/26/74/75/194267475.db2.gz KBXBRIBWYUCGML-UHFFFAOYSA-N 2 0 308.495 2.050 10 0 DEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)CC[N@@H+]1C ZINC000110711337 194353630 /nfs/dbraw/zinc/35/36/30/194353630.db2.gz YVKPGXJWXBMSKY-QWRGUYRKSA-N 2 0 316.243 2.068 10 0 DEAERP C[NH2+]Cc1ccc(Br)cc1N(C)CC[NH+](C)C ZINC000111140269 194394307 /nfs/dbraw/zinc/39/43/07/194394307.db2.gz LZGRSGDOFGSVSA-UHFFFAOYSA-N 2 0 300.244 2.166 10 0 DEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC[NH+](C)C ZINC000111129973 194393258 /nfs/dbraw/zinc/39/32/58/194393258.db2.gz SWJYJCLVRISXRB-RISCZKNCSA-N 2 0 314.271 2.331 10 0 DEAERP C[NH+](C)CCC[N@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000111131518 194393619 /nfs/dbraw/zinc/39/36/19/194393619.db2.gz HFEYMUDILSYKKU-UHFFFAOYSA-N 2 0 312.845 2.134 10 0 DEAERP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(N)=S)c(C)[nH+]1 ZINC000156697018 197134071 /nfs/dbraw/zinc/13/40/71/197134071.db2.gz KCZNIWHSSLFFPU-OLZOCXBDSA-N 2 0 304.463 2.006 10 0 DEAERP C[NH2+][C@H](CC[C@H]1CCCO1)c1c(Cl)cnn1CC[NH+](C)C ZINC000125542865 195760968 /nfs/dbraw/zinc/76/09/68/195760968.db2.gz TUUOBRVMXWYPIU-TZMCWYRMSA-N 2 0 314.861 2.318 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358183888 133126826 /nfs/dbraw/zinc/12/68/26/133126826.db2.gz FVKGCUXBBPCCAM-QGZVFWFLSA-N 2 0 322.497 2.202 10 0 DEAERP CC[C@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000360468114 133184246 /nfs/dbraw/zinc/18/42/46/133184246.db2.gz UFNSNAQLMOTEJD-APWZRJJASA-N 2 0 317.477 2.403 10 0 DEAERP C[C@H]1CCC[C@@](CNC(=O)CC2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000362605752 133241654 /nfs/dbraw/zinc/24/16/54/133241654.db2.gz IIMSQWMJLZMZPI-MAUKXSAKSA-N 2 0 309.498 2.345 10 0 DEAERP C[N@H+](CCCNC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000247218975 145129538 /nfs/dbraw/zinc/12/95/38/145129538.db2.gz BNZLDFOBCPWHEG-KRWDZBQOSA-N 2 0 322.497 2.131 10 0 DEAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152015 145149456 /nfs/dbraw/zinc/14/94/56/145149456.db2.gz QWCONAKWUHUDNP-CZUORRHYSA-N 2 0 305.397 2.180 10 0 DEAERP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248828799 145169040 /nfs/dbraw/zinc/16/90/40/145169040.db2.gz APXBVRKYRCBVTB-UXLLHSPISA-N 2 0 303.450 2.283 10 0 DEAERP C[C@@]1(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC[NH2+]C1 ZINC000261719962 145219655 /nfs/dbraw/zinc/21/96/55/145219655.db2.gz FSLUKQNFMLFICV-GOSISDBHSA-N 2 0 302.466 2.398 10 0 DEAERP C[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000261737738 145222120 /nfs/dbraw/zinc/22/21/20/145222120.db2.gz NQEHMCIDXFYYSS-LAQRGFTBSA-N 2 0 315.461 2.408 10 0 DEAERP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261805742 145228031 /nfs/dbraw/zinc/22/80/31/145228031.db2.gz HIMKKMUELKYRPX-HZPDHXFCSA-N 2 0 301.434 2.337 10 0 DEAERP C[NH2+]CCc1ccccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000261909786 145240459 /nfs/dbraw/zinc/24/04/59/145240459.db2.gz QAGNFOBXZORGRF-UHFFFAOYSA-N 2 0 315.461 2.149 10 0 DEAERP CCN(CC)C(=O)CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261914129 145241234 /nfs/dbraw/zinc/24/12/34/145241234.db2.gz YYLNSTWBPVCEQZ-SFHVURJKSA-N 2 0 309.498 2.347 10 0 DEAERP C[C@@]1(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)CC[NH2+]C1 ZINC000261919985 145241678 /nfs/dbraw/zinc/24/16/78/145241678.db2.gz BLSSZZDOWHXWGN-VQIMIIECSA-N 2 0 315.461 2.128 10 0 DEAERP CCn1c2ccccc2c2cc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC000263222089 145337919 /nfs/dbraw/zinc/33/79/19/145337919.db2.gz LZZKCRXEXSQZSZ-YWZLYKJASA-N 2 0 323.440 2.484 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)C[C@@H]1C ZINC000358648674 147173482 /nfs/dbraw/zinc/17/34/82/147173482.db2.gz MSBDCVWUUWGYTM-IRXDYDNUSA-N 2 0 322.497 2.153 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000079689762 401879776 /nfs/dbraw/zinc/87/97/76/401879776.db2.gz LZXRHGIIKKSOQS-HZPDHXFCSA-N 2 0 312.502 2.138 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000123468873 402129313 /nfs/dbraw/zinc/12/93/13/402129313.db2.gz YEHTWCUMEPPRAF-BBWFWOEESA-N 2 0 324.513 2.135 10 0 DEAERP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000124620149 402188911 /nfs/dbraw/zinc/18/89/11/402188911.db2.gz QKYZJSOREIPEPQ-ROUUACIJSA-N 3 0 322.541 2.009 10 0 DEAERP [NH3+]CC1(CC(=O)N2CCC([NH+]3CCCC3)CC2)CCCCC1 ZINC000185351780 402346598 /nfs/dbraw/zinc/34/65/98/402346598.db2.gz LSAPSHHBXOINFP-UHFFFAOYSA-N 2 0 307.482 2.373 10 0 DEAERP C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]C1 ZINC000237394860 402407350 /nfs/dbraw/zinc/40/73/50/402407350.db2.gz WWBYJEGWQLXUCW-BFZKSOEOSA-N 2 0 307.482 2.144 10 0 DEAERP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186214281 402411509 /nfs/dbraw/zinc/41/15/09/402411509.db2.gz XXGIYPOXGMHVJK-IAGOWNOFSA-N 2 0 310.482 2.425 10 0 DEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000178295722 402481071 /nfs/dbraw/zinc/48/10/71/402481071.db2.gz MJHFXNJSFUYPPP-INIZCTEOSA-N 2 0 304.438 2.059 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000246721395 402542195 /nfs/dbraw/zinc/54/21/95/402542195.db2.gz YSJAVPPKEXXTBQ-BRWVUGGUSA-N 2 0 324.513 2.088 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246962879 402551543 /nfs/dbraw/zinc/55/15/43/402551543.db2.gz JWLBDBMIPHLSKL-LSDHHAIUSA-N 2 0 312.502 2.136 10 0 DEAERP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178978912 402561395 /nfs/dbraw/zinc/56/13/95/402561395.db2.gz KGMVEMVWYDKLHB-INIZCTEOSA-N 2 0 316.449 2.040 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccco1 ZINC000171192951 402565105 /nfs/dbraw/zinc/56/51/05/402565105.db2.gz URNRDFNZJOIGCO-LSDHHAIUSA-N 2 0 322.453 2.056 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000247479054 402568858 /nfs/dbraw/zinc/56/88/58/402568858.db2.gz VYOOYDLOTCINBQ-VQHPVUNQSA-N 2 0 324.513 2.135 10 0 DEAERP C[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000190651322 402615977 /nfs/dbraw/zinc/61/59/77/402615977.db2.gz RGAJXBWYIAFTAO-OAHLLOKOSA-N 2 0 322.449 2.431 10 0 DEAERP CO[C@@H]1C[NH+](C/C=C/C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251931118 402651556 /nfs/dbraw/zinc/65/15/56/402651556.db2.gz TXEKBEJYXOVQTQ-YWLVWCMISA-N 2 0 310.482 2.256 10 0 DEAERP Clc1ccccc1C[NH+]1CCC(CNC2=[NH+]CCCN2)CC1 ZINC000263152813 402745419 /nfs/dbraw/zinc/74/54/19/402745419.db2.gz MFIJAXHUAWSZKK-UHFFFAOYSA-N 2 0 320.868 2.491 10 0 DEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000263253201 402750587 /nfs/dbraw/zinc/75/05/87/402750587.db2.gz KAWBSNKVGXCYBZ-NCOADZHNSA-N 2 0 307.482 2.144 10 0 DEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000183370340 402761105 /nfs/dbraw/zinc/76/11/05/402761105.db2.gz DIVKVFOJFPKHOK-KRWDZBQOSA-N 2 0 318.465 2.388 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)[nH+]1 ZINC000175252823 402791369 /nfs/dbraw/zinc/79/13/69/402791369.db2.gz PUXDFTZAGUYNFQ-JKSUJKDBSA-N 2 0 318.465 2.379 10 0 DEAERP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516171 402849803 /nfs/dbraw/zinc/84/98/03/402849803.db2.gz ONPYGJPHAVJWRB-HNNXBMFYSA-N 2 0 318.465 2.429 10 0 DEAERP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@H]21 ZINC000333135442 403674299 /nfs/dbraw/zinc/67/42/99/403674299.db2.gz BMWYOTUVZDCIJL-RBSFLKMASA-N 2 0 301.438 2.031 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333384074 403739570 /nfs/dbraw/zinc/73/95/70/403739570.db2.gz NXBHLDXTCWJMAH-HZPDHXFCSA-N 2 0 324.513 2.328 10 0 DEAERP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333940272 403901795 /nfs/dbraw/zinc/90/17/95/403901795.db2.gz NXBNOYKBWNJDQO-QGZVFWFLSA-N 2 0 322.497 2.082 10 0 DEAERP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000397496966 405059026 /nfs/dbraw/zinc/05/90/26/405059026.db2.gz FLFVYJBLVNRMGI-DOTOQJQBSA-N 2 0 320.502 2.497 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836166 405704309 /nfs/dbraw/zinc/70/43/09/405704309.db2.gz QXYDUWYRZNTNQW-CGTJXYLNSA-N 2 0 317.477 2.244 10 0 DEAERP [NH3+]CCCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851524 405715733 /nfs/dbraw/zinc/71/57/33/405715733.db2.gz NPFQIAQXIGLKIM-KRWDZBQOSA-N 2 0 303.450 2.286 10 0 DEAERP c1cc(C[NH+]2CCC(C[NH2+]CCC[C@H]3CCO3)CC2)ccn1 ZINC000639311311 406037269 /nfs/dbraw/zinc/03/72/69/406037269.db2.gz LDOHRLFHBWEKPP-SFHVURJKSA-N 2 0 303.450 2.452 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118546 406579560 /nfs/dbraw/zinc/57/95/60/406579560.db2.gz AKHSFJKQKXDBTQ-QAPCUYQASA-N 2 0 315.461 2.013 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638119776 406580179 /nfs/dbraw/zinc/58/01/79/406580179.db2.gz VTAQFYFIKLUILD-ZTFGCOKTSA-N 2 0 313.445 2.061 10 0 DEAERP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000638300413 406683221 /nfs/dbraw/zinc/68/32/21/406683221.db2.gz FORDJWKEZUQISA-RDJZCZTQSA-N 2 0 305.466 2.387 10 0 DEAERP CCc1nn(C)c(C[C@H]([NH3+])C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Cl ZINC000129123410 196020997 /nfs/dbraw/zinc/02/09/97/196020997.db2.gz DFMXULWQJGKZEO-WVMKXHBISA-N 2 0 310.873 2.379 10 0 DEAERP CCC(CC)(C[NH2+]C(C)C)C[NH+]1CCC(OCCO)CC1 ZINC000129426702 196047361 /nfs/dbraw/zinc/04/73/61/196047361.db2.gz PASUAULDQVXXAL-UHFFFAOYSA-N 2 0 300.487 2.264 10 0 DEAERP [NH3+]C1CC[NH+]([C@@H]2CCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000130810646 196111645 /nfs/dbraw/zinc/11/16/45/196111645.db2.gz FANPFGXNCCGHGX-OAHLLOKOSA-N 2 0 311.832 2.477 10 0 DEAERP C[N@@H+]1CCC[C@@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000134375968 196383755 /nfs/dbraw/zinc/38/37/55/196383755.db2.gz RJMWKASHQMHXDZ-CQSZACIVSA-N 2 0 323.238 2.048 10 0 DEAERP COC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CCOCC1 ZINC000188018295 225007120 /nfs/dbraw/zinc/00/71/20/225007120.db2.gz MYNBMVGYJAWDNG-SFHVURJKSA-N 2 0 324.440 2.419 10 0 DEAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380937966 424908860 /nfs/dbraw/zinc/90/88/60/424908860.db2.gz KYKCLCPYVIMOFR-FGTMMUONSA-N 2 0 315.461 2.142 10 0 DEAERP C[C@H]1CNC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000401795139 424923773 /nfs/dbraw/zinc/92/37/73/424923773.db2.gz DZHRFUQCNCSDRN-APWZRJJASA-N 2 0 301.478 2.486 10 0 DEAERP C[C@H]1CNC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000401795147 424923849 /nfs/dbraw/zinc/92/38/49/424923849.db2.gz DZHRFUQCNCSDRN-VQIMIIECSA-N 2 0 301.478 2.486 10 0 DEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccccc1I ZINC000575439659 424946755 /nfs/dbraw/zinc/94/67/55/424946755.db2.gz TWCLFSYQIKQQGJ-LLVKDONJSA-N 2 0 304.175 2.420 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000390573400 269097058 /nfs/dbraw/zinc/09/70/58/269097058.db2.gz CQJAKGDIXHRIFL-LMMKCTJWSA-N 2 0 301.478 2.438 10 0 DEAERP C[C@@H](CC(N)=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499192835 269303374 /nfs/dbraw/zinc/30/33/74/269303374.db2.gz QNHKSXXYTYAHFG-LLLHUVSDSA-N 2 0 301.434 2.036 10 0 DEAERP COCC[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000176106410 274038898 /nfs/dbraw/zinc/03/88/98/274038898.db2.gz APQBUCXCMIUWHK-VQIMIIECSA-N 2 0 320.477 2.447 10 0 DEAERP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105166828 277149885 /nfs/dbraw/zinc/14/98/85/277149885.db2.gz MFRPKIVDNINQDD-MRXNPFEDSA-N 2 0 322.497 2.129 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000175385636 279309420 /nfs/dbraw/zinc/30/94/20/279309420.db2.gz UAPZPGXDSFUHFU-QGZVFWFLSA-N 2 0 322.497 2.131 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175364680 279309980 /nfs/dbraw/zinc/30/99/80/279309980.db2.gz DTGIJHDXPMPGTF-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C2)[nH+]1 ZINC000195516197 281246126 /nfs/dbraw/zinc/24/61/26/281246126.db2.gz QPNNKEXYTSZWRO-HOTGVXAUSA-N 2 0 318.465 2.285 10 0 DEAERP CN(C)C(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000582702388 337122128 /nfs/dbraw/zinc/12/21/28/337122128.db2.gz LQDJPEKDHUHTJI-KRWDZBQOSA-N 2 0 309.498 2.443 10 0 DEAERP c1ccc(CCC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000420386792 534484583 /nfs/dbraw/zinc/48/45/83/534484583.db2.gz IUCVNGYDEDASMW-MSOLQXFVSA-N 2 0 300.446 2.320 10 0 DEAERP CCC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000132352028 520978670 /nfs/dbraw/zinc/97/86/70/520978670.db2.gz DYWGEDUIUJSNSU-MRXNPFEDSA-N 2 0 309.429 2.104 10 0 DEAERP CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000157340712 521850244 /nfs/dbraw/zinc/85/02/44/521850244.db2.gz BGZGGPVAGSCPBW-KRWDZBQOSA-N 2 0 303.450 2.239 10 0 DEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448281084 528221507 /nfs/dbraw/zinc/22/15/07/528221507.db2.gz KWUVHZUJOBUMAC-KBAYOESNSA-N 2 0 319.493 2.336 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C12CCOCC2 ZINC000249025515 535407173 /nfs/dbraw/zinc/40/71/73/535407173.db2.gz RLKOKSXXTOBOFH-GVDBMIGSSA-N 2 0 310.482 2.282 10 0 DEAERP CCN(C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960254 535771005 /nfs/dbraw/zinc/77/10/05/535771005.db2.gz HFFQQPNZQBWVQC-KBPBESRZSA-N 2 0 307.404 2.192 10 0 DEAERP C[NH+](C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000362564038 536126643 /nfs/dbraw/zinc/12/66/43/536126643.db2.gz GMSXBLAHRPNXRK-KRWDZBQOSA-N 2 0 309.498 2.345 10 0 DEAERP CCOC(=O)[C@@H](F)[C@H](C)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000134747565 684229923 /nfs/dbraw/zinc/22/99/23/684229923.db2.gz WNNZOVQBUXHFHT-NHYWBVRUSA-N 2 0 314.376 2.267 10 0 DEAERP Cn1cccc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886041381 691990158 /nfs/dbraw/zinc/99/01/58/691990158.db2.gz PKTPNNNGNVYMIQ-GOSISDBHSA-N 2 0 314.433 2.135 10 0 DEAERP CO[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397501792 790193880 /nfs/dbraw/zinc/19/38/80/790193880.db2.gz ZPFOMGKEZSNMAE-ZWKOTPCHSA-N 2 0 318.461 2.171 10 0 DEAERP C[NH+](C)C1CCC([NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000715508737 792471066 /nfs/dbraw/zinc/47/10/66/792471066.db2.gz KXMQHRKIQFQCMI-UHFFFAOYSA-N 2 0 301.232 2.135 10 0 DEAERP COC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677600 792984266 /nfs/dbraw/zinc/98/42/66/792984266.db2.gz GPPNEXQFSVDBHP-VJANTYMQSA-N 2 0 318.461 2.027 10 0 DEAERP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)NC ZINC000716714778 793004011 /nfs/dbraw/zinc/00/40/11/793004011.db2.gz WFZWQQCKJNUPMB-XSLAGTTESA-N 2 0 315.461 2.154 10 0 DEAERP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000701867898 1086388081 /nfs/dbraw/zinc/38/80/81/1086388081.db2.gz ODCNLYPQHIGWIK-CQDIZWNASA-N 2 0 323.481 2.458 10 0 DEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710973723 1086692349 /nfs/dbraw/zinc/69/23/49/1086692349.db2.gz RCWUCLPZXPWSSQ-AWEZNQCLSA-N 2 0 311.470 2.173 10 0 DEAERP CCO[C@@H]1C[N@H+](C[C@H](C)COCc2ccccc2)C[C@H]1C[NH3+] ZINC000719396199 1089083337 /nfs/dbraw/zinc/08/33/37/1089083337.db2.gz FKYVJWYVLSCRTE-CGTJXYLNSA-N 2 0 306.450 2.135 10 0 DEAERP CC(C)[N@H+](C)CCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724040872 1143897680 /nfs/dbraw/zinc/89/76/80/1143897680.db2.gz KZXIKCQLEDRESI-JTQLQIEISA-N 2 0 306.319 2.255 10 0 DEAERP C[NH+](C)CCN[C@H](C[NH3+])c1cc(Cl)ccc1Br ZINC000090251830 185288121 /nfs/dbraw/zinc/28/81/21/185288121.db2.gz LYIHSEIMSCSHJK-GFCCVEGCSA-N 2 0 320.662 2.254 10 0 DEAERP CC[NH2+]Cc1c(N(C)C[C@H]2CCC[N@@H+]2C)nc2sccn12 ZINC000092633005 185330326 /nfs/dbraw/zinc/33/03/26/185330326.db2.gz AXCJUAPAZLPFHQ-GFCCVEGCSA-N 2 0 307.467 2.036 10 0 DEAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170855492 282262749 /nfs/dbraw/zinc/26/27/49/282262749.db2.gz HVMBEFWYHAZBJH-MSOLQXFVSA-N 2 0 315.461 2.061 10 0 DEAERP CC(C)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000167667632 539611685 /nfs/dbraw/zinc/61/16/85/539611685.db2.gz XCWDZIXIHOOQLQ-GOSISDBHSA-N 2 0 317.477 2.483 10 0 DEAERP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171471463 186165402 /nfs/dbraw/zinc/16/54/02/186165402.db2.gz GMBARYSWMSLSII-MSOLQXFVSA-N 2 0 315.461 2.376 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000309730799 539878649 /nfs/dbraw/zinc/87/86/49/539878649.db2.gz OZRONCHGRXLOMA-RDJZCZTQSA-N 2 0 303.450 2.013 10 0 DEAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC2=[NH+]CCCN2)C1 ZINC000066243174 354705721 /nfs/dbraw/zinc/70/57/21/354705721.db2.gz UHSCBGWAWXQSIK-OAHLLOKOSA-N 2 0 300.450 2.357 10 0 DEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000404296036 540145449 /nfs/dbraw/zinc/14/54/49/540145449.db2.gz CYBVNEGOVQDBJR-CUSZFKRNSA-N 2 0 315.461 2.106 10 0 DEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[NH2+][C@@H](C)C2)CC1 ZINC000092454942 355634109 /nfs/dbraw/zinc/63/41/09/355634109.db2.gz AVDXLAXBJNXENE-KRWDZBQOSA-N 2 0 316.493 2.012 10 0 DEAERP C[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000379658856 356668454 /nfs/dbraw/zinc/66/84/54/356668454.db2.gz XSGYGXKOGRKCRT-HKUYNNGSSA-N 2 0 315.461 2.299 10 0 DEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(Br)cc1 ZINC000091313768 193038772 /nfs/dbraw/zinc/03/87/72/193038772.db2.gz JCQJCHQVZPIGOC-AWEZNQCLSA-N 2 0 313.239 2.259 10 0 DEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@@H]1c1ccc(SC)cc1 ZINC000093382265 193240444 /nfs/dbraw/zinc/24/04/44/193240444.db2.gz GLEJEHUKPWSLEZ-OAHLLOKOSA-N 2 0 306.479 2.422 10 0 DEAERP CC[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](CCOC)CC(C)C ZINC000093617318 193275354 /nfs/dbraw/zinc/27/53/54/193275354.db2.gz SWIZLCKRIKPPOR-IRXDYDNUSA-N 2 0 300.487 2.122 10 0 DEAERP CCC(CC)[N@H+](CCOC)CC[C@@H]1CCC[C@@]1(CO)[NH2+]C ZINC000093617878 193275498 /nfs/dbraw/zinc/27/54/98/193275498.db2.gz UNQOWJKBICOAEG-RDJZCZTQSA-N 2 0 300.487 2.264 10 0 DEAERP C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CC[NH2+]CC1 ZINC000094024324 193340338 /nfs/dbraw/zinc/34/03/38/193340338.db2.gz DWLPYKHVXGVILV-UHFFFAOYSA-N 2 0 313.804 2.349 10 0 DEAERP COc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000153675772 291574573 /nfs/dbraw/zinc/57/45/73/291574573.db2.gz SKVQGRUACBIWCS-ZIAGYGMSSA-N 2 0 309.429 2.121 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357968265 535449069 /nfs/dbraw/zinc/44/90/69/535449069.db2.gz CPGRFEYIKXATLL-OAHLLOKOSA-N 2 0 312.502 2.136 10 0 DEAERP CC1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000047971456 183611613 /nfs/dbraw/zinc/61/16/13/183611613.db2.gz OGAFDSJGRBBBFF-UHFFFAOYSA-N 2 0 307.482 2.053 10 0 DEAERP CC(C)C[NH2+]Cc1c(N(C)CC[NH+](C)C)nc2sccn12 ZINC000111140297 194394431 /nfs/dbraw/zinc/39/44/31/194394431.db2.gz AAZCFHBHYZDUMH-UHFFFAOYSA-N 2 0 309.483 2.139 10 0 DEAERP NNc1ccc(Cl)c(CN2CC[C@H]([NH+]3CCCCC3)C2)[nH+]1 ZINC000062969629 184263698 /nfs/dbraw/zinc/26/36/98/184263698.db2.gz AVNWUCXKLZGWNK-LBPRGKRZSA-N 2 0 309.845 2.081 10 0 DEAERP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000158990957 197317412 /nfs/dbraw/zinc/31/74/12/197317412.db2.gz DTXCLPIVPHQDPC-ZWKOTPCHSA-N 2 0 317.477 2.498 10 0 DEAERP C[C@@H](CC[NH+]1CCN(c2nccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000156267195 197100054 /nfs/dbraw/zinc/10/00/54/197100054.db2.gz XHJDWESKVDXGID-LSDHHAIUSA-N 2 0 308.495 2.291 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245462681 285236528 /nfs/dbraw/zinc/23/65/28/285236528.db2.gz GRCHONBKMLJNFW-HZPDHXFCSA-N 2 0 312.502 2.088 10 0 DEAERP Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H](C[NH+]3CCCC3)[C@@H]2C1 ZINC000248142343 257108581 /nfs/dbraw/zinc/10/85/81/257108581.db2.gz QQNOKSQNISMKCC-IKGGRYGDSA-N 2 0 302.466 2.364 10 0 DEAERP Fc1cccc(CN2C[C@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000503716980 257209460 /nfs/dbraw/zinc/20/94/60/257209460.db2.gz OHBAZHFPOZUHPA-HOTGVXAUSA-N 2 0 304.409 2.368 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000360416881 133181004 /nfs/dbraw/zinc/18/10/04/133181004.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 2 0 311.514 2.055 10 0 DEAERP c1ccc(N2CCOCC2)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563136184 292033734 /nfs/dbraw/zinc/03/37/34/292033734.db2.gz GWQVFCLZWXOCGI-IBGZPJMESA-N 2 0 315.461 2.099 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246951101 145120282 /nfs/dbraw/zinc/12/02/82/145120282.db2.gz DCIRCPMFZXKLSU-HOTGVXAUSA-N 2 0 310.486 2.034 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000247401410 145135781 /nfs/dbraw/zinc/13/57/81/145135781.db2.gz RCDGLULTMGDLGJ-WMLDXEAASA-N 2 0 303.450 2.207 10 0 DEAERP OCC1([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000248409386 145153705 /nfs/dbraw/zinc/15/37/05/145153705.db2.gz FXDGVNFCNHEOSI-FGTMMUONSA-N 2 0 300.446 2.402 10 0 DEAERP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539368 145206108 /nfs/dbraw/zinc/20/61/08/145206108.db2.gz CFUIBHYAZDDEPZ-CGTJXYLNSA-N 2 0 315.461 2.013 10 0 DEAERP Cc1ccccc1C(=O)NC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261776724 145225026 /nfs/dbraw/zinc/22/50/26/145225026.db2.gz NKWYECMJYJROCR-LJQANCHMSA-N 2 0 315.461 2.189 10 0 DEAERP C[NH2+]CCC1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000261986786 145250480 /nfs/dbraw/zinc/25/04/80/145250480.db2.gz KFZFGAXWQWIRGT-UHFFFAOYSA-N 2 0 306.450 2.404 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3C[C@@H](C)[NH2+]C[C@H]3C)sc2C1 ZINC000262014983 145253106 /nfs/dbraw/zinc/25/31/06/145253106.db2.gz MQKOACRZYHOLDJ-CHWSQXEVSA-N 2 0 308.495 2.092 10 0 DEAERP Cc1ccc(NC(=O)C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)nc1 ZINC000262038303 145256371 /nfs/dbraw/zinc/25/63/71/145256371.db2.gz OWUXXCQRRAGZJO-SFHVURJKSA-N 2 0 316.449 2.040 10 0 DEAERP O=C(NCC[NH2+]C1CCCCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262233114 145270921 /nfs/dbraw/zinc/27/09/21/145270921.db2.gz QRRSTUCCQYBWFL-MAUKXSAKSA-N 2 0 307.482 2.195 10 0 DEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262393055 145281702 /nfs/dbraw/zinc/28/17/02/145281702.db2.gz PXMAFBMOUKUJRO-JYJNAYRXSA-N 2 0 309.498 2.391 10 0 DEAERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000262433120 145283514 /nfs/dbraw/zinc/28/35/14/145283514.db2.gz RXSVGMHVSRKAGW-RDJZCZTQSA-N 2 0 315.461 2.155 10 0 DEAERP CC(C)c1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000262429693 145283594 /nfs/dbraw/zinc/28/35/94/145283594.db2.gz FSJKYDGTSOCKPH-JKSUJKDBSA-N 2 0 301.434 2.290 10 0 DEAERP C[C@H](CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000262455140 145284845 /nfs/dbraw/zinc/28/48/45/145284845.db2.gz VCZQYCVLLNINON-JZXOWHBKSA-N 2 0 317.477 2.401 10 0 DEAERP Clc1cccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)c1 ZINC000262530543 145290338 /nfs/dbraw/zinc/29/03/38/145290338.db2.gz PMSVEHWEKXCGAY-QWHCGFSZSA-N 2 0 318.808 2.431 10 0 DEAERP COC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000358430349 147132741 /nfs/dbraw/zinc/13/27/41/147132741.db2.gz GYYUHHBOABTXMX-IPQPSQTFSA-N 2 0 318.461 2.433 10 0 DEAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000370763215 148053630 /nfs/dbraw/zinc/05/36/30/148053630.db2.gz HBLJMKFFOJRCMX-RCCFBDPRSA-N 2 0 315.461 2.142 10 0 DEAERP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000127812794 401751211 /nfs/dbraw/zinc/75/12/11/401751211.db2.gz QHYOTFKJSMOBDT-CVEARBPZSA-N 2 0 312.502 2.090 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000113600767 401783328 /nfs/dbraw/zinc/78/33/28/401783328.db2.gz DCIRCPMFZXKLSU-CVEARBPZSA-N 2 0 310.486 2.034 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000077714543 401827338 /nfs/dbraw/zinc/82/73/38/401827338.db2.gz FHNWCSNNSXUKHX-MRXNPFEDSA-N 2 0 312.502 2.138 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000132331643 401865769 /nfs/dbraw/zinc/86/57/69/401865769.db2.gz JVSGPABIGGJRKC-IRXDYDNUSA-N 2 0 324.513 2.136 10 0 DEAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154713165 402227264 /nfs/dbraw/zinc/22/72/64/402227264.db2.gz PFWXLACWYIAILP-KRWDZBQOSA-N 2 0 309.498 2.345 10 0 DEAERP CC[N@H+](CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000107843718 402241798 /nfs/dbraw/zinc/24/17/98/402241798.db2.gz QSDBCKAURUPICC-QGZVFWFLSA-N 2 0 322.497 2.131 10 0 DEAERP C[N@H+](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)C1CCCC1 ZINC000105294400 402207726 /nfs/dbraw/zinc/20/77/26/402207726.db2.gz UABUFDQMJBLURB-UHFFFAOYSA-N 2 0 322.497 2.131 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)C12CCOCC2 ZINC000186215046 402411435 /nfs/dbraw/zinc/41/14/35/402411435.db2.gz MKKUHZREMIVLQC-DLBZAZTESA-N 2 0 310.482 2.426 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246238719 402519521 /nfs/dbraw/zinc/51/95/21/402519521.db2.gz IPJRKXNUHHJJAH-BBWFWOEESA-N 2 0 307.482 2.145 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000246553909 402536345 /nfs/dbraw/zinc/53/63/45/402536345.db2.gz YSTNGUSBCVTXCM-VQHPVUNQSA-N 2 0 324.513 2.231 10 0 DEAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171807574 402623974 /nfs/dbraw/zinc/62/39/74/402623974.db2.gz XNMIZGJDUPERRB-MRXNPFEDSA-N 2 0 302.422 2.060 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)CCO3)CC1 ZINC000171929622 402633936 /nfs/dbraw/zinc/63/39/36/402633936.db2.gz PTQBQRONXVTDAR-HNNXBMFYSA-N 2 0 318.461 2.146 10 0 DEAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000249982135 402643672 /nfs/dbraw/zinc/64/36/72/402643672.db2.gz YSVWZOOCZYZVIT-YJBOKZPZSA-N 2 0 306.450 2.015 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000173327947 402692937 /nfs/dbraw/zinc/69/29/37/402692937.db2.gz LQFGGGRGRLHKPZ-DLBZAZTESA-N 2 0 324.513 2.373 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000194938136 402823446 /nfs/dbraw/zinc/82/34/46/402823446.db2.gz NKXISARHYYDAGW-UHFFFAOYSA-N 2 0 324.513 2.284 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000194960061 402824507 /nfs/dbraw/zinc/82/45/07/402824507.db2.gz UARUWUSRMQAZMY-MRXNPFEDSA-N 2 0 310.486 2.034 10 0 DEAERP C[C@H](CCNC(=O)c1cnccc1N(C)C)[NH+]1CCCCC1 ZINC000184441664 402843904 /nfs/dbraw/zinc/84/39/04/402843904.db2.gz UIPNCZOOYKKBDA-CQSZACIVSA-N 2 0 304.438 2.142 10 0 DEAERP Cc1cn2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2n1 ZINC000266768324 402989931 /nfs/dbraw/zinc/98/99/31/402989931.db2.gz RTFNNFIIDZYWAP-CABCVRRESA-N 2 0 313.405 2.343 10 0 DEAERP C(C[NH+]1CCOCC1)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347396698 403694357 /nfs/dbraw/zinc/69/43/57/403694357.db2.gz WMSHWUFUZKXMJX-SFHVURJKSA-N 2 0 310.482 2.380 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000377571363 404839847 /nfs/dbraw/zinc/83/98/47/404839847.db2.gz KCDZGPRNICMHSE-BFYDXBDKSA-N 2 0 303.450 2.011 10 0 DEAERP Cc1nc(C2(NCCc3cncn3C)CCCCCC2)no1 ZINC000459354095 405867756 /nfs/dbraw/zinc/86/77/56/405867756.db2.gz OGQCHELRSIQRAT-UHFFFAOYSA-N 2 0 303.410 2.493 10 0 DEAERP c1ccc2c(c1)CC[C@H](C[NH2+]CCCC[NH+]1CCOCC1)C2 ZINC000638370170 406731137 /nfs/dbraw/zinc/73/11/37/406731137.db2.gz JGLBFXYLLNZHAD-KRWDZBQOSA-N 2 0 302.462 2.494 10 0 DEAERP CCc1nn(C)c(C[C@@H]([NH3+])C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Cl ZINC000129123635 196021053 /nfs/dbraw/zinc/02/10/53/196021053.db2.gz DFMXULWQJGKZEO-PSEXLTFBSA-N 2 0 310.873 2.379 10 0 DEAERP Cc1nc([C@@H](C)[N@@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c(C)s1 ZINC000130625964 196096934 /nfs/dbraw/zinc/09/69/34/196096934.db2.gz RHIOIVKZZPXYQH-ABAIWWIYSA-N 2 0 308.495 2.318 10 0 DEAERP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000195258115 225199923 /nfs/dbraw/zinc/19/99/23/225199923.db2.gz JNWTVPWQAOPXMS-HNNXBMFYSA-N 2 0 311.495 2.368 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390750920 424917831 /nfs/dbraw/zinc/91/78/31/424917831.db2.gz SIIXPVXWJJQBFX-SJORKVTESA-N 2 0 303.450 2.141 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccs2)[C@H](C)C1 ZINC000089640695 276228808 /nfs/dbraw/zinc/22/88/08/276228808.db2.gz CJLKGSWBWAUASG-KGLIPLIRSA-N 2 0 309.479 2.188 10 0 DEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261735697 279091996 /nfs/dbraw/zinc/09/19/96/279091996.db2.gz NGHJBUOQUGGKDI-KSZLIROESA-N 2 0 321.509 2.488 10 0 DEAERP CN(C(=O)C[C@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190153468 281750019 /nfs/dbraw/zinc/75/00/19/281750019.db2.gz JZJWIQSIKZREDF-QGZVFWFLSA-N 2 0 315.461 2.109 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000246260731 521718107 /nfs/dbraw/zinc/71/81/07/521718107.db2.gz LASMEGGLEJSSBE-MKXAEBJUSA-N 2 0 307.482 2.096 10 0 DEAERP C[C@H](CC[NH2+]C1CCN(C(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000156199713 524193930 /nfs/dbraw/zinc/19/39/30/524193930.db2.gz IUMJHNHGSFJASG-OAHLLOKOSA-N 2 0 318.465 2.030 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246281079 535874257 /nfs/dbraw/zinc/87/42/57/535874257.db2.gz JZVIEWATNJGQKA-BZUAXINKSA-N 2 0 324.513 2.231 10 0 DEAERP Cc1nc(N)nc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309743493 625547333 /nfs/dbraw/zinc/54/73/33/625547333.db2.gz SRPISSRFRLVZLF-KRWDZBQOSA-N 2 0 312.421 2.086 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261547906 648428288 /nfs/dbraw/zinc/42/82/88/648428288.db2.gz MTVIRHDNXHLMLW-WBVHZDCISA-N 2 0 317.477 2.401 10 0 DEAERP COC(OC)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381757094 685402298 /nfs/dbraw/zinc/40/22/98/685402298.db2.gz GTONBNPIIOTJRC-HLLBOEOZSA-N 2 0 306.450 2.494 10 0 DEAERP Cc1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N)[nH+]1 ZINC000382894774 685405049 /nfs/dbraw/zinc/40/50/49/685405049.db2.gz LMSDOXCLKVKYDF-HNNXBMFYSA-N 2 0 311.433 2.298 10 0 DEAERP O[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638677 792981832 /nfs/dbraw/zinc/98/18/32/792981832.db2.gz PUYHTDDGTYRZBK-OYSTVDSJSA-N 2 0 300.446 2.400 10 0 DEAERP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401747424 801849159 /nfs/dbraw/zinc/84/91/59/801849159.db2.gz LDHKSNOITOODCU-HOCLYGCPSA-N 2 0 323.481 2.483 10 0 DEAERP c1cn(-c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2)cn1 ZINC000078455513 1080616482 /nfs/dbraw/zinc/61/64/82/1080616482.db2.gz CLRNNWDAQVIFGK-UHFFFAOYSA-N 2 0 314.433 2.074 10 0 DEAERP C[NH2+]CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000719657716 1092378181 /nfs/dbraw/zinc/37/81/81/1092378181.db2.gz BGEMLZKTVIJEIZ-KRWDZBQOSA-N 2 0 303.450 2.014 10 0 DEAERP [NH3+]C[C@]1(Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000087915086 185237462 /nfs/dbraw/zinc/23/74/62/185237462.db2.gz RBYNBEFMHJROJJ-CQSZACIVSA-N 2 0 310.239 2.427 10 0 DEAERP CC1CC[NH+](Cc2ccccc2CNC2=[NH+]CCCN2)CC1 ZINC000066243199 354705928 /nfs/dbraw/zinc/70/59/28/354705928.db2.gz LJIVOWZWQWKONJ-UHFFFAOYSA-N 2 0 300.450 2.357 10 0 DEAERP C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661776 356208867 /nfs/dbraw/zinc/20/88/67/356208867.db2.gz JFKNBGKIDGOUHU-UXLLHSPISA-N 2 0 312.498 2.405 10 0 DEAERP C[N@H+](CCCNC(=O)C[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000309536883 356410289 /nfs/dbraw/zinc/41/02/89/356410289.db2.gz IREPTVFCRVHZAA-QGZVFWFLSA-N 2 0 303.450 2.014 10 0 DEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000236907923 202064838 /nfs/dbraw/zinc/06/48/38/202064838.db2.gz NBSMPRBRRGRREV-IAGOWNOFSA-N 2 0 303.450 2.272 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000608712801 361253790 /nfs/dbraw/zinc/25/37/90/361253790.db2.gz NGRHIBVHCDEWIQ-KRWDZBQOSA-N 2 0 324.513 2.280 10 0 DEAERP COc1ccc(Cl)cc1C[C@H]([NH3+])[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720254 193096594 /nfs/dbraw/zinc/09/65/94/193096594.db2.gz YTPZWOCGMVCIEA-YCPHGPKFSA-N 2 0 310.825 2.082 10 0 DEAERP C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631844272 368420202 /nfs/dbraw/zinc/42/02/02/368420202.db2.gz WDHIKHNDPWZWOL-RYUDHWBXSA-N 2 0 313.239 2.355 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(Cl)cc1Cl ZINC000093374766 193240541 /nfs/dbraw/zinc/24/05/41/193240541.db2.gz JSUBHGAZGMFIAG-AWEZNQCLSA-N 2 0 315.248 2.401 10 0 DEAERP CC[NH2+][C@@H]1CCC[C@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093554554 193267173 /nfs/dbraw/zinc/26/71/73/193267173.db2.gz TXDOBADITRKTMJ-UONOGXRCSA-N 2 0 307.404 2.335 10 0 DEAERP CCC[NH2+][C@@]1(CO)CC[C@@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093857098 193319846 /nfs/dbraw/zinc/31/98/46/193319846.db2.gz ZYICVWIUZJKNEX-SJORKVTESA-N 2 0 300.487 2.407 10 0 DEAERP CC(C)[N@H+](C)CCCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635753 193385840 /nfs/dbraw/zinc/38/58/40/193385840.db2.gz NSXKJSYDRMDLGX-GJZGRUSLSA-N 2 0 304.500 2.052 10 0 DEAERP [NH3+]C[C@@H](c1ccccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457328 193370703 /nfs/dbraw/zinc/37/07/03/193370703.db2.gz SSQHDNKLLDPONK-DOMZBBRYSA-N 2 0 324.266 2.229 10 0 DEAERP Cc1ncsc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770308 183131411 /nfs/dbraw/zinc/13/14/11/183131411.db2.gz KSEFQWBHEPOVOD-HIFRSBDPSA-N 2 0 310.511 2.374 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105125113 194076280 /nfs/dbraw/zinc/07/62/80/194076280.db2.gz KLJFILVKUUMPDJ-JKSUJKDBSA-N 2 0 312.502 2.136 10 0 DEAERP CCOCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915712 194169250 /nfs/dbraw/zinc/16/92/50/194169250.db2.gz KHKHQNVDKSNNJZ-LJQANCHMSA-N 2 0 320.477 2.400 10 0 DEAERP C[N@H+](CCCCO)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915639 194169511 /nfs/dbraw/zinc/16/95/11/194169511.db2.gz BCNIIWMVONWFJQ-LJQANCHMSA-N 2 0 320.477 2.136 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111847428 194418300 /nfs/dbraw/zinc/41/83/00/194418300.db2.gz WZJPHBQVJMVKRE-UHFFFAOYSA-N 2 0 324.513 2.280 10 0 DEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711401 184248693 /nfs/dbraw/zinc/24/86/93/184248693.db2.gz OKGXLMXSMQJHBL-CQSZACIVSA-N 2 0 303.372 2.377 10 0 DEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711771 184248788 /nfs/dbraw/zinc/24/87/88/184248788.db2.gz MEEOVAYCHFUGCQ-RISCZKNCSA-N 2 0 301.356 2.130 10 0 DEAERP COCC[NH2+]Cc1c(Cl)cccc1N1CCC[N@H+](C)CC1 ZINC000062734910 184251526 /nfs/dbraw/zinc/25/15/26/184251526.db2.gz SUTPRFQVYYGBOF-UHFFFAOYSA-N 2 0 311.857 2.218 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000539417229 285076767 /nfs/dbraw/zinc/07/67/67/285076767.db2.gz HCFRWHUEGXSCEH-GOSISDBHSA-N 2 0 317.477 2.451 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156277911 197100867 /nfs/dbraw/zinc/10/08/67/197100867.db2.gz IFPAJPBDVDYJFO-IAGOWNOFSA-N 2 0 324.513 2.377 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000155571601 197068361 /nfs/dbraw/zinc/06/83/61/197068361.db2.gz WSPWAHPBCNVSNK-HZPDHXFCSA-N 2 0 312.502 2.136 10 0 DEAERP C[NH+](C)C(C)(C)COc1cc(Br)ccc1C(N)=[NH2+] ZINC000124338211 195630282 /nfs/dbraw/zinc/63/02/82/195630282.db2.gz XTOZMYISLDQQNE-UHFFFAOYSA-N 2 0 314.227 2.452 10 0 DEAERP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCC4OCCO4)C[C@H]3C2)cc1 ZINC000377778130 133346704 /nfs/dbraw/zinc/34/67/04/133346704.db2.gz OWABDGDJTJUHHI-QZTJIDSGSA-N 2 0 316.445 2.203 10 0 DEAERP Cc1cc(C)n(-c2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc2)n1 ZINC000193657664 145089169 /nfs/dbraw/zinc/08/91/69/145089169.db2.gz HLGINWXAHJOVNM-HDICACEKSA-N 2 0 310.445 2.483 10 0 DEAERP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195336323 145091485 /nfs/dbraw/zinc/09/14/85/145091485.db2.gz JMXSVWHROAUTFS-SFHVURJKSA-N 2 0 313.445 2.203 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246948763 145120451 /nfs/dbraw/zinc/12/04/51/145120451.db2.gz SAMNBPSGXXPMLY-MGNMYUMUSA-N 2 0 322.497 2.175 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261559654 145208145 /nfs/dbraw/zinc/20/81/45/145208145.db2.gz ZEJCLZSUTIPIEJ-BZSNNMDCSA-N 2 0 315.461 2.094 10 0 DEAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2c1NCC2 ZINC000261787639 145226349 /nfs/dbraw/zinc/22/63/49/145226349.db2.gz FYZMFDCLBNZBAJ-KURKYZTESA-N 2 0 315.461 2.338 10 0 DEAERP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000261810527 145228866 /nfs/dbraw/zinc/22/88/66/145228866.db2.gz MPSVRRMYQLRMGP-NAZJXLNTSA-N 2 0 315.461 2.248 10 0 DEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000261839265 145232509 /nfs/dbraw/zinc/23/25/09/145232509.db2.gz UWPDDKSJBZJSOK-RHSMWYFYSA-N 2 0 307.482 2.275 10 0 DEAERP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)ccc1C ZINC000261862355 145234300 /nfs/dbraw/zinc/23/43/00/145234300.db2.gz CEZQWFSUALGPBL-BRWVUGGUSA-N 2 0 304.434 2.250 10 0 DEAERP C[C@H]1C[C@H](CCNC2=[NH+]CCCN2)C[N@@H+]1Cc1ccccc1 ZINC000261862067 145234742 /nfs/dbraw/zinc/23/47/42/145234742.db2.gz NHVGXAAXOQTVDJ-RDJZCZTQSA-N 2 0 300.450 2.226 10 0 DEAERP CCOC(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)Cc2ccccc21 ZINC000261920480 145241794 /nfs/dbraw/zinc/24/17/94/145241794.db2.gz KJMXOIKSSYJNPD-KRWDZBQOSA-N 2 0 302.418 2.149 10 0 DEAERP Cc1cc(C(C)C)nc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000261927520 145243176 /nfs/dbraw/zinc/24/31/76/145243176.db2.gz LBYHFLJKFRVYPS-UHFFFAOYSA-N 2 0 317.481 2.030 10 0 DEAERP C[N@@H+]1CC[C@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261928915 145243231 /nfs/dbraw/zinc/24/32/31/145243231.db2.gz CBGWTMYXLSVOMI-IUODEOHRSA-N 2 0 324.831 2.411 10 0 DEAERP O=C([C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2)N1CCCCC1 ZINC000261993948 145251171 /nfs/dbraw/zinc/25/11/71/145251171.db2.gz SPZSDUVGTXBPAZ-QGZVFWFLSA-N 2 0 319.493 2.101 10 0 DEAERP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258543 /nfs/dbraw/zinc/25/85/43/145258543.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 2 0 322.522 2.205 10 0 DEAERP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262086786 145261005 /nfs/dbraw/zinc/26/10/05/145261005.db2.gz ULOVINYMXBVUDK-QAPCUYQASA-N 2 0 316.449 2.040 10 0 DEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000263107270 145326292 /nfs/dbraw/zinc/32/62/92/145326292.db2.gz ABCZATSQZJLDFR-SWLSCSKDSA-N 2 0 306.406 2.224 10 0 DEAERP Cc1noc(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000089518221 401950708 /nfs/dbraw/zinc/95/07/08/401950708.db2.gz XNZPJRFYWNRQJG-CYBMUJFWSA-N 2 0 318.421 2.212 10 0 DEAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000120145114 401979788 /nfs/dbraw/zinc/97/97/88/401979788.db2.gz MALHFAVLMDYVHA-RDJZCZTQSA-N 2 0 309.498 2.343 10 0 DEAERP CC(C)[NH+]1CCC(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000137427747 401983672 /nfs/dbraw/zinc/98/36/72/401983672.db2.gz PDEPMGBURYKRRB-UHFFFAOYSA-N 2 0 324.513 2.279 10 0 DEAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121139625 402016954 /nfs/dbraw/zinc/01/69/54/402016954.db2.gz VDCPWBBFSAKQQW-HNNXBMFYSA-N 2 0 306.450 2.220 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000176139598 402282937 /nfs/dbraw/zinc/28/29/37/402282937.db2.gz SUZSQFKDQBPURO-MRXNPFEDSA-N 2 0 312.502 2.231 10 0 DEAERP CCC(CC)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCCC1 ZINC000236664813 402372001 /nfs/dbraw/zinc/37/20/01/402372001.db2.gz VZOFSRGFHCDJTE-DLBZAZTESA-N 2 0 321.509 2.393 10 0 DEAERP COc1ccc([C@H](C)C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185864868 402384231 /nfs/dbraw/zinc/38/42/31/402384231.db2.gz MGIDDMVTGPWWKY-SJORKVTESA-N 2 0 319.493 2.414 10 0 DEAERP C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000163573826 402452678 /nfs/dbraw/zinc/45/26/78/402452678.db2.gz AMOIGRSVHAMYAK-YJBOKZPZSA-N 2 0 315.461 2.409 10 0 DEAERP C[N@H+](CCN1CCC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000186890074 402469889 /nfs/dbraw/zinc/46/98/89/402469889.db2.gz JQOHYBCXBVKVLO-UHFFFAOYSA-N 2 0 305.441 2.428 10 0 DEAERP CC1(C)CCC[N@@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000171066920 402554126 /nfs/dbraw/zinc/55/41/26/402554126.db2.gz JEUADUVQQDKIGK-UHFFFAOYSA-N 2 0 321.490 2.267 10 0 DEAERP Cc1ccccc1C(=O)NC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178957575 402559706 /nfs/dbraw/zinc/55/97/06/402559706.db2.gz PDZVAQUFJYUYLS-UHFFFAOYSA-N 2 0 315.461 2.189 10 0 DEAERP C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)CC1CC[NH2+]CC1 ZINC000178980820 402562091 /nfs/dbraw/zinc/56/20/91/402562091.db2.gz PPQNIYNPTUQLPZ-INIZCTEOSA-N 2 0 323.506 2.053 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000171239816 402569641 /nfs/dbraw/zinc/56/96/41/402569641.db2.gz MQEHNKXCPORFMP-INIZCTEOSA-N 2 0 312.502 2.282 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000246505801 402534050 /nfs/dbraw/zinc/53/40/50/402534050.db2.gz WUUHZXXCNAUQHC-ZACQAIPSSA-N 2 0 322.497 2.129 10 0 DEAERP Cc1ncsc1CC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000179251517 402582711 /nfs/dbraw/zinc/58/27/11/402582711.db2.gz NZYXPWXNIFOORR-INIZCTEOSA-N 2 0 322.522 2.096 10 0 DEAERP CC(C)c1noc(CN2CCC(Cc3nccn3C)CC2)n1 ZINC000171599958 402599752 /nfs/dbraw/zinc/59/97/52/402599752.db2.gz SQTIQNUVOOYNBS-UHFFFAOYSA-N 2 0 303.410 2.381 10 0 DEAERP CCCn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000179988021 402604867 /nfs/dbraw/zinc/60/48/67/402604867.db2.gz NQBMBZKEALPFRM-UHFFFAOYSA-N 2 0 320.481 2.370 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C12CCOCC2 ZINC000248911815 402614081 /nfs/dbraw/zinc/61/40/81/402614081.db2.gz CGDHDSJRLWFMGH-DJIMGWMZSA-N 2 0 308.466 2.035 10 0 DEAERP C[C@@H]1CCN(Cc2nnc(C3CCC3)n2C)C[C@@H]1n1ccnc1 ZINC000181509026 402647739 /nfs/dbraw/zinc/64/77/39/402647739.db2.gz IENAPXGAHHQPFV-HIFRSBDPSA-N 2 0 314.437 2.362 10 0 DEAERP COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261805674 402717734 /nfs/dbraw/zinc/71/77/34/402717734.db2.gz HIATWQWKUNETJQ-DLBZAZTESA-N 2 0 308.466 2.430 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000173471275 402698886 /nfs/dbraw/zinc/69/88/86/402698886.db2.gz PPMOHVWKRWYWGU-DLBZAZTESA-N 2 0 307.482 2.192 10 0 DEAERP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182561865 402699413 /nfs/dbraw/zinc/69/94/13/402699413.db2.gz XRSQEIDHUBIUHX-ZOBUZTSGSA-N 2 0 322.497 2.033 10 0 DEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183388602 402762443 /nfs/dbraw/zinc/76/24/43/402762443.db2.gz PZWDFYDEAWJQEM-OAHLLOKOSA-N 2 0 318.465 2.390 10 0 DEAERP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736865 402813659 /nfs/dbraw/zinc/81/36/59/402813659.db2.gz RBYRHHSWSXMQMB-INIZCTEOSA-N 2 0 307.482 2.195 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000175209757 402788146 /nfs/dbraw/zinc/78/81/46/402788146.db2.gz KFXIZUXIOZLDJX-QGZVFWFLSA-N 2 0 320.481 2.320 10 0 DEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333549402 403778402 /nfs/dbraw/zinc/77/84/02/403778402.db2.gz KBUFDSMGEUKCSS-RDJZCZTQSA-N 2 0 322.497 2.225 10 0 DEAERP c1nnn(Cc2ccccc2)c1CNC1CC[NH+](C2CC2)CC1 ZINC000292009034 404626696 /nfs/dbraw/zinc/62/66/96/404626696.db2.gz VQHDJHSMGVPPIQ-UHFFFAOYSA-N 2 0 311.433 2.043 10 0 DEAERP COc1nsc(C[NH2+]CCCC[NH+](C)C)c1Br ZINC000638451495 405477171 /nfs/dbraw/zinc/47/71/71/405477171.db2.gz ODKHGRFLCNLPQQ-UHFFFAOYSA-N 2 0 322.272 2.346 10 0 DEAERP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638079417 406558462 /nfs/dbraw/zinc/55/84/62/406558462.db2.gz DFZLIRBFPMSLQC-FUHWJXTLSA-N 2 0 313.445 2.062 10 0 DEAERP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638079416 406559067 /nfs/dbraw/zinc/55/90/67/406559067.db2.gz DFZLIRBFPMSLQC-AEFFLSMTSA-N 2 0 313.445 2.062 10 0 DEAERP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638307211 406687713 /nfs/dbraw/zinc/68/77/13/406687713.db2.gz HVEGRDCMZWOGJT-JCGIZDLHSA-N 2 0 313.445 2.061 10 0 DEAERP C[C@@H](C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000133885057 196342594 /nfs/dbraw/zinc/34/25/94/196342594.db2.gz JLJBCVMDJVCKOF-QZTJIDSGSA-N 2 0 303.494 2.338 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000303207870 424892594 /nfs/dbraw/zinc/89/25/94/424892594.db2.gz OGFPTCJCLAIICX-WMZOPIPTSA-N 2 0 315.461 2.142 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245951850 279275782 /nfs/dbraw/zinc/27/57/82/279275782.db2.gz ZNZZSZNTLDZSLX-SJORKVTESA-N 2 0 307.482 2.338 10 0 DEAERP [NH3+][C@H]1CCC[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000178829001 279688141 /nfs/dbraw/zinc/68/81/41/279688141.db2.gz BTWGKGNOEKOBRJ-GJZGRUSLSA-N 2 0 307.482 2.417 10 0 DEAERP C[C@@]1(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC[NH2+]C1 ZINC000261901769 289163901 /nfs/dbraw/zinc/16/39/01/289163901.db2.gz WGFZUQNITZPHHK-CRAIPNDOSA-N 2 0 317.481 2.184 10 0 DEAERP CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388498863 333316830 /nfs/dbraw/zinc/31/68/30/333316830.db2.gz NMZZKNZJWHAGJY-IEBWSBKVSA-N 2 0 315.461 2.252 10 0 DEAERP CN(c1cccc(Br)c1C[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000168306408 517941720 /nfs/dbraw/zinc/94/17/20/517941720.db2.gz BXMNHCZSSQFYTA-NSHDSACASA-N 2 0 312.255 2.438 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247249534 535266365 /nfs/dbraw/zinc/26/63/65/535266365.db2.gz NNEVRYHXLLJCHW-WBVHZDCISA-N 2 0 322.497 2.129 10 0 DEAERP CCCNC(=O)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309939276 625285764 /nfs/dbraw/zinc/28/57/64/625285764.db2.gz ZCSOQFYOEFDHDI-FGTMMUONSA-N 2 0 315.461 2.013 10 0 DEAERP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000066243427 625057224 /nfs/dbraw/zinc/05/72/24/625057224.db2.gz YULHAKXZYYLSPS-HNNXBMFYSA-N 2 0 318.465 2.226 10 0 DEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178877400 636471572 /nfs/dbraw/zinc/47/15/72/636471572.db2.gz OAKWUKQOIVPLQE-RHSMWYFYSA-N 2 0 318.465 2.140 10 0 DEAERP COc1c(C)cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000185865773 649651743 /nfs/dbraw/zinc/65/17/43/649651743.db2.gz MFSAJADTUOGTKE-QGZVFWFLSA-N 2 0 319.493 2.428 10 0 DEAERP [NH3+]CCCCCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000188289056 684352119 /nfs/dbraw/zinc/35/21/19/684352119.db2.gz JUVRPRPXQICHEO-QGZVFWFLSA-N 2 0 318.465 2.071 10 0 DEAERP CO[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397501791 790194307 /nfs/dbraw/zinc/19/43/07/790194307.db2.gz ZPFOMGKEZSNMAE-ROUUACIJSA-N 2 0 318.461 2.171 10 0 DEAERP Brc1cnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000714952801 792375039 /nfs/dbraw/zinc/37/50/39/792375039.db2.gz VQCXJDNJDIVAQF-OPRDCNLKSA-N 2 0 316.268 2.383 10 0 DEAERP c1cn(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000073649751 1080184876 /nfs/dbraw/zinc/18/48/76/1080184876.db2.gz DFBQGRFEHBUJCU-UHFFFAOYSA-N 2 0 314.433 2.148 10 0 DEAERP CC(C)C[NH2+]Cc1nc(CN(C)C[C@H]2CCC[N@@H+]2C)cs1 ZINC000092674606 185332855 /nfs/dbraw/zinc/33/28/55/185332855.db2.gz VPPLMBQKRJQLTR-OAHLLOKOSA-N 2 0 310.511 2.415 10 0 DEAERP [NH3+]C1CCN(CC[NH2+]Cc2cc(Br)cs2)CC1 ZINC000092721545 185336226 /nfs/dbraw/zinc/33/62/26/185336226.db2.gz CAWCPTKYQONMOU-UHFFFAOYSA-N 2 0 318.284 2.023 10 0 DEAERP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)nc(N)[nH+]1 ZINC000072152422 191057812 /nfs/dbraw/zinc/05/78/12/191057812.db2.gz SZHQQYBEMAEHLW-QGZVFWFLSA-N 2 0 301.438 2.070 10 0 DEAERP C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[C@@H]1C[N@H+](C)CCN1C ZINC000149583779 186050785 /nfs/dbraw/zinc/05/07/85/186050785.db2.gz MJRSPINNRPJKBO-HUUCEWRRSA-N 2 0 313.848 2.246 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777632 198383321 /nfs/dbraw/zinc/38/33/21/198383321.db2.gz QWFYDNYFEIEEFF-TZMCWYRMSA-N 2 0 324.856 2.336 10 0 DEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000262405892 291038171 /nfs/dbraw/zinc/03/81/71/291038171.db2.gz RQYGIBSHTVORRV-FJIDUMEYSA-N 2 0 321.509 2.488 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000073654027 191336444 /nfs/dbraw/zinc/33/64/44/191336444.db2.gz ODMOEZPHLWDPEH-CVEARBPZSA-N 2 0 312.502 2.090 10 0 DEAERP C[NH+](C)C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000107899571 355729757 /nfs/dbraw/zinc/72/97/57/355729757.db2.gz NLGMQOQQUDSADN-CQSZACIVSA-N 2 0 301.356 2.213 10 0 DEAERP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1cnn(C(C)C)c1)CC2 ZINC000169790005 355984729 /nfs/dbraw/zinc/98/47/29/355984729.db2.gz RVVJSKMKYMYDIH-QGZVFWFLSA-N 2 0 320.481 2.254 10 0 DEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236907965 202064521 /nfs/dbraw/zinc/06/45/21/202064521.db2.gz SRHDBAHXILLWKR-RHSMWYFYSA-N 2 0 303.450 2.272 10 0 DEAERP NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000152717110 283324053 /nfs/dbraw/zinc/32/40/53/283324053.db2.gz QRAGLSXMNSREHY-GDBMZVCRSA-N 2 0 307.482 2.417 10 0 DEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591550 239039726 /nfs/dbraw/zinc/03/97/26/239039726.db2.gz DLKKCEAQOGXGGN-MJGOQNOKSA-N 2 0 319.493 2.065 10 0 DEAERP C[NH+](C)C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000195315421 201379044 /nfs/dbraw/zinc/37/90/44/201379044.db2.gz IUTFRLYLVIGQQY-SFHVURJKSA-N 2 0 315.461 2.280 10 0 DEAERP C[N@@H+]1CCC[C@@H]1CCOc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334490 193360187 /nfs/dbraw/zinc/36/01/87/193360187.db2.gz RZBLJAZMLSDGQP-LLVKDONJSA-N 2 0 303.328 2.422 10 0 DEAERP C[C@H](C[N@H+](C)CCOc1ccc(Br)cc1)C(N)=[NH2+] ZINC000042459869 183272531 /nfs/dbraw/zinc/27/25/31/183272531.db2.gz QMOPFQXUVAPXCW-SNVBAGLBSA-N 2 0 314.227 2.332 10 0 DEAERP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N2CCC(C)CC2)CC1 ZINC000263156780 284771310 /nfs/dbraw/zinc/77/13/10/284771310.db2.gz NFXRNQHHVIBAID-UHFFFAOYSA-N 2 0 310.486 2.132 10 0 DEAERP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000104898370 284786452 /nfs/dbraw/zinc/78/64/52/284786452.db2.gz XZHYGNHESSDRKV-IRXDYDNUSA-N 2 0 303.450 2.232 10 0 DEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)CC[N@@H+]1C ZINC000110711334 194353146 /nfs/dbraw/zinc/35/31/46/194353146.db2.gz YVKPGXJWXBMSKY-MNOVXSKESA-N 2 0 316.243 2.068 10 0 DEAERP CCC[NH2+]Cc1c(N(C)CCC[NH+](C)C)nc2sccn12 ZINC000111140973 194394390 /nfs/dbraw/zinc/39/43/90/194394390.db2.gz BLQQPYMESWCEKF-UHFFFAOYSA-N 2 0 309.483 2.283 10 0 DEAERP CN(CC[NH+](C)C)c1nc(C[C@@H]([NH3+])c2ccccc2)cs1 ZINC000111151294 194396654 /nfs/dbraw/zinc/39/66/54/194396654.db2.gz YDWAWJKJZACJJP-OAHLLOKOSA-N 2 0 304.463 2.383 10 0 DEAERP Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)NCCC[NH+](C)C)c1 ZINC000062066179 184203776 /nfs/dbraw/zinc/20/37/76/184203776.db2.gz CDYNYNSUXMRVCH-KRWDZBQOSA-N 2 0 303.450 2.027 10 0 DEAERP c1ccc(C[C@@H]2CSC(N[C@H]3C[NH+]4CCC3CC4)=[NH+]2)cc1 ZINC000063220250 184279275 /nfs/dbraw/zinc/27/92/75/184279275.db2.gz KCLIKTGYUCMWBH-CVEARBPZSA-N 2 0 301.459 2.384 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156441802 197113470 /nfs/dbraw/zinc/11/34/70/197113470.db2.gz PUFSYWGMSSNHPG-RHSMWYFYSA-N 2 0 301.434 2.057 10 0 DEAERP c1csc(C[N@H+]2C[C@@H]3CCC[C@H](C[NH+]4CCOCC4)[C@@H]3C2)n1 ZINC000263621720 257103977 /nfs/dbraw/zinc/10/39/77/257103977.db2.gz BWLJWQMGAKCHIV-PMPSAXMXSA-N 2 0 321.490 2.323 10 0 DEAERP C(C[NH+]1CCCC1)O[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC1)C2 ZINC000253596840 257105303 /nfs/dbraw/zinc/10/53/03/257105303.db2.gz WJPOZQOSSXQBOD-ZWKOTPCHSA-N 2 0 308.466 2.275 10 0 DEAERP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703253 133246694 /nfs/dbraw/zinc/24/66/94/133246694.db2.gz PSHRBWKSGOPLCS-MJGOQNOKSA-N 2 0 301.478 2.187 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCCCC[NH+](C)C ZINC000113604795 144635575 /nfs/dbraw/zinc/63/55/75/144635575.db2.gz HXDHRMLTGBGBAI-IAGOWNOFSA-N 2 0 324.513 2.377 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000247461952 145137884 /nfs/dbraw/zinc/13/78/84/145137884.db2.gz ULSYNDXYHJTHQT-ZACQAIPSSA-N 2 0 324.513 2.135 10 0 DEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000249105783 145179095 /nfs/dbraw/zinc/17/90/95/145179095.db2.gz QHQVUJSGEBSKFQ-MOPGFXCFSA-N 2 0 323.525 2.030 10 0 DEAERP CCc1ccc([C@H](C)NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798738 145227445 /nfs/dbraw/zinc/22/74/45/145227445.db2.gz NZJMJULIAPWOEP-YOEHRIQHSA-N 2 0 317.477 2.485 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C[NH+]1CCCCC1 ZINC000261834485 145231931 /nfs/dbraw/zinc/23/19/31/145231931.db2.gz BXXDHTGMSRPOFX-VQHPVUNQSA-N 2 0 307.482 2.145 10 0 DEAERP Cc1cc(C(=O)NC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c(C)o1 ZINC000262055321 145257873 /nfs/dbraw/zinc/25/78/73/145257873.db2.gz QPSOTHAEEYSEPC-GOSISDBHSA-N 2 0 319.449 2.090 10 0 DEAERP Cc1ccc([C@@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000262411459 292200480 /nfs/dbraw/zinc/20/04/80/292200480.db2.gz QPEQOUBTODXBCB-MAUKXSAKSA-N 2 0 315.461 2.104 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000128333516 401772341 /nfs/dbraw/zinc/77/23/41/401772341.db2.gz YLIPSFHFKLZDPK-IKGGRYGDSA-N 2 0 324.513 2.233 10 0 DEAERP CC(C)NC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110103 401783759 /nfs/dbraw/zinc/78/37/59/401783759.db2.gz FAOGQNGHGRYRBV-GOSISDBHSA-N 2 0 317.477 2.355 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)[C@H](C)C1 ZINC000119006041 401918376 /nfs/dbraw/zinc/91/83/76/401918376.db2.gz WLGNDVSXGXYKLZ-KFWWJZLASA-N 2 0 305.470 2.036 10 0 DEAERP COCCC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000177983580 402449267 /nfs/dbraw/zinc/44/92/67/402449267.db2.gz URGDTRXNKBUCFN-QGZVFWFLSA-N 2 0 311.514 2.341 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C12CCOCC2 ZINC000186258813 402415444 /nfs/dbraw/zinc/41/54/44/402415444.db2.gz RLKOKSXXTOBOFH-BRWVUGGUSA-N 2 0 310.482 2.282 10 0 DEAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000162694745 402429020 /nfs/dbraw/zinc/42/90/20/402429020.db2.gz JJPOHVINYKWREZ-INIZCTEOSA-N 2 0 313.449 2.393 10 0 DEAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]([NH3+])c2ccccc2)ccc1F ZINC000237048586 402392981 /nfs/dbraw/zinc/39/29/81/402392981.db2.gz SYMLQJPZOIVMSE-QGZVFWFLSA-N 2 0 315.392 2.204 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000245653863 402477368 /nfs/dbraw/zinc/47/73/68/402477368.db2.gz CGLJNARMHAYYAQ-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245672421 402477673 /nfs/dbraw/zinc/47/76/73/402477673.db2.gz FMWRZEGANACEQU-RDJZCZTQSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246280515 402522773 /nfs/dbraw/zinc/52/27/73/402522773.db2.gz NMMQCQSKSJCZDF-RDHHWEPZSA-N 2 0 324.513 2.088 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249747798 402640163 /nfs/dbraw/zinc/64/01/63/402640163.db2.gz ACJTZDDCHAAZGK-HZPDHXFCSA-N 2 0 310.486 2.034 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000249762045 402641262 /nfs/dbraw/zinc/64/12/62/402641262.db2.gz LSVYGVXAGGDCAF-ZACQAIPSSA-N 2 0 324.513 2.138 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262041471 402721573 /nfs/dbraw/zinc/72/15/73/402721573.db2.gz BYHLWYRMMOBOMR-DJIMGWMZSA-N 2 0 301.434 2.162 10 0 DEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000261640124 402714989 /nfs/dbraw/zinc/71/49/89/402714989.db2.gz DUOOHXWMGTZETL-XYPHTWIQSA-N 2 0 309.417 2.180 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000173471486 402698766 /nfs/dbraw/zinc/69/87/66/402698766.db2.gz XYCRNLQACXSKQO-ZWKOTPCHSA-N 2 0 315.461 2.447 10 0 DEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262654478 402729182 /nfs/dbraw/zinc/72/91/82/402729182.db2.gz BXOUAXXRKAUOKW-OLMNPRSZSA-N 2 0 319.493 2.430 10 0 DEAERP CC(C)C1CCC([NH+]2CCN(C(=O)CC[C@H](C)[NH3+])CC2)CC1 ZINC000193321436 402770428 /nfs/dbraw/zinc/77/04/28/402770428.db2.gz OTBHXIZBEZCOAY-GTPINHCMSA-N 2 0 309.498 2.473 10 0 DEAERP c1nc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)co1 ZINC000192341289 402723399 /nfs/dbraw/zinc/72/33/99/402723399.db2.gz IZVJYWSFRKKWFY-UHFFFAOYSA-N 2 0 315.417 2.482 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728573 402827346 /nfs/dbraw/zinc/82/73/46/402827346.db2.gz AOXWVKZEGZIEHL-WBVHZDCISA-N 2 0 313.449 2.429 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728887 402827453 /nfs/dbraw/zinc/82/74/53/402827453.db2.gz ZQOZBGKVZCJNPJ-CJNGLKHVSA-N 2 0 307.413 2.426 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000194150199 402785578 /nfs/dbraw/zinc/78/55/78/402785578.db2.gz MBLUJHDPYHZQKU-KRWDZBQOSA-N 2 0 318.465 2.032 10 0 DEAERP Cn1cc(C[N@H+](C)Cc2ccc(OC3CC[NH2+]CC3)cc2)cn1 ZINC000299783007 403573246 /nfs/dbraw/zinc/57/32/46/403573246.db2.gz YWHNHTDHHATOES-UHFFFAOYSA-N 2 0 314.433 2.183 10 0 DEAERP C[N@@H+]1CCO[C@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@H]21 ZINC000301661245 403660916 /nfs/dbraw/zinc/66/09/16/403660916.db2.gz MSAYLTYGPLSKAJ-CVEARBPZSA-N 2 0 303.793 2.407 10 0 DEAERP O=C(Nc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000333277762 403714099 /nfs/dbraw/zinc/71/40/99/403714099.db2.gz LTTLMJNTOCKNMV-JKSUJKDBSA-N 2 0 302.422 2.025 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000369879607 404260861 /nfs/dbraw/zinc/26/08/61/404260861.db2.gz BOMZDVZBMJAJQS-IRXDYDNUSA-N 2 0 322.497 2.034 10 0 DEAERP C(CC[NH+]1CCOCC2(CC2)C1)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000360099634 404818032 /nfs/dbraw/zinc/81/80/32/404818032.db2.gz UKEZDHVODMBIFX-UHFFFAOYSA-N 2 0 322.493 2.382 10 0 DEAERP C[C@H](CCNC(=O)C[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000379680531 405029064 /nfs/dbraw/zinc/02/90/64/405029064.db2.gz MRSCDZNCJAUBPC-SJLPKXTDSA-N 2 0 317.477 2.403 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396358779 405056293 /nfs/dbraw/zinc/05/62/93/405056293.db2.gz IDOATYQVOPAMJR-RDJZCZTQSA-N 2 0 303.450 2.093 10 0 DEAERP C[C@@H]1CC(O)C[C@@H](C)[NH+]1C/C=C\C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000429282909 405426996 /nfs/dbraw/zinc/42/69/96/405426996.db2.gz DVVAKBYCUZLMPB-NZVJXCQRSA-N 2 0 310.482 2.010 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771362 406275422 /nfs/dbraw/zinc/27/54/22/406275422.db2.gz SBHOOJAXOVEXHX-AYBZRNKSSA-N 2 0 315.461 2.013 10 0 DEAERP c1nc(C2CC2)ncc1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000537094756 406281707 /nfs/dbraw/zinc/28/17/07/406281707.db2.gz VJHGIZGBGDCYLH-UHFFFAOYSA-N 2 0 300.450 2.361 10 0 DEAERP CC1(C)CN(C(=O)CCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638101239 406570551 /nfs/dbraw/zinc/57/05/51/406570551.db2.gz OWGPZYMPFYQPEE-UHFFFAOYSA-N 2 0 315.461 2.109 10 0 DEAERP CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638100758 406570768 /nfs/dbraw/zinc/57/07/68/406570768.db2.gz NONBZMSWRHRCTM-KRWDZBQOSA-N 2 0 313.445 2.157 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000129027842 196012919 /nfs/dbraw/zinc/01/29/19/196012919.db2.gz FXNMBCUQKBWVBQ-HOTGVXAUSA-N 2 0 312.502 2.136 10 0 DEAERP COC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CCOCC1 ZINC000188018321 225006905 /nfs/dbraw/zinc/00/69/05/225006905.db2.gz MYNBMVGYJAWDNG-GOSISDBHSA-N 2 0 324.440 2.419 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000194335911 424875254 /nfs/dbraw/zinc/87/52/54/424875254.db2.gz WZGHCRLIUXECHW-MRXNPFEDSA-N 2 0 304.438 2.354 10 0 DEAERP C[C@H](CNC(=O)C1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000390778659 424917705 /nfs/dbraw/zinc/91/77/05/424917705.db2.gz PGJSPOGGDJQLAK-ODIFPOPNSA-N 2 0 303.450 2.141 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]CC1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000333597125 268960100 /nfs/dbraw/zinc/96/01/00/268960100.db2.gz PDYHPIJGABWFMV-GFCCVEGCSA-N 2 0 322.478 2.328 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000397587710 269106556 /nfs/dbraw/zinc/10/65/56/269106556.db2.gz KFOZQSKZUWZOEY-JFIYKMOQSA-N 2 0 318.461 2.169 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000397940663 269107392 /nfs/dbraw/zinc/10/73/92/269107392.db2.gz ZOGSTZICUPKEQX-RTBURBONSA-N 2 0 319.493 2.385 10 0 DEAERP CCC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)[NH+](C)C ZINC000161802888 276038530 /nfs/dbraw/zinc/03/85/30/276038530.db2.gz SEGLHAHQSXSERL-IAGOWNOFSA-N 2 0 305.466 2.444 10 0 DEAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262502530 278220305 /nfs/dbraw/zinc/22/03/05/278220305.db2.gz MDDRHNWWIQGGFR-MRXNPFEDSA-N 2 0 307.482 2.242 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262318623 278869530 /nfs/dbraw/zinc/86/95/30/278869530.db2.gz DWSYZAHBNXNIHG-MAUKXSAKSA-N 2 0 307.482 2.003 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000245475263 279298060 /nfs/dbraw/zinc/29/80/60/279298060.db2.gz RTBYDEDWFBIQTL-IXDOHACOSA-N 2 0 324.513 2.233 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245462679 279326283 /nfs/dbraw/zinc/32/62/83/279326283.db2.gz GRCHONBKMLJNFW-CVEARBPZSA-N 2 0 312.502 2.088 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C[NH+]1CCCCC1 ZINC000237447076 289678476 /nfs/dbraw/zinc/67/84/76/289678476.db2.gz BXXDHTGMSRPOFX-QZWWFDLISA-N 2 0 307.482 2.145 10 0 DEAERP C[C@@]1(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261752938 297892730 /nfs/dbraw/zinc/89/27/30/297892730.db2.gz KDFGJGYWUQEHEL-SJLPKXTDSA-N 2 0 319.493 2.101 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000111847457 519842553 /nfs/dbraw/zinc/84/25/53/519842553.db2.gz GAMXSGDPFQQLFQ-QGZVFWFLSA-N 2 0 324.513 2.282 10 0 DEAERP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360154602 535049962 /nfs/dbraw/zinc/04/99/62/535049962.db2.gz TXLREYPBNJGOKG-WMZOPIPTSA-N 2 0 317.477 2.403 10 0 DEAERP CC1(C)CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[C@H]1[NH3+] ZINC000261949314 535349524 /nfs/dbraw/zinc/34/95/24/535349524.db2.gz JZTLWDXTFFDCTP-QGZVFWFLSA-N 2 0 315.461 2.482 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454640497 535447931 /nfs/dbraw/zinc/44/79/31/535447931.db2.gz DFMUIQQAFWMLOX-UHFFFAOYSA-N 2 0 324.513 2.282 10 0 DEAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262655715 535583427 /nfs/dbraw/zinc/58/34/27/535583427.db2.gz CRYGWSJGFUQQPE-YVSFHVDLSA-N 2 0 307.482 2.097 10 0 DEAERP CCN(C(=O)C[C@H](C)[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261783621 535668978 /nfs/dbraw/zinc/66/89/78/535668978.db2.gz BOEMMJLWFXWMBU-UXLLHSPISA-N 2 0 303.450 2.408 10 0 DEAERP C[N@H+](CCC(=O)Nc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261946285 536306846 /nfs/dbraw/zinc/30/68/46/536306846.db2.gz MGTMHZUQRAAOST-XYPWUTKMSA-N 2 0 305.397 2.369 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000380924999 685398661 /nfs/dbraw/zinc/39/86/61/685398661.db2.gz BRDXILJRZSSCRR-OALUTQOASA-N 3 0 319.493 2.242 10 0 DEAERP COC(OC)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381757102 685402053 /nfs/dbraw/zinc/40/20/53/685402053.db2.gz GTONBNPIIOTJRC-ZOBUZTSGSA-N 2 0 306.450 2.494 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000711344642 1087069607 /nfs/dbraw/zinc/06/96/07/1087069607.db2.gz JLASIKYYWMVSDW-OIISXLGYSA-N 2 0 315.461 2.011 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000711436430 1087102813 /nfs/dbraw/zinc/10/28/13/1087102813.db2.gz BJOCCAZEVAMBHH-TUVASFSCSA-N 2 0 311.470 2.362 10 0 DEAERP [NH3+]Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088417764 185249206 /nfs/dbraw/zinc/24/92/06/185249206.db2.gz PIYDQUASZNARBM-KBPBESRZSA-N 2 0 302.340 2.453 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(Br)cc1 ZINC000311046242 536850593 /nfs/dbraw/zinc/85/05/93/536850593.db2.gz WCALEBPLPLBRLA-AWEZNQCLSA-N 2 0 315.255 2.335 10 0 DEAERP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000192950943 539710597 /nfs/dbraw/zinc/71/05/97/539710597.db2.gz RGHGYTBQHSRBPK-AWEZNQCLSA-N 2 0 324.440 2.359 10 0 DEAERP C[C@@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)Cc1ccccc1 ZINC000182076548 199382786 /nfs/dbraw/zinc/38/27/86/199382786.db2.gz AIICVJWVZZCDNF-QGZVFWFLSA-N 2 0 303.494 2.481 10 0 DEAERP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447550 283157215 /nfs/dbraw/zinc/15/72/15/283157215.db2.gz NXCVKRBBAVDROC-GOEBONIOSA-N 2 0 323.481 2.483 10 0 DEAERP C[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000379658857 356668423 /nfs/dbraw/zinc/66/84/23/356668423.db2.gz XSGYGXKOGRKCRT-IEBWSBKVSA-N 2 0 315.461 2.299 10 0 DEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)CCC[NH3+] ZINC000237513727 202266688 /nfs/dbraw/zinc/26/66/88/202266688.db2.gz HSMBUCJUJCRZOO-HZPDHXFCSA-N 2 0 317.477 2.340 10 0 DEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Br ZINC000091313774 193039168 /nfs/dbraw/zinc/03/91/68/193039168.db2.gz YBACOHWWXUBWMU-CYBMUJFWSA-N 2 0 313.239 2.259 10 0 DEAERP Cc1cc([C@H](C[NH3+])N2CC[NH+](C)CC2)ccc1Br ZINC000091470367 193060213 /nfs/dbraw/zinc/06/02/13/193060213.db2.gz DHXFILPMWRLAHA-AWEZNQCLSA-N 2 0 312.255 2.005 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)c(Br)c1 ZINC000629653661 367287589 /nfs/dbraw/zinc/28/75/89/367287589.db2.gz LWZGPHDFHSCLDP-UHFFFAOYSA-N 2 0 315.255 2.425 10 0 DEAERP COc1c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)nn1C ZINC000093688595 193290185 /nfs/dbraw/zinc/29/01/85/193290185.db2.gz ZTXNKLRPFKMRPB-UHFFFAOYSA-N 2 0 308.470 2.291 10 0 DEAERP COc1cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000153582604 291573266 /nfs/dbraw/zinc/57/32/66/291573266.db2.gz DTBJTAFTUPLJAV-GJZGRUSLSA-N 2 0 323.456 2.368 10 0 DEAERP CN([C@@H](C[NH3+])c1ccc(Br)o1)C1CC[NH+](C)CC1 ZINC000022168282 182312144 /nfs/dbraw/zinc/31/21/44/182312144.db2.gz BQVFWCOJAMWPDD-NSHDSACASA-N 2 0 316.243 2.068 10 0 DEAERP C[NH+](C)CCC[NH2+]CCOc1ccc(Br)cc1 ZINC000042222119 183243439 /nfs/dbraw/zinc/24/34/39/183243439.db2.gz WJYPLOODXGCKFP-UHFFFAOYSA-N 2 0 301.228 2.369 10 0 DEAERP C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042951819 183320999 /nfs/dbraw/zinc/32/09/99/183320999.db2.gz OKEHUKYXJSQSLG-FZMZJTMJSA-N 2 0 312.255 2.085 10 0 DEAERP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000043019832 183328714 /nfs/dbraw/zinc/32/87/14/183328714.db2.gz RUDLLMYILNSNLF-BXUZGUMPSA-N 2 0 312.255 2.085 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(F)c2F)CC1 ZINC000105862430 194150368 /nfs/dbraw/zinc/15/03/68/194150368.db2.gz ZCBVAAOAJKKSNA-CYBMUJFWSA-N 2 0 312.404 2.489 10 0 DEAERP CC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106386577 194205316 /nfs/dbraw/zinc/20/53/16/194205316.db2.gz BGWHMOJPYJAPDJ-OALUTQOASA-N 2 0 320.477 2.135 10 0 DEAERP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262405893 296312927 /nfs/dbraw/zinc/31/29/27/296312927.db2.gz RQYGIBSHTVORRV-MHORFTMASA-N 2 0 321.509 2.488 10 0 DEAERP CC(C)C[C@H](C)OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071526 184204195 /nfs/dbraw/zinc/20/41/95/184204195.db2.gz XISCAGMBMMCTHF-IXDOHACOSA-N 2 0 300.487 2.120 10 0 DEAERP C[NH2+]Cc1ccc(Br)cc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062967125 184262903 /nfs/dbraw/zinc/26/29/03/184262903.db2.gz ICPRRDKFKROPRE-CYBMUJFWSA-N 2 0 312.255 2.309 10 0 DEAERP c1cc(CC[NH2+]CCN2CC[C@H]([NH+]3CCCCC3)C2)cs1 ZINC000062974701 184263391 /nfs/dbraw/zinc/26/33/91/184263391.db2.gz PGUUVCBYRPDNSH-KRWDZBQOSA-N 2 0 307.507 2.440 10 0 DEAERP CC(C)C[NH2+]C[C@@]1(C[N@@H+]2CCSC(C)(C)C2)CCOC1 ZINC000159132178 197330555 /nfs/dbraw/zinc/33/05/55/197330555.db2.gz KCDQHDWYRREMJG-MRXNPFEDSA-N 2 0 300.512 2.466 10 0 DEAERP C[NH2+][C@H](c1c(Br)cnn1CC[NH+](C)C)C(C)C ZINC000158690700 197295263 /nfs/dbraw/zinc/29/52/63/197295263.db2.gz NLERBCINYZCTQU-NSHDSACASA-N 2 0 303.248 2.124 10 0 DEAERP C[N@@H+]1CC[C@@H](n2c(N)[nH+]c3cc(F)c(Br)cc32)C1 ZINC000158385768 197267410 /nfs/dbraw/zinc/26/74/10/197267410.db2.gz ORXYSKVZJVWMKX-SSDOTTSWSA-N 2 0 313.174 2.397 10 0 DEAERP C[C@H](Cn1c(N)[nH+]c2cc(F)c(Br)cc21)[NH+](C)C ZINC000158411387 197270306 /nfs/dbraw/zinc/27/03/06/197270306.db2.gz BMWOCSSNXHIBGS-SSDOTTSWSA-N 2 0 315.190 2.470 10 0 DEAERP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000158036379 197237988 /nfs/dbraw/zinc/23/79/88/197237988.db2.gz OXXMIINQRIGXRM-QWHCGFSZSA-N 2 0 304.463 2.371 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCCC[NH+](CC)CC)CC1 ZINC000157648908 197204248 /nfs/dbraw/zinc/20/42/48/197204248.db2.gz JCSQYQTWOYWWDY-UHFFFAOYSA-N 2 0 312.502 2.140 10 0 DEAERP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(C(N)=S)c(C)[nH+]1 ZINC000156665682 197132535 /nfs/dbraw/zinc/13/25/35/197132535.db2.gz YLHYTMNKAMSCGG-ZDUSSCGKSA-N 2 0 306.479 2.475 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000234729801 285219991 /nfs/dbraw/zinc/21/99/91/285219991.db2.gz SZBDSETZQPSIMC-CYBMUJFWSA-N 2 0 301.228 2.293 10 0 DEAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CCC1CC[NH2+]CC1 ZINC000263258811 132579533 /nfs/dbraw/zinc/57/95/33/132579533.db2.gz QSBJDLKFKLSVHR-UHFFFAOYSA-N 2 0 301.434 2.204 10 0 DEAERP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000357407877 133076082 /nfs/dbraw/zinc/07/60/82/133076082.db2.gz FPKYMJNUWMDRDL-MAUKXSAKSA-N 2 0 315.461 2.495 10 0 DEAERP CC(C)(C)n1cc(C[NH2+]C2CCN(c3ccccn3)CC2)nn1 ZINC000189943408 145036704 /nfs/dbraw/zinc/03/67/04/145036704.db2.gz OVXMLVHBFILALJ-UHFFFAOYSA-N 2 0 314.437 2.187 10 0 DEAERP COc1cc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC000193041836 145081780 /nfs/dbraw/zinc/08/17/80/145081780.db2.gz VSBXOSVCUSZEAI-VHRNVKJDSA-N 2 0 319.449 2.331 10 0 DEAERP C[C@@H]1C[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000248997009 145175121 /nfs/dbraw/zinc/17/51/21/145175121.db2.gz PFMNHYJJMXRGQQ-NUIAMIPMSA-N 3 0 309.498 2.091 10 0 DEAERP C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261560406 145208138 /nfs/dbraw/zinc/20/81/38/145208138.db2.gz ZWTVZXGDPXHJSV-XOYOTBSWSA-N 2 0 315.461 2.141 10 0 DEAERP CN(C(=O)CC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261558161 145208150 /nfs/dbraw/zinc/20/81/50/145208150.db2.gz XXYPNSHWEMAJJE-SFHVURJKSA-N 2 0 315.461 2.109 10 0 DEAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000261784427 145225626 /nfs/dbraw/zinc/22/56/26/145225626.db2.gz SWMRGQVAHZDDFG-SFHVURJKSA-N 2 0 311.429 2.107 10 0 DEAERP C[C@H](CC(=O)N(CC[NH3+])CCc1ccccc1)C1CC[NH2+]CC1 ZINC000261779624 145226073 /nfs/dbraw/zinc/22/60/73/145226073.db2.gz SJHZCXKQNCBBGO-MRXNPFEDSA-N 2 0 317.477 2.042 10 0 DEAERP Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CC(C)(C)[NH3+] ZINC000261882156 145236860 /nfs/dbraw/zinc/23/68/60/145236860.db2.gz WNXKJOIUPWRZNS-STQMWFEESA-N 2 0 314.474 2.033 10 0 DEAERP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000261963182 145247847 /nfs/dbraw/zinc/24/78/47/145247847.db2.gz XZPKJJAYAPAOKC-SFHVURJKSA-N 2 0 315.461 2.329 10 0 DEAERP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)C2)cc1 ZINC000262013185 145252946 /nfs/dbraw/zinc/25/29/46/145252946.db2.gz VSWIUBGRCJMOJT-KANFNMMFSA-N 2 0 315.461 2.012 10 0 DEAERP C[C@@]1(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC[NH2+]C1 ZINC000262025214 145254519 /nfs/dbraw/zinc/25/45/19/145254519.db2.gz NLPFJELMTNZBAD-GOSISDBHSA-N 2 0 316.449 2.272 10 0 DEAERP C[C@@H]1CCC[C@](CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000262036107 145255471 /nfs/dbraw/zinc/25/54/71/145255471.db2.gz XZIYLHPUWQFALW-LFDJNIOPSA-N 2 0 323.525 2.244 10 0 DEAERP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262093899 145260581 /nfs/dbraw/zinc/26/05/81/145260581.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 2 0 302.466 2.006 10 0 DEAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000262311836 145275581 /nfs/dbraw/zinc/27/55/81/145275581.db2.gz BPCJYETYFLXHBY-RDJZCZTQSA-N 2 0 307.482 2.099 10 0 DEAERP CC(C)c1ccc(NC(=O)CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262529265 145290529 /nfs/dbraw/zinc/29/05/29/145290529.db2.gz PGHNTIKHGRBICI-SFHVURJKSA-N 2 0 301.434 2.434 10 0 DEAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000262561957 145293406 /nfs/dbraw/zinc/29/34/06/145293406.db2.gz VQMGVXCHSMOKAS-JKSUJKDBSA-N 2 0 303.450 2.184 10 0 DEAERP C[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000127233129 401725463 /nfs/dbraw/zinc/72/54/63/401725463.db2.gz CVLGDDRNJCOWBO-SJLPKXTDSA-N 2 0 321.509 2.347 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085362892 401914392 /nfs/dbraw/zinc/91/43/92/401914392.db2.gz ATRZJDNPSJNUJR-GJZGRUSLSA-N 2 0 314.518 2.238 10 0 DEAERP C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972871 401991465 /nfs/dbraw/zinc/99/14/65/401991465.db2.gz XETPKEGWUQWONJ-INIZCTEOSA-N 2 0 307.482 2.195 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119382722 401946567 /nfs/dbraw/zinc/94/65/67/401946567.db2.gz ZXZFFFJSMFTSGZ-FHERZECASA-N 2 0 312.502 2.136 10 0 DEAERP COCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121102358 402015155 /nfs/dbraw/zinc/01/51/55/402015155.db2.gz WWGSGBHPYVJRFZ-MRXNPFEDSA-N 2 0 320.477 2.358 10 0 DEAERP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1 ZINC000153097772 402126319 /nfs/dbraw/zinc/12/63/19/402126319.db2.gz AEBZWLKBNQMDJV-CABCVRRESA-N 2 0 319.449 2.264 10 0 DEAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000124692310 402192003 /nfs/dbraw/zinc/19/20/03/402192003.db2.gz ZVAULHLEXDMBOK-INIZCTEOSA-N 2 0 319.497 2.021 10 0 DEAERP COc1ccc2oc(CNC[C@H](O)C[NH+]3CCCCC3)cc2c1 ZINC000124209778 402168849 /nfs/dbraw/zinc/16/88/49/402168849.db2.gz QBQZEBGNGRBMHO-HNNXBMFYSA-N 2 0 318.417 2.378 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107845038 402242111 /nfs/dbraw/zinc/24/21/11/402242111.db2.gz IRVXNKGVUTUXIO-IRXDYDNUSA-N 2 0 324.513 2.377 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000234793436 402360975 /nfs/dbraw/zinc/36/09/75/402360975.db2.gz HERXKMBPOYMNJB-LBPRGKRZSA-N 2 0 319.218 2.432 10 0 DEAERP CCC(CC)(C[NH3+])C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000236682827 402373932 /nfs/dbraw/zinc/37/39/32/402373932.db2.gz BOQGPCHUNALIRY-UHFFFAOYSA-N 2 0 309.429 2.269 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000245482417 402464908 /nfs/dbraw/zinc/46/49/08/402464908.db2.gz ZHGWEIBGFARXDE-DLBZAZTESA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000187404600 402499092 /nfs/dbraw/zinc/49/90/92/402499092.db2.gz GOKALONPOXLUKB-MSOLQXFVSA-N 2 0 303.494 2.481 10 0 DEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](CCC[NH+]3CCCC3)CC2)C1 ZINC000170793967 402526296 /nfs/dbraw/zinc/52/62/96/402526296.db2.gz GJQPBTYHMCUXHR-KRWDZBQOSA-N 2 0 321.509 2.443 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000246570967 402536951 /nfs/dbraw/zinc/53/69/51/402536951.db2.gz YPDIDGVNCJBWIJ-VQHPVUNQSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560026 402595595 /nfs/dbraw/zinc/59/55/95/402595595.db2.gz JFKNBGKIDGOUHU-ZMSDIMECSA-N 2 0 312.498 2.405 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000249095625 402620625 /nfs/dbraw/zinc/62/06/25/402620625.db2.gz VKXFRMKGBBNPEH-MSOLQXFVSA-N 2 0 309.498 2.046 10 0 DEAERP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3[C@@H]3COCCN3)CC2)C1 ZINC000261841632 402717977 /nfs/dbraw/zinc/71/79/77/402717977.db2.gz ALSGZBGVWISSNO-FHWLQOOXSA-N 2 0 321.509 2.140 10 0 DEAERP Cc1nc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000172792024 402675875 /nfs/dbraw/zinc/67/58/75/402675875.db2.gz KRAGRJQDOZAALR-GFCCVEGCSA-N 2 0 311.495 2.285 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000246169689 304388602 /nfs/dbraw/zinc/38/86/02/304388602.db2.gz BCUVHKXHTQOJGK-XSLAGTTESA-N 2 0 319.493 2.384 10 0 DEAERP Cn1cncc1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000297822583 404634643 /nfs/dbraw/zinc/63/46/43/404634643.db2.gz YZUNFTARUQIDMU-UHFFFAOYSA-N 2 0 304.369 2.040 10 0 DEAERP C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400452320 405063505 /nfs/dbraw/zinc/06/35/05/405063505.db2.gz RLDZUHXAJAAYJM-YTQUADARSA-N 2 0 301.478 2.486 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000580151336 405593646 /nfs/dbraw/zinc/59/36/46/405593646.db2.gz RBJJWQFKRWRYQT-QGZVFWFLSA-N 2 0 324.513 2.377 10 0 DEAERP C[C@@H]([NH3+])CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851386 405713429 /nfs/dbraw/zinc/71/34/29/405713429.db2.gz JLNGLXKSNNERJZ-WBVHZDCISA-N 2 0 303.450 2.285 10 0 DEAERP C[NH2+]CCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850418 405713495 /nfs/dbraw/zinc/71/34/95/405713495.db2.gz GCBNOGFUBYBVFT-KRWDZBQOSA-N 2 0 303.450 2.157 10 0 DEAERP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000638081432 406559994 /nfs/dbraw/zinc/55/99/94/406559994.db2.gz YUNHSAUXRIBHSY-WBVHZDCISA-N 2 0 303.450 2.155 10 0 DEAERP C[C@H]1C[C@H](NC(=O)CCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638103175 406571883 /nfs/dbraw/zinc/57/18/83/406571883.db2.gz LJHKHMCZCPTNHI-MAUKXSAKSA-N 2 0 315.461 2.155 10 0 DEAERP C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000643489437 407006663 /nfs/dbraw/zinc/00/66/63/407006663.db2.gz JIXRTRBCHYJMCS-NWDGAFQWSA-N 2 0 315.259 2.013 10 0 DEAERP CCC[C@@](C)(C[NH2+]C(C)C)C[NH+]1CCC(OCCO)CC1 ZINC000129429357 196047568 /nfs/dbraw/zinc/04/75/68/196047568.db2.gz VFVJZECKPCLPKF-KRWDZBQOSA-N 2 0 300.487 2.264 10 0 DEAERP Cc1nc([C@H](C)[N@@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c(C)s1 ZINC000130626175 196096910 /nfs/dbraw/zinc/09/69/10/196096910.db2.gz RHIOIVKZZPXYQH-NHYWBVRUSA-N 2 0 308.495 2.318 10 0 DEAERP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000195127638 424880608 /nfs/dbraw/zinc/88/06/08/424880608.db2.gz NRJCZQXYRKQZQP-IRXDYDNUSA-N 2 0 324.513 2.136 10 0 DEAERP C[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000382769462 424910691 /nfs/dbraw/zinc/91/06/91/424910691.db2.gz ZQBKDVDNDUBQQC-QFBILLFUSA-N 2 0 315.461 2.252 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972220 424916701 /nfs/dbraw/zinc/91/67/01/424916701.db2.gz CNKJLCPFIUTHKY-KUQKPQIMSA-N 2 0 315.461 2.141 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333489057 268956101 /nfs/dbraw/zinc/95/61/01/268956101.db2.gz CFOLLGBZZUWSEU-RHSMWYFYSA-N 2 0 322.497 2.081 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000247962108 276362352 /nfs/dbraw/zinc/36/23/52/276362352.db2.gz CYDGGGTXMQTSBC-RCCFBDPRSA-N 2 0 315.461 2.422 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247962105 276362451 /nfs/dbraw/zinc/36/24/51/276362451.db2.gz CYDGGGTXMQTSBC-KURKYZTESA-N 2 0 315.461 2.422 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000423028014 534502817 /nfs/dbraw/zinc/50/28/17/534502817.db2.gz FKYAPGKJYAZICH-UWWQBHOKSA-N 2 0 302.418 2.259 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246272254 525380972 /nfs/dbraw/zinc/38/09/72/525380972.db2.gz LVRIWKWSYMZJSY-XUWVNRHRSA-N 2 0 309.498 2.377 10 0 DEAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237856733 527404036 /nfs/dbraw/zinc/40/40/36/527404036.db2.gz DKLPEEQJKCOJKV-ROUUACIJSA-N 2 0 315.461 2.416 10 0 DEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000361877454 535362817 /nfs/dbraw/zinc/36/28/17/535362817.db2.gz NQLWTLBBHBCACH-KRWDZBQOSA-N 2 0 307.482 2.338 10 0 DEAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248184717 535996139 /nfs/dbraw/zinc/99/61/39/535996139.db2.gz XBRCQGINUHPSIV-QZTJIDSGSA-N 2 0 315.461 2.305 10 0 DEAERP COC(OC)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381757100 685401770 /nfs/dbraw/zinc/40/17/70/685401770.db2.gz GTONBNPIIOTJRC-VYDXJSESSA-N 2 0 306.450 2.494 10 0 DEAERP OCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716635416 792982000 /nfs/dbraw/zinc/98/20/00/792982000.db2.gz FSNDGVKGFRZDLT-BZSNNMDCSA-N 2 0 300.446 2.402 10 0 DEAERP C[NH+](C)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405273700 802048085 /nfs/dbraw/zinc/04/80/85/802048085.db2.gz TWCHOQZRZCHQAS-KGLIPLIRSA-N 2 0 311.470 2.364 10 0 DEAERP CO[C@H](C)[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717983297 1081854559 /nfs/dbraw/zinc/85/45/59/1081854559.db2.gz HZBDMEYBSFEPER-DLBZAZTESA-N 2 0 320.477 2.417 10 0 DEAERP CC[C@@H](COC)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717985601 1081855745 /nfs/dbraw/zinc/85/57/45/1081855745.db2.gz PYHMECIJPUTFDV-SFHVURJKSA-N 2 0 320.477 2.418 10 0 DEAERP C[C@]12CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000720829953 1086187047 /nfs/dbraw/zinc/18/70/47/1086187047.db2.gz HPHASAKSHSHWOX-RYRKJORJSA-N 2 0 323.431 2.423 10 0 DEAERP C[C@]12CN(C[C@@H]3CCC[NH2+]C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702087336 1086406610 /nfs/dbraw/zinc/40/66/10/1086406610.db2.gz ZYTGHXZYNIMSBY-AQNXPRMDSA-N 2 0 313.489 2.440 10 0 DEAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000194674393 282146287 /nfs/dbraw/zinc/14/62/87/282146287.db2.gz NVEMBVNYHFVDTR-UHFFFAOYSA-N 2 0 301.434 2.059 10 0 DEAERP C[NH+](C)CCN[C@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000087912145 185237212 /nfs/dbraw/zinc/23/72/12/185237212.db2.gz DRCVVYXKEWCGJA-GFCCVEGCSA-N 2 0 307.385 2.450 10 0 DEAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000087912729 185237375 /nfs/dbraw/zinc/23/73/75/185237375.db2.gz QIDIYJMTPMFASI-AWEZNQCLSA-N 2 0 301.381 2.219 10 0 DEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000184580726 282255093 /nfs/dbraw/zinc/25/50/93/282255093.db2.gz GERXJYDOUAHZCZ-INIZCTEOSA-N 2 0 303.450 2.280 10 0 DEAERP CC(C)CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080506114 192163899 /nfs/dbraw/zinc/16/38/99/192163899.db2.gz OWQMQISXTWBVSB-ALOPSCKCSA-N 2 0 324.513 2.231 10 0 DEAERP CC[NH+](CC)CCCN1Cc2c(cc(OC)cc2F)[C@H]1C[NH3+] ZINC000071683460 191007559 /nfs/dbraw/zinc/00/75/59/191007559.db2.gz FAMLGGYRHZUKOQ-QGZVFWFLSA-N 2 0 309.429 2.382 10 0 DEAERP C[NH+](C)Cc1ccc2c(c1)[C@@H](C[NH3+])N(CCc1nccs1)C2 ZINC000071683843 191007570 /nfs/dbraw/zinc/00/75/70/191007570.db2.gz KNKQGGKCEDKNFC-MRXNPFEDSA-N 2 0 316.474 2.263 10 0 DEAERP [NH3+]CC1(C[NH2+]Cc2sccc2Br)CCOCC1 ZINC000138236594 186014899 /nfs/dbraw/zinc/01/48/99/186014899.db2.gz VORADJABBRAPHG-UHFFFAOYSA-N 2 0 319.268 2.356 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1C1(F)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000163999807 186145301 /nfs/dbraw/zinc/14/53/01/186145301.db2.gz FJZOBMQQTROMMH-BVUQATHDSA-N 2 0 300.809 2.177 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1C(=O)CC[NH2+]C(C)(C)C ZINC000164146023 186150349 /nfs/dbraw/zinc/15/03/49/186150349.db2.gz PDDDABZPACPSLY-UHFFFAOYSA-N 2 0 300.834 2.059 10 0 DEAERP Cn1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000273045043 539801506 /nfs/dbraw/zinc/80/15/06/539801506.db2.gz JGSDACYNEDOADO-YTQUADARSA-N 2 0 310.445 2.420 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)OC(C)C)C2)n1 ZINC000173779645 198250915 /nfs/dbraw/zinc/25/09/15/198250915.db2.gz RLGZJVUWLNMISK-HNNXBMFYSA-N 2 0 305.422 2.466 10 0 DEAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC2=[NH+]CCCN2)C1 ZINC000066243175 354705347 /nfs/dbraw/zinc/70/53/47/354705347.db2.gz UHSCBGWAWXQSIK-HNNXBMFYSA-N 2 0 300.450 2.357 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000073652879 191336282 /nfs/dbraw/zinc/33/62/82/191336282.db2.gz JFHWTKHAWDEQFF-OAHLLOKOSA-N 2 0 312.502 2.138 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382730907 540123435 /nfs/dbraw/zinc/12/34/35/540123435.db2.gz BANYIKHONHKCKN-SJLPKXTDSA-N 2 0 317.477 2.483 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000262243441 356341180 /nfs/dbraw/zinc/34/11/80/356341180.db2.gz BVWGNWVQBXTVKM-VNQPRFMTSA-N 2 0 307.413 2.062 10 0 DEAERP C[C@H]([NH3+])CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000193311887 201027353 /nfs/dbraw/zinc/02/73/53/201027353.db2.gz DUJXDXNASYFUDA-GJZGRUSLSA-N 2 0 303.450 2.456 10 0 DEAERP C[N@@H+]1CCN(CC[C@@H]2CSCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000091291956 193033453 /nfs/dbraw/zinc/03/34/53/193033453.db2.gz UHRDYQIHIQEJPE-SJORKVTESA-N 2 0 305.491 2.070 10 0 DEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000091313772 193038505 /nfs/dbraw/zinc/03/85/05/193038505.db2.gz PTILRAKHZCMFIW-AWEZNQCLSA-N 2 0 313.239 2.259 10 0 DEAERP C[NH+](C)[C@H]1CCCN(c2cc(Br)ccc2C[NH3+])C1 ZINC000091393765 193050567 /nfs/dbraw/zinc/05/05/67/193050567.db2.gz AQJQTDIPXVLBBL-ZDUSSCGKSA-N 2 0 312.255 2.438 10 0 DEAERP C[C@]1(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033356 291380852 /nfs/dbraw/zinc/38/08/52/291380852.db2.gz OGGWFLLRUZPKRC-QAPCUYQASA-N 2 0 302.466 2.398 10 0 DEAERP c1cc(OCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc2c1OCO2 ZINC000631886506 368441443 /nfs/dbraw/zinc/44/14/43/368441443.db2.gz IGUBFAAKIQMPJT-GDBMZVCRSA-N 2 0 318.417 2.258 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](CC)CCOCC ZINC000093597920 193272457 /nfs/dbraw/zinc/27/24/57/193272457.db2.gz KKMINXWJJBEIHO-IRXDYDNUSA-N 2 0 300.487 2.266 10 0 DEAERP COCC[N@H+](CC(C)C)[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093782964 193307197 /nfs/dbraw/zinc/30/71/97/193307197.db2.gz ZGTKSLRPDRUWEZ-DLBZAZTESA-N 2 0 300.487 2.263 10 0 DEAERP c1cc2c(cc1NC1CC[NH+](CC3CC3)CC1)OCC[NH2+]C2 ZINC000530182078 284361976 /nfs/dbraw/zinc/36/19/76/284361976.db2.gz RDPKILVNKNLKGW-UHFFFAOYSA-N 2 0 301.434 2.455 10 0 DEAERP CCc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1C[NH2+]C1CC1 ZINC000110760437 194357363 /nfs/dbraw/zinc/35/73/63/194357363.db2.gz KNBUKGDLVGFMHA-UHFFFAOYSA-N 2 0 308.495 2.488 10 0 DEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccccc1OC(F)F ZINC000111133800 194394423 /nfs/dbraw/zinc/39/44/23/194394423.db2.gz SYUPCDVRNUCMGA-CYBMUJFWSA-N 2 0 301.381 2.171 10 0 DEAERP C[NH2+][C@H](CN(C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000111134734 194394015 /nfs/dbraw/zinc/39/40/15/194394015.db2.gz CHPXNTXXEJFNSY-CQSZACIVSA-N 2 0 303.372 2.459 10 0 DEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000111131570 194394056 /nfs/dbraw/zinc/39/40/56/194394056.db2.gz MSNSEZAQSXCQAZ-CQSZACIVSA-N 2 0 314.271 2.332 10 0 DEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000062964748 184263074 /nfs/dbraw/zinc/26/30/74/184263074.db2.gz OAIFBEZGTFGTFK-RISCZKNCSA-N 2 0 301.356 2.341 10 0 DEAERP c1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)sc1C[NH2+]C1CC1 ZINC000062975208 184263455 /nfs/dbraw/zinc/26/34/55/184263455.db2.gz QSMWKRYHWYNJEH-CQSZACIVSA-N 2 0 306.479 2.460 10 0 DEAERP c1nc(N2CC[C@H]([NH+]3CCCCC3)C2)sc1C[NH2+]C1CC1 ZINC000062975207 184263717 /nfs/dbraw/zinc/26/37/17/184263717.db2.gz QSMWKRYHWYNJEH-AWEZNQCLSA-N 2 0 306.479 2.460 10 0 DEAERP NC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000159220347 197336858 /nfs/dbraw/zinc/33/68/58/197336858.db2.gz MAIGOOKGQMITFI-QGZVFWFLSA-N 2 0 322.497 2.164 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246815454 145114912 /nfs/dbraw/zinc/11/49/12/145114912.db2.gz DJBJBOFTWIZPHI-BBWFWOEESA-N 2 0 324.513 2.279 10 0 DEAERP C[C@H]1CCN(Cc2nnc(C3CCC3)n2C)C[C@H]1n1ccnc1 ZINC000248385381 145152425 /nfs/dbraw/zinc/15/24/25/145152425.db2.gz IENAPXGAHHQPFV-DZGCQCFKSA-N 2 0 314.437 2.362 10 0 DEAERP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549153 145206948 /nfs/dbraw/zinc/20/69/48/145206948.db2.gz OGTAHBCRDAIHPY-FGTMMUONSA-N 2 0 315.461 2.237 10 0 DEAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261549649 145207306 /nfs/dbraw/zinc/20/73/06/145207306.db2.gz OWWSGCVNTPQTPM-FYQPLNBISA-N 3 0 313.489 2.486 10 0 DEAERP C[C@@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000261765574 145224301 /nfs/dbraw/zinc/22/43/01/145224301.db2.gz QRCXFSYAPIXXRH-QWHCGFSZSA-N 2 0 319.424 2.436 10 0 DEAERP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000261811698 145229058 /nfs/dbraw/zinc/22/90/58/145229058.db2.gz HLESAYHWEBYPFY-IAGOWNOFSA-N 2 0 315.461 2.237 10 0 DEAERP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261927409 145243468 /nfs/dbraw/zinc/24/34/68/145243468.db2.gz IXBNQWAKLXKNIT-DOTOQJQBSA-N 2 0 307.482 2.371 10 0 DEAERP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)nc1 ZINC000262146666 145266343 /nfs/dbraw/zinc/26/63/43/145266343.db2.gz ZPBUTRLPPVOUSN-CRAIPNDOSA-N 2 0 316.449 2.040 10 0 DEAERP C[C@H](CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262302712 145275220 /nfs/dbraw/zinc/27/52/20/145275220.db2.gz OUHPVESLCCDOHI-NCOADZHNSA-N 2 0 307.482 2.097 10 0 DEAERP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000262359901 145278361 /nfs/dbraw/zinc/27/83/61/145278361.db2.gz WHRUQDQAKHLSFZ-YHUYYLMFSA-N 2 0 302.418 2.337 10 0 DEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000262442204 145284476 /nfs/dbraw/zinc/28/44/76/145284476.db2.gz YEUCGGDKRZFWDI-BZSNNMDCSA-N 2 0 321.509 2.345 10 0 DEAERP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000305877606 145348653 /nfs/dbraw/zinc/34/86/53/145348653.db2.gz SBKSOJPCISNBDD-RCCFBDPRSA-N 2 0 300.446 2.402 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654654 145396796 /nfs/dbraw/zinc/39/67/96/145396796.db2.gz DUICVCHSRKFSOT-QRQLOZEOSA-N 3 0 319.493 2.241 10 0 DEAERP C[C@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000119097694 401925691 /nfs/dbraw/zinc/92/56/91/401925691.db2.gz JLHPBPRCYZJLEY-OTBWCIGPSA-N 2 0 324.513 2.231 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000119417986 401948884 /nfs/dbraw/zinc/94/88/84/401948884.db2.gz RFCIKYUOMUNSTK-UHFFFAOYSA-N 2 0 324.513 2.280 10 0 DEAERP C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+](C)C1CC1 ZINC000107846991 402242154 /nfs/dbraw/zinc/24/21/54/402242154.db2.gz XEONCICDCHSYCI-WBVHZDCISA-N 2 0 322.497 2.129 10 0 DEAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000164726212 402467714 /nfs/dbraw/zinc/46/77/14/402467714.db2.gz SXENROIYMSPDLP-IAGOWNOFSA-N 2 0 301.434 2.026 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247284908 402562604 /nfs/dbraw/zinc/56/26/04/402562604.db2.gz KMWDQEHRGAQEDT-IKGGRYGDSA-N 2 0 324.513 2.088 10 0 DEAERP C[C@H]1C[C@@H](Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[N@@H+]1C ZINC000179743418 402599552 /nfs/dbraw/zinc/59/95/52/402599552.db2.gz ULZVKVHXZCHWBT-GJZGRUSLSA-N 2 0 318.465 2.449 10 0 DEAERP CCn1nccc1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190478341 402604154 /nfs/dbraw/zinc/60/41/54/402604154.db2.gz OJMDAGVYNWRFAC-KRWDZBQOSA-N 2 0 313.449 2.252 10 0 DEAERP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171645399 402605257 /nfs/dbraw/zinc/60/52/57/402605257.db2.gz DWBNFYKXJGIZAY-INIZCTEOSA-N 2 0 318.465 2.464 10 0 DEAERP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000250144331 402645518 /nfs/dbraw/zinc/64/55/18/402645518.db2.gz ZOPBPAFJSRKFJR-OIISXLGYSA-N 2 0 303.450 2.184 10 0 DEAERP CCC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)C ZINC000181473500 402646548 /nfs/dbraw/zinc/64/65/48/402646548.db2.gz SMJDCUYUQPQCCF-ZMSDIMECSA-N 2 0 309.498 2.486 10 0 DEAERP CN1CCN([C@@H]2CCCC[N@H+](CCOc3ccccc3)C2)CC1 ZINC000174891967 402761373 /nfs/dbraw/zinc/76/13/73/402761373.db2.gz BBBKZSGSTLMRRO-GOSISDBHSA-N 2 0 317.477 2.167 10 0 DEAERP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000174013759 402723512 /nfs/dbraw/zinc/72/35/12/402723512.db2.gz UQSFVIZOCHBGCN-CVEARBPZSA-N 2 0 319.449 2.044 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000194137029 402785556 /nfs/dbraw/zinc/78/55/56/402785556.db2.gz LAWVYGARWPNGLL-KBPBESRZSA-N 2 0 324.494 2.134 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)CN1Cc1ccccc1 ZINC000303491660 403755355 /nfs/dbraw/zinc/75/53/55/403755355.db2.gz ZUCUZIRIKWIBPH-LTDKPHRXSA-N 2 0 315.461 2.283 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309768068 403963180 /nfs/dbraw/zinc/96/31/80/403963180.db2.gz ZYBXZFIHHHIHIJ-ZWKOTPCHSA-N 2 0 315.461 2.014 10 0 DEAERP c1[nH+]cn2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc12 ZINC000297508387 404565368 /nfs/dbraw/zinc/56/53/68/404565368.db2.gz MBHSGNUKWOMCHL-UHFFFAOYSA-N 3 0 307.401 2.488 10 0 DEAERP c1cncc(C[NH2+]CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414857269 404750047 /nfs/dbraw/zinc/75/00/47/404750047.db2.gz CHYDDTBYXMVUER-KSZLIROESA-N 2 0 302.466 2.072 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382719123 405031859 /nfs/dbraw/zinc/03/18/59/405031859.db2.gz JZYFDELTGKZCRU-VQIMIIECSA-N 2 0 315.461 2.252 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396358772 405057126 /nfs/dbraw/zinc/05/71/26/405057126.db2.gz IDOATYQVOPAMJR-DOTOQJQBSA-N 2 0 303.450 2.093 10 0 DEAERP CCn1nncc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000459377009 405878498 /nfs/dbraw/zinc/87/84/98/405878498.db2.gz OYZMOJRLBZLKIV-UHFFFAOYSA-N 2 0 305.470 2.386 10 0 DEAERP c1cnc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000635021885 406404699 /nfs/dbraw/zinc/40/46/99/406404699.db2.gz PIAFGGGELJCXDF-KZNAEPCWSA-N 2 0 311.429 2.482 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000129030971 196013445 /nfs/dbraw/zinc/01/34/45/196013445.db2.gz MMQVOXOCYXAJFU-WBVHZDCISA-N 2 0 324.513 2.090 10 0 DEAERP CC[NH+](CC)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193047879 424866951 /nfs/dbraw/zinc/86/69/51/424866951.db2.gz FPNHELNAGGNAGD-UHFFFAOYSA-N 2 0 324.513 2.236 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193727823 424871488 /nfs/dbraw/zinc/87/14/88/424871488.db2.gz OULCKJQVQIRJKZ-KRWDZBQOSA-N 2 0 324.513 2.136 10 0 DEAERP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390777113 424917347 /nfs/dbraw/zinc/91/73/47/424917347.db2.gz OBPKHNKXGSURSA-NVXWUHKLSA-N 2 0 303.450 2.142 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398039248 424922086 /nfs/dbraw/zinc/92/20/86/424922086.db2.gz KIKGCULHPNHHDW-JQHSSLGASA-N 2 0 317.477 2.387 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309593273 424893190 /nfs/dbraw/zinc/89/31/90/424893190.db2.gz PJGAUINUXJEDEE-IRXDYDNUSA-N 2 0 303.450 2.141 10 0 DEAERP CC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccccc1Br ZINC000311090520 424894997 /nfs/dbraw/zinc/89/49/97/424894997.db2.gz ICKJDSBQXRLEGG-VXGBXAGGSA-N 2 0 315.255 2.412 10 0 DEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(I)cc1 ZINC000575439460 424946756 /nfs/dbraw/zinc/94/67/56/424946756.db2.gz MRFDIRJQGHNVRP-LLVKDONJSA-N 2 0 304.175 2.420 10 0 DEAERP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000653201994 425433168 /nfs/dbraw/zinc/43/31/68/425433168.db2.gz CYBVNEGOVQDBJR-KONPQCLYSA-N 2 0 315.461 2.106 10 0 DEAERP C[N@H+]1CC=C(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000392196003 269099299 /nfs/dbraw/zinc/09/92/99/269099299.db2.gz COLIETVGWJILJX-INIZCTEOSA-N 2 0 323.481 2.485 10 0 DEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000397688508 269106677 /nfs/dbraw/zinc/10/66/77/269106677.db2.gz OYHNDDMIPQSXKX-FUHWJXTLSA-N 2 0 318.461 2.028 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261559657 276141776 /nfs/dbraw/zinc/14/17/76/276141776.db2.gz ZEJCLZSUTIPIEJ-RCCFBDPRSA-N 2 0 315.461 2.094 10 0 DEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246486390 278257626 /nfs/dbraw/zinc/25/76/26/278257626.db2.gz OYWZQCFURGNVJC-JJTUDDRGSA-N 2 0 307.482 2.144 10 0 DEAERP C[C@@H]1C[NH+](C[C@@H]2CCCN2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000170794134 297018409 /nfs/dbraw/zinc/01/84/09/297018409.db2.gz BWJHEYZRPOCLNR-KURKYZTESA-N 2 0 309.498 2.046 10 0 DEAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000238035515 295336965 /nfs/dbraw/zinc/33/69/65/295336965.db2.gz YYNKGPPMIRKCQW-IRXDYDNUSA-N 2 0 307.482 2.228 10 0 DEAERP C[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237548884 298285730 /nfs/dbraw/zinc/28/57/30/298285730.db2.gz CAJYMDXYEXZPKL-HZPDHXFCSA-N 2 0 307.482 2.099 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105241782 521645476 /nfs/dbraw/zinc/64/54/76/521645476.db2.gz AXGGAXMOIRAHFU-KRWDZBQOSA-N 2 0 324.513 2.378 10 0 DEAERP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000248851627 523966091 /nfs/dbraw/zinc/96/60/91/523966091.db2.gz BIGVVKWXBXGFOX-QZTJIDSGSA-N 2 0 309.413 2.321 10 0 DEAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000374812258 535161336 /nfs/dbraw/zinc/16/13/36/535161336.db2.gz ZJEOFTPKWMMSJU-DOTOQJQBSA-N 2 0 310.482 2.017 10 0 DEAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000247233959 535597559 /nfs/dbraw/zinc/59/75/59/535597559.db2.gz DHKNAZDJCQFQSD-RTBURBONSA-N 2 0 320.477 2.228 10 0 DEAERP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc[nH]c3)C2)ccn1 ZINC000886059628 691994914 /nfs/dbraw/zinc/99/49/14/691994914.db2.gz ICLSHBWSJSRDAZ-KRWDZBQOSA-N 2 0 300.406 2.125 10 0 DEAERP CC(=O)NCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716693662 793001713 /nfs/dbraw/zinc/00/17/13/793001713.db2.gz PUIUEIJNXABYOE-FHWLQOOXSA-N 2 0 315.461 2.155 10 0 DEAERP CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)NC ZINC000716714776 793003142 /nfs/dbraw/zinc/00/31/42/793003142.db2.gz WFZWQQCKJNUPMB-XLAORIBOSA-N 2 0 315.461 2.154 10 0 DEAERP C[C@@H]1[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CO[C@H]1C ZINC000405625705 802075475 /nfs/dbraw/zinc/07/54/75/802075475.db2.gz QTWGBJAXDANFEC-BQFCYCMXSA-N 2 0 318.461 2.027 10 0 DEAERP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)c2c(c1)OCCCO2 ZINC000069707676 1079969055 /nfs/dbraw/zinc/96/90/55/1079969055.db2.gz XVLXRVHFZVPFJI-UHFFFAOYSA-N 2 0 320.433 2.050 10 0 DEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000702077513 1086403923 /nfs/dbraw/zinc/40/39/23/1086403923.db2.gz QDAWGBRGQHQVMJ-UXHICEINSA-N 3 0 313.489 2.440 10 0 DEAERP C[N@@H+](Cc1ccc(N)c(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000078898899 185125203 /nfs/dbraw/zinc/12/52/03/185125203.db2.gz DYEXNYLHZUEOHU-LBPRGKRZSA-N 2 0 312.255 2.415 10 0 DEAERP CC[NH2+][C@H]1CCC2(C[C@H]1SCC[NH+](CC)CC)OCCO2 ZINC000088735837 185263701 /nfs/dbraw/zinc/26/37/01/185263701.db2.gz RAMJNXNABOFJLA-LSDHHAIUSA-N 2 0 316.511 2.335 10 0 DEAERP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000090327567 185291274 /nfs/dbraw/zinc/29/12/74/185291274.db2.gz QRKSMENGVKTMPM-LALPHHSUSA-N 2 0 307.825 2.208 10 0 DEAERP CC[NH2+][C@@H](Cc1ccc(CC)s1)C[C@@H]1C[N@H+](C)CCN1C ZINC000149690040 186052776 /nfs/dbraw/zinc/05/27/76/186052776.db2.gz IHSIRDAWDRHFBN-HUUCEWRRSA-N 2 0 309.523 2.467 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1[C@](C)(F)[C@H]1CCC[NH2+]C1 ZINC000164005805 186145608 /nfs/dbraw/zinc/14/56/08/186145608.db2.gz CGASUWKOMPSOGR-SMDDNHRTSA-N 2 0 302.825 2.282 10 0 DEAERP C[NH+](C)[C@@H]1CCN(c2ccc(CC[NH3+])cc2C(F)(F)F)C1 ZINC000163871917 186140903 /nfs/dbraw/zinc/14/09/03/186140903.db2.gz IKMWYGLRAIXMDK-GFCCVEGCSA-N 2 0 301.356 2.347 10 0 DEAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000066243149 354705726 /nfs/dbraw/zinc/70/57/26/354705726.db2.gz YISBPUYZCQHKDF-OAHLLOKOSA-N 2 0 300.450 2.357 10 0 DEAERP Cc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3CO)CC2)cc1C ZINC000169789478 355983509 /nfs/dbraw/zinc/98/35/09/355983509.db2.gz MSBJWKOCPSXQCK-SFHVURJKSA-N 2 0 302.462 2.440 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262666658 356343723 /nfs/dbraw/zinc/34/37/23/356343723.db2.gz KHDMYCQSUSUALX-NCOADZHNSA-N 2 0 307.482 2.288 10 0 DEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000591457674 357726388 /nfs/dbraw/zinc/72/63/88/357726388.db2.gz FRGYBTYSZYZVTI-IAGOWNOFSA-N 2 0 307.482 2.053 10 0 DEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262195207 296030179 /nfs/dbraw/zinc/03/01/79/296030179.db2.gz MMENLMLJRUGMJB-RPVQJOFSSA-N 2 0 301.434 2.102 10 0 DEAERP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000193311628 201027111 /nfs/dbraw/zinc/02/71/11/201027111.db2.gz FDRXUKLGBIKLGB-OAHLLOKOSA-N 2 0 303.450 2.237 10 0 DEAERP COc1ccc(C[NH+]2CCC(C[NH3+])(SC)CC2)cc1OC ZINC000091470793 193060686 /nfs/dbraw/zinc/06/06/86/193060686.db2.gz XIIZFPKXAGBNNP-UHFFFAOYSA-N 2 0 310.463 2.360 10 0 DEAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631692 193082967 /nfs/dbraw/zinc/08/29/67/193082967.db2.gz MOSNPQKBXYFNMM-GJZGRUSLSA-N 2 0 303.454 2.277 10 0 DEAERP c1ccc(OCCOCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888145 368444971 /nfs/dbraw/zinc/44/49/71/368444971.db2.gz UGTIAMDKDQLFJP-WMZOPIPTSA-N 2 0 304.434 2.156 10 0 DEAERP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)O1 ZINC000261752620 203109341 /nfs/dbraw/zinc/10/93/41/203109341.db2.gz DVJHMAZBXLEMIA-SJORKVTESA-N 2 0 317.433 2.117 10 0 DEAERP C[NH2+][C@@]1(CO)CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093618283 193275696 /nfs/dbraw/zinc/27/56/96/193275696.db2.gz QOAIAMGPXCPYIO-TZMCWYRMSA-N 2 0 308.388 2.401 10 0 DEAERP CC[NH2+][C@@H]1[C@H](C[N@H+](CCOC)[C@@H](C)COC)CCC1(C)C ZINC000094317865 193359402 /nfs/dbraw/zinc/35/94/02/193359402.db2.gz CBYNDBZITDWERW-HRCADAONSA-N 2 0 300.487 2.384 10 0 DEAERP CS(=O)(=O)[C@H]1CCC[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC000094634619 193386332 /nfs/dbraw/zinc/38/63/32/193386332.db2.gz WPUZWSJQDOBVKI-CVEARBPZSA-N 2 0 316.511 2.326 10 0 DEAERP CCC[NH2+][C@@H]1[C@H](C[N@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428442 193368560 /nfs/dbraw/zinc/36/85/60/193368560.db2.gz KDRUVYKKDIOFLY-LSDHHAIUSA-N 2 0 300.487 2.263 10 0 DEAERP COc1ccc([C@H](C[NH3+])N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000094458693 193371251 /nfs/dbraw/zinc/37/12/51/193371251.db2.gz OXKCEHLJDDIRNH-HIFRSBDPSA-N 2 0 309.841 2.128 10 0 DEAERP CC1(C)CCSC[C@@]1(C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000094484315 193373001 /nfs/dbraw/zinc/37/30/01/193373001.db2.gz NEDHKFFJPMSARB-DOTOQJQBSA-N 2 0 311.539 2.407 10 0 DEAERP CC1(C)CSC[C@@](C[NH3+])(N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000094489554 193373198 /nfs/dbraw/zinc/37/31/98/193373198.db2.gz MCEYGPWOQSVSMN-DOTOQJQBSA-N 2 0 311.539 2.407 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000530219031 284376340 /nfs/dbraw/zinc/37/63/40/284376340.db2.gz YPIWWLNTERGWRT-RYQLBKOJSA-N 2 0 313.445 2.117 10 0 DEAERP c1cc2c(c(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c1)OCO2 ZINC000530247979 284385568 /nfs/dbraw/zinc/38/55/68/284385568.db2.gz FPSRPKPRUNUCMC-INIZCTEOSA-N 2 0 318.417 2.006 10 0 DEAERP C[NH+](C)[C@@H]1CCN(c2nc(-c3ccccc3)c(C[NH3+])s2)C1 ZINC000110275425 194319199 /nfs/dbraw/zinc/31/91/99/194319199.db2.gz ZUODZXHEGCVHJT-CYBMUJFWSA-N 2 0 302.447 2.409 10 0 DEAERP CCCc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)sc1C[NH2+]C ZINC000110275677 194318836 /nfs/dbraw/zinc/31/88/36/194318836.db2.gz BARRYSIBKORCDA-CYBMUJFWSA-N 2 0 308.495 2.490 10 0 DEAERP C[NH+](C)C[C@@H]1CCCN1c1cc(Br)ccc1C[NH3+] ZINC000061645992 184181138 /nfs/dbraw/zinc/18/11/38/184181138.db2.gz FLRRJPDNJJPDNZ-ZDUSSCGKSA-N 2 0 312.255 2.438 10 0 DEAERP C[NH+](C)CC(C)(C)CNc1nc(CC[NH3+])nc2ccccc21 ZINC000065399307 184336891 /nfs/dbraw/zinc/33/68/91/184336891.db2.gz CORJNXUEEHOWSP-UHFFFAOYSA-N 2 0 301.438 2.131 10 0 DEAERP O=C1NCCCC[C@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000120292673 195136457 /nfs/dbraw/zinc/13/64/57/195136457.db2.gz FCSVBJRQOCPEDF-QGZVFWFLSA-N 2 0 307.482 2.243 10 0 DEAERP CNc1cc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)nc(SC)n1 ZINC000157388933 197183656 /nfs/dbraw/zinc/18/36/56/197183656.db2.gz CJVSQWSBLYJLCD-NWDGAFQWSA-N 2 0 307.467 2.303 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccco1 ZINC000541819672 285186511 /nfs/dbraw/zinc/18/65/11/285186511.db2.gz AFFLSGAXPRAAOI-OAHLLOKOSA-N 2 0 324.469 2.256 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000544665044 285366505 /nfs/dbraw/zinc/36/65/05/285366505.db2.gz RQYGLEUNBDKWIL-UHFFFAOYSA-N 2 0 312.502 2.236 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000245443000 145092421 /nfs/dbraw/zinc/09/24/21/145092421.db2.gz WTOVGOSHWZTDNP-KYJSFNMBSA-N 2 0 324.440 2.228 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000247461946 145137609 /nfs/dbraw/zinc/13/76/09/145137609.db2.gz ULSYNDXYHJTHQT-IXDOHACOSA-N 2 0 324.513 2.135 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000247508382 145139677 /nfs/dbraw/zinc/13/96/77/145139677.db2.gz YEHTWCUMEPPRAF-ZACQAIPSSA-N 2 0 324.513 2.135 10 0 DEAERP COc1ccccc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249045210 145176672 /nfs/dbraw/zinc/17/66/72/145176672.db2.gz VVVZEBSYVCTPCK-XYTVBORESA-N 2 0 315.461 2.489 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261559655 145208116 /nfs/dbraw/zinc/20/81/16/145208116.db2.gz ZEJCLZSUTIPIEJ-KSZLIROESA-N 2 0 315.461 2.094 10 0 DEAERP C[C@@]1(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261970114 145247546 /nfs/dbraw/zinc/24/75/46/145247546.db2.gz IFEZFUHVUDBVSV-GOSISDBHSA-N 2 0 322.497 2.082 10 0 DEAERP CC[NH+](CC)CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000261974193 145248959 /nfs/dbraw/zinc/24/89/59/145248959.db2.gz QMSGHKDRPCLCPM-UHFFFAOYSA-N 2 0 303.450 2.339 10 0 DEAERP O=C(CC1CCCC1)NC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262026789 145254747 /nfs/dbraw/zinc/25/47/47/145254747.db2.gz WTIHIKFSWSBRGU-INIZCTEOSA-N 2 0 307.482 2.147 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262261684 145272099 /nfs/dbraw/zinc/27/20/99/145272099.db2.gz JKSQWZCANMLBAA-IKKRTKPYSA-N 2 0 321.509 2.377 10 0 DEAERP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000305877605 145348679 /nfs/dbraw/zinc/34/86/79/145348679.db2.gz SBKSOJPCISNBDD-OKZBNKHCSA-N 2 0 300.446 2.402 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127327461 401729374 /nfs/dbraw/zinc/72/93/74/401729374.db2.gz ZZIPBMUDHBIPJX-ZBFHGGJFSA-N 2 0 322.497 2.033 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000078434392 401851121 /nfs/dbraw/zinc/85/11/21/401851121.db2.gz XNKSYCJXBCXYTD-WBVHZDCISA-N 2 0 320.481 2.319 10 0 DEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119043235 401921245 /nfs/dbraw/zinc/92/12/45/401921245.db2.gz KHWAMHFMDNDPAV-OFLPRAFFSA-N 2 0 324.513 2.088 10 0 DEAERP CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000123246762 402117311 /nfs/dbraw/zinc/11/73/11/402117311.db2.gz GLXZCJPVNLARBO-IKGGRYGDSA-N 2 0 324.513 2.136 10 0 DEAERP COc1ccc(C)cc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123423883 402127169 /nfs/dbraw/zinc/12/71/69/402127169.db2.gz BRLJHNIURDKWOB-CABCVRRESA-N 2 0 319.449 2.357 10 0 DEAERP COc1cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1F ZINC000153617497 402157232 /nfs/dbraw/zinc/15/72/32/402157232.db2.gz SCSPRLHDLQGAHO-UONOGXRCSA-N 2 0 309.429 2.121 10 0 DEAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1nccn1C ZINC000246078896 402507654 /nfs/dbraw/zinc/50/76/54/402507654.db2.gz UQEYEYZFTTVHQV-HLLBOEOZSA-N 2 0 313.449 2.376 10 0 DEAERP [NH3+][C@H]1CCC[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000178828991 402544167 /nfs/dbraw/zinc/54/41/67/402544167.db2.gz BTWGKGNOEKOBRJ-CABCVRRESA-N 2 0 307.482 2.417 10 0 DEAERP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000178839885 402545417 /nfs/dbraw/zinc/54/54/17/402545417.db2.gz KUCVVMZRCWTZHB-SAGYGOJTSA-N 2 0 321.509 2.473 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189958616 402568170 /nfs/dbraw/zinc/56/81/70/402568170.db2.gz JYNGIPOJBBDNNQ-OAHLLOKOSA-N 2 0 312.502 2.088 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246341762 402525820 /nfs/dbraw/zinc/52/58/20/402525820.db2.gz OVLLSFJPSVARLE-XHSDSOJGSA-N 2 0 312.502 2.087 10 0 DEAERP COCc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000179213222 402581736 /nfs/dbraw/zinc/58/17/36/402581736.db2.gz UKRDYLPWPXQARD-INIZCTEOSA-N 2 0 320.477 2.358 10 0 DEAERP Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000179270289 402583304 /nfs/dbraw/zinc/58/33/04/402583304.db2.gz FRFIFCVWEAGACE-QGZVFWFLSA-N 2 0 305.470 2.093 10 0 DEAERP C[C@@H]1CCC[C@](CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000262036110 402721349 /nfs/dbraw/zinc/72/13/49/402721349.db2.gz XZIYLHPUWQFALW-ZRSRNVLSSA-N 2 0 323.525 2.244 10 0 DEAERP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000172619055 402666953 /nfs/dbraw/zinc/66/69/53/402666953.db2.gz NVFMLJLXSMVMEZ-UHFFFAOYSA-N 2 0 301.434 2.059 10 0 DEAERP C[C@H]1C[C@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000173278384 402690716 /nfs/dbraw/zinc/69/07/16/402690716.db2.gz UTYDXSMHXXUJFT-DZGCQCFKSA-N 2 0 324.513 2.420 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000263254757 402751359 /nfs/dbraw/zinc/75/13/59/402751359.db2.gz KRQDCTOVAMCZGP-LTIDMASMSA-N 2 0 307.482 2.227 10 0 DEAERP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000175106285 402779587 /nfs/dbraw/zinc/77/95/87/402779587.db2.gz PBHJAFANJMCARD-YOEHRIQHSA-N 2 0 303.450 2.303 10 0 DEAERP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2cocn2)CC1)c1ccccc1 ZINC000192309290 402722124 /nfs/dbraw/zinc/72/21/24/402722124.db2.gz VVZQNHNXTFQLSQ-SFHVURJKSA-N 2 0 315.417 2.210 10 0 DEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000194691152 402810669 /nfs/dbraw/zinc/81/06/69/402810669.db2.gz RMILIKDLGRYCSL-MSOLQXFVSA-N 2 0 315.461 2.109 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000194148072 402785743 /nfs/dbraw/zinc/78/57/43/402785743.db2.gz ZOLQKZAZPZPWMH-QGZVFWFLSA-N 2 0 324.513 2.282 10 0 DEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccccc1 ZINC000333559161 403780448 /nfs/dbraw/zinc/78/04/48/403780448.db2.gz KPHOOXOTIZNUHT-NCOADZHNSA-N 2 0 316.449 2.001 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000333586714 403785731 /nfs/dbraw/zinc/78/57/31/403785731.db2.gz OEGKHKLSAZOBBA-HYVNUMGLSA-N 2 0 322.497 2.081 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323581361 404092858 /nfs/dbraw/zinc/09/28/58/404092858.db2.gz ZCGVUNLSMMWWRT-KRWDZBQOSA-N 2 0 303.450 2.094 10 0 DEAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000363850655 404226762 /nfs/dbraw/zinc/22/67/62/404226762.db2.gz PZCMOEXZFOZJMC-QGZVFWFLSA-N 2 0 307.482 2.053 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382719121 405032208 /nfs/dbraw/zinc/03/22/08/405032208.db2.gz JZYFDELTGKZCRU-LPHOPBHVSA-N 2 0 315.461 2.252 10 0 DEAERP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000396337310 405056737 /nfs/dbraw/zinc/05/67/37/405056737.db2.gz VTQSLKMOUNSNCR-SJLPKXTDSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000396334503 405057186 /nfs/dbraw/zinc/05/71/86/405057186.db2.gz TUUCSBHWNWNPQI-BPQIPLTHSA-N 2 0 315.461 2.094 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000397496972 405058387 /nfs/dbraw/zinc/05/83/87/405058387.db2.gz FLFVYJBLVNRMGI-WBVHZDCISA-N 2 0 320.502 2.497 10 0 DEAERP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000436287255 405066681 /nfs/dbraw/zinc/06/66/81/405066681.db2.gz ISZJYPQYEDTOMW-QKPAOTATSA-N 2 0 310.388 2.398 10 0 DEAERP C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060821 405697374 /nfs/dbraw/zinc/69/73/74/405697374.db2.gz JBKMMODPVROYLZ-ZYSHUDEJSA-N 2 0 301.478 2.485 10 0 DEAERP C[NH2+]CCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850419 405713918 /nfs/dbraw/zinc/71/39/18/405713918.db2.gz GCBNOGFUBYBVFT-QGZVFWFLSA-N 2 0 303.450 2.157 10 0 DEAERP C(C[C@@H]1CCO1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000638956228 405781948 /nfs/dbraw/zinc/78/19/48/405781948.db2.gz HMOGXQMAKLSHDB-GOSISDBHSA-N 2 0 310.482 2.380 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000537215976 406286512 /nfs/dbraw/zinc/28/65/12/406286512.db2.gz LCDPCYQKQREOHK-UHFFFAOYSA-N 2 0 312.417 2.271 10 0 DEAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635010081 406398556 /nfs/dbraw/zinc/39/85/56/406398556.db2.gz YAUDMCAKXCOOJF-OYSPMZIOSA-N 2 0 315.461 2.333 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000128949267 196006470 /nfs/dbraw/zinc/00/64/70/196006470.db2.gz GQLWYZVXMYHXIL-HRCADAONSA-N 2 0 312.502 2.088 10 0 DEAERP CC(C)[NH+](CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000132436686 196256119 /nfs/dbraw/zinc/25/61/19/196256119.db2.gz ZEZASMBXGIIOLP-HOTGVXAUSA-N 2 0 312.502 2.133 10 0 DEAERP C[C@@H]1CNC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000401795144 424923979 /nfs/dbraw/zinc/92/39/79/424923979.db2.gz DZHRFUQCNCSDRN-QFBILLFUSA-N 2 0 301.478 2.486 10 0 DEAERP Nc1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310102038 424895147 /nfs/dbraw/zinc/89/51/47/424895147.db2.gz YFMADIPFOWGXHU-MRXNPFEDSA-N 2 0 324.428 2.306 10 0 DEAERP [NH3+]C1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000333894397 269001602 /nfs/dbraw/zinc/00/16/02/269001602.db2.gz YTKZLBXGKQBKFW-INIZCTEOSA-N 2 0 322.497 2.308 10 0 DEAERP COCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397611542 269106473 /nfs/dbraw/zinc/10/64/73/269106473.db2.gz ZXFGUCGOOVVHGA-QGZVFWFLSA-N 2 0 320.477 2.418 10 0 DEAERP C[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000261737736 278145054 /nfs/dbraw/zinc/14/50/54/278145054.db2.gz NQEHMCIDXFYYSS-FZCLSBEQSA-N 2 0 315.461 2.408 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111826663 278969897 /nfs/dbraw/zinc/96/98/97/278969897.db2.gz NXZNMFLUQPKXDP-INIZCTEOSA-N 2 0 312.502 2.135 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111826666 279123164 /nfs/dbraw/zinc/12/31/64/279123164.db2.gz NXZNMFLUQPKXDP-MRXNPFEDSA-N 2 0 312.502 2.135 10 0 DEAERP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C12CCOCC2 ZINC000186215098 279919839 /nfs/dbraw/zinc/91/98/39/279919839.db2.gz MKKUHZREMIVLQC-SJORKVTESA-N 2 0 310.482 2.426 10 0 DEAERP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576823699 326321991 /nfs/dbraw/zinc/32/19/91/326321991.db2.gz WWEAUROOLPGZRJ-GUTXKFCHSA-N 2 0 307.463 2.426 10 0 DEAERP CCC[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000156614100 520987444 /nfs/dbraw/zinc/98/74/44/520987444.db2.gz JCWCFFMQAVWUII-RYQLBKOJSA-N 2 0 317.477 2.353 10 0 DEAERP C[C@H]([NH3+])CCC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000248882284 524831573 /nfs/dbraw/zinc/83/15/73/524831573.db2.gz SNCZXFVBUKEZMF-OAGGEKHMSA-N 2 0 317.477 2.387 10 0 DEAERP C[C@@H](NC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000080890980 649156754 /nfs/dbraw/zinc/15/67/54/649156754.db2.gz ONYIGLOXJBVMST-CQSZACIVSA-N 2 0 300.450 2.485 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000380925000 685398721 /nfs/dbraw/zinc/39/87/21/685398721.db2.gz BRDXILJRZSSCRR-RBUKOAKNSA-N 3 0 319.493 2.242 10 0 DEAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382722017 685405313 /nfs/dbraw/zinc/40/53/13/685405313.db2.gz NZHSICNSBGTJLO-LMMKCTJWSA-N 2 0 301.478 2.438 10 0 DEAERP C[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000121447471 684107003 /nfs/dbraw/zinc/10/70/03/684107003.db2.gz UOJHLTGIKRIYLI-WDYCEAGBSA-N 2 0 315.461 2.298 10 0 DEAERP OC1CC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638673 792982347 /nfs/dbraw/zinc/98/23/47/792982347.db2.gz PUYHTDDGTYRZBK-CKGODYTQSA-N 2 0 300.446 2.400 10 0 DEAERP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401747422 801849040 /nfs/dbraw/zinc/84/90/40/801849040.db2.gz LDHKSNOITOODCU-GOEBONIOSA-N 2 0 323.481 2.483 10 0 DEAERP C[C@H](CC[NH+](C)C)[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701855597 1086390552 /nfs/dbraw/zinc/39/05/52/1086390552.db2.gz KEBLALBZCHXEAC-TUBUQKNSSA-N 2 0 311.470 2.316 10 0 DEAERP CC[NH2+]CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709632926 1086684602 /nfs/dbraw/zinc/68/46/02/1086684602.db2.gz HODLXVPDFGFEQP-QGZVFWFLSA-N 2 0 303.450 2.157 10 0 DEAERP CC(C)(C)OC(=O)N1CC(C[NH2+]CCC[NH+]2CCCCC2)C1 ZINC000710974586 1086692305 /nfs/dbraw/zinc/69/23/05/1086692305.db2.gz VMLLMHHJGHOJKR-UHFFFAOYSA-N 2 0 311.470 2.319 10 0 DEAERP [NH3+][C@@H]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000164726327 197662709 /nfs/dbraw/zinc/66/27/09/197662709.db2.gz SXENROIYMSPDLP-DLBZAZTESA-N 2 0 301.434 2.026 10 0 DEAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000176609772 282257506 /nfs/dbraw/zinc/25/75/06/282257506.db2.gz ANDVXPFFNXGVDN-WBVHZDCISA-N 2 0 322.497 2.129 10 0 DEAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(C)(C)O ZINC000105903271 282393890 /nfs/dbraw/zinc/39/38/90/282393890.db2.gz ACZHZSWPWYPALC-SFHVURJKSA-N 2 0 320.477 2.135 10 0 DEAERP CCC[NH2+][C@@](C)(CO)CCCC[NH+]1CCC(COC)CC1 ZINC000070335682 190881910 /nfs/dbraw/zinc/88/19/10/190881910.db2.gz BHRAKJDGHADQDE-QGZVFWFLSA-N 2 0 300.487 2.266 10 0 DEAERP C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000072158325 191061114 /nfs/dbraw/zinc/06/11/14/191061114.db2.gz WXHZJKWWNPGRTD-HNNXBMFYSA-N 2 0 319.449 2.432 10 0 DEAERP C[C@H]1CN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC[N@@H+]1C ZINC000164307124 186155357 /nfs/dbraw/zinc/15/53/57/186155357.db2.gz QXFLOAVJVBHNLU-VIFPVBQESA-N 2 0 300.328 2.130 10 0 DEAERP COc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000173345815 186178983 /nfs/dbraw/zinc/17/89/83/186178983.db2.gz UGCBUXUDWCQYJT-GOEBONIOSA-N 2 0 322.449 2.201 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1CCC[N@@H+](C2CC2)CC1)C(C)C ZINC000072518516 191186115 /nfs/dbraw/zinc/18/61/15/191186115.db2.gz HCQZVTCPRTYCGT-UHFFFAOYSA-N 2 0 324.513 2.375 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073722623 191347757 /nfs/dbraw/zinc/34/77/57/191347757.db2.gz VFPABFYCNGMQIQ-IFFAKLHKSA-N 2 0 324.513 2.277 10 0 DEAERP C[C@H]([NH3+])CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404289806 540144103 /nfs/dbraw/zinc/14/41/03/540144103.db2.gz AHLONDZKHMSVBE-JONQDZQNSA-N 2 0 303.450 2.234 10 0 DEAERP C[C@@H]1CCC[C@@]([NH3+])(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000080937355 192203788 /nfs/dbraw/zinc/20/37/88/192203788.db2.gz JIVLGLAXPZTBQI-WWGRRREGSA-N 2 0 309.479 2.375 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000262679365 356343645 /nfs/dbraw/zinc/34/36/45/356343645.db2.gz VSTVOLDBNXIIEP-NXOAAHMSSA-N 2 0 309.498 2.201 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000262679367 356343761 /nfs/dbraw/zinc/34/37/61/356343761.db2.gz VSTVOLDBNXIIEP-YVSFHVDLSA-N 2 0 309.498 2.201 10 0 DEAERP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400420280 283156652 /nfs/dbraw/zinc/15/66/52/283156652.db2.gz WSQOZPWTOUGZEY-VQIMIIECSA-N 3 0 301.478 2.486 10 0 DEAERP C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000381880001 356672943 /nfs/dbraw/zinc/67/29/43/356672943.db2.gz OLEMZFRPVIREMT-GJZGRUSLSA-N 2 0 313.486 2.421 10 0 DEAERP C[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000181205912 199265409 /nfs/dbraw/zinc/26/54/09/199265409.db2.gz YWIMKDFPPPIQRH-MJBXVCDLSA-N 2 0 305.422 2.224 10 0 DEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)C(=O)CCC[NH3+] ZINC000237682418 202326915 /nfs/dbraw/zinc/32/69/15/202326915.db2.gz HSMBUCJUJCRZOO-HOTGVXAUSA-N 2 0 317.477 2.340 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000608693535 361251267 /nfs/dbraw/zinc/25/12/67/361251267.db2.gz RXCWMHRJSJPXLV-HNNXBMFYSA-N 2 0 324.513 2.138 10 0 DEAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591546 239033768 /nfs/dbraw/zinc/03/37/68/239033768.db2.gz DLKKCEAQOGXGGN-HKUYNNGSSA-N 2 0 319.493 2.065 10 0 DEAERP CC[NH2+]Cc1c(N2CCC[C@H]([NH+](C)C)C2)nc2sccn12 ZINC000091393766 193051046 /nfs/dbraw/zinc/05/10/46/193051046.db2.gz NBAQRXQWDQNXOV-LBPRGKRZSA-N 2 0 307.467 2.036 10 0 DEAERP CSC1(C[NH3+])CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000091471485 193061784 /nfs/dbraw/zinc/06/17/84/193061784.db2.gz RLEBAIATIPYIAL-UHFFFAOYSA-N 2 0 307.463 2.090 10 0 DEAERP Nc1[nH+]c2cc(Cl)ccc2n1C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091675130 193088839 /nfs/dbraw/zinc/08/88/39/193088839.db2.gz KTXQRDZPAFJYGW-NEPJUHHUSA-N 2 0 306.797 2.135 10 0 DEAERP C(NC1=[NH+]C2(CS1)CCCCC2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091675428 193089127 /nfs/dbraw/zinc/08/91/27/193089127.db2.gz QLXXBDNCSDOVHX-ZIAGYGMSSA-N 2 0 309.479 2.245 10 0 DEAERP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1C[NH2+]C1CC1 ZINC000092004864 193139633 /nfs/dbraw/zinc/13/96/33/193139633.db2.gz NVPGURKCNHGWHY-KGLIPLIRSA-N 2 0 306.479 2.376 10 0 DEAERP CCC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@H+](CC)CCOCC ZINC000093597922 193272851 /nfs/dbraw/zinc/27/28/51/193272851.db2.gz KKMINXWJJBEIHO-DLBZAZTESA-N 2 0 300.487 2.266 10 0 DEAERP CC[NH2+][C@@H]1[C@H](C[N@H+](CCCOC)CCOC)CCC1(C)C ZINC000094317435 193359662 /nfs/dbraw/zinc/35/96/62/193359662.db2.gz VJTSVEOXUXTEPZ-JKSUJKDBSA-N 2 0 300.487 2.386 10 0 DEAERP COc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000153582770 291573378 /nfs/dbraw/zinc/57/33/78/291573378.db2.gz DTBJTAFTUPLJAV-LSDHHAIUSA-N 2 0 323.456 2.368 10 0 DEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000111132553 194394721 /nfs/dbraw/zinc/39/47/21/194394721.db2.gz ILYCZORSBOSEKO-ZDUSSCGKSA-N 2 0 318.234 2.081 10 0 DEAERP CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCC[NH2+]C1 ZINC000062859195 184256955 /nfs/dbraw/zinc/25/69/55/184256955.db2.gz JNTFJMYSJMHHGQ-XJKSGUPXSA-N 2 0 309.479 2.247 10 0 DEAERP CC[NH+](CC)[C@H]1CCN(c2nc3sccn3c2C[NH2+]C)C1 ZINC000062967247 184263530 /nfs/dbraw/zinc/26/35/30/184263530.db2.gz KCAUCDIZACQFMQ-LBPRGKRZSA-N 2 0 307.467 2.036 10 0 DEAERP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000158990812 197317446 /nfs/dbraw/zinc/31/74/46/197317446.db2.gz DTXCLPIVPHQDPC-ROUUACIJSA-N 2 0 317.477 2.498 10 0 DEAERP COc1ccc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+](C)C)[C@@H]3C2)cc1 ZINC000247965911 257112642 /nfs/dbraw/zinc/11/26/42/257112642.db2.gz GKMGDWSOHBLDOI-NXHRZFHOSA-N 2 0 304.434 2.094 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1[C@H]([NH3+])CC[C@H]1CCCO1 ZINC000125569247 195764029 /nfs/dbraw/zinc/76/40/29/195764029.db2.gz TUHSCFQFZKIHNO-DGCLKSJQSA-N 2 0 300.834 2.057 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000358182441 133126657 /nfs/dbraw/zinc/12/66/57/133126657.db2.gz DCKPNAZGJGRUEI-SJORKVTESA-N 2 0 322.497 2.058 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000358183211 133126853 /nfs/dbraw/zinc/12/68/53/133126853.db2.gz FKHOJRGWLHMWEP-UHFFFAOYSA-N 2 0 322.497 2.060 10 0 DEAERP C[NH+](C)CCOc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000362696466 133246139 /nfs/dbraw/zinc/24/61/39/133246139.db2.gz CRSWPIWYBWSTHO-UHFFFAOYSA-N 2 0 319.449 2.297 10 0 DEAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000362721931 133247854 /nfs/dbraw/zinc/24/78/54/133247854.db2.gz DCQRJNWSCFYMMS-KRWDZBQOSA-N 2 0 309.498 2.489 10 0 DEAERP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373115145 133378045 /nfs/dbraw/zinc/37/80/45/133378045.db2.gz HVLLWIKMGAUQAS-QZTJIDSGSA-N 2 0 312.498 2.362 10 0 DEAERP O=C1C[C@H](c2ccccc2)N(CCC[NH+]2CCCC2)CCN1 ZINC000193476069 145086431 /nfs/dbraw/zinc/08/64/31/145086431.db2.gz LRHYWYSWDVSART-QGZVFWFLSA-N 2 0 301.434 2.036 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000245444273 145092385 /nfs/dbraw/zinc/09/23/85/145092385.db2.gz XYCRNLQACXSKQO-ROUUACIJSA-N 2 0 315.461 2.447 10 0 DEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246696362 145110682 /nfs/dbraw/zinc/11/06/82/145110682.db2.gz XNBIQCSNTROXQL-JKSUJKDBSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246815483 145115381 /nfs/dbraw/zinc/11/53/81/145115381.db2.gz DJBJBOFTWIZPHI-BRWVUGGUSA-N 2 0 324.513 2.279 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCCCC[NH+](C)C ZINC000247082102 145125449 /nfs/dbraw/zinc/12/54/49/145125449.db2.gz HXDHRMLTGBGBAI-SJORKVTESA-N 2 0 324.513 2.377 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261559656 145207567 /nfs/dbraw/zinc/20/75/67/145207567.db2.gz ZEJCLZSUTIPIEJ-OKZBNKHCSA-N 2 0 315.461 2.094 10 0 DEAERP CC1(C)C[N@H+](CCC(=O)N2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261678490 145216184 /nfs/dbraw/zinc/21/61/84/145216184.db2.gz GUVOXGPJAAZDPF-INIZCTEOSA-N 2 0 301.434 2.025 10 0 DEAERP C[C@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000261764065 145224033 /nfs/dbraw/zinc/22/40/33/145224033.db2.gz QRCXFSYAPIXXRH-CHWSQXEVSA-N 2 0 319.424 2.436 10 0 DEAERP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000261812350 145229350 /nfs/dbraw/zinc/22/93/50/145229350.db2.gz RXWMKVARIUPDDI-DZOHQFGASA-N 2 0 315.461 2.141 10 0 DEAERP C[C@@]1(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)CC[NH2+]C1 ZINC000261918645 145241915 /nfs/dbraw/zinc/24/19/15/145241915.db2.gz BIYPYTAYSPYJPZ-GOSISDBHSA-N 2 0 317.433 2.042 10 0 DEAERP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261925187 145242484 /nfs/dbraw/zinc/24/24/84/145242484.db2.gz INXYKXMAQONFBL-OLZOCXBDSA-N 2 0 307.413 2.062 10 0 DEAERP C[C@@]1(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000262072597 145259413 /nfs/dbraw/zinc/25/94/13/145259413.db2.gz SEKKRIXKIPUTTA-GOSISDBHSA-N 2 0 319.424 2.476 10 0 DEAERP C[C@]1(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262093872 145261069 /nfs/dbraw/zinc/26/10/69/145261069.db2.gz UZORYIOBTXHCRF-SFHVURJKSA-N 2 0 319.424 2.476 10 0 DEAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262195199 145268849 /nfs/dbraw/zinc/26/88/49/145268849.db2.gz MMENLMLJRUGMJB-QANKJYHBSA-N 2 0 301.434 2.102 10 0 DEAERP C[C@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460644 145285393 /nfs/dbraw/zinc/28/53/93/145285393.db2.gz INMXDASLVQNBAA-XJKSGUPXSA-N 2 0 307.413 2.077 10 0 DEAERP Clc1cccc(-c2noc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)c1 ZINC000262530539 145290757 /nfs/dbraw/zinc/29/07/57/145290757.db2.gz PMSVEHWEKXCGAY-CHWSQXEVSA-N 2 0 318.808 2.431 10 0 DEAERP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000305877603 145348594 /nfs/dbraw/zinc/34/85/94/145348594.db2.gz SBKSOJPCISNBDD-FGTMMUONSA-N 2 0 300.446 2.402 10 0 DEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111841737 401725791 /nfs/dbraw/zinc/72/57/91/401725791.db2.gz BYQMOKOIKHWJDV-INIZCTEOSA-N 2 0 310.486 2.036 10 0 DEAERP CC(C)[NH2+]C1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119129509 401927774 /nfs/dbraw/zinc/92/77/74/401927774.db2.gz NRASPTNILIEYII-UHFFFAOYSA-N 2 0 324.513 2.279 10 0 DEAERP Cc1cc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)no1 ZINC000047971007 401991323 /nfs/dbraw/zinc/99/13/23/401991323.db2.gz JBMQWMLNUFTHJZ-UHFFFAOYSA-N 2 0 320.437 2.119 10 0 DEAERP C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(-n2ccnc2)c1 ZINC000151666252 402049335 /nfs/dbraw/zinc/04/93/35/402049335.db2.gz LNETZLAMQRECDQ-ZDUSSCGKSA-N 2 0 313.405 2.066 10 0 DEAERP CC1CCN(C(=O)C2CC[NH+](CCC[NH+]3CCCC3)CC2)CC1 ZINC000153061868 402124793 /nfs/dbraw/zinc/12/47/93/402124793.db2.gz ROWXVBRJXPRSOR-UHFFFAOYSA-N 2 0 321.509 2.443 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000176414293 402307164 /nfs/dbraw/zinc/30/71/64/402307164.db2.gz GUDYFDARVXABBB-QGZVFWFLSA-N 2 0 324.513 2.234 10 0 DEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176486656 402313544 /nfs/dbraw/zinc/31/35/44/402313544.db2.gz SHSPIXIYWLBWFL-QGZVFWFLSA-N 2 0 322.497 2.129 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000234729340 402360938 /nfs/dbraw/zinc/36/09/38/402360938.db2.gz HERXKMBPOYMNJB-GFCCVEGCSA-N 2 0 319.218 2.432 10 0 DEAERP COc1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1C ZINC000246091299 402509013 /nfs/dbraw/zinc/50/90/13/402509013.db2.gz IPBXHHZBYLBSBH-WMLDXEAASA-N 2 0 318.465 2.186 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000247461877 402567637 /nfs/dbraw/zinc/56/76/37/402567637.db2.gz ULKQZLLFJGDDQD-UKRRQHHQSA-N 2 0 324.513 2.324 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000246179098 402516033 /nfs/dbraw/zinc/51/60/33/402516033.db2.gz LQFGGGRGRLHKPZ-IRXDYDNUSA-N 2 0 324.513 2.373 10 0 DEAERP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246352312 402526803 /nfs/dbraw/zinc/52/68/03/402526803.db2.gz PFFSDSFDNVSXSV-RBSFLKMASA-N 2 0 312.502 2.087 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246469124 402532930 /nfs/dbraw/zinc/53/29/30/402532930.db2.gz VIEZQXLDVYCORT-SJORKVTESA-N 2 0 322.497 2.127 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246528066 402535441 /nfs/dbraw/zinc/53/54/41/402535441.db2.gz XRNIFSRYYRNCHE-ZACQAIPSSA-N 2 0 324.513 2.373 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249752654 402640581 /nfs/dbraw/zinc/64/05/81/402640581.db2.gz DXJABOYYWHRAAD-IAGOWNOFSA-N 2 0 324.513 2.425 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccco2)N(C)C)CC[N@@H+]1C ZINC000252537989 402658689 /nfs/dbraw/zinc/65/86/89/402658689.db2.gz BWXKWESOHQCYLS-RBSFLKMASA-N 2 0 322.453 2.006 10 0 DEAERP Cc1cccc(NC[C@H]2CCN(CC(=O)OCC(C)C)C2)[nH+]1 ZINC000181462167 402646117 /nfs/dbraw/zinc/64/61/17/402646117.db2.gz CJKCAAMFZGPKPH-OAHLLOKOSA-N 2 0 305.422 2.323 10 0 DEAERP CO[C@H]1C[NH+](CCCC[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251853857 402650537 /nfs/dbraw/zinc/65/05/37/402650537.db2.gz NSPVRTBWVKEIMC-USTZCAOPSA-N 2 0 312.498 2.480 10 0 DEAERP CN1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000174887118 402761742 /nfs/dbraw/zinc/76/17/42/402761742.db2.gz QRBATJVEYARDFY-QGZVFWFLSA-N 2 0 305.441 2.428 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146253 402785633 /nfs/dbraw/zinc/78/56/33/402785633.db2.gz LSVYGVXAGGDCAF-BBWFWOEESA-N 2 0 324.513 2.138 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000194160093 402786226 /nfs/dbraw/zinc/78/62/26/402786226.db2.gz LPSBEPQYFPZROE-HNNXBMFYSA-N 2 0 310.486 2.033 10 0 DEAERP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516256 402849829 /nfs/dbraw/zinc/84/98/29/402849829.db2.gz NTSGHNSMKFFUIM-JKSUJKDBSA-N 2 0 318.465 2.429 10 0 DEAERP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ncn2)C1 ZINC000333576938 403783561 /nfs/dbraw/zinc/78/35/61/403783561.db2.gz SUWFPVDGEMJAQA-QKPAOTATSA-N 2 0 315.465 2.277 10 0 DEAERP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000333647541 403803294 /nfs/dbraw/zinc/80/32/94/403803294.db2.gz JHAFMDCCIBCCRP-GDBMZVCRSA-N 2 0 302.422 2.077 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379655277 405028449 /nfs/dbraw/zinc/02/84/49/405028449.db2.gz LFEJVBXZGBRSBE-RBUKOAKNSA-N 2 0 319.493 2.385 10 0 DEAERP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000397496970 405058204 /nfs/dbraw/zinc/05/82/04/405058204.db2.gz FLFVYJBLVNRMGI-RDJZCZTQSA-N 2 0 320.502 2.497 10 0 DEAERP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000638852135 405715578 /nfs/dbraw/zinc/71/55/78/405715578.db2.gz VDKUMFMEIHMWIZ-ROUUACIJSA-N 2 0 315.461 2.157 10 0 DEAERP c1[nH+]cn2cc(C[NH2+]C3CCN(Cc4ccncc4)CC3)ccc12 ZINC000459663663 405999694 /nfs/dbraw/zinc/99/96/94/405999694.db2.gz XQYYKVFERZUFKL-UHFFFAOYSA-N 2 0 321.428 2.484 10 0 DEAERP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000639474503 406104713 /nfs/dbraw/zinc/10/47/13/406104713.db2.gz OROAEFNVHVSVMW-IAGOWNOFSA-N 2 0 317.481 2.353 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000634724287 406248969 /nfs/dbraw/zinc/24/89/69/406248969.db2.gz NIFKNXAJBWHOMZ-NZSAHSFTSA-N 2 0 320.477 2.130 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000129850090 196081140 /nfs/dbraw/zinc/08/11/40/196081140.db2.gz NZSHJEYFYRAWAC-JKSUJKDBSA-N 2 0 312.502 2.090 10 0 DEAERP C[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000397496980 424921426 /nfs/dbraw/zinc/92/14/26/424921426.db2.gz FLMJKPRWKJXELA-IBGZPJMESA-N 2 0 315.461 2.157 10 0 DEAERP C[C@H]1CSC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397507065 269106447 /nfs/dbraw/zinc/10/64/47/269106447.db2.gz JTRXPFAQPCTNGG-DOTOQJQBSA-N 2 0 320.502 2.355 10 0 DEAERP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000178839980 278709117 /nfs/dbraw/zinc/70/91/17/278709117.db2.gz KUCVVMZRCWTZHB-QLOLRVAOSA-N 2 0 321.509 2.473 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105174547 279318421 /nfs/dbraw/zinc/31/84/21/279318421.db2.gz BBKDFGDVBBBMQM-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC[NH2+]CC1 ZINC000262664122 298300003 /nfs/dbraw/zinc/30/00/03/298300003.db2.gz ILCGMCPMKGVECX-HZTRTUMWSA-N 2 0 307.482 2.144 10 0 DEAERP c1cc(-c2noc(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)cs1 ZINC000573001220 326010224 /nfs/dbraw/zinc/01/02/24/326010224.db2.gz HYIZLKAQYFPTMH-OAHLLOKOSA-N 2 0 304.419 2.374 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000398014377 337303934 /nfs/dbraw/zinc/30/39/34/337303934.db2.gz FMYOHQURMCMFFS-BPQIPLTHSA-N 2 0 315.461 2.155 10 0 DEAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000261773593 535151090 /nfs/dbraw/zinc/15/10/90/535151090.db2.gz WERNZVSKPDWORY-PVAVHDDUSA-N 2 0 307.482 2.238 10 0 DEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262325520 535213700 /nfs/dbraw/zinc/21/37/00/535213700.db2.gz DIQYNRGQNDYSEO-RDJZCZTQSA-N 2 0 309.498 2.345 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692738 536434247 /nfs/dbraw/zinc/43/42/47/536434247.db2.gz BBWCKLIVTRPCTP-RBUKOAKNSA-N 2 0 301.478 2.440 10 0 DEAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054971 622722868 /nfs/dbraw/zinc/72/28/68/622722868.db2.gz GDIZWUOLMYHNCO-LSDHHAIUSA-N 2 0 311.470 2.317 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000174011378 625682694 /nfs/dbraw/zinc/68/26/94/625682694.db2.gz ZDWHZPAQKSFWQI-NVXWUHKLSA-N 2 0 303.450 2.185 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261547803 635892431 /nfs/dbraw/zinc/89/24/31/635892431.db2.gz MTVIRHDNXHLMLW-DOTOQJQBSA-N 2 0 317.477 2.401 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261560371 635900223 /nfs/dbraw/zinc/90/02/23/635900223.db2.gz ZUGAVJCSOVIWDT-OIISXLGYSA-N 2 0 303.450 2.141 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000745701310 638284390 /nfs/dbraw/zinc/28/43/90/638284390.db2.gz ZEVORLGLCQWNTF-INIZCTEOSA-N 2 0 324.513 2.282 10 0 DEAERP C[NH+]1CCC(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000227615983 646603631 /nfs/dbraw/zinc/60/36/31/646603631.db2.gz YURZWNSPYLIDLJ-HNNXBMFYSA-N 2 0 311.470 2.175 10 0 DEAERP OC1(C[NH2+]C[C@H]2CCC=CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000397530000 790198222 /nfs/dbraw/zinc/19/82/22/790198222.db2.gz YYFHSCTYAUTMII-GOSISDBHSA-N 2 0 316.445 2.296 10 0 DEAERP C[C@@]1(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000720827944 1086179470 /nfs/dbraw/zinc/17/94/70/1086179470.db2.gz OCQJHIJYZJKNOS-XUVXKRRUSA-N 2 0 313.489 2.440 10 0 DEAERP C[C@H]1CCC[N@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000138087830 282098740 /nfs/dbraw/zinc/09/87/40/282098740.db2.gz IAJHRUYXICNWAF-GTPINHCMSA-N 2 0 324.513 2.138 10 0 DEAERP [NH3+]C[C@@]1(Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000087915085 185237257 /nfs/dbraw/zinc/23/72/57/185237257.db2.gz RBYNBEFMHJROJJ-AWEZNQCLSA-N 2 0 310.239 2.427 10 0 DEAERP C[N@@H+]1CCCC[C@H]1COc1ncc(Br)cc1C[NH3+] ZINC000088166023 185240816 /nfs/dbraw/zinc/24/08/16/185240816.db2.gz DFJUAEZNLSWTRJ-LBPRGKRZSA-N 2 0 314.227 2.166 10 0 DEAERP Brc1ccc2c(c1)CC[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000090320497 185290854 /nfs/dbraw/zinc/29/08/54/185290854.db2.gz JCZPGWQDDLHYIO-LZWOXQAQSA-N 2 0 321.262 2.458 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCOCC2 ZINC000186259243 282271285 /nfs/dbraw/zinc/27/12/85/282271285.db2.gz YONRAJSWRINDRM-ZWKOTPCHSA-N 2 0 322.493 2.425 10 0 DEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246499462 282447777 /nfs/dbraw/zinc/44/77/77/282447777.db2.gz RXNLWGIYTZKNME-KURKYZTESA-N 2 0 317.477 2.148 10 0 DEAERP COC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000272676301 210080811 /nfs/dbraw/zinc/08/08/11/210080811.db2.gz LTJKRSCRFXVORD-NJAFHUGGSA-N 2 0 306.450 2.148 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247130305 282478983 /nfs/dbraw/zinc/47/89/83/282478983.db2.gz SGIZSLSUVNUDBC-ARFHVFGLSA-N 2 0 312.502 2.135 10 0 DEAERP CC[C@H](C)[C@@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000159682708 186135317 /nfs/dbraw/zinc/13/53/17/186135317.db2.gz YXVITRKGXAHEEJ-GXSJLCMTSA-N 2 0 303.248 2.253 10 0 DEAERP Cc1nc(C)c(Br)c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000322792476 539903348 /nfs/dbraw/zinc/90/33/48/539903348.db2.gz AABCFISEJOACHT-LLVKDONJSA-N 2 0 311.227 2.140 10 0 DEAERP C[N@@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccccc1 ZINC000333523207 539962533 /nfs/dbraw/zinc/96/25/33/539962533.db2.gz GXEQXQMKQKFJQI-SJJHQCBESA-N 2 0 316.449 2.001 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000057792726 354580152 /nfs/dbraw/zinc/58/01/52/354580152.db2.gz INJHNAFOHUWBSH-MRXNPFEDSA-N 2 0 310.486 2.082 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382712635 540124052 /nfs/dbraw/zinc/12/40/52/540124052.db2.gz WKYCSJGGABMNQV-HKUYNNGSSA-N 2 0 315.461 2.109 10 0 DEAERP O=C1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC000390900721 540135827 /nfs/dbraw/zinc/13/58/27/540135827.db2.gz NRPRLYUQHPUKSM-OOKSDGMUSA-N 2 0 313.445 2.050 10 0 DEAERP C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C[N@H+](CCCOC)CCOC ZINC000079670232 191961377 /nfs/dbraw/zinc/96/13/77/191961377.db2.gz QGANCEPRWTYILD-CVEARBPZSA-N 2 0 300.487 2.386 10 0 DEAERP NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000152717254 283324963 /nfs/dbraw/zinc/32/49/63/283324963.db2.gz QRAGLSXMNSREHY-ZBFHGGJFSA-N 2 0 307.482 2.417 10 0 DEAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nccn1C ZINC000183037888 299282919 /nfs/dbraw/zinc/28/29/19/299282919.db2.gz RAFXZPZBGXNDJR-INIZCTEOSA-N 2 0 319.497 2.021 10 0 DEAERP Nc1[nH+]c2cc(Cl)ccc2n1C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091675131 193089551 /nfs/dbraw/zinc/08/95/51/193089551.db2.gz KTXQRDZPAFJYGW-VXGBXAGGSA-N 2 0 306.797 2.135 10 0 DEAERP c1n[nH]cc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000624215875 365337021 /nfs/dbraw/zinc/33/70/21/365337021.db2.gz IFBRSLVQECFOSI-UHFFFAOYSA-N 2 0 313.449 2.102 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC000262317491 203259016 /nfs/dbraw/zinc/25/90/16/203259016.db2.gz CFOJPVVKPJCDSW-SOUVJXGZSA-N 2 0 307.438 2.167 10 0 DEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@H]1c1ccc(Cl)c(F)c1 ZINC000093382451 193240651 /nfs/dbraw/zinc/24/06/51/193240651.db2.gz ZTMVZMJFUWHCDQ-AWEZNQCLSA-N 2 0 312.820 2.492 10 0 DEAERP C[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093618266 193275518 /nfs/dbraw/zinc/27/55/18/193275518.db2.gz MKIAEGIBVPIBAY-RDBSUJKOSA-N 2 0 308.388 2.401 10 0 DEAERP CC(C)[N@@H+](CC(=O)NCc1cccs1)CC1CC[NH2+]CC1 ZINC000094025846 193340135 /nfs/dbraw/zinc/34/01/35/193340135.db2.gz RCTUMXCZKYACHE-UHFFFAOYSA-N 2 0 309.479 2.074 10 0 DEAERP C[NH2+][C@@H]1CCCc2sc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc21 ZINC000094444124 193369686 /nfs/dbraw/zinc/36/96/86/193369686.db2.gz CNVJAGCOBRBETR-CHWSQXEVSA-N 2 0 306.479 2.414 10 0 DEAERP [NH3+]C[C@H](c1ccccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457327 193371688 /nfs/dbraw/zinc/37/16/88/193371688.db2.gz SSQHDNKLLDPONK-IUODEOHRSA-N 2 0 324.266 2.229 10 0 DEAERP CC1(C)CCSC[C@@]1(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000094484259 193372429 /nfs/dbraw/zinc/37/24/29/193372429.db2.gz USBIVQNAXOLAAT-QGZVFWFLSA-N 2 0 311.539 2.407 10 0 DEAERP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000458454310 248317548 /nfs/dbraw/zinc/31/75/48/248317548.db2.gz JVHBNFGGOCKEQB-MRXNPFEDSA-N 2 0 324.513 2.234 10 0 DEAERP Cc1ncsc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770312 183131505 /nfs/dbraw/zinc/13/15/05/183131505.db2.gz KSEFQWBHEPOVOD-UKRRQHHQSA-N 2 0 310.511 2.374 10 0 DEAERP CC[NH+](CC)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000043004582 183326961 /nfs/dbraw/zinc/32/69/61/183326961.db2.gz WWAPIGDKPOYNKV-QGZVFWFLSA-N 2 0 320.481 2.320 10 0 DEAERP CCC[N@@H+]1CCc2nc([C@@H](CC)N3CC[NH2+]CC3)sc2C1 ZINC000109472409 194267548 /nfs/dbraw/zinc/26/75/48/194267548.db2.gz SAHADEJZSVDELV-CQSZACIVSA-N 2 0 308.495 2.268 10 0 DEAERP CN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000062709421 184248720 /nfs/dbraw/zinc/24/87/20/184248720.db2.gz PUJNUKLEXZLWAQ-AWEZNQCLSA-N 2 0 301.356 2.130 10 0 DEAERP Cc1cc(N2CCC(C[NH+](C)C)CC2)c(C(N)=S)c(C)[nH+]1 ZINC000156650663 197129949 /nfs/dbraw/zinc/12/99/49/197129949.db2.gz ZKDQXFSYSLBFEV-UHFFFAOYSA-N 2 0 306.479 2.111 10 0 DEAERP c1cc(C[NH+]2CCO[C@H]3C[N@H+](CC4CC4)CC[C@H]3C2)ccn1 ZINC000253591212 257105525 /nfs/dbraw/zinc/10/55/25/257105525.db2.gz KSIYJAMICDLLAW-ROUUACIJSA-N 2 0 301.434 2.014 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000234793661 132554348 /nfs/dbraw/zinc/55/43/48/132554348.db2.gz DBWJMSNDOVKONV-LBPRGKRZSA-N 2 0 319.218 2.432 10 0 DEAERP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)O2 ZINC000262359902 285521771 /nfs/dbraw/zinc/52/17/71/285521771.db2.gz WHRUQDQAKHLSFZ-ZJIFWQFVSA-N 2 0 302.418 2.337 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000358182428 133126719 /nfs/dbraw/zinc/12/67/19/133126719.db2.gz DCKPNAZGJGRUEI-IAGOWNOFSA-N 2 0 322.497 2.058 10 0 DEAERP COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(CC[NH2+]C(C)C)C1 ZINC000193476491 145086344 /nfs/dbraw/zinc/08/63/44/145086344.db2.gz CSPWRQUPJPKAEX-SJORKVTESA-N 2 0 304.434 2.263 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000247158245 145127503 /nfs/dbraw/zinc/12/75/03/145127503.db2.gz KHKNTPSEUBRADF-HOTGVXAUSA-N 2 0 312.502 2.280 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247473932 145138519 /nfs/dbraw/zinc/13/85/19/145138519.db2.gz HPXYSNKMMVOSFJ-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP CN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261558160 145208187 /nfs/dbraw/zinc/20/81/87/145208187.db2.gz XXYPNSHWEMAJJE-GOSISDBHSA-N 2 0 315.461 2.109 10 0 DEAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2c1NCC2 ZINC000261787641 145226813 /nfs/dbraw/zinc/22/68/13/145226813.db2.gz FYZMFDCLBNZBAJ-KZNAEPCWSA-N 2 0 315.461 2.338 10 0 DEAERP O=C(CN(Cc1ccccc1)Cc1ccccc1)NCC1C[NH2+]C1 ZINC000262023600 145253598 /nfs/dbraw/zinc/25/35/98/145253598.db2.gz MTROUQKMEYGFJL-UHFFFAOYSA-N 2 0 323.440 2.024 10 0 DEAERP C[C@]1(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000262072612 145259120 /nfs/dbraw/zinc/25/91/20/145259120.db2.gz SEKKRIXKIPUTTA-SFHVURJKSA-N 2 0 319.424 2.476 10 0 DEAERP C[C@H](CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262302741 145274753 /nfs/dbraw/zinc/27/47/53/145274753.db2.gz OUHPVESLCCDOHI-VQHPVUNQSA-N 2 0 307.482 2.097 10 0 DEAERP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)O2 ZINC000262359899 145278376 /nfs/dbraw/zinc/27/83/76/145278376.db2.gz WHRUQDQAKHLSFZ-CAOSSQGBSA-N 2 0 302.418 2.337 10 0 DEAERP C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]C1 ZINC000262365586 145279341 /nfs/dbraw/zinc/27/93/41/145279341.db2.gz WWBYJEGWQLXUCW-ZSNVMCELSA-N 2 0 307.482 2.144 10 0 DEAERP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309711982 145351182 /nfs/dbraw/zinc/35/11/82/145351182.db2.gz JPUHYTYEZTXYNY-IAGOWNOFSA-N 2 0 303.450 2.142 10 0 DEAERP C[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000127233588 401725188 /nfs/dbraw/zinc/72/51/88/401725188.db2.gz CVLGDDRNJCOWBO-AEFFLSMTSA-N 2 0 321.509 2.347 10 0 DEAERP C[C@@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000127233326 401725366 /nfs/dbraw/zinc/72/53/66/401725366.db2.gz CVLGDDRNJCOWBO-WMZOPIPTSA-N 2 0 321.509 2.347 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000137209122 401980910 /nfs/dbraw/zinc/98/09/10/401980910.db2.gz ZVYZJGCEZDIIIH-INIZCTEOSA-N 2 0 322.497 2.131 10 0 DEAERP NC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971879 401991436 /nfs/dbraw/zinc/99/14/36/401991436.db2.gz SEPDLBOTQAJELA-UHFFFAOYSA-N 2 0 301.434 2.093 10 0 DEAERP CC[C@@H](C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)[NH+](C)C ZINC000125366453 402227830 /nfs/dbraw/zinc/22/78/30/402227830.db2.gz VOQDMVIAMOGQHU-BBRMVZONSA-N 2 0 300.406 2.390 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000184831306 402302467 /nfs/dbraw/zinc/30/24/67/402302467.db2.gz FXDSUPIYMWPZNQ-HZPDHXFCSA-N 2 0 312.502 2.280 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)s1 ZINC000234729855 402360739 /nfs/dbraw/zinc/36/07/39/402360739.db2.gz BFCMCBDQYVGGJG-SECBINFHSA-N 2 0 307.257 2.354 10 0 DEAERP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000186989220 402476553 /nfs/dbraw/zinc/47/65/53/402476553.db2.gz WCOZUOMPVKDENT-KRWDZBQOSA-N 2 0 317.477 2.102 10 0 DEAERP COC[C@H](C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000187187580 402487165 /nfs/dbraw/zinc/48/71/65/402487165.db2.gz ZMPFZMMNXLHLHG-GOSISDBHSA-N 2 0 319.493 2.019 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246162070 402513733 /nfs/dbraw/zinc/51/37/33/402513733.db2.gz FAOODDOUAIZTAW-HUUCEWRRSA-N 2 0 312.502 2.088 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247404605 402566211 /nfs/dbraw/zinc/56/62/11/402566211.db2.gz IDLKGGOLPMKPMP-WZYMTQMTSA-N 2 0 310.486 2.031 10 0 DEAERP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246352303 402526571 /nfs/dbraw/zinc/52/65/71/402526571.db2.gz PFFSDSFDNVSXSV-KFWWJZLASA-N 2 0 312.502 2.087 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000246606327 402538129 /nfs/dbraw/zinc/53/81/29/402538129.db2.gz QZMBZRNJGQCRPE-BBWFWOEESA-N 2 0 307.482 2.336 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000173889223 402717752 /nfs/dbraw/zinc/71/77/52/402717752.db2.gz KBRMEWVKZDRGOZ-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP COc1cccc2c1CC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C2 ZINC000192439378 402728748 /nfs/dbraw/zinc/72/87/48/402728748.db2.gz IBDARMKSPCWJAC-QGZVFWFLSA-N 2 0 318.461 2.255 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000192760498 402748465 /nfs/dbraw/zinc/74/84/65/402748465.db2.gz YFOBZLHGKDMQHP-MOPGFXCFSA-N 2 0 323.525 2.030 10 0 DEAERP CC1CC[NH+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183515944 402773399 /nfs/dbraw/zinc/77/33/99/402773399.db2.gz DYBFEHNZTWNUMK-UHFFFAOYSA-N 2 0 318.465 2.390 10 0 DEAERP C([C@@H]1CCOC1)[NH+]1CCCC2(CCC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000351998708 404066393 /nfs/dbraw/zinc/06/63/93/404066393.db2.gz XVOUXMJZMARCPG-ADUPEVMXSA-N 2 0 322.493 2.237 10 0 DEAERP COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368585910 405244804 /nfs/dbraw/zinc/24/48/04/405244804.db2.gz UYVSGMCMXDWTEQ-NJAFHUGGSA-N 2 0 316.445 2.249 10 0 DEAERP C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000634768386 406274443 /nfs/dbraw/zinc/27/44/43/406274443.db2.gz IDJCYGAHLYECRP-AYBZRNKSSA-N 2 0 315.461 2.013 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000635003143 406395225 /nfs/dbraw/zinc/39/52/25/406395225.db2.gz GPSUJFPVFLFZPV-NEWSRXKRSA-N 3 0 319.493 2.098 10 0 DEAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000635003091 406396153 /nfs/dbraw/zinc/39/61/53/406396153.db2.gz FTZNFNWKZVSGFV-NEPXVJNWSA-N 2 0 301.478 2.342 10 0 DEAERP C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000525291531 406482723 /nfs/dbraw/zinc/48/27/23/406482723.db2.gz KPEYAJHFLNAAPZ-MRXNPFEDSA-N 2 0 315.461 2.354 10 0 DEAERP CC[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000638114781 406577479 /nfs/dbraw/zinc/57/74/79/406577479.db2.gz YHPJCENNYPGVAH-MIGBEJBISA-N 2 0 315.461 2.296 10 0 DEAERP C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000129625808 196063550 /nfs/dbraw/zinc/06/35/50/196063550.db2.gz KBROYHBRBMXIIY-KLAILNCOSA-N 2 0 309.498 2.488 10 0 DEAERP CCSc1cccc(N(C)C[C@@H]2CC[N@H+](C)C2)c1C(N)=[NH2+] ZINC000136953173 196558675 /nfs/dbraw/zinc/55/86/75/196558675.db2.gz KKKQRBNBIUTBRO-GFCCVEGCSA-N 2 0 306.479 2.471 10 0 DEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261962795 287345192 /nfs/dbraw/zinc/34/51/92/287345192.db2.gz PSBSHNKOCUNRSM-TVFCKZIOSA-N 2 0 323.525 2.244 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000194937205 268562028 /nfs/dbraw/zinc/56/20/28/268562028.db2.gz SIULZTDYKIHIOA-UHFFFAOYSA-N 2 0 324.513 2.280 10 0 DEAERP c1ccc(C[N@@H+]2CCCO[C@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619069 269098255 /nfs/dbraw/zinc/09/82/55/269098255.db2.gz YZNGCNAMQAKGEA-RBUKOAKNSA-N 2 0 317.477 2.009 10 0 DEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000397688507 269106764 /nfs/dbraw/zinc/10/67/64/269106764.db2.gz OYHNDDMIPQSXKX-AEFFLSMTSA-N 2 0 318.461 2.028 10 0 DEAERP c1nc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814008 275075668 /nfs/dbraw/zinc/07/56/68/275075668.db2.gz PZKSCXJVZZNGEA-CVEARBPZSA-N 2 0 302.466 2.398 10 0 DEAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)C1 ZINC000249032409 276014019 /nfs/dbraw/zinc/01/40/19/276014019.db2.gz STNRJEWECLGBEN-IKGGRYGDSA-N 2 0 310.482 2.282 10 0 DEAERP CCC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000179338707 276282642 /nfs/dbraw/zinc/28/26/42/276282642.db2.gz XZKPBOPYTUYKHC-GVDBMIGSSA-N 2 0 303.450 2.278 10 0 DEAERP CC(=O)[C@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000450494471 277100434 /nfs/dbraw/zinc/10/04/34/277100434.db2.gz MAQOLAFSNRQDSE-MAUKXSAKSA-N 2 0 310.482 2.303 10 0 DEAERP C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000262370273 300396406 /nfs/dbraw/zinc/39/64/06/300396406.db2.gz LQHOBHMXPKJDLR-GJZGRUSLSA-N 2 0 321.440 2.104 10 0 DEAERP c1ccc(OCCOCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000573445035 326058273 /nfs/dbraw/zinc/05/82/73/326058273.db2.gz NCWHIWBTOPHPSY-GOSISDBHSA-N 2 0 304.434 2.158 10 0 DEAERP CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000157340870 523784773 /nfs/dbraw/zinc/78/47/73/523784773.db2.gz BGZGGPVAGSCPBW-QGZVFWFLSA-N 2 0 303.450 2.239 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000246245530 525432176 /nfs/dbraw/zinc/43/21/76/525432176.db2.gz JHXVMGJPGKAEQX-SPUZQDLCSA-N 2 0 315.461 2.283 10 0 DEAERP Cc1cc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000382913663 685406337 /nfs/dbraw/zinc/40/63/37/685406337.db2.gz IRAPGQZTNFPMEO-OAHLLOKOSA-N 2 0 311.433 2.298 10 0 DEAERP C[S@@](=O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681750 793001316 /nfs/dbraw/zinc/00/13/16/793001316.db2.gz ZACDEFDZIVPLNM-VDNWNZSNSA-N 2 0 320.502 2.398 10 0 DEAERP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734582 793005541 /nfs/dbraw/zinc/00/55/41/793005541.db2.gz WEPXOBXBVZCEEM-OWLYRPNTSA-N 2 0 315.461 2.154 10 0 DEAERP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300057506 799434845 /nfs/dbraw/zinc/43/48/45/799434845.db2.gz QAHPQGHZOQOQGZ-HUUCEWRRSA-N 2 0 311.470 2.317 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401747425 801849079 /nfs/dbraw/zinc/84/90/79/801849079.db2.gz LDHKSNOITOODCU-ZBFHGGJFSA-N 2 0 323.481 2.483 10 0 DEAERP C[NH+](C)CCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405273701 802047566 /nfs/dbraw/zinc/04/75/66/802047566.db2.gz TWCHOQZRZCHQAS-UONOGXRCSA-N 2 0 311.470 2.364 10 0 DEAERP C[NH+](C)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405273699 802047610 /nfs/dbraw/zinc/04/76/10/802047610.db2.gz TWCHOQZRZCHQAS-KBPBESRZSA-N 2 0 311.470 2.364 10 0 DEAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000176609728 282191450 /nfs/dbraw/zinc/19/14/50/282191450.db2.gz ANDVXPFFNXGVDN-DOTOQJQBSA-N 2 0 322.497 2.129 10 0 DEAERP C[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)CCC(F)(F)F ZINC000088434651 185249923 /nfs/dbraw/zinc/24/99/23/185249923.db2.gz YSOKBXJDGZVZTG-CYBMUJFWSA-N 2 0 309.376 2.037 10 0 DEAERP CC[NH2+][C@H]1CCC2(C[C@@H]1SCC[NH+](CC)CC)OCCO2 ZINC000088735835 185263527 /nfs/dbraw/zinc/26/35/27/185263527.db2.gz RAMJNXNABOFJLA-GJZGRUSLSA-N 2 0 316.511 2.335 10 0 DEAERP Brc1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000090320498 185290841 /nfs/dbraw/zinc/29/08/41/185290841.db2.gz JCZPGWQDDLHYIO-IJEWVQPXSA-N 2 0 321.262 2.458 10 0 DEAERP COc1ccc(Cl)c2c1CN(C1CC[NH+](C)CC1)[C@H]2C[NH3+] ZINC000071684018 191008192 /nfs/dbraw/zinc/00/81/92/191008192.db2.gz UMHMINMSTDHPSI-AWEZNQCLSA-N 2 0 309.841 2.258 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(CC)CC ZINC000245944348 539759433 /nfs/dbraw/zinc/75/94/33/539759433.db2.gz VMUMHJQIUIPDJJ-IXDOHACOSA-N 2 0 312.498 2.407 10 0 DEAERP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000143850620 186034228 /nfs/dbraw/zinc/03/42/28/186034228.db2.gz FWXWMJXSIOFLRD-UHFFFAOYSA-N 2 0 316.449 2.450 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323589660 539906427 /nfs/dbraw/zinc/90/64/27/539906427.db2.gz FVBAGPSMCUBEAZ-ROUUACIJSA-N 2 0 315.461 2.096 10 0 DEAERP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000398065387 540140361 /nfs/dbraw/zinc/14/03/61/540140361.db2.gz HLLNVASRKYBADY-GOEBONIOSA-N 2 0 301.434 2.037 10 0 DEAERP C[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000169782034 355982549 /nfs/dbraw/zinc/98/25/49/355982549.db2.gz YLOKOCXQOHZESN-OAHLLOKOSA-N 2 0 308.853 2.476 10 0 DEAERP C[N@H+](CCCNC(=O)C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000309563927 356410249 /nfs/dbraw/zinc/41/02/49/356410249.db2.gz UNSSVCGFHOFOFQ-UHFFFAOYSA-N 2 0 303.450 2.142 10 0 DEAERP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)[C@H]2C1 ZINC000623526712 365063089 /nfs/dbraw/zinc/06/30/89/365063089.db2.gz OTLFHEKGNQCSNP-YVSFHVDLSA-N 2 0 307.482 2.096 10 0 DEAERP O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)NC1CCCCC1 ZINC000624483803 365438907 /nfs/dbraw/zinc/43/89/07/365438907.db2.gz IJTLAXGOMRYZNF-OAHLLOKOSA-N 2 0 316.449 2.264 10 0 DEAERP CC(C)[NH2+]Cc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000092003648 193139510 /nfs/dbraw/zinc/13/95/10/193139510.db2.gz BOFIKTFKKJGGOI-CABCVRRESA-N 2 0 308.495 2.310 10 0 DEAERP c1cc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc2c1OCO2 ZINC000631886509 368441045 /nfs/dbraw/zinc/44/10/45/368441045.db2.gz IGUBFAAKIQMPJT-GOEBONIOSA-N 2 0 318.417 2.258 10 0 DEAERP COCC[NH2+]C[C@]1(C[N@H+](C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982815 193191644 /nfs/dbraw/zinc/19/16/44/193191644.db2.gz NUFUXCGOXWORCI-WBVHZDCISA-N 2 0 300.487 2.122 10 0 DEAERP Cc1cc(C)n2c(C[N@H+](C)CC3CC[NH+](C)CC3)cnc2n1 ZINC000093088947 193201938 /nfs/dbraw/zinc/20/19/38/193201938.db2.gz QQDNFHCVVIWLHP-UHFFFAOYSA-N 2 0 301.438 2.120 10 0 DEAERP C[NH2+][C@H]1[C@H](C[N@H+](CCCOC)CCOC)CCCC1(C)C ZINC000094287543 193356204 /nfs/dbraw/zinc/35/62/04/193356204.db2.gz KRGSOASSEZVGPR-HOTGVXAUSA-N 2 0 300.487 2.386 10 0 DEAERP CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2C[NH3+])CC[N@@H+]1C ZINC000094334301 193360559 /nfs/dbraw/zinc/36/05/59/193360559.db2.gz VZOPEUBIPDCGRL-LLVKDONJSA-N 2 0 302.344 2.090 10 0 DEAERP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384689 193367719 /nfs/dbraw/zinc/36/77/19/193367719.db2.gz PXKVFXYKYOSCFZ-RBSFLKMASA-N 2 0 310.507 2.361 10 0 DEAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475267 182221399 /nfs/dbraw/zinc/22/13/99/182221399.db2.gz WLDBDLJSBUWYRO-NSHDSACASA-N 2 0 318.284 2.148 10 0 DEAERP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042951827 183321054 /nfs/dbraw/zinc/32/10/54/183321054.db2.gz OKEHUKYXJSQSLG-SMDDNHRTSA-N 2 0 312.255 2.085 10 0 DEAERP C[NH+]1CCN(CC[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000053937637 183917362 /nfs/dbraw/zinc/91/73/62/183917362.db2.gz ZGIDAWDADAGZLO-CQSZACIVSA-N 2 0 312.255 2.086 10 0 DEAERP COC[C@@H](O)C[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCCCC1 ZINC000060355456 184146821 /nfs/dbraw/zinc/14/68/21/184146821.db2.gz CIBVWZCHPCYKFP-HNNXBMFYSA-N 2 0 300.487 2.264 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000157743408 197211540 /nfs/dbraw/zinc/21/15/40/197211540.db2.gz ZDTRDMLPJZWEFG-OAHLLOKOSA-N 2 0 312.502 2.138 10 0 DEAERP CC[C@@H](CSC)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000124956179 195697846 /nfs/dbraw/zinc/69/78/46/195697846.db2.gz YOONBQNIYDMVLN-AWEZNQCLSA-N 2 0 313.515 2.240 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2c3ccccc3NC2=O)[C@@H](C)C1 ZINC000246394837 145101653 /nfs/dbraw/zinc/10/16/53/145101653.db2.gz LDVCUEWDZCICMF-BPUTZDHNSA-N 2 0 301.434 2.432 10 0 DEAERP C[C@@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCCCC1 ZINC000248489743 145156660 /nfs/dbraw/zinc/15/66/60/145156660.db2.gz NDQOWBKCVSXMAH-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000261613057 145210451 /nfs/dbraw/zinc/21/04/51/145210451.db2.gz GCNOAGNWRSMKIS-WGGIPJPDSA-N 2 0 307.482 2.306 10 0 DEAERP CC1(C)C[N@H+](CCC(=O)N2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000261678495 145216194 /nfs/dbraw/zinc/21/61/94/145216194.db2.gz GUVOXGPJAAZDPF-MRXNPFEDSA-N 2 0 301.434 2.025 10 0 DEAERP C[C@@]1(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)CC[NH2+]C1 ZINC000261778743 145225978 /nfs/dbraw/zinc/22/59/78/145225978.db2.gz NPUPOHMLKDPODT-GOSISDBHSA-N 2 0 317.433 2.042 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C[NH+]1CCCCC1 ZINC000261834483 145232115 /nfs/dbraw/zinc/23/21/15/145232115.db2.gz BXXDHTGMSRPOFX-NCOADZHNSA-N 2 0 307.482 2.145 10 0 DEAERP C[C@@H]1CCC[C@H](NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000261859921 145234314 /nfs/dbraw/zinc/23/43/14/145234314.db2.gz FPPWTLOOLQMPMP-DRNSISSVSA-N 2 0 307.482 2.142 10 0 DEAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C[C@H]1c1ccccc1 ZINC000261876021 145236150 /nfs/dbraw/zinc/23/61/50/145236150.db2.gz XXBQCARKGNSRMK-XLAORIBOSA-N 2 0 315.461 2.237 10 0 DEAERP CCCN(CC(=O)Nc1ccccc1OC)C[C@@]1(C)CC[NH2+]C1 ZINC000261892518 145238573 /nfs/dbraw/zinc/23/85/73/145238573.db2.gz UEHJZGXZNBFPKH-SFHVURJKSA-N 2 0 319.449 2.345 10 0 DEAERP CCN(CC)C(=O)CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261914127 145240963 /nfs/dbraw/zinc/24/09/63/145240963.db2.gz YYLNSTWBPVCEQZ-GOSISDBHSA-N 2 0 309.498 2.347 10 0 DEAERP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)s2)cc1 ZINC000262074419 145259409 /nfs/dbraw/zinc/25/94/09/145259409.db2.gz DAMQOICITRTTOW-HOCLYGCPSA-N 2 0 302.443 2.393 10 0 DEAERP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)nc1 ZINC000262146684 145266135 /nfs/dbraw/zinc/26/61/35/145266135.db2.gz ZPBUTRLPPVOUSN-QAPCUYQASA-N 2 0 316.449 2.040 10 0 DEAERP COC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000358430351 147132800 /nfs/dbraw/zinc/13/28/00/147132800.db2.gz GYYUHHBOABTXMX-XVLXNVKGSA-N 2 0 318.461 2.433 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000111847455 401725969 /nfs/dbraw/zinc/72/59/69/401725969.db2.gz GAMXSGDPFQQLFQ-KRWDZBQOSA-N 2 0 324.513 2.282 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000112881636 401760546 /nfs/dbraw/zinc/76/05/46/401760546.db2.gz FUVZWEQIFNOUGK-ROUUACIJSA-N 2 0 319.493 2.252 10 0 DEAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000119180079 401931642 /nfs/dbraw/zinc/93/16/42/401931642.db2.gz NEZSLQLMLJABJV-LJQANCHMSA-N 2 0 323.525 2.294 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119600395 401961533 /nfs/dbraw/zinc/96/15/33/401961533.db2.gz FAOODDOUAIZTAW-LSDHHAIUSA-N 2 0 312.502 2.088 10 0 DEAERP C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000123244934 402117608 /nfs/dbraw/zinc/11/76/08/402117608.db2.gz YYUSDMJJOANNJV-WMLDXEAASA-N 2 0 303.450 2.303 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000123608606 402137684 /nfs/dbraw/zinc/13/76/84/402137684.db2.gz ABARQJLBKWJTRM-DOTOQJQBSA-N 2 0 324.513 2.136 10 0 DEAERP CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000154878108 402236959 /nfs/dbraw/zinc/23/69/59/402236959.db2.gz CRTALKUFTSYMPK-WBVHZDCISA-N 2 0 305.466 2.353 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000184831287 402302453 /nfs/dbraw/zinc/30/24/53/402302453.db2.gz FXDSUPIYMWPZNQ-CVEARBPZSA-N 2 0 312.502 2.280 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000158332251 402304363 /nfs/dbraw/zinc/30/43/63/402304363.db2.gz RCEDYLCIHRZSPW-ZBFHGGJFSA-N 2 0 324.513 2.277 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000176971184 402355471 /nfs/dbraw/zinc/35/54/71/402355471.db2.gz JBWAIKJSYXCXRX-QGZVFWFLSA-N 2 0 303.450 2.305 10 0 DEAERP [NH3+][C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237834849 402422783 /nfs/dbraw/zinc/42/27/83/402422783.db2.gz KBTWGXGRHFWBIN-GOSISDBHSA-N 2 0 315.461 2.411 10 0 DEAERP C[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)[C@H]([NH3+])c1ccccc1 ZINC000186506744 402437560 /nfs/dbraw/zinc/43/75/60/402437560.db2.gz POSBJYAAOPIRNN-QRTARXTBSA-N 2 0 301.434 2.066 10 0 DEAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(C)cc1 ZINC000177325399 402391572 /nfs/dbraw/zinc/39/15/72/402391572.db2.gz WLMOZIJZODWMBC-SQNIBIBYSA-N 2 0 318.461 2.293 10 0 DEAERP Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1nccs1 ZINC000245952359 402500005 /nfs/dbraw/zinc/50/00/05/402500005.db2.gz PNYOZPBOEDZGAN-YPMHNXCESA-N 2 0 319.434 2.140 10 0 DEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000245965694 402500619 /nfs/dbraw/zinc/50/06/19/402500619.db2.gz DOVRFYNOYUFVER-BBWFWOEESA-N 2 0 324.513 2.090 10 0 DEAERP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000246988327 402552249 /nfs/dbraw/zinc/55/22/49/402552249.db2.gz GLXZCJPVNLARBO-BRWVUGGUSA-N 2 0 324.513 2.136 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000246191171 402517362 /nfs/dbraw/zinc/51/73/62/402517362.db2.gz MKUKQTHRXAMIHE-WBVHZDCISA-N 2 0 322.497 2.129 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000246606334 402537949 /nfs/dbraw/zinc/53/79/49/402537949.db2.gz QZMBZRNJGQCRPE-GVDBMIGSSA-N 2 0 307.482 2.336 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2F)CC1 ZINC000171589063 402598538 /nfs/dbraw/zinc/59/85/38/402598538.db2.gz YYWQQIQDCJMRMH-ZDUSSCGKSA-N 2 0 312.404 2.489 10 0 DEAERP CCC[C@@H](C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000180089862 402606941 /nfs/dbraw/zinc/60/69/41/402606941.db2.gz WQMJBMTYURUQPX-QZTJIDSGSA-N 2 0 311.514 2.149 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000171865611 402629822 /nfs/dbraw/zinc/62/98/22/402629822.db2.gz DKDKSSCQDFJUDL-QAPCUYQASA-N 2 0 315.461 2.034 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000249762904 402641121 /nfs/dbraw/zinc/64/11/21/402641121.db2.gz YSIBQJRRQRJERC-HZPDHXFCSA-N 2 0 324.513 2.280 10 0 DEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250145300 402645596 /nfs/dbraw/zinc/64/55/96/402645596.db2.gz ZSBNUIDLZVMNGN-NJAFHUGGSA-N 2 0 315.461 2.013 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000192768935 402748815 /nfs/dbraw/zinc/74/88/15/402748815.db2.gz SJLCEJDHRXWHAP-SFHVURJKSA-N 2 0 319.497 2.353 10 0 DEAERP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1nccs1 ZINC000192777985 402749529 /nfs/dbraw/zinc/74/95/29/402749529.db2.gz RIMPAZXQIJSUJP-UHFFFAOYSA-N 2 0 324.538 2.424 10 0 DEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183434215 402766919 /nfs/dbraw/zinc/76/69/19/402766919.db2.gz PETRJPGDMDEYHD-CQSZACIVSA-N 2 0 306.454 2.388 10 0 DEAERP CN(C)c1ccncc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000183854492 402801821 /nfs/dbraw/zinc/80/18/21/402801821.db2.gz WMFWMYLSLAIQOG-UHFFFAOYSA-N 2 0 316.449 2.284 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728591 402827122 /nfs/dbraw/zinc/82/71/22/402827122.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 2 0 313.449 2.429 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309768048 403963160 /nfs/dbraw/zinc/96/31/60/403963160.db2.gz ZYBXZFIHHHIHIJ-MSOLQXFVSA-N 2 0 315.461 2.014 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323788783 404094653 /nfs/dbraw/zinc/09/46/53/404094653.db2.gz GBPZCGNWYFVSPV-SFHVURJKSA-N 2 0 315.461 2.111 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396358782 405057276 /nfs/dbraw/zinc/05/72/76/405057276.db2.gz IDOATYQVOPAMJR-WBVHZDCISA-N 2 0 303.450 2.093 10 0 DEAERP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000127569646 292352465 /nfs/dbraw/zinc/35/24/65/292352465.db2.gz LXMKVERBZODOBD-WMZOPIPTSA-N 2 0 317.477 2.434 10 0 DEAERP [NH3+]C1(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000638850771 405713653 /nfs/dbraw/zinc/71/36/53/405713653.db2.gz HHXOJWKCTGTNPT-KRWDZBQOSA-N 2 0 315.461 2.429 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638111671 406574975 /nfs/dbraw/zinc/57/49/75/406574975.db2.gz PENDMGSAMUNQHE-WMZOPIPTSA-N 2 0 313.445 2.014 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638119769 406581063 /nfs/dbraw/zinc/58/10/63/406581063.db2.gz VTAQFYFIKLUILD-FHLIZLRMSA-N 2 0 313.445 2.061 10 0 DEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000130519051 196086069 /nfs/dbraw/zinc/08/60/69/196086069.db2.gz FYGHOEIHJHURRL-VXGBXAGGSA-N 2 0 311.392 2.154 10 0 DEAERP [NH3+]C1CC[NH+]([C@@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000130647794 196098627 /nfs/dbraw/zinc/09/86/27/196098627.db2.gz NGIPVXRYSSXEDV-CQSZACIVSA-N 2 0 311.832 2.477 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303208612 424892709 /nfs/dbraw/zinc/89/27/09/424892709.db2.gz XQQUKJDWEHMDID-KSZLIROESA-N 2 0 315.461 2.142 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303208615 424892760 /nfs/dbraw/zinc/89/27/60/424892760.db2.gz XQQUKJDWEHMDID-RCCFBDPRSA-N 2 0 315.461 2.142 10 0 DEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000333902913 269002701 /nfs/dbraw/zinc/00/27/01/269002701.db2.gz JCLNSHVNDXEENV-IHRRRGAJSA-N 2 0 322.478 2.016 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333907048 269003730 /nfs/dbraw/zinc/00/37/30/269003730.db2.gz CZJFXFGGGALMBH-XHSDSOJGSA-N 2 0 324.513 2.184 10 0 DEAERP c1ccc(CNC2=[NH+]c3ncccc3N[C@@]23CCC[NH2+]C3)cc1 ZINC000065265723 275067106 /nfs/dbraw/zinc/06/71/06/275067106.db2.gz NPLGOLBLSOTGDS-GOSISDBHSA-N 2 0 307.401 2.449 10 0 DEAERP C(C[NH+]1CCC[C@@H]2COCC[C@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000343703232 275391837 /nfs/dbraw/zinc/39/18/37/275391837.db2.gz GLJQHRCFRKYCHN-MKXGPGLRSA-N 2 0 322.493 2.378 10 0 DEAERP C(C[NH+]1CCC[C@H]2COCC[C@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000343703236 275392129 /nfs/dbraw/zinc/39/21/29/275392129.db2.gz GLJQHRCFRKYCHN-SEXKYXSUSA-N 2 0 322.493 2.378 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236790375 277385597 /nfs/dbraw/zinc/38/55/97/277385597.db2.gz URVVEPZNDXXVJS-XIRDDKMYSA-N 2 0 307.482 2.144 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246563116 279125741 /nfs/dbraw/zinc/12/57/41/279125741.db2.gz BKWAJRGGNLISKM-BBWFWOEESA-N 2 0 324.513 2.088 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000176249553 279298221 /nfs/dbraw/zinc/29/82/21/279298221.db2.gz XLEDEDHAVDVVMZ-IAGOWNOFSA-N 2 0 324.513 2.234 10 0 DEAERP CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388498862 333316938 /nfs/dbraw/zinc/31/69/38/333316938.db2.gz NMZZKNZJWHAGJY-HKUYNNGSSA-N 2 0 315.461 2.252 10 0 DEAERP CC(C)CCOCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915420 519665297 /nfs/dbraw/zinc/66/52/97/519665297.db2.gz FAPWEAUKXOAGQA-INIZCTEOSA-N 2 0 300.487 2.074 10 0 DEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000249877662 524531701 /nfs/dbraw/zinc/53/17/01/524531701.db2.gz HDPKCJIKGKIFGU-KBAYOESNSA-N 2 0 315.461 2.155 10 0 DEAERP CCCCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195216787 528626360 /nfs/dbraw/zinc/62/63/60/528626360.db2.gz NSSZJYTYKRQZCS-JFIYKMOQSA-N 2 0 312.498 2.407 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000358300022 535527026 /nfs/dbraw/zinc/52/70/26/535527026.db2.gz NFXJECUFCKCNFP-RKVPGOIHSA-N 2 0 322.497 2.376 10 0 DEAERP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000232500655 635930535 /nfs/dbraw/zinc/93/05/35/635930535.db2.gz QAKCTPJXOUDRGP-GOEBONIOSA-N 2 0 323.481 2.460 10 0 DEAERP C[NH+]1CCC(C[NH2+]Cc2ncc(Br)s2)CC1 ZINC000381294362 685400900 /nfs/dbraw/zinc/40/09/00/685400900.db2.gz FTMVCGIDCQWCQA-UHFFFAOYSA-N 2 0 304.257 2.337 10 0 DEAERP Nc1cnc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000383747718 685408537 /nfs/dbraw/zinc/40/85/37/685408537.db2.gz JJAGYIJDRZFQNW-DLBZAZTESA-N 2 0 323.444 2.013 10 0 DEAERP Cc1cc(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(N)[nH+]1 ZINC000398134334 790248784 /nfs/dbraw/zinc/24/87/84/790248784.db2.gz UKGYQVLPGOLXIT-INIZCTEOSA-N 2 0 313.449 2.188 10 0 DEAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000713005414 792211623 /nfs/dbraw/zinc/21/16/23/792211623.db2.gz UAXYWJYZMXDZCX-DLBZAZTESA-N 2 0 317.477 2.387 10 0 DEAERP c1cnn(-c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2)c1 ZINC000078455282 1080616621 /nfs/dbraw/zinc/61/66/21/1080616621.db2.gz YRZQVSAGZMYFTE-UHFFFAOYSA-N 2 0 314.433 2.074 10 0 DEAERP [NH3+][C@H]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000164726093 197663029 /nfs/dbraw/zinc/66/30/29/197663029.db2.gz SXENROIYMSPDLP-IRXDYDNUSA-N 2 0 301.434 2.026 10 0 DEAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000087912724 185237331 /nfs/dbraw/zinc/23/73/31/185237331.db2.gz LHMYFCKWPKDVPS-CQSZACIVSA-N 2 0 314.271 2.380 10 0 DEAERP C[NH2+][C@H](C)c1cccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000092364742 185314007 /nfs/dbraw/zinc/31/40/07/185314007.db2.gz RKOVUYISWGCUFX-GFCCVEGCSA-N 2 0 305.403 2.471 10 0 DEAERP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181559814 539651793 /nfs/dbraw/zinc/65/17/93/539651793.db2.gz GTCWQACTXLKZPW-YESZJQIVSA-N 2 0 312.498 2.263 10 0 DEAERP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000192950955 539710820 /nfs/dbraw/zinc/71/08/20/539710820.db2.gz RGHGYTBQHSRBPK-CQSZACIVSA-N 2 0 324.440 2.359 10 0 DEAERP C[C@H]1CCC[C@]([NH3+])(C(=O)c2c(Cl)cnn2CC[NH+](C)C)C1 ZINC000164351416 186156668 /nfs/dbraw/zinc/15/66/68/186156668.db2.gz YCPCJGDNVMJZCH-XHDPSFHLSA-N 2 0 312.845 2.188 10 0 DEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000175710097 186191113 /nfs/dbraw/zinc/19/11/13/186191113.db2.gz IDIZBRQDVWRLBI-ZDUSSCGKSA-N 2 0 315.417 2.318 10 0 DEAERP C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1ccnc1 ZINC000183904189 186229583 /nfs/dbraw/zinc/22/95/83/186229583.db2.gz GSGKCQJLGWXWQX-CJNGLKHVSA-N 2 0 313.405 2.067 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901096 198004219 /nfs/dbraw/zinc/00/42/19/198004219.db2.gz HPXYSNKMMVOSFJ-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP C[N@@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccccc1 ZINC000333523206 539962226 /nfs/dbraw/zinc/96/22/26/539962226.db2.gz GXEQXQMKQKFJQI-GQGLESIBSA-N 2 0 316.449 2.001 10 0 DEAERP CC[NH+]1CCN(CCC[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182075158 199382957 /nfs/dbraw/zinc/38/29/57/199382957.db2.gz UZFCPENUVYHULS-GOSISDBHSA-N 2 0 303.494 2.482 10 0 DEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)C[NH3+] ZINC000404312073 540145183 /nfs/dbraw/zinc/14/51/83/540145183.db2.gz LXFCGJSHCVOSFX-HRCADAONSA-N 2 0 317.477 2.481 10 0 DEAERP [NH3+]C1(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000398050484 540140308 /nfs/dbraw/zinc/14/03/08/540140308.db2.gz WCVYPVIKWVAMQC-MRXNPFEDSA-N 2 0 301.434 2.039 10 0 DEAERP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000130870572 355845144 /nfs/dbraw/zinc/84/51/44/355845144.db2.gz MZXIWJGRQGVYAE-OAHLLOKOSA-N 2 0 307.463 2.301 10 0 DEAERP OC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000169782452 355982946 /nfs/dbraw/zinc/98/29/46/355982946.db2.gz PXEHMTPIWKOYIQ-QGZVFWFLSA-N 2 0 315.461 2.140 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000079689768 191962183 /nfs/dbraw/zinc/96/21/83/191962183.db2.gz LZXRHGIIKKSOQS-JKSUJKDBSA-N 2 0 312.502 2.138 10 0 DEAERP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000183050865 356158197 /nfs/dbraw/zinc/15/81/97/356158197.db2.gz RLABPUUJUNVLGV-KBPBESRZSA-N 2 0 321.446 2.346 10 0 DEAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000400760669 283158474 /nfs/dbraw/zinc/15/84/74/283158474.db2.gz YBQYFCVDEKZJSU-ILXRZTDVSA-N 2 0 313.486 2.419 10 0 DEAERP CSC1(C[NH3+])CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000091472967 193061134 /nfs/dbraw/zinc/06/11/34/193061134.db2.gz IFCOMOFMBQUEIU-MRXNPFEDSA-N 2 0 306.475 2.457 10 0 DEAERP COc1ccc(OCC[NH+]2CCC(C[NH3+])(SC)CC2)cc1 ZINC000091473703 193061348 /nfs/dbraw/zinc/06/13/48/193061348.db2.gz KQXUUXDURFRSMT-UHFFFAOYSA-N 2 0 310.463 2.230 10 0 DEAERP C[C@]1(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC[NH2+]C1 ZINC000261901773 291380841 /nfs/dbraw/zinc/38/08/41/291380841.db2.gz WGFZUQNITZPHHK-YJBOKZPZSA-N 2 0 317.481 2.184 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@@H]([N@H+](CCOC)[C@@H](C)CC)C1 ZINC000093783251 193307478 /nfs/dbraw/zinc/30/74/78/193307478.db2.gz NUMVCWHNHSDDDU-GVDBMIGSSA-N 2 0 300.487 2.407 10 0 DEAERP CC[NH2+][C@H]1[C@H](C[N@H+](CCCOC)CCOC)CCC1(C)C ZINC000094317436 193359863 /nfs/dbraw/zinc/35/98/63/193359863.db2.gz VJTSVEOXUXTEPZ-HOTGVXAUSA-N 2 0 300.487 2.386 10 0 DEAERP C[C@H](C(N)=S)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000109471381 194267505 /nfs/dbraw/zinc/26/75/05/194267505.db2.gz KEDNIHGRBDHUJR-GFCCVEGCSA-N 2 0 300.431 2.031 10 0 DEAERP CC[C@@H]1CN(c2cc(Br)ccc2C[NH3+])CC[N@@H+]1C ZINC000110730703 194354639 /nfs/dbraw/zinc/35/46/39/194354639.db2.gz HVYMNMPSSCLVLN-CYBMUJFWSA-N 2 0 312.255 2.438 10 0 DEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000110708793 194352974 /nfs/dbraw/zinc/35/29/74/194352974.db2.gz QRVOJEKQPXNBQW-HZMBPMFUSA-N 2 0 301.356 2.130 10 0 DEAERP CN(CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000111138005 194394543 /nfs/dbraw/zinc/39/45/43/194394543.db2.gz WYJKITLACJQWEO-UHFFFAOYSA-N 2 0 302.344 2.377 10 0 DEAERP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC[NH+](C)C ZINC000111129672 194393379 /nfs/dbraw/zinc/39/33/79/194393379.db2.gz LWGGCDXBZLZXDO-FZMZJTMJSA-N 2 0 314.271 2.331 10 0 DEAERP C[NH+](C)C[C@H]1CCCN1c1cc(Br)ccc1C[NH3+] ZINC000061645994 184181183 /nfs/dbraw/zinc/18/11/83/184181183.db2.gz FLRRJPDNJJPDNZ-CYBMUJFWSA-N 2 0 312.255 2.438 10 0 DEAERP CCC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000062899769 184258977 /nfs/dbraw/zinc/25/89/77/184258977.db2.gz JDSXIPVUYCEWNT-CJNGLKHVSA-N 2 0 309.479 2.247 10 0 DEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000062964067 184263197 /nfs/dbraw/zinc/26/31/97/184263197.db2.gz LUZHJXGMWSAWTI-KGLIPLIRSA-N 2 0 312.255 2.085 10 0 DEAERP CC[NH2+][C@H](c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000158769788 197299852 /nfs/dbraw/zinc/29/98/52/197299852.db2.gz VORYVBJZVCFUPG-LBPRGKRZSA-N 2 0 315.259 2.268 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000245475262 285236247 /nfs/dbraw/zinc/23/62/47/285236247.db2.gz RTBYDEDWFBIQTL-GVDBMIGSSA-N 2 0 324.513 2.233 10 0 DEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000171605915 144810708 /nfs/dbraw/zinc/81/07/08/144810708.db2.gz IJECBIXUIAFOGD-SFHVURJKSA-N 2 0 317.477 2.152 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(F)cc2)[C@@H](C)C1 ZINC000245443001 145092896 /nfs/dbraw/zinc/09/28/96/145092896.db2.gz WTOVGOSHWZTDNP-LESCRADOSA-N 2 0 324.440 2.228 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000246148808 145093351 /nfs/dbraw/zinc/09/33/51/145093351.db2.gz KBRMEWVKZDRGOZ-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246972933 145120902 /nfs/dbraw/zinc/12/09/02/145120902.db2.gz VNRAXAJPBIGDCT-FUHWJXTLSA-N 2 0 313.445 2.234 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247473923 145138448 /nfs/dbraw/zinc/13/84/48/145138448.db2.gz HPXYSNKMMVOSFJ-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000248426651 145154998 /nfs/dbraw/zinc/15/49/98/145154998.db2.gz LNXQKCALERPWIO-JKSUJKDBSA-N 2 0 324.513 2.136 10 0 DEAERP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539369 145206342 /nfs/dbraw/zinc/20/63/42/145206342.db2.gz CFUIBHYAZDDEPZ-JQHSSLGASA-N 2 0 315.461 2.013 10 0 DEAERP C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261560405 145207983 /nfs/dbraw/zinc/20/79/83/145207983.db2.gz ZWTVZXGDPXHJSV-RANZSIQMSA-N 2 0 315.461 2.141 10 0 DEAERP C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261679575 145216416 /nfs/dbraw/zinc/21/64/16/145216416.db2.gz AEOQHUSCGDDYPS-LJQANCHMSA-N 2 0 315.461 2.223 10 0 DEAERP CC1(C)C[N@H+](CCC(=O)NCc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261811014 145228963 /nfs/dbraw/zinc/22/89/63/145228963.db2.gz WTYNGIRSHLXDLK-OAHLLOKOSA-N 2 0 323.868 2.406 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C[NH+]1CCCCC1 ZINC000261834484 145231899 /nfs/dbraw/zinc/23/18/99/145231899.db2.gz BXXDHTGMSRPOFX-TWMKSMIVSA-N 2 0 307.482 2.145 10 0 DEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834946 145232098 /nfs/dbraw/zinc/23/20/98/145232098.db2.gz ULJYLKLWMPPUOO-NRSFXHEJSA-N 2 0 315.461 2.313 10 0 DEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261860611 145234587 /nfs/dbraw/zinc/23/45/87/145234587.db2.gz WTHKCMOQHWKCAU-ARFHVFGLSA-N 2 0 309.498 2.378 10 0 DEAERP CN(CC(=O)Nc1cc(F)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261959740 145246945 /nfs/dbraw/zinc/24/69/45/145246945.db2.gz OODZAPHCKILYGC-FUNVUKJBSA-N 2 0 309.360 2.118 10 0 DEAERP CCc1cccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262023225 145253460 /nfs/dbraw/zinc/25/34/60/145253460.db2.gz XWBZLJNCHBXBAK-SJPCQFCGSA-N 2 0 301.434 2.402 10 0 DEAERP O[C@@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)ccc1OC1CCCC1 ZINC000262067601 145258979 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PPPKICJMSOYUNX-OLMNPRSZSA-N 2 0 313.445 2.203 10 0 DEAERP CC[NH2+][C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000638114780 406578031 /nfs/dbraw/zinc/57/80/31/406578031.db2.gz YHPJCENNYPGVAH-CCNLRDMRSA-N 2 0 315.461 2.296 10 0 DEAERP C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000129254504 196032949 /nfs/dbraw/zinc/03/29/49/196032949.db2.gz KBYYOZPYICWHIC-GSPSYOTPSA-N 2 0 310.873 2.385 10 0 DEAERP CCC[NH2+]CC(CC)(CC)C[NH+]1CCC(OCCO)CC1 ZINC000129392710 196043802 /nfs/dbraw/zinc/04/38/02/196043802.db2.gz WOPROSWDFLKYMJ-UHFFFAOYSA-N 2 0 300.487 2.266 10 0 DEAERP CSc1ccc(C[N@@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC000130627476 196096966 /nfs/dbraw/zinc/09/69/66/196096966.db2.gz MIHCJZJUUUAXJS-MRXNPFEDSA-N 2 0 305.491 2.406 10 0 DEAERP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423011552 230315032 /nfs/dbraw/zinc/31/50/32/230315032.db2.gz JEZOFRWNSFVBKC-BRWVUGGUSA-N 2 0 300.450 2.407 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382762964 424910613 /nfs/dbraw/zinc/91/06/13/424910613.db2.gz NATGOTAMMLDCFQ-QZTJIDSGSA-N 2 0 317.477 2.340 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309897399 424894165 /nfs/dbraw/zinc/89/41/65/424894165.db2.gz GZKOHAXMVCDWDJ-SFHVURJKSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333907045 269003521 /nfs/dbraw/zinc/00/35/21/269003521.db2.gz CZJFXFGGGALMBH-OAGGEKHMSA-N 2 0 324.513 2.184 10 0 DEAERP C[C@H](CCCC[NH3+])[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397675006 269107008 /nfs/dbraw/zinc/10/70/08/269107008.db2.gz JHUZFNUHVXXHEQ-QGZVFWFLSA-N 3 0 319.493 2.121 10 0 DEAERP COC[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174084667 274042266 /nfs/dbraw/zinc/04/22/66/274042266.db2.gz ZAUCBQSEHJOCPS-QAPCUYQASA-N 2 0 306.450 2.057 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246185239 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303.494 2.481 10 0 DEAERP O=C([C@@H]1CC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2)N1CCCCC1 ZINC000262000792 296001911 /nfs/dbraw/zinc/00/19/11/296001911.db2.gz UATHGBIRCRGKIG-SJORKVTESA-N 2 0 319.493 2.101 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000262643027 296069052 /nfs/dbraw/zinc/06/90/52/296069052.db2.gz LVTMSQDBDHWQQK-JQHSSLGASA-N 2 0 319.493 2.384 10 0 DEAERP C[NH+](C)[C@@H]1CCCN(c2cc(Br)ccc2C[NH3+])C1 ZINC000091393764 193049831 /nfs/dbraw/zinc/04/98/31/193049831.db2.gz AQJQTDIPXVLBBL-CYBMUJFWSA-N 2 0 312.255 2.438 10 0 DEAERP CC1(C)CC[C@H](C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)O1 ZINC000631078289 368005068 /nfs/dbraw/zinc/00/50/68/368005068.db2.gz SOIDATWFVFZTES-IEBWSBKVSA-N 2 0 318.461 2.171 10 0 DEAERP C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631844273 368420672 /nfs/dbraw/zinc/42/06/72/368420672.db2.gz WDHIKHNDPWZWOL-VXGBXAGGSA-N 2 0 313.239 2.355 10 0 DEAERP c1ccc(OCCOCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888143 368443100 /nfs/dbraw/zinc/44/31/00/368443100.db2.gz UGTIAMDKDQLFJP-SJLPKXTDSA-N 2 0 304.434 2.156 10 0 DEAERP CCOC(=O)[C@@]1([NH3+])CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596065 193271695 /nfs/dbraw/zinc/27/16/95/193271695.db2.gz VMZJFWRMDLBBBD-WCQYABFASA-N 2 0 310.360 2.321 10 0 DEAERP CCOCC[N@H+](CC)CC[C@H]1CCC[C@@]1(CO)[NH2+]C(C)C ZINC000093597916 193273243 /nfs/dbraw/zinc/27/32/43/193273243.db2.gz UMFRGDLNFMMHSZ-SJORKVTESA-N 2 0 300.487 2.264 10 0 DEAERP C[NH2+][C@@H]1[C@@H](C[N@H+](CCCOC)CCOC)CCCC1(C)C ZINC000094287544 193356027 /nfs/dbraw/zinc/35/60/27/193356027.db2.gz KRGSOASSEZVGPR-HZPDHXFCSA-N 2 0 300.487 2.386 10 0 DEAERP CC[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])C[C@@H]1C ZINC000094334300 193360221 /nfs/dbraw/zinc/36/02/21/193360221.db2.gz CWZZMGIOQMOTIW-JTQLQIEISA-N 2 0 302.344 2.090 10 0 DEAERP CC[NH2+]C1CCC([N@H+](C)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634026 193385620 /nfs/dbraw/zinc/38/56/20/193385620.db2.gz BISIZFYNLHQCPK-FJBKBRRZSA-N 2 0 316.511 2.195 10 0 DEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1[nH+]c(NN)ccc1Cl ZINC000094442288 193369666 /nfs/dbraw/zinc/36/96/66/193369666.db2.gz ODDMGVUXESDOKZ-NWDGAFQWSA-N 2 0 309.845 2.079 10 0 DEAERP [NH3+]C[C@]1(N2CC[N@@H+]3CCC[C@@H]3C2)CCC[C@H](C(F)(F)F)C1 ZINC000094459065 193371716 /nfs/dbraw/zinc/37/17/16/193371716.db2.gz LDWCGWUCOCNUJR-MJBXVCDLSA-N 2 0 305.388 2.216 10 0 DEAERP COc1ccc([C@@H](C[NH3+])N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000094458692 193372032 /nfs/dbraw/zinc/37/20/32/193372032.db2.gz OXKCEHLJDDIRNH-UKRRQHHQSA-N 2 0 309.841 2.128 10 0 DEAERP CC[NH+](CC)CCC[NH2+]CCCC[NH2+]CCC[NH+](CC)CC ZINC000040506061 183085280 /nfs/dbraw/zinc/08/52/80/183085280.db2.gz DLZJAFZWCIIMLO-UHFFFAOYSA-N 4 0 314.562 2.410 10 0 DEAERP C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC[NH+](C)C ZINC000111129978 194393362 /nfs/dbraw/zinc/39/33/62/194393362.db2.gz SWJYJCLVRISXRB-BXUZGUMPSA-N 2 0 314.271 2.331 10 0 DEAERP c1cc(CC[NH2+]CCN2CC[C@@H]([NH+]3CCCCC3)C2)cs1 ZINC000062974702 184263602 /nfs/dbraw/zinc/26/36/02/184263602.db2.gz PGUUVCBYRPDNSH-QGZVFWFLSA-N 2 0 307.507 2.440 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000539417682 285076844 /nfs/dbraw/zinc/07/68/44/285076844.db2.gz RZPNJJIVKDNWRR-UHFFFAOYSA-N 2 0 317.477 2.309 10 0 DEAERP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]2C1 ZINC000247994459 257113577 /nfs/dbraw/zinc/11/35/77/257113577.db2.gz MFODYIQOZXTYFO-RBUKOAKNSA-N 2 0 301.478 2.044 10 0 DEAERP O[C@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387135 144809494 /nfs/dbraw/zinc/80/94/94/144809494.db2.gz FDIKWPAVZNWBKX-LJQANCHMSA-N 2 0 302.462 2.398 10 0 DEAERP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCCC2)C12CCOCC2 ZINC000186250340 144978275 /nfs/dbraw/zinc/97/82/75/144978275.db2.gz IMNYRAPXLLMVQG-IRXDYDNUSA-N 2 0 310.482 2.426 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C12CCOCC2 ZINC000186374872 144981507 /nfs/dbraw/zinc/98/15/07/144981507.db2.gz FKIYGBLFBXTNSX-LTIDMASMSA-N 2 0 310.482 2.423 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)C)nn3C2)[C@H](C)C1 ZINC000246549800 145105962 /nfs/dbraw/zinc/10/59/62/145105962.db2.gz WLGNDVSXGXYKLZ-ILXRZTDVSA-N 2 0 305.470 2.036 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)C)nn3C2)[C@@H](C)C1 ZINC000246549815 145105971 /nfs/dbraw/zinc/10/59/71/145105971.db2.gz WLGNDVSXGXYKLZ-KKUMJFAQSA-N 2 0 305.470 2.036 10 0 DEAERP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247944537 145145407 /nfs/dbraw/zinc/14/54/07/145145407.db2.gz HEXOYWUAQAKEGI-SCTDSRPQSA-N 2 0 318.461 2.151 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000261813554 297090869 /nfs/dbraw/zinc/09/08/69/297090869.db2.gz ADYYEFNOUBLPQZ-CVEARBPZSA-N 2 0 307.482 2.371 10 0 DEAERP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550899 145207299 /nfs/dbraw/zinc/20/72/99/145207299.db2.gz PXDNIBWVWWABJR-SJLPKXTDSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@]1(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)CC[NH2+]C1 ZINC000261778745 145225641 /nfs/dbraw/zinc/22/56/41/145225641.db2.gz NPUPOHMLKDPODT-SFHVURJKSA-N 2 0 317.433 2.042 10 0 DEAERP CCc1ccc([C@@H](C)NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798734 145227153 /nfs/dbraw/zinc/22/71/53/145227153.db2.gz NZJMJULIAPWOEP-PBHICJAKSA-N 2 0 317.477 2.485 10 0 DEAERP C[C@H]1CCCN1C(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261861154 145234886 /nfs/dbraw/zinc/23/48/86/145234886.db2.gz WHWUSTVSRNLHMN-JQHSSLGASA-N 2 0 315.461 2.062 10 0 DEAERP C[C@@H]1CCC[C@@H](NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000261859928 145235056 /nfs/dbraw/zinc/23/50/56/145235056.db2.gz FPPWTLOOLQMPMP-FEGGEPFGSA-N 2 0 307.482 2.142 10 0 DEAERP CCCN(CC(=O)Nc1ccccc1OC)C[C@]1(C)CC[NH2+]C1 ZINC000261892514 145238749 /nfs/dbraw/zinc/23/87/49/145238749.db2.gz UEHJZGXZNBFPKH-GOSISDBHSA-N 2 0 319.449 2.345 10 0 DEAERP [NH3+]C1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000261951311 145246368 /nfs/dbraw/zinc/24/63/68/145246368.db2.gz ZAVPTRVPBHSRFC-UHFFFAOYSA-N 2 0 317.433 2.119 10 0 DEAERP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261976833 145248234 /nfs/dbraw/zinc/24/82/34/145248234.db2.gz RDKWGWAFFCUJEZ-NCXUSEDFSA-N 3 0 323.525 2.244 10 0 DEAERP C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]C1 ZINC000262365585 145279148 /nfs/dbraw/zinc/27/91/48/145279148.db2.gz WWBYJEGWQLXUCW-OZSLIKBDSA-N 2 0 307.482 2.144 10 0 DEAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000262561954 145293671 /nfs/dbraw/zinc/29/36/71/145293671.db2.gz VQMGVXCHSMOKAS-HOTGVXAUSA-N 2 0 303.450 2.184 10 0 DEAERP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000370763212 148053548 /nfs/dbraw/zinc/05/35/48/148053548.db2.gz HBLJMKFFOJRCMX-FGTMMUONSA-N 2 0 315.461 2.142 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127326861 401729113 /nfs/dbraw/zinc/72/91/13/401729113.db2.gz ZZIPBMUDHBIPJX-GOEBONIOSA-N 2 0 322.497 2.033 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176060257 402274847 /nfs/dbraw/zinc/27/48/47/402274847.db2.gz NEVJYUUIVFGDAT-IRXDYDNUSA-N 2 0 324.513 2.280 10 0 DEAERP CC[NH+](CC)C[C@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185013525 402316785 /nfs/dbraw/zinc/31/67/85/402316785.db2.gz GQGHEMWJXUKKEY-CQSZACIVSA-N 2 0 317.437 2.239 10 0 DEAERP Cn1cc(-c2cc(C[NH+]3CCC(n4ccnc4)CC3)on2)cn1 ZINC000185020082 402317284 /nfs/dbraw/zinc/31/72/84/402317284.db2.gz KDFUPBDAWZFMJU-UHFFFAOYSA-N 2 0 312.377 2.109 10 0 DEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164736303 402467954 /nfs/dbraw/zinc/46/79/54/402467954.db2.gz NMNRXHNAWNPHOD-WMLDXEAASA-N 2 0 303.450 2.272 10 0 DEAERP CC[N@H+](CC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000246195971 402517490 /nfs/dbraw/zinc/51/74/90/402517490.db2.gz ACTYOUVBBRAXNR-NVXWUHKLSA-N 2 0 315.461 2.250 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CC(C)C ZINC000170828191 402530186 /nfs/dbraw/zinc/53/01/86/402530186.db2.gz IVFLQVHJXZOGOO-JKSUJKDBSA-N 2 0 312.502 2.088 10 0 DEAERP C[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178747361 402533783 /nfs/dbraw/zinc/53/37/83/402533783.db2.gz FWBYSMQQGPQLAA-PBHICJAKSA-N 2 0 301.434 2.019 10 0 DEAERP C[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178747381 402533883 /nfs/dbraw/zinc/53/38/83/402533883.db2.gz FWBYSMQQGPQLAA-RHSMWYFYSA-N 2 0 301.434 2.019 10 0 DEAERP C[C@@H](CCNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000248373932 402588413 /nfs/dbraw/zinc/58/84/13/402588413.db2.gz MPTUJLPBZBKFCZ-IRXDYDNUSA-N 2 0 324.513 2.425 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249757505 402640476 /nfs/dbraw/zinc/64/04/76/402640476.db2.gz DYZAAJFZCSHGSS-BZUAXINKSA-N 2 0 312.502 2.136 10 0 DEAERP CC[NH+](CC)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173311132 402692342 /nfs/dbraw/zinc/69/23/42/402692342.db2.gz OXJRICDPYQDVTN-SJORKVTESA-N 2 0 324.513 2.375 10 0 DEAERP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+]1CCCC1 ZINC000174113784 402727167 /nfs/dbraw/zinc/72/71/67/402727167.db2.gz QFJBFTOKSHSMGI-XYTVBORESA-N 2 0 322.497 2.033 10 0 DEAERP C[C@H]1CCC[C@@](CNC(=O)c2c[nH+]ccc2N(C)C)([NH+](C)C)C1 ZINC000183440273 402767562 /nfs/dbraw/zinc/76/75/62/402767562.db2.gz XXCXDRTXRSWWOC-KBXCAEBGSA-N 2 0 318.465 2.388 10 0 DEAERP Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)nc(C(C)C)n1 ZINC000301298779 403612698 /nfs/dbraw/zinc/61/26/98/403612698.db2.gz TVTAXOHNMRCSNH-CQSZACIVSA-N 2 0 302.426 2.357 10 0 DEAERP CC(=O)[C@](C)(O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347752644 403846420 /nfs/dbraw/zinc/84/64/20/403846420.db2.gz KFQCTQIVIAKXCH-LJQANCHMSA-N 2 0 318.461 2.170 10 0 DEAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000333865260 403890624 /nfs/dbraw/zinc/89/06/24/403890624.db2.gz SVGXCRJCKAGWHW-ZJIFWQFVSA-N 2 0 316.511 2.243 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379681896 405029142 /nfs/dbraw/zinc/02/91/42/405029142.db2.gz UOJHLTGIKRIYLI-HHXXYDBFSA-N 2 0 315.461 2.298 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000389875879 405040954 /nfs/dbraw/zinc/04/09/54/405040954.db2.gz LRGIZRPCXBEQSR-FZCLSBEQSA-N 2 0 315.461 2.011 10 0 DEAERP [NH3+]C1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000390537811 405045845 /nfs/dbraw/zinc/04/58/45/405045845.db2.gz GOLMABIOUOTEAE-ACBHZAAOSA-N 2 0 317.477 2.137 10 0 DEAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000396334506 405056906 /nfs/dbraw/zinc/05/69/06/405056906.db2.gz TUUCSBHWNWNPQI-KBAYOESNSA-N 2 0 315.461 2.094 10 0 DEAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000361691851 405200016 /nfs/dbraw/zinc/20/00/16/405200016.db2.gz HGXYXQMDWIPGBH-UHFFFAOYSA-N 2 0 318.465 2.464 10 0 DEAERP Cn1ncc(Br)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459796026 406050885 /nfs/dbraw/zinc/05/08/85/406050885.db2.gz VXVMDJBQRXFCMW-NSHDSACASA-N 2 0 315.259 2.004 10 0 DEAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000635010080 406398519 /nfs/dbraw/zinc/39/85/19/406398519.db2.gz YAUDMCAKXCOOJF-IAAVTCLWSA-N 2 0 315.461 2.333 10 0 DEAERP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000638081429 406559891 /nfs/dbraw/zinc/55/98/91/406559891.db2.gz YUNHSAUXRIBHSY-RDJZCZTQSA-N 2 0 303.450 2.155 10 0 DEAERP c1cnc(N2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cn1 ZINC000527249681 406603941 /nfs/dbraw/zinc/60/39/41/406603941.db2.gz WPAHODWFCBAROP-UHFFFAOYSA-N 2 0 315.465 2.052 10 0 DEAERP C[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000572256164 406634163 /nfs/dbraw/zinc/63/41/63/406634163.db2.gz CQWNFLYYVDTHNO-NXHRZFHOSA-N 2 0 315.461 2.107 10 0 DEAERP CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000363398551 269055758 /nfs/dbraw/zinc/05/57/58/269055758.db2.gz LDQNYQUVHISRFO-UHFFFAOYSA-N 2 0 315.461 2.450 10 0 DEAERP c1ccc(COCCOCCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000390581477 269098057 /nfs/dbraw/zinc/09/80/57/269098057.db2.gz PMRUYYHEVQZREK-GOSISDBHSA-N 2 0 306.450 2.342 10 0 DEAERP C[C@@H]1CSC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397507067 269106540 /nfs/dbraw/zinc/10/65/40/269106540.db2.gz JTRXPFAQPCTNGG-NVXWUHKLSA-N 2 0 320.502 2.355 10 0 DEAERP CO[C@@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397495801 269106820 /nfs/dbraw/zinc/10/68/20/269106820.db2.gz PZAWFJSIIIYQCG-CVEARBPZSA-N 2 0 306.450 2.027 10 0 DEAERP C[C@@H](CCCC[NH3+])[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397675005 269106919 /nfs/dbraw/zinc/10/69/19/269106919.db2.gz JHUZFNUHVXXHEQ-KRWDZBQOSA-N 3 0 319.493 2.121 10 0 DEAERP CC1CC[NH+](CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000136905459 276195062 /nfs/dbraw/zinc/19/50/62/276195062.db2.gz UCKFREFJIZSWOW-QGZVFWFLSA-N 2 0 307.482 2.195 10 0 DEAERP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737446 278136304 /nfs/dbraw/zinc/13/63/04/278136304.db2.gz RGLFFGBIBHJFOD-QGZVFWFLSA-N 2 0 321.509 2.441 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175364700 279332717 /nfs/dbraw/zinc/33/27/17/279332717.db2.gz DTGIJHDXPMPGTF-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000261883608 295271296 /nfs/dbraw/zinc/27/12/96/295271296.db2.gz ZJJLPDKNYCVJCW-RCCFBDPRSA-N 2 0 321.509 2.476 10 0 DEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](C)COC)cc2)CC1 ZINC000187676004 333236038 /nfs/dbraw/zinc/23/60/38/333236038.db2.gz ZPXQANWJIAQQFC-KRWDZBQOSA-N 2 0 319.493 2.196 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000398112434 337306177 /nfs/dbraw/zinc/30/61/77/337306177.db2.gz DMIMMEUDAZPVCW-CGTJXYLNSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398163301 337307632 /nfs/dbraw/zinc/30/76/32/337307632.db2.gz SNDPNIFNMNESEG-HHXXYDBFSA-N 2 0 315.461 2.155 10 0 DEAERP COc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3C[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000584627296 337376201 /nfs/dbraw/zinc/37/62/01/337376201.db2.gz RYFNTWUMDXXCPE-ZYGGUILKSA-N 2 0 315.461 2.333 10 0 DEAERP O[C@@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000728686935 639285477 /nfs/dbraw/zinc/28/54/77/639285477.db2.gz YKJFOISOJIOPID-RBUKOAKNSA-N 2 0 323.525 2.031 10 0 DEAERP COC[C@H](C)C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187820341 684344162 /nfs/dbraw/zinc/34/41/62/684344162.db2.gz GSJLWRLAUWOOJB-APWZRJJASA-N 2 0 320.477 2.304 10 0 DEAERP O[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716638989 792982390 /nfs/dbraw/zinc/98/23/90/792982390.db2.gz RENVAPBMPSSGPP-DSLXNQLJSA-N 2 0 300.446 2.400 10 0 DEAERP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000711285776 1087043075 /nfs/dbraw/zinc/04/30/75/1087043075.db2.gz XMSHGROYCKEGQV-SJORKVTESA-N 2 0 315.461 2.013 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000192769529 282080135 /nfs/dbraw/zinc/08/01/35/282080135.db2.gz GLTRRHBKRDPLEZ-UHFFFAOYSA-N 2 0 307.482 2.097 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000079292541 185163913 /nfs/dbraw/zinc/16/39/13/185163913.db2.gz ZLSZJXZXVPIPAU-HZPDHXFCSA-N 2 0 312.502 2.136 10 0 DEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000082539576 185190916 /nfs/dbraw/zinc/19/09/16/185190916.db2.gz YRUWWZRDLPOKCK-JTQLQIEISA-N 2 0 306.273 2.004 10 0 DEAERP [NH3+]C[C@]1(Nc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000087914747 185237249 /nfs/dbraw/zinc/23/72/49/185237249.db2.gz TVUVAIAMBXOQQR-CQSZACIVSA-N 2 0 310.239 2.427 10 0 DEAERP Nc1[nH+]c2ccc(Br)cc2n1CC[NH+]1CCCC1 ZINC000087837501 185233047 /nfs/dbraw/zinc/23/30/47/185233047.db2.gz QYUBJKXVQQBLMW-UHFFFAOYSA-N 2 0 309.211 2.477 10 0 DEAERP C[N@H+](CCCNC(=O)NC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000195128079 282369328 /nfs/dbraw/zinc/36/93/28/282369328.db2.gz POCBOKZQMPRVFN-INIZCTEOSA-N 2 0 310.486 2.034 10 0 DEAERP CCOC1CC[NH+](CCCC[C@@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070513775 190903549 /nfs/dbraw/zinc/90/35/49/190903549.db2.gz VMANTXHNHRLIRO-KRWDZBQOSA-N 2 0 300.487 2.407 10 0 DEAERP CC[NH2+][C@H](Cc1ccc(Cl)cc1)C[C@H]1C[N@H+](C)CCN1C ZINC000149610976 186051543 /nfs/dbraw/zinc/05/15/43/186051543.db2.gz OTDKRTUKDLUZSO-SJORKVTESA-N 2 0 309.885 2.497 10 0 DEAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000263107274 539789131 /nfs/dbraw/zinc/78/91/31/539789131.db2.gz ABCZATSQZJLDFR-WFASDCNBSA-N 2 0 306.406 2.224 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)CC(C)C ZINC000171900004 198004274 /nfs/dbraw/zinc/00/42/74/198004274.db2.gz FCPRKSMDZKAHLZ-IAGOWNOFSA-N 2 0 324.513 2.233 10 0 DEAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000333842867 539973705 /nfs/dbraw/zinc/97/37/05/539973705.db2.gz OOEWCOWLSVITGE-BBWFWOEESA-N 2 0 322.497 2.164 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775393 198383360 /nfs/dbraw/zinc/38/33/60/198383360.db2.gz RRZLUFKENWTZMI-NVXWUHKLSA-N 2 0 315.461 2.238 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000181973175 356102984 /nfs/dbraw/zinc/10/29/84/356102984.db2.gz KVMUYEMLWNNDNG-ZACQAIPSSA-N 2 0 324.513 2.279 10 0 DEAERP CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000183050900 356157786 /nfs/dbraw/zinc/15/77/86/356157786.db2.gz RLABPUUJUNVLGV-UONOGXRCSA-N 2 0 321.446 2.346 10 0 DEAERP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000183050885 356157950 /nfs/dbraw/zinc/15/79/50/356157950.db2.gz RLABPUUJUNVLGV-ZIAGYGMSSA-N 2 0 321.446 2.346 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000262243439 356341158 /nfs/dbraw/zinc/34/11/58/356341158.db2.gz BVWGNWVQBXTVKM-CWRNSKLLSA-N 2 0 307.413 2.062 10 0 DEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399548403 283153245 /nfs/dbraw/zinc/15/32/45/283153245.db2.gz BJLQOIJCTRWXBC-BFYDXBDKSA-N 2 0 305.466 2.243 10 0 DEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000400760675 283158662 /nfs/dbraw/zinc/15/86/62/283158662.db2.gz YBQYFCVDEKZJSU-QLFBSQMISA-N 2 0 313.486 2.419 10 0 DEAERP Cn1c2ccccc2nc1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328625313 356462644 /nfs/dbraw/zinc/46/26/44/356462644.db2.gz CYWZGNCTJLGYQB-CQSZACIVSA-N 2 0 309.417 2.464 10 0 DEAERP CCc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1C[NH2+]C1CC1 ZINC000091429769 193054948 /nfs/dbraw/zinc/05/49/48/193054948.db2.gz QOGYOGRPCFRDSN-ZDUSSCGKSA-N 2 0 308.495 2.488 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000629571428 367256316 /nfs/dbraw/zinc/25/63/16/367256316.db2.gz LUPKYRZQUVBPHG-UHFFFAOYSA-N 2 0 319.218 2.256 10 0 DEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@@H]1c1ccc(Cl)c(F)c1 ZINC000093382452 193240845 /nfs/dbraw/zinc/24/08/45/193240845.db2.gz ZTMVZMJFUWHCDQ-CQSZACIVSA-N 2 0 312.820 2.492 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1ccc(Cl)cc1Cl ZINC000093374506 193240474 /nfs/dbraw/zinc/24/04/74/193240474.db2.gz OFXLXXWHRWZHMZ-GFCCVEGCSA-N 2 0 301.221 2.226 10 0 DEAERP C[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093618268 193275317 /nfs/dbraw/zinc/27/53/17/193275317.db2.gz MKIAEGIBVPIBAY-IHRRRGAJSA-N 2 0 308.388 2.401 10 0 DEAERP CCC[NH2+][C@@]1(CO)CCC[C@@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093782962 193307777 /nfs/dbraw/zinc/30/77/77/193307777.db2.gz XGYWVPLAKISYGJ-SJORKVTESA-N 2 0 300.487 2.264 10 0 DEAERP CCC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638876 193387937 /nfs/dbraw/zinc/38/79/37/193387937.db2.gz VQHNBTWIORLVHW-CKUJCDMFSA-N 2 0 316.511 2.324 10 0 DEAERP CCC[NH2+]CC1CC[NH+]([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644247 193389817 /nfs/dbraw/zinc/38/98/17/193389817.db2.gz SMARNZWVVMWLNM-HZPDHXFCSA-N 2 0 316.511 2.054 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1[C@H]([NH3+])C1(C)CC1 ZINC000161479743 197498349 /nfs/dbraw/zinc/49/83/49/197498349.db2.gz WGLFVPIAHPVTBX-NSHDSACASA-N 2 0 301.232 2.007 10 0 DEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000111130692 194393338 /nfs/dbraw/zinc/39/33/38/194393338.db2.gz KNRZRCJVHGULTQ-NSHDSACASA-N 2 0 320.300 2.394 10 0 DEAERP CC[NH2+]C[C@H](C)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000061236506 184166948 /nfs/dbraw/zinc/16/69/48/184166948.db2.gz VPUJWVDSDIKFFW-AWEZNQCLSA-N 2 0 309.479 2.028 10 0 DEAERP CCCC1(C[NH+]2CCN(CC(F)(F)F)CC2)CC[NH2+]CC1 ZINC000062851305 184256418 /nfs/dbraw/zinc/25/64/18/184256418.db2.gz HJRDKKLEYYJCPQ-UHFFFAOYSA-N 2 0 307.404 2.336 10 0 DEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2ccc(Br)s2)C1 ZINC000062963996 184263027 /nfs/dbraw/zinc/26/30/27/184263027.db2.gz VYPCYTGKYQZKKB-UWVGGRQHSA-N 2 0 318.284 2.146 10 0 DEAERP COCC[NH2+]Cc1c(Cl)cccc1N1CC[C@H]([NH+](C)C)C1 ZINC000062967055 184263217 /nfs/dbraw/zinc/26/32/17/184263217.db2.gz NOGWWDXNPUVSPM-ZDUSSCGKSA-N 2 0 311.857 2.216 10 0 DEAERP C[C@@H](CC(N)=[NH2+])[N@H+](C)CCOc1ccc(Br)cc1 ZINC000063092284 184270073 /nfs/dbraw/zinc/27/00/73/184270073.db2.gz QSEPURNCHYPJLN-JTQLQIEISA-N 2 0 314.227 2.474 10 0 DEAERP CC[NH2+][C@H](CC)c1c(Br)cnn1CC[NH+](C)C ZINC000158736558 197298162 /nfs/dbraw/zinc/29/81/62/197298162.db2.gz YLXLYEGJHAZRPT-LLVKDONJSA-N 2 0 303.248 2.268 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156277531 197100888 /nfs/dbraw/zinc/10/08/88/197100888.db2.gz IFPAJPBDVDYJFO-IRXDYDNUSA-N 2 0 324.513 2.377 10 0 DEAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2ccc(F)cc2)[C@H]2CCCO[C@H]12 ZINC000503716205 257209511 /nfs/dbraw/zinc/20/95/11/257209511.db2.gz FJCKEDGBPJKYGA-KSZLIROESA-N 2 0 322.424 2.136 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000358188811 133127362 /nfs/dbraw/zinc/12/73/62/133127362.db2.gz LSWPJPIKFSVDFK-QGZVFWFLSA-N 2 0 322.497 2.058 10 0 DEAERP O=C([C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2)N1CCCCC1 ZINC000261993945 304301232 /nfs/dbraw/zinc/30/12/32/304301232.db2.gz SPZSDUVGTXBPAZ-KRWDZBQOSA-N 2 0 319.493 2.101 10 0 DEAERP CC(C)[NH+]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246756405 145113090 /nfs/dbraw/zinc/11/30/90/145113090.db2.gz BPXPZWKRLJWZRX-QZWWFDLISA-N 2 0 324.513 2.135 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261754573 145222504 /nfs/dbraw/zinc/22/25/04/145222504.db2.gz PGTFIPAQTVCDHD-KSZLIROESA-N 2 0 319.493 2.242 10 0 DEAERP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261805734 145227912 /nfs/dbraw/zinc/22/79/12/145227912.db2.gz HIMKKMUELKYRPX-CVEARBPZSA-N 2 0 301.434 2.337 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C12CCCC2 ZINC000262017827 145253619 /nfs/dbraw/zinc/25/36/19/145253619.db2.gz WIILEQGQYQIVBS-OBVSXPTNSA-N 2 0 322.493 2.471 10 0 DEAERP O[C@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)ccc1OC1CCCC1 ZINC000262067598 145259322 /nfs/dbraw/zinc/25/93/22/145259322.db2.gz BKHTYEVVRWDOGE-CJNGLKHVSA-N 2 0 324.852 2.331 10 0 DEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000262116167 145262745 /nfs/dbraw/zinc/26/27/45/145262745.db2.gz LDBJABMDCHJAHA-XHDPSFHLSA-N 2 0 306.406 2.224 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127327061 401729294 /nfs/dbraw/zinc/72/92/94/401729294.db2.gz ZZIPBMUDHBIPJX-HOCLYGCPSA-N 2 0 322.497 2.033 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000113579966 401782601 /nfs/dbraw/zinc/78/26/01/401782601.db2.gz UZKXBPCZLNZZRI-JKSUJKDBSA-N 2 0 322.497 2.129 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000078434389 401850929 /nfs/dbraw/zinc/85/09/29/401850929.db2.gz XNKSYCJXBCXYTD-RDJZCZTQSA-N 2 0 320.481 2.319 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000078434399 401850934 /nfs/dbraw/zinc/85/09/34/401850934.db2.gz XNKSYCJXBCXYTD-NVXWUHKLSA-N 2 0 320.481 2.319 10 0 DEAERP CCC[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000135516370 401943220 /nfs/dbraw/zinc/94/32/20/401943220.db2.gz HXFJGDITFWWHQD-MAUKXSAKSA-N 2 0 317.477 2.280 10 0 DEAERP COc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121140552 402016974 /nfs/dbraw/zinc/01/69/74/402016974.db2.gz SVFYZNOQXRGPIX-HNNXBMFYSA-N 2 0 306.450 2.220 10 0 DEAERP CC[C@@H](COC)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000151941177 402067120 /nfs/dbraw/zinc/06/71/20/402067120.db2.gz XZZBNAUQAUZKCB-OALUTQOASA-N 2 0 320.477 2.447 10 0 DEAERP C(C[NH+]1CCCCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000125166256 402217245 /nfs/dbraw/zinc/21/72/45/402217245.db2.gz NZSSLGBIJTWEMM-GOSISDBHSA-N 2 0 309.498 2.049 10 0 DEAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000154833210 402234560 /nfs/dbraw/zinc/23/45/60/402234560.db2.gz KZJPVVITJJUPFA-IBGZPJMESA-N 2 0 317.477 2.498 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000126267200 402272347 /nfs/dbraw/zinc/27/23/47/402272347.db2.gz WANWDQYZZFAIOC-HNNXBMFYSA-N 2 0 312.502 2.090 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000176296237 402297587 /nfs/dbraw/zinc/29/75/87/402297587.db2.gz WIIXEGYPZANUCG-QGZVFWFLSA-N 2 0 324.513 2.234 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000176297103 402297805 /nfs/dbraw/zinc/29/78/05/402297805.db2.gz WPIZLHWCZOIPCT-QGZVFWFLSA-N 2 0 324.513 2.377 10 0 DEAERP CC(C)N1CCC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000177705294 402428550 /nfs/dbraw/zinc/42/85/50/402428550.db2.gz KQORMHTUSQJJCW-QGZVFWFLSA-N 2 0 307.482 2.194 10 0 DEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000186786472 402464264 /nfs/dbraw/zinc/46/42/64/402464264.db2.gz ZSBNUIDLZVMNGN-NXHRZFHOSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000165016572 402472058 /nfs/dbraw/zinc/47/20/58/402472058.db2.gz COVYNIOAOOYWFK-ADHGMGHFSA-N 2 0 321.509 2.391 10 0 DEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245898344 402495355 /nfs/dbraw/zinc/49/53/55/402495355.db2.gz REOXWPFYWXGLRQ-ZACQAIPSSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000246797664 402545332 /nfs/dbraw/zinc/54/53/32/402545332.db2.gz BRTIDGKNTZSVPK-HOCLYGCPSA-N 2 0 322.497 2.127 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246335238 402525939 /nfs/dbraw/zinc/52/59/39/402525939.db2.gz DEOIXQBACOXTDU-JYJNAYRXSA-N 2 0 312.502 2.088 10 0 DEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246472372 402532413 /nfs/dbraw/zinc/53/24/13/402532413.db2.gz VLQZBYIEUHHENU-QZWWFDLISA-N 2 0 324.513 2.231 10 0 DEAERP Cc1nc(C)n(C[C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000179270301 402583619 /nfs/dbraw/zinc/58/36/19/402583619.db2.gz FRFIFCVWEAGACE-KRWDZBQOSA-N 2 0 305.470 2.093 10 0 DEAERP CCCCOC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248652327 402601737 /nfs/dbraw/zinc/60/17/37/402601737.db2.gz NSSZJYTYKRQZCS-SOLBZPMBSA-N 2 0 312.498 2.407 10 0 DEAERP C[C@H]1CCN(Cc2nnc(C3CCC3)n2C)C[C@@H]1n1ccnc1 ZINC000181509045 402647894 /nfs/dbraw/zinc/64/78/94/402647894.db2.gz IENAPXGAHHQPFV-ZFWWWQNUSA-N 2 0 314.437 2.362 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173669312 402707558 /nfs/dbraw/zinc/70/75/58/402707558.db2.gz UFCPMOALFPLLQL-NVXWUHKLSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544244 402713838 /nfs/dbraw/zinc/71/38/38/402713838.db2.gz ISAQTBREBDLJFL-NEPXVJNWSA-N 2 0 301.478 2.485 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173828826 402714526 /nfs/dbraw/zinc/71/45/26/402714526.db2.gz ZAHUOAMEKRSMDL-ZACQAIPSSA-N 2 0 324.513 2.373 10 0 DEAERP Cc1cc(F)ccc1N1CCC[C@H](N2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261915692 402719650 /nfs/dbraw/zinc/71/96/50/402719650.db2.gz YBCJDYMDNXLNRZ-WMZOPIPTSA-N 2 0 319.424 2.300 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000174174106 402730232 /nfs/dbraw/zinc/73/02/32/402730232.db2.gz GYBVFXJIWMRNNF-IXDOHACOSA-N 2 0 324.513 2.233 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175603759 402820395 /nfs/dbraw/zinc/82/03/95/402820395.db2.gz PGQAODHXFJTKLB-OAHLLOKOSA-N 2 0 324.513 2.423 10 0 DEAERP [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000333647544 403803009 /nfs/dbraw/zinc/80/30/09/403803009.db2.gz JHAFMDCCIBCCRP-GOEBONIOSA-N 2 0 302.422 2.077 10 0 DEAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396392980 405056723 /nfs/dbraw/zinc/05/67/23/405056723.db2.gz ROWLFMMGESXDGU-BQFCYCMXSA-N 2 0 315.461 2.107 10 0 DEAERP c1cc(OCCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCO2 ZINC000420365302 405333771 /nfs/dbraw/zinc/33/37/71/405333771.db2.gz JATXAHPDHHEYPQ-SFHVURJKSA-N 2 0 318.417 2.260 10 0 DEAERP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000556939262 405561555 /nfs/dbraw/zinc/56/15/55/405561555.db2.gz POWICQFIEDENFJ-CQSZACIVSA-N 2 0 314.389 2.037 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638835523 405702806 /nfs/dbraw/zinc/70/28/06/405702806.db2.gz MELRNTSSYHAFKV-SZVBFZGTSA-N 2 0 315.461 2.013 10 0 DEAERP [NH3+][C@@H]1CC=C(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638083074 406559444 /nfs/dbraw/zinc/55/94/44/406559444.db2.gz ZWJGVJNIKYAMAN-GOSISDBHSA-N 2 0 313.445 2.062 10 0 DEAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000384327418 424911132 /nfs/dbraw/zinc/91/11/32/424911132.db2.gz XWVURJYZTVAFNS-RYQLBKOJSA-N 2 0 315.461 2.013 10 0 DEAERP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000155013995 278885293 /nfs/dbraw/zinc/88/52/93/278885293.db2.gz RJODDYCCWQMVLD-WMZOPIPTSA-N 2 0 317.477 2.434 10 0 DEAERP CC[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CC1 ZINC000248137036 279055767 /nfs/dbraw/zinc/05/57/67/279055767.db2.gz XQQYFKKXCTWFTE-AEFFLSMTSA-N 2 0 301.434 2.032 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000074492934 279332694 /nfs/dbraw/zinc/33/26/94/279332694.db2.gz GESXQMZGPVEJSR-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262086789 281241662 /nfs/dbraw/zinc/24/16/62/281241662.db2.gz ULOVINYMXBVUDK-YJBOKZPZSA-N 2 0 316.449 2.040 10 0 DEAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000176609741 289378226 /nfs/dbraw/zinc/37/82/26/289378226.db2.gz ANDVXPFFNXGVDN-RDJZCZTQSA-N 2 0 322.497 2.129 10 0 DEAERP [NH3+]C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237798326 295261030 /nfs/dbraw/zinc/26/10/30/295261030.db2.gz WFNLHQJVSGKWMS-SFHVURJKSA-N 2 0 315.461 2.063 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261641558 297357638 /nfs/dbraw/zinc/35/76/38/297357638.db2.gz CPTJCLRMKUBHRK-QKPAOTATSA-N 2 0 309.498 2.234 10 0 DEAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000374812263 535162056 /nfs/dbraw/zinc/16/20/56/535162056.db2.gz ZJEOFTPKWMMSJU-RDJZCZTQSA-N 2 0 310.482 2.017 10 0 DEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000249088752 536354978 /nfs/dbraw/zinc/35/49/78/536354978.db2.gz NOZUPHJRWQJGSW-RTBURBONSA-N 2 0 323.525 2.030 10 0 DEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000174018499 625681484 /nfs/dbraw/zinc/68/14/84/625681484.db2.gz HGPGYNSUZHYPPN-OAHLLOKOSA-N 2 0 303.450 2.144 10 0 DEAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712606846 792194545 /nfs/dbraw/zinc/19/45/45/792194545.db2.gz FRZOTJCFOSNXAT-SFHVURJKSA-N 2 0 318.461 2.423 10 0 DEAERP CNC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734590 793005161 /nfs/dbraw/zinc/00/51/61/793005161.db2.gz WEPXOBXBVZCEEM-UBDQQSCGSA-N 2 0 315.461 2.154 10 0 DEAERP COCC[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717983575 1081856153 /nfs/dbraw/zinc/85/61/53/1081856153.db2.gz JSABEEUHSPDTBU-QGZVFWFLSA-N 2 0 320.477 2.418 10 0 DEAERP C[C@@H]1OCC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717973338 1081861714 /nfs/dbraw/zinc/86/17/14/1081861714.db2.gz HRRKBTBNSLBCDS-WMZOPIPTSA-N 2 0 318.461 2.171 10 0 DEAERP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000721944807 1085026227 /nfs/dbraw/zinc/02/62/27/1085026227.db2.gz UMTBYCFGXDIAMS-QKPAOTATSA-N 2 0 323.481 2.458 10 0 DEAERP C[C@@H]1CCC[N@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000138087727 282098691 /nfs/dbraw/zinc/09/86/91/282098691.db2.gz IAJHRUYXICNWAF-KLAILNCOSA-N 2 0 324.513 2.138 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000248550980 539774169 /nfs/dbraw/zinc/77/41/69/539774169.db2.gz GNIDFDJYXUPLAY-YJBOKZPZSA-N 2 0 305.441 2.426 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261729108 539787362 /nfs/dbraw/zinc/78/73/62/539787362.db2.gz KSSMRFXSUGLCJL-XMTFNYHQSA-N 2 0 321.509 2.474 10 0 DEAERP C[C@H](CC[NH3+])CCC(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164387013 186158275 /nfs/dbraw/zinc/15/82/75/186158275.db2.gz KPOZDBFHOQZCFM-NSHDSACASA-N 2 0 300.834 2.046 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)OC(C)C)C2)n1 ZINC000173779660 198250492 /nfs/dbraw/zinc/25/04/92/198250492.db2.gz RLGZJVUWLNMISK-OAHLLOKOSA-N 2 0 305.422 2.466 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000073079178 191277730 /nfs/dbraw/zinc/27/77/30/191277730.db2.gz FHSGAUMNRMPCEX-QGZVFWFLSA-N 2 0 305.466 2.454 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382701095 540123912 /nfs/dbraw/zinc/12/39/12/540123912.db2.gz MXSBTFYYHIETCR-KRWDZBQOSA-N 2 0 317.477 2.483 10 0 DEAERP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000398050482 540140540 /nfs/dbraw/zinc/14/05/40/540140540.db2.gz WCVYPVIKWVAMQC-INIZCTEOSA-N 2 0 301.434 2.039 10 0 DEAERP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447552 283156878 /nfs/dbraw/zinc/15/68/78/283156878.db2.gz NXCVKRBBAVDROC-HOCLYGCPSA-N 2 0 323.481 2.483 10 0 DEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000607671307 361103823 /nfs/dbraw/zinc/10/38/23/361103823.db2.gz DDUZNMSMGSXPRH-DZKIICNBSA-N 2 0 321.490 2.199 10 0 DEAERP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188506 365326128 /nfs/dbraw/zinc/32/61/28/365326128.db2.gz RXXORPHGUVXCFS-MOPGFXCFSA-N 2 0 321.509 2.236 10 0 DEAERP CC[N@H+](CC(C)(C)O)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000092983389 193191851 /nfs/dbraw/zinc/19/18/51/193191851.db2.gz IYSFFOJYIQGFDX-KRWDZBQOSA-N 2 0 300.487 2.264 10 0 DEAERP CC[N@H+](CC(C)(C)O)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000092983420 193191917 /nfs/dbraw/zinc/19/19/17/193191917.db2.gz UIUKYSHEYZKYRT-UHFFFAOYSA-N 2 0 300.487 2.122 10 0 DEAERP CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)CC1CC[NH2+]CC1 ZINC000094024936 193339740 /nfs/dbraw/zinc/33/97/40/193339740.db2.gz LJFJINUEMWWIOX-ZDUSSCGKSA-N 2 0 309.479 2.247 10 0 DEAERP CC[NH2+][C@@H]1[C@@H](C[N@H+](CCOC)[C@@H](C)COC)CCC1(C)C ZINC000094317867 193359144 /nfs/dbraw/zinc/35/91/44/193359144.db2.gz CBYNDBZITDWERW-ARFHVFGLSA-N 2 0 300.487 2.384 10 0 DEAERP [NH3+]Cc1ccc(C(F)(F)F)nc1OCC[NH+]1CCCCC1 ZINC000094334488 193360573 /nfs/dbraw/zinc/36/05/73/193360573.db2.gz BTGMAZQMIYDHFZ-UHFFFAOYSA-N 2 0 303.328 2.424 10 0 DEAERP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638890 193388014 /nfs/dbraw/zinc/38/80/14/193388014.db2.gz MHXQFQDJTBRXAA-CVEARBPZSA-N 2 0 316.511 2.054 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489752 193373730 /nfs/dbraw/zinc/37/37/30/193373730.db2.gz GPBKAQCDURCOBR-INMHGKMJSA-N 2 0 311.539 2.406 10 0 DEAERP c1cc2c(c(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c1)OCO2 ZINC000530248080 284385370 /nfs/dbraw/zinc/38/53/70/284385370.db2.gz FPSRPKPRUNUCMC-MRXNPFEDSA-N 2 0 318.417 2.006 10 0 DEAERP CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCCN(C(C)=O)CC1 ZINC000043248985 183346540 /nfs/dbraw/zinc/34/65/40/183346540.db2.gz FBBPWCASFJCEBX-HUUCEWRRSA-N 2 0 309.479 2.389 10 0 DEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000111132888 194394337 /nfs/dbraw/zinc/39/43/37/194394337.db2.gz PGFBFESCGMRAHV-ZDUSSCGKSA-N 2 0 305.344 2.078 10 0 DEAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000061236505 184166666 /nfs/dbraw/zinc/16/66/66/184166666.db2.gz VPUJWVDSDIKFFW-CQSZACIVSA-N 2 0 309.479 2.028 10 0 DEAERP C[NH+]1CCN(c2nc3sccn3c2C[NH2+]C(C)(C)C)CC1 ZINC000062734219 184251084 /nfs/dbraw/zinc/25/10/84/184251084.db2.gz TZBORZSEFWHXTA-UHFFFAOYSA-N 2 0 307.467 2.036 10 0 DEAERP CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000158991095 197317517 /nfs/dbraw/zinc/31/75/17/197317517.db2.gz DTXCLPIVPHQDPC-MSOLQXFVSA-N 2 0 317.477 2.498 10 0 DEAERP CCC[NH2+][C@@H](C)c1c(Br)cnn1CC[NH+](C)C ZINC000158739470 197298189 /nfs/dbraw/zinc/29/81/89/197298189.db2.gz RTDHXYMSVIZESO-JTQLQIEISA-N 2 0 303.248 2.268 10 0 DEAERP CC(C)[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@H+](C)CCOC(C)C ZINC000157771716 197214384 /nfs/dbraw/zinc/21/43/84/197214384.db2.gz CYVYITHVTSVHBH-IAGOWNOFSA-N 2 0 300.487 2.263 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245908790 285265116 /nfs/dbraw/zinc/26/51/16/285265116.db2.gz IOGDMYSUGLURDD-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000178829020 144866399 /nfs/dbraw/zinc/86/63/99/144866399.db2.gz BTWGKGNOEKOBRJ-LSDHHAIUSA-N 2 0 307.482 2.417 10 0 DEAERP C[NH+]1CCC(C[NH2+]Cc2ccc(F)nc2)(N2CCCCC2)CC1 ZINC000189130966 145022609 /nfs/dbraw/zinc/02/26/09/145022609.db2.gz VBZAKVHPCJPKCE-UHFFFAOYSA-N 2 0 320.456 2.261 10 0 DEAERP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCOCC2 ZINC000248998780 145175102 /nfs/dbraw/zinc/17/51/02/145175102.db2.gz PVBVGPOHFRUYPJ-VEDBGLOESA-N 2 0 308.466 2.175 10 0 DEAERP CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000261620404 145211456 /nfs/dbraw/zinc/21/14/56/145211456.db2.gz CBDLDIHESAWQPE-UHFFFAOYSA-N 2 0 323.440 2.217 10 0 DEAERP CC1(C)C[N@H+](CCC(=O)NCc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000261811013 145229284 /nfs/dbraw/zinc/22/92/84/145229284.db2.gz WTYNGIRSHLXDLK-HNNXBMFYSA-N 2 0 323.868 2.406 10 0 DEAERP Cc1cccc(C(=O)N2CCCN(C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261922361 145241582 /nfs/dbraw/zinc/24/15/82/145241582.db2.gz BUHSFPHEOJWGGD-LJQANCHMSA-N 2 0 315.461 2.143 10 0 DEAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCCCC1 ZINC000261934567 145244156 /nfs/dbraw/zinc/24/41/56/145244156.db2.gz KBPRHKDOMIRVCO-PMPSAXMXSA-N 2 0 307.482 2.288 10 0 DEAERP Cc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261936065 145244187 /nfs/dbraw/zinc/24/41/87/145244187.db2.gz KHXVTVVXQSKOOE-KRWDZBQOSA-N 2 0 301.434 2.398 10 0 DEAERP C[N@@H+](Cc1cnc(N)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000261946470 145245529 /nfs/dbraw/zinc/24/55/29/145245529.db2.gz FKFAJSFRWMYYRC-UHFFFAOYSA-N 2 0 317.462 2.469 10 0 DEAERP [NH3+]Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000263073621 145322859 /nfs/dbraw/zinc/32/28/59/145322859.db2.gz ZZHBZKFKJITNBH-MWLCHTKSSA-N 2 0 301.312 2.230 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)C[C@@H]1C ZINC000358648668 147173460 /nfs/dbraw/zinc/17/34/60/147173460.db2.gz MSBDCVWUUWGYTM-DLBZAZTESA-N 2 0 322.497 2.153 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085362897 401914525 /nfs/dbraw/zinc/91/45/25/401914525.db2.gz ATRZJDNPSJNUJR-CABCVRRESA-N 2 0 314.518 2.238 10 0 DEAERP C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C[NH+](C)C ZINC000085362328 401914666 /nfs/dbraw/zinc/91/46/66/401914666.db2.gz CSJLHTPQEUGUCW-HNSVSWJLSA-N 2 0 324.513 2.277 10 0 DEAERP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000124398365 402178288 /nfs/dbraw/zinc/17/82/88/402178288.db2.gz LFBUCOMOBFNXQX-SJORKVTESA-N 2 0 324.513 2.233 10 0 DEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000109752266 402275154 /nfs/dbraw/zinc/27/51/54/402275154.db2.gz FAUSTLJRFQJUQK-IBGZPJMESA-N 2 0 301.478 2.331 10 0 DEAERP COc1ccc([C@@H](C)C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185864905 402384088 /nfs/dbraw/zinc/38/40/88/402384088.db2.gz MGIDDMVTGPWWKY-IRXDYDNUSA-N 2 0 319.493 2.414 10 0 DEAERP C[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000186506779 402437443 /nfs/dbraw/zinc/43/74/43/402437443.db2.gz POSBJYAAOPIRNN-JLJPHGGASA-N 2 0 301.434 2.066 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000177333361 402392174 /nfs/dbraw/zinc/39/21/74/402392174.db2.gz XXEIFJPIQORUJE-OAHLLOKOSA-N 2 0 324.513 2.421 10 0 DEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246099618 402510030 /nfs/dbraw/zinc/51/00/30/402510030.db2.gz HCIVTRSFWWNORE-BRWVUGGUSA-N 2 0 324.513 2.231 10 0 DEAERP CN(C(=O)[C@H]1CCC[C@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000167668180 402493217 /nfs/dbraw/zinc/49/32/17/402493217.db2.gz HSWWAPHREYXKRU-ZWKOTPCHSA-N 2 0 315.461 2.237 10 0 DEAERP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000168766669 402498841 /nfs/dbraw/zinc/49/88/41/402498841.db2.gz UURHDQQYGKSHMY-LSDHHAIUSA-N 2 0 319.449 2.473 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247125275 402557431 /nfs/dbraw/zinc/55/74/31/402557431.db2.gz RZPBPZAVXDACLB-YLFCFFPRSA-N 2 0 322.497 2.127 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCNC2=O)C1 ZINC000179062813 402569280 /nfs/dbraw/zinc/56/92/80/402569280.db2.gz NLRFFVFYALFZLK-RVKKMQEKSA-N 2 0 315.461 2.143 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833473 402531127 /nfs/dbraw/zinc/53/11/27/402531127.db2.gz KYFGSLWHQRDITR-XHSDSOJGSA-N 2 0 324.513 2.088 10 0 DEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246472394 402532449 /nfs/dbraw/zinc/53/24/49/402532449.db2.gz VLQZBYIEUHHENU-YYIAUSFCSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560024 402595664 /nfs/dbraw/zinc/59/56/64/402595664.db2.gz JFKNBGKIDGOUHU-YQQAZPJKSA-N 2 0 312.498 2.405 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171633513 402603918 /nfs/dbraw/zinc/60/39/18/402603918.db2.gz XLWYCXFNRSJAGQ-DLBZAZTESA-N 2 0 324.513 2.233 10 0 DEAERP c1cn(-c2ccccc2)c(C[NH2+]CCCC[NH+]2CCOCC2)n1 ZINC000190774684 402622248 /nfs/dbraw/zinc/62/22/48/402622248.db2.gz LORPHAVJELLWLZ-UHFFFAOYSA-N 2 0 314.433 2.074 10 0 DEAERP CCC(CC)(CNC(=O)C1C[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000263294823 402755402 /nfs/dbraw/zinc/75/54/02/402755402.db2.gz MERHKMSIMPKWNF-CQSZACIVSA-N 2 0 303.450 2.232 10 0 DEAERP CC(=O)[C@@](C)(O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347752643 403846633 /nfs/dbraw/zinc/84/66/33/403846633.db2.gz KFQCTQIVIAKXCH-IBGZPJMESA-N 2 0 318.461 2.170 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000369879608 404259743 /nfs/dbraw/zinc/25/97/43/404259743.db2.gz BOMZDVZBMJAJQS-SJORKVTESA-N 2 0 322.497 2.034 10 0 DEAERP c1cncc(C[NH2+]CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414857270 404749961 /nfs/dbraw/zinc/74/99/61/404749961.db2.gz CHYDDTBYXMVUER-KURKYZTESA-N 2 0 302.466 2.072 10 0 DEAERP c1ccc(CC[NH+]2CCC(NCCC[NH+]3CCC3)CC2)cc1 ZINC000568236278 292324579 /nfs/dbraw/zinc/32/45/79/292324579.db2.gz GMDIVQCWYGRXNB-UHFFFAOYSA-N 2 0 301.478 2.379 10 0 DEAERP c1nc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378953 405338213 /nfs/dbraw/zinc/33/82/13/405338213.db2.gz UURKKIMUMUCYKZ-HOTGVXAUSA-N 2 0 302.466 2.398 10 0 DEAERP CC[NH+](CC)CC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446616665 405386497 /nfs/dbraw/zinc/38/64/97/405386497.db2.gz DJMANFJADFVRDT-UHFFFAOYSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638835520 405703074 /nfs/dbraw/zinc/70/30/74/405703074.db2.gz MELRNTSSYHAFKV-AYBZRNKSSA-N 2 0 315.461 2.013 10 0 DEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1=CCOCC1 ZINC000423161861 405708038 /nfs/dbraw/zinc/70/80/38/405708038.db2.gz SPXMCRCYWJQPLB-AEFFLSMTSA-N 2 0 300.402 2.179 10 0 DEAERP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000638852527 405715568 /nfs/dbraw/zinc/71/55/68/405715568.db2.gz YCJHKXMOWFHFET-MSOLQXFVSA-N 2 0 315.461 2.299 10 0 DEAERP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000155013900 292368691 /nfs/dbraw/zinc/36/86/91/292368691.db2.gz RJODDYCCWQMVLD-FUHWJXTLSA-N 2 0 317.477 2.434 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724288 406248611 /nfs/dbraw/zinc/24/86/11/406248611.db2.gz NIFKNXAJBWHOMZ-QXAKKESOSA-N 2 0 320.477 2.130 10 0 DEAERP C([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635012405 406399234 /nfs/dbraw/zinc/39/92/34/406399234.db2.gz MIVCMFAZIHALBH-BSDSXHPESA-N 2 0 322.493 2.473 10 0 DEAERP C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570918411 406454961 /nfs/dbraw/zinc/45/49/61/406454961.db2.gz IBRIRFVNDXTUMY-UHOSZYNNSA-N 2 0 301.478 2.486 10 0 DEAERP C[C@@H](C[NH2+][C@H](C)CCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000187404619 286878520 /nfs/dbraw/zinc/87/85/20/286878520.db2.gz GOKALONPOXLUKB-QZTJIDSGSA-N 2 0 303.494 2.481 10 0 DEAERP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000129209405 196029595 /nfs/dbraw/zinc/02/95/95/196029595.db2.gz MKVKCFXQPBVZSZ-IKGGRYGDSA-N 2 0 324.513 2.233 10 0 DEAERP [NH3+]C1CC[NH+]([C@H]2CCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000130810442 196112456 /nfs/dbraw/zinc/11/24/56/196112456.db2.gz FANPFGXNCCGHGX-HNNXBMFYSA-N 2 0 311.832 2.477 10 0 DEAERP CCC(CC)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)[NH+]1CCCC1 ZINC000132302752 196243123 /nfs/dbraw/zinc/24/31/23/196243123.db2.gz HHGUFXKUOSYBSD-MRXNPFEDSA-N 2 0 310.486 2.020 10 0 DEAERP c1ccc(-c2noc(CCCN3CCC4(CC[NH2+]4)CC3)n2)cc1 ZINC000422625674 230158587 /nfs/dbraw/zinc/15/85/87/230158587.db2.gz CHMGMALVWDMZCL-UHFFFAOYSA-N 2 0 312.417 2.497 10 0 DEAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121249479 424853555 /nfs/dbraw/zinc/85/35/55/424853555.db2.gz NBPRYOBBIIYJIZ-ULQDDVLXSA-N 2 0 308.466 2.036 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404327777 424926646 /nfs/dbraw/zinc/92/66/46/424926646.db2.gz WWQUTZLZERHSQM-SJLPKXTDSA-N 2 0 317.477 2.484 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303208610 424892716 /nfs/dbraw/zinc/89/27/16/424892716.db2.gz XQQUKJDWEHMDID-BZSNNMDCSA-N 2 0 315.461 2.142 10 0 DEAERP c1ccc(C[N@@H+]2CCCO[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619066 269098107 /nfs/dbraw/zinc/09/81/07/269098107.db2.gz YZNGCNAMQAKGEA-OALUTQOASA-N 2 0 317.477 2.009 10 0 DEAERP COCC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486150 269106705 /nfs/dbraw/zinc/10/67/05/269106705.db2.gz CCPOIJYLQBKWGJ-INIZCTEOSA-N 2 0 306.450 2.028 10 0 DEAERP CC(C)c1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261969975 276055536 /nfs/dbraw/zinc/05/55/36/276055536.db2.gz PYAFPQCNGGDNGC-OAHLLOKOSA-N 2 0 303.450 2.235 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000358657459 276182160 /nfs/dbraw/zinc/18/21/60/276182160.db2.gz COSLVXOFFINKPG-KRWDZBQOSA-N 2 0 322.497 2.058 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184831324 279143635 /nfs/dbraw/zinc/14/36/35/279143635.db2.gz FXDSUPIYMWPZNQ-HOTGVXAUSA-N 2 0 312.502 2.280 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246410845 279333232 /nfs/dbraw/zinc/33/32/32/279333232.db2.gz SAGFMAHGHWERFH-IKGGRYGDSA-N 2 0 322.497 2.127 10 0 DEAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000174583504 289315450 /nfs/dbraw/zinc/31/54/50/289315450.db2.gz FCKXKICYNHJOEE-QZTJIDSGSA-N 2 0 315.461 2.204 10 0 DEAERP C[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])cc2)C2(CCCCC2)C1 ZINC000237199542 290030491 /nfs/dbraw/zinc/03/04/91/290030491.db2.gz YGBXOEGQVGMUGW-UHFFFAOYSA-N 2 0 301.434 2.236 10 0 DEAERP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000170794129 297018319 /nfs/dbraw/zinc/01/83/19/297018319.db2.gz BWJHEYZRPOCLNR-KSZLIROESA-N 2 0 309.498 2.046 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105241777 521645955 /nfs/dbraw/zinc/64/59/55/521645955.db2.gz AXGGAXMOIRAHFU-QGZVFWFLSA-N 2 0 324.513 2.378 10 0 DEAERP CCSCC[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000355757597 535685510 /nfs/dbraw/zinc/68/55/10/535685510.db2.gz TYWZEDLRDXYLFS-UHFFFAOYSA-N 2 0 307.507 2.147 10 0 DEAERP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000261605186 535913270 /nfs/dbraw/zinc/91/32/70/535913270.db2.gz AFUCQWDUSCVPFD-MRXNPFEDSA-N 2 0 319.449 2.344 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000745701311 638284298 /nfs/dbraw/zinc/28/42/98/638284298.db2.gz ZEVORLGLCQWNTF-MRXNPFEDSA-N 2 0 324.513 2.282 10 0 DEAERP C[C@@H]1OC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000405625706 802075570 /nfs/dbraw/zinc/07/55/70/802075570.db2.gz QTWGBJAXDANFEC-RYRKJORJSA-N 2 0 318.461 2.027 10 0 DEAERP CCO[C@@H]1C[N@H+](C[C@@H](C)COCc2ccccc2)C[C@H]1C[NH3+] ZINC000719396200 1089084575 /nfs/dbraw/zinc/08/45/75/1089084575.db2.gz FKYVJWYVLSCRTE-KBAYOESNSA-N 2 0 306.450 2.135 10 0 DEAERP C[NH2+]CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000719690086 1092457799 /nfs/dbraw/zinc/45/77/99/1092457799.db2.gz GRXBTFKVGLPROH-GOSISDBHSA-N 2 0 317.477 2.405 10 0 DEAERP CC(C)C[C@@H](C[NH3+])CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000088277982 185244628 /nfs/dbraw/zinc/24/46/28/185244628.db2.gz ARHGXUULHZDZKP-ZIAGYGMSSA-N 2 0 311.495 2.478 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1nc2sccn2c1C[NH2+]C ZINC000092633210 185330439 /nfs/dbraw/zinc/33/04/39/185330439.db2.gz DFGJESJKXKHLAX-GFCCVEGCSA-N 2 0 307.467 2.036 10 0 DEAERP CC[NH2+][C@H](Cc1ccc(Cl)cc1)C[C@@H]1C[N@H+](C)CCN1C ZINC000149610627 186051353 /nfs/dbraw/zinc/05/13/53/186051353.db2.gz OTDKRTUKDLUZSO-IAGOWNOFSA-N 2 0 309.885 2.497 10 0 DEAERP C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1n1ccnc1 ZINC000183904240 186229451 /nfs/dbraw/zinc/22/94/51/186229451.db2.gz GSGKCQJLGWXWQX-XJKSGUPXSA-N 2 0 313.405 2.067 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000302966404 539861046 /nfs/dbraw/zinc/86/10/46/539861046.db2.gz WANXACUDAYNDEC-KRWDZBQOSA-N 2 0 315.461 2.157 10 0 DEAERP C[N@H+](C[C@@H](C(N)=S)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000080797768 192191605 /nfs/dbraw/zinc/19/16/05/192191605.db2.gz FBOFPZCYNGMKMB-MRXNPFEDSA-N 2 0 305.491 2.330 10 0 DEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262655641 356343105 /nfs/dbraw/zinc/34/31/05/356343105.db2.gz CNGXBZDAGKWUDJ-YOEHRIQHSA-N 2 0 303.450 2.270 10 0 DEAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000400760677 283158525 /nfs/dbraw/zinc/15/85/25/283158525.db2.gz YBQYFCVDEKZJSU-RBSFLKMASA-N 2 0 313.486 2.419 10 0 DEAERP CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236844259 202035185 /nfs/dbraw/zinc/03/51/85/202035185.db2.gz JDPQIHWRMXFCIR-IKGGRYGDSA-N 2 0 307.482 2.145 10 0 DEAERP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000237044161 202133583 /nfs/dbraw/zinc/13/35/83/202133583.db2.gz PKKXRFZEJRHVPU-DZKIICNBSA-N 2 0 307.438 2.296 10 0 DEAERP [NH3+]Cc1nc2cc(Oc3ccc4[nH]c(C[NH3+])nc4c3)ccc2[nH]1 ZINC000006813652 181394351 /nfs/dbraw/zinc/39/43/51/181394351.db2.gz OIZFZQVYJDIEEK-UHFFFAOYSA-N 2 0 308.345 2.149 10 0 DEAERP C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631844271 368421196 /nfs/dbraw/zinc/42/11/96/368421196.db2.gz WDHIKHNDPWZWOL-NWDGAFQWSA-N 2 0 313.239 2.355 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093782961 193307751 /nfs/dbraw/zinc/30/77/51/193307751.db2.gz XGYWVPLAKISYGJ-IAGOWNOFSA-N 2 0 300.487 2.264 10 0 DEAERP CSC1(C[NH3+])CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094364765 193366060 /nfs/dbraw/zinc/36/60/60/193366060.db2.gz RCELGEAJGCTUJC-UONOGXRCSA-N 2 0 316.536 2.197 10 0 DEAERP C[NH2+][C@@H]1CCCc2nc(N3CC[N@@H+]4CCCC[C@@H]4C3)sc21 ZINC000094444105 193369952 /nfs/dbraw/zinc/36/99/52/193369952.db2.gz NFNDNPGDWPLXLB-CHWSQXEVSA-N 2 0 306.479 2.414 10 0 DEAERP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453383342 245104125 /nfs/dbraw/zinc/10/41/25/245104125.db2.gz SMFNWWREVXMGTH-LEUOFYLZSA-N 2 0 315.461 2.296 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000104773249 194037086 /nfs/dbraw/zinc/03/70/86/194037086.db2.gz RJIADYCLNIBHPZ-HNNXBMFYSA-N 2 0 310.486 2.034 10 0 DEAERP CC[C@H](c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@@H+]1C)N1CC[NH2+]CC1 ZINC000109472469 194267497 /nfs/dbraw/zinc/26/74/97/194267497.db2.gz OUGDXGSIHQZEDU-IACUBPJLSA-N 2 0 306.479 2.191 10 0 DEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000111131048 194393425 /nfs/dbraw/zinc/39/34/25/194393425.db2.gz HSCGLXMTNNTNTR-JTQLQIEISA-N 2 0 320.300 2.394 10 0 DEAERP C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CC[NH+](C)C ZINC000111130501 194393650 /nfs/dbraw/zinc/39/36/50/194393650.db2.gz SHSXFDGHEZGJJV-JOYOIKCWSA-N 2 0 320.300 2.392 10 0 DEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062709474 184248791 /nfs/dbraw/zinc/24/87/91/184248791.db2.gz QUOFOVAWJMRNNI-CQSZACIVSA-N 2 0 301.356 2.131 10 0 DEAERP CCCC1(C[NH+]2CCN(c3nccs3)CC2)CC[NH2+]CC1 ZINC000062850556 184256731 /nfs/dbraw/zinc/25/67/31/184256731.db2.gz OIZMYUYYYGJGDS-UHFFFAOYSA-N 2 0 308.495 2.435 10 0 DEAERP CC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCC[NH2+]C1 ZINC000062859196 184257019 /nfs/dbraw/zinc/25/70/19/184257019.db2.gz JNTFJMYSJMHHGQ-CJNGLKHVSA-N 2 0 309.479 2.247 10 0 DEAERP CC[NH2+]Cc1sc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc1CC ZINC000062942724 184261864 /nfs/dbraw/zinc/26/18/64/184261864.db2.gz OVMMDPWINODIIO-CYBMUJFWSA-N 2 0 308.495 2.490 10 0 DEAERP CC[N@H+](C)CCn1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000158419131 197270686 /nfs/dbraw/zinc/27/06/86/197270686.db2.gz BUVZVOIKUFLFFU-UHFFFAOYSA-N 2 0 315.190 2.472 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245665502 285285765 /nfs/dbraw/zinc/28/57/65/285285765.db2.gz DTGIJHDXPMPGTF-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121782994 195346053 /nfs/dbraw/zinc/34/60/53/195346053.db2.gz XUVTZECXSKZSNX-QQFBHYJXSA-N 2 0 312.502 2.136 10 0 DEAERP C[C@@H]1CCC[C@@](CNC(=O)CC2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000362605751 133241299 /nfs/dbraw/zinc/24/12/99/133241299.db2.gz IIMSQWMJLZMZPI-CRAIPNDOSA-N 2 0 309.498 2.345 10 0 DEAERP C[C@H]1C[N@H+](CCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703254 133246401 /nfs/dbraw/zinc/24/64/01/133246401.db2.gz PSHRBWKSGOPLCS-PKOBYXMFSA-N 2 0 301.478 2.187 10 0 DEAERP C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261722319 145220610 /nfs/dbraw/zinc/22/06/10/145220610.db2.gz LQLGKCKRCANCGX-TXEJJXNPSA-N 2 0 305.397 2.283 10 0 DEAERP C[C@]1(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC[NH2+]C1 ZINC000261926837 145242364 /nfs/dbraw/zinc/24/23/64/145242364.db2.gz CINHEHCETHJUOA-SFHVURJKSA-N 2 0 307.482 2.147 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000247564871 297093957 /nfs/dbraw/zinc/09/39/57/297093957.db2.gz VKDIEMZWQDBXAL-BZUAXINKSA-N 2 0 324.513 2.231 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073722621 401720520 /nfs/dbraw/zinc/72/05/20/401720520.db2.gz VFPABFYCNGMQIQ-YNBOMUFVSA-N 2 0 324.513 2.277 10 0 DEAERP CC1CC[NH+](CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000126749219 401706800 /nfs/dbraw/zinc/70/68/00/401706800.db2.gz FOOOSEAKZIUWQQ-KRWDZBQOSA-N 2 0 303.450 2.137 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000113231448 401771294 /nfs/dbraw/zinc/77/12/94/401771294.db2.gz STNDPNAHEWOQOP-WMLDXEAASA-N 2 0 301.434 2.057 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000121082707 402014129 /nfs/dbraw/zinc/01/41/29/402014129.db2.gz FLLCKASCHDJIRJ-CYBMUJFWSA-N 2 0 312.404 2.489 10 0 DEAERP CCCCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151114079 402016907 /nfs/dbraw/zinc/01/69/07/402016907.db2.gz SHXFYIZSDHQYKD-INIZCTEOSA-N 2 0 318.465 2.430 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000052497296 402043038 /nfs/dbraw/zinc/04/30/38/402043038.db2.gz GEQZDNUDEHNVQP-CYBMUJFWSA-N 2 0 310.486 2.079 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000123608814 402137836 /nfs/dbraw/zinc/13/78/36/402137836.db2.gz ABARQJLBKWJTRM-RDJZCZTQSA-N 2 0 324.513 2.136 10 0 DEAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cnccn1 ZINC000124685922 402191665 /nfs/dbraw/zinc/19/16/65/402191665.db2.gz OZMIDDMUMATHPH-INIZCTEOSA-N 2 0 317.481 2.078 10 0 DEAERP CC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128318 402212708 /nfs/dbraw/zinc/21/27/08/402212708.db2.gz QQQUWEONJFNDJN-IBGZPJMESA-N 2 0 318.461 2.343 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000126267381 402272083 /nfs/dbraw/zinc/27/20/83/402272083.db2.gz WANWDQYZZFAIOC-OAHLLOKOSA-N 2 0 312.502 2.090 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176060274 402274746 /nfs/dbraw/zinc/27/47/46/402274746.db2.gz NEVJYUUIVFGDAT-IAGOWNOFSA-N 2 0 324.513 2.280 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000176139617 402282577 /nfs/dbraw/zinc/28/25/77/402282577.db2.gz SUZSQFKDQBPURO-INIZCTEOSA-N 2 0 312.502 2.231 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000176278119 402296152 /nfs/dbraw/zinc/29/61/52/402296152.db2.gz ZHGWEIBGFARXDE-IAGOWNOFSA-N 2 0 324.513 2.233 10 0 DEAERP CCOCCN1CC[N@H+](CCCCn2ccnc2C)C[C@@H]1C ZINC000161676704 402395223 /nfs/dbraw/zinc/39/52/23/402395223.db2.gz BFIVQIRVEMEMKJ-INIZCTEOSA-N 2 0 308.470 2.014 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000245444272 402461035 /nfs/dbraw/zinc/46/10/35/402461035.db2.gz XYCRNLQACXSKQO-MSOLQXFVSA-N 2 0 315.461 2.447 10 0 DEAERP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245681296 402478654 /nfs/dbraw/zinc/47/86/54/402478654.db2.gz VGZVNMNPEHEAOQ-IRXDYDNUSA-N 2 0 318.465 2.071 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000246721414 402542017 /nfs/dbraw/zinc/54/20/17/402542017.db2.gz YSJAVPPKEXXTBQ-GVDBMIGSSA-N 2 0 324.513 2.088 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178688083 402526415 /nfs/dbraw/zinc/52/64/15/402526415.db2.gz WAFOKBIQKUUCJH-SJORKVTESA-N 2 0 324.513 2.234 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246438844 402531453 /nfs/dbraw/zinc/53/14/53/402531453.db2.gz KAZLWPJOGCMSCX-OWCLPIDISA-N 2 0 310.486 2.033 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000246485677 402533145 /nfs/dbraw/zinc/53/31/45/402533145.db2.gz VZBFWJTWFZYXCJ-ZACQAIPSSA-N 2 0 322.497 2.129 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(C(C)(C)C)c2)CC1 ZINC000179518060 402592551 /nfs/dbraw/zinc/59/25/51/402592551.db2.gz GVHRIISLTPBHSQ-HNNXBMFYSA-N 2 0 322.497 2.163 10 0 DEAERP CCC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000247855783 402576897 /nfs/dbraw/zinc/57/68/97/402576897.db2.gz XZKPBOPYTUYKHC-BBWFWOEESA-N 2 0 303.450 2.278 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000249611342 402636855 /nfs/dbraw/zinc/63/68/55/402636855.db2.gz LAWVYGARWPNGLL-ZIAGYGMSSA-N 2 0 324.494 2.134 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccco2)N(C)C)CC[N@@H+]1C ZINC000252537987 402658443 /nfs/dbraw/zinc/65/84/43/402658443.db2.gz BWXKWESOHQCYLS-QLFBSQMISA-N 2 0 322.453 2.006 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000173471470 402698789 /nfs/dbraw/zinc/69/87/89/402698789.db2.gz XYCRNLQACXSKQO-QZTJIDSGSA-N 2 0 315.461 2.447 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000174164056 402729549 /nfs/dbraw/zinc/72/95/49/402729549.db2.gz GTLVTKAHVFDSOB-GDBMZVCRSA-N 2 0 324.513 2.373 10 0 DEAERP Cn1cccc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000174581798 402747168 /nfs/dbraw/zinc/74/71/68/402747168.db2.gz PFPRXNKXGPHYQW-UHFFFAOYSA-N 2 0 304.482 2.065 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)C1C[NH2+]C1)c1ccccc1Cl ZINC000263311860 402757375 /nfs/dbraw/zinc/75/73/75/402757375.db2.gz PJMSNKVXJVUTPO-HNNXBMFYSA-N 2 0 309.841 2.059 10 0 DEAERP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739705 402813879 /nfs/dbraw/zinc/81/38/79/402813879.db2.gz KPBSODAWJOWPJJ-HNNXBMFYSA-N 2 0 307.482 2.242 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000194134798 402784933 /nfs/dbraw/zinc/78/49/33/402784933.db2.gz ACJTZDDCHAAZGK-HOTGVXAUSA-N 2 0 310.486 2.034 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000194137045 402785677 /nfs/dbraw/zinc/78/56/77/402785677.db2.gz LAWVYGARWPNGLL-KGLIPLIRSA-N 2 0 324.494 2.134 10 0 DEAERP CO[C@]12CC[N@H+](Cc3cc(C[NH+](C)C)cs3)[C@H]1C[C@H](O)CC2 ZINC000299800062 403578696 /nfs/dbraw/zinc/57/86/96/403578696.db2.gz VHNXDTCIHHZASP-HYVNUMGLSA-N 2 0 324.490 2.314 10 0 DEAERP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000333277757 403714065 /nfs/dbraw/zinc/71/40/65/403714065.db2.gz LTTLMJNTOCKNMV-CVEARBPZSA-N 2 0 302.422 2.025 10 0 DEAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247011833 289379185 /nfs/dbraw/zinc/37/91/85/289379185.db2.gz LIKSNCNISWVQCB-BWNFHQQQSA-N 2 0 322.497 2.174 10 0 DEAERP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@@H]21 ZINC000453032097 405277643 /nfs/dbraw/zinc/27/76/43/405277643.db2.gz IXGXCIHCKFSQOL-MSOLQXFVSA-N 2 0 313.445 2.059 10 0 DEAERP c1ccc(CN2CCCO[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639106904 405885879 /nfs/dbraw/zinc/88/58/79/405885879.db2.gz XBHVYBQOEYMRBM-RBUKOAKNSA-N 2 0 318.461 2.436 10 0 DEAERP COCCC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000177983567 292382075 /nfs/dbraw/zinc/38/20/75/292382075.db2.gz URGDTRXNKBUCFN-KRWDZBQOSA-N 2 0 311.514 2.341 10 0 DEAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(I)c1 ZINC000575439138 424946767 /nfs/dbraw/zinc/94/67/67/424946767.db2.gz PXJJNEDGMALIJB-LLVKDONJSA-N 2 0 304.175 2.420 10 0 DEAERP Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000657493740 425348856 /nfs/dbraw/zinc/34/88/56/425348856.db2.gz IUBUFDBDLJVMCZ-MMIPBJDJSA-N 2 0 320.481 2.350 10 0 DEAERP CC[C@@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847458 269085978 /nfs/dbraw/zinc/08/59/78/269085978.db2.gz SDLGRHXFWFHVNE-MAUKXSAKSA-N 2 0 303.450 2.013 10 0 DEAERP CCOC1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397702374 269106664 /nfs/dbraw/zinc/10/66/64/269106664.db2.gz VRTVUHOIZHUVKO-UHFFFAOYSA-N 2 0 318.461 2.171 10 0 DEAERP CC1CC[NH+](CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000136905405 276195080 /nfs/dbraw/zinc/19/50/80/276195080.db2.gz UCKFREFJIZSWOW-KRWDZBQOSA-N 2 0 307.482 2.195 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCCC2 ZINC000245897872 276352189 /nfs/dbraw/zinc/35/21/89/276352189.db2.gz NLKWDPWJJSCQRT-IXDOHACOSA-N 2 0 310.482 2.161 10 0 DEAERP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000261659324 278522126 /nfs/dbraw/zinc/52/21/26/278522126.db2.gz FCKOJJRCYLEZHL-MNAZLIDISA-N 2 0 307.482 2.084 10 0 DEAERP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000120025011 279097926 /nfs/dbraw/zinc/09/79/26/279097926.db2.gz KHLSCBYYJKZKHF-MRXNPFEDSA-N 2 0 312.502 2.138 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C2)[nH+]1 ZINC000249291212 281245397 /nfs/dbraw/zinc/24/53/97/281245397.db2.gz MKTBBXLYOJNYQH-STQMWFEESA-N 2 0 317.355 2.437 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000185188007 297257385 /nfs/dbraw/zinc/25/73/85/297257385.db2.gz KQJGEEVUOICQQM-CVEARBPZSA-N 2 0 324.513 2.233 10 0 DEAERP c1cc(-c2noc(CN3CC[C@@]4(C3)CCC[NH2+]C4)n2)cs1 ZINC000573001219 326010405 /nfs/dbraw/zinc/01/04/05/326010405.db2.gz HYIZLKAQYFPTMH-HNNXBMFYSA-N 2 0 304.419 2.374 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccsc1Br ZINC000388525157 333320970 /nfs/dbraw/zinc/32/09/70/333320970.db2.gz DKSMRANONHZCPQ-JTQLQIEISA-N 2 0 307.257 2.354 10 0 DEAERP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246255134 527665617 /nfs/dbraw/zinc/66/56/17/527665617.db2.gz KGHLFCGBWPNHTO-BBWFWOEESA-N 2 0 307.482 2.289 10 0 DEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262678358 535139310 /nfs/dbraw/zinc/13/93/10/535139310.db2.gz URCJTKWSGVGMJM-VQHPVUNQSA-N 2 0 307.482 2.001 10 0 DEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000358198175 535264933 /nfs/dbraw/zinc/26/49/33/535264933.db2.gz XIAHTQCVOGRVCK-QGZVFWFLSA-N 2 0 322.497 2.012 10 0 DEAERP Cn1ncc(Br)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453600180 536339254 /nfs/dbraw/zinc/33/92/54/536339254.db2.gz RRCIYQBVDBAOFX-UHFFFAOYSA-N 2 0 315.259 2.147 10 0 DEAERP C[N@H+](CCN(Cc1ccccc1)C(=O)C[NH3+])Cc1ccccc1 ZINC000237133210 636696783 /nfs/dbraw/zinc/69/67/83/636696783.db2.gz BYAJRBFPOYZYKQ-UHFFFAOYSA-N 2 0 311.429 2.106 10 0 DEAERP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000079920024 683976479 /nfs/dbraw/zinc/97/64/79/683976479.db2.gz JAQCGSKDOYWHOY-UHFFFAOYSA-N 2 0 318.421 2.180 10 0 DEAERP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000715543560 792477468 /nfs/dbraw/zinc/47/74/68/792477468.db2.gz PZSCRMFBKWPSCZ-GJZGRUSLSA-N 2 0 311.470 2.316 10 0 DEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000717518266 799419233 /nfs/dbraw/zinc/41/92/33/799419233.db2.gz CIMILOUGZUZMFX-UHFFFAOYSA-N 2 0 315.461 2.094 10 0 DEAERP COC[C@@H](C)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717982703 1081855229 /nfs/dbraw/zinc/85/52/29/1081855229.db2.gz HFTATPBLKQCOSZ-KRWDZBQOSA-N 2 0 320.477 2.276 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000709521440 1086682936 /nfs/dbraw/zinc/68/29/36/1086682936.db2.gz MELRNTSSYHAFKV-IEZWGBDMSA-N 2 0 315.461 2.013 10 0 DEAERP C[N@H+](CCCCCC[NH3+])CCCN1C(=O)c2ccccc2C1=O ZINC000710750518 1086689243 /nfs/dbraw/zinc/68/92/43/1086689243.db2.gz MIZSTNOPRCEAMP-UHFFFAOYSA-N 2 0 317.433 2.124 10 0 DEAERP C[C@H](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000711224120 1087022977 /nfs/dbraw/zinc/02/29/77/1087022977.db2.gz LFANVUKHMWTFKL-NVXWUHKLSA-N 2 0 317.477 2.259 10 0 DEAERP COC(=O)[C@](C)([NH3+])CCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435490 185250226 /nfs/dbraw/zinc/25/02/26/185250226.db2.gz OCBZHGJEMLGKEE-CYBMUJFWSA-N 2 0 310.360 2.321 10 0 DEAERP C[N@H+](Cc1cccc(Br)c1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606699 185306403 /nfs/dbraw/zinc/30/64/03/185306403.db2.gz DVEKDOFQFMFVNF-UONOGXRCSA-N 2 0 313.239 2.245 10 0 DEAERP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447549 283156779 /nfs/dbraw/zinc/15/67/79/283156779.db2.gz NXCVKRBBAVDROC-GDBMZVCRSA-N 2 0 323.481 2.483 10 0 DEAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000400474685 283157657 /nfs/dbraw/zinc/15/76/57/283157657.db2.gz ZHSWEZWMJXQQBZ-QFHJOOASSA-N 3 0 301.478 2.485 10 0 DEAERP C[N@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000309536882 356410566 /nfs/dbraw/zinc/41/05/66/356410566.db2.gz IREPTVFCRVHZAA-KRWDZBQOSA-N 2 0 303.450 2.014 10 0 DEAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000193376243 201041292 /nfs/dbraw/zinc/04/12/92/201041292.db2.gz CKHQHHNRTTXOPT-IAGOWNOFSA-N 2 0 321.465 2.301 10 0 DEAERP CC[N@H+](CC(C)(C)O)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000092983419 193191246 /nfs/dbraw/zinc/19/12/46/193191246.db2.gz FFFZJYYNFGEULG-KRWDZBQOSA-N 2 0 300.487 2.122 10 0 DEAERP CCC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638891 193388368 /nfs/dbraw/zinc/38/83/68/193388368.db2.gz MHXQFQDJTBRXAA-HOTGVXAUSA-N 2 0 316.511 2.054 10 0 DEAERP c1ccc(N(CC[n+]2ccccc2)CC[n+]2ccccc2)cc1 ZINC000038611811 183004420 /nfs/dbraw/zinc/00/44/20/183004420.db2.gz DYXYGAGTBKRLAJ-UHFFFAOYSA-N 2 0 305.425 2.468 10 0 DEAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000043810456 183386560 /nfs/dbraw/zinc/38/65/60/183386560.db2.gz WGOHEXQGBYEUBH-AWEZNQCLSA-N 2 0 301.356 2.213 10 0 DEAERP CC[NH+]1CCC(C[NH2+]C[C@H](O)CO[C@H](C)CC(C)C)CC1 ZINC000044518538 183417944 /nfs/dbraw/zinc/41/79/44/183417944.db2.gz DUIKJVJXLCRTLG-WBVHZDCISA-N 2 0 300.487 2.120 10 0 DEAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062710077 184248635 /nfs/dbraw/zinc/24/86/35/184248635.db2.gz DPHLNGZGHSWSPM-AWEZNQCLSA-N 2 0 301.356 2.130 10 0 DEAERP O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347662 296324428 /nfs/dbraw/zinc/32/44/28/296324428.db2.gz IPTLPQXRFPRNSO-MSOLQXFVSA-N 2 0 321.509 2.491 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000539417188 285076740 /nfs/dbraw/zinc/07/67/40/285076740.db2.gz DAFBKDWKGCHGSS-SFHVURJKSA-N 2 0 317.477 2.309 10 0 DEAERP C[C@@H](CC[NH+]1CCN(c2nccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000156267435 197100433 /nfs/dbraw/zinc/10/04/33/197100433.db2.gz XHJDWESKVDXGID-GJZGRUSLSA-N 2 0 308.495 2.291 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000245425489 285235424 /nfs/dbraw/zinc/23/54/24/285235424.db2.gz TVRLHDLJOQNBAF-IXDOHACOSA-N 2 0 324.513 2.233 10 0 DEAERP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CC4)CCO[C@@H]3C2)n1 ZINC000503719030 257208937 /nfs/dbraw/zinc/20/89/37/257208937.db2.gz KMBPWVKZHIBCLG-PKOBYXMFSA-N 2 0 315.461 2.323 10 0 DEAERP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734699 132541034 /nfs/dbraw/zinc/54/10/34/132541034.db2.gz WFDJHANYVQUSOO-CVEARBPZSA-N 2 0 309.498 2.488 10 0 DEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131324 /nfs/dbraw/zinc/13/13/24/133131324.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 2 0 323.525 2.365 10 0 DEAERP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000360064962 133159885 /nfs/dbraw/zinc/15/98/85/133159885.db2.gz FYTIVLQFWULAEQ-UHFFFAOYSA-N 2 0 324.513 2.402 10 0 DEAERP CC(C)N(C)c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC000190774866 145048373 /nfs/dbraw/zinc/04/83/73/145048373.db2.gz XEPBHTBPLHPJLO-UHFFFAOYSA-N 2 0 320.481 2.128 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000192596471 145075399 /nfs/dbraw/zinc/07/53/99/145075399.db2.gz UCJWMZFANCMDGM-RHSMWYFYSA-N 2 0 307.482 2.050 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000246281128 145097215 /nfs/dbraw/zinc/09/72/15/145097215.db2.gz JZVIEWATNJGQKA-XHSDSOJGSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248828804 145169390 /nfs/dbraw/zinc/16/93/90/145169390.db2.gz APXBVRKYRCBVTB-YQQAZPJKSA-N 2 0 303.450 2.283 10 0 DEAERP C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261638746 145212372 /nfs/dbraw/zinc/21/23/72/145212372.db2.gz DIPSHJOKKNFVSN-DOMZBBRYSA-N 2 0 323.868 2.404 10 0 DEAERP Cn1c(CCN2CC[NH2+]C[C@H]2c2cccnc2)nc2ccccc21 ZINC000261640686 145212814 /nfs/dbraw/zinc/21/28/14/145212814.db2.gz FQQHNRKBRATSJD-SFHVURJKSA-N 2 0 321.428 2.157 10 0 DEAERP CCc1ccc([C@H](C)NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798737 145227355 /nfs/dbraw/zinc/22/73/55/145227355.db2.gz NZJMJULIAPWOEP-WMLDXEAASA-N 2 0 317.477 2.485 10 0 DEAERP CC1(C)C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000261907832 145240241 /nfs/dbraw/zinc/24/02/41/145240241.db2.gz XEDDNXMUIVWWEG-CQSZACIVSA-N 2 0 311.376 2.353 10 0 DEAERP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261920499 145241843 /nfs/dbraw/zinc/24/18/43/145241843.db2.gz KJYFJLMLQKYMJZ-LLVKDONJSA-N 2 0 305.447 2.159 10 0 DEAERP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262411025 145282171 /nfs/dbraw/zinc/28/21/71/145282171.db2.gz DGZMMFMPEIZOPW-OIISXLGYSA-N 2 0 307.482 2.336 10 0 DEAERP Cc1cnn(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000123942325 402155431 /nfs/dbraw/zinc/15/54/31/402155431.db2.gz GYGUPRHMZITQKY-MRXNPFEDSA-N 2 0 316.449 2.483 10 0 DEAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229267 402181929 /nfs/dbraw/zinc/18/19/29/402181929.db2.gz HYCKSMFJVZCTGA-QGZVFWFLSA-N 2 0 309.498 2.489 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125237740 402220934 /nfs/dbraw/zinc/22/09/34/402220934.db2.gz MPTDJFHBRJLKKW-JCYILVPMSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107845036 402241988 /nfs/dbraw/zinc/24/19/88/402241988.db2.gz IRVXNKGVUTUXIO-SJORKVTESA-N 2 0 324.513 2.377 10 0 DEAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000124994859 402207596 /nfs/dbraw/zinc/20/75/96/402207596.db2.gz IUGJUZPVNPXGEZ-ZWKOTPCHSA-N 2 0 317.477 2.498 10 0 DEAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)[C@@H]1CCOC1 ZINC000126141708 402266368 /nfs/dbraw/zinc/26/63/68/402266368.db2.gz DCPVNGSCYHXZBI-HPFXQQBRSA-N 2 0 303.450 2.307 10 0 DEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176272473 402295718 /nfs/dbraw/zinc/29/57/18/402295718.db2.gz QOXBZDBSEPZJGV-KRWDZBQOSA-N 2 0 322.497 2.177 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000176297087 402297972 /nfs/dbraw/zinc/29/79/72/402297972.db2.gz WPIZLHWCZOIPCT-KRWDZBQOSA-N 2 0 324.513 2.377 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1Br ZINC000234795438 402361162 /nfs/dbraw/zinc/36/11/62/402361162.db2.gz XBFHAFALQBKBLX-LBPRGKRZSA-N 2 0 301.228 2.293 10 0 DEAERP COc1ccc([C@H](C)C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185864888 402384195 /nfs/dbraw/zinc/38/41/95/402384195.db2.gz MGIDDMVTGPWWKY-IAGOWNOFSA-N 2 0 319.493 2.414 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000237972081 402428743 /nfs/dbraw/zinc/42/87/43/402428743.db2.gz PGTFIPAQTVCDHD-BZSNNMDCSA-N 2 0 319.493 2.242 10 0 DEAERP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246255142 402521081 /nfs/dbraw/zinc/52/10/81/402521081.db2.gz KGHLFCGBWPNHTO-ZACQAIPSSA-N 2 0 307.482 2.289 10 0 DEAERP C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000170864779 402535013 /nfs/dbraw/zinc/53/50/13/402535013.db2.gz ZQHVXMGZSCUSRO-QGZVFWFLSA-N 2 0 301.434 2.059 10 0 DEAERP CC[C@H](C(=O)NCCN1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000189416535 402536268 /nfs/dbraw/zinc/53/62/68/402536268.db2.gz ASSVKAPOMMNFGI-MRXNPFEDSA-N 2 0 323.868 2.155 10 0 DEAERP CC(C)CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000171385954 402583297 /nfs/dbraw/zinc/58/32/97/402583297.db2.gz AGBIBCWIGKVJME-UHFFFAOYSA-N 2 0 321.509 2.441 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCCC2 ZINC000181560039 402649785 /nfs/dbraw/zinc/64/97/85/402649785.db2.gz NLKWDPWJJSCQRT-YESZJQIVSA-N 2 0 310.482 2.161 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000174757839 402755644 /nfs/dbraw/zinc/75/56/44/402755644.db2.gz MKUKQTHRXAMIHE-NVXWUHKLSA-N 2 0 322.497 2.129 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000194128954 402785158 /nfs/dbraw/zinc/78/51/58/402785158.db2.gz YVMNIDIUDCOISR-IRXDYDNUSA-N 2 0 318.465 2.073 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000175959897 402844784 /nfs/dbraw/zinc/84/47/84/402844784.db2.gz FMWRZEGANACEQU-NVXWUHKLSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000396316687 405056943 /nfs/dbraw/zinc/05/69/43/405056943.db2.gz DTZPQTQHCRXYJA-BPQIPLTHSA-N 2 0 315.461 2.237 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455474867 405415186 /nfs/dbraw/zinc/41/51/86/405415186.db2.gz MMQORCHNMZDGCK-ALOPSCKCSA-N 2 0 322.497 2.033 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000580151335 405592828 /nfs/dbraw/zinc/59/28/28/405592828.db2.gz RBJJWQFKRWRYQT-KRWDZBQOSA-N 2 0 324.513 2.377 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1=CCOCC1 ZINC000423161865 405708522 /nfs/dbraw/zinc/70/85/22/405708522.db2.gz SPXMCRCYWJQPLB-SJLPKXTDSA-N 2 0 300.402 2.179 10 0 DEAERP c1ccc(CN2CCCO[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639106903 405886005 /nfs/dbraw/zinc/88/60/05/405886005.db2.gz XBHVYBQOEYMRBM-OALUTQOASA-N 2 0 318.461 2.436 10 0 DEAERP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635012406 406399922 /nfs/dbraw/zinc/39/99/22/406399922.db2.gz MIVCMFAZIHALBH-WNRNVDISSA-N 2 0 322.493 2.473 10 0 DEAERP O=C(CCC1C[NH2+]C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638080007 406558704 /nfs/dbraw/zinc/55/87/04/406558704.db2.gz KMZRTSNMFRBLTH-SFHVURJKSA-N 2 0 315.461 2.014 10 0 DEAERP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000572256162 406633602 /nfs/dbraw/zinc/63/36/02/406633602.db2.gz CQWNFLYYVDTHNO-KBAYOESNSA-N 2 0 315.461 2.107 10 0 DEAERP CCC[NH2+][C@H](CC[NH+]1CCC(OCCO)CC1)C(C)(C)C ZINC000129395841 196045313 /nfs/dbraw/zinc/04/53/13/196045313.db2.gz UVLGBOSBVWYMPW-MRXNPFEDSA-N 2 0 300.487 2.264 10 0 DEAERP CSc1ccc(C[N@@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC000130627282 196097157 /nfs/dbraw/zinc/09/71/57/196097157.db2.gz MIHCJZJUUUAXJS-INIZCTEOSA-N 2 0 305.491 2.406 10 0 DEAERP [NH3+]C1CC[NH+]([C@H]2CCN(c3nccc4sccc43)C2)CC1 ZINC000130857389 196116030 /nfs/dbraw/zinc/11/60/30/196116030.db2.gz QHNKPVURZNTMHZ-ZDUSSCGKSA-N 2 0 302.447 2.298 10 0 DEAERP CN(C(=O)C1CCC([NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381910629 424909742 /nfs/dbraw/zinc/90/97/42/424909742.db2.gz ZSOHSBBKLISRQT-DAWZGUTISA-N 2 0 315.461 2.237 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388680652 424914490 /nfs/dbraw/zinc/91/44/90/424914490.db2.gz VLHLGCXZUFCPPX-ROUUACIJSA-N 2 0 317.477 2.483 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404327781 424927082 /nfs/dbraw/zinc/92/70/82/424927082.db2.gz WWQUTZLZERHSQM-WMZOPIPTSA-N 2 0 317.477 2.484 10 0 DEAERP CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccccc1Br ZINC000311090517 424894549 /nfs/dbraw/zinc/89/45/49/424894549.db2.gz ICKJDSBQXRLEGG-NEPJUHHUSA-N 2 0 315.255 2.412 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000333586719 268957045 /nfs/dbraw/zinc/95/70/45/268957045.db2.gz OEGKHKLSAZOBBA-PVAVHDDUSA-N 2 0 322.497 2.081 10 0 DEAERP C([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333641330 268968816 /nfs/dbraw/zinc/96/88/16/268968816.db2.gz XILWHOYMIIKVIU-LSDHHAIUSA-N 2 0 303.454 2.330 10 0 DEAERP CCOC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397489593 269106945 /nfs/dbraw/zinc/10/69/45/269106945.db2.gz HCZCPLLCJSCGNU-INIZCTEOSA-N 2 0 306.450 2.028 10 0 DEAERP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000236788380 275930258 /nfs/dbraw/zinc/93/02/58/275930258.db2.gz PMDRYWPMGWIIBH-GMRIPVOYSA-N 2 0 307.482 2.227 10 0 DEAERP CC1(C)CC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000105070702 278190037 /nfs/dbraw/zinc/19/00/37/278190037.db2.gz NVCDGFGOFTXIMM-HNNXBMFYSA-N 2 0 322.497 2.175 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000175028935 281191757 /nfs/dbraw/zinc/19/17/57/281191757.db2.gz YQZCKBMIWITZEO-ZWKOTPCHSA-N 2 0 315.461 2.447 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398163308 337307618 /nfs/dbraw/zinc/30/76/18/337307618.db2.gz SNDPNIFNMNESEG-SZVBFZGTSA-N 2 0 315.461 2.155 10 0 DEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000124398149 517642992 /nfs/dbraw/zinc/64/29/92/517642992.db2.gz LFBUCOMOBFNXQX-IAGOWNOFSA-N 2 0 324.513 2.233 10 0 DEAERP C/C(=C/C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC1 ZINC000255550108 625046366 /nfs/dbraw/zinc/04/63/66/625046366.db2.gz UDBZLYWRHNQJFZ-PEZBUJJGSA-N 2 0 319.493 2.409 10 0 DEAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(C)c3)C2)[C@H]1C(C)C ZINC000888097453 635540573 /nfs/dbraw/zinc/54/05/73/635540573.db2.gz JEWSXVDTOUCYCN-NCXUSEDFSA-N 2 0 317.477 2.349 10 0 DEAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(C)c3)C2)[C@@H]1C(C)C ZINC000888097449 635540726 /nfs/dbraw/zinc/54/07/26/635540726.db2.gz JEWSXVDTOUCYCN-AKHDSKFASA-N 2 0 317.477 2.349 10 0 DEAERP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[NH+]1CCCC1 ZINC000005602534 651279687 /nfs/dbraw/zinc/27/96/87/651279687.db2.gz RVSRDNZLKOKNCE-SJLPKXTDSA-N 2 0 313.445 2.225 10 0 DEAERP c1nc2cnccn2c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000156826443 796841367 /nfs/dbraw/zinc/84/13/67/796841367.db2.gz LZZRXNDHOWFLPW-UHFFFAOYSA-N 2 0 301.438 2.475 10 0 DEAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054970 799434118 /nfs/dbraw/zinc/43/41/18/799434118.db2.gz GDIZWUOLMYHNCO-HUUCEWRRSA-N 2 0 311.470 2.317 10 0 DEAERP C[C@H]1COC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717948659 1081845299 /nfs/dbraw/zinc/84/52/99/1081845299.db2.gz FCJYFCJBTVTGRN-FUHWJXTLSA-N 2 0 318.461 2.028 10 0 DEAERP C[NH+](C)CCN[C@@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000087912144 185237236 /nfs/dbraw/zinc/23/72/36/185237236.db2.gz DRCVVYXKEWCGJA-LBPRGKRZSA-N 2 0 307.385 2.450 10 0 DEAERP C[N@H+](CCC(=O)Nc1ccccc1C[NH3+])CCC(F)(F)F ZINC000088417519 185249073 /nfs/dbraw/zinc/24/90/73/185249073.db2.gz FZQRQLNEDBASFQ-UHFFFAOYSA-N 2 0 303.328 2.358 10 0 DEAERP CC[NH2+][C@@H]1CCC2(C[C@H]1SCC[NH+](CC)CC)OCCO2 ZINC000088735836 185263783 /nfs/dbraw/zinc/26/37/83/185263783.db2.gz RAMJNXNABOFJLA-HUUCEWRRSA-N 2 0 316.511 2.335 10 0 DEAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000090327565 185291208 /nfs/dbraw/zinc/29/12/08/185291208.db2.gz QRKSMENGVKTMPM-JMSVASOKSA-N 2 0 307.825 2.208 10 0 DEAERP CN(C[C@@H]1CCC[N@@H+]1C)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000092625280 185329662 /nfs/dbraw/zinc/32/96/62/185329662.db2.gz NQUHWFHACRHWAJ-MOKVOYLWSA-N 2 0 307.404 2.462 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000192945626 282345358 /nfs/dbraw/zinc/34/53/58/282345358.db2.gz ZZGQRUOOARXMCX-MRXNPFEDSA-N 2 0 312.502 2.138 10 0 DEAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCCC1 ZINC000236690405 201968374 /nfs/dbraw/zinc/96/83/74/201968374.db2.gz VZOFSRGFHCDJTE-IRXDYDNUSA-N 2 0 321.509 2.393 10 0 DEAERP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000237998230 539752735 /nfs/dbraw/zinc/75/27/35/539752735.db2.gz NTKICBMDJRGPJQ-KRWDZBQOSA-N 2 0 315.461 2.429 10 0 DEAERP C[C@H]([NH3+])CCC[C@H](C)C(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164298358 186155064 /nfs/dbraw/zinc/15/50/64/186155064.db2.gz OQUZUJZMCKEIHH-RYUDHWBXSA-N 2 0 314.861 2.434 10 0 DEAERP CC[NH+]1CCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC1 ZINC000164289707 186155286 /nfs/dbraw/zinc/15/52/86/186155286.db2.gz XYRVHJKKBUORNC-UHFFFAOYSA-N 2 0 300.328 2.131 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000398065398 540140518 /nfs/dbraw/zinc/14/05/18/540140518.db2.gz HLLNVASRKYBADY-ZBFHGGJFSA-N 2 0 301.434 2.037 10 0 DEAERP C[C@H](C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000400760673 283158685 /nfs/dbraw/zinc/15/86/85/283158685.db2.gz YBQYFCVDEKZJSU-KFWWJZLASA-N 2 0 313.486 2.419 10 0 DEAERP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447553 283156909 /nfs/dbraw/zinc/15/69/09/283156909.db2.gz NXCVKRBBAVDROC-ZBFHGGJFSA-N 2 0 323.481 2.483 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000261788761 296068945 /nfs/dbraw/zinc/06/89/45/296068945.db2.gz STNIHYZXARSDOO-SZMVWBNQSA-N 2 0 319.493 2.384 10 0 DEAERP C[NH+]1CCC2(C[NH+]=C(N)N2c2ccccc2Br)CC1 ZINC000093382590 193241134 /nfs/dbraw/zinc/24/11/34/193241134.db2.gz WLBNVENPIQKBAH-UHFFFAOYSA-N 2 0 323.238 2.258 10 0 DEAERP CN(c1nc(C(F)(F)F)ccc1C[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000094334265 193360319 /nfs/dbraw/zinc/36/03/19/193360319.db2.gz PYYUTBCGMVBIOV-LLVKDONJSA-N 2 0 302.344 2.090 10 0 DEAERP C[N@@H+]1CCC[C@H]1CCOc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334491 193360668 /nfs/dbraw/zinc/36/06/68/193360668.db2.gz RZBLJAZMLSDGQP-NSHDSACASA-N 2 0 303.328 2.422 10 0 DEAERP Cc1csc(NC(=O)C[N@@H+](CC2CC[NH2+]CC2)C(C)C)n1 ZINC000094026055 193339863 /nfs/dbraw/zinc/33/98/63/193339863.db2.gz KZSTVXTZVZIQII-UHFFFAOYSA-N 2 0 310.467 2.100 10 0 DEAERP CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC000094634618 193386456 /nfs/dbraw/zinc/38/64/56/193386456.db2.gz WPUZWSJQDOBVKI-HZPDHXFCSA-N 2 0 316.511 2.326 10 0 DEAERP C[NH2+][C@H]1CCCc2sc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc21 ZINC000094444125 193369803 /nfs/dbraw/zinc/36/98/03/193369803.db2.gz CNVJAGCOBRBETR-OLZOCXBDSA-N 2 0 306.479 2.414 10 0 DEAERP C[NH2+]Cc1nc2cc(Cl)ccc2n1CCC[NH+]1CCOCC1 ZINC000040406187 183062104 /nfs/dbraw/zinc/06/21/04/183062104.db2.gz JRAKSJXXEDWOJO-UHFFFAOYSA-N 2 0 322.840 2.131 10 0 DEAERP C[N@@H+](Cc1ccc(Br)c(N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000159354036 197347641 /nfs/dbraw/zinc/34/76/41/197347641.db2.gz LTUHXMHPZSYHCL-GFCCVEGCSA-N 2 0 312.255 2.415 10 0 DEAERP CC[C@@H](c1nc2c(s1)C[N@@H+](C(C)C)CC2)N1CC[NH2+]CC1 ZINC000109472530 194267151 /nfs/dbraw/zinc/26/71/51/194267151.db2.gz ZHCXBBLMCMGAJC-AWEZNQCLSA-N 2 0 308.495 2.266 10 0 DEAERP C[N@H+](CCCOCC(F)(F)F)Cc1cccc(C(N)=[NH2+])c1 ZINC000061942436 184197380 /nfs/dbraw/zinc/19/73/80/184197380.db2.gz FDHAEEJXAZCCPK-UHFFFAOYSA-N 2 0 303.328 2.371 10 0 DEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2cc(Br)cs2)C1 ZINC000062964179 184262993 /nfs/dbraw/zinc/26/29/93/184262993.db2.gz PCDAUCBCRIHTER-MNOVXSKESA-N 2 0 318.284 2.146 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000121628915 195319974 /nfs/dbraw/zinc/31/99/74/195319974.db2.gz ZNTBTEGBEREYJP-MRXNPFEDSA-N 2 0 324.513 2.233 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1=CCOCC1 ZINC000423161862 285522773 /nfs/dbraw/zinc/52/27/73/285522773.db2.gz SPXMCRCYWJQPLB-FUHWJXTLSA-N 2 0 300.402 2.179 10 0 DEAERP CSc1ccccc1NC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630566 145087598 /nfs/dbraw/zinc/08/75/98/145087598.db2.gz MXLWIJVPYZZOGP-OKILXGFUSA-N 2 0 319.474 2.231 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000246768960 145113752 /nfs/dbraw/zinc/11/37/52/145113752.db2.gz CBDHTNBQNCWUKL-NVXWUHKLSA-N 2 0 324.513 2.136 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000246768976 145114140 /nfs/dbraw/zinc/11/41/40/145114140.db2.gz CBDHTNBQNCWUKL-WBVHZDCISA-N 2 0 324.513 2.136 10 0 DEAERP Cc1ccc(CNC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246923887 145119993 /nfs/dbraw/zinc/11/99/93/145119993.db2.gz QCPLTVQILHFEHP-GOEBONIOSA-N 2 0 321.440 2.165 10 0 DEAERP COC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247563748 145141360 /nfs/dbraw/zinc/14/13/60/145141360.db2.gz RBKBBVWGKBPLFT-QFBILLFUSA-N 2 0 320.477 2.399 10 0 DEAERP C[C@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000261713197 145219265 /nfs/dbraw/zinc/21/92/65/145219265.db2.gz KSPVSYHVDZUMHZ-GFCCVEGCSA-N 2 0 319.424 2.436 10 0 DEAERP CSc1ccccc1NC(=O)CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261897193 145238938 /nfs/dbraw/zinc/23/89/38/145238938.db2.gz VFADKDWMWFKJBT-INIZCTEOSA-N 2 0 307.463 2.278 10 0 DEAERP C[C@@H](Cc1nc(-c2ccc(C[NH3+])cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000262142806 145265965 /nfs/dbraw/zinc/26/59/65/145265965.db2.gz ZFJREBDFIGZWFQ-SWLSCSKDSA-N 2 0 300.406 2.374 10 0 DEAERP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262347667 145277673 /nfs/dbraw/zinc/27/76/73/145277673.db2.gz IPSNHGGFBZCEAX-WJTFHPDPSA-N 2 0 307.482 2.034 10 0 DEAERP CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262529258 145290582 /nfs/dbraw/zinc/29/05/82/145290582.db2.gz PGHNTIKHGRBICI-GOSISDBHSA-N 2 0 301.434 2.434 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000127627589 401743064 /nfs/dbraw/zinc/74/30/64/401743064.db2.gz WBYILYKLCREMQC-JKSUJKDBSA-N 2 0 312.502 2.280 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000111420921 401715089 /nfs/dbraw/zinc/71/50/89/401715089.db2.gz ORPMYSKWRNNOJU-HOTGVXAUSA-N 2 0 310.486 2.034 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113609445 401783986 /nfs/dbraw/zinc/78/39/86/401783986.db2.gz NNEVRYHXLLJCHW-DOTOQJQBSA-N 2 0 322.497 2.129 10 0 DEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000047969059 401991211 /nfs/dbraw/zinc/99/12/11/401991211.db2.gz CKGDPBWLSFLUON-MRXNPFEDSA-N 2 0 307.482 2.053 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000123942578 402155464 /nfs/dbraw/zinc/15/54/64/402155464.db2.gz PHRWCKDBLGINRM-GQGLESIBSA-N 2 0 324.513 2.279 10 0 DEAERP C[C@@H]1C[N@@H+](C2CCN(CCC[NH+]3CCCCC3)CC2)CCO1 ZINC000125149949 402216064 /nfs/dbraw/zinc/21/60/64/402216064.db2.gz WQEHCWZYCZKTCK-QGZVFWFLSA-N 2 0 309.498 2.048 10 0 DEAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000154847466 402236032 /nfs/dbraw/zinc/23/60/32/402236032.db2.gz MQWIKEZQBCZNJV-UHFFFAOYSA-N 2 0 318.465 2.160 10 0 DEAERP CC(C)Cc1ncc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000185864824 402383797 /nfs/dbraw/zinc/38/37/97/402383797.db2.gz GNLIRGGIHHAIFW-HNNXBMFYSA-N 2 0 324.538 2.457 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000237200076 402399213 /nfs/dbraw/zinc/39/92/13/402399213.db2.gz BVWGNWVQBXTVKM-NUEKZKHPSA-N 2 0 307.413 2.062 10 0 DEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]([NH3+])c2ccccc2)ccc1F ZINC000237048172 402392959 /nfs/dbraw/zinc/39/29/59/402392959.db2.gz SYMLQJPZOIVMSE-KRWDZBQOSA-N 2 0 315.392 2.204 10 0 DEAERP [NH3+][C@H]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166209210 402482857 /nfs/dbraw/zinc/48/28/57/402482857.db2.gz GEVWLTHIUDSZKV-CVEARBPZSA-N 2 0 321.490 2.204 10 0 DEAERP [NH3+]Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000178824250 402543677 /nfs/dbraw/zinc/54/36/77/402543677.db2.gz YMLSBAPANXWXSO-INIZCTEOSA-N 2 0 301.434 2.093 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000246570490 402536932 /nfs/dbraw/zinc/53/69/32/402536932.db2.gz YLIPSFHFKLZDPK-ZACQAIPSSA-N 2 0 324.513 2.233 10 0 DEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000249842738 402642372 /nfs/dbraw/zinc/64/23/72/402642372.db2.gz YHHCLRIYWKTISU-IAGOWNOFSA-N 2 0 324.513 2.280 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000261813560 402717423 /nfs/dbraw/zinc/71/74/23/402717423.db2.gz ADYYEFNOUBLPQZ-HZPDHXFCSA-N 2 0 307.482 2.371 10 0 DEAERP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000173328276 402692922 /nfs/dbraw/zinc/69/29/22/402692922.db2.gz SZLUGOCZOITGJV-JKSUJKDBSA-N 2 0 312.502 2.229 10 0 DEAERP CCC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000182533675 402697705 /nfs/dbraw/zinc/69/77/05/402697705.db2.gz STMGEKXDADZKKP-WBVHZDCISA-N 2 0 305.466 2.353 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000174174092 402729787 /nfs/dbraw/zinc/72/97/87/402729787.db2.gz GYBVFXJIWMRNNF-BRWVUGGUSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C1 ZINC000263289715 402754785 /nfs/dbraw/zinc/75/47/85/402754785.db2.gz LHPKXUWPUGPQPH-GJZGRUSLSA-N 2 0 315.461 2.000 10 0 DEAERP C[N@@H+]1CCO[C@@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@H]21 ZINC000301661246 403660753 /nfs/dbraw/zinc/66/07/53/403660753.db2.gz MSAYLTYGPLSKAJ-HZPDHXFCSA-N 2 0 303.793 2.407 10 0 DEAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333774980 403856805 /nfs/dbraw/zinc/85/68/05/403856805.db2.gz CRJUOPFRCGTXQO-INIZCTEOSA-N 2 0 324.513 2.472 10 0 DEAERP C(CC[NH+]1CCO[C@H](C2CC2)C1)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000368793084 403861005 /nfs/dbraw/zinc/86/10/05/403861005.db2.gz RUVBOJKTPNZLIZ-OALUTQOASA-N 2 0 322.493 2.378 10 0 DEAERP CC(C)[NH2+]CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377315933 404835818 /nfs/dbraw/zinc/83/58/18/404835818.db2.gz KIUILZBKKDLAHM-MOPGFXCFSA-N 2 0 301.478 2.438 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379634945 405028077 /nfs/dbraw/zinc/02/80/77/405028077.db2.gz VOBDJXOZIIUJPS-WDSOQIARSA-N 2 0 319.493 2.383 10 0 DEAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379662729 405028193 /nfs/dbraw/zinc/02/81/93/405028193.db2.gz JCNOBANOLZKXQM-SZMVWBNQSA-N 2 0 315.461 2.155 10 0 DEAERP O=C(CCC1C[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000638080310 406558672 /nfs/dbraw/zinc/55/86/72/406558672.db2.gz NQCXGNMKJFQBSZ-SFHVURJKSA-N 2 0 315.461 2.157 10 0 DEAERP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000638300409 406683352 /nfs/dbraw/zinc/68/33/52/406683352.db2.gz FORDJWKEZUQISA-DOTOQJQBSA-N 2 0 305.466 2.387 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)[C@H](C)C1 ZINC000129090858 196018261 /nfs/dbraw/zinc/01/82/61/196018261.db2.gz CPXMDWUDKAMSFD-WBVHZDCISA-N 2 0 324.513 2.233 10 0 DEAERP CCC(CC)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)[NH+]1CCCC1 ZINC000132302966 196243584 /nfs/dbraw/zinc/24/35/84/196243584.db2.gz HHGUFXKUOSYBSD-INIZCTEOSA-N 2 0 310.486 2.020 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379663989 424907857 /nfs/dbraw/zinc/90/78/57/424907857.db2.gz NGNAOSOFAYYEBA-DOTOQJQBSA-N 2 0 305.466 2.387 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382762966 424910609 /nfs/dbraw/zinc/91/06/09/424910609.db2.gz NATGOTAMMLDCFQ-ZWKOTPCHSA-N 2 0 317.477 2.340 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390750919 424917630 /nfs/dbraw/zinc/91/76/30/424917630.db2.gz SIIXPVXWJJQBFX-IRXDYDNUSA-N 2 0 303.450 2.141 10 0 DEAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000303207866 424892611 /nfs/dbraw/zinc/89/26/11/424892611.db2.gz OGFPTCJCLAIICX-AEFFLSMTSA-N 2 0 315.461 2.142 10 0 DEAERP [NH3+]CC1(CC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CCCCC1 ZINC000333616169 268962528 /nfs/dbraw/zinc/96/25/28/268962528.db2.gz RDBUPHOAYGZNHQ-JKSUJKDBSA-N 2 0 307.482 2.276 10 0 DEAERP CSC1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000397520534 269106817 /nfs/dbraw/zinc/10/68/17/269106817.db2.gz UNZFSVMMAJTQEB-UHFFFAOYSA-N 2 0 320.502 2.499 10 0 DEAERP OC1(C[NH2+]C[C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397521336 269106883 /nfs/dbraw/zinc/10/68/83/269106883.db2.gz UYFSDYUADZQIHQ-QGZVFWFLSA-N 2 0 320.502 2.356 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398073573 269108204 /nfs/dbraw/zinc/10/82/04/269108204.db2.gz DZQYHLYNMGHBCL-WDSOQIARSA-N 2 0 319.493 2.241 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106457893 276117570 /nfs/dbraw/zinc/11/75/70/276117570.db2.gz JTDRGUWZRJULNL-NVXWUHKLSA-N 2 0 305.466 2.006 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000157763908 277385388 /nfs/dbraw/zinc/38/53/88/277385388.db2.gz QGJWYDZGUWQIKZ-RDJZCZTQSA-N 2 0 324.513 2.135 10 0 DEAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000261625046 295232532 /nfs/dbraw/zinc/23/25/32/295232532.db2.gz AEFPRPKOECFEGL-UHFFFAOYSA-N 2 0 317.477 2.316 10 0 DEAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000188352131 333044733 /nfs/dbraw/zinc/04/47/33/333044733.db2.gz YSVWZOOCZYZVIT-MAUKXSAKSA-N 2 0 306.450 2.015 10 0 DEAERP CC1=CC[NH+](CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447990178 528117301 /nfs/dbraw/zinc/11/73/01/528117301.db2.gz RAMZBQOJUJKFLD-INIZCTEOSA-N 2 0 322.497 2.058 10 0 DEAERP CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195216762 528626584 /nfs/dbraw/zinc/62/65/84/528626584.db2.gz NSSZJYTYKRQZCS-LZLYRXPVSA-N 2 0 312.498 2.407 10 0 DEAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261773595 535151245 /nfs/dbraw/zinc/15/12/45/535151245.db2.gz WERNZVSKPDWORY-UAGQMJEPSA-N 2 0 307.482 2.238 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358194271 535448408 /nfs/dbraw/zinc/44/84/08/535448408.db2.gz RPVPTVJTXPFMGV-UHFFFAOYSA-N 2 0 322.497 2.060 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000246718064 535449387 /nfs/dbraw/zinc/44/93/87/535449387.db2.gz ABARQJLBKWJTRM-NVXWUHKLSA-N 2 0 324.513 2.136 10 0 DEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000236687899 625384266 /nfs/dbraw/zinc/38/42/66/625384266.db2.gz GUGQQCFJNDQVLB-GVDBMIGSSA-N 2 0 309.498 2.377 10 0 DEAERP C[C@@H](CN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1)[NH+](C)C ZINC000757136036 623092220 /nfs/dbraw/zinc/09/22/20/623092220.db2.gz YHYZNWNOABYIAF-LBPRGKRZSA-N 2 0 308.426 2.232 10 0 DEAERP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000174017262 625682820 /nfs/dbraw/zinc/68/28/20/625682820.db2.gz CMICJMGXRRQXJU-QGZVFWFLSA-N 2 0 303.450 2.144 10 0 DEAERP O=C(C[C@H]1CC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000174016670 625682866 /nfs/dbraw/zinc/68/28/66/625682866.db2.gz RVGQDDCKRAVLTM-MRXNPFEDSA-N 2 0 307.482 2.291 10 0 DEAERP C[NH+]1CCC(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000227615986 646603859 /nfs/dbraw/zinc/60/38/59/646603859.db2.gz YURZWNSPYLIDLJ-OAHLLOKOSA-N 2 0 311.470 2.175 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000230412465 646729059 /nfs/dbraw/zinc/72/90/59/646729059.db2.gz BTATZLBDFOAKBL-QLFBSQMISA-N 2 0 311.470 2.316 10 0 DEAERP COC(OC)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381757101 685402151 /nfs/dbraw/zinc/40/21/51/685402151.db2.gz GTONBNPIIOTJRC-YQQAZPJKSA-N 2 0 306.450 2.494 10 0 DEAERP C[C@@H]1OC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000405625707 802076128 /nfs/dbraw/zinc/07/61/28/802076128.db2.gz QTWGBJAXDANFEC-SOLBZPMBSA-N 2 0 318.461 2.027 10 0 DEAERP [NH3+]C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000709845423 1086684863 /nfs/dbraw/zinc/68/48/63/1086684863.db2.gz IPKRCLOVFDJUBC-RKDXNWHRSA-N 2 0 308.266 2.024 10 0 DEAERP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000720249102 1089538759 /nfs/dbraw/zinc/53/87/59/1089538759.db2.gz KPNFCMVULAVUFF-VHSXEESVSA-N 2 0 302.287 2.375 10 0 DEAERP CC1CC[NH+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000138084359 282098734 /nfs/dbraw/zinc/09/87/34/282098734.db2.gz AILQJMGACYFIQL-UHFFFAOYSA-N 2 0 324.513 2.138 10 0 DEAERP CCC[C@@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000087526075 185227625 /nfs/dbraw/zinc/22/76/25/185227625.db2.gz WJOUDCWOYOSANC-AWEZNQCLSA-N 2 0 309.479 2.157 10 0 DEAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1ccccc1OC(F)F ZINC000087912681 185237390 /nfs/dbraw/zinc/23/73/90/185237390.db2.gz SKPZYFZBPDSURK-CYBMUJFWSA-N 2 0 301.381 2.219 10 0 DEAERP Nc1cc[nH+]cc1-c1cc(NC2CC[NH2+]CC2)nc2[nH]ccc21 ZINC000072159250 191062882 /nfs/dbraw/zinc/06/28/82/191062882.db2.gz DWGCBSTUEFEZCL-UHFFFAOYSA-N 2 0 308.389 2.371 10 0 DEAERP CC[NH2+][C@@H](Cc1ccc(Cl)cc1)C[C@@H]1C[N@H+](C)CCN1C ZINC000149610423 186052112 /nfs/dbraw/zinc/05/21/12/186052112.db2.gz OTDKRTUKDLUZSO-DLBZAZTESA-N 2 0 309.885 2.497 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000164290974 186155088 /nfs/dbraw/zinc/15/50/88/186155088.db2.gz DIKVGQUKZYTNSN-UHFFFAOYSA-N 2 0 300.834 2.044 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303089415 539861227 /nfs/dbraw/zinc/86/12/27/539861227.db2.gz OSCUAAMTCAPRLS-MSOLQXFVSA-N 2 0 315.461 2.157 10 0 DEAERP C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333578307 539963777 /nfs/dbraw/zinc/96/37/77/539963777.db2.gz NHLUXHDGPQOIRM-JYJNAYRXSA-N 2 0 322.497 2.081 10 0 DEAERP C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333578304 539963896 /nfs/dbraw/zinc/96/38/96/539963896.db2.gz NHLUXHDGPQOIRM-ARFHVFGLSA-N 2 0 322.497 2.081 10 0 DEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173977587 198274889 /nfs/dbraw/zinc/27/48/89/198274889.db2.gz LEHBYUFXTKGFGL-ZDUSSCGKSA-N 2 0 315.417 2.271 10 0 DEAERP COc1ccccc1N1CC[NH+](C2C[C@@H]3CC([NH3+])C[C@H]3C2)CC1 ZINC000038296392 354167126 /nfs/dbraw/zinc/16/71/26/354167126.db2.gz RYFNTWUMDXXCPE-JUVOFCAFSA-N 2 0 315.461 2.333 10 0 DEAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccnn1C ZINC000192906723 356221425 /nfs/dbraw/zinc/22/14/25/356221425.db2.gz OKKKPYPLGDJTRO-INIZCTEOSA-N 2 0 319.497 2.021 10 0 DEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262655640 356343094 /nfs/dbraw/zinc/34/30/94/356343094.db2.gz CNGXBZDAGKWUDJ-PBHICJAKSA-N 2 0 303.450 2.270 10 0 DEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236862803 202041379 /nfs/dbraw/zinc/04/13/79/202041379.db2.gz QQPKEOXROAHWCD-CHWSQXEVSA-N 2 0 323.403 2.237 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236914684 202068517 /nfs/dbraw/zinc/06/85/17/202068517.db2.gz HLLCWGCGRHXGDV-IKGGRYGDSA-N 2 0 307.482 2.145 10 0 DEAERP c1ncn(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000578625783 356846719 /nfs/dbraw/zinc/84/67/19/356846719.db2.gz LYTHNSGJMSNMCN-QGZVFWFLSA-N 2 0 311.433 2.065 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000608693536 361251045 /nfs/dbraw/zinc/25/10/45/361251045.db2.gz RXCWMHRJSJPXLV-OAHLLOKOSA-N 2 0 324.513 2.138 10 0 DEAERP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)C1CCC([NH3+])CC1 ZINC000091844804 193116906 /nfs/dbraw/zinc/11/69/06/193116906.db2.gz ZTHUOGANPLKKID-LRVUVFPRSA-N 2 0 310.463 2.353 10 0 DEAERP CCC[NH2+][C@@H]1[C@H](C[NH+](CCOC)CCOC)CCC1(C)C ZINC000094317837 193359188 /nfs/dbraw/zinc/35/91/88/193359188.db2.gz OPJAWUBZGSMBQD-JKSUJKDBSA-N 2 0 300.487 2.386 10 0 DEAERP CC[N@H+]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094638823 193387868 /nfs/dbraw/zinc/38/78/68/193387868.db2.gz VGOSNBUZMNRDHO-LVQVYYBASA-N 2 0 316.511 2.182 10 0 DEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000262429726 284581425 /nfs/dbraw/zinc/58/14/25/284581425.db2.gz FSVNTAJJIJGAMZ-INIZCTEOSA-N 2 0 309.498 2.345 10 0 DEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000045666231 183522956 /nfs/dbraw/zinc/52/29/56/183522956.db2.gz HJJYKQSPSSFDQC-LLVKDONJSA-N 2 0 318.259 2.316 10 0 DEAERP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261626061 284728100 /nfs/dbraw/zinc/72/81/00/284728100.db2.gz BIERMDPVRQQGRU-VQHPVUNQSA-N 2 0 309.498 2.378 10 0 DEAERP C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000110708491 194353708 /nfs/dbraw/zinc/35/37/08/194353708.db2.gz MWVIDJVQTGBFOT-RISCZKNCSA-N 2 0 301.356 2.341 10 0 DEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000111131567 194394506 /nfs/dbraw/zinc/39/45/06/194394506.db2.gz MSNSEZAQSXCQAZ-AWEZNQCLSA-N 2 0 314.271 2.332 10 0 DEAERP C[NH+](C)CCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1N ZINC000111131523 194392916 /nfs/dbraw/zinc/39/29/16/194392916.db2.gz AHALEDKWZWTINS-UHFFFAOYSA-N 2 0 312.845 2.134 10 0 DEAERP C[C@H](c1ccc(Cl)s1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178416 184276881 /nfs/dbraw/zinc/27/68/81/184276881.db2.gz MSLJSGVCEZWHBI-MNOVXSKESA-N 2 0 315.870 2.249 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000158295904 197261118 /nfs/dbraw/zinc/26/11/18/197261118.db2.gz WWGULYRHTPKMJT-QGZVFWFLSA-N 2 0 324.513 2.090 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000247478303 285198632 /nfs/dbraw/zinc/19/86/32/285198632.db2.gz IWETUZZISRCTLA-HZPDHXFCSA-N 2 0 312.502 2.136 10 0 DEAERP COC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000124742746 285233528 /nfs/dbraw/zinc/23/35/28/285233528.db2.gz XQUXCGMLTKTZGV-QGZVFWFLSA-N 2 0 311.514 2.197 10 0 DEAERP CCn1nc(C)c(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000294834367 224252122 /nfs/dbraw/zinc/25/21/22/224252122.db2.gz NQSZVMBTLCLGMO-HNNXBMFYSA-N 2 0 314.437 2.244 10 0 DEAERP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000248040722 257112431 /nfs/dbraw/zinc/11/24/31/257112431.db2.gz VOKNWVZBSJUXOH-GVDBMIGSSA-N 2 0 324.490 2.448 10 0 DEAERP CC1=CC[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000358180883 133126772 /nfs/dbraw/zinc/12/67/72/133126772.db2.gz BLTVOOHBIVMSLK-QGZVFWFLSA-N 2 0 322.497 2.058 10 0 DEAERP [NH3+][C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000563209408 292039508 /nfs/dbraw/zinc/03/95/08/292039508.db2.gz HAXVOPNOAADNJG-NUIAMIPMSA-N 2 0 313.445 2.036 10 0 DEAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193653069 145088717 /nfs/dbraw/zinc/08/87/17/145088717.db2.gz HWUXYVQCUDYLSY-BETUJISGSA-N 2 0 307.825 2.162 10 0 DEAERP C[C@@H]1CCN(Cc2nnc(C3CCC3)n2C)C[C@H]1n1ccnc1 ZINC000248385382 145152590 /nfs/dbraw/zinc/15/25/90/145152590.db2.gz IENAPXGAHHQPFV-UKRRQHHQSA-N 2 0 314.437 2.362 10 0 DEAERP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000252744182 145201168 /nfs/dbraw/zinc/20/11/68/145201168.db2.gz VXSAECIQRJLYNZ-LSDHHAIUSA-N 2 0 307.438 2.406 10 0 DEAERP Cc1ccc([C@@H]([NH3+])C(=O)NC2CCN(c3ccccn3)CC2)cc1 ZINC000261609932 145209690 /nfs/dbraw/zinc/20/96/90/145209690.db2.gz DMZGPTXLMARLNL-GOSISDBHSA-N 2 0 324.428 2.175 10 0 DEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000261613054 145210266 /nfs/dbraw/zinc/21/02/66/145210266.db2.gz GCNOAGNWRSMKIS-QCVBTUQFSA-N 2 0 307.482 2.306 10 0 DEAERP CCc1ccc([C@@H](C)NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798736 145227303 /nfs/dbraw/zinc/22/73/03/145227303.db2.gz NZJMJULIAPWOEP-RHSMWYFYSA-N 2 0 317.477 2.485 10 0 DEAERP C[C@@H]1CCCN1C(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261861164 145234607 /nfs/dbraw/zinc/23/46/07/145234607.db2.gz WHWUSTVSRNLHMN-NXHRZFHOSA-N 2 0 315.461 2.062 10 0 DEAERP C[C@@]1(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261898286 145239049 /nfs/dbraw/zinc/23/90/49/145239049.db2.gz VLTGWQKESVVVGQ-GOSISDBHSA-N 2 0 307.482 2.147 10 0 DEAERP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922033 145241960 /nfs/dbraw/zinc/24/19/60/145241960.db2.gz IAFGLHVIGCCCRS-UONOGXRCSA-N 2 0 307.413 2.064 10 0 DEAERP C[C@]1(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC[NH2+]C1 ZINC000262025216 145254468 /nfs/dbraw/zinc/25/44/68/145254468.db2.gz NLPFJELMTNZBAD-SFHVURJKSA-N 2 0 316.449 2.272 10 0 DEAERP C[C@@H](NC(=O)CN(C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460636 145285033 /nfs/dbraw/zinc/28/50/33/145285033.db2.gz INMXDASLVQNBAA-CJNGLKHVSA-N 2 0 307.413 2.077 10 0 DEAERP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000358489464 147144053 /nfs/dbraw/zinc/14/40/53/147144053.db2.gz BVNQTBPSVBHNQR-IAGOWNOFSA-N 2 0 324.513 2.234 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000129031225 401797411 /nfs/dbraw/zinc/79/74/11/401797411.db2.gz MMQVOXOCYXAJFU-NVXWUHKLSA-N 2 0 324.513 2.090 10 0 DEAERP C[NH2+][C@H](C)CC[NH2+]CCCCCCC[NH2+]CC[C@@H](C)[NH2+]C ZINC000013650046 401802094 /nfs/dbraw/zinc/80/20/94/401802094.db2.gz LXAPBJWJUXHJMY-IAGOWNOFSA-N 4 0 300.535 2.112 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000079461687 401873214 /nfs/dbraw/zinc/87/32/14/401873214.db2.gz DOOSFPZCKZCRRT-TWMKSMIVSA-N 2 0 309.498 2.153 10 0 DEAERP C[C@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000119097436 401925945 /nfs/dbraw/zinc/92/59/45/401925945.db2.gz JLHPBPRCYZJLEY-ZGRYLRDCSA-N 2 0 324.513 2.231 10 0 DEAERP C(CC[N@@H+]1CCOCC12CCC2)C[NH+]1CCOCC12CCC2 ZINC000135540808 401944234 /nfs/dbraw/zinc/94/42/34/401944234.db2.gz WEOCYJFBBHQPRQ-UHFFFAOYSA-N 2 0 308.466 2.276 10 0 DEAERP CCC(CC)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121070621 402013037 /nfs/dbraw/zinc/01/30/37/402013037.db2.gz PCTMDCTUNWSIBI-SFHVURJKSA-N 2 0 311.514 2.149 10 0 DEAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000151329624 402030285 /nfs/dbraw/zinc/03/02/85/402030285.db2.gz DHKNAZDJCQFQSD-MOPGFXCFSA-N 2 0 320.477 2.228 10 0 DEAERP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1 ZINC000153097854 402126479 /nfs/dbraw/zinc/12/64/79/402126479.db2.gz AEBZWLKBNQMDJV-LSDHHAIUSA-N 2 0 319.449 2.264 10 0 DEAERP C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000154551000 402218067 /nfs/dbraw/zinc/21/80/67/402218067.db2.gz HRWVURMGUAARAB-WBVHZDCISA-N 2 0 305.466 2.372 10 0 DEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)CC1 ZINC000236625677 402369527 /nfs/dbraw/zinc/36/95/27/402369527.db2.gz FLLBMNFQFQXMLZ-YESZJQIVSA-N 2 0 307.482 2.084 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000246756377 402543719 /nfs/dbraw/zinc/54/37/19/402543719.db2.gz MLTNJHLGHKGBDC-BRWVUGGUSA-N 2 0 322.497 2.129 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000246185521 402516865 /nfs/dbraw/zinc/51/68/65/402516865.db2.gz MCXGQCXQFZQYGV-BBWFWOEESA-N 2 0 324.513 2.231 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCOCC2 ZINC000248905267 402613981 /nfs/dbraw/zinc/61/39/81/402613981.db2.gz BAYWDVPNWHKDEK-LUKYLMHMSA-N 2 0 308.466 2.177 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C12CCOCC2 ZINC000249060715 402618861 /nfs/dbraw/zinc/61/88/61/402618861.db2.gz YLJMOLBRIIAEDN-LUKYLMHMSA-N 2 0 310.482 2.281 10 0 DEAERP COC[C@H](C)C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000249774014 402641696 /nfs/dbraw/zinc/64/16/96/402641696.db2.gz KACWKEUITYYZRW-MJGOQNOKSA-N 2 0 319.493 2.237 10 0 DEAERP Cc1cccc(NC[C@@H]2CCN(CC(=O)OCC(C)C)C2)[nH+]1 ZINC000181462147 402646023 /nfs/dbraw/zinc/64/60/23/402646023.db2.gz CJKCAAMFZGPKPH-HNNXBMFYSA-N 2 0 305.422 2.323 10 0 DEAERP CCC(CC)(CNC(=O)C1C[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000263294821 402755263 /nfs/dbraw/zinc/75/52/63/402755263.db2.gz MERHKMSIMPKWNF-AWEZNQCLSA-N 2 0 303.450 2.232 10 0 DEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183434234 402767020 /nfs/dbraw/zinc/76/70/20/402767020.db2.gz PETRJPGDMDEYHD-AWEZNQCLSA-N 2 0 306.454 2.388 10 0 DEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000183471135 402770408 /nfs/dbraw/zinc/77/04/08/402770408.db2.gz IOXRFWPPBASHBH-CQSZACIVSA-N 2 0 318.446 2.242 10 0 DEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000262263045 402723692 /nfs/dbraw/zinc/72/36/92/402723692.db2.gz GUGQQCFJNDQVLB-YESZJQIVSA-N 2 0 309.498 2.377 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C12CCOCC2 ZINC000248922973 286397768 /nfs/dbraw/zinc/39/77/68/286397768.db2.gz FKIYGBLFBXTNSX-WCXIOVBPSA-N 2 0 310.482 2.423 10 0 DEAERP FC(F)CN1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000361441894 405077175 /nfs/dbraw/zinc/07/71/75/405077175.db2.gz FNIMAGHOCCFJMO-UHFFFAOYSA-N 2 0 301.425 2.322 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000423028012 405695355 /nfs/dbraw/zinc/69/53/55/405695355.db2.gz FKYAPGKJYAZICH-QGPMSJSTSA-N 2 0 302.418 2.259 10 0 DEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638111666 406574351 /nfs/dbraw/zinc/57/43/51/406574351.db2.gz PENDMGSAMUNQHE-AEFFLSMTSA-N 2 0 313.445 2.014 10 0 DEAERP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638307209 406687978 /nfs/dbraw/zinc/68/79/78/406687978.db2.gz HVEGRDCMZWOGJT-BMGDILEWSA-N 2 0 313.445 2.061 10 0 DEAERP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638424747 406764718 /nfs/dbraw/zinc/76/47/18/406764718.db2.gz FDFSFZHWFZSWJP-RDJZCZTQSA-N 2 0 315.461 2.142 10 0 DEAERP CCC[NH2+][C@@H](CCCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000129433175 196047685 /nfs/dbraw/zinc/04/76/85/196047685.db2.gz DFGRWIJRKFVPIJ-UYTSQGDYSA-N 2 0 316.511 2.052 10 0 DEAERP CC[C@@](C)(C[NH2+]CC(C)C)C[NH+]1CCC(OCCO)CC1 ZINC000129427848 196047960 /nfs/dbraw/zinc/04/79/60/196047960.db2.gz XKIXVCYTMHZAPP-KRWDZBQOSA-N 2 0 300.487 2.122 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237683091 287271750 /nfs/dbraw/zinc/27/17/50/287271750.db2.gz KRQDCTOVAMCZGP-YYIAUSFCSA-N 2 0 307.482 2.227 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379663993 424908251 /nfs/dbraw/zinc/90/82/51/424908251.db2.gz NGNAOSOFAYYEBA-WBVHZDCISA-N 2 0 305.466 2.387 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000398035626 424922122 /nfs/dbraw/zinc/92/21/22/424922122.db2.gz PNNWLXKYOXANKM-LTDKPHRXSA-N 2 0 315.461 2.283 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000398041133 424922748 /nfs/dbraw/zinc/92/27/48/424922748.db2.gz RXWMKVARIUPDDI-LAVFITLUSA-N 2 0 315.461 2.141 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCC([NH3+])CC1 ZINC000309821539 424894259 /nfs/dbraw/zinc/89/42/59/424894259.db2.gz POXOVTLPNFHUBC-ODIFPOPNSA-N 2 0 303.450 2.141 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H](C)O1 ZINC000397587716 269107006 /nfs/dbraw/zinc/10/70/06/269107006.db2.gz KFOZQSKZUWZOEY-SOLBZPMBSA-N 2 0 318.461 2.169 10 0 DEAERP C[C@@]1(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)CC[NH2+]C1 ZINC000262100092 278122025 /nfs/dbraw/zinc/12/20/25/278122025.db2.gz VMGIBBPPRJVBQS-PKOBYXMFSA-N 2 0 313.445 2.434 10 0 DEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC000236625587 278546485 /nfs/dbraw/zinc/54/64/85/278546485.db2.gz KTVSIQUHIISAFL-OKZBNKHCSA-N 2 0 321.509 2.474 10 0 DEAERP CCC[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[NH+](C)C ZINC000137056133 278855779 /nfs/dbraw/zinc/85/57/79/278855779.db2.gz FEMQWDFHZIAPPO-JKSUJKDBSA-N 2 0 309.429 2.275 10 0 DEAERP O=C1CCCCN1CC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000119970051 280250489 /nfs/dbraw/zinc/25/04/89/280250489.db2.gz WDQGFRLTYPXDHD-UHFFFAOYSA-N 2 0 307.482 2.197 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1CCC[NH+]1CC ZINC000245429920 281053123 /nfs/dbraw/zinc/05/31/23/281053123.db2.gz ZHIOVCBDXQVXGY-DLBZAZTESA-N 2 0 324.513 2.377 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C2)[nH+]1 ZINC000195516157 281245254 /nfs/dbraw/zinc/24/52/54/281245254.db2.gz OKPHYCQVBYOKCX-HOTGVXAUSA-N 2 0 318.465 2.285 10 0 DEAERP C[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000072817254 281536385 /nfs/dbraw/zinc/53/63/85/281536385.db2.gz GDXDHCMCSVNCJV-UHFFFAOYSA-N 2 0 315.461 2.240 10 0 DEAERP C[NH+](C)CC[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)C(C)(C)C ZINC000172193204 289177409 /nfs/dbraw/zinc/17/74/09/289177409.db2.gz RNSXMGMZGUGKRU-MRXNPFEDSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000124619958 297283568 /nfs/dbraw/zinc/28/35/68/297283568.db2.gz QKYZJSOREIPEPQ-MSOLQXFVSA-N 3 0 322.541 2.009 10 0 DEAERP O=C(CC1CCCC1)NC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178972687 303573547 /nfs/dbraw/zinc/57/35/47/303573547.db2.gz ZQZRDBYPGINNPU-UHFFFAOYSA-N 2 0 307.482 2.147 10 0 DEAERP COC[C@@H](C)C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000187686114 332982527 /nfs/dbraw/zinc/98/25/27/332982527.db2.gz WABAGAIQHGZZAI-SFHVURJKSA-N 2 0 319.493 2.461 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[C@H]1CCOC1 ZINC000423028013 534503064 /nfs/dbraw/zinc/50/30/64/534503064.db2.gz FKYAPGKJYAZICH-QILLFSRXSA-N 2 0 302.418 2.259 10 0 DEAERP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000230393595 646727749 /nfs/dbraw/zinc/72/77/49/646727749.db2.gz NATYCHAJDLJMGS-OWCLPIDISA-N 2 0 323.481 2.460 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000194693558 685075647 /nfs/dbraw/zinc/07/56/47/685075647.db2.gz XIIBCEHXBORKDW-INIZCTEOSA-N 2 0 312.502 2.282 10 0 DEAERP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000712463021 792190284 /nfs/dbraw/zinc/19/02/84/792190284.db2.gz OUZHNQKWTWIZAC-UHFFFAOYSA-N 2 0 315.259 2.004 10 0 DEAERP COC(=O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702039500 1086402432 /nfs/dbraw/zinc/40/24/32/1086402432.db2.gz LPTNTQHCYUMXAB-AEFFLSMTSA-N 2 0 302.418 2.003 10 0 DEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000082539627 185190978 /nfs/dbraw/zinc/19/09/78/185190978.db2.gz WYPYYELRWZXGJP-VIFPVBQESA-N 2 0 306.273 2.004 10 0 DEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000082539629 185191041 /nfs/dbraw/zinc/19/10/41/185191041.db2.gz WYPYYELRWZXGJP-SECBINFHSA-N 2 0 306.273 2.004 10 0 DEAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000087912680 185237436 /nfs/dbraw/zinc/23/74/36/185237436.db2.gz SKPZYFZBPDSURK-ZDUSSCGKSA-N 2 0 301.381 2.219 10 0 DEAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)C1 ZINC000249032411 534957292 /nfs/dbraw/zinc/95/72/92/534957292.db2.gz STNRJEWECLGBEN-IXDOHACOSA-N 2 0 310.482 2.282 10 0 DEAERP C[NH+](C)CCCN1Cc2c(cccc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000071684157 191009067 /nfs/dbraw/zinc/00/90/67/191009067.db2.gz KRTUYPCKJRZJDY-AWEZNQCLSA-N 2 0 301.356 2.473 10 0 DEAERP [NH3+]C1CCN(CC[NH2+]Cc2sccc2Br)CC1 ZINC000148344666 186044258 /nfs/dbraw/zinc/04/42/58/186044258.db2.gz PSNOMNSHWKJNSL-UHFFFAOYSA-N 2 0 318.284 2.023 10 0 DEAERP CC[NH2+][C@H](Cc1ccc(CC)s1)C[C@@H]1C[N@H+](C)CCN1C ZINC000149690168 186052730 /nfs/dbraw/zinc/05/27/30/186052730.db2.gz IHSIRDAWDRHFBN-LSDHHAIUSA-N 2 0 309.523 2.467 10 0 DEAERP CC(C)[NH2+]CCCC(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164147805 186150381 /nfs/dbraw/zinc/15/03/81/186150381.db2.gz PJGRTUBKIVOLDC-UHFFFAOYSA-N 2 0 300.834 2.059 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901097 198003741 /nfs/dbraw/zinc/00/37/41/198003741.db2.gz HPXYSNKMMVOSFJ-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000174780171 198384734 /nfs/dbraw/zinc/38/47/34/198384734.db2.gz WTOVGOSHWZTDNP-HFTRVMKXSA-N 2 0 324.440 2.228 10 0 DEAERP CSCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000040462730 354169768 /nfs/dbraw/zinc/16/97/68/354169768.db2.gz MZXIWJGRQGVYAE-HNNXBMFYSA-N 2 0 307.463 2.301 10 0 DEAERP COc1ccccc1N1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000031934053 354141309 /nfs/dbraw/zinc/14/13/09/354141309.db2.gz YYFLJYAHQSFZDR-UHFFFAOYSA-N 2 0 311.429 2.476 10 0 DEAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182830781 356147702 /nfs/dbraw/zinc/14/77/02/356147702.db2.gz VDJCQYIHZJPOCQ-HOTGVXAUSA-N 2 0 316.511 2.054 10 0 DEAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000262327359 356341264 /nfs/dbraw/zinc/34/12/64/356341264.db2.gz XGLDOQKWHRABHH-SJORKVTESA-N 2 0 303.450 2.272 10 0 DEAERP CC[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000262665950 356343694 /nfs/dbraw/zinc/34/36/94/356343694.db2.gz JTABYAWCOOKKKW-CGTJXYLNSA-N 2 0 315.461 2.067 10 0 DEAERP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400420279 283156762 /nfs/dbraw/zinc/15/67/62/283156762.db2.gz WSQOZPWTOUGZEY-QFBILLFUSA-N 3 0 301.478 2.486 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000246228036 296069405 /nfs/dbraw/zinc/06/94/05/296069405.db2.gz HKZSRTUWDCFGJC-XDNAFOTISA-N 2 0 319.493 2.242 10 0 DEAERP CC1(C)[C@@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1OCc1ccccc1 ZINC000629389022 367188301 /nfs/dbraw/zinc/18/83/01/367188301.db2.gz HZDRPZZQYSAXNW-IRXDYDNUSA-N 2 0 318.461 2.468 10 0 DEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000022174362 182311827 /nfs/dbraw/zinc/31/18/27/182311827.db2.gz BNEYGNAXUNOYPE-LLVKDONJSA-N 2 0 316.243 2.070 10 0 DEAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000262429728 284582015 /nfs/dbraw/zinc/58/20/15/284582015.db2.gz FSVNTAJJIJGAMZ-MRXNPFEDSA-N 2 0 309.498 2.345 10 0 DEAERP [NH3+]CCc1cccc(Br)c1OCC[NH+]1CCCC1 ZINC000042412650 183266018 /nfs/dbraw/zinc/26/60/18/183266018.db2.gz RTONTZFKTNZHCL-UHFFFAOYSA-N 2 0 313.239 2.425 10 0 DEAERP CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCCN(C(C)=O)CC1 ZINC000043248982 183346366 /nfs/dbraw/zinc/34/63/66/183346366.db2.gz FBBPWCASFJCEBX-GJZGRUSLSA-N 2 0 309.479 2.389 10 0 DEAERP C[C@H]1CN(c2nc(-c3ccccc3)c(C[NH3+])s2)CC[N@@H+]1C ZINC000110760105 194356727 /nfs/dbraw/zinc/35/67/27/194356727.db2.gz MVMLXNKJKFHOTM-LBPRGKRZSA-N 2 0 302.447 2.409 10 0 DEAERP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062014487 184201827 /nfs/dbraw/zinc/20/18/27/184201827.db2.gz ZDXQTAFCELBHNR-STQMWFEESA-N 2 0 309.841 2.153 10 0 DEAERP COCC[NH2+]Cc1c(Cl)cccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062967054 184263048 /nfs/dbraw/zinc/26/30/48/184263048.db2.gz NOGWWDXNPUVSPM-CYBMUJFWSA-N 2 0 311.857 2.216 10 0 DEAERP CCC[NH2+]Cc1nc(CN(C)CC2CC[NH+](C)CC2)cs1 ZINC000063124091 184271609 /nfs/dbraw/zinc/27/16/09/184271609.db2.gz MXFZEBFEDVBBAH-UHFFFAOYSA-N 2 0 310.511 2.416 10 0 DEAERP CCc1ccc([C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000063178299 184276697 /nfs/dbraw/zinc/27/66/97/184276697.db2.gz XTLUYYUBVZOGKD-STQMWFEESA-N 2 0 309.479 2.158 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000539417315 285076838 /nfs/dbraw/zinc/07/68/38/285076838.db2.gz QIEZAUKFZZYTBL-UHFFFAOYSA-N 2 0 303.450 2.306 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+](C)CCOC(C)C ZINC000157769116 197213938 /nfs/dbraw/zinc/21/39/38/197213938.db2.gz HWCFVOJTNIZMEU-SJORKVTESA-N 2 0 300.487 2.264 10 0 DEAERP NC1=[NH+]C[C@@]2(CC[N@@H+]3CCC[C@@H]3C2)N1c1ccc(Cl)cc1 ZINC000157255001 197174132 /nfs/dbraw/zinc/17/41/32/197174132.db2.gz FQQPMHBWFOETEL-ZBFHGGJFSA-N 2 0 304.825 2.472 10 0 DEAERP CC[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)c2C(N)=S)CC1 ZINC000156672545 197132552 /nfs/dbraw/zinc/13/25/52/197132552.db2.gz TXBJWHBRNPRSPA-LBPRGKRZSA-N 2 0 306.479 2.253 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247426053 285265915 /nfs/dbraw/zinc/26/59/15/285265915.db2.gz VOSQCIRWQLUXOM-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000362888354 133257517 /nfs/dbraw/zinc/25/75/17/133257517.db2.gz BLKWKKIGJMHCQY-UHFFFAOYSA-N 2 0 321.440 2.106 10 0 DEAERP Cc1ccc(CNC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246923907 145119909 /nfs/dbraw/zinc/11/99/09/145119909.db2.gz QCPLTVQILHFEHP-HOCLYGCPSA-N 2 0 321.440 2.165 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246951149 145120608 /nfs/dbraw/zinc/12/06/08/145120608.db2.gz DCIRCPMFZXKLSU-JKSUJKDBSA-N 2 0 310.486 2.034 10 0 DEAERP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247944541 145145439 /nfs/dbraw/zinc/14/54/39/145145439.db2.gz HEXOYWUAQAKEGI-YQVWRLOYSA-N 2 0 318.461 2.151 10 0 DEAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248825651 145169469 /nfs/dbraw/zinc/16/94/69/145169469.db2.gz GWTJAHIRULTFKD-HUUCEWRRSA-N 2 0 303.406 2.142 10 0 DEAERP CC(C)([NH3+])CN(CCO)Cc1cc(Br)cs1 ZINC000261636722 145212483 /nfs/dbraw/zinc/21/24/83/145212483.db2.gz DAEOZVOTGQFHCE-UHFFFAOYSA-N 2 0 307.257 2.042 10 0 DEAERP c1nc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000261701653 145218449 /nfs/dbraw/zinc/21/84/49/145218449.db2.gz IAYJKWOMBOXDDT-INIZCTEOSA-N 2 0 302.466 2.398 10 0 DEAERP Cn1c2ccc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cc2sc1=O ZINC000261792210 145226908 /nfs/dbraw/zinc/22/69/08/145226908.db2.gz GGCLDKUQLYQMMR-LBPRGKRZSA-N 2 0 305.447 2.161 10 0 DEAERP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000261811705 145229218 /nfs/dbraw/zinc/22/92/18/145229218.db2.gz HLESAYHWEBYPFY-SJORKVTESA-N 2 0 315.461 2.237 10 0 DEAERP C[NH2+]CCc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000261883916 145237943 /nfs/dbraw/zinc/23/79/43/145237943.db2.gz MVMIZESAOMMCDP-ALOPSCKCSA-N 2 0 315.461 2.194 10 0 DEAERP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261910128 145240453 /nfs/dbraw/zinc/24/04/53/145240453.db2.gz XWNOWXSTHPRGTM-GOSISDBHSA-N 2 0 303.450 2.210 10 0 DEAERP CCOC(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)Cc2ccccc21 ZINC000261920482 145242073 /nfs/dbraw/zinc/24/20/73/145242073.db2.gz KJMXOIKSSYJNPD-QGZVFWFLSA-N 2 0 302.418 2.149 10 0 DEAERP C[C@H]([NH3+])C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261925193 145242691 /nfs/dbraw/zinc/24/26/91/145242691.db2.gz INXYKXMAQONFBL-STQMWFEESA-N 2 0 307.413 2.062 10 0 DEAERP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261927410 145243460 /nfs/dbraw/zinc/24/34/60/145243460.db2.gz IXBNQWAKLXKNIT-NVXWUHKLSA-N 2 0 307.482 2.371 10 0 DEAERP C[NH2+]CCC1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261989978 145250807 /nfs/dbraw/zinc/25/08/07/145250807.db2.gz SHEHTOWWFYJVLZ-UHFFFAOYSA-N 2 0 319.474 2.422 10 0 DEAERP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)s2)cc1 ZINC000262074420 145258842 /nfs/dbraw/zinc/25/88/42/145258842.db2.gz DAMQOICITRTTOW-ZBFHGGJFSA-N 2 0 302.443 2.393 10 0 DEAERP C[C@H](Cc1nc(-c2ccc(C[NH3+])cc2)no1)C1CC[NH2+]CC1 ZINC000262131643 145264722 /nfs/dbraw/zinc/26/47/22/145264722.db2.gz YEKAXYDEGQDNJJ-GFCCVEGCSA-N 2 0 300.406 2.374 10 0 DEAERP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000309894778 145351047 /nfs/dbraw/zinc/35/10/47/145351047.db2.gz NPVAWLWUNCAOQL-QZTJIDSGSA-N 2 0 315.461 2.014 10 0 DEAERP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C(=O)OC(C)(C)C ZINC000310002947 145351984 /nfs/dbraw/zinc/35/19/84/145351984.db2.gz RSGXVWSSSDKVRR-FFHGMXDLSA-N 2 0 311.470 2.457 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654655 145396820 /nfs/dbraw/zinc/39/68/20/145396820.db2.gz DUICVCHSRKFSOT-UHOSZYNNSA-N 3 0 319.493 2.241 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000358625146 147168447 /nfs/dbraw/zinc/16/84/47/147168447.db2.gz CCOZDGVQOVULNK-UHFFFAOYSA-N 2 0 322.497 2.012 10 0 DEAERP CC1=CC[NH+](CCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358666843 147177661 /nfs/dbraw/zinc/17/76/61/147177661.db2.gz OAXNABSKPQCOJO-QGZVFWFLSA-N 2 0 322.497 2.202 10 0 DEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000359283121 147298459 /nfs/dbraw/zinc/29/84/59/147298459.db2.gz YBPPHWOQHBVRNH-QGZVFWFLSA-N 2 0 309.498 2.443 10 0 DEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119043139 401921196 /nfs/dbraw/zinc/92/11/96/401921196.db2.gz KHWAMHFMDNDPAV-JCYILVPMSA-N 2 0 324.513 2.088 10 0 DEAERP Cc1noc(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000089518220 401950923 /nfs/dbraw/zinc/95/09/23/401950923.db2.gz XNZPJRFYWNRQJG-ZDUSSCGKSA-N 2 0 318.421 2.212 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000154104999 402192780 /nfs/dbraw/zinc/19/27/80/402192780.db2.gz NUWNZLIYHIQAJI-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154514273 402216598 /nfs/dbraw/zinc/21/65/98/402216598.db2.gz RNLGBNGQHOEGNA-WBVHZDCISA-N 2 0 305.466 2.372 10 0 DEAERP C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000154550905 402218308 /nfs/dbraw/zinc/21/83/08/402218308.db2.gz HRWVURMGUAARAB-RDJZCZTQSA-N 2 0 305.466 2.372 10 0 DEAERP CC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128321 402212346 /nfs/dbraw/zinc/21/23/46/402212346.db2.gz QQQUWEONJFNDJN-LJQANCHMSA-N 2 0 318.461 2.343 10 0 DEAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177035778 402362460 /nfs/dbraw/zinc/36/24/60/402362460.db2.gz KVDXTYGRDXRPQL-RTBURBONSA-N 2 0 320.477 2.228 10 0 DEAERP C[C@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000185187990 402332439 /nfs/dbraw/zinc/33/24/39/402332439.db2.gz KQJGEEVUOICQQM-JKSUJKDBSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]([NH3+])c1ccccc1 ZINC000237573520 402413093 /nfs/dbraw/zinc/41/30/93/402413093.db2.gz UJCJKDFJKPSCEF-HYLRJUEESA-N 2 0 301.434 2.064 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237673894 402417624 /nfs/dbraw/zinc/41/76/24/402417624.db2.gz SFCBOVNBEGAQGH-QZWWFDLISA-N 2 0 307.482 2.288 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000177664685 402424666 /nfs/dbraw/zinc/42/46/66/402424666.db2.gz FMWLFXRMYUWESI-ZDUSSCGKSA-N 2 0 312.404 2.489 10 0 DEAERP Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1nccs1 ZINC000245952357 402500025 /nfs/dbraw/zinc/50/00/25/402500025.db2.gz PNYOZPBOEDZGAN-DGCLKSJQSA-N 2 0 319.434 2.140 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246383581 402528215 /nfs/dbraw/zinc/52/82/15/402528215.db2.gz IMGFBEGYCBZNKL-ULQDDVLXSA-N 2 0 324.513 2.090 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170830043 402530489 /nfs/dbraw/zinc/53/04/89/402530489.db2.gz OTJRRYAHTMCVDH-ZACQAIPSSA-N 2 0 324.513 2.090 10 0 DEAERP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246427790 402530810 /nfs/dbraw/zinc/53/08/10/402530810.db2.gz MKVKCFXQPBVZSZ-ZACQAIPSSA-N 2 0 324.513 2.233 10 0 DEAERP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246474796 402532584 /nfs/dbraw/zinc/53/25/84/402532584.db2.gz QHYOTFKJSMOBDT-JKSUJKDBSA-N 2 0 312.502 2.090 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000246570980 402537263 /nfs/dbraw/zinc/53/72/63/402537263.db2.gz YPDIDGVNCJBWIJ-YVSFHVDLSA-N 2 0 324.513 2.231 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000249095628 402620846 /nfs/dbraw/zinc/62/08/46/402620846.db2.gz VKXFRMKGBBNPEH-QZTJIDSGSA-N 2 0 309.498 2.046 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)C ZINC000174355745 402737976 /nfs/dbraw/zinc/73/79/76/402737976.db2.gz QRDDOBDFKZVKCV-QGZVFWFLSA-N 2 0 322.497 2.151 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174522049 402745231 /nfs/dbraw/zinc/74/52/31/402745231.db2.gz UBGAQOAQYZWPQZ-NVXWUHKLSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263295483 402755415 /nfs/dbraw/zinc/75/54/15/402755415.db2.gz WGJZMJMLTZRLHG-RULNRJAQSA-N 2 0 303.233 2.094 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000175781485 402832221 /nfs/dbraw/zinc/83/22/21/402832221.db2.gz GCAODUFYOIJGJJ-SJORKVTESA-N 2 0 324.513 2.375 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000194134812 402785109 /nfs/dbraw/zinc/78/51/09/402785109.db2.gz ACJTZDDCHAAZGK-JKSUJKDBSA-N 2 0 310.486 2.034 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000194148056 402785728 /nfs/dbraw/zinc/78/57/28/402785728.db2.gz ZOLQKZAZPZPWMH-KRWDZBQOSA-N 2 0 324.513 2.282 10 0 DEAERP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccccc1 ZINC000333559162 403780627 /nfs/dbraw/zinc/78/06/27/403780627.db2.gz KPHOOXOTIZNUHT-QBPKDAKJSA-N 2 0 316.449 2.001 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118547 406579052 /nfs/dbraw/zinc/57/90/52/406579052.db2.gz AKHSFJKQKXDBTQ-YJBOKZPZSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000643489439 407006886 /nfs/dbraw/zinc/00/68/86/407006886.db2.gz JIXRTRBCHYJMCS-VXGBXAGGSA-N 2 0 315.259 2.013 10 0 DEAERP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000129254720 196032834 /nfs/dbraw/zinc/03/28/34/196032834.db2.gz KBYYOZPYICWHIC-WTUNAVPPSA-N 2 0 310.873 2.385 10 0 DEAERP CCOCC[NH+](CCOCC)CC(C)(C)[C@@H]1CCC[NH2+]C1 ZINC000135117201 196445957 /nfs/dbraw/zinc/44/59/57/196445957.db2.gz IDQZWTYVKPYFHQ-MRXNPFEDSA-N 2 0 300.487 2.387 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000380900398 424908824 /nfs/dbraw/zinc/90/88/24/424908824.db2.gz OUAFDCNBVRGUSC-KRWDZBQOSA-N 2 0 303.450 2.141 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390700832 424917793 /nfs/dbraw/zinc/91/77/93/424917793.db2.gz CQFPQIJDQFJXOE-QZTJIDSGSA-N 2 0 317.477 2.388 10 0 DEAERP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309924343 424893991 /nfs/dbraw/zinc/89/39/91/424893991.db2.gz WYHUKGWNEWIAQF-MSOLQXFVSA-N 2 0 315.461 2.014 10 0 DEAERP Nc1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310102036 424894826 /nfs/dbraw/zinc/89/48/26/424894826.db2.gz YFMADIPFOWGXHU-INIZCTEOSA-N 2 0 324.428 2.306 10 0 DEAERP c1ccc(C[N@@H+]2CCCO[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619064 269098240 /nfs/dbraw/zinc/09/82/40/269098240.db2.gz YZNGCNAMQAKGEA-MOPGFXCFSA-N 2 0 317.477 2.009 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398047017 269108104 /nfs/dbraw/zinc/10/81/04/269108104.db2.gz WDVTYVKTVFONIN-NEPXVJNWSA-N 2 0 301.478 2.485 10 0 DEAERP C[NH+](C)C1CC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497077045 269283850 /nfs/dbraw/zinc/28/38/50/269283850.db2.gz MWVVZIXKRVYEKS-NFOMZHRRSA-N 2 0 311.470 2.316 10 0 DEAERP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000261811702 276125347 /nfs/dbraw/zinc/12/53/47/276125347.db2.gz HLESAYHWEBYPFY-IRXDYDNUSA-N 2 0 315.461 2.237 10 0 DEAERP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261805687 277103972 /nfs/dbraw/zinc/10/39/72/277103972.db2.gz HIATWQWKUNETJQ-SJORKVTESA-N 2 0 308.466 2.430 10 0 DEAERP C[C@@H]1CCC[C@](CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000262036109 278525240 /nfs/dbraw/zinc/52/52/40/278525240.db2.gz XZIYLHPUWQFALW-QQXKLLMISA-N 2 0 323.525 2.244 10 0 DEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000262378550 279849800 /nfs/dbraw/zinc/84/98/00/279849800.db2.gz LBJBBTWVRJVWAB-YESZJQIVSA-N 2 0 309.498 2.247 10 0 DEAERP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739720 289346882 /nfs/dbraw/zinc/34/68/82/289346882.db2.gz KPBSODAWJOWPJJ-OAHLLOKOSA-N 2 0 307.482 2.242 10 0 DEAERP C[C@@H]1C[N@@H+](C[C@H]2CCCN2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000246166584 297027394 /nfs/dbraw/zinc/02/73/94/297027394.db2.gz BWJHEYZRPOCLNR-FGTMMUONSA-N 2 0 309.498 2.046 10 0 DEAERP C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000188076507 533832051 /nfs/dbraw/zinc/83/20/51/533832051.db2.gz ALNNTBZMGDKZCR-HNNXBMFYSA-N 2 0 306.450 2.440 10 0 DEAERP CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261928868 535280321 /nfs/dbraw/zinc/28/03/21/535280321.db2.gz JDPQIHWRMXFCIR-ZACQAIPSSA-N 2 0 307.482 2.145 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458468071 535448077 /nfs/dbraw/zinc/44/80/77/535448077.db2.gz WHYQGMYTZDLDSH-QGZVFWFLSA-N 2 0 324.513 2.140 10 0 DEAERP C[NH+](C)CCOc1cccc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000262513344 535913596 /nfs/dbraw/zinc/91/35/96/535913596.db2.gz NDDFICBHJOEQFJ-UHFFFAOYSA-N 2 0 313.401 2.338 10 0 DEAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000262547603 536048924 /nfs/dbraw/zinc/04/89/24/536048924.db2.gz RXIWSEXIGSJXIJ-MRXNPFEDSA-N 2 0 303.450 2.143 10 0 DEAERP NC(=O)[C@H](c1ccccc1)N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299740784 563938577 /nfs/dbraw/zinc/93/85/77/563938577.db2.gz BSDBPGZMNFATQQ-QAPCUYQASA-N 2 0 324.428 2.235 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000742098016 638036251 /nfs/dbraw/zinc/03/62/51/638036251.db2.gz DKOYMODHHZWUDI-UHFFFAOYSA-N 2 0 309.498 2.491 10 0 DEAERP Cn1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C)c3)C2)c1 ZINC000886088673 692000704 /nfs/dbraw/zinc/00/07/04/692000704.db2.gz IBXNIZWETBNHBO-SFHVURJKSA-N 2 0 314.433 2.135 10 0 DEAERP O[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638683 792982671 /nfs/dbraw/zinc/98/26/71/792982671.db2.gz PUYHTDDGTYRZBK-QXCZDIPSSA-N 2 0 300.446 2.400 10 0 DEAERP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)NC ZINC000716714775 793002787 /nfs/dbraw/zinc/00/27/87/793002787.db2.gz WFZWQQCKJNUPMB-MHORFTMASA-N 2 0 315.461 2.154 10 0 DEAERP c1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000060979554 1078886892 /nfs/dbraw/zinc/88/68/92/1078886892.db2.gz VJJDKCVMHKLYMW-UHFFFAOYSA-N 2 0 314.433 2.074 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000136665999 282089029 /nfs/dbraw/zinc/08/90/29/282089029.db2.gz MDPJIHZHYADDKF-KLAILNCOSA-N 2 0 324.513 2.280 10 0 DEAERP C[N@@H+](Cc1ccc(N)c(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000078898906 185125580 /nfs/dbraw/zinc/12/55/80/185125580.db2.gz DYEXNYLHZUEOHU-GFCCVEGCSA-N 2 0 312.255 2.415 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000079292527 185163667 /nfs/dbraw/zinc/16/36/67/185163667.db2.gz ZLSZJXZXVPIPAU-HOTGVXAUSA-N 2 0 312.502 2.136 10 0 DEAERP [NH3+]C[C@H]1CC[C@@H](C[NH2+]Cc2sccc2Br)O1 ZINC000087575936 185228806 /nfs/dbraw/zinc/22/88/06/185228806.db2.gz SFXAJSVJTQSGCQ-BDAKNGLRSA-N 2 0 305.241 2.107 10 0 DEAERP CC[NH2+][C@@H]1CCC2(C[C@@H]1SCC[NH+](CC)CC)OCCO2 ZINC000088735834 185263503 /nfs/dbraw/zinc/26/35/03/185263503.db2.gz RAMJNXNABOFJLA-CABCVRRESA-N 2 0 316.511 2.335 10 0 DEAERP C=Cn1cc(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000194783557 282365370 /nfs/dbraw/zinc/36/53/70/282365370.db2.gz NRJDBBVXRNFFCJ-KRWDZBQOSA-N 2 0 311.433 2.333 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(CC)CC ZINC000181559543 539651611 /nfs/dbraw/zinc/65/16/11/539651611.db2.gz VMUMHJQIUIPDJJ-YESZJQIVSA-N 2 0 312.498 2.407 10 0 DEAERP C[NH2+][C@@H](C[C@H]1C[N@H+](C)CCN1C)c1ccc(F)c(F)c1F ZINC000149554833 186051065 /nfs/dbraw/zinc/05/10/65/186051065.db2.gz LIIFYOHZVFKSHB-GWCFXTLKSA-N 2 0 301.356 2.000 10 0 DEAERP C[C@@H]([NH3+])CCC[C@H](C)C(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164298141 186155459 /nfs/dbraw/zinc/15/54/59/186155459.db2.gz OQUZUJZMCKEIHH-NWDGAFQWSA-N 2 0 314.861 2.434 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000309730798 539878274 /nfs/dbraw/zinc/87/82/74/539878274.db2.gz OZRONCHGRXLOMA-NVXWUHKLSA-N 2 0 303.450 2.013 10 0 DEAERP CC[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000262665949 356343683 /nfs/dbraw/zinc/34/36/83/356343683.db2.gz JTABYAWCOOKKKW-BPQIPLTHSA-N 2 0 315.461 2.067 10 0 DEAERP C[C@H]([NH3+])CCC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000193311610 201027282 /nfs/dbraw/zinc/02/72/82/201027282.db2.gz FDRXUKLGBIKLGB-HNNXBMFYSA-N 2 0 303.450 2.237 10 0 DEAERP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)[C@@H]2C1 ZINC000623526709 365063141 /nfs/dbraw/zinc/06/31/41/365063141.db2.gz OTLFHEKGNQCSNP-HZMVEIRTSA-N 2 0 307.482 2.096 10 0 DEAERP CSC1(C[NH3+])CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000091472968 193061581 /nfs/dbraw/zinc/06/15/81/193061581.db2.gz IFCOMOFMBQUEIU-INIZCTEOSA-N 2 0 306.475 2.457 10 0 DEAERP Brc1cnccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532904 367238002 /nfs/dbraw/zinc/23/80/02/367238002.db2.gz XVLSTQCXOYAFGV-TXEJJXNPSA-N 2 0 310.239 2.276 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000629562738 367253520 /nfs/dbraw/zinc/25/35/20/367253520.db2.gz GDAJKIVIXZOIMM-UHFFFAOYSA-N 2 0 301.228 2.117 10 0 DEAERP c1ccc(OCCOCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888131 368443199 /nfs/dbraw/zinc/44/31/99/368443199.db2.gz UGTIAMDKDQLFJP-AEFFLSMTSA-N 2 0 304.434 2.156 10 0 DEAERP COCC[NH2+]Cc1sc(N(C)CC[NH+](C)C)nc1C(C)C ZINC000093000392 193192866 /nfs/dbraw/zinc/19/28/66/193192866.db2.gz DNMSONWNQDXWFU-UHFFFAOYSA-N 2 0 314.499 2.000 10 0 DEAERP CCC[NH2+][C@@]1(CO)CC[C@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093857096 193319472 /nfs/dbraw/zinc/31/94/72/193319472.db2.gz ZYICVWIUZJKNEX-IRXDYDNUSA-N 2 0 300.487 2.407 10 0 DEAERP C[N@@H+]1CCCC[C@@H]1COc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334537 193360596 /nfs/dbraw/zinc/36/05/96/193360596.db2.gz XWPBDVCKOPGOHU-LLVKDONJSA-N 2 0 303.328 2.422 10 0 DEAERP CC(C)[NH2+]CC1CC[NH+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644249 193389538 /nfs/dbraw/zinc/38/95/38/193389538.db2.gz BDHQJXWZOWCELT-CVEARBPZSA-N 2 0 316.511 2.052 10 0 DEAERP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261626063 284688984 /nfs/dbraw/zinc/68/89/84/284688984.db2.gz BIERMDPVRQQGRU-YYIAUSFCSA-N 2 0 309.498 2.378 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccccc2)CC1 ZINC000105862055 194148822 /nfs/dbraw/zinc/14/88/22/194148822.db2.gz OKIIUMNEAFMNPL-MRXNPFEDSA-N 2 0 306.450 2.090 10 0 DEAERP C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CC[NH+](C)C ZINC000111130450 194393374 /nfs/dbraw/zinc/39/33/74/194393374.db2.gz FEYGCZUKQLZQRY-JOYOIKCWSA-N 2 0 320.300 2.392 10 0 DEAERP CC[C@@H]([NH3+])[C@H](N1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000062038031 184202721 /nfs/dbraw/zinc/20/27/21/184202721.db2.gz MGGBHQWMDRFMMQ-KGLIPLIRSA-N 2 0 307.404 2.462 10 0 DEAERP CCC[NH2+]Cc1c(N2CC[C@H]([NH+](C)C)C2)nc2sccn12 ZINC000062966986 184262816 /nfs/dbraw/zinc/26/28/16/184262816.db2.gz XNANZOQWJRCHRZ-LBPRGKRZSA-N 2 0 307.467 2.036 10 0 DEAERP CC[NH2+][C@@H](c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000158769654 197300442 /nfs/dbraw/zinc/30/04/42/197300442.db2.gz VORYVBJZVCFUPG-GFCCVEGCSA-N 2 0 315.259 2.268 10 0 DEAERP CC(C)C[C@@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000158442527 197272847 /nfs/dbraw/zinc/27/28/47/197272847.db2.gz NDTGUTCYJBJYOS-LLVKDONJSA-N 2 0 303.248 2.253 10 0 DEAERP CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+](C)CCOC(C)C ZINC000157771571 197214655 /nfs/dbraw/zinc/21/46/55/197214655.db2.gz CYVYITHVTSVHBH-SJORKVTESA-N 2 0 300.487 2.263 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121782820 195345481 /nfs/dbraw/zinc/34/54/81/195345481.db2.gz XUVTZECXSKZSNX-FHERZECASA-N 2 0 312.502 2.136 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000177868099 132530694 /nfs/dbraw/zinc/53/06/94/132530694.db2.gz LTJAVRHLRQJMPW-QGZVFWFLSA-N 2 0 324.513 2.092 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000357407876 133075806 /nfs/dbraw/zinc/07/58/06/133075806.db2.gz FPKYMJNUWMDRDL-CRAIPNDOSA-N 2 0 315.461 2.495 10 0 DEAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000191486206 145059336 /nfs/dbraw/zinc/05/93/36/145059336.db2.gz HAMBUCLNOZQBOK-KRWDZBQOSA-N 2 0 307.486 2.339 10 0 DEAERP C[C@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)C[C@H]1n1ccnc1 ZINC000247005624 145123047 /nfs/dbraw/zinc/12/30/47/145123047.db2.gz DBYCUDDOCUDOGZ-MAUKXSAKSA-N 2 0 324.428 2.355 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000247479063 145138458 /nfs/dbraw/zinc/13/84/58/145138458.db2.gz VYOOYDLOTCINBQ-YYIAUSFCSA-N 2 0 324.513 2.135 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCOCC2 ZINC000248998778 145175185 /nfs/dbraw/zinc/17/51/85/145175185.db2.gz PVBVGPOHFRUYPJ-SLUKUZTOSA-N 2 0 308.466 2.175 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C2)[nH+]1 ZINC000249884068 145190626 /nfs/dbraw/zinc/19/06/26/145190626.db2.gz OKPHYCQVBYOKCX-HZPDHXFCSA-N 2 0 318.465 2.285 10 0 DEAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554241 145207532 /nfs/dbraw/zinc/20/75/32/145207532.db2.gz UCHCWOOVWMSSQY-SJORKVTESA-N 2 0 315.461 2.155 10 0 DEAERP Cn1c2ccc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cc2sc1=O ZINC000261642310 145213126 /nfs/dbraw/zinc/21/31/26/145213126.db2.gz AIXMIYDXXDOFSQ-ZDUSSCGKSA-N 2 0 305.447 2.174 10 0 DEAERP CCCc1ccc([C@H](C)N(CC(N)=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261797783 145227336 /nfs/dbraw/zinc/22/73/36/145227336.db2.gz GSGJGFRWHNQAGD-RDJZCZTQSA-N 2 0 317.477 2.487 10 0 DEAERP C[C@@H]1CCC[C@@H](NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000261859933 145234835 /nfs/dbraw/zinc/23/48/35/145234835.db2.gz FPPWTLOOLQMPMP-OVEUURCMSA-N 2 0 307.482 2.142 10 0 DEAERP Cn1c2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2sc1=O ZINC000261990521 145251471 /nfs/dbraw/zinc/25/14/71/145251471.db2.gz KFHSWKAHTDGBEJ-UHFFFAOYSA-N 2 0 317.458 2.176 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)sc2C1 ZINC000262014984 145252627 /nfs/dbraw/zinc/25/26/27/145252627.db2.gz MQKOACRZYHOLDJ-OLZOCXBDSA-N 2 0 308.495 2.092 10 0 DEAERP C[C@@]1(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC[NH2+]C1 ZINC000262025301 145254230 /nfs/dbraw/zinc/25/42/30/145254230.db2.gz NMLLOFAUFRDMQV-GOSISDBHSA-N 2 0 301.434 2.337 10 0 DEAERP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)s2)cc1 ZINC000262074417 145259038 /nfs/dbraw/zinc/25/90/38/145259038.db2.gz DAMQOICITRTTOW-GDBMZVCRSA-N 2 0 302.443 2.393 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262335520 145277204 /nfs/dbraw/zinc/27/72/04/145277204.db2.gz SEDPEQXZCUQFGN-CGLCSIQHSA-N 2 0 307.482 2.131 10 0 DEAERP Cc1ccc([C@H](CNC(=O)[C@H](C)C2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000262411464 145281780 /nfs/dbraw/zinc/28/17/80/145281780.db2.gz QPEQOUBTODXBCB-QAPCUYQASA-N 2 0 315.461 2.104 10 0 DEAERP CC(C)c1ccc(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262429687 145283391 /nfs/dbraw/zinc/28/33/91/145283391.db2.gz FSJKYDGTSOCKPH-CVEARBPZSA-N 2 0 301.434 2.290 10 0 DEAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000359386941 147319271 /nfs/dbraw/zinc/31/92/71/147319271.db2.gz DCPWKERZAYJGLG-UHOSZYNNSA-N 2 0 318.461 2.292 10 0 DEAERP CN1CCN(C(=O)CC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000111241648 401702960 /nfs/dbraw/zinc/70/29/60/401702960.db2.gz XOSZCQBPSJHVSX-UHFFFAOYSA-N 2 0 307.482 2.053 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)[C@H](C)C1 ZINC000129091103 401798707 /nfs/dbraw/zinc/79/87/07/401798707.db2.gz CPXMDWUDKAMSFD-NVXWUHKLSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000113579963 401782424 /nfs/dbraw/zinc/78/24/24/401782424.db2.gz UZKXBPCZLNZZRI-HZPDHXFCSA-N 2 0 322.497 2.129 10 0 DEAERP CC1CC[NH+](CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000136194183 401963150 /nfs/dbraw/zinc/96/31/50/401963150.db2.gz NDBLQUXOHIKZER-GOSISDBHSA-N 2 0 317.477 2.007 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000136814519 401974621 /nfs/dbraw/zinc/97/46/21/401974621.db2.gz CYNRSGBFDVKAAT-INIZCTEOSA-N 2 0 324.513 2.377 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000122427947 402077806 /nfs/dbraw/zinc/07/78/06/402077806.db2.gz CJSKBHBCKOTGBL-VXLLPVPCSA-N 2 0 324.513 2.135 10 0 DEAERP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1 ZINC000153097687 402126447 /nfs/dbraw/zinc/12/64/47/402126447.db2.gz AEBZWLKBNQMDJV-GJZGRUSLSA-N 2 0 319.449 2.264 10 0 DEAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154713058 402227542 /nfs/dbraw/zinc/22/75/42/402227542.db2.gz PFWXLACWYIAILP-QGZVFWFLSA-N 2 0 309.498 2.345 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156441936 402283044 /nfs/dbraw/zinc/28/30/44/402283044.db2.gz PUFSYWGMSSNHPG-WMLDXEAASA-N 2 0 301.434 2.057 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000157745720 402298042 /nfs/dbraw/zinc/29/80/42/402298042.db2.gz IOCPUWDVNQIUBC-UHFFFAOYSA-N 2 0 324.513 2.140 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1Br ZINC000234732046 402360761 /nfs/dbraw/zinc/36/07/61/402360761.db2.gz XBFHAFALQBKBLX-GFCCVEGCSA-N 2 0 301.228 2.293 10 0 DEAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COCc2cccs2)CCN1C ZINC000177057809 402364868 /nfs/dbraw/zinc/36/48/68/402364868.db2.gz CFOIXTTZQHGWTI-KFWWJZLASA-N 2 0 312.479 2.040 10 0 DEAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COCc2ccccc2F)CCN1C ZINC000177057774 402365142 /nfs/dbraw/zinc/36/51/42/402365142.db2.gz LBMXIXOWOSJUAK-PVAVHDDUSA-N 2 0 324.440 2.118 10 0 DEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236656260 402371730 /nfs/dbraw/zinc/37/17/30/402371730.db2.gz CNGXBZDAGKWUDJ-WMLDXEAASA-N 2 0 303.450 2.270 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)c1c[nH+]ccc1N)c1ccccc1 ZINC000178004959 402451542 /nfs/dbraw/zinc/45/15/42/402451542.db2.gz AHIZYMRXUVDKQN-KRWDZBQOSA-N 2 0 312.417 2.477 10 0 DEAERP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000186989236 402476373 /nfs/dbraw/zinc/47/63/73/402476373.db2.gz WCOZUOMPVKDENT-QGZVFWFLSA-N 2 0 317.477 2.102 10 0 DEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246032084 402504241 /nfs/dbraw/zinc/50/42/41/402504241.db2.gz MOSNPQKBXYFNMM-HUUCEWRRSA-N 2 0 303.454 2.277 10 0 DEAERP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178978906 402561484 /nfs/dbraw/zinc/56/14/84/402561484.db2.gz KGMVEMVWYDKLHB-MRXNPFEDSA-N 2 0 316.449 2.040 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247404594 402566359 /nfs/dbraw/zinc/56/63/59/402566359.db2.gz IDLKGGOLPMKPMP-HNSVSWJLSA-N 2 0 310.486 2.031 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000246212149 402518489 /nfs/dbraw/zinc/51/84/89/402518489.db2.gz CJSKBHBCKOTGBL-RDHHWEPZSA-N 2 0 324.513 2.135 10 0 DEAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170855490 402533125 /nfs/dbraw/zinc/53/31/25/402533125.db2.gz HVMBEFWYHAZBJH-QZTJIDSGSA-N 2 0 315.461 2.061 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248452617 402591349 /nfs/dbraw/zinc/59/13/49/402591349.db2.gz GMBYEJIPXNDABN-DLBZAZTESA-N 2 0 324.513 2.377 10 0 DEAERP Cn1ccnc1CC1CCN(Cc2ncc(Cl)n2C)CC1 ZINC000171599579 402599609 /nfs/dbraw/zinc/59/96/09/402599609.db2.gz UWCJUPNYWJRFBI-UHFFFAOYSA-N 2 0 307.829 2.262 10 0 DEAERP C[C@@H]1C[C@H](Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[N@@H+]1C ZINC000179743373 402599832 /nfs/dbraw/zinc/59/98/32/402599832.db2.gz ULZVKVHXZCHWBT-HUUCEWRRSA-N 2 0 318.465 2.449 10 0 DEAERP CCC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)C ZINC000181473540 402646559 /nfs/dbraw/zinc/64/65/59/402646559.db2.gz SMJDCUYUQPQCCF-BFYDXBDKSA-N 2 0 309.498 2.486 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000173278369 402690855 /nfs/dbraw/zinc/69/08/55/402690855.db2.gz UTYDXSMHXXUJFT-UKRRQHHQSA-N 2 0 324.513 2.420 10 0 DEAERP c1csc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000262313934 402723869 /nfs/dbraw/zinc/72/38/69/402723869.db2.gz ZHIWIJDXEYUOTD-OAHLLOKOSA-N 3 0 320.506 2.087 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000333586713 403786043 /nfs/dbraw/zinc/78/60/43/403786043.db2.gz OEGKHKLSAZOBBA-DJIMGWMZSA-N 2 0 322.497 2.081 10 0 DEAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000333865257 403890871 /nfs/dbraw/zinc/89/08/71/403890871.db2.gz SVGXCRJCKAGWHW-CAOSSQGBSA-N 2 0 316.511 2.243 10 0 DEAERP C([C@H]1CCOC1)[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000351998709 404066290 /nfs/dbraw/zinc/06/62/90/404066290.db2.gz XVOUXMJZMARCPG-CEXWTWQISA-N 2 0 322.493 2.237 10 0 DEAERP CSCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370189829 404362979 /nfs/dbraw/zinc/36/29/79/404362979.db2.gz BQUAEVJQQMDIDA-UHFFFAOYSA-N 2 0 313.555 2.478 10 0 DEAERP CCC[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)OC ZINC000397595390 405058408 /nfs/dbraw/zinc/05/84/08/405058408.db2.gz PDQRCFGWTGKYKB-GOSISDBHSA-N 2 0 320.477 2.418 10 0 DEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000400788656 405063386 /nfs/dbraw/zinc/06/33/86/405063386.db2.gz RIMICKDSYNKHRL-CJSSEVFESA-N 3 0 313.489 2.485 10 0 DEAERP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000436287249 405067162 /nfs/dbraw/zinc/06/71/62/405067162.db2.gz ISZJYPQYEDTOMW-JONQDZQNSA-N 2 0 310.388 2.398 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000635003146 406395751 /nfs/dbraw/zinc/39/57/51/406395751.db2.gz GPSUJFPVFLFZPV-QRQLOZEOSA-N 3 0 319.493 2.098 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000525300975 406483590 /nfs/dbraw/zinc/48/35/90/406483590.db2.gz SKBIENCFDCAYIC-KRWDZBQOSA-N 2 0 324.513 2.138 10 0 DEAERP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000638079188 406558508 /nfs/dbraw/zinc/55/85/08/406558508.db2.gz CHOYSEPFVYTAPY-ROUUACIJSA-N 2 0 313.445 2.205 10 0 DEAERP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000638079186 406558592 /nfs/dbraw/zinc/55/85/92/406558592.db2.gz CHOYSEPFVYTAPY-MSOLQXFVSA-N 2 0 313.445 2.205 10 0 DEAERP C[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000572256163 406633874 /nfs/dbraw/zinc/63/38/74/406633874.db2.gz CQWNFLYYVDTHNO-NJAFHUGGSA-N 2 0 315.461 2.107 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000129027391 196012959 /nfs/dbraw/zinc/01/29/59/196012959.db2.gz FXNMBCUQKBWVBQ-JKSUJKDBSA-N 2 0 312.502 2.136 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000129850337 196080753 /nfs/dbraw/zinc/08/07/53/196080753.db2.gz NZSHJEYFYRAWAC-HOTGVXAUSA-N 2 0 312.502 2.090 10 0 DEAERP C[C@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000133885264 196343239 /nfs/dbraw/zinc/34/32/39/196343239.db2.gz JLJBCVMDJVCKOF-ROUUACIJSA-N 2 0 303.494 2.338 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390750916 424917571 /nfs/dbraw/zinc/91/75/71/424917571.db2.gz SIIXPVXWJJQBFX-IAGOWNOFSA-N 2 0 303.450 2.141 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000390573401 269097731 /nfs/dbraw/zinc/09/77/31/269097731.db2.gz CQJAKGDIXHRIFL-ZHALLVOQSA-N 2 0 301.478 2.438 10 0 DEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)C2)CC1 ZINC000262280063 276198537 /nfs/dbraw/zinc/19/85/37/276198537.db2.gz KTVSIQUHIISAFL-BZSNNMDCSA-N 2 0 321.509 2.474 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157379931 276374837 /nfs/dbraw/zinc/37/48/37/276374837.db2.gz VOSQCIRWQLUXOM-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106457895 279160063 /nfs/dbraw/zinc/16/00/63/279160063.db2.gz JTDRGUWZRJULNL-WBVHZDCISA-N 2 0 305.466 2.006 10 0 DEAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000262662637 279678442 /nfs/dbraw/zinc/67/84/42/279678442.db2.gz ZMBTXHUWTAIZGF-BRWVUGGUSA-N 2 0 307.482 2.228 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccccc2F)CC1 ZINC000137593961 290085057 /nfs/dbraw/zinc/08/50/57/290085057.db2.gz TWAQJKVSYLAOJE-HNNXBMFYSA-N 2 0 308.441 2.393 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1[C@@H]1CCCCC[NH2+]1 ZINC000162997583 517905682 /nfs/dbraw/zinc/90/56/82/517905682.db2.gz HGVPWJFAXUHHJT-LBPRGKRZSA-N 2 0 315.259 2.412 10 0 DEAERP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000248851629 523987621 /nfs/dbraw/zinc/98/76/21/523987621.db2.gz BIGVVKWXBXGFOX-ZWKOTPCHSA-N 2 0 309.413 2.321 10 0 DEAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000246729197 524449835 /nfs/dbraw/zinc/44/98/35/524449835.db2.gz YDODYVLIXVYLOR-UWWQBHOKSA-N 2 0 315.461 2.067 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000357140444 535448429 /nfs/dbraw/zinc/44/84/29/535448429.db2.gz LMJNGXQAVHZJFU-UHFFFAOYSA-N 2 0 324.513 2.140 10 0 DEAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000262547601 536046791 /nfs/dbraw/zinc/04/67/91/536046791.db2.gz RXIWSEXIGSJXIJ-INIZCTEOSA-N 2 0 303.450 2.143 10 0 DEAERP C[NH2+][C@@H]1CCCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000261931366 536362811 /nfs/dbraw/zinc/36/28/11/536362811.db2.gz CUDIYKPRKOQUGB-CYBMUJFWSA-N 2 0 308.495 2.093 10 0 DEAERP C[C@H](CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262302721 625157116 /nfs/dbraw/zinc/15/71/16/625157116.db2.gz OUHPVESLCCDOHI-QZWWFDLISA-N 2 0 307.482 2.097 10 0 DEAERP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccoc1)C2 ZINC000888098734 635545404 /nfs/dbraw/zinc/54/54/04/635545404.db2.gz LYLSHRRPEYZAMD-FXXCCUJSSA-N 2 0 306.450 2.280 10 0 DEAERP Cc1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(N)[nH+]1 ZINC000382894775 685405607 /nfs/dbraw/zinc/40/56/07/685405607.db2.gz LMSDOXCLKVKYDF-OAHLLOKOSA-N 2 0 311.433 2.298 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000194693573 685075620 /nfs/dbraw/zinc/07/56/20/685075620.db2.gz XIIBCEHXBORKDW-MRXNPFEDSA-N 2 0 312.502 2.282 10 0 DEAERP CC[NH+](CC)CCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724039075 787346873 /nfs/dbraw/zinc/34/68/73/787346873.db2.gz AGGOYWOGAZWBOH-JTQLQIEISA-N 2 0 306.319 2.257 10 0 DEAERP c1cn(-c2ccccc2)nc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000091057550 801485238 /nfs/dbraw/zinc/48/52/38/801485238.db2.gz SWIQRQFBPXLXSF-UHFFFAOYSA-N 2 0 314.433 2.074 10 0 DEAERP CCOC[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717987498 1081856200 /nfs/dbraw/zinc/85/62/00/1081856200.db2.gz YLIGJYUTBUDIME-QGZVFWFLSA-N 2 0 320.477 2.418 10 0 DEAERP C[N@@H+]1CCCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710861832 1086689688 /nfs/dbraw/zinc/68/96/88/1086689688.db2.gz BCIJUDARZIKBML-AWEZNQCLSA-N 2 0 311.470 2.175 10 0 DEAERP CC(C)[C@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000087526074 185227747 /nfs/dbraw/zinc/22/77/47/185227747.db2.gz OHNQCSNGUGXRMX-HNNXBMFYSA-N 2 0 309.479 2.013 10 0 DEAERP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2sccc2Br)O1 ZINC000087575937 185228621 /nfs/dbraw/zinc/22/86/21/185228621.db2.gz SFXAJSVJTQSGCQ-RKDXNWHRSA-N 2 0 305.241 2.107 10 0 DEAERP CC[NH2+][C@H]1COC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000090495468 185299003 /nfs/dbraw/zinc/29/90/03/185299003.db2.gz YFZRVLWQFOVJJH-CABZTGNLSA-N 2 0 319.268 2.225 10 0 DEAERP CC[NH2+][C@@H]1COC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000090495472 185299066 /nfs/dbraw/zinc/29/90/66/185299066.db2.gz YFZRVLWQFOVJJH-BXKDBHETSA-N 2 0 319.268 2.225 10 0 DEAERP COc1cc([C@H](C)[NH2+]CCCN2CCC(O)CC2)ccc1F ZINC000179406559 282224646 /nfs/dbraw/zinc/22/46/46/282224646.db2.gz SVXSJASXQGGCBF-ZDUSSCGKSA-N 2 0 310.413 2.332 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106915832 185463017 /nfs/dbraw/zinc/46/30/17/185463017.db2.gz WAIIIIMADSEUJS-DOTOQJQBSA-N 2 0 305.466 2.006 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423856 282387147 /nfs/dbraw/zinc/38/71/47/282387147.db2.gz JSGKYQRHYGATQI-STQMWFEESA-N 2 0 304.394 2.492 10 0 DEAERP C[NH2+][C@@H](C[C@@H]1C[N@H+](C)CCN1C)c1cc(Cl)ccc1OC ZINC000149594869 186051951 /nfs/dbraw/zinc/05/19/51/186051951.db2.gz YFIUIWAFSIIQHH-HIFRSBDPSA-N 2 0 311.857 2.245 10 0 DEAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)c(Br)c1 ZINC000164055396 186147190 /nfs/dbraw/zinc/14/71/90/186147190.db2.gz RHQLLNGBTBEJPD-AWEZNQCLSA-N 2 0 312.255 2.005 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309693228 539878190 /nfs/dbraw/zinc/87/81/90/539878190.db2.gz CITYAIDGDOODMW-DLBZAZTESA-N 2 0 303.450 2.093 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382701097 540124209 /nfs/dbraw/zinc/12/42/09/540124209.db2.gz MXSBTFYYHIETCR-QGZVFWFLSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000184601707 356194072 /nfs/dbraw/zinc/19/40/72/356194072.db2.gz UTDCQDQXTYAQNQ-GDBMZVCRSA-N 2 0 305.466 2.430 10 0 DEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc(F)cc2)CC1 ZINC000451991916 283283347 /nfs/dbraw/zinc/28/33/47/283283347.db2.gz TYFMMCBGQGTILZ-UHFFFAOYSA-N 2 0 323.456 2.210 10 0 DEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2nccn2c1 ZINC000608313838 361196634 /nfs/dbraw/zinc/19/66/34/361196634.db2.gz OJTFLHIPVAKMFM-CYBMUJFWSA-N 2 0 301.394 2.140 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)s1 ZINC000629569134 367256322 /nfs/dbraw/zinc/25/63/22/367256322.db2.gz OCSOHXUGYAOPSK-UHFFFAOYSA-N 2 0 307.257 2.178 10 0 DEAERP CC[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](CCOC)[C@@H](C)CC ZINC000093617617 193275162 /nfs/dbraw/zinc/27/51/62/193275162.db2.gz INNJXRGTGBLWRC-ULQDDVLXSA-N 2 0 300.487 2.264 10 0 DEAERP [NH3+]C1(CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)CCC1 ZINC000094294559 193356842 /nfs/dbraw/zinc/35/68/42/193356842.db2.gz OOODOENRNWWSEX-UHFFFAOYSA-N 2 0 307.463 2.054 10 0 DEAERP CCC[NH2+][C@H]1[C@@H](C[N@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428445 193368359 /nfs/dbraw/zinc/36/83/59/193368359.db2.gz KDRUVYKKDIOFLY-CABCVRRESA-N 2 0 300.487 2.263 10 0 DEAERP CC[NH2+][C@H]1[C@@H](C[N@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430086 193368686 /nfs/dbraw/zinc/36/86/86/193368686.db2.gz HKAUMPAKDNSOKI-KGLIPLIRSA-N 2 0 300.487 2.261 10 0 DEAERP CC1(C)CSC[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000094489553 193373339 /nfs/dbraw/zinc/37/33/39/193373339.db2.gz MCEYGPWOQSVSMN-RDJZCZTQSA-N 2 0 311.539 2.407 10 0 DEAERP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000104867319 194048828 /nfs/dbraw/zinc/04/88/28/194048828.db2.gz FPRDFZKZIQPRDT-DLBZAZTESA-N 2 0 303.450 2.280 10 0 DEAERP CC[C@@H](c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@@H+]1C)N1CC[NH2+]CC1 ZINC000109472467 194266872 /nfs/dbraw/zinc/26/68/72/194266872.db2.gz OUGDXGSIHQZEDU-FPMFFAJLSA-N 2 0 306.479 2.191 10 0 DEAERP C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC[NH+](C)C ZINC000111129976 194393565 /nfs/dbraw/zinc/39/35/65/194393565.db2.gz SWJYJCLVRISXRB-SMDDNHRTSA-N 2 0 314.271 2.331 10 0 DEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2cccc(Br)c2)C1 ZINC000062964080 184262853 /nfs/dbraw/zinc/26/28/53/184262853.db2.gz RYEWVDBMSMYVKI-KBPBESRZSA-N 2 0 312.255 2.085 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000113591053 194605439 /nfs/dbraw/zinc/60/54/39/194605439.db2.gz KHKNTPSEUBRADF-HZPDHXFCSA-N 2 0 312.502 2.280 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000358173896 133126287 /nfs/dbraw/zinc/12/62/87/133126287.db2.gz WWXAQSPPBKOKPF-UHFFFAOYSA-N 2 0 324.513 2.447 10 0 DEAERP c1cc(OCCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCO2 ZINC000564986294 292125026 /nfs/dbraw/zinc/12/50/26/292125026.db2.gz LLXNTOOYSDTACM-SFHVURJKSA-N 2 0 318.417 2.260 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)[C@@H](C)C1 ZINC000246394846 145101368 /nfs/dbraw/zinc/10/13/68/145101368.db2.gz LDVCUEWDZCICMF-IMJJTQAJSA-N 2 0 301.434 2.432 10 0 DEAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248132202 145148317 /nfs/dbraw/zinc/14/83/17/145148317.db2.gz WSKJKHXLBXQSFU-MJGOQNOKSA-N 2 0 315.461 2.280 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)C(F)(F)F)C2)[nH+]1 ZINC000248554486 145158688 /nfs/dbraw/zinc/15/86/88/145158688.db2.gz HTUYBEXSBLBPAT-NWDGAFQWSA-N 2 0 303.328 2.047 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3CC[C@](C)(C[NH3+])C3)sc2C1 ZINC000261660733 145214527 /nfs/dbraw/zinc/21/45/27/145214527.db2.gz IDWGVEYJOARSJP-MRXNPFEDSA-N 2 0 308.495 2.080 10 0 DEAERP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261661169 145214551 /nfs/dbraw/zinc/21/45/51/145214551.db2.gz GHUKOYQPZOIMIU-HNNXBMFYSA-N 2 0 311.429 2.264 10 0 DEAERP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000261713321 145218903 /nfs/dbraw/zinc/21/89/03/145218903.db2.gz LFUMJOFZEYRLGW-CQSZACIVSA-N 2 0 321.440 2.324 10 0 DEAERP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000261876291 145237003 /nfs/dbraw/zinc/23/70/03/145237003.db2.gz SGDWMWWLLYGFKD-QGZVFWFLSA-N 2 0 315.461 2.288 10 0 DEAERP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922039 145241477 /nfs/dbraw/zinc/24/14/77/145241477.db2.gz IAFGLHVIGCCCRS-ZIAGYGMSSA-N 2 0 307.413 2.064 10 0 DEAERP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261976835 145248368 /nfs/dbraw/zinc/24/83/68/145248368.db2.gz RDKWGWAFFCUJEZ-WJFTUGDTSA-N 3 0 323.525 2.244 10 0 DEAERP Cc1ccc([C@H]([NH3+])C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000262531255 145290278 /nfs/dbraw/zinc/29/02/78/145290278.db2.gz POPMSSBSXIHTJN-KRWDZBQOSA-N 2 0 301.434 2.082 10 0 DEAERP CCn1c2ccccc2c2cc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263222086 145338174 /nfs/dbraw/zinc/33/81/74/145338174.db2.gz LZZKCRXEXSQZSZ-MGPUTAFESA-N 2 0 323.440 2.484 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115415291 401827051 /nfs/dbraw/zinc/82/70/51/401827051.db2.gz HHOVHTAAWPBKFR-KRWDZBQOSA-N 2 0 321.440 2.378 10 0 DEAERP CC(C)N(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000047969508 401991195 /nfs/dbraw/zinc/99/11/95/401991195.db2.gz WJQQEWMGHKVRHT-UHFFFAOYSA-N 2 0 309.498 2.440 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000098030403 402134742 /nfs/dbraw/zinc/13/47/42/402134742.db2.gz DYZAAJFZCSHGSS-ARFHVFGLSA-N 2 0 312.502 2.136 10 0 DEAERP Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)sc1C ZINC000176359635 402302823 /nfs/dbraw/zinc/30/28/23/402302823.db2.gz BREKNDXJEIJDGG-LBPRGKRZSA-N 2 0 311.495 2.285 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000177012680 402359360 /nfs/dbraw/zinc/35/93/60/402359360.db2.gz YYQDKNDOGYZFHE-KRWDZBQOSA-N 2 0 303.450 2.305 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177035758 402362366 /nfs/dbraw/zinc/36/23/66/402362366.db2.gz KVDXTYGRDXRPQL-RBUKOAKNSA-N 2 0 320.477 2.228 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000177420632 402400321 /nfs/dbraw/zinc/40/03/21/402400321.db2.gz IXCFWKZIHIDFOS-MRXNPFEDSA-N 2 0 324.513 2.375 10 0 DEAERP CC[C@@](C)(O)C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000162178436 402412141 /nfs/dbraw/zinc/41/21/41/402412141.db2.gz YBPNVHMBVNVVMC-QGZVFWFLSA-N 2 0 300.487 2.218 10 0 DEAERP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245681303 402478538 /nfs/dbraw/zinc/47/85/38/402478538.db2.gz VGZVNMNPEHEAOQ-SJORKVTESA-N 2 0 318.465 2.071 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C)c2)[C@@H](C)C1 ZINC000246825037 402546342 /nfs/dbraw/zinc/54/63/42/402546342.db2.gz NXEJOYADSBKPSV-SCTDSRPQSA-N 2 0 320.477 2.397 10 0 DEAERP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000246856422 402547422 /nfs/dbraw/zinc/54/74/22/402547422.db2.gz BSKJYOFOTSVNAH-WMHQRMGPSA-N 2 0 304.434 2.317 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000246212161 402518362 /nfs/dbraw/zinc/51/83/62/402518362.db2.gz CJSKBHBCKOTGBL-ZGRYLRDCSA-N 2 0 324.513 2.135 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000246433365 402531546 /nfs/dbraw/zinc/53/15/46/402531546.db2.gz MWJPRTXGYJNVPA-RDJZCZTQSA-N 2 0 324.513 2.231 10 0 DEAERP Cc1cccc(N2CCC(Nc3ncnc4c3cnn4C)CC2)n1 ZINC000172329594 402650150 /nfs/dbraw/zinc/65/01/50/402650150.db2.gz IEBLBVARCFWRKU-UHFFFAOYSA-N 2 0 323.404 2.148 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000192596452 402739315 /nfs/dbraw/zinc/73/93/15/402739315.db2.gz UCJWMZFANCMDGM-PBHICJAKSA-N 2 0 307.482 2.050 10 0 DEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263304278 402756285 /nfs/dbraw/zinc/75/62/85/402756285.db2.gz XOWDTJPYYSUREB-STQMWFEESA-N 2 0 317.424 2.000 10 0 DEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000183370360 402760700 /nfs/dbraw/zinc/76/07/00/402760700.db2.gz DIVKVFOJFPKHOK-QGZVFWFLSA-N 2 0 318.465 2.388 10 0 DEAERP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734738 402813521 /nfs/dbraw/zinc/81/35/21/402813521.db2.gz FCGBRBMTKOBOGR-OAHLLOKOSA-N 2 0 309.498 2.488 10 0 DEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000328646206 404121441 /nfs/dbraw/zinc/12/14/41/404121441.db2.gz SNGDKAOIGPQJKI-INIZCTEOSA-N 2 0 315.417 2.121 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000635005344 406397749 /nfs/dbraw/zinc/39/77/49/406397749.db2.gz UQLOOKUJQUIVMV-QRQLOZEOSA-N 2 0 301.478 2.486 10 0 DEAERP [NH3+]C1CC[NH+]([C@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000130647573 196098874 /nfs/dbraw/zinc/09/88/74/196098874.db2.gz NGIPVXRYSSXEDV-AWEZNQCLSA-N 2 0 311.832 2.477 10 0 DEAERP C[C@@H](CNC(=O)C1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000390778660 424917654 /nfs/dbraw/zinc/91/76/54/424917654.db2.gz PGJSPOGGDJQLAK-OOHWJJMZSA-N 2 0 303.450 2.141 10 0 DEAERP [NH3+]C1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000390715385 424917888 /nfs/dbraw/zinc/91/78/88/424917888.db2.gz KKHHZHKKDVOIHB-AOCRQIFASA-N 2 0 315.461 2.142 10 0 DEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(I)cc1 ZINC000575440180 424946754 /nfs/dbraw/zinc/94/67/54/424946754.db2.gz MRFDIRJQGHNVRP-NSHDSACASA-N 2 0 304.175 2.420 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085401170 267387494 /nfs/dbraw/zinc/38/74/94/267387494.db2.gz PNBCAHWLBVIXRB-DOTOQJQBSA-N 2 0 324.513 2.090 10 0 DEAERP C(C[NH+]1CCC[C@@]2(CCOC2)C1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451910381 269141304 /nfs/dbraw/zinc/14/13/04/269141304.db2.gz NEIFBNGFIZBWDS-RTBURBONSA-N 2 0 322.493 2.382 10 0 DEAERP C(C[NH+]1CCC[C@@]2(CCOC2)C1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451910379 269141391 /nfs/dbraw/zinc/14/13/91/269141391.db2.gz NEIFBNGFIZBWDS-KDURUIRLSA-N 2 0 322.493 2.382 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182376084 279123906 /nfs/dbraw/zinc/12/39/06/279123906.db2.gz AVANSJHXFFACOW-ZACQAIPSSA-N 2 0 324.513 2.088 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000077793508 279158308 /nfs/dbraw/zinc/15/83/08/279158308.db2.gz FSLOFASWHBOEAE-ARFHVFGLSA-N 2 0 312.502 2.136 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C2)[nH+]1 ZINC000189367296 281247006 /nfs/dbraw/zinc/24/70/06/281247006.db2.gz MKTBBXLYOJNYQH-CHWSQXEVSA-N 2 0 317.355 2.437 10 0 DEAERP C[C@@]1(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC[NH2+]C1 ZINC000261919983 289163923 /nfs/dbraw/zinc/16/39/23/289163923.db2.gz BLSSZZDOWHXWGN-QFBILLFUSA-N 2 0 315.461 2.128 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111884278 521601079 /nfs/dbraw/zinc/60/10/79/521601079.db2.gz ZLTNIQVQIRQYJB-KRWDZBQOSA-N 2 0 322.497 2.131 10 0 DEAERP C[C@@H](CC[NH2+]C1CCN(C(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000156199608 524498833 /nfs/dbraw/zinc/49/88/33/524498833.db2.gz IUMJHNHGSFJASG-HNNXBMFYSA-N 2 0 318.465 2.030 10 0 DEAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357910580 535231549 /nfs/dbraw/zinc/23/15/49/535231549.db2.gz VMWMUIHURDYUGH-MRXNPFEDSA-N 2 0 310.486 2.058 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247073165 536168106 /nfs/dbraw/zinc/16/81/06/536168106.db2.gz YQZCKBMIWITZEO-ROUUACIJSA-N 2 0 315.461 2.447 10 0 DEAERP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc[nH]c3)C2)ccn1 ZINC000886059629 691994984 /nfs/dbraw/zinc/99/49/84/691994984.db2.gz ICLSHBWSJSRDAZ-QGZVFWFLSA-N 2 0 300.406 2.125 10 0 DEAERP CNC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734585 793005458 /nfs/dbraw/zinc/00/54/58/793005458.db2.gz WEPXOBXBVZCEEM-SPUZQDLCSA-N 2 0 315.461 2.154 10 0 DEAERP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300057507 799434808 /nfs/dbraw/zinc/43/48/08/799434808.db2.gz QAHPQGHZOQOQGZ-LSDHHAIUSA-N 2 0 311.470 2.317 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000701867901 1086388460 /nfs/dbraw/zinc/38/84/60/1086388460.db2.gz ODCNLYPQHIGWIK-XYSPPFBYSA-N 2 0 323.481 2.458 10 0 DEAERP CC[NH2+]CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709632925 1086683906 /nfs/dbraw/zinc/68/39/06/1086683906.db2.gz HODLXVPDFGFEQP-KRWDZBQOSA-N 2 0 303.450 2.157 10 0 DEAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711426595 1087101106 /nfs/dbraw/zinc/10/11/06/1087101106.db2.gz UHQASGMQSFOXRC-KFWWJZLASA-N 2 0 311.470 2.221 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000079292530 185163782 /nfs/dbraw/zinc/16/37/82/185163782.db2.gz ZLSZJXZXVPIPAU-JKSUJKDBSA-N 2 0 312.502 2.136 10 0 DEAERP CC[C@H](CC[NH3+])CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000079214172 185161537 /nfs/dbraw/zinc/16/15/37/185161537.db2.gz MVJYQHVUFVYJED-AWEZNQCLSA-N 2 0 312.479 2.335 10 0 DEAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCC(F)(F)F)C(N)=O ZINC000088434914 185250029 /nfs/dbraw/zinc/25/00/29/185250029.db2.gz JIIHAYCQGZXEDK-ZDUSSCGKSA-N 2 0 311.392 2.285 10 0 DEAERP C[NH+](C)CCN[C@@H](C[NH3+])c1cc(Cl)ccc1Br ZINC000090251829 185288245 /nfs/dbraw/zinc/28/82/45/185288245.db2.gz LYIHSEIMSCSHJK-LBPRGKRZSA-N 2 0 320.662 2.254 10 0 DEAERP CC[NH2+][C@@H]1COC[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000090495441 185299061 /nfs/dbraw/zinc/29/90/61/185299061.db2.gz UFGFISXXHRVWBB-GXSJLCMTSA-N 2 0 319.268 2.225 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000245434114 282387707 /nfs/dbraw/zinc/38/77/07/282387707.db2.gz PPMOHVWKRWYWGU-IRXDYDNUSA-N 2 0 307.482 2.192 10 0 DEAERP C[NH+](C)CCCN1Cc2c(cccc2C(F)(F)F)[C@H]1C[NH3+] ZINC000071684158 191007935 /nfs/dbraw/zinc/00/79/35/191007935.db2.gz KRTUYPCKJRZJDY-CQSZACIVSA-N 2 0 301.356 2.473 10 0 DEAERP C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@H]1C[N@H+](C)CCN1C ZINC000149591131 186051744 /nfs/dbraw/zinc/05/17/44/186051744.db2.gz MWSFJHPSLYDMAG-STQMWFEESA-N 2 0 313.848 2.246 10 0 DEAERP COc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000173345829 186178840 /nfs/dbraw/zinc/17/88/40/186178840.db2.gz UGCBUXUDWCQYJT-GDBMZVCRSA-N 2 0 322.449 2.201 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309684985 539878539 /nfs/dbraw/zinc/87/85/39/539878539.db2.gz BJLSUBUAPPPMGB-KBAYOESNSA-N 2 0 317.477 2.387 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000077714541 191760555 /nfs/dbraw/zinc/76/05/55/191760555.db2.gz FHNWCSNNSXUKHX-INIZCTEOSA-N 2 0 312.502 2.138 10 0 DEAERP OC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000169782451 355982662 /nfs/dbraw/zinc/98/26/62/355982662.db2.gz PXEHMTPIWKOYIQ-KRWDZBQOSA-N 2 0 315.461 2.140 10 0 DEAERP Brc1cnccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000629532248 367238378 /nfs/dbraw/zinc/23/83/78/367238378.db2.gz SIJWNXNFLWEVQE-UHFFFAOYSA-N 2 0 310.239 2.420 10 0 DEAERP C[C@H]1C[N@H+](CCOc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631837488 368415427 /nfs/dbraw/zinc/41/54/27/368415427.db2.gz BVRKVULLWIZVGA-RYUDHWBXSA-N 2 0 313.239 2.355 10 0 DEAERP COc1c(C)cnc(CN(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000262329980 203263971 /nfs/dbraw/zinc/26/39/71/203263971.db2.gz DSYCMBRXGYJAKW-JSGCOSHPSA-N 2 0 305.422 2.054 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@H]([N@H+](CCOC)[C@@H](C)CC)C1 ZINC000093783249 193307571 /nfs/dbraw/zinc/30/75/71/193307571.db2.gz NUMVCWHNHSDDDU-YESZJQIVSA-N 2 0 300.487 2.407 10 0 DEAERP CCC(CC)[N@H+](CCOC)[C@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093857100 193319458 /nfs/dbraw/zinc/31/94/58/193319458.db2.gz FYKYRVWLFFKQFA-DLBZAZTESA-N 2 0 300.487 2.405 10 0 DEAERP CN(C[C@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334362 193360237 /nfs/dbraw/zinc/36/02/37/193360237.db2.gz ZVOLNFDFMVJNNW-LLVKDONJSA-N 2 0 302.344 2.090 10 0 DEAERP C[NH2+][C@H]1CCCc2nc(N3CC[N@@H+]4CCCC[C@@H]4C3)sc21 ZINC000094444106 193369428 /nfs/dbraw/zinc/36/94/28/193369428.db2.gz NFNDNPGDWPLXLB-OLZOCXBDSA-N 2 0 306.479 2.414 10 0 DEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[NH2+]CCc1ccsc1 ZINC000094443919 193370224 /nfs/dbraw/zinc/37/02/24/193370224.db2.gz KLPMHJHKRYLICU-DOTOQJQBSA-N 2 0 307.507 2.439 10 0 DEAERP CC1(C)CSC[C@@](C[NH3+])(N2CC[NH+](C3CCCC3)CC2)C1 ZINC000094489495 193373418 /nfs/dbraw/zinc/37/34/18/193373418.db2.gz DXWVMAKBHYDFPJ-QGZVFWFLSA-N 2 0 311.539 2.407 10 0 DEAERP CNC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453383347 245103394 /nfs/dbraw/zinc/10/33/94/245103394.db2.gz SMFNWWREVXMGTH-NRSFXHEJSA-N 2 0 315.461 2.296 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219030 284376279 /nfs/dbraw/zinc/37/62/79/284376279.db2.gz YPIWWLNTERGWRT-KBAYOESNSA-N 2 0 313.445 2.117 10 0 DEAERP C[NH2+][C@H](C)CC[NH2+]CCCCCCC[NH2+]CC[C@H](C)[NH2+]C ZINC000018141045 182094790 /nfs/dbraw/zinc/09/47/90/182094790.db2.gz LXAPBJWJUXHJMY-CALCHBBNSA-N 4 0 300.535 2.112 10 0 DEAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000043477304 183365842 /nfs/dbraw/zinc/36/58/42/183365842.db2.gz OWNGYPWIHQDLEP-UHFFFAOYSA-N 2 0 311.857 2.161 10 0 DEAERP Cc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)sc1C[NH2+]C1CC1 ZINC000110275636 194318825 /nfs/dbraw/zinc/31/88/25/194318825.db2.gz DNVYNFKCRQPIIH-CQSZACIVSA-N 2 0 306.479 2.378 10 0 DEAERP CC[NH2+]Cc1c(N2CCC[C@@H]2C[NH+](C)C)nc2sccn12 ZINC000061645980 184181343 /nfs/dbraw/zinc/18/13/43/184181343.db2.gz ZJOBELZHQLHUHD-GFCCVEGCSA-N 2 0 307.467 2.036 10 0 DEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000062964026 184263138 /nfs/dbraw/zinc/26/31/38/184263138.db2.gz RMGGHAGXSUZBHP-FZMZJTMJSA-N 2 0 312.255 2.085 10 0 DEAERP NNc1ccc(Cl)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)[nH+]1 ZINC000062969630 184263840 /nfs/dbraw/zinc/26/38/40/184263840.db2.gz AVNWUCXKLZGWNK-GFCCVEGCSA-N 2 0 309.845 2.081 10 0 DEAERP CC(C)[NH+]1CCN([C@]2(C[NH3+])CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069383432 184511444 /nfs/dbraw/zinc/51/14/44/184511444.db2.gz NFINPEDLWCNJJH-ZIAGYGMSSA-N 2 0 307.404 2.462 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000156442478 197113277 /nfs/dbraw/zinc/11/32/77/197113277.db2.gz ARVFPCKMENNHTQ-CVEARBPZSA-N 2 0 324.513 2.279 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000245425490 285235296 /nfs/dbraw/zinc/23/52/96/285235296.db2.gz TVRLHDLJOQNBAF-YESZJQIVSA-N 2 0 324.513 2.233 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245665498 285256805 /nfs/dbraw/zinc/25/68/05/285256805.db2.gz DTGIJHDXPMPGTF-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121176062 195303497 /nfs/dbraw/zinc/30/34/97/195303497.db2.gz JZVIEWATNJGQKA-ARFHVFGLSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@@H]1CN(Cc2csc(C[NH2+]C(C)(C)C)n2)C[C@@H]1[NH+](C)C ZINC000125411227 195746413 /nfs/dbraw/zinc/74/64/13/195746413.db2.gz PMNBQPMSPDZCRC-OCCSQVGLSA-N 2 0 310.511 2.413 10 0 DEAERP C[NH2+][C@@H](C)c1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC000128037812 195930801 /nfs/dbraw/zinc/93/08/01/195930801.db2.gz NHGDACBXHSACPG-NSHDSACASA-N 2 0 312.255 2.481 10 0 DEAERP C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000188067267 533357433 /nfs/dbraw/zinc/35/74/33/533357433.db2.gz KDFGBQODABOZRT-OAHLLOKOSA-N 2 0 306.450 2.440 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000358174194 133126292 /nfs/dbraw/zinc/12/62/92/133126292.db2.gz XWPQRHNRXXRMFE-UHFFFAOYSA-N 2 0 322.497 2.058 10 0 DEAERP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000358180875 133126426 /nfs/dbraw/zinc/12/64/26/133126426.db2.gz BLTVOOHBIVMSLK-KRWDZBQOSA-N 2 0 322.497 2.058 10 0 DEAERP CC1=CC[NH+](CCNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358192170 133127366 /nfs/dbraw/zinc/12/73/66/133127366.db2.gz PBOVBVVHYKYFBL-IRXDYDNUSA-N 2 0 322.497 2.058 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000360416879 133180782 /nfs/dbraw/zinc/18/07/82/133180782.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 2 0 311.514 2.055 10 0 DEAERP COc1ccccc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000192952955 145080725 /nfs/dbraw/zinc/08/07/25/145080725.db2.gz VVVZEBSYVCTPCK-MGNMYUMUSA-N 2 0 315.461 2.489 10 0 DEAERP C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246303345 145098267 /nfs/dbraw/zinc/09/82/67/145098267.db2.gz WVTHAMUXIRQZSP-BZUAXINKSA-N 2 0 307.482 2.335 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247255371 145130618 /nfs/dbraw/zinc/13/06/18/145130618.db2.gz NSNRCUDLSHITHR-SJORKVTESA-N 2 0 324.513 2.377 10 0 DEAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248654631 145163352 /nfs/dbraw/zinc/16/33/52/145163352.db2.gz PPNNXKQBQLRZQZ-JQHSSLGASA-N 2 0 310.482 2.113 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083587 145178383 /nfs/dbraw/zinc/17/83/83/145178383.db2.gz MXRNHWMGTMXNID-ZFWWWQNUSA-N 2 0 307.438 2.261 10 0 DEAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549154 145207215 /nfs/dbraw/zinc/20/72/15/145207215.db2.gz OGTAHBCRDAIHPY-KURKYZTESA-N 2 0 315.461 2.237 10 0 DEAERP Cn1c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2sc1=O ZINC000261642453 145212963 /nfs/dbraw/zinc/21/29/63/145212963.db2.gz AKSLMIVUHWDFQP-BFHYXJOUSA-N 2 0 317.458 2.159 10 0 DEAERP CC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000261931486 145243384 /nfs/dbraw/zinc/24/33/84/145243384.db2.gz CVYDHAYLXXINDD-GOSISDBHSA-N 2 0 316.493 2.012 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3C[C@H](C)[NH2+]C[C@H]3C)sc2C1 ZINC000262014985 145252865 /nfs/dbraw/zinc/25/28/65/145252865.db2.gz MQKOACRZYHOLDJ-QWHCGFSZSA-N 2 0 308.495 2.092 10 0 DEAERP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000262071676 145259180 /nfs/dbraw/zinc/25/91/80/145259180.db2.gz GCIHINIQRYRSCX-ZDUSSCGKSA-N 2 0 323.506 2.333 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262325567 145276791 /nfs/dbraw/zinc/27/67/91/145276791.db2.gz DIMYIHWJMOWNCU-NCOADZHNSA-N 2 0 309.498 2.249 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262659759 145298300 /nfs/dbraw/zinc/29/83/00/145298300.db2.gz NJOFPEYJJPQTRR-QGZVFWFLSA-N 2 0 303.450 2.233 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654662 145396465 /nfs/dbraw/zinc/39/64/65/145396465.db2.gz DUICVCHSRKFSOT-WDSOQIARSA-N 3 0 319.493 2.241 10 0 DEAERP C[NH+](C)Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000075163157 401753416 /nfs/dbraw/zinc/75/34/16/401753416.db2.gz RCOUPXJYSGTHHS-AYHJJNSGSA-N 2 0 315.461 2.493 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000080582906 401890699 /nfs/dbraw/zinc/89/06/99/401890699.db2.gz CAZZIPDXUOKWHN-INIZCTEOSA-N 2 0 324.513 2.282 10 0 DEAERP CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000135516298 401943226 /nfs/dbraw/zinc/94/32/26/401943226.db2.gz HXFJGDITFWWHQD-QAPCUYQASA-N 2 0 317.477 2.280 10 0 DEAERP CC1(C)CC(NC(=O)N2CCC[N@@H+](C3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000061794161 402108798 /nfs/dbraw/zinc/10/87/98/402108798.db2.gz XZVNBRNYLLIDPQ-UHFFFAOYSA-N 2 0 322.497 2.175 10 0 DEAERP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000124060107 402161777 /nfs/dbraw/zinc/16/17/77/402161777.db2.gz JHTATZGNUKBJHK-UHFFFAOYSA-N 2 0 318.465 2.161 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000176278139 402296277 /nfs/dbraw/zinc/29/62/77/402296277.db2.gz ZHGWEIBGFARXDE-SJORKVTESA-N 2 0 324.513 2.233 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)s1 ZINC000234793821 402360888 /nfs/dbraw/zinc/36/08/88/402360888.db2.gz BFCMCBDQYVGGJG-VIFPVBQESA-N 2 0 307.257 2.354 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000177386579 402396770 /nfs/dbraw/zinc/39/67/70/402396770.db2.gz ZTHAXZLTABCUCA-QGZVFWFLSA-N 2 0 324.513 2.233 10 0 DEAERP CCC[C@@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)[NH+](C)C ZINC000161727735 402397207 /nfs/dbraw/zinc/39/72/07/402397207.db2.gz JCEYSLQSVVRHDF-KRWDZBQOSA-N 2 0 305.466 2.485 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000177314536 402390510 /nfs/dbraw/zinc/39/05/10/402390510.db2.gz XEXSCALNSPEGAB-INIZCTEOSA-N 2 0 324.513 2.377 10 0 DEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000245764995 402486644 /nfs/dbraw/zinc/48/66/44/402486644.db2.gz QLUXXUBMRHXYLX-MOPGFXCFSA-N 2 0 321.509 2.070 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCCC2 ZINC000245897865 402495475 /nfs/dbraw/zinc/49/54/75/402495475.db2.gz NLKWDPWJJSCQRT-BRWVUGGUSA-N 2 0 310.482 2.161 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000171063282 402553661 /nfs/dbraw/zinc/55/36/61/402553661.db2.gz VBHYBTWFCYJZCE-HNNXBMFYSA-N 2 0 312.502 2.138 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000246199111 402517848 /nfs/dbraw/zinc/51/78/48/402517848.db2.gz MWZOKDYKCCHBGS-BBWFWOEESA-N 2 0 324.513 2.231 10 0 DEAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170855498 402533229 /nfs/dbraw/zinc/53/32/29/402533229.db2.gz HVMBEFWYHAZBJH-ROUUACIJSA-N 2 0 315.461 2.061 10 0 DEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000171605919 402600693 /nfs/dbraw/zinc/60/06/93/402600693.db2.gz IJECBIXUIAFOGD-GOSISDBHSA-N 2 0 317.477 2.152 10 0 DEAERP CCCn1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000172044005 402638242 /nfs/dbraw/zinc/63/82/42/402638242.db2.gz AMBBUYSHZCPNJY-HOTGVXAUSA-N 2 0 308.470 2.272 10 0 DEAERP O=C1O[C@H](C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC12CCC2 ZINC000192034362 402706666 /nfs/dbraw/zinc/70/66/66/402706666.db2.gz XMHGRHPHDHQXIV-GJZGRUSLSA-N 2 0 315.417 2.301 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000174387522 402739095 /nfs/dbraw/zinc/73/90/95/402739095.db2.gz MCXGQCXQFZQYGV-ZACQAIPSSA-N 2 0 324.513 2.231 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000194131292 402785126 /nfs/dbraw/zinc/78/51/26/402785126.db2.gz GZUJWMUNEXKORO-OAHLLOKOSA-N 2 0 310.486 2.034 10 0 DEAERP CC(C)[NH2+]CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377315935 404836463 /nfs/dbraw/zinc/83/64/63/404836463.db2.gz KIUILZBKKDLAHM-RBUKOAKNSA-N 2 0 301.478 2.438 10 0 DEAERP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000638852138 405715065 /nfs/dbraw/zinc/71/50/65/405715065.db2.gz VDKUMFMEIHMWIZ-ZWKOTPCHSA-N 2 0 315.461 2.157 10 0 DEAERP O=C1CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347664 405848035 /nfs/dbraw/zinc/84/80/35/405848035.db2.gz IPTLPQXRFPRNSO-ROUUACIJSA-N 2 0 321.509 2.491 10 0 DEAERP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)CCCO2 ZINC000162528907 292367599 /nfs/dbraw/zinc/36/75/99/292367599.db2.gz JXCLISRYDHNAKA-GOSISDBHSA-N 2 0 317.477 2.436 10 0 DEAERP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638074375 406556020 /nfs/dbraw/zinc/55/60/20/406556020.db2.gz MDCKXTXSQAHGOB-ROUUACIJSA-N 2 0 313.445 2.157 10 0 DEAERP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000129159029 196024841 /nfs/dbraw/zinc/02/48/41/196024841.db2.gz RQSOHDUBBUIMMF-QWHCGFSZSA-N 2 0 311.223 2.353 10 0 DEAERP Cn1ccnc1CN(C(=O)CC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262025188 225263953 /nfs/dbraw/zinc/26/39/53/225263953.db2.gz NLGXLCQXFWKHNI-OAHLLOKOSA-N 2 0 316.449 2.081 10 0 DEAERP c1c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)nc2ncccn12 ZINC000297583918 227332725 /nfs/dbraw/zinc/33/27/25/227332725.db2.gz IQYBXUAWLCALNV-UHFFFAOYSA-N 2 0 322.416 2.131 10 0 DEAERP [NH3+]C1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000390715389 424917649 /nfs/dbraw/zinc/91/76/49/424917649.db2.gz KKHHZHKKDVOIHB-WWDZGPRUSA-N 2 0 315.461 2.142 10 0 DEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333489061 268955269 /nfs/dbraw/zinc/95/52/69/268955269.db2.gz CFOLLGBZZUWSEU-WMLDXEAASA-N 2 0 322.497 2.081 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000390573398 269097089 /nfs/dbraw/zinc/09/70/89/269097089.db2.gz CQJAKGDIXHRIFL-AOIWGVFYSA-N 2 0 301.478 2.438 10 0 DEAERP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499192833 269303651 /nfs/dbraw/zinc/30/36/51/269303651.db2.gz QNHKSXXYTYAHFG-DZUCGIPZSA-N 2 0 301.434 2.036 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919024 279263342 /nfs/dbraw/zinc/26/33/42/279263342.db2.gz UJNSPZGHJAQEFE-QGZVFWFLSA-N 2 0 307.482 2.195 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000113599446 288301422 /nfs/dbraw/zinc/30/14/22/288301422.db2.gz BRTIDGKNTZSVPK-GDBMZVCRSA-N 2 0 322.497 2.127 10 0 DEAERP CCCCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000157958252 520079050 /nfs/dbraw/zinc/07/90/50/520079050.db2.gz MKOHKXPUHADIPL-SFHVURJKSA-N 2 0 311.514 2.294 10 0 DEAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H](C)[NH3+] ZINC000248873765 521270556 /nfs/dbraw/zinc/27/05/56/521270556.db2.gz PQZYILIFCZXFOY-WMZOPIPTSA-N 2 0 317.477 2.484 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CCCC(C)(C)C2)CC1 ZINC000447834586 528117543 /nfs/dbraw/zinc/11/75/43/528117543.db2.gz LNOLIKGGCGBFMB-UHFFFAOYSA-N 2 0 322.497 2.060 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000187106442 528183191 /nfs/dbraw/zinc/18/31/91/528183191.db2.gz KLRHQGZPPYNKTN-UHFFFAOYSA-N 2 0 324.513 2.234 10 0 DEAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000261773597 535150686 /nfs/dbraw/zinc/15/06/86/535150686.db2.gz WERNZVSKPDWORY-XIRDDKMYSA-N 2 0 307.482 2.238 10 0 DEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357910577 535241364 /nfs/dbraw/zinc/24/13/64/535241364.db2.gz VMWMUIHURDYUGH-INIZCTEOSA-N 2 0 310.486 2.058 10 0 DEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000249105784 536358756 /nfs/dbraw/zinc/35/87/56/536358756.db2.gz QHQVUJSGEBSKFQ-OALUTQOASA-N 2 0 323.525 2.030 10 0 DEAERP O[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000328361849 625759992 /nfs/dbraw/zinc/75/99/92/625759992.db2.gz FMPXBMXRYPZQCI-WJFTUGDTSA-N 2 0 300.446 2.354 10 0 DEAERP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000742196097 637340983 /nfs/dbraw/zinc/34/09/83/637340983.db2.gz LSQFFWUQJZCYCT-HNNXBMFYSA-N 2 0 301.434 2.059 10 0 DEAERP O[C@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000728686934 639284971 /nfs/dbraw/zinc/28/49/71/639284971.db2.gz YKJFOISOJIOPID-OALUTQOASA-N 2 0 323.525 2.031 10 0 DEAERP C[N@H+](CCC(=O)Nc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261837556 685199893 /nfs/dbraw/zinc/19/98/93/685199893.db2.gz CFLDNFJMMMSQFW-PBWFPOADSA-N 2 0 305.397 2.369 10 0 DEAERP Cc1cc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000397915451 790230928 /nfs/dbraw/zinc/23/09/28/790230928.db2.gz GMYHMLXELQMUBR-SFHVURJKSA-N 2 0 311.433 2.086 10 0 DEAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCOCCOCc2ccccc2)C12CCC2 ZINC000405427122 802064511 /nfs/dbraw/zinc/06/45/11/802064511.db2.gz RFRMCSJAEUOLLL-MSOLQXFVSA-N 2 0 318.461 2.469 10 0 DEAERP C[C@@H]1COC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717948658 1081845431 /nfs/dbraw/zinc/84/54/31/1081845431.db2.gz FCJYFCJBTVTGRN-AEFFLSMTSA-N 2 0 318.461 2.028 10 0 DEAERP C[C@@H](CC[NH+](C)C)[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701855595 1086390490 /nfs/dbraw/zinc/39/04/90/1086390490.db2.gz KEBLALBZCHXEAC-CBCUQQMYSA-N 2 0 311.470 2.316 10 0 DEAERP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702051088 1086401453 /nfs/dbraw/zinc/40/14/53/1086401453.db2.gz LXWQDILRVMJPSD-VDZJLULYSA-N 2 0 315.461 2.094 10 0 DEAERP CC(C)c1nsc(N2CCC[N@H+](CCCCC[NH3+])CC2)n1 ZINC000087639616 185229795 /nfs/dbraw/zinc/22/97/95/185229795.db2.gz VRSJIIBVVNWENX-UHFFFAOYSA-N 2 0 311.499 2.303 10 0 DEAERP CN(C[C@H]1CCC[N@@H+]1C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000092624909 185329723 /nfs/dbraw/zinc/32/97/23/185329723.db2.gz SPMXNYNCORDEPG-MNOVXSKESA-N 2 0 316.243 2.068 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416101 282386011 /nfs/dbraw/zinc/38/60/11/282386011.db2.gz DXKSLLPEGUZQFI-YOEHRIQHSA-N 2 0 321.440 2.104 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362905295 535076062 /nfs/dbraw/zinc/07/60/62/535076062.db2.gz RKFQJMVJFRSKSY-KRWDZBQOSA-N 2 0 309.498 2.203 10 0 DEAERP C[NH+](C)CCCCN1Cc2c(cc(F)c(F)c2F)[C@H]1C[NH3+] ZINC000071683682 191006658 /nfs/dbraw/zinc/00/66/58/191006658.db2.gz YVFHXTBVSXWXSJ-CYBMUJFWSA-N 2 0 301.356 2.261 10 0 DEAERP C[NH2+][C@H](Cc1c[nH+]ccc1N)c1ncccc1Br ZINC000140423538 186027135 /nfs/dbraw/zinc/02/71/35/186027135.db2.gz LUBCLANXWWLJIA-GFCCVEGCSA-N 2 0 307.195 2.325 10 0 DEAERP C[C@@H]([NH3+])CCC[C@@H](C)C(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164298259 186155029 /nfs/dbraw/zinc/15/50/29/186155029.db2.gz OQUZUJZMCKEIHH-VXGBXAGGSA-N 2 0 314.861 2.434 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333489050 539961239 /nfs/dbraw/zinc/96/12/39/539961239.db2.gz CFOLLGBZZUWSEU-PBHICJAKSA-N 2 0 322.497 2.081 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000057792719 354580062 /nfs/dbraw/zinc/58/00/62/354580062.db2.gz INJHNAFOHUWBSH-INIZCTEOSA-N 2 0 310.486 2.082 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000181704560 356091666 /nfs/dbraw/zinc/09/16/66/356091666.db2.gz MTRUNKOIIBPDCE-MCIONIFRSA-N 2 0 308.388 2.496 10 0 DEAERP C[NH+](C)CC1CC[NH+](C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797244 192192172 /nfs/dbraw/zinc/19/21/72/192192172.db2.gz UBKHNVBXAQXEQO-INIZCTEOSA-N 2 0 305.491 2.330 10 0 DEAERP CCN(Cc1ccccc1)[C@H](C[NH3+])CNC(=O)OC(C)(C)C ZINC000226184785 356278277 /nfs/dbraw/zinc/27/82/77/356278277.db2.gz BYAKMJGLGHPATI-OAHLLOKOSA-N 2 0 307.438 2.361 10 0 DEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263283824 356344597 /nfs/dbraw/zinc/34/45/97/356344597.db2.gz SZHZDJJEMNNOQC-ZKZVPCBQSA-N 2 0 321.509 2.390 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000175779924 283167259 /nfs/dbraw/zinc/16/72/59/283167259.db2.gz YNSJCOWSPKKGOV-QGZVFWFLSA-N 2 0 324.513 2.378 10 0 DEAERP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000193295466 201023050 /nfs/dbraw/zinc/02/30/50/201023050.db2.gz OHMDXWCCICMEKO-CYBMUJFWSA-N 2 0 307.413 2.034 10 0 DEAERP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000621764337 364539368 /nfs/dbraw/zinc/53/93/68/364539368.db2.gz DDEFVXNFDZILRT-UXLLHSPISA-N 2 0 301.434 2.414 10 0 DEAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093189 240037776 /nfs/dbraw/zinc/03/77/76/240037776.db2.gz WKZQHXKMYYCTHI-GJZGRUSLSA-N 2 0 324.490 2.125 10 0 DEAERP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389020 367188237 /nfs/dbraw/zinc/18/82/37/367188237.db2.gz HZDRPZZQYSAXNW-DLBZAZTESA-N 2 0 318.461 2.468 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1ccc(Cl)cc1Cl ZINC000093374505 193240812 /nfs/dbraw/zinc/24/08/12/193240812.db2.gz OFXLXXWHRWZHMZ-LBPRGKRZSA-N 2 0 301.221 2.226 10 0 DEAERP CC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@H+](CCOC)CC(C)C ZINC000093617317 193275710 /nfs/dbraw/zinc/27/57/10/193275710.db2.gz SWIZLCKRIKPPOR-IAGOWNOFSA-N 2 0 300.487 2.122 10 0 DEAERP CN(CC[NH+]1CCCC1)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334287 193360213 /nfs/dbraw/zinc/36/02/13/193360213.db2.gz LRVOQEPZHNABNX-UHFFFAOYSA-N 2 0 302.344 2.091 10 0 DEAERP CC(C)CN(CC[NH+](C)C)[C@]1(C[NH3+])CSCCC1(C)C ZINC000094484197 193372494 /nfs/dbraw/zinc/37/24/94/193372494.db2.gz ZLULJMDAAOXQNK-MRXNPFEDSA-N 2 0 301.544 2.367 10 0 DEAERP C[C@@H]1SCCC[C@]1(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000094479198 193372900 /nfs/dbraw/zinc/37/29/00/193372900.db2.gz KDWATKSQKWYTSM-DOTOQJQBSA-N 2 0 311.539 2.407 10 0 DEAERP c1cc(CCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000530240118 284383341 /nfs/dbraw/zinc/38/33/41/284383341.db2.gz KUBAQSXWXUJHPI-SFHVURJKSA-N 2 0 303.450 2.105 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000458454331 248315863 /nfs/dbraw/zinc/31/58/63/248315863.db2.gz JZHULWAAQAVCJB-QGZVFWFLSA-N 2 0 324.513 2.233 10 0 DEAERP CCCN(CC[NH+](C)C)c1nc2sccn2c1C[NH2+]CC ZINC000045701791 183525004 /nfs/dbraw/zinc/52/50/04/183525004.db2.gz TVLDOEIVDZDJES-UHFFFAOYSA-N 2 0 309.483 2.283 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105148451 194078998 /nfs/dbraw/zinc/07/89/98/194078998.db2.gz HJIZELSLEVDGPK-OAHLLOKOSA-N 2 0 312.502 2.136 10 0 DEAERP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262405894 296313481 /nfs/dbraw/zinc/31/34/81/296313481.db2.gz RQYGIBSHTVORRV-MLHJIOFPSA-N 2 0 321.509 2.488 10 0 DEAERP CCCc1nc(N2CC[C@H]([NH+]3CCCC3)C2)sc1C[NH2+]C ZINC000110275674 194318631 /nfs/dbraw/zinc/31/86/31/194318631.db2.gz BARRYSIBKORCDA-ZDUSSCGKSA-N 2 0 308.495 2.490 10 0 DEAERP CC(C)C[NH2+]Cc1nc(CN2CCC[C@H]2C[NH+](C)C)cs1 ZINC000061654692 184181192 /nfs/dbraw/zinc/18/11/92/184181192.db2.gz PJJJAKKXZSWGNI-HNNXBMFYSA-N 2 0 310.511 2.415 10 0 DEAERP CC[C@H]([NH3+])[C@@H](N1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000062038032 184203126 /nfs/dbraw/zinc/20/31/26/184203126.db2.gz MGGBHQWMDRFMMQ-UONOGXRCSA-N 2 0 307.404 2.462 10 0 DEAERP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000063746247 184287178 /nfs/dbraw/zinc/28/71/78/184287178.db2.gz IJHXYXASRYAEOH-UHFFFAOYSA-N 2 0 305.466 2.485 10 0 DEAERP C[C@@H]1C[C@@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC[N@@H+]1C ZINC000158928099 197312072 /nfs/dbraw/zinc/31/20/72/197312072.db2.gz IOBNPRMNIZEBBW-ZJUUUORDSA-N 2 0 302.344 2.203 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000158655065 197291490 /nfs/dbraw/zinc/29/14/90/197291490.db2.gz JGDPGWNKTFLUMW-HNNXBMFYSA-N 2 0 312.502 2.280 10 0 DEAERP NC1=[NH+]C[C@]2(CC[N@@H+]3CCC[C@@H]3C2)N1c1ccc(Cl)cc1 ZINC000157255139 197174138 /nfs/dbraw/zinc/17/41/38/197174138.db2.gz FQQPMHBWFOETEL-GDBMZVCRSA-N 2 0 304.825 2.472 10 0 DEAERP CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c(C)c2C(N)=S)C1 ZINC000156677020 197133275 /nfs/dbraw/zinc/13/32/75/197133275.db2.gz ZKHFWCUKTATXRI-CYBMUJFWSA-N 2 0 306.479 2.253 10 0 DEAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC000247961520 257112812 /nfs/dbraw/zinc/11/28/12/257112812.db2.gz FJCKEDGBPJKYGA-RCCFBDPRSA-N 2 0 322.424 2.136 10 0 DEAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2ccc(F)cc2)[C@@H]2CCCO[C@@H]12 ZINC000503716207 257209258 /nfs/dbraw/zinc/20/92/58/257209258.db2.gz FJCKEDGBPJKYGA-KZNAEPCWSA-N 2 0 322.424 2.136 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131364 /nfs/dbraw/zinc/13/13/64/133131364.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 2 0 323.525 2.365 10 0 DEAERP C[C@H](CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCCCC1 ZINC000182681353 144920305 /nfs/dbraw/zinc/92/03/05/144920305.db2.gz RDXCYYCSBKBFBL-IXDOHACOSA-N 2 0 322.497 2.129 10 0 DEAERP O=C1C[C@@H](c2ccccc2)N(CCC[NH+]2CCCC2)CCN1 ZINC000193476053 145086415 /nfs/dbraw/zinc/08/64/15/145086415.db2.gz LRHYWYSWDVSART-KRWDZBQOSA-N 2 0 301.434 2.036 10 0 DEAERP Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246683622 145110940 /nfs/dbraw/zinc/11/09/40/145110940.db2.gz JYFPMZPCCGXBHU-YESZJQIVSA-N 2 0 306.450 2.149 10 0 DEAERP C[C@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCCCC1 ZINC000248489744 145156711 /nfs/dbraw/zinc/15/67/11/145156711.db2.gz NDQOWBKCVSXMAH-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000261613050 145210252 /nfs/dbraw/zinc/21/02/52/145210252.db2.gz GCNOAGNWRSMKIS-HHLLWTAFSA-N 2 0 307.482 2.306 10 0 DEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc2c(c1)C[NH2+]C2 ZINC000261661994 145214317 /nfs/dbraw/zinc/21/43/17/145214317.db2.gz FGGIDFAZQAOFEF-UHFFFAOYSA-N 2 0 311.360 2.327 10 0 DEAERP C[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCCCCC1 ZINC000261700692 145218460 /nfs/dbraw/zinc/21/84/60/145218460.db2.gz JMPRWRULZSQJQV-QGZVFWFLSA-N 2 0 317.477 2.281 10 0 DEAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC(C)(C)N ZINC000261758912 145223310 /nfs/dbraw/zinc/22/33/10/145223310.db2.gz CVYFVHHJAUGKAE-GOSISDBHSA-N 2 0 319.493 2.101 10 0 DEAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261773591 145224819 /nfs/dbraw/zinc/22/48/19/145224819.db2.gz WERNZVSKPDWORY-OIISXLGYSA-N 2 0 307.482 2.238 10 0 DEAERP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261910129 145239965 /nfs/dbraw/zinc/23/99/65/145239965.db2.gz XWNOWXSTHPRGTM-SFHVURJKSA-N 2 0 303.450 2.210 10 0 DEAERP CCC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261931327 145243234 /nfs/dbraw/zinc/24/32/34/145243234.db2.gz WGIYRESEYYWZBJ-CVEARBPZSA-N 2 0 309.498 2.393 10 0 DEAERP CCC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261931332 145243448 /nfs/dbraw/zinc/24/34/48/145243448.db2.gz WGIYRESEYYWZBJ-JKSUJKDBSA-N 2 0 309.498 2.393 10 0 DEAERP C[C@]1(CN2CCN(Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000262009251 145253142 /nfs/dbraw/zinc/25/31/42/145253142.db2.gz MECQPBZTBLEKKC-KRWDZBQOSA-N 2 0 307.869 2.457 10 0 DEAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000262116166 145262654 /nfs/dbraw/zinc/26/26/54/145262654.db2.gz LDBJABMDCHJAHA-NHYWBVRUSA-N 2 0 306.406 2.224 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262335515 145277215 /nfs/dbraw/zinc/27/72/15/145277215.db2.gz SEDPEQXZCUQFGN-BKYIEACKSA-N 2 0 307.482 2.131 10 0 DEAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000370763362 148053408 /nfs/dbraw/zinc/05/34/08/148053408.db2.gz JPUHYTYEZTXYNY-IRXDYDNUSA-N 2 0 303.450 2.142 10 0 DEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000112697834 401754843 /nfs/dbraw/zinc/75/48/43/401754843.db2.gz WPHJUIWPDKJROY-KRWDZBQOSA-N 2 0 311.514 2.149 10 0 DEAERP CC(C)[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000075313706 401757802 /nfs/dbraw/zinc/75/78/02/401757802.db2.gz UNLXPJUUKNADFI-ALOPSCKCSA-N 2 0 324.513 2.420 10 0 DEAERP CC(C)[N@H+](C)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694434 401835282 /nfs/dbraw/zinc/83/52/82/401835282.db2.gz XAXLAGVGOLAECD-UHFFFAOYSA-N 2 0 324.444 2.027 10 0 DEAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963858 401912586 /nfs/dbraw/zinc/91/25/86/401912586.db2.gz KVDXTYGRDXRPQL-MOPGFXCFSA-N 2 0 320.477 2.228 10 0 DEAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccs2)[C@H](C)C1 ZINC000089640697 401955324 /nfs/dbraw/zinc/95/53/24/401955324.db2.gz CJLKGSWBWAUASG-ZIAGYGMSSA-N 2 0 309.479 2.188 10 0 DEAERP CC1CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000136194150 401963098 /nfs/dbraw/zinc/96/30/98/401963098.db2.gz NDBLQUXOHIKZER-SFHVURJKSA-N 2 0 317.477 2.007 10 0 DEAERP C(CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C[NH+]1CCCC1 ZINC000152293154 402087554 /nfs/dbraw/zinc/08/75/54/402087554.db2.gz FGASJPKLQBSNFB-HNNXBMFYSA-N 2 0 303.454 2.347 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000101668935 402153851 /nfs/dbraw/zinc/15/38/51/402153851.db2.gz NDCDGKJYQJMSDR-XHSDSOJGSA-N 2 0 309.498 2.486 10 0 DEAERP C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000108894871 402264015 /nfs/dbraw/zinc/26/40/15/402264015.db2.gz WVTHAMUXIRQZSP-OAGGEKHMSA-N 2 0 307.482 2.335 10 0 DEAERP [NH3+]C1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000178726794 402531661 /nfs/dbraw/zinc/53/16/61/402531661.db2.gz QCMCLYIAADAKQN-QGZVFWFLSA-N 2 0 315.461 2.429 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000249767640 402641305 /nfs/dbraw/zinc/64/13/05/402641305.db2.gz QJAIYFFWRNMCSF-IAGOWNOFSA-N 2 0 324.513 2.280 10 0 DEAERP CCN(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1CC[NH3+] ZINC000261547388 402713611 /nfs/dbraw/zinc/71/36/11/402713611.db2.gz MHHPMNQIHMHTGD-QGZVFWFLSA-N 2 0 303.450 2.238 10 0 DEAERP Cn1ccnc1C[N@H+](C[C@H]1CCSC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261948722 402720250 /nfs/dbraw/zinc/72/02/50/402720250.db2.gz NQLXXYDOIZOAFD-HUUCEWRRSA-N 2 0 320.506 2.117 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)C ZINC000174303048 402735640 /nfs/dbraw/zinc/73/56/40/402735640.db2.gz BMUWAMUZFCESFJ-OAHLLOKOSA-N 2 0 312.502 2.090 10 0 DEAERP C[N@H+](Cc1ccccc1CNC(=O)C1C[NH2+]C1)C1CCCCC1 ZINC000263326396 402758883 /nfs/dbraw/zinc/75/88/83/402758883.db2.gz SUJMUTDAQOHYRE-UHFFFAOYSA-N 2 0 315.461 2.287 10 0 DEAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)(C)C ZINC000175014858 402771487 /nfs/dbraw/zinc/77/14/87/402771487.db2.gz CIJUUNDXAOTWPN-JKSUJKDBSA-N 2 0 322.497 2.009 10 0 DEAERP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000175106252 402779670 /nfs/dbraw/zinc/77/96/70/402779670.db2.gz PBHJAFANJMCARD-WMLDXEAASA-N 2 0 303.450 2.303 10 0 DEAERP C[NH+](C)C1CCN(c2ccc(NC3CCC([NH3+])CC3)nc2)CC1 ZINC000333317260 403723051 /nfs/dbraw/zinc/72/30/51/403723051.db2.gz SZXZEFSMAYLEGC-UHFFFAOYSA-N 2 0 317.481 2.294 10 0 DEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333549400 403778214 /nfs/dbraw/zinc/77/82/14/403778214.db2.gz KBUFDSMGEUKCSS-DOTOQJQBSA-N 2 0 322.497 2.225 10 0 DEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000333865259 403890775 /nfs/dbraw/zinc/89/07/75/403890775.db2.gz SVGXCRJCKAGWHW-QKPAOTATSA-N 2 0 316.511 2.243 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000369879605 404260784 /nfs/dbraw/zinc/26/07/84/404260784.db2.gz BOMZDVZBMJAJQS-DLBZAZTESA-N 2 0 322.497 2.034 10 0 DEAERP C[C@@H](CCNC(=O)C[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000379680530 405030057 /nfs/dbraw/zinc/03/00/57/405030057.db2.gz MRSCDZNCJAUBPC-FUHWJXTLSA-N 2 0 317.477 2.403 10 0 DEAERP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000396316689 405056483 /nfs/dbraw/zinc/05/64/83/405056483.db2.gz DTZPQTQHCRXYJA-NJAFHUGGSA-N 2 0 315.461 2.237 10 0 DEAERP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000396337306 405057084 /nfs/dbraw/zinc/05/70/84/405057084.db2.gz VTQSLKMOUNSNCR-AEFFLSMTSA-N 2 0 315.461 2.109 10 0 DEAERP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC000453095479 405283452 /nfs/dbraw/zinc/28/34/52/405283452.db2.gz SNYCYFGJSNSBQL-HNNXBMFYSA-N 2 0 306.450 2.422 10 0 DEAERP C1=CC[C@@H](CC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC000527979429 405467536 /nfs/dbraw/zinc/46/75/36/405467536.db2.gz FSWYARYUPNCQCM-GOSISDBHSA-N 2 0 321.509 2.119 10 0 DEAERP C[C@H](C[NH2+]CCCC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449106901 405518001 /nfs/dbraw/zinc/51/80/01/405518001.db2.gz NMGLFIQZABIHNY-CQSZACIVSA-N 2 0 312.479 2.125 10 0 DEAERP c1cncc(C[NH2+]CCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423184438 405713550 /nfs/dbraw/zinc/71/35/50/405713550.db2.gz IBUDWGCMUHWMKK-IPMKNSEASA-N 2 0 316.493 2.462 10 0 DEAERP c1cncc(C[NH2+]CCCNC2CC[NH+](CC3CC3)CC2)c1 ZINC000569437347 406253077 /nfs/dbraw/zinc/25/30/77/406253077.db2.gz VMWCMXKLJBFRSS-UHFFFAOYSA-N 2 0 302.466 2.025 10 0 DEAERP c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2c(c1)COCC2 ZINC000635013675 406399500 /nfs/dbraw/zinc/39/95/00/406399500.db2.gz UWLCBAKWZFNYEQ-IPMKNSEASA-N 2 0 316.445 2.006 10 0 DEAERP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638306474 406687625 /nfs/dbraw/zinc/68/76/25/406687625.db2.gz CZBROMHKSHCRPU-QAPCUYQASA-N 2 0 315.461 2.013 10 0 DEAERP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638307215 406688014 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CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398039247 424922507 /nfs/dbraw/zinc/92/25/07/424922507.db2.gz KIKGCULHPNHHDW-CGTJXYLNSA-N 2 0 317.477 2.387 10 0 DEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425660 424932671 /nfs/dbraw/zinc/93/26/71/424932671.db2.gz KDEWXNXHZAZUDN-QZTJIDSGSA-N 2 0 315.461 2.155 10 0 DEAERP C[NH+](C)C1CC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497077046 269283778 /nfs/dbraw/zinc/28/37/78/269283778.db2.gz MWVVZIXKRVYEKS-WLYUNCDWSA-N 2 0 311.470 2.316 10 0 DEAERP CCC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[NH+](C)C ZINC000161802574 276021057 /nfs/dbraw/zinc/02/10/57/276021057.db2.gz SEGLHAHQSXSERL-IRXDYDNUSA-N 2 0 305.466 2.444 10 0 DEAERP O=C1NCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000179067612 280290740 /nfs/dbraw/zinc/29/07/40/280290740.db2.gz TULCDPGOIUDTMM-KRWDZBQOSA-N 2 0 301.434 2.041 10 0 DEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262654479 295621682 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2.086 10 0 DEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000261781909 636413101 /nfs/dbraw/zinc/41/31/01/636413101.db2.gz RYENJRUUUNZLPZ-BRWVUGGUSA-N 2 0 317.481 2.346 10 0 DEAERP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1 ZINC000069672601 648726045 /nfs/dbraw/zinc/72/60/45/648726045.db2.gz SVLCXCSPVJGDAN-HOCLYGCPSA-N 2 0 318.465 2.199 10 0 DEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000126136238 791194694 /nfs/dbraw/zinc/19/46/94/791194694.db2.gz JEHXFLQXPSYDSG-IRXDYDNUSA-N 2 0 303.450 2.142 10 0 DEAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000712606845 792191959 /nfs/dbraw/zinc/19/19/59/792191959.db2.gz FRZOTJCFOSNXAT-GOSISDBHSA-N 2 0 318.461 2.423 10 0 DEAERP CN(C(=O)CC[NH2+]CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000717153326 799256525 /nfs/dbraw/zinc/25/65/25/799256525.db2.gz YEISCLFJVOUVOG-GOSISDBHSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000717935493 1081807875 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303.450 2.014 10 0 DEAERP Cc1cc(C[NH3+])ccc1C[NH+]1CCN(c2nccs2)CC1 ZINC000164999759 197667926 /nfs/dbraw/zinc/66/79/26/197667926.db2.gz ORQCGQYHXWEOFC-UHFFFAOYSA-N 2 0 302.447 2.232 10 0 DEAERP CC(C)C[C@@H](C[NH3+])CC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000088290717 185244864 /nfs/dbraw/zinc/24/48/64/185244864.db2.gz QIOCPEJUXJPMTL-HNNXBMFYSA-N 2 0 312.479 2.191 10 0 DEAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCC(F)(F)F)C(N)=O ZINC000088434915 185250136 /nfs/dbraw/zinc/25/01/36/185250136.db2.gz JIIHAYCQGZXEDK-CYBMUJFWSA-N 2 0 311.392 2.285 10 0 DEAERP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCOCC1 ZINC000625268373 365707178 /nfs/dbraw/zinc/70/71/78/365707178.db2.gz YFWLSARNKLHUIK-QAPCUYQASA-N 2 0 308.466 2.131 10 0 DEAERP CC(C)(C)OC(=O)Nc1cccc([C@H](C[NH3+])N2CCC[C@@H]2[NH3+])c1 ZINC000090608616 185306503 /nfs/dbraw/zinc/30/65/03/185306503.db2.gz VMFRITOCUDVILX-LSDHHAIUSA-N 2 0 320.437 2.414 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193842094 282359230 /nfs/dbraw/zinc/35/92/30/282359230.db2.gz AQKLAWCUPJBGDU-CQSZACIVSA-N 2 0 312.502 2.279 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195128694 282369247 /nfs/dbraw/zinc/36/92/47/282369247.db2.gz SVVHUMOWWAKMEJ-BBWFWOEESA-N 2 0 324.513 2.138 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423854 282387156 /nfs/dbraw/zinc/38/71/56/282387156.db2.gz JSGKYQRHYGATQI-QWHCGFSZSA-N 2 0 304.394 2.492 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000245434115 282388432 /nfs/dbraw/zinc/38/84/32/282388432.db2.gz PPMOHVWKRWYWGU-SJORKVTESA-N 2 0 307.482 2.192 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000123942724 185859560 /nfs/dbraw/zinc/85/95/60/185859560.db2.gz PHRWCKDBLGINRM-BHUNQDJPSA-N 2 0 324.513 2.279 10 0 DEAERP C[NH2+][C@@H](C[C@H]1C[N@H+](C)CCN1C)c1cc(Cl)ccc1OC ZINC000149595274 186052125 /nfs/dbraw/zinc/05/21/25/186052125.db2.gz YFIUIWAFSIIQHH-ZFWWWQNUSA-N 2 0 311.857 2.245 10 0 DEAERP Cn1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000273045041 539801367 /nfs/dbraw/zinc/80/13/67/539801367.db2.gz JGSDACYNEDOADO-NZSAHSFTSA-N 2 0 310.445 2.420 10 0 DEAERP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000333166083 539950581 /nfs/dbraw/zinc/95/05/81/539950581.db2.gz OVGKXEXODPNIQN-QXSSDPEGSA-N 2 0 307.482 2.048 10 0 DEAERP C[C@@H](CCNC(=O)[C@]1(C)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379644059 540122036 /nfs/dbraw/zinc/12/20/36/540122036.db2.gz BYFSVDKURZHYPM-YJBOKZPZSA-N 2 0 303.450 2.155 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382712638 540124151 /nfs/dbraw/zinc/12/41/51/540124151.db2.gz WKYCSJGGABMNQV-PKOBYXMFSA-N 2 0 315.461 2.109 10 0 DEAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000073722476 191347742 /nfs/dbraw/zinc/34/77/42/191347742.db2.gz RYJCSUTUQLBDDT-CVEARBPZSA-N 2 0 312.502 2.088 10 0 DEAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC1([NH3+])CC1 ZINC000404366941 540144763 /nfs/dbraw/zinc/14/47/63/540144763.db2.gz PRWNVOLUPMYGRH-ARFHVFGLSA-N 2 0 315.461 2.378 10 0 DEAERP CCN(Cc1ccccc1)[C@@H](C[NH3+])CNC(=O)OC(C)(C)C ZINC000226184775 356278137 /nfs/dbraw/zinc/27/81/37/356278137.db2.gz BYAKMJGLGHPATI-HNNXBMFYSA-N 2 0 307.438 2.361 10 0 DEAERP CC/C=C\CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000588475927 540258252 /nfs/dbraw/zinc/25/82/52/540258252.db2.gz DKKXSNZCFMFZBB-XFHJGTJQSA-N 2 0 309.498 2.070 10 0 DEAERP c1cn(-c2csc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)c2)cn1 ZINC000579829919 357038091 /nfs/dbraw/zinc/03/80/91/357038091.db2.gz XXGMRRAATHZXMP-CYBMUJFWSA-N 2 0 314.418 2.362 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000180148504 199123270 /nfs/dbraw/zinc/12/32/70/199123270.db2.gz CYDGGGTXMQTSBC-KZNAEPCWSA-N 2 0 315.461 2.422 10 0 DEAERP NC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000152717032 283353586 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DEAERP CC(C)(CN1CCC[NH2+][C@H](C2CCCCC2)C1)S(C)(=O)=O ZINC000093525725 193263866 /nfs/dbraw/zinc/26/38/66/193263866.db2.gz YUZYTODBSDZKTC-HNNXBMFYSA-N 2 0 316.511 2.054 10 0 DEAERP C[NH+](C)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C[NH3+])C1 ZINC000094334350 193360345 /nfs/dbraw/zinc/36/03/45/193360345.db2.gz UQZKCGAAACDLNF-LLVKDONJSA-N 2 0 302.344 2.090 10 0 DEAERP CC1(C)CSC[C@](C[NH3+])(N2CC[NH+](C3CCCC3)CC2)C1 ZINC000094489494 193373171 /nfs/dbraw/zinc/37/31/71/193373171.db2.gz DXWVMAKBHYDFPJ-KRWDZBQOSA-N 2 0 311.539 2.407 10 0 DEAERP C[N@@H+](Cc1cc(C(N)=S)ccc1F)CC1CC[NH+](C)CC1 ZINC000063120821 184271635 /nfs/dbraw/zinc/27/16/35/184271635.db2.gz YMIUVAZLEJJDJW-UHFFFAOYSA-N 2 0 309.454 2.234 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000539417187 285076881 /nfs/dbraw/zinc/07/68/81/285076881.db2.gz DAFBKDWKGCHGSS-GOSISDBHSA-N 2 0 317.477 2.309 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000158256568 197257675 /nfs/dbraw/zinc/25/76/75/197257675.db2.gz LORJXLHHTJMAPU-UHFFFAOYSA-N 2 0 312.502 2.090 10 0 DEAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194603384 132539710 /nfs/dbraw/zinc/53/97/10/132539710.db2.gz ZGAXAQUYUBHGKH-UHFFFAOYSA-N 2 0 319.493 2.195 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000358181069 133126759 /nfs/dbraw/zinc/12/67/59/133126759.db2.gz BYPRQFPAVYMTNS-QGZVFWFLSA-N 2 0 322.497 2.060 10 0 DEAERP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336315 145091501 /nfs/dbraw/zinc/09/15/01/145091501.db2.gz JMXSVWHROAUTFS-GOSISDBHSA-N 2 0 313.445 2.203 10 0 DEAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1c2ccccc2NC1=O ZINC000246337620 145099621 /nfs/dbraw/zinc/09/96/21/145099621.db2.gz GOXWTUBDSJFYAK-LNCBFAARSA-N 2 0 301.434 2.431 10 0 DEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)C[C@H]1n1ccnc1 ZINC000247005604 145123267 /nfs/dbraw/zinc/12/32/67/145123267.db2.gz DBYCUDDOCUDOGZ-CRAIPNDOSA-N 2 0 324.428 2.355 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000247506234 145139529 /nfs/dbraw/zinc/13/95/29/145139529.db2.gz ORPMYSKWRNNOJU-HZPDHXFCSA-N 2 0 310.486 2.034 10 0 DEAERP Cn1c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2sc1=O ZINC000261642460 145213175 /nfs/dbraw/zinc/21/31/75/145213175.db2.gz AKSLMIVUHWDFQP-MELADBBJSA-N 2 0 317.458 2.159 10 0 DEAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2c1NCC2 ZINC000261787637 145226589 /nfs/dbraw/zinc/22/65/89/145226589.db2.gz FYZMFDCLBNZBAJ-FGTMMUONSA-N 2 0 315.461 2.338 10 0 DEAERP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)ccc1C ZINC000261862366 145234674 /nfs/dbraw/zinc/23/46/74/145234674.db2.gz CEZQWFSUALGPBL-ZACQAIPSSA-N 2 0 304.434 2.250 10 0 DEAERP Cn1ccnc1C[N@H+](C[C@@H]1CCSC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261948718 145245804 /nfs/dbraw/zinc/24/58/04/145245804.db2.gz NQLXXYDOIZOAFD-GJZGRUSLSA-N 2 0 320.506 2.117 10 0 DEAERP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261961534 145247400 /nfs/dbraw/zinc/24/74/00/145247400.db2.gz PPKQLHPPTDAADW-DXEWXGHRSA-N 2 0 320.408 2.396 10 0 DEAERP C[C@]1(CN2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000262023754 145253899 /nfs/dbraw/zinc/25/38/99/145253899.db2.gz NKNZFXWQSHDUQF-KRWDZBQOSA-N 2 0 307.869 2.457 10 0 DEAERP C[C@H]1C[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000262375115 145280125 /nfs/dbraw/zinc/28/01/25/145280125.db2.gz MWXAVUFFAWFDGV-WMZOPIPTSA-N 2 0 321.509 2.489 10 0 DEAERP COc1cc(OC)c(OC)cc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262429680 145283228 /nfs/dbraw/zinc/28/32/28/145283228.db2.gz FSEPHHNMXJIQET-MRXNPFEDSA-N 2 0 308.422 2.272 10 0 DEAERP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000309894779 145350479 /nfs/dbraw/zinc/35/04/79/145350479.db2.gz NPVAWLWUNCAOQL-ZWKOTPCHSA-N 2 0 315.461 2.014 10 0 DEAERP CC1=CC[NH+](CCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000358666210 147177487 /nfs/dbraw/zinc/17/74/87/147177487.db2.gz NEEGJFIMZJLXME-QGZVFWFLSA-N 2 0 322.497 2.154 10 0 DEAERP CC[C@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847460 148053902 /nfs/dbraw/zinc/05/39/02/148053902.db2.gz SDLGRHXFWFHVNE-YJBOKZPZSA-N 2 0 303.450 2.013 10 0 DEAERP CC[N@H+]1C[C@H]2C[NH+](C)C[C@@H](C1)C2OC(=O)c1ccc(Cl)cc1 ZINC000000001034 401687444 /nfs/dbraw/zinc/68/74/44/401687444.db2.gz PMCPYLGCPSNSLS-MZBDJJRSSA-N 2 0 322.836 2.379 10 0 DEAERP CNC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000113931955 401787568 /nfs/dbraw/zinc/78/75/68/401787568.db2.gz LOCPCPMKANJWQN-UHFFFAOYSA-N 2 0 315.461 2.354 10 0 DEAERP CC[NH+](CC)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115781294 401836324 /nfs/dbraw/zinc/83/63/24/401836324.db2.gz ZXCRBEOPVPHOSZ-UHFFFAOYSA-N 2 0 324.444 2.028 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085362895 401914209 /nfs/dbraw/zinc/91/42/09/401914209.db2.gz ATRZJDNPSJNUJR-LSDHHAIUSA-N 2 0 314.518 2.238 10 0 DEAERP Cc1noc(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000089518273 401950484 /nfs/dbraw/zinc/95/04/84/401950484.db2.gz YSVGWZJTLTXXAM-CYBMUJFWSA-N 2 0 318.421 2.212 10 0 DEAERP CC(C)[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106902380 402221147 /nfs/dbraw/zinc/22/11/47/402221147.db2.gz JETLNKQURDGRMY-SFHVURJKSA-N 2 0 317.477 2.148 10 0 DEAERP CCC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000154878445 402237099 /nfs/dbraw/zinc/23/70/99/402237099.db2.gz CRTALKUFTSYMPK-DOTOQJQBSA-N 2 0 305.466 2.353 10 0 DEAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000176365189 402303476 /nfs/dbraw/zinc/30/34/76/402303476.db2.gz LIKSNCNISWVQCB-YDZMOUMUSA-N 2 0 322.497 2.174 10 0 DEAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176486675 402313807 /nfs/dbraw/zinc/31/38/07/402313807.db2.gz SHSPIXIYWLBWFL-KRWDZBQOSA-N 2 0 322.497 2.129 10 0 DEAERP O=C(NCC[C@H]1CCC[NH2+]C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000237883548 402424719 /nfs/dbraw/zinc/42/47/19/402424719.db2.gz KWRITRQQVRVBBB-MRXNPFEDSA-N 2 0 315.461 2.402 10 0 DEAERP Cn1ccnc1CC1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000178540057 402509441 /nfs/dbraw/zinc/50/94/41/402509441.db2.gz ANKZEUUBJOPPON-UHFFFAOYSA-N 2 0 323.400 2.163 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)CC(C)C ZINC000247371105 402565565 /nfs/dbraw/zinc/56/55/65/402565565.db2.gz FCPRKSMDZKAHLZ-IRXDYDNUSA-N 2 0 324.513 2.233 10 0 DEAERP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246427763 402530829 /nfs/dbraw/zinc/53/08/29/402530829.db2.gz MKVKCFXQPBVZSZ-BBWFWOEESA-N 2 0 324.513 2.233 10 0 DEAERP C[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178747371 402533818 /nfs/dbraw/zinc/53/38/18/402533818.db2.gz FWBYSMQQGPQLAA-WMLDXEAASA-N 2 0 301.434 2.019 10 0 DEAERP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246512813 402534745 /nfs/dbraw/zinc/53/47/45/402534745.db2.gz QPFIHTHLOVIRLV-XJNFMUPTSA-N 2 0 303.450 2.264 10 0 DEAERP CO[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000248406286 402589163 /nfs/dbraw/zinc/58/91/63/402589163.db2.gz BAHSGLPXPZUSRG-QFBILLFUSA-N 2 0 320.477 2.399 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171633527 402603962 /nfs/dbraw/zinc/60/39/62/402603962.db2.gz XLWYCXFNRSJAGQ-SJORKVTESA-N 2 0 324.513 2.233 10 0 DEAERP CC1CC[NH+](C2CCC(NC(=O)C3CC[NH2+]CC3)CC2)CC1 ZINC000182708794 402710734 /nfs/dbraw/zinc/71/07/34/402710734.db2.gz IYEXJOYECUTNAV-UHFFFAOYSA-N 2 0 307.482 2.145 10 0 DEAERP C[C@@]1(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261752935 402717136 /nfs/dbraw/zinc/71/71/36/402717136.db2.gz KDFGJGYWUQEHEL-FUHWJXTLSA-N 2 0 319.493 2.101 10 0 DEAERP C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000173395684 402696138 /nfs/dbraw/zinc/69/61/38/402696138.db2.gz KNCKRNWPPUGNEL-HOTGVXAUSA-N 2 0 324.513 2.375 10 0 DEAERP C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC[NH2+]CC1 ZINC000262664123 402729621 /nfs/dbraw/zinc/72/96/21/402729621.db2.gz ILCGMCPMKGVECX-LNRIEFBSSA-N 2 0 307.482 2.144 10 0 DEAERP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192499086 402732770 /nfs/dbraw/zinc/73/27/70/402732770.db2.gz LKLLYGWZEAJXQB-CQSZACIVSA-N 2 0 319.474 2.422 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000174840922 402759594 /nfs/dbraw/zinc/75/95/94/402759594.db2.gz VZBFWJTWFZYXCJ-IXDOHACOSA-N 2 0 322.497 2.129 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000193134302 402766518 /nfs/dbraw/zinc/76/65/18/402766518.db2.gz VFHFTKGCHAPJJB-INIZCTEOSA-N 2 0 312.502 2.135 10 0 DEAERP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734719 402813712 /nfs/dbraw/zinc/81/37/12/402813712.db2.gz WFDJHANYVQUSOO-HOTGVXAUSA-N 2 0 309.498 2.488 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000175730235 402827309 /nfs/dbraw/zinc/82/73/09/402827309.db2.gz LGCGZIGLWMQBIB-DYVFJYSZSA-N 2 0 315.465 2.439 10 0 DEAERP CN1CCC[C@H]1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195159 402836018 /nfs/dbraw/zinc/83/60/18/402836018.db2.gz PDGIWWZIJFHUMB-WMLDXEAASA-N 2 0 311.470 2.317 10 0 DEAERP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000282049631 403117306 /nfs/dbraw/zinc/11/73/06/403117306.db2.gz VJTSFRIJFJLJDD-HNNXBMFYSA-N 2 0 313.445 2.337 10 0 DEAERP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nc2ncccn12 ZINC000298260701 403344016 /nfs/dbraw/zinc/34/40/16/403344016.db2.gz FOLRPFXBRBJJHI-UHFFFAOYSA-N 2 0 301.438 2.475 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000333358962 403733852 /nfs/dbraw/zinc/73/38/52/403733852.db2.gz KUBZDLAYYJZTRV-XHSDSOJGSA-N 2 0 310.486 2.018 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333384072 403739537 /nfs/dbraw/zinc/73/95/37/403739537.db2.gz NXBHLDXTCWJMAH-CVEARBPZSA-N 2 0 324.513 2.328 10 0 DEAERP [NH3+]C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000333659878 403806069 /nfs/dbraw/zinc/80/60/69/403806069.db2.gz LKRXWLQSAUFACK-IRXDYDNUSA-N 2 0 322.497 2.164 10 0 DEAERP c1cncc(C[NH2+]CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414857272 404750225 /nfs/dbraw/zinc/75/02/25/404750225.db2.gz CHYDDTBYXMVUER-RCCFBDPRSA-N 2 0 302.466 2.072 10 0 DEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361220380 404979908 /nfs/dbraw/zinc/97/99/08/404979908.db2.gz LOOSWHZJXRSKIY-KRWDZBQOSA-N 2 0 307.482 2.384 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000390004745 405043700 /nfs/dbraw/zinc/04/37/00/405043700.db2.gz VVHFUMDZXPYKIS-BPQIPLTHSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@H](C[NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852008 405715666 /nfs/dbraw/zinc/71/56/66/405715666.db2.gz SPYIDBHGXNHMKB-WBVHZDCISA-N 2 0 303.450 2.142 10 0 DEAERP C[NH+](C)CC(C)(C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000457213953 405756746 /nfs/dbraw/zinc/75/67/46/405756746.db2.gz WBHKHVROMHUGRR-UHFFFAOYSA-N 2 0 303.450 2.352 10 0 DEAERP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCCO2 ZINC000155014097 292369180 /nfs/dbraw/zinc/36/91/80/292369180.db2.gz RJODDYCCWQMVLD-SJLPKXTDSA-N 2 0 317.477 2.434 10 0 DEAERP c1nc2n(n1)[C@@H](C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)CC2 ZINC000639547961 406139817 /nfs/dbraw/zinc/13/98/17/406139817.db2.gz ZLKNNNURTXRJOL-QGZVFWFLSA-N 2 0 317.481 2.353 10 0 DEAERP O=C(CCC1C[NH2+]C1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000638080308 406558401 /nfs/dbraw/zinc/55/84/01/406558401.db2.gz NQCXGNMKJFQBSZ-GOSISDBHSA-N 2 0 315.461 2.157 10 0 DEAERP [NH3+]C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390755808 424917675 /nfs/dbraw/zinc/91/76/75/424917675.db2.gz VURQECGXVFLZLZ-DAWZGUTISA-N 2 0 315.461 2.285 10 0 DEAERP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312918 425621533 /nfs/dbraw/zinc/62/15/33/425621533.db2.gz HPSYKQLMBTUUGN-HUUCEWRRSA-N 2 0 304.500 2.039 10 0 DEAERP CO[C@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397495803 269106463 /nfs/dbraw/zinc/10/64/63/269106463.db2.gz PZAWFJSIIIYQCG-HZPDHXFCSA-N 2 0 306.450 2.027 10 0 DEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000397688510 269106682 /nfs/dbraw/zinc/10/66/82/269106682.db2.gz OYHNDDMIPQSXKX-WMZOPIPTSA-N 2 0 318.461 2.028 10 0 DEAERP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000164534004 278040930 /nfs/dbraw/zinc/04/09/30/278040930.db2.gz BSKJYOFOTSVNAH-RRCSTGOVSA-N 2 0 304.434 2.317 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246563123 279125478 /nfs/dbraw/zinc/12/54/78/279125478.db2.gz BKWAJRGGNLISKM-GVDBMIGSSA-N 2 0 324.513 2.088 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000077793512 279158380 /nfs/dbraw/zinc/15/83/80/279158380.db2.gz FSLOFASWHBOEAE-XHSDSOJGSA-N 2 0 312.502 2.136 10 0 DEAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000261813558 300310000 /nfs/dbraw/zinc/31/00/00/300310000.db2.gz ADYYEFNOUBLPQZ-HOTGVXAUSA-N 2 0 307.482 2.371 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000398014379 337303859 /nfs/dbraw/zinc/30/38/59/337303859.db2.gz FMYOHQURMCMFFS-KBAYOESNSA-N 2 0 315.461 2.155 10 0 DEAERP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237071561 521923392 /nfs/dbraw/zinc/92/33/92/521923392.db2.gz KCLWWBRVBNKHEL-SQNIBIBYSA-N 2 0 315.461 2.285 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[NH+]1CCC(C)CC1 ZINC000246269288 524442845 /nfs/dbraw/zinc/44/28/45/524442845.db2.gz LQMFWKKWONLZJM-VQHPVUNQSA-N 2 0 307.482 2.144 10 0 DEAERP CC1=CC[NH+](CCNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447990179 528117519 /nfs/dbraw/zinc/11/75/19/528117519.db2.gz RAMZBQOJUJKFLD-MRXNPFEDSA-N 2 0 322.497 2.058 10 0 DEAERP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360154601 535048184 /nfs/dbraw/zinc/04/81/84/535048184.db2.gz TXLREYPBNJGOKG-SJLPKXTDSA-N 2 0 317.477 2.403 10 0 DEAERP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000191784307 535502994 /nfs/dbraw/zinc/50/29/94/535502994.db2.gz VFOLNZPBWQHZCT-INIZCTEOSA-N 2 0 305.470 2.109 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000381767840 685402392 /nfs/dbraw/zinc/40/23/92/685402392.db2.gz PDPDPRQRNMROIQ-RTBURBONSA-N 2 0 320.477 2.274 10 0 DEAERP Cn1cccc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886041384 691990463 /nfs/dbraw/zinc/99/04/63/691990463.db2.gz PKTPNNNGNVYMIQ-SFHVURJKSA-N 2 0 314.433 2.135 10 0 DEAERP Cn1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c(Br)n1 ZINC000712479119 792190504 /nfs/dbraw/zinc/19/05/04/792190504.db2.gz GIGOYPVCTFZLMN-UHFFFAOYSA-N 2 0 317.275 2.393 10 0 DEAERP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(Br)n1 ZINC000715545826 792476947 /nfs/dbraw/zinc/47/69/47/792476947.db2.gz YONXKRNNIDEQNG-UHFFFAOYSA-N 2 0 315.259 2.145 10 0 DEAERP CNC(=O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716678574 792984368 /nfs/dbraw/zinc/98/43/68/792984368.db2.gz KZRDOCAYADVDES-BZSNNMDCSA-N 2 0 315.461 2.155 10 0 DEAERP CC[S@@](=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680773 793001610 /nfs/dbraw/zinc/00/16/10/793001610.db2.gz UMTUIDPLJUMZDU-VDNWNZSNSA-N 2 0 320.502 2.398 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000701867900 1086387688 /nfs/dbraw/zinc/38/76/88/1086387688.db2.gz ODCNLYPQHIGWIK-GBRKPNRJSA-N 2 0 323.481 2.458 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000711436425 1087102843 /nfs/dbraw/zinc/10/28/43/1087102843.db2.gz BJOCCAZEVAMBHH-KBXIAJHMSA-N 2 0 311.470 2.362 10 0 DEAERP C[C@H]([NH3+])CCC[C@H](C)C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000087705842 185230819 /nfs/dbraw/zinc/23/08/19/185230819.db2.gz FVBDCPIVDDJEJH-KBPBESRZSA-N 2 0 312.479 2.333 10 0 DEAERP [NH3+]C[C@@]1(Nc2cccc(Br)c2)C[NH+]2CCC1CC2 ZINC000087915238 185237443 /nfs/dbraw/zinc/23/74/43/185237443.db2.gz LWAFJCNGYZMBHG-CQSZACIVSA-N 2 0 310.239 2.284 10 0 DEAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCCC1 ZINC000262317823 282237537 /nfs/dbraw/zinc/23/75/37/282237537.db2.gz BRNQROOSDNEIBZ-BHYGNILZSA-N 2 0 309.498 2.391 10 0 DEAERP CN(C[C@@H]1CCC[N@@H+]1C)c1cc(Br)ccc1C[NH3+] ZINC000092633061 185330382 /nfs/dbraw/zinc/33/03/82/185330382.db2.gz HVFKOFYUSRVFOS-ZDUSSCGKSA-N 2 0 312.255 2.438 10 0 DEAERP CCC(CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000261883795 282274485 /nfs/dbraw/zinc/27/44/85/282274485.db2.gz SBOWHWGMOCKIKW-RDJZCZTQSA-N 2 0 309.498 2.393 10 0 DEAERP C[NH+](C)Cc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000076129126 539361082 /nfs/dbraw/zinc/36/10/82/539361082.db2.gz GAXUDYKQCWMEID-UHFFFAOYSA-N 2 0 304.438 2.306 10 0 DEAERP COc1cc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)ccc1F ZINC000152661406 186094786 /nfs/dbraw/zinc/09/47/86/186094786.db2.gz QFQBGAQJUQVYOC-AWEZNQCLSA-N 2 0 309.429 2.122 10 0 DEAERP COc1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)nn1C ZINC000152677013 186096432 /nfs/dbraw/zinc/09/64/32/186096432.db2.gz JMSLPUNUUHZAHQ-UHFFFAOYSA-N 2 0 306.454 2.045 10 0 DEAERP Cc1ccc([C@@H](C[NH3+])N(C)CC[NH+](C)C)c(Br)c1 ZINC000164076509 186148167 /nfs/dbraw/zinc/14/81/67/186148167.db2.gz UBGFEYQJYDDCHW-CQSZACIVSA-N 2 0 314.271 2.251 10 0 DEAERP CCC(CC)[C@H](CNC(=O)CC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000164391918 186157984 /nfs/dbraw/zinc/15/79/84/186157984.db2.gz OXZKWAFDZGJIIL-KRWDZBQOSA-N 2 0 309.498 2.393 10 0 DEAERP C[N@H+](CCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900912 198003985 /nfs/dbraw/zinc/00/39/85/198003985.db2.gz BNZLDFOBCPWHEG-QGZVFWFLSA-N 2 0 322.497 2.131 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309693231 539877974 /nfs/dbraw/zinc/87/79/74/539877974.db2.gz CITYAIDGDOODMW-IRXDYDNUSA-N 2 0 303.450 2.093 10 0 DEAERP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309746144 539878314 /nfs/dbraw/zinc/87/83/14/539878314.db2.gz XTHZQSDQARVAON-RCCFBDPRSA-N 2 0 315.461 2.094 10 0 DEAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000333842869 539973711 /nfs/dbraw/zinc/97/37/11/539973711.db2.gz OOEWCOWLSVITGE-ULQDDVLXSA-N 2 0 322.497 2.164 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000236770391 202001380 /nfs/dbraw/zinc/00/13/80/202001380.db2.gz RWJIOZAMYPVXNB-KRWDZBQOSA-N 2 0 303.450 2.315 10 0 DEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236863051 202041401 /nfs/dbraw/zinc/04/14/01/202041401.db2.gz QQPKEOXROAHWCD-QWHCGFSZSA-N 2 0 323.403 2.237 10 0 DEAERP C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000381880002 356673217 /nfs/dbraw/zinc/67/32/17/356673217.db2.gz OLEMZFRPVIREMT-HUUCEWRRSA-N 2 0 313.486 2.421 10 0 DEAERP [NH3+]C[C@@H]1CN(c2cc(NC3CC3)ncn2)C[C@H]1c1ccccc1 ZINC000578122851 356765203 /nfs/dbraw/zinc/76/52/03/356765203.db2.gz UIEASKQNBGKTKU-ZBFHGGJFSA-N 2 0 309.417 2.230 10 0 DEAERP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000579825276 357036315 /nfs/dbraw/zinc/03/63/15/357036315.db2.gz UGWJFGXFWRMWFW-XVGQJIODSA-N 2 0 324.428 2.113 10 0 DEAERP Cc1nccn1CCCCNC(=O)Nc1ccc2nccn2c1 ZINC000608314011 361196534 /nfs/dbraw/zinc/19/65/34/361196534.db2.gz YUDOBOBUBCDRCP-UHFFFAOYSA-N 2 0 312.377 2.441 10 0 DEAERP CC1(C)CCC[C@H](CN2CCN(c3nccs3)CC2)[C@@H]1[NH3+] ZINC000094286288 193356450 /nfs/dbraw/zinc/35/64/50/193356450.db2.gz XCFAAELGNDBANB-KGLIPLIRSA-N 2 0 308.495 2.419 10 0 DEAERP C[NH2+][C@@H]1[C@H](C[N@H+](CCOC)[C@@H](C)COC)CCCC1(C)C ZINC000094287880 193356473 /nfs/dbraw/zinc/35/64/73/193356473.db2.gz YTLQMALCKSHZKY-HRCADAONSA-N 2 0 300.487 2.384 10 0 DEAERP CCC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638875 193387956 /nfs/dbraw/zinc/38/79/56/193387956.db2.gz VQHNBTWIORLVHW-FJBKBRRZSA-N 2 0 316.511 2.324 10 0 DEAERP CC[NH2+][C@H]1[C@H](C[N@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430084 193368504 /nfs/dbraw/zinc/36/85/04/193368504.db2.gz HKAUMPAKDNSOKI-KBPBESRZSA-N 2 0 300.487 2.261 10 0 DEAERP CC[NH2+][C@@H]1[C@@H](C[N@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429311 193369052 /nfs/dbraw/zinc/36/90/52/193369052.db2.gz GZKJEUZPRHVULS-HUUCEWRRSA-N 2 0 300.487 2.261 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106457894 194217975 /nfs/dbraw/zinc/21/79/75/194217975.db2.gz JTDRGUWZRJULNL-RDJZCZTQSA-N 2 0 305.466 2.006 10 0 DEAERP C[C@@H](C(N)=S)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000109471379 194267113 /nfs/dbraw/zinc/26/71/13/194267113.db2.gz KEDNIHGRBDHUJR-LBPRGKRZSA-N 2 0 300.431 2.031 10 0 DEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000111132557 194394255 /nfs/dbraw/zinc/39/42/55/194394255.db2.gz ILYCZORSBOSEKO-CYBMUJFWSA-N 2 0 318.234 2.081 10 0 DEAERP CN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000062711693 184248932 /nfs/dbraw/zinc/24/89/32/184248932.db2.gz OAQDATWPFPMELT-RISCZKNCSA-N 2 0 301.356 2.130 10 0 DEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2cccc(Br)c2)C1 ZINC000062964079 184262782 /nfs/dbraw/zinc/26/27/82/184262782.db2.gz RYEWVDBMSMYVKI-KGLIPLIRSA-N 2 0 312.255 2.085 10 0 DEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000062964068 184262912 /nfs/dbraw/zinc/26/29/12/184262912.db2.gz LUZHJXGMWSAWTI-KBPBESRZSA-N 2 0 312.255 2.085 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)[C@H](C)C1 ZINC000184240972 285383538 /nfs/dbraw/zinc/38/35/38/285383538.db2.gz DFFUMKLGBDUUQF-CVEARBPZSA-N 2 0 309.498 2.474 10 0 DEAERP C[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703246 133246641 /nfs/dbraw/zinc/24/66/41/133246641.db2.gz PSHRBWKSGOPLCS-HKUYNNGSSA-N 2 0 301.478 2.187 10 0 DEAERP c1cc2c(cc1C[N@@H+]1CCS[C@H]3COCC[C@@H]31)C[NH2+]CC2 ZINC000564803594 292111745 /nfs/dbraw/zinc/11/17/45/292111745.db2.gz KGJPRVOUIBQCSX-IRXDYDNUSA-N 2 0 304.459 2.039 10 0 DEAERP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCOCC2 ZINC000248998776 145175495 /nfs/dbraw/zinc/17/54/95/145175495.db2.gz PVBVGPOHFRUYPJ-QHEDDYRISA-N 2 0 308.466 2.175 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083581 145178114 /nfs/dbraw/zinc/17/81/14/145178114.db2.gz MXRNHWMGTMXNID-DZGCQCFKSA-N 2 0 307.438 2.261 10 0 DEAERP C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544245 145206469 /nfs/dbraw/zinc/20/64/69/145206469.db2.gz ISAQTBREBDLJFL-RWQQGDIJSA-N 2 0 301.478 2.485 10 0 DEAERP COc1cccc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261741394 145221954 /nfs/dbraw/zinc/22/19/54/145221954.db2.gz PFKJBAUDFMGMSQ-HNNXBMFYSA-N 2 0 305.422 2.083 10 0 DEAERP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000261794368 145227453 /nfs/dbraw/zinc/22/74/53/145227453.db2.gz GJVZFLSHDJRSCY-SZMVWBNQSA-N 2 0 302.466 2.006 10 0 DEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261868887 145235191 /nfs/dbraw/zinc/23/51/91/145235191.db2.gz XQQUKJDWEHMDID-FGTMMUONSA-N 2 0 315.461 2.142 10 0 DEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309902554 145350243 /nfs/dbraw/zinc/35/02/43/145350243.db2.gz PHERICSAWQQECX-RYQLBKOJSA-N 2 0 317.477 2.388 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115815245 401837745 /nfs/dbraw/zinc/83/77/45/401837745.db2.gz SBVJIOZQEGJRHI-QGZVFWFLSA-N 2 0 324.513 2.092 10 0 DEAERP C[NH+](C)CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)(C)C ZINC000116566754 401854836 /nfs/dbraw/zinc/85/48/36/401854836.db2.gz FWKBSABWECXPGB-CVEARBPZSA-N 2 0 324.513 2.233 10 0 DEAERP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000121800942 402053029 /nfs/dbraw/zinc/05/30/29/402053029.db2.gz QNDRKFISAVEJPP-AWEZNQCLSA-N 2 0 308.388 2.498 10 0 DEAERP COc1cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1F ZINC000153617399 402157241 /nfs/dbraw/zinc/15/72/41/402157241.db2.gz SCSPRLHDLQGAHO-KGLIPLIRSA-N 2 0 309.429 2.121 10 0 DEAERP CN(c1ccccc1C[NH2+][C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000177578948 402417480 /nfs/dbraw/zinc/41/74/80/402417480.db2.gz BHFMLVCLSSYHHL-QGZVFWFLSA-N 2 0 317.477 2.486 10 0 DEAERP [NH3+][C@@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237872524 402423732 /nfs/dbraw/zinc/42/37/32/402423732.db2.gz KBTWGXGRHFWBIN-SFHVURJKSA-N 2 0 315.461 2.411 10 0 DEAERP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000237895515 402425397 /nfs/dbraw/zinc/42/53/97/402425397.db2.gz ZESMRSPMDOCRHN-ROUUACIJSA-N 2 0 315.461 2.416 10 0 DEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000186786503 402464268 /nfs/dbraw/zinc/46/42/68/402464268.db2.gz ZSBNUIDLZVMNGN-KBAYOESNSA-N 2 0 315.461 2.013 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000245480578 402464554 /nfs/dbraw/zinc/46/45/54/402464554.db2.gz XLEDEDHAVDVVMZ-IRXDYDNUSA-N 2 0 324.513 2.234 10 0 DEAERP Cc1cc(C)n2c(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cnc2n1 ZINC000245691067 402480047 /nfs/dbraw/zinc/48/00/47/402480047.db2.gz ARVZAZJLPXQQJE-DOTOQJQBSA-N 2 0 313.449 2.262 10 0 DEAERP CC(C)c1nnc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)n1C ZINC000245724674 402483159 /nfs/dbraw/zinc/48/31/59/402483159.db2.gz VCRGXMATTBINCB-UONOGXRCSA-N 2 0 302.426 2.218 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247255354 402561789 /nfs/dbraw/zinc/56/17/89/402561789.db2.gz NSNRCUDLSHITHR-IAGOWNOFSA-N 2 0 324.513 2.377 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000246191163 402517590 /nfs/dbraw/zinc/51/75/90/402517590.db2.gz MKUKQTHRXAMIHE-RDJZCZTQSA-N 2 0 322.497 2.129 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000246199132 402518024 /nfs/dbraw/zinc/51/80/24/402518024.db2.gz MWZOKDYKCCHBGS-ZACQAIPSSA-N 2 0 324.513 2.231 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246335256 402525798 /nfs/dbraw/zinc/52/57/98/402525798.db2.gz DEOIXQBACOXTDU-PMPSAXMXSA-N 2 0 312.502 2.088 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246446872 402531501 /nfs/dbraw/zinc/53/15/01/402531501.db2.gz NZSHJEYFYRAWAC-HZPDHXFCSA-N 2 0 312.502 2.090 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000189203197 402531836 /nfs/dbraw/zinc/53/18/36/402531836.db2.gz AJMPSXSOSSCRJJ-UHFFFAOYSA-N 2 0 312.502 2.092 10 0 DEAERP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246579766 402537278 /nfs/dbraw/zinc/53/72/78/402537278.db2.gz ZSKYIBXCPBFJDN-DLBZAZTESA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000182700985 402709906 /nfs/dbraw/zinc/70/99/06/402709906.db2.gz NDQOWBKCVSXMAH-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000261640120 402714962 /nfs/dbraw/zinc/71/49/62/402714962.db2.gz DUOOHXWMGTZETL-XKQJLSEDSA-N 2 0 309.417 2.180 10 0 DEAERP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000174013790 402723384 /nfs/dbraw/zinc/72/33/84/402723384.db2.gz UQSFVIZOCHBGCN-HZPDHXFCSA-N 2 0 319.449 2.044 10 0 DEAERP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734690 402813592 /nfs/dbraw/zinc/81/35/92/402813592.db2.gz WFDJHANYVQUSOO-JKSUJKDBSA-N 2 0 309.498 2.488 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175865366 402839164 /nfs/dbraw/zinc/83/91/64/402839164.db2.gz SGIZSLSUVNUDBC-OAGGEKHMSA-N 2 0 312.502 2.135 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000175209742 402788261 /nfs/dbraw/zinc/78/82/61/402788261.db2.gz KFXIZUXIOZLDJX-KRWDZBQOSA-N 2 0 320.481 2.320 10 0 DEAERP Cc1noc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000282040560 403116084 /nfs/dbraw/zinc/11/60/84/403116084.db2.gz LLJNOMZLBPPHJL-ZDUSSCGKSA-N 2 0 301.394 2.290 10 0 DEAERP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC000396392982 405057242 /nfs/dbraw/zinc/05/72/42/405057242.db2.gz ROWLFMMGESXDGU-RYRKJORJSA-N 2 0 315.461 2.107 10 0 DEAERP CNC(=O)c1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424283733 405057741 /nfs/dbraw/zinc/05/77/41/405057741.db2.gz BSNQIOBHGGRTQB-CQSZACIVSA-N 2 0 301.434 2.010 10 0 DEAERP c1nnc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC000420364354 405333163 /nfs/dbraw/zinc/33/31/63/405333163.db2.gz QPLDKAXPOFIWAK-GJZGRUSLSA-N 2 0 303.454 2.182 10 0 DEAERP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000127568945 292367649 /nfs/dbraw/zinc/36/76/49/292367649.db2.gz LXMKVERBZODOBD-SJLPKXTDSA-N 2 0 317.477 2.434 10 0 DEAERP C[C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237346256 286794193 /nfs/dbraw/zinc/79/41/93/286794193.db2.gz CAJYMDXYEXZPKL-JKSUJKDBSA-N 2 0 307.482 2.099 10 0 DEAERP CCC[NH+]1CCC(Nc2nc(N)ncc2Br)CC1 ZINC000131173373 196146489 /nfs/dbraw/zinc/14/64/89/196146489.db2.gz ZTUKIZLRQUTYJL-UHFFFAOYSA-N 2 0 314.231 2.108 10 0 DEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425663 424932716 /nfs/dbraw/zinc/93/27/16/424932716.db2.gz KDEWXNXHZAZUDN-ROUUACIJSA-N 2 0 315.461 2.155 10 0 DEAERP CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccccc1Br ZINC000311090518 424895242 /nfs/dbraw/zinc/89/52/42/424895242.db2.gz ICKJDSBQXRLEGG-NWDGAFQWSA-N 2 0 315.255 2.412 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1csc(Br)c1 ZINC000397280300 269105535 /nfs/dbraw/zinc/10/55/35/269105535.db2.gz ACQSMVCJIUECSG-JTQLQIEISA-N 2 0 307.257 2.354 10 0 DEAERP CC(C)(C[NH2+]Cc1ccc(-n2cncn2)cc1)C[NH+]1CCCC1 ZINC000360177120 275549011 /nfs/dbraw/zinc/54/90/11/275549011.db2.gz HNILBJOYORBBKC-UHFFFAOYSA-N 2 0 313.449 2.479 10 0 DEAERP C[C@@]1(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)CC[NH2+]C1 ZINC000261925475 278121519 /nfs/dbraw/zinc/12/15/19/278121519.db2.gz CBKFKIOWRZOELP-GOSISDBHSA-N 2 0 311.433 2.231 10 0 DEAERP Cc1nc(C)n(C[C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163049221 279080223 /nfs/dbraw/zinc/08/02/23/279080223.db2.gz YWKJFKVVJPPIER-IRXDYDNUSA-N 2 0 305.470 2.091 10 0 DEAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262655712 279123649 /nfs/dbraw/zinc/12/36/49/279123649.db2.gz CRYGWSJGFUQQPE-NXOAAHMSSA-N 2 0 307.482 2.097 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136979070 279125489 /nfs/dbraw/zinc/12/54/89/279125489.db2.gz BKWAJRGGNLISKM-BRWVUGGUSA-N 2 0 324.513 2.088 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245678803 279309266 /nfs/dbraw/zinc/30/92/66/279309266.db2.gz GESXQMZGPVEJSR-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP C(Cc1nnc2n1CCC2)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000575232824 326230825 /nfs/dbraw/zinc/23/08/25/326230825.db2.gz VSFYKOOCRFWXPY-UHFFFAOYSA-N 2 0 317.481 2.154 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000398014381 337303988 /nfs/dbraw/zinc/30/39/88/337303988.db2.gz FMYOHQURMCMFFS-NJAFHUGGSA-N 2 0 315.461 2.155 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362905296 535081772 /nfs/dbraw/zinc/08/17/72/535081772.db2.gz RKFQJMVJFRSKSY-QGZVFWFLSA-N 2 0 309.498 2.203 10 0 DEAERP CC[NH2+]CC1CC[NH+](CC(=O)N(CC)Cc2ccccc2)CC1 ZINC000261552001 535457664 /nfs/dbraw/zinc/45/76/64/535457664.db2.gz QXILQLJJPULWPG-UHFFFAOYSA-N 2 0 317.477 2.357 10 0 DEAERP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000261788855 535458492 /nfs/dbraw/zinc/45/84/92/535458492.db2.gz SWVQVBPGDOIEFF-CQSZACIVSA-N 2 0 321.440 2.324 10 0 DEAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CC[C@H](C)[NH3+] ZINC000262781246 535527492 /nfs/dbraw/zinc/52/74/92/535527492.db2.gz LNJRKOGZAGTRTJ-INIZCTEOSA-N 2 0 305.466 2.484 10 0 DEAERP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261626056 535593141 /nfs/dbraw/zinc/59/31/41/535593141.db2.gz BIERMDPVRQQGRU-QBPKDAKJSA-N 2 0 309.498 2.378 10 0 DEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237153664 637291419 /nfs/dbraw/zinc/29/14/19/637291419.db2.gz UWQUUCRAKBBCME-SJORKVTESA-N 2 0 303.450 2.094 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381828617 685402333 /nfs/dbraw/zinc/40/23/33/685402333.db2.gz IAUHGNLFVNYKAL-NZSAHSFTSA-N 2 0 320.477 2.273 10 0 DEAERP Cc1nocc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886029119 691987367 /nfs/dbraw/zinc/98/73/67/691987367.db2.gz QVJINKIKGRYHMO-KRWDZBQOSA-N 2 0 316.405 2.093 10 0 DEAERP Brc1cnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000714952800 792374941 /nfs/dbraw/zinc/37/49/41/792374941.db2.gz VQCXJDNJDIVAQF-LPEHRKFASA-N 2 0 316.268 2.383 10 0 DEAERP [NH3+][C@H]1C[C@H]([NH2+]CCCOCCOCc2ccccc2)C12CCC2 ZINC000405427134 802065392 /nfs/dbraw/zinc/06/53/92/802065392.db2.gz RFRMCSJAEUOLLL-ROUUACIJSA-N 2 0 318.461 2.469 10 0 DEAERP C[C@]1(CNC2=[NH+]CCCCN2)CC[N@H+](Cc2ccccc2)C1 ZINC000700042926 1086307644 /nfs/dbraw/zinc/30/76/44/1086307644.db2.gz JHDABJVLTSWTDJ-GOSISDBHSA-N 2 0 300.450 2.228 10 0 DEAERP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000709478138 1086682911 /nfs/dbraw/zinc/68/29/11/1086682911.db2.gz MMXCVISXNMQWSX-AYBZRNKSSA-N 2 0 315.461 2.155 10 0 DEAERP CC1(C)C[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000711255867 1087039504 /nfs/dbraw/zinc/03/95/04/1087039504.db2.gz ZOAPRXADZDWXOI-KRWDZBQOSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000711436434 1087102875 /nfs/dbraw/zinc/10/28/75/1087102875.db2.gz BJOCCAZEVAMBHH-ZQDZILKHSA-N 2 0 311.470 2.362 10 0 DEAERP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CC1([NH3+])CC1 ZINC000719908597 1089403563 /nfs/dbraw/zinc/40/35/63/1089403563.db2.gz FZTCKBRJWCGYHZ-QGZVFWFLSA-N 2 0 315.461 2.381 10 0 DEAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)CCC(F)(F)F)C(N)=O ZINC000088434985 185250200 /nfs/dbraw/zinc/25/02/00/185250200.db2.gz PAZUSFKKGIZVKI-CYBMUJFWSA-N 2 0 311.392 2.283 10 0 DEAERP C[NH2+][C@H](C)c1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000092364738 185314095 /nfs/dbraw/zinc/31/40/95/185314095.db2.gz AVEVVPAEFCCAMR-GFCCVEGCSA-N 2 0 305.403 2.471 10 0 DEAERP CCC[NH2+][C@@H]1C(=O)Nc2cc(OCC[NH+](C)C)c(Cl)cc21 ZINC000092770033 185339494 /nfs/dbraw/zinc/33/94/94/185339494.db2.gz QDVLEZYUPKBMQT-AWEZNQCLSA-N 2 0 311.813 2.273 10 0 DEAERP CC[NH+](CC)CCCN1Cc2c(cccc2N(C)C)[C@H]1C[NH3+] ZINC000071683388 191006895 /nfs/dbraw/zinc/00/68/95/191006895.db2.gz CHZIBGZYHCPZAO-GOSISDBHSA-N 2 0 304.482 2.300 10 0 DEAERP C[N@@H+](Cc1cc(N)cc(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000148059223 186042341 /nfs/dbraw/zinc/04/23/41/186042341.db2.gz WVFHDNSFDJIWIW-LLVKDONJSA-N 2 0 312.255 2.415 10 0 DEAERP C[NH+]1CCN(CC[NH2+]Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000163861288 186140448 /nfs/dbraw/zinc/14/04/48/186140448.db2.gz ZYRPUQAQKBBVAY-UHFFFAOYSA-N 2 0 306.841 2.158 10 0 DEAERP [NH3+]C1CC[NH+]([C@@H]2CCN(Cc3cc(Cl)ccc3F)C2)CC1 ZINC000163926754 186142666 /nfs/dbraw/zinc/14/26/66/186142666.db2.gz ZBAIORFJPDIPMP-OAHLLOKOSA-N 2 0 311.832 2.477 10 0 DEAERP CN1C[C@@]2(CCC[N@H+](Cc3cc(C[NH+](C)C)cs3)C2)OC1=O ZINC000072432372 191164997 /nfs/dbraw/zinc/16/49/97/191164997.db2.gz YOUFHOOFGHZSLZ-MRXNPFEDSA-N 2 0 323.462 2.226 10 0 DEAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000066243185 354705869 /nfs/dbraw/zinc/70/58/69/354705869.db2.gz JKDDCESFGSKROM-HNNXBMFYSA-N 2 0 300.450 2.500 10 0 DEAERP O=c1cc(C[NH2+]CC2CC[NH2+]CC2)nc(-c2ccc(F)cc2)[nH]1 ZINC000073696180 191343188 /nfs/dbraw/zinc/34/31/88/191343188.db2.gz WDEUGZZACWMVKI-UHFFFAOYSA-N 2 0 316.380 2.078 10 0 DEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263283822 356344428 /nfs/dbraw/zinc/34/44/28/356344428.db2.gz SZHZDJJEMNNOQC-MULDDASSSA-N 2 0 321.509 2.390 10 0 DEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2nccn2c1 ZINC000608313839 361196342 /nfs/dbraw/zinc/19/63/42/361196342.db2.gz OJTFLHIPVAKMFM-ZDUSSCGKSA-N 2 0 301.394 2.140 10 0 DEAERP Nc1[nH+]c2cccc(Cl)c2n1C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091675118 193089376 /nfs/dbraw/zinc/08/93/76/193089376.db2.gz HQVBRXYZCCSKQJ-MNOVXSKESA-N 2 0 306.797 2.135 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629545119 367243454 /nfs/dbraw/zinc/24/34/54/367243454.db2.gz BNFOGDNERFRVNG-OYSPMZIOSA-N 2 0 314.429 2.399 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1c(Cl)cccc1Cl ZINC000093374632 193241002 /nfs/dbraw/zinc/24/10/02/193241002.db2.gz AOLOBVKBPWOQIW-LLVKDONJSA-N 2 0 301.221 2.226 10 0 DEAERP C[NH+]1CCC2(C[NH+]=C(N)N2c2cccc(Br)c2)CC1 ZINC000093387291 193242450 /nfs/dbraw/zinc/24/24/50/193242450.db2.gz PKAIJTAIGQJDQY-UHFFFAOYSA-N 2 0 323.238 2.048 10 0 DEAERP CCC[NH2+][C@H]1[C@@H](C[NH+](CCOC)CCOC)CCC1(C)C ZINC000094317840 193359581 /nfs/dbraw/zinc/35/95/81/193359581.db2.gz OPJAWUBZGSMBQD-CVEARBPZSA-N 2 0 300.487 2.386 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453400396 245114690 /nfs/dbraw/zinc/11/46/90/245114690.db2.gz MAESMQUNGPNMOH-SUMDDJOVSA-N 2 0 315.461 2.155 10 0 DEAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)CC1CC[NH+](C)CC1 ZINC000458220855 248213574 /nfs/dbraw/zinc/21/35/74/248213574.db2.gz JPWNHALFPYYMGW-UHFFFAOYSA-N 2 0 323.506 2.370 10 0 DEAERP C[C@@H](C[N@H+](C)CCOc1ccc(Br)cc1)C(N)=[NH2+] ZINC000042459867 183272615 /nfs/dbraw/zinc/27/26/15/183272615.db2.gz QMOPFQXUVAPXCW-JTQLQIEISA-N 2 0 314.227 2.332 10 0 DEAERP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000104898375 284786616 /nfs/dbraw/zinc/78/66/16/284786616.db2.gz XZHYGNHESSDRKV-SJORKVTESA-N 2 0 303.450 2.232 10 0 DEAERP C[C@@H]1CN(c2nc(-c3ccccc3)c(C[NH3+])s2)CC[N@@H+]1C ZINC000110760102 194356745 /nfs/dbraw/zinc/35/67/45/194356745.db2.gz MVMLXNKJKFHOTM-GFCCVEGCSA-N 2 0 302.447 2.409 10 0 DEAERP CN(CCC[NH+](C)C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000111140790 194393912 /nfs/dbraw/zinc/39/39/12/194393912.db2.gz QSNLNFLSSJNUJE-UHFFFAOYSA-N 2 0 307.467 2.036 10 0 DEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062709471 184248905 /nfs/dbraw/zinc/24/89/05/184248905.db2.gz QUOFOVAWJMRNNI-AWEZNQCLSA-N 2 0 301.356 2.131 10 0 DEAERP CC(C)[NH2+]Cc1nc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000062942513 184261640 /nfs/dbraw/zinc/26/16/40/184261640.db2.gz UIISECMKUCIAEL-OAHLLOKOSA-N 2 0 308.495 2.311 10 0 DEAERP CC[NH+](CC)[C@@H]1CCN(c2nc3sccn3c2C[NH2+]C)C1 ZINC000062967246 184263541 /nfs/dbraw/zinc/26/35/41/184263541.db2.gz KCAUCDIZACQFMQ-GFCCVEGCSA-N 2 0 307.467 2.036 10 0 DEAERP CN(CC[NH+]1CCCC1)c1cc(Br)ccc1C[NH3+] ZINC000063052523 184268841 /nfs/dbraw/zinc/26/88/41/184268841.db2.gz QELUDGOGKMGZDY-UHFFFAOYSA-N 2 0 312.255 2.440 10 0 DEAERP CCC[C@H]([NH2+]C)c1c(Br)cnn1CC[NH+](C)C ZINC000158761744 197299508 /nfs/dbraw/zinc/29/95/08/197299508.db2.gz DWTWYBRCJBFPKW-NSHDSACASA-N 2 0 303.248 2.268 10 0 DEAERP C[C@@H](Cn1c(N)[nH+]c2cc(F)c(Br)cc21)[NH+](C)C ZINC000158411239 197269825 /nfs/dbraw/zinc/26/98/25/197269825.db2.gz BMWOCSSNXHIBGS-ZETCQYMHSA-N 2 0 315.190 2.470 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000155571701 197068425 /nfs/dbraw/zinc/06/84/25/197068425.db2.gz WSPWAHPBCNVSNK-JKSUJKDBSA-N 2 0 312.502 2.136 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246393555 145101217 /nfs/dbraw/zinc/10/12/17/145101217.db2.gz RCSRJDHIHABVIL-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000247500394 145139136 /nfs/dbraw/zinc/13/91/36/145139136.db2.gz UZKXBPCZLNZZRI-HOTGVXAUSA-N 2 0 322.497 2.129 10 0 DEAERP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)ccc1C ZINC000261862361 145234665 /nfs/dbraw/zinc/23/46/65/145234665.db2.gz CEZQWFSUALGPBL-GVDBMIGSSA-N 2 0 304.434 2.250 10 0 DEAERP CSc1ccccc1NC(=O)CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000261897196 145238319 /nfs/dbraw/zinc/23/83/19/145238319.db2.gz VFADKDWMWFKJBT-MRXNPFEDSA-N 2 0 307.463 2.278 10 0 DEAERP C[C@H](NC(=O)CN(C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460626 145285409 /nfs/dbraw/zinc/28/54/09/145285409.db2.gz INMXDASLVQNBAA-BBRMVZONSA-N 2 0 307.413 2.077 10 0 DEAERP O[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C[NH+]1CCCCC1 ZINC000151252755 296581091 /nfs/dbraw/zinc/58/10/91/296581091.db2.gz UWNSKTRNUYKDMP-RTBURBONSA-N 2 0 302.462 2.444 10 0 DEAERP CCC[NH+]1CCC(N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358674168 147179339 /nfs/dbraw/zinc/17/93/39/147179339.db2.gz YPFNIVKKOONHDJ-UHFFFAOYSA-N 2 0 322.497 2.154 10 0 DEAERP c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@H](CN3CCOCC3)C1)C2 ZINC000359576421 147355010 /nfs/dbraw/zinc/35/50/10/147355010.db2.gz AHHHXDHBIMLRPJ-QZTJIDSGSA-N 2 0 314.473 2.446 10 0 DEAERP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cnc4cnccn34)C2)c1 ZINC000371374148 148094892 /nfs/dbraw/zinc/09/48/92/148094892.db2.gz PQBRFYWQZBETMD-OAHLLOKOSA-N 2 0 322.416 2.367 10 0 DEAERP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269722 148224381 /nfs/dbraw/zinc/22/43/81/148224381.db2.gz OYGNYWWCUAYLHI-SJLPKXTDSA-N 2 0 311.433 2.183 10 0 DEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000111881137 401727188 /nfs/dbraw/zinc/72/71/88/401727188.db2.gz XNBIQCSNTROXQL-HOTGVXAUSA-N 2 0 324.513 2.233 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000128324048 401771629 /nfs/dbraw/zinc/77/16/29/401771629.db2.gz IMGFBEGYCBZNKL-BBWFWOEESA-N 2 0 324.513 2.090 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000132441585 401867612 /nfs/dbraw/zinc/86/76/12/401867612.db2.gz ULSYNDXYHJTHQT-IKGGRYGDSA-N 2 0 324.513 2.135 10 0 DEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000119180189 401931368 /nfs/dbraw/zinc/93/13/68/401931368.db2.gz NEZSLQLMLJABJV-IBGZPJMESA-N 2 0 323.525 2.294 10 0 DEAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000151329554 402030269 /nfs/dbraw/zinc/03/02/69/402030269.db2.gz DHKNAZDJCQFQSD-OALUTQOASA-N 2 0 320.477 2.228 10 0 DEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000106913968 402222694 /nfs/dbraw/zinc/22/26/94/402222694.db2.gz VCEBGTXZHMNTFD-GOSISDBHSA-N 2 0 317.477 2.007 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000177420649 402400128 /nfs/dbraw/zinc/40/01/28/402400128.db2.gz IXCFWKZIHIDFOS-INIZCTEOSA-N 2 0 324.513 2.375 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C12CCOCC2 ZINC000186215081 402411146 /nfs/dbraw/zinc/41/11/46/402411146.db2.gz MKKUHZREMIVLQC-IAGOWNOFSA-N 2 0 310.482 2.426 10 0 DEAERP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238115898 402438718 /nfs/dbraw/zinc/43/87/18/402438718.db2.gz DGZMMFMPEIZOPW-XIRDDKMYSA-N 2 0 307.482 2.336 10 0 DEAERP C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000163573915 402453036 /nfs/dbraw/zinc/45/30/36/402453036.db2.gz AMOIGRSVHAMYAK-QAPCUYQASA-N 2 0 315.461 2.409 10 0 DEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164736168 402467715 /nfs/dbraw/zinc/46/77/15/402467715.db2.gz NMNRXHNAWNPHOD-RHSMWYFYSA-N 2 0 303.450 2.272 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000246179111 402516175 /nfs/dbraw/zinc/51/61/75/402516175.db2.gz LQFGGGRGRLHKPZ-SJORKVTESA-N 2 0 324.513 2.373 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246528035 402535490 /nfs/dbraw/zinc/53/54/90/402535490.db2.gz XRNIFSRYYRNCHE-BBWFWOEESA-N 2 0 324.513 2.373 10 0 DEAERP CC(C)[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179227810 402582341 /nfs/dbraw/zinc/58/23/41/402582341.db2.gz GUKPLYCLYQDBNC-PMRDEQMMSA-N 2 0 307.482 2.048 10 0 DEAERP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccnn2C)C1 ZINC000190458925 402602454 /nfs/dbraw/zinc/60/24/54/402602454.db2.gz LGJQRXSLFVQDCG-AWEZNQCLSA-N 2 0 319.478 2.139 10 0 DEAERP CCC[C@H](C)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000180089915 402606964 /nfs/dbraw/zinc/60/69/64/402606964.db2.gz WQMJBMTYURUQPX-ROUUACIJSA-N 2 0 311.514 2.149 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000249457392 402629967 /nfs/dbraw/zinc/62/99/67/402629967.db2.gz YFOBZLHGKDMQHP-OALUTQOASA-N 2 0 323.525 2.030 10 0 DEAERP CC[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)[NH+](CC)CC ZINC000261658106 402715432 /nfs/dbraw/zinc/71/54/32/402715432.db2.gz FBFKTURILZYOFB-KRWDZBQOSA-N 2 0 305.466 2.137 10 0 DEAERP Cc1cc(F)ccc1N1CCC[C@H](N2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261915680 402719116 /nfs/dbraw/zinc/71/91/16/402719116.db2.gz YBCJDYMDNXLNRZ-FUHWJXTLSA-N 2 0 319.424 2.300 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000173327932 402693015 /nfs/dbraw/zinc/69/30/15/402693015.db2.gz LQFGGGRGRLHKPZ-IAGOWNOFSA-N 2 0 324.513 2.373 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262662816 402729594 /nfs/dbraw/zinc/72/95/94/402729594.db2.gz HHGLLMVOTYQRSU-NXOAAHMSSA-N 2 0 307.482 2.097 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000194148315 402785719 /nfs/dbraw/zinc/78/57/19/402785719.db2.gz DXJABOYYWHRAAD-IRXDYDNUSA-N 2 0 324.513 2.425 10 0 DEAERP Cc1oncc1C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346927332 403607158 /nfs/dbraw/zinc/60/71/58/403607158.db2.gz NEFWLVJTOWPQKX-WMLDXEAASA-N 2 0 317.437 2.231 10 0 DEAERP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310078251 403966000 /nfs/dbraw/zinc/96/60/00/403966000.db2.gz HJDMPIFFSVUCQJ-SFHVURJKSA-N 2 0 323.440 2.397 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379655275 405027290 /nfs/dbraw/zinc/02/72/90/405027290.db2.gz LFEJVBXZGBRSBE-MOPGFXCFSA-N 2 0 319.493 2.385 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379634941 405028131 /nfs/dbraw/zinc/02/81/31/405028131.db2.gz VOBDJXOZIIUJPS-NEWSRXKRSA-N 2 0 319.493 2.383 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379681897 405029960 /nfs/dbraw/zinc/02/99/60/405029960.db2.gz UOJHLTGIKRIYLI-SZVBFZGTSA-N 2 0 315.461 2.298 10 0 DEAERP C[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000396322384 405057430 /nfs/dbraw/zinc/05/74/30/405057430.db2.gz MGAZRJOZORBWJM-FUHWJXTLSA-N 2 0 315.461 2.252 10 0 DEAERP COC[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000580468026 405624578 /nfs/dbraw/zinc/62/45/78/405624578.db2.gz KUWHEGFBGXZEIT-FCGDIQPGSA-N 2 0 318.461 2.169 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000568698639 292359806 /nfs/dbraw/zinc/35/98/06/292359806.db2.gz PNSPFKQRUPHUNS-UHFFFAOYSA-N 2 0 312.502 2.234 10 0 DEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC/C=C\c1ccccc1 ZINC000530641392 405837635 /nfs/dbraw/zinc/83/76/35/405837635.db2.gz HOTNSFVPFSYHFV-WQLSENKSSA-N 2 0 317.477 2.432 10 0 DEAERP c1ccc([C@H]2C[C@H]([NH2+]C3COCCOC3)CCN2C2CC2)cc1 ZINC000639201806 405969349 /nfs/dbraw/zinc/96/93/49/405969349.db2.gz MVJFAYVFKQCPML-VQIMIIECSA-N 2 0 316.445 2.360 10 0 DEAERP c1nc2n(n1)[C@@H](C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)CC2 ZINC000639451511 406094130 /nfs/dbraw/zinc/09/41/30/406094130.db2.gz QECPAJXAOPPDRT-QGZVFWFLSA-N 2 0 317.481 2.353 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000525300976 406483493 /nfs/dbraw/zinc/48/34/93/406483493.db2.gz SKBIENCFDCAYIC-QGZVFWFLSA-N 2 0 324.513 2.138 10 0 DEAERP O=C(CCC1C[NH2+]C1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638080006 406558487 /nfs/dbraw/zinc/55/84/87/406558487.db2.gz KMZRTSNMFRBLTH-GOSISDBHSA-N 2 0 315.461 2.014 10 0 DEAERP c1ccc(-c2noc(CC[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000577513775 406841067 /nfs/dbraw/zinc/84/10/67/406841067.db2.gz XTRYGZSAKZMFJQ-GOSISDBHSA-N 2 0 312.417 2.355 10 0 DEAERP COCC[NH2+]CCC[NH2+]Cc1cc(C)cc(Br)c1 ZINC000130912363 196121344 /nfs/dbraw/zinc/12/13/44/196121344.db2.gz OAIBDTOVBAHGHF-UHFFFAOYSA-N 2 0 315.255 2.473 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193727836 424871572 /nfs/dbraw/zinc/87/15/72/424871572.db2.gz OULCKJQVQIRJKZ-QGZVFWFLSA-N 2 0 324.513 2.136 10 0 DEAERP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000195127650 424880132 /nfs/dbraw/zinc/88/01/32/424880132.db2.gz NRJCZQXYRKQZQP-DLBZAZTESA-N 2 0 324.513 2.136 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000380900401 424908882 /nfs/dbraw/zinc/90/88/82/424908882.db2.gz OUAFDCNBVRGUSC-QGZVFWFLSA-N 2 0 303.450 2.141 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382762963 424910657 /nfs/dbraw/zinc/91/06/57/424910657.db2.gz NATGOTAMMLDCFQ-MSOLQXFVSA-N 2 0 317.477 2.340 10 0 DEAERP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000390775605 424917743 /nfs/dbraw/zinc/91/77/43/424917743.db2.gz MRIDKQYILKLNCK-RDJZCZTQSA-N 2 0 303.450 2.013 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309897398 424893824 /nfs/dbraw/zinc/89/38/24/424893824.db2.gz GZKOHAXMVCDWDJ-GOSISDBHSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000653201993 425433246 /nfs/dbraw/zinc/43/32/46/425433246.db2.gz CYBVNEGOVQDBJR-BVIKNXMNSA-N 2 0 315.461 2.106 10 0 DEAERP [NH3+]C1CCC([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000333272994 268917420 /nfs/dbraw/zinc/91/74/20/268917420.db2.gz KVOTWJZLMIGOCC-AVVWSFFYSA-N 2 0 302.422 2.152 10 0 DEAERP C(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000343703234 275392096 /nfs/dbraw/zinc/39/20/96/275392096.db2.gz GLJQHRCFRKYCHN-RDGPPVDQSA-N 2 0 322.493 2.378 10 0 DEAERP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000261605184 276792527 /nfs/dbraw/zinc/79/25/27/276792527.db2.gz AFUCQWDUSCVPFD-INIZCTEOSA-N 2 0 319.449 2.344 10 0 DEAERP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000186480984 277169022 /nfs/dbraw/zinc/16/90/22/277169022.db2.gz BIGVVKWXBXGFOX-ROUUACIJSA-N 2 0 309.413 2.321 10 0 DEAERP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000246856390 278040924 /nfs/dbraw/zinc/04/09/24/278040924.db2.gz BSKJYOFOTSVNAH-SJXGUFTOSA-N 2 0 304.434 2.317 10 0 DEAERP CC(C)CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000362762775 278804448 /nfs/dbraw/zinc/80/44/48/278804448.db2.gz MHIVCVHJGQGHQQ-UHFFFAOYSA-N 2 0 309.498 2.297 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000079495475 279123056 /nfs/dbraw/zinc/12/30/56/279123056.db2.gz NWLYGWCHPZYLPX-MRXNPFEDSA-N 2 0 324.513 2.233 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000173905664 279328853 /nfs/dbraw/zinc/32/88/53/279328853.db2.gz QFKJAFPKKRZTSO-KRWDZBQOSA-N 2 0 324.513 2.377 10 0 DEAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000261788759 280114120 /nfs/dbraw/zinc/11/41/20/280114120.db2.gz STNIHYZXARSDOO-NJAFHUGGSA-N 2 0 319.493 2.384 10 0 DEAERP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262086784 281241829 /nfs/dbraw/zinc/24/18/29/281241829.db2.gz ULOVINYMXBVUDK-MAUKXSAKSA-N 2 0 316.449 2.040 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000133334750 282013959 /nfs/dbraw/zinc/01/39/59/282013959.db2.gz RXOYUHLSFNNRNJ-QGZVFWFLSA-N 2 0 324.513 2.279 10 0 DEAERP C[C@@]1(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033348 289163570 /nfs/dbraw/zinc/16/35/70/289163570.db2.gz OGGWFLLRUZPKRC-CRAIPNDOSA-N 2 0 302.466 2.398 10 0 DEAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000188074109 333024256 /nfs/dbraw/zinc/02/42/56/333024256.db2.gz VHUWRKCDHHYRDV-OAHLLOKOSA-N 2 0 306.450 2.015 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246272242 525379366 /nfs/dbraw/zinc/37/93/66/525379366.db2.gz LVRIWKWSYMZJSY-FZKCQIBNSA-N 2 0 309.498 2.377 10 0 DEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448281082 528221541 /nfs/dbraw/zinc/22/15/41/528221541.db2.gz KWUVHZUJOBUMAC-BPQIPLTHSA-N 2 0 319.493 2.336 10 0 DEAERP CC1(C)CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000261949311 535349629 /nfs/dbraw/zinc/34/96/29/535349629.db2.gz JZTLWDXTFFDCTP-KRWDZBQOSA-N 2 0 315.461 2.482 10 0 DEAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])ccc1F ZINC000263045916 535990929 /nfs/dbraw/zinc/99/09/29/535990929.db2.gz UAOAGLWQXOWUCZ-CRAIPNDOSA-N 2 0 321.440 2.411 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(Br)s1 ZINC000226365966 536850912 /nfs/dbraw/zinc/85/09/12/536850912.db2.gz VLSLASGWPAYTPE-JTQLQIEISA-N 2 0 321.284 2.397 10 0 DEAERP C[C@]1(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]C1 ZINC000309943775 625287994 /nfs/dbraw/zinc/28/79/94/625287994.db2.gz CEWXYHAZOKZWEF-ZCNNSNEGSA-N 3 0 313.489 2.440 10 0 DEAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(C)c3)C2)[C@@H]1C(C)C ZINC000888097456 635540776 /nfs/dbraw/zinc/54/07/76/635540776.db2.gz JEWSXVDTOUCYCN-YRXWBPOGSA-N 2 0 317.477 2.349 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]CC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261669903 635996924 /nfs/dbraw/zinc/99/69/24/635996924.db2.gz GFVGZZMLFWCPKN-LBPRGKRZSA-N 2 0 305.397 2.190 10 0 DEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000168773233 646597661 /nfs/dbraw/zinc/59/76/61/646597661.db2.gz HTJFYUMOCGEYRD-XJKSGUPXSA-N 2 0 307.438 2.329 10 0 DEAERP OC1(CC[NH2+][C@@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717978200 1081855304 /nfs/dbraw/zinc/85/53/04/1081855304.db2.gz YYLGEVPUBSMHMO-GOSISDBHSA-N 2 0 318.461 2.172 10 0 DEAERP CC(C)(C)OC(=O)Nc1cccc([C@@H](C[NH3+])N2CCC[C@@H]2[NH3+])c1 ZINC000090608615 185306367 /nfs/dbraw/zinc/30/63/67/185306367.db2.gz VMFRITOCUDVILX-HUUCEWRRSA-N 2 0 320.437 2.414 10 0 DEAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000123612864 185825842 /nfs/dbraw/zinc/82/58/42/185825842.db2.gz FPIDIAAZWDFNRA-INIZCTEOSA-N 2 0 300.487 2.216 10 0 DEAERP C[NH2+][C@@H](C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149573026 186050751 /nfs/dbraw/zinc/05/07/51/186050751.db2.gz VEPAZTZUGDKJFR-ZFWWWQNUSA-N 2 0 311.857 2.245 10 0 DEAERP CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@@H]1C[N@H+](C)CCN1C ZINC000149684311 186051977 /nfs/dbraw/zinc/05/19/77/186051977.db2.gz ASTUJZHLYYNLOS-JKSUJKDBSA-N 2 0 309.885 2.497 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303089416 539860956 /nfs/dbraw/zinc/86/09/56/539860956.db2.gz OSCUAAMTCAPRLS-QZTJIDSGSA-N 2 0 315.461 2.157 10 0 DEAERP C[C@@H]1CC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000333166085 539950399 /nfs/dbraw/zinc/95/03/99/539950399.db2.gz OVGKXEXODPNIQN-UALQAHIBSA-N 2 0 307.482 2.048 10 0 DEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173920119 198270033 /nfs/dbraw/zinc/27/00/33/198270033.db2.gz HEMLEEYPVRFBFD-AWEZNQCLSA-N 2 0 300.406 2.390 10 0 DEAERP Cc1ccc([C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000174782989 198384964 /nfs/dbraw/zinc/38/49/64/198384964.db2.gz FYNKWPTVMJZTOS-VQIMIIECSA-N 2 0 320.477 2.053 10 0 DEAERP CCC(CC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000073431484 191316832 /nfs/dbraw/zinc/31/68/32/191316832.db2.gz KETBENFOUSJIKA-INIZCTEOSA-N 2 0 312.502 2.233 10 0 DEAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)C[NH3+] ZINC000404312071 540144914 /nfs/dbraw/zinc/14/49/14/540144914.db2.gz LXFCGJSHCVOSFX-ARFHVFGLSA-N 2 0 317.477 2.481 10 0 DEAERP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404366942 540146408 /nfs/dbraw/zinc/14/64/08/540146408.db2.gz PRWNVOLUPMYGRH-BZUAXINKSA-N 2 0 315.461 2.378 10 0 DEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236909130 202064664 /nfs/dbraw/zinc/06/46/64/202064664.db2.gz SRHDBAHXILLWKR-WMLDXEAASA-N 2 0 303.450 2.272 10 0 DEAERP C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000381880003 356673109 /nfs/dbraw/zinc/67/31/09/356673109.db2.gz OLEMZFRPVIREMT-LSDHHAIUSA-N 2 0 313.486 2.421 10 0 DEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000607671309 361103647 /nfs/dbraw/zinc/10/36/47/361103647.db2.gz DDUZNMSMGSXPRH-OFQRWUPVSA-N 2 0 321.490 2.199 10 0 DEAERP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188508 365325680 /nfs/dbraw/zinc/32/56/80/365325680.db2.gz RXXORPHGUVXCFS-RBUKOAKNSA-N 2 0 321.509 2.236 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1csc(Br)c1 ZINC000629571748 367256370 /nfs/dbraw/zinc/25/63/70/367256370.db2.gz PXWJSFGFFVGUCW-UHFFFAOYSA-N 2 0 307.257 2.178 10 0 DEAERP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000262234273 203237366 /nfs/dbraw/zinc/23/73/66/203237366.db2.gz PKKXRFZEJRHVPU-LZWOXQAQSA-N 2 0 307.438 2.296 10 0 DEAERP C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000093486033 193258271 /nfs/dbraw/zinc/25/82/71/193258271.db2.gz AKHWIWNFDIADDE-RDBSUJKOSA-N 2 0 307.404 2.381 10 0 DEAERP CCC[NH2+][C@]1(CO)CC[C@@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093857097 193319981 /nfs/dbraw/zinc/31/99/81/193319981.db2.gz ZYICVWIUZJKNEX-IAGOWNOFSA-N 2 0 300.487 2.407 10 0 DEAERP CCC[NH2+]CC1CC[NH+]([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644246 193389528 /nfs/dbraw/zinc/38/95/28/193389528.db2.gz SMARNZWVVMWLNM-HOTGVXAUSA-N 2 0 316.511 2.054 10 0 DEAERP [NH3+]CC1(N2CC[N@@H+]3CCC[C@@H]3C2)CCC(C(F)(F)F)CC1 ZINC000094458986 193371654 /nfs/dbraw/zinc/37/16/54/193371654.db2.gz JMRZPBLRMUUBOX-ROKHWSDSSA-N 2 0 305.388 2.216 10 0 DEAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000094755004 193395575 /nfs/dbraw/zinc/39/55/75/193395575.db2.gz WTYMGFBJQDMGOV-GOEBONIOSA-N 2 0 310.463 2.087 10 0 DEAERP C[NH2+][C@H](c1c(Br)cnn1CC[NH+](C)C)C1CCC1 ZINC000159979940 197377477 /nfs/dbraw/zinc/37/74/77/197377477.db2.gz UNOWPCJDGFKFER-LBPRGKRZSA-N 2 0 315.259 2.268 10 0 DEAERP Cc1ccc([C@@H](C)[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508131 183085134 /nfs/dbraw/zinc/08/51/34/183085134.db2.gz CLJKQGIHZHGMPA-ZIAGYGMSSA-N 2 0 307.463 2.014 10 0 DEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000111133010 194394105 /nfs/dbraw/zinc/39/41/05/194394105.db2.gz AXGVHQIFNOIGGT-CYBMUJFWSA-N 2 0 318.234 2.081 10 0 DEAERP CN(CC[NH+](C)C)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000111140548 194394266 /nfs/dbraw/zinc/39/42/66/194394266.db2.gz VQRXJWNPQSONIT-UHFFFAOYSA-N 2 0 309.483 2.282 10 0 DEAERP CN(CC[C@H]([NH3+])c1ccc(Br)cc1)CC[NH+](C)C ZINC000111147014 194394962 /nfs/dbraw/zinc/39/49/62/194394962.db2.gz SKWYMRLATGGXMC-AWEZNQCLSA-N 2 0 314.271 2.332 10 0 DEAERP CN(CC[C@H]([NH3+])c1ccccc1Br)CC[NH+](C)C ZINC000111146721 194395463 /nfs/dbraw/zinc/39/54/63/194395463.db2.gz WOCJDMKDHVZJCH-AWEZNQCLSA-N 2 0 314.271 2.332 10 0 DEAERP CC[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)c2C(N)=S)CC1 ZINC000156672388 197131991 /nfs/dbraw/zinc/13/19/91/197131991.db2.gz TXBJWHBRNPRSPA-GFCCVEGCSA-N 2 0 306.479 2.253 10 0 DEAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2cccs2)[C@H]2CCCO[C@@H]12 ZINC000247993380 257112801 /nfs/dbraw/zinc/11/28/01/257112801.db2.gz LYIREKBECXNWIY-ARFHVFGLSA-N 2 0 310.463 2.058 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163854492 132123672 /nfs/dbraw/zinc/12/36/72/132123672.db2.gz MBFLPVULOZIXMA-KRWDZBQOSA-N 2 0 301.434 2.041 10 0 DEAERP Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246683597 145111008 /nfs/dbraw/zinc/11/10/08/145111008.db2.gz JYFPMZPCCGXBHU-GVDBMIGSSA-N 2 0 306.450 2.149 10 0 DEAERP C[C@H]1CCC[N@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247396424 145135874 /nfs/dbraw/zinc/13/58/74/145135874.db2.gz HESZLPJQCNEEPK-XYTVBORESA-N 2 0 322.497 2.033 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C2)[nH+]1 ZINC000249291208 145182295 /nfs/dbraw/zinc/18/22/95/145182295.db2.gz MKTBBXLYOJNYQH-OLZOCXBDSA-N 2 0 317.355 2.437 10 0 DEAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261549652 145206857 /nfs/dbraw/zinc/20/68/57/145206857.db2.gz OWWSGCVNTPQTPM-WCIQWLHISA-N 3 0 313.489 2.486 10 0 DEAERP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549216 145206883 /nfs/dbraw/zinc/20/68/83/145206883.db2.gz OJPNJORIIPNBLE-ROUUACIJSA-N 2 0 315.461 2.252 10 0 DEAERP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550897 145207289 /nfs/dbraw/zinc/20/72/89/145207289.db2.gz PXDNIBWVWWABJR-AEFFLSMTSA-N 2 0 315.461 2.109 10 0 DEAERP [NH3+][C@H](CC(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000261664523 145215039 /nfs/dbraw/zinc/21/50/39/145215039.db2.gz OHRXHNSJNWYSPN-MYCCOQIQSA-N 2 0 301.434 2.099 10 0 DEAERP COCCOc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261680707 145216399 /nfs/dbraw/zinc/21/63/99/145216399.db2.gz GXYKBPOXIBCEBE-QGZVFWFLSA-N 2 0 322.449 2.280 10 0 DEAERP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)C2)cc1 ZINC000262013179 145252682 /nfs/dbraw/zinc/25/26/82/145252682.db2.gz VSWIUBGRCJMOJT-AITUJVMLSA-N 2 0 315.461 2.012 10 0 DEAERP C[C@@H](Cc1nc(-c2ccc(C[NH3+])cc2)no1)C1CC[NH2+]CC1 ZINC000262131647 145264865 /nfs/dbraw/zinc/26/48/65/145264865.db2.gz YEKAXYDEGQDNJJ-LBPRGKRZSA-N 2 0 300.406 2.374 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000262561955 145293294 /nfs/dbraw/zinc/29/32/94/145293294.db2.gz VQMGVXCHSMOKAS-HZPDHXFCSA-N 2 0 303.450 2.184 10 0 DEAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263189826 145334202 /nfs/dbraw/zinc/33/42/02/145334202.db2.gz HSEPDZNCROWEGO-BVBHFADKSA-N 2 0 318.461 2.280 10 0 DEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263224049 145337960 /nfs/dbraw/zinc/33/79/60/145337960.db2.gz MLUAUFSLIZPJHC-SWLSCSKDSA-N 2 0 306.406 2.224 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)C[C@H]1C ZINC000358648678 147173386 /nfs/dbraw/zinc/17/33/86/147173386.db2.gz MSBDCVWUUWGYTM-SJORKVTESA-N 2 0 322.497 2.153 10 0 DEAERP c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@@H](CN3CCOCC3)C1)C2 ZINC000359576417 147354290 /nfs/dbraw/zinc/35/42/90/147354290.db2.gz AHHHXDHBIMLRPJ-MSOLQXFVSA-N 2 0 314.473 2.446 10 0 DEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073665115 401719991 /nfs/dbraw/zinc/71/99/91/401719991.db2.gz HUIRHHZJERWGPV-XYTVBORESA-N 2 0 322.497 2.175 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000080582911 401890985 /nfs/dbraw/zinc/89/09/85/401890985.db2.gz CAZZIPDXUOKWHN-MRXNPFEDSA-N 2 0 324.513 2.282 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000133822817 401895073 /nfs/dbraw/zinc/89/50/73/401895073.db2.gz FYBSMNJMKRZHRA-IRXDYDNUSA-N 2 0 324.513 2.090 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054764278 402071362 /nfs/dbraw/zinc/07/13/62/402071362.db2.gz DLTNOPBYMZISAU-MRXNPFEDSA-N 2 0 320.481 2.148 10 0 DEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCCC1 ZINC000176402979 402306592 /nfs/dbraw/zinc/30/65/92/402306592.db2.gz LBBFWLZERSHALM-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176415368 402307200 /nfs/dbraw/zinc/30/72/00/402307200.db2.gz REOXWPFYWXGLRQ-BBWFWOEESA-N 2 0 324.513 2.231 10 0 DEAERP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246013582 402503950 /nfs/dbraw/zinc/50/39/50/402503950.db2.gz ZVHDNHWBENUSQJ-XHSDSOJGSA-N 2 0 320.481 2.368 10 0 DEAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1nccn1C ZINC000246078902 402508189 /nfs/dbraw/zinc/50/81/89/402508189.db2.gz UQEYEYZFTTVHQV-YQQAZPJKSA-N 2 0 313.449 2.376 10 0 DEAERP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000246756397 402543887 /nfs/dbraw/zinc/54/38/87/402543887.db2.gz BPXPZWKRLJWZRX-NCOADZHNSA-N 2 0 324.513 2.135 10 0 DEAERP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000178839992 402545641 /nfs/dbraw/zinc/54/56/41/402545641.db2.gz KUCVVMZRCWTZHB-JDEYZFBPSA-N 2 0 321.509 2.473 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccco1 ZINC000171192946 402565119 /nfs/dbraw/zinc/56/51/19/402565119.db2.gz URNRDFNZJOIGCO-GJZGRUSLSA-N 2 0 322.453 2.056 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246196238 402518169 /nfs/dbraw/zinc/51/81/69/402518169.db2.gz MSFWFNDQCVGVDA-GVDBMIGSSA-N 2 0 324.513 2.375 10 0 DEAERP C[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178747354 402533745 /nfs/dbraw/zinc/53/37/45/402533745.db2.gz FWBYSMQQGPQLAA-YOEHRIQHSA-N 2 0 301.434 2.019 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248430548 402590306 /nfs/dbraw/zinc/59/03/06/402590306.db2.gz AXLMHIWOZUMYRE-HOTGVXAUSA-N 2 0 310.486 2.034 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000179517189 402593128 /nfs/dbraw/zinc/59/31/28/402593128.db2.gz PTPGBEDAEOYPAT-AWEZNQCLSA-N 2 0 322.497 2.232 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCCCn2cccn2)CC1 ZINC000171589410 402598640 /nfs/dbraw/zinc/59/86/40/402598640.db2.gz PQBVMSWBNJAQKS-KRWDZBQOSA-N 2 0 322.497 2.078 10 0 DEAERP CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248652329 402601512 /nfs/dbraw/zinc/60/15/12/402601512.db2.gz NSSZJYTYKRQZCS-XYJFISCASA-N 2 0 312.498 2.407 10 0 DEAERP C[C@H](CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCCCC1 ZINC000182681336 402708015 /nfs/dbraw/zinc/70/80/15/402708015.db2.gz RDXCYYCSBKBFBL-BRWVUGGUSA-N 2 0 322.497 2.129 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccco2)N(C)C)CC[N@@H+]1C ZINC000173355398 402694031 /nfs/dbraw/zinc/69/40/31/402694031.db2.gz BWXKWESOHQCYLS-KFWWJZLASA-N 2 0 322.453 2.006 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174173049 402730071 /nfs/dbraw/zinc/73/00/71/402730071.db2.gz KBXXQQSCSUMIOK-IAGOWNOFSA-N 2 0 324.513 2.090 10 0 DEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174745669 402755038 /nfs/dbraw/zinc/75/50/38/402755038.db2.gz HCIVTRSFWWNORE-IXDOHACOSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192893104 402755443 /nfs/dbraw/zinc/75/54/43/402755443.db2.gz IUVVEARASCPDTC-QRQLOZEOSA-N 2 0 318.461 2.292 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193696419 402775467 /nfs/dbraw/zinc/77/54/67/402775467.db2.gz HMESNEZEBNXQPE-OAHLLOKOSA-N 2 0 322.497 2.034 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146276 402785748 /nfs/dbraw/zinc/78/57/48/402785748.db2.gz LSVYGVXAGGDCAF-IXDOHACOSA-N 2 0 324.513 2.138 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)C12CCOCC2 ZINC000186250358 286280510 /nfs/dbraw/zinc/28/05/10/286280510.db2.gz IMNYRAPXLLMVQG-IAGOWNOFSA-N 2 0 310.482 2.426 10 0 DEAERP C[C@H]1C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)CN1Cc1ccccc1 ZINC000303491656 403755345 /nfs/dbraw/zinc/75/53/45/403755345.db2.gz ZUCUZIRIKWIBPH-IWCVFHTOSA-N 2 0 315.461 2.283 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000309692982 403961678 /nfs/dbraw/zinc/96/16/78/403961678.db2.gz DJTIEQWJMRGRBX-SJORKVTESA-N 2 0 317.477 2.403 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C12CCOCC2 ZINC000249060717 286398705 /nfs/dbraw/zinc/39/87/05/286398705.db2.gz YLJMOLBRIIAEDN-WCXIOVBPSA-N 2 0 310.482 2.281 10 0 DEAERP COC(C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000377330171 404836792 /nfs/dbraw/zinc/83/67/92/404836792.db2.gz LPTWOIWIJXFRFH-IRXDYDNUSA-N 2 0 304.434 2.059 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390717211 405047458 /nfs/dbraw/zinc/04/74/58/405047458.db2.gz CWVWWSXGUPKUIG-ZWKOTPCHSA-N 2 0 315.461 2.157 10 0 DEAERP c1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378957 405338574 /nfs/dbraw/zinc/33/85/74/405338574.db2.gz UURKKIMUMUCYKZ-JKSUJKDBSA-N 2 0 302.466 2.398 10 0 DEAERP O[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000493945596 405615115 /nfs/dbraw/zinc/61/51/15/405615115.db2.gz SCUOUKZKJVHYDR-JLAWEPINSA-N 2 0 318.461 2.171 10 0 DEAERP C[C@@H](C[NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852007 405715269 /nfs/dbraw/zinc/71/52/69/405715269.db2.gz SPYIDBHGXNHMKB-RDJZCZTQSA-N 2 0 303.450 2.142 10 0 DEAERP CC[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851754 405715803 /nfs/dbraw/zinc/71/58/03/405715803.db2.gz RQKZHHQPHNPRRN-IRXDYDNUSA-N 2 0 303.450 2.285 10 0 DEAERP c1ccc([C@H]2C[C@@H]([NH2+]C3COCCOC3)CCN2C2CC2)cc1 ZINC000639201805 405968036 /nfs/dbraw/zinc/96/80/36/405968036.db2.gz MVJFAYVFKQCPML-QFBILLFUSA-N 2 0 316.445 2.360 10 0 DEAERP Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]C3CC[NH2+]CC3)[C@H]21 ZINC000634997375 406390847 /nfs/dbraw/zinc/39/08/47/406390847.db2.gz JTXBSQNFAKWGTE-NWANDNLSSA-N 2 0 307.235 2.429 10 0 DEAERP C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000129625591 196063316 /nfs/dbraw/zinc/06/33/16/196063316.db2.gz KBROYHBRBMXIIY-GTPINHCMSA-N 2 0 309.498 2.488 10 0 DEAERP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423011553 230315077 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10 0 DEAERP C[C@H]1CSC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397507071 269106761 /nfs/dbraw/zinc/10/67/61/269106761.db2.gz JTRXPFAQPCTNGG-RDJZCZTQSA-N 2 0 320.502 2.355 10 0 DEAERP C(C[NH+]1CCC[C@]2(CCOC2)C1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451910380 269141039 /nfs/dbraw/zinc/14/10/39/269141039.db2.gz NEIFBNGFIZBWDS-OALUTQOASA-N 2 0 322.493 2.382 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262041473 274372430 /nfs/dbraw/zinc/37/24/30/274372430.db2.gz BYHLWYRMMOBOMR-OIISXLGYSA-N 2 0 301.434 2.162 10 0 DEAERP c1ccc2c(c1)CC[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)C2 ZINC000415061967 275070041 /nfs/dbraw/zinc/07/00/41/275070041.db2.gz ZNDVHPAGIQKCPU-GPJFCIFZSA-N 2 0 313.489 2.350 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182236493 278394980 /nfs/dbraw/zinc/39/49/80/278394980.db2.gz UNMCMFIAHYSOFQ-MRXNPFEDSA-N 2 0 318.461 2.284 10 0 DEAERP C[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000261737740 279209517 /nfs/dbraw/zinc/20/95/17/279209517.db2.gz NQEHMCIDXFYYSS-MXSMSXNCSA-N 2 0 315.461 2.408 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262663484 279256975 /nfs/dbraw/zinc/25/69/75/279256975.db2.gz HLLCWGCGRHXGDV-ZACQAIPSSA-N 2 0 307.482 2.145 10 0 DEAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)C1 ZINC000249032407 534958418 /nfs/dbraw/zinc/95/84/18/534958418.db2.gz STNRJEWECLGBEN-BRWVUGGUSA-N 2 0 310.482 2.282 10 0 DEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262678356 535139035 /nfs/dbraw/zinc/13/90/35/535139035.db2.gz URCJTKWSGVGMJM-NCOADZHNSA-N 2 0 307.482 2.001 10 0 DEAERP CCCN(CCC)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193077356 535317493 /nfs/dbraw/zinc/31/74/93/535317493.db2.gz MXSCADIRELHCMJ-UHFFFAOYSA-N 2 0 309.498 2.443 10 0 DEAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CC[C@@H](C)[NH3+] ZINC000262781249 535527404 /nfs/dbraw/zinc/52/74/04/535527404.db2.gz LNJRKOGZAGTRTJ-MRXNPFEDSA-N 2 0 305.466 2.484 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H](C)C1 ZINC000246916477 535768667 /nfs/dbraw/zinc/76/86/67/535768667.db2.gz GMXJKLCXDIAOMF-YOEHRIQHSA-N 2 0 319.449 2.204 10 0 DEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190533888 536358387 /nfs/dbraw/zinc/35/83/87/536358387.db2.gz QHQVUJSGEBSKFQ-RBUKOAKNSA-N 2 0 323.525 2.030 10 0 DEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178877409 636471143 /nfs/dbraw/zinc/47/11/43/636471143.db2.gz OAKWUKQOIVPLQE-WMLDXEAASA-N 2 0 318.465 2.140 10 0 DEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000168773153 646597726 /nfs/dbraw/zinc/59/77/26/646597726.db2.gz HTJFYUMOCGEYRD-CZUORRHYSA-N 2 0 307.438 2.329 10 0 DEAERP CC(C)OC[C@@H](O)C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000381767836 685401804 /nfs/dbraw/zinc/40/18/04/685401804.db2.gz PDPDPRQRNMROIQ-OALUTQOASA-N 2 0 320.477 2.274 10 0 DEAERP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382771006 685405360 /nfs/dbraw/zinc/40/53/60/685405360.db2.gz LISGYUNEHTWNJW-QRQLOZEOSA-N 2 0 301.478 2.296 10 0 DEAERP COC[C@@H](C)C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187820320 684344021 /nfs/dbraw/zinc/34/40/21/684344021.db2.gz GSJLWRLAUWOOJB-LPHOPBHVSA-N 2 0 320.477 2.304 10 0 DEAERP O[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638699 792982693 /nfs/dbraw/zinc/98/26/93/792982693.db2.gz PUYHTDDGTYRZBK-VPAKFMSCSA-N 2 0 300.446 2.400 10 0 DEAERP C[NH+]1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(C[NH3+])cc1)C2 ZINC000262300761 1078798557 /nfs/dbraw/zinc/79/85/57/1078798557.db2.gz ONBBJDNRYNAPKZ-HOTGVXAUSA-N 2 0 302.422 2.282 10 0 DEAERP [NH3+]C[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000720843585 1086289506 /nfs/dbraw/zinc/28/95/06/1086289506.db2.gz IPKRCLOVFDJUBC-IUCAKERBSA-N 2 0 308.266 2.024 10 0 DEAERP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710914540 1086690503 /nfs/dbraw/zinc/69/05/03/1086690503.db2.gz PPEUGODTVKWANR-AWEZNQCLSA-N 2 0 311.470 2.175 10 0 DEAERP CC[NH+]1CCC(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000710975189 1086692343 /nfs/dbraw/zinc/69/23/43/1086692343.db2.gz XUEARRXZEOOXME-UHFFFAOYSA-N 2 0 311.470 2.175 10 0 DEAERP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000087526073 185227752 /nfs/dbraw/zinc/22/77/52/185227752.db2.gz OHNQCSNGUGXRMX-OAHLLOKOSA-N 2 0 309.479 2.013 10 0 DEAERP [NH3+]Cc1ccc([C@@H](O)C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000088417858 185249211 /nfs/dbraw/zinc/24/92/11/185249211.db2.gz SZGVYGZTCOFUFB-AWEZNQCLSA-N 2 0 302.340 2.453 10 0 DEAERP CC(C)[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000333943873 282992646 /nfs/dbraw/zinc/99/26/46/282992646.db2.gz RLOGGRRMQXPBFL-DLBZAZTESA-N 2 0 324.513 2.184 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000066243139 354705912 /nfs/dbraw/zinc/70/59/12/354705912.db2.gz XPMBXCLYGCPGCJ-OAHLLOKOSA-N 2 0 300.450 2.500 10 0 DEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000262417610 291037692 /nfs/dbraw/zinc/03/76/92/291037692.db2.gz QAZRTBKCMOFIAN-BZSNNMDCSA-N 2 0 321.509 2.489 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000132415248 283059584 /nfs/dbraw/zinc/05/95/84/283059584.db2.gz KMWDQEHRGAQEDT-YESZJQIVSA-N 2 0 324.513 2.088 10 0 DEAERP CC(C)[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390959614 540136116 /nfs/dbraw/zinc/13/61/16/540136116.db2.gz XXXCNMHLPFWVLU-AYHJJNSGSA-N 2 0 315.461 2.296 10 0 DEAERP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179152422 356015879 /nfs/dbraw/zinc/01/58/79/356015879.db2.gz VGZVNMNPEHEAOQ-IAGOWNOFSA-N 2 0 318.465 2.071 10 0 DEAERP C[NH+](C)CC1CC[NH+](C[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000080797249 192191526 /nfs/dbraw/zinc/19/15/26/192191526.db2.gz UBKHNVBXAQXEQO-MRXNPFEDSA-N 2 0 305.491 2.330 10 0 DEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236862831 202042273 /nfs/dbraw/zinc/04/22/73/202042273.db2.gz QQPKEOXROAHWCD-OLZOCXBDSA-N 2 0 323.403 2.237 10 0 DEAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000579825274 357036146 /nfs/dbraw/zinc/03/61/46/357036146.db2.gz UGWJFGXFWRMWFW-OMWUSAIZSA-N 2 0 324.428 2.113 10 0 DEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000591457673 357726069 /nfs/dbraw/zinc/72/60/69/357726069.db2.gz FRGYBTYSZYZVTI-DLBZAZTESA-N 2 0 307.482 2.053 10 0 DEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cc(Br)cs1 ZINC000091313914 193038334 /nfs/dbraw/zinc/03/83/34/193038334.db2.gz UATRXDXSHOLMKU-LLVKDONJSA-N 2 0 319.268 2.321 10 0 DEAERP Nc1[nH+]c2cccc(Cl)c2n1C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091675121 193089350 /nfs/dbraw/zinc/08/93/50/193089350.db2.gz HQVBRXYZCCSKQJ-GHMZBOCLSA-N 2 0 306.797 2.135 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000629572541 367256792 /nfs/dbraw/zinc/25/67/92/367256792.db2.gz WMEGHUMVFZGNNK-UHFFFAOYSA-N 2 0 315.255 2.425 10 0 DEAERP CCC[NH2+][C@@H]1[C@@H](C[NH+](CCOC)CCOC)CCC1(C)C ZINC000094317839 193359551 /nfs/dbraw/zinc/35/95/51/193359551.db2.gz OPJAWUBZGSMBQD-HZPDHXFCSA-N 2 0 300.487 2.386 10 0 DEAERP CC(C)[NH2+]Cc1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000094443432 193369338 /nfs/dbraw/zinc/36/93/38/193369338.db2.gz UNTZVTVEXAVFCD-OAHLLOKOSA-N 2 0 308.495 2.311 10 0 DEAERP [NH3+]C[C@H](c1cccc(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457556 193371831 /nfs/dbraw/zinc/37/18/31/193371831.db2.gz FWMFXYVJHURSTJ-HUUCEWRRSA-N 2 0 324.266 2.229 10 0 DEAERP [NH3+]C[C@@H](c1ccccc1Br)N1CC[NH+](C2CC2)CC1 ZINC000048991829 183701054 /nfs/dbraw/zinc/70/10/54/183701054.db2.gz UMNPWNINOSLDQU-HNNXBMFYSA-N 2 0 324.266 2.229 10 0 DEAERP C[NH+](C)[C@H]1CCN(c2nc(-c3ccccc3)c(C[NH3+])s2)C1 ZINC000110275428 194318734 /nfs/dbraw/zinc/31/87/34/194318734.db2.gz ZUODZXHEGCVHJT-ZDUSSCGKSA-N 2 0 302.447 2.409 10 0 DEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000061643114 184180100 /nfs/dbraw/zinc/18/01/00/184180100.db2.gz RCCZCEFTEJIROP-MNOVXSKESA-N 2 0 316.243 2.068 10 0 DEAERP CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCC[NH2+]C1 ZINC000062859197 184257260 /nfs/dbraw/zinc/25/72/60/184257260.db2.gz JNTFJMYSJMHHGQ-CZUORRHYSA-N 2 0 309.479 2.247 10 0 DEAERP Cc1cc(N2CC[NH+](CC(C)C)CC2)c(C(N)=S)c(C)[nH+]1 ZINC000156672693 197132334 /nfs/dbraw/zinc/13/23/34/197132334.db2.gz XGEZEFYRGSKCSV-UHFFFAOYSA-N 2 0 306.479 2.111 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107838133 285229853 /nfs/dbraw/zinc/22/98/53/285229853.db2.gz IOGDMYSUGLURDD-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP [NH3+]Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000178824243 144866323 /nfs/dbraw/zinc/86/63/23/144866323.db2.gz YMLSBAPANXWXSO-MRXNPFEDSA-N 2 0 301.434 2.093 10 0 DEAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccs2)[C@@H](C)C1 ZINC000246292091 145097418 /nfs/dbraw/zinc/09/74/18/145097418.db2.gz CJLKGSWBWAUASG-UONOGXRCSA-N 2 0 309.479 2.188 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246393435 145101203 /nfs/dbraw/zinc/10/12/03/145101203.db2.gz WAIIIIMADSEUJS-RDJZCZTQSA-N 2 0 305.466 2.006 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246574384 145107135 /nfs/dbraw/zinc/10/71/35/145107135.db2.gz ZMLZDGBEWVUJJX-BBWFWOEESA-N 2 0 322.497 2.127 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000246734541 145112462 /nfs/dbraw/zinc/11/24/62/145112462.db2.gz ARVFPCKMENNHTQ-JKSUJKDBSA-N 2 0 324.513 2.279 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261646508 145212993 /nfs/dbraw/zinc/21/29/93/145212993.db2.gz JHIYHPZRPRLDAC-UAGQMJEPSA-N 2 0 307.482 2.288 10 0 DEAERP Cn1c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2sc1=O ZINC000261642457 145213169 /nfs/dbraw/zinc/21/31/69/145213169.db2.gz AKSLMIVUHWDFQP-IHRRRGAJSA-N 2 0 317.458 2.159 10 0 DEAERP CNC(=O)c1cccc(CN(CC[NH3+])CCc2ccccc2)c1 ZINC000261659142 145214137 /nfs/dbraw/zinc/21/41/37/145214137.db2.gz AVRKEOLVAGHPEO-UHFFFAOYSA-N 2 0 311.429 2.050 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000261812354 145229308 /nfs/dbraw/zinc/22/93/08/145229308.db2.gz RXWMKVARIUPDDI-NRSFXHEJSA-N 2 0 315.461 2.141 10 0 DEAERP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261884036 145237713 /nfs/dbraw/zinc/23/77/13/145237713.db2.gz RMBPNZRELVVZHX-YJBOKZPZSA-N 2 0 304.434 2.297 10 0 DEAERP COc1ccc(C[N@@H+]2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261893523 145238307 /nfs/dbraw/zinc/23/83/07/145238307.db2.gz UHZNTVKMBHUUKM-IBGZPJMESA-N 2 0 317.477 2.203 10 0 DEAERP C[C@]1(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)CC[NH2+]C1 ZINC000261925481 145242594 /nfs/dbraw/zinc/24/25/94/145242594.db2.gz CBKFKIOWRZOELP-SFHVURJKSA-N 2 0 311.433 2.231 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C12CCCC2 ZINC000262017818 145253837 /nfs/dbraw/zinc/25/38/37/145253837.db2.gz WIILEQGQYQIVBS-FLXSYLCISA-N 2 0 322.493 2.471 10 0 DEAERP C[C@@]1(CN2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000262023755 145253992 /nfs/dbraw/zinc/25/39/92/145253992.db2.gz NKNZFXWQSHDUQF-QGZVFWFLSA-N 2 0 307.869 2.457 10 0 DEAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263224051 145337827 /nfs/dbraw/zinc/33/78/27/145337827.db2.gz MLUAUFSLIZPJHC-WFASDCNBSA-N 2 0 306.406 2.224 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000358668229 147177461 /nfs/dbraw/zinc/17/74/61/147177461.db2.gz QEDZHMADZBYGAP-UHFFFAOYSA-N 2 0 322.497 2.250 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128322882 401771540 /nfs/dbraw/zinc/77/15/40/401771540.db2.gz VANRCMDQGHKDBD-IAGOWNOFSA-N 2 0 324.513 2.090 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000113600765 401783074 /nfs/dbraw/zinc/78/30/74/401783074.db2.gz DCIRCPMFZXKLSU-HZPDHXFCSA-N 2 0 310.486 2.034 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116529131 401854451 /nfs/dbraw/zinc/85/44/51/401854451.db2.gz AZOBBVDGQVNCSY-CABCVRRESA-N 2 0 314.518 2.382 10 0 DEAERP COc1cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1F ZINC000153617591 402157279 /nfs/dbraw/zinc/15/72/79/402157279.db2.gz SCSPRLHDLQGAHO-ZIAGYGMSSA-N 2 0 309.429 2.121 10 0 DEAERP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000124619721 402188601 /nfs/dbraw/zinc/18/86/01/402188601.db2.gz QKYZJSOREIPEPQ-ZWKOTPCHSA-N 3 0 322.541 2.009 10 0 DEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177473722 402406686 /nfs/dbraw/zinc/40/66/86/402406686.db2.gz RXNLWGIYTZKNME-RCCFBDPRSA-N 2 0 317.477 2.148 10 0 DEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177473763 402406863 /nfs/dbraw/zinc/40/68/63/402406863.db2.gz RXNLWGIYTZKNME-KZNAEPCWSA-N 2 0 317.477 2.148 10 0 DEAERP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)C12CCOCC2 ZINC000186250378 402415057 /nfs/dbraw/zinc/41/50/57/402415057.db2.gz IMNYRAPXLLMVQG-SJORKVTESA-N 2 0 310.482 2.426 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCOCC2 ZINC000186253085 402415127 /nfs/dbraw/zinc/41/51/27/402415127.db2.gz BAYWDVPNWHKDEK-WCXIOVBPSA-N 2 0 308.466 2.177 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)c1c[nH+]ccc1N)c1ccccc1 ZINC000178004972 402451472 /nfs/dbraw/zinc/45/14/72/402451472.db2.gz AHIZYMRXUVDKQN-QGZVFWFLSA-N 2 0 312.417 2.477 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C(C)C ZINC000245430986 402459697 /nfs/dbraw/zinc/45/96/97/402459697.db2.gz NUWBNBZRKQGMCQ-IRXDYDNUSA-N 2 0 324.513 2.373 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000245653869 402477472 /nfs/dbraw/zinc/47/74/72/402477472.db2.gz CGLJNARMHAYYAQ-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245672418 402477974 /nfs/dbraw/zinc/47/79/74/402477974.db2.gz FMWRZEGANACEQU-DOTOQJQBSA-N 2 0 324.513 2.233 10 0 DEAERP COC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000187602225 402506305 /nfs/dbraw/zinc/50/63/05/402506305.db2.gz RNMYYINEJHCFAC-OAHLLOKOSA-N 2 0 306.450 2.015 10 0 DEAERP C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000179142052 402575991 /nfs/dbraw/zinc/57/59/91/402575991.db2.gz FQLSCUOBNHXNLE-GOSISDBHSA-N 2 0 315.461 2.252 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000248485749 402593180 /nfs/dbraw/zinc/59/31/80/402593180.db2.gz KVMUYEMLWNNDNG-BRWVUGGUSA-N 2 0 324.513 2.279 10 0 DEAERP Cc1cnc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000182606416 402703434 /nfs/dbraw/zinc/70/34/34/402703434.db2.gz IVSVORREXASOKT-XYPWUTKMSA-N 2 0 320.506 2.194 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261646506 402715457 /nfs/dbraw/zinc/71/54/57/402715457.db2.gz JHIYHPZRPRLDAC-OIISXLGYSA-N 2 0 307.482 2.288 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)C ZINC000174355731 402738022 /nfs/dbraw/zinc/73/80/22/402738022.db2.gz QRDDOBDFKZVKCV-KRWDZBQOSA-N 2 0 322.497 2.151 10 0 DEAERP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000175451413 402807657 /nfs/dbraw/zinc/80/76/57/402807657.db2.gz RACLDHNHSHUKFJ-KRWDZBQOSA-N 2 0 324.513 2.138 10 0 DEAERP CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000194740267 402813829 /nfs/dbraw/zinc/81/38/29/402813829.db2.gz UJJVTDYUPSEONL-MSOLQXFVSA-N 2 0 317.477 2.355 10 0 DEAERP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ncn2)C1 ZINC000333576932 403784046 /nfs/dbraw/zinc/78/40/46/403784046.db2.gz SUWFPVDGEMJAQA-FXUDXRNXSA-N 2 0 315.465 2.277 10 0 DEAERP [NH3+]CC1(CC(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)CCCCC1 ZINC000333616165 403792521 /nfs/dbraw/zinc/79/25/21/403792521.db2.gz RDBUPHOAYGZNHQ-HOTGVXAUSA-N 2 0 307.482 2.276 10 0 DEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000328646207 404122194 /nfs/dbraw/zinc/12/21/94/404122194.db2.gz SNGDKAOIGPQJKI-MRXNPFEDSA-N 2 0 315.417 2.121 10 0 DEAERP CC[N@H+](CCNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1)C1CC1 ZINC000369821571 404238969 /nfs/dbraw/zinc/23/89/69/404238969.db2.gz ZKNMRIGGCMAAEO-CYBMUJFWSA-N 2 0 318.465 2.239 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000358193195 404755624 /nfs/dbraw/zinc/75/56/24/404755624.db2.gz QGZFCSLOBFLNNK-MRXNPFEDSA-N 2 0 324.513 2.304 10 0 DEAERP COC(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)OC ZINC000377330170 404836211 /nfs/dbraw/zinc/83/62/11/404836211.db2.gz LPTWOIWIJXFRFH-IAGOWNOFSA-N 2 0 304.434 2.059 10 0 DEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000360894941 404847565 /nfs/dbraw/zinc/84/75/65/404847565.db2.gz SMYZCRXBFLYKHZ-KRWDZBQOSA-N 2 0 321.440 2.248 10 0 DEAERP C[N@H+](CCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)Cc1ccccc1 ZINC000634763943 406271247 /nfs/dbraw/zinc/27/12/47/406271247.db2.gz HPPGYRQTQUDOAR-HKUYNNGSSA-N 2 0 315.461 2.014 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771363 406275990 /nfs/dbraw/zinc/27/59/90/406275990.db2.gz SBHOOJAXOVEXHX-IEZWGBDMSA-N 2 0 315.461 2.013 10 0 DEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634949063 406365025 /nfs/dbraw/zinc/36/50/25/406365025.db2.gz GMFHGJLQLBCMGU-CABCVRRESA-N 2 0 304.500 2.054 10 0 DEAERP C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000643489436 407006640 /nfs/dbraw/zinc/00/66/40/407006640.db2.gz JIXRTRBCHYJMCS-NEPJUHHUSA-N 2 0 315.259 2.013 10 0 DEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CCC([NH3+])CC1 ZINC000381483887 424908346 /nfs/dbraw/zinc/90/83/46/424908346.db2.gz GRIWXQHUPGUOCF-UHFFFAOYSA-N 2 0 303.450 2.094 10 0 DEAERP [NH3+]C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000303090359 424892646 /nfs/dbraw/zinc/89/26/46/424892646.db2.gz SJPLRLVRIISRBV-DAWZGUTISA-N 2 0 315.461 2.285 10 0 DEAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(I)c1 ZINC000575439111 424946765 /nfs/dbraw/zinc/94/67/65/424946765.db2.gz PXJJNEDGMALIJB-NSHDSACASA-N 2 0 304.175 2.420 10 0 DEAERP [NH3+]C1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000333894398 269001582 /nfs/dbraw/zinc/00/15/82/269001582.db2.gz YTKZLBXGKQBKFW-MRXNPFEDSA-N 2 0 322.497 2.308 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000398025343 269108184 /nfs/dbraw/zinc/10/81/84/269108184.db2.gz LSOILXROHBVISU-QRQLOZEOSA-N 2 0 301.478 2.486 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C12CCOCC2 ZINC000186240057 276345183 /nfs/dbraw/zinc/34/51/83/276345183.db2.gz CGDHDSJRLWFMGH-USXIJHARSA-N 2 0 308.466 2.035 10 0 DEAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367125291 277151458 /nfs/dbraw/zinc/15/14/58/277151458.db2.gz DLPSQPQGQAEKER-DOTOQJQBSA-N 2 0 324.509 2.407 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358183882 281056237 /nfs/dbraw/zinc/05/62/37/281056237.db2.gz FVKGCUXBBPCCAM-KRWDZBQOSA-N 2 0 322.497 2.202 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000113231446 288305051 /nfs/dbraw/zinc/30/50/51/288305051.db2.gz STNDPNAHEWOQOP-RHSMWYFYSA-N 2 0 301.434 2.057 10 0 DEAERP COc1cc2c(cc1OC)CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262064384 295039547 /nfs/dbraw/zinc/03/95/47/295039547.db2.gz RKOVUWFLAYFXFY-SFHVURJKSA-N 2 0 304.434 2.104 10 0 DEAERP [NH3+]C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000238010500 295241098 /nfs/dbraw/zinc/24/10/98/295241098.db2.gz WFNLHQJVSGKWMS-GOSISDBHSA-N 2 0 315.461 2.063 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000247564893 297098627 /nfs/dbraw/zinc/09/86/27/297098627.db2.gz VKDIEMZWQDBXAL-PMPSAXMXSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000261813564 300306590 /nfs/dbraw/zinc/30/65/90/300306590.db2.gz ADYYEFNOUBLPQZ-JKSUJKDBSA-N 2 0 307.482 2.371 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccsc1Br ZINC000388525159 333320933 /nfs/dbraw/zinc/32/09/33/333320933.db2.gz DKSMRANONHZCPQ-SNVBAGLBSA-N 2 0 307.257 2.354 10 0 DEAERP Cn1c2ccc(C[NH2+]CCC3CC[NH+](C)CC3)cc2sc1=O ZINC000192551378 341874970 /nfs/dbraw/zinc/87/49/70/341874970.db2.gz FDIRLZGWTPBDLV-UHFFFAOYSA-N 2 0 319.474 2.422 10 0 DEAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC000441185229 528095018 /nfs/dbraw/zinc/09/50/18/528095018.db2.gz SLKLEKILQZZLEG-MRXNPFEDSA-N 2 0 309.498 2.441 10 0 DEAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261814605 535761401 /nfs/dbraw/zinc/76/14/01/535761401.db2.gz HPVDOSXLMRWVOL-CVEARBPZSA-N 2 0 303.450 2.265 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381828621 685402253 /nfs/dbraw/zinc/40/22/53/685402253.db2.gz IAUHGNLFVNYKAL-YTQUADARSA-N 2 0 320.477 2.273 10 0 DEAERP C[NH+](C)CCCC(C)(C)[NH2+]Cc1nc(Br)c[nH]1 ZINC000387267451 685421732 /nfs/dbraw/zinc/42/17/32/685421732.db2.gz CWTNJIXGHZSTLY-UHFFFAOYSA-N 2 0 303.248 2.382 10 0 DEAERP OC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716653600 792983933 /nfs/dbraw/zinc/98/39/33/792983933.db2.gz ZBUJPMXVOVESPY-OYSTVDSJSA-N 2 0 300.446 2.400 10 0 DEAERP C[C@]12CN(C[C@H]([NH3+])CC(F)F)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000720829930 1086187001 /nfs/dbraw/zinc/18/70/01/1086187001.db2.gz HPHASAKSHSHWOX-NUJGCVRESA-N 2 0 323.431 2.423 10 0 DEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710973726 1086692614 /nfs/dbraw/zinc/69/26/14/1086692614.db2.gz RCWUCLPZXPWSSQ-CQSZACIVSA-N 2 0 311.470 2.173 10 0 DEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2nc(C3CC3)ns2)CC1 ZINC000087639631 185229754 /nfs/dbraw/zinc/22/97/54/185229754.db2.gz QEXIBIKGYLXIAV-ZDUSSCGKSA-N 2 0 309.483 2.055 10 0 DEAERP CC(C)C[NH2+]Cc1nc(CN(C)C[C@@H]2CCC[N@@H+]2C)cs1 ZINC000092674604 185333062 /nfs/dbraw/zinc/33/30/62/185333062.db2.gz VPPLMBQKRJQLTR-HNNXBMFYSA-N 2 0 310.511 2.415 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCOCC2 ZINC000186259279 282270955 /nfs/dbraw/zinc/27/09/55/282270955.db2.gz YONRAJSWRINDRM-QZTJIDSGSA-N 2 0 322.493 2.425 10 0 DEAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181559852 539652039 /nfs/dbraw/zinc/65/20/39/539652039.db2.gz GTCWQACTXLKZPW-GVDBMIGSSA-N 2 0 312.498 2.263 10 0 DEAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245853579 539758983 /nfs/dbraw/zinc/75/89/83/539758983.db2.gz GTCWQACTXLKZPW-BRWVUGGUSA-N 2 0 312.498 2.263 10 0 DEAERP C[NH2+][C@@H](C[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)c(F)c1F ZINC000149554496 186050989 /nfs/dbraw/zinc/05/09/89/186050989.db2.gz LIIFYOHZVFKSHB-MFKMUULPSA-N 2 0 301.356 2.000 10 0 DEAERP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171471469 186165551 /nfs/dbraw/zinc/16/55/51/186165551.db2.gz GMBARYSWMSLSII-QZTJIDSGSA-N 2 0 315.461 2.376 10 0 DEAERP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000374812265 535161990 /nfs/dbraw/zinc/16/19/90/535161990.db2.gz ZJEOFTPKWMMSJU-WBVHZDCISA-N 2 0 310.482 2.017 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000073079176 191277335 /nfs/dbraw/zinc/27/73/35/191277335.db2.gz FHSGAUMNRMPCEX-KRWDZBQOSA-N 2 0 305.466 2.454 10 0 DEAERP C[C@H](CCNC(=O)[C@]1(C)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379644058 540122424 /nfs/dbraw/zinc/12/24/24/540122424.db2.gz BYFSVDKURZHYPM-QAPCUYQASA-N 2 0 303.450 2.155 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000121447628 355796007 /nfs/dbraw/zinc/79/60/07/355796007.db2.gz UOJHLTGIKRIYLI-AYBZRNKSSA-N 2 0 315.461 2.298 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000157746023 355957111 /nfs/dbraw/zinc/95/71/11/355957111.db2.gz ZQOVGWPSHFFRLU-MRXNPFEDSA-N 2 0 324.513 2.140 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262666657 356343740 /nfs/dbraw/zinc/34/37/40/356343740.db2.gz KHDMYCQSUSUALX-HZMVEIRTSA-N 2 0 307.482 2.288 10 0 DEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1cc(Br)cs1 ZINC000091313916 193038023 /nfs/dbraw/zinc/03/80/23/193038023.db2.gz UATRXDXSHOLMKU-NSHDSACASA-N 2 0 319.268 2.321 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@]1(C)c1ccc(Cl)cc1Cl ZINC000093374765 193240614 /nfs/dbraw/zinc/24/06/14/193240614.db2.gz JSUBHGAZGMFIAG-CQSZACIVSA-N 2 0 315.248 2.401 10 0 DEAERP CC(C)(CN1CCC[NH2+][C@@H](C2CCCCC2)C1)S(C)(=O)=O ZINC000093525726 193264382 /nfs/dbraw/zinc/26/43/82/193264382.db2.gz YUZYTODBSDZKTC-OAHLLOKOSA-N 2 0 316.511 2.054 10 0 DEAERP CCC(CC)[N@H+](CCOC)[C@@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093857099 193319315 /nfs/dbraw/zinc/31/93/15/193319315.db2.gz FYKYRVWLFFKQFA-IAGOWNOFSA-N 2 0 300.487 2.405 10 0 DEAERP CCC[NH2+][C@H]1[C@H](C[NH+](CCOC)CCOC)CCC1(C)C ZINC000094317838 193359525 /nfs/dbraw/zinc/35/95/25/193359525.db2.gz OPJAWUBZGSMBQD-HOTGVXAUSA-N 2 0 300.487 2.386 10 0 DEAERP C[NH+](C)C1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])CC1 ZINC000094334128 193360001 /nfs/dbraw/zinc/36/00/01/193360001.db2.gz LFYAGEFSQNZGFS-UHFFFAOYSA-N 2 0 302.344 2.090 10 0 DEAERP CC[NH2+]C1CCC([N@H+](C)[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634027 193385673 /nfs/dbraw/zinc/38/56/73/193385673.db2.gz BISIZFYNLHQCPK-CKUJCDMFSA-N 2 0 316.511 2.195 10 0 DEAERP CC[NH2+][C@@H]1[C@H](C[N@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429309 193368286 /nfs/dbraw/zinc/36/82/86/193368286.db2.gz GZKJEUZPRHVULS-LSDHHAIUSA-N 2 0 300.487 2.261 10 0 DEAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000094755003 193395627 /nfs/dbraw/zinc/39/56/27/193395627.db2.gz WTYMGFBJQDMGOV-ZBFHGGJFSA-N 2 0 310.463 2.087 10 0 DEAERP COCC[N@H+](CC(C)C)C[C@@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052508722 183862773 /nfs/dbraw/zinc/86/27/73/183862773.db2.gz RBICELDSANXLMZ-IRXDYDNUSA-N 2 0 300.487 2.384 10 0 DEAERP C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CC[NH+](C)C ZINC000111130448 194393518 /nfs/dbraw/zinc/39/35/18/194393518.db2.gz FEYGCZUKQLZQRY-SKDRFNHKSA-N 2 0 320.300 2.392 10 0 DEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2cc(Br)cs2)C1 ZINC000062964180 184262813 /nfs/dbraw/zinc/26/28/13/184262813.db2.gz PCDAUCBCRIHTER-QWRGUYRKSA-N 2 0 318.284 2.146 10 0 DEAERP COc1ccc2ccccc2c1C[NH+]1CCN(CCC[NH3+])CC1 ZINC000066143070 184393094 /nfs/dbraw/zinc/39/30/94/184393094.db2.gz ITSFZXLRAAMILM-UHFFFAOYSA-N 2 0 313.445 2.315 10 0 DEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cc(F)cc(C(F)(F)F)c1 ZINC000159291753 197343207 /nfs/dbraw/zinc/34/32/07/197343207.db2.gz GODCDFXQOZAMDT-CYBMUJFWSA-N 2 0 307.335 2.338 10 0 DEAERP C[C@@H](CC[NH+]1CCN(CC(F)(F)F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000156287469 197101618 /nfs/dbraw/zinc/10/16/18/197101618.db2.gz WQPWHDCTGFLBMO-UONOGXRCSA-N 2 0 307.404 2.192 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000121916487 195374295 /nfs/dbraw/zinc/37/42/95/195374295.db2.gz DNOYQRIHJQGTBX-UHFFFAOYSA-N 2 0 324.513 2.138 10 0 DEAERP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249882114 145191551 /nfs/dbraw/zinc/19/15/51/145191551.db2.gz NTSGHNSMKFFUIM-CVEARBPZSA-N 2 0 318.465 2.429 10 0 DEAERP C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544243 145206560 /nfs/dbraw/zinc/20/65/60/145206560.db2.gz ISAQTBREBDLJFL-JFRXWTBNSA-N 2 0 301.478 2.485 10 0 DEAERP C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261638751 145212394 /nfs/dbraw/zinc/21/23/94/145212394.db2.gz DIPSHJOKKNFVSN-IUODEOHRSA-N 2 0 323.868 2.404 10 0 DEAERP Cn1c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2sc1=O ZINC000261642465 145213094 /nfs/dbraw/zinc/21/30/94/145213094.db2.gz AKSLMIVUHWDFQP-MJBXVCDLSA-N 2 0 317.458 2.159 10 0 DEAERP C[C@]1(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC[NH2+]C1 ZINC000261719966 145219670 /nfs/dbraw/zinc/21/96/70/145219670.db2.gz FSLUKQNFMLFICV-SFHVURJKSA-N 2 0 302.466 2.398 10 0 DEAERP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000261810532 145228658 /nfs/dbraw/zinc/22/86/58/145228658.db2.gz MPSVRRMYQLRMGP-QTXGHNMQSA-N 2 0 315.461 2.248 10 0 DEAERP Cc1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261936067 145244165 /nfs/dbraw/zinc/24/41/65/145244165.db2.gz KHXVTVVXQSKOOE-QGZVFWFLSA-N 2 0 301.434 2.398 10 0 DEAERP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C[C@]1(C)CC[NH2+]C1 ZINC000262093901 145260334 /nfs/dbraw/zinc/26/03/34/145260334.db2.gz UZWLPHOZBIFHKC-OKZBNKHCSA-N 2 0 302.466 2.006 10 0 DEAERP Clc1cccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000262530545 145290728 /nfs/dbraw/zinc/29/07/28/145290728.db2.gz PMSVEHWEKXCGAY-STQMWFEESA-N 2 0 318.808 2.431 10 0 DEAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262952149 145313725 /nfs/dbraw/zinc/31/37/25/145313725.db2.gz JSRGJHIZPPXWHR-JZXOWHBKSA-N 2 0 307.482 2.275 10 0 DEAERP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)nc1 ZINC000262146675 292158359 /nfs/dbraw/zinc/15/83/59/292158359.db2.gz ZPBUTRLPPVOUSN-MAUKXSAKSA-N 2 0 316.449 2.040 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000358642151 147171812 /nfs/dbraw/zinc/17/18/12/147171812.db2.gz AFGWEYMGBAUKFJ-QGZVFWFLSA-N 2 0 322.497 2.202 10 0 DEAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000359386936 147318677 /nfs/dbraw/zinc/31/86/77/147318677.db2.gz DCPWKERZAYJGLG-QRQLOZEOSA-N 2 0 318.461 2.292 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111884275 401727140 /nfs/dbraw/zinc/72/71/40/401727140.db2.gz ZLTNIQVQIRQYJB-QGZVFWFLSA-N 2 0 322.497 2.131 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963857 401912060 /nfs/dbraw/zinc/91/20/60/401912060.db2.gz KVDXTYGRDXRPQL-OALUTQOASA-N 2 0 320.477 2.228 10 0 DEAERP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C[NH+](C)C ZINC000085362330 401914492 /nfs/dbraw/zinc/91/44/92/401914492.db2.gz CSJLHTPQEUGUCW-WZYMTQMTSA-N 2 0 324.513 2.277 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119674770 401962829 /nfs/dbraw/zinc/96/28/29/401962829.db2.gz VWIFHMUHEDWBTC-JCYILVPMSA-N 2 0 324.513 2.280 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048215929 401995918 /nfs/dbraw/zinc/99/59/18/401995918.db2.gz RRFYQRNKAXHZHU-RDJZCZTQSA-N 2 0 320.481 2.319 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000152376393 402093497 /nfs/dbraw/zinc/09/34/97/402093497.db2.gz MLXLHIULEVAHSO-MRXNPFEDSA-N 2 0 312.502 2.088 10 0 DEAERP COC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000124742964 402194840 /nfs/dbraw/zinc/19/48/40/402194840.db2.gz XQUXCGMLTKTZGV-KRWDZBQOSA-N 2 0 311.514 2.197 10 0 DEAERP CCC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000161656365 402394894 /nfs/dbraw/zinc/39/48/94/402394894.db2.gz ZCRMNSOYJNGMRQ-INIZCTEOSA-N 2 0 307.438 2.296 10 0 DEAERP c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161624542 402393468 /nfs/dbraw/zinc/39/34/68/402393468.db2.gz LXBSKBOZEKNDTA-IAGOWNOFSA-N 2 0 300.450 2.267 10 0 DEAERP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000163609757 402454137 /nfs/dbraw/zinc/45/41/37/402454137.db2.gz KGHLFCGBWPNHTO-IKGGRYGDSA-N 2 0 307.482 2.289 10 0 DEAERP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC000178307549 402482953 /nfs/dbraw/zinc/48/29/53/402482953.db2.gz AQEFLDZTFSEZHM-MRXNPFEDSA-N 2 0 306.454 2.301 10 0 DEAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NCC1CCCCC1 ZINC000178320128 402484487 /nfs/dbraw/zinc/48/44/87/402484487.db2.gz LNBGACUDIAYJIT-QGZVFWFLSA-N 2 0 318.465 2.352 10 0 DEAERP COC[C@@H](C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000187187557 402487207 /nfs/dbraw/zinc/48/72/07/402487207.db2.gz ZMPFZMMNXLHLHG-SFHVURJKSA-N 2 0 319.493 2.019 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000246199120 402517890 /nfs/dbraw/zinc/51/78/90/402517890.db2.gz MWZOKDYKCCHBGS-BRWVUGGUSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246280534 402522644 /nfs/dbraw/zinc/52/26/44/402522644.db2.gz NMMQCQSKSJCZDF-ZGRYLRDCSA-N 2 0 324.513 2.088 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CC(C)C ZINC000170828193 402530194 /nfs/dbraw/zinc/53/01/94/402530194.db2.gz IVFLQVHJXZOGOO-CVEARBPZSA-N 2 0 312.502 2.088 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246446861 402531346 /nfs/dbraw/zinc/53/13/46/402531346.db2.gz NZSHJEYFYRAWAC-CVEARBPZSA-N 2 0 312.502 2.090 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246483852 402533102 /nfs/dbraw/zinc/53/31/02/402533102.db2.gz RCPMTNIWTRFLRA-IKGGRYGDSA-N 2 0 324.513 2.090 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246483869 402533110 /nfs/dbraw/zinc/53/31/10/402533110.db2.gz RCPMTNIWTRFLRA-ULQDDVLXSA-N 2 0 324.513 2.090 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000246505778 402534091 /nfs/dbraw/zinc/53/40/91/402534091.db2.gz WUUHZXXCNAUQHC-BBWFWOEESA-N 2 0 322.497 2.129 10 0 DEAERP C[C@H]1C[N@@H+](C2CCN(Cc3cccc4nccn43)CC2)CCO1 ZINC000179784910 402600347 /nfs/dbraw/zinc/60/03/47/402600347.db2.gz PJRPPEQSAMUHRI-HNNXBMFYSA-N 2 0 314.433 2.019 10 0 DEAERP C[C@H](CCNC(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000182696082 402709395 /nfs/dbraw/zinc/70/93/95/402709395.db2.gz CYCHJTRWWKSWNK-MRXNPFEDSA-N 2 0 322.497 2.131 10 0 DEAERP C[N@H+](CCN1CC[C@H]([NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000173210460 402688173 /nfs/dbraw/zinc/68/81/73/402688173.db2.gz MZIYVGVJYZVTBS-SFHVURJKSA-N 2 0 305.441 2.428 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000174174117 402730027 /nfs/dbraw/zinc/73/00/27/402730027.db2.gz GYBVFXJIWMRNNF-ZACQAIPSSA-N 2 0 324.513 2.233 10 0 DEAERP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734678 402813902 /nfs/dbraw/zinc/81/39/02/402813902.db2.gz WFDJHANYVQUSOO-HZPDHXFCSA-N 2 0 309.498 2.488 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000175730256 402827268 /nfs/dbraw/zinc/82/72/68/402827268.db2.gz LGCGZIGLWMQBIB-CXAGYDPISA-N 2 0 315.465 2.439 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)[nH+]1 ZINC000195516127 402849651 /nfs/dbraw/zinc/84/96/51/402849651.db2.gz BULJMHSSRSHYBL-HNNXBMFYSA-N 2 0 316.449 2.183 10 0 DEAERP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ncn2)C1 ZINC000333576941 403783758 /nfs/dbraw/zinc/78/37/58/403783758.db2.gz SUWFPVDGEMJAQA-QXSJWSMHSA-N 2 0 315.465 2.277 10 0 DEAERP [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000333647546 403803392 /nfs/dbraw/zinc/80/33/92/403803392.db2.gz JHAFMDCCIBCCRP-HOCLYGCPSA-N 2 0 302.422 2.077 10 0 DEAERP C[NH+]1CCC(CC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000362923522 404004945 /nfs/dbraw/zinc/00/49/45/404004945.db2.gz SRARESRWRFGVFT-UHFFFAOYSA-N 2 0 307.482 2.195 10 0 DEAERP C(C[NH+]1CC[C@]2(C1)CCCOC2)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276777 404720514 /nfs/dbraw/zinc/72/05/14/404720514.db2.gz HOLSSGQZPVULED-OALUTQOASA-N 2 0 322.493 2.382 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000389875878 405041613 /nfs/dbraw/zinc/04/16/13/405041613.db2.gz LRGIZRPCXBEQSR-ATLSCFEFSA-N 2 0 315.461 2.011 10 0 DEAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000396316690 405057202 /nfs/dbraw/zinc/05/72/02/405057202.db2.gz DTZPQTQHCRXYJA-NXHRZFHOSA-N 2 0 315.461 2.237 10 0 DEAERP CN(C)c1ncc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)n1C ZINC000425333120 405274835 /nfs/dbraw/zinc/27/48/35/405274835.db2.gz FIDBDYSNKSCVQD-INIZCTEOSA-N 2 0 306.454 2.410 10 0 DEAERP c1cc(OCCN2CCOCC2)ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000639223483 405985523 /nfs/dbraw/zinc/98/55/23/405985523.db2.gz VPYDGKXCKSUAHF-IBGZPJMESA-N 2 0 316.445 2.382 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000635003148 406395429 /nfs/dbraw/zinc/39/54/29/406395429.db2.gz GPSUJFPVFLFZPV-UHOSZYNNSA-N 3 0 319.493 2.098 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000635005340 406396780 /nfs/dbraw/zinc/39/67/80/406396780.db2.gz UQLOOKUJQUIVMV-NEWSRXKRSA-N 2 0 301.478 2.486 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638286259 406672040 /nfs/dbraw/zinc/67/20/40/406672040.db2.gz OQTXERCMCJDUEL-MRXNPFEDSA-N 2 0 315.461 2.109 10 0 DEAERP c1[nH+]cn2cc(C[NH2+]C3CCN(Cc4ccccn4)CC3)ccc12 ZINC000297461782 227196242 /nfs/dbraw/zinc/19/62/42/227196242.db2.gz IDRFIXUPBWFBEP-UHFFFAOYSA-N 2 0 321.428 2.484 10 0 DEAERP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381724865 424908514 /nfs/dbraw/zinc/90/85/14/424908514.db2.gz JHQVAUBZUWWOEX-QZTJIDSGSA-N 2 0 315.461 2.157 10 0 DEAERP C[C@]1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000397496984 424920956 /nfs/dbraw/zinc/92/09/56/424920956.db2.gz FLMJKPRWKJXELA-LJQANCHMSA-N 2 0 315.461 2.157 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000398041132 424922494 /nfs/dbraw/zinc/92/24/94/424922494.db2.gz RXWMKVARIUPDDI-BGTYHANMSA-N 2 0 315.461 2.141 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404327772 424926436 /nfs/dbraw/zinc/92/64/36/424926436.db2.gz WWQUTZLZERHSQM-AEFFLSMTSA-N 2 0 317.477 2.484 10 0 DEAERP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423517387 275065641 /nfs/dbraw/zinc/06/56/41/275065641.db2.gz YHGKWEUQGJWULI-DQPZFDDXSA-N 2 0 303.450 2.463 10 0 DEAERP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000179338690 276038741 /nfs/dbraw/zinc/03/87/41/276038741.db2.gz XZKPBOPYTUYKHC-BRWVUGGUSA-N 2 0 303.450 2.278 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247388876 277385222 /nfs/dbraw/zinc/38/52/22/277385222.db2.gz QGJWYDZGUWQIKZ-DOTOQJQBSA-N 2 0 324.513 2.135 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000245878209 279123828 /nfs/dbraw/zinc/12/38/28/279123828.db2.gz AVANSJHXFFACOW-BRWVUGGUSA-N 2 0 324.513 2.088 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000074492930 279309471 /nfs/dbraw/zinc/30/94/71/279309471.db2.gz GESXQMZGPVEJSR-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245909001 280098248 /nfs/dbraw/zinc/09/82/48/280098248.db2.gz IRVXNKGVUTUXIO-IAGOWNOFSA-N 2 0 324.513 2.377 10 0 DEAERP CN(CC1CC[NH+](C)CC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125300037 281811065 /nfs/dbraw/zinc/81/10/65/281811065.db2.gz QMOBSLSLHLYHPC-UHFFFAOYSA-N 2 0 324.513 2.090 10 0 DEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000261666383 295271317 /nfs/dbraw/zinc/27/13/17/295271317.db2.gz FQFFWFSDQYILIJ-QZTJIDSGSA-N 2 0 321.509 2.476 10 0 DEAERP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000166324369 301795663 /nfs/dbraw/zinc/79/56/63/301795663.db2.gz BRHNFOUDQBQBRH-SQNIBIBYSA-N 2 0 315.461 2.376 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000246260756 521718187 /nfs/dbraw/zinc/71/81/87/521718187.db2.gz LASMEGGLEJSSBE-ZCRFILTFSA-N 2 0 307.482 2.096 10 0 DEAERP C[NH+](C)CCCCCCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105194316 524051792 /nfs/dbraw/zinc/05/17/92/524051792.db2.gz MELPZHQTGGRJED-QGZVFWFLSA-N 2 0 324.513 2.378 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000165865818 535351847 /nfs/dbraw/zinc/35/18/47/535351847.db2.gz NSPVZUABSQGRGM-WBVHZDCISA-N 2 0 309.498 2.250 10 0 DEAERP CCN(C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960258 535770612 /nfs/dbraw/zinc/77/06/12/535770612.db2.gz HFFQQPNZQBWVQC-UONOGXRCSA-N 2 0 307.404 2.192 10 0 DEAERP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000261975929 535913216 /nfs/dbraw/zinc/91/32/16/535913216.db2.gz QTPNLEBSELDOKI-KGLIPLIRSA-N 2 0 305.422 2.083 10 0 DEAERP C[C@H]([NH3+])CC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000261877577 636655780 /nfs/dbraw/zinc/65/57/80/636655780.db2.gz SMBOTDHHUAIQCL-YOEHRIQHSA-N 2 0 317.477 2.313 10 0 DEAERP C[C@@]1(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033352 637057929 /nfs/dbraw/zinc/05/79/29/637057929.db2.gz OGGWFLLRUZPKRC-MAUKXSAKSA-N 3 0 302.466 2.398 10 0 DEAERP C[S@](=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681749 793001882 /nfs/dbraw/zinc/00/18/82/793001882.db2.gz ZACDEFDZIVPLNM-SUWCGCSTSA-N 2 0 320.502 2.398 10 0 DEAERP CN(C)C(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734521 793004866 /nfs/dbraw/zinc/00/48/66/793004866.db2.gz WAYINSSAZODQAH-BZSNNMDCSA-N 2 0 315.461 2.107 10 0 DEAERP COC1CC([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000717971745 1081860712 /nfs/dbraw/zinc/86/07/12/1081860712.db2.gz BRZYIXKIQNXTOR-UHFFFAOYSA-N 2 0 318.461 2.171 10 0 DEAERP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000709478142 1086682729 /nfs/dbraw/zinc/68/27/29/1086682729.db2.gz MMXCVISXNMQWSX-SUMDDJOVSA-N 2 0 315.461 2.155 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000711344625 1087069686 /nfs/dbraw/zinc/06/96/86/1087069686.db2.gz JLASIKYYWMVSDW-DJIMGWMZSA-N 2 0 315.461 2.011 10 0 DEAERP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000720248964 1089538071 /nfs/dbraw/zinc/53/80/71/1089538071.db2.gz IOZUYDVVWCRCJM-KXUCPTDWSA-N 2 0 302.287 2.136 10 0 DEAERP CC[NH2+][C@@H](C)CCc1c(Br)cnn1CC[NH+](C)C ZINC000163095834 197611623 /nfs/dbraw/zinc/61/16/23/197611623.db2.gz ZGAUYDMUHWCBSJ-NSHDSACASA-N 2 0 317.275 2.138 10 0 DEAERP C[N@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)CCC(F)(F)F ZINC000088417572 185249143 /nfs/dbraw/zinc/24/91/43/185249143.db2.gz HDFVVMAWPCPDKB-UHFFFAOYSA-N 2 0 303.328 2.358 10 0 DEAERP CC[NH2+][C@H]1COC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000090495459 185299001 /nfs/dbraw/zinc/29/90/01/185299001.db2.gz UFGFISXXHRVWBB-KOLCDFICSA-N 2 0 319.268 2.225 10 0 DEAERP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc3cnccc32)CC1 ZINC000181524101 539651698 /nfs/dbraw/zinc/65/16/98/539651698.db2.gz MVNODXBTBYTGKQ-UHFFFAOYSA-N 2 0 312.461 2.352 10 0 DEAERP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc2c1OCO2 ZINC000188415146 539682517 /nfs/dbraw/zinc/68/25/17/539682517.db2.gz IRMPPCCTXDCQMQ-CQSZACIVSA-N 2 0 315.373 2.285 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309693230 539878406 /nfs/dbraw/zinc/87/84/06/539878406.db2.gz CITYAIDGDOODMW-IAGOWNOFSA-N 2 0 303.450 2.093 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777615 198383583 /nfs/dbraw/zinc/38/35/83/198383583.db2.gz QWFYDNYFEIEEFF-OCCSQVGLSA-N 2 0 324.856 2.336 10 0 DEAERP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]1 ZINC000262358971 291044477 /nfs/dbraw/zinc/04/44/77/291044477.db2.gz IIBWFXMSFBIATE-KKUMJFAQSA-N 2 0 321.490 2.389 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382727584 540123549 /nfs/dbraw/zinc/12/35/49/540123549.db2.gz WCJZPFPPVDQKOQ-WMZOPIPTSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000400474683 283157454 /nfs/dbraw/zinc/15/74/54/283157454.db2.gz ZHSWEZWMJXQQBZ-NBMJBFSESA-N 3 0 301.478 2.485 10 0 DEAERP C[N@H+](CCNC(=O)c1ccccc1CC[NH3+])Cc1ccccc1 ZINC000386792548 356699459 /nfs/dbraw/zinc/69/94/59/356699459.db2.gz OPFPGXISHVYEAS-UHFFFAOYSA-N 2 0 311.429 2.050 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000629570187 367256352 /nfs/dbraw/zinc/25/63/52/367256352.db2.gz ADDKZCIHJZIFHB-UHFFFAOYSA-N 2 0 319.218 2.256 10 0 DEAERP C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631837489 368414795 /nfs/dbraw/zinc/41/47/95/368414795.db2.gz BVRKVULLWIZVGA-VXGBXAGGSA-N 2 0 313.239 2.355 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC000262317489 203259632 /nfs/dbraw/zinc/25/96/32/203259632.db2.gz CFOJPVVKPJCDSW-KKUMJFAQSA-N 2 0 307.438 2.167 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000093374843 193241285 /nfs/dbraw/zinc/24/12/85/193241285.db2.gz YZPXCVTZXHDRGL-AWEZNQCLSA-N 2 0 315.248 2.401 10 0 DEAERP CCC[NH+]1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])CC1 ZINC000094334044 193360437 /nfs/dbraw/zinc/36/04/37/193360437.db2.gz DQRAWWHMTUVNRM-UHFFFAOYSA-N 2 0 302.344 2.091 10 0 DEAERP CC[NH2+][C@H](C)C1CC[NH+]([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634007 193385573 /nfs/dbraw/zinc/38/55/73/193385573.db2.gz JCOICSWSOXIHGO-KBMXLJTQSA-N 2 0 316.511 2.052 10 0 DEAERP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638894 193387708 /nfs/dbraw/zinc/38/77/08/193387708.db2.gz DRDWJAHEYCUTFR-HOTGVXAUSA-N 2 0 316.511 2.052 10 0 DEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(C[NH2+]C2CC2)s1 ZINC000094444155 193370014 /nfs/dbraw/zinc/37/00/14/193370014.db2.gz XMDTUACIBZLGAH-GXTWGEPZSA-N 2 0 306.479 2.458 10 0 DEAERP [NH3+]C[C@]1(N2CC[N@@H+]3CCC[C@@H]3C2)CCC[C@@H](C(F)(F)F)C1 ZINC000094459066 193371559 /nfs/dbraw/zinc/37/15/59/193371559.db2.gz LDWCGWUCOCNUJR-MCIONIFRSA-N 2 0 305.388 2.216 10 0 DEAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000094755002 193395748 /nfs/dbraw/zinc/39/57/48/193395748.db2.gz WTYMGFBJQDMGOV-HOCLYGCPSA-N 2 0 310.463 2.087 10 0 DEAERP c1ccc(OCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238420 284383118 /nfs/dbraw/zinc/38/31/18/284383118.db2.gz NKDKFXRUPVQEBM-SFHVURJKSA-N 2 0 304.434 2.156 10 0 DEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000022174359 182311839 /nfs/dbraw/zinc/31/18/39/182311839.db2.gz BNEYGNAXUNOYPE-NSHDSACASA-N 2 0 316.243 2.070 10 0 DEAERP CC[NH+]1CCC(N(C)c2nc3sccn3c2C[NH2+]C)CC1 ZINC000042681076 183296031 /nfs/dbraw/zinc/29/60/31/183296031.db2.gz SSKUJIOBNRYZRR-UHFFFAOYSA-N 2 0 307.467 2.036 10 0 DEAERP C[NH2+]Cc1c(N(CC[NH+](C)C)CC(C)C)nc2sccn12 ZINC000042777816 183307696 /nfs/dbraw/zinc/30/76/96/183307696.db2.gz GVGYZQZSBWCGSL-UHFFFAOYSA-N 2 0 309.483 2.139 10 0 DEAERP CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCCN(C(C)=O)CC1 ZINC000043248984 183347225 /nfs/dbraw/zinc/34/72/25/183347225.db2.gz FBBPWCASFJCEBX-LSDHHAIUSA-N 2 0 309.479 2.389 10 0 DEAERP C[C@@H]1CC(O)C[C@H](C)[NH+]1C/C=C\C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000429282908 296289879 /nfs/dbraw/zinc/28/98/79/296289879.db2.gz DVVAKBYCUZLMPB-DMWZWNPZSA-N 2 0 310.482 2.010 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185789841 284761265 /nfs/dbraw/zinc/76/12/65/284761265.db2.gz LMAUFQWDHSZEBW-HNNXBMFYSA-N 2 0 312.502 2.138 10 0 DEAERP C[N@@H+]1CCN(c2cc(Br)ccc2C[NH3+])CC1(C)C ZINC000110731141 194354812 /nfs/dbraw/zinc/35/48/12/194354812.db2.gz BFEHSDFUTHAAKZ-UHFFFAOYSA-N 2 0 312.255 2.438 10 0 DEAERP CC(C)[NH2+]Cc1c(N(C)CCC[NH+](C)C)nc2sccn12 ZINC000111140670 194394263 /nfs/dbraw/zinc/39/42/63/194394263.db2.gz YYRYRLYJDUFMOX-UHFFFAOYSA-N 2 0 309.483 2.282 10 0 DEAERP CC(C)C[NH2+]Cc1nc(CN2CCC[C@@H]2C[NH+](C)C)cs1 ZINC000061654691 184181150 /nfs/dbraw/zinc/18/11/50/184181150.db2.gz PJJJAKKXZSWGNI-OAHLLOKOSA-N 2 0 310.511 2.415 10 0 DEAERP CCC1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[NH2+]CC1 ZINC000062849710 184256718 /nfs/dbraw/zinc/25/67/18/184256718.db2.gz PGIDOCKOKHODTN-CYBMUJFWSA-N 2 0 309.479 2.247 10 0 DEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000062964765 184262748 /nfs/dbraw/zinc/26/27/48/184262748.db2.gz QEYNCNSBWDVHSF-KBPBESRZSA-N 2 0 301.356 2.341 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000158654924 197291280 /nfs/dbraw/zinc/29/12/80/197291280.db2.gz JGDPGWNKTFLUMW-OAHLLOKOSA-N 2 0 312.502 2.280 10 0 DEAERP C[C@H](CC[NH+]1CCN(c2nccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000156267550 197100454 /nfs/dbraw/zinc/10/04/54/197100454.db2.gz XHJDWESKVDXGID-CABCVRRESA-N 2 0 308.495 2.291 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000358185779 133126563 /nfs/dbraw/zinc/12/65/63/133126563.db2.gz IGLTWYDJXYYVPC-UHFFFAOYSA-N 2 0 322.497 2.247 10 0 DEAERP COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368585908 133279017 /nfs/dbraw/zinc/27/90/17/133279017.db2.gz UYVSGMCMXDWTEQ-BPQIPLTHSA-N 2 0 316.445 2.249 10 0 DEAERP Cn1c2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2nc1C1CC1 ZINC000188983855 145020600 /nfs/dbraw/zinc/02/06/00/145020600.db2.gz BLXZZKBUZBQKST-GXFFZTMASA-N 2 0 302.353 2.089 10 0 DEAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193632527 145088217 /nfs/dbraw/zinc/08/82/17/145088217.db2.gz YSLUHXVZAFZFLN-BETUJISGSA-N 2 0 307.825 2.162 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000247473650 145138688 /nfs/dbraw/zinc/13/86/88/145138688.db2.gz RWWUXDLBINNTJX-PBHICJAKSA-N 2 0 316.449 2.449 10 0 DEAERP OCC1([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000248409388 145153005 /nfs/dbraw/zinc/15/30/05/145153005.db2.gz FXDGVNFCNHEOSI-KZNAEPCWSA-N 2 0 300.446 2.402 10 0 DEAERP C[C@H](CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCCCC1 ZINC000248497323 145157466 /nfs/dbraw/zinc/15/74/66/145157466.db2.gz RDXCYYCSBKBFBL-ZACQAIPSSA-N 2 0 322.497 2.129 10 0 DEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834955 145231876 /nfs/dbraw/zinc/23/18/76/145231876.db2.gz ULJYLKLWMPPUOO-XOYOTBSWSA-N 2 0 315.461 2.313 10 0 DEAERP Cc1ccc(C(=O)NC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)s1 ZINC000262079548 145260004 /nfs/dbraw/zinc/26/00/04/145260004.db2.gz SWICPTSHEFBKHU-KRWDZBQOSA-N 2 0 321.490 2.250 10 0 DEAERP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1c1cccc(F)c1 ZINC000262091622 145260684 /nfs/dbraw/zinc/26/06/84/145260684.db2.gz LMKVFBRXSCSWHS-KSSFIOAISA-N 2 0 319.424 2.031 10 0 DEAERP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1c1cccc(F)c1 ZINC000262091620 145260874 /nfs/dbraw/zinc/26/08/74/145260874.db2.gz LMKVFBRXSCSWHS-KBXCAEBGSA-N 2 0 319.424 2.031 10 0 DEAERP Clc1cccc(-c2noc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000262530541 145290627 /nfs/dbraw/zinc/29/06/27/145290627.db2.gz PMSVEHWEKXCGAY-OLZOCXBDSA-N 2 0 318.808 2.431 10 0 DEAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263189832 145334270 /nfs/dbraw/zinc/33/42/70/145334270.db2.gz HSEPDZNCROWEGO-WNHJNPCNSA-N 2 0 318.461 2.280 10 0 DEAERP CC(C)[NH2+]C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074792826 401744332 /nfs/dbraw/zinc/74/43/32/401744332.db2.gz NGAARYWXTNTANK-ALOPSCKCSA-N 2 0 322.497 2.174 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116529136 401854347 /nfs/dbraw/zinc/85/43/47/401854347.db2.gz AZOBBVDGQVNCSY-HUUCEWRRSA-N 2 0 314.518 2.382 10 0 DEAERP C(CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)C[NH+]1CCCC1 ZINC000152293251 402087449 /nfs/dbraw/zinc/08/74/49/402087449.db2.gz FGASJPKLQBSNFB-OAHLLOKOSA-N 2 0 303.454 2.347 10 0 DEAERP CC[NH+](CC)CC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000058791228 402103142 /nfs/dbraw/zinc/10/31/42/402103142.db2.gz VYPSYUOIDINHPC-UHFFFAOYSA-N 2 0 318.465 2.109 10 0 DEAERP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000123246585 402117459 /nfs/dbraw/zinc/11/74/59/402117459.db2.gz GLXZCJPVNLARBO-ZACQAIPSSA-N 2 0 324.513 2.136 10 0 DEAERP CC1(C)CC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000105070697 402205912 /nfs/dbraw/zinc/20/59/12/402205912.db2.gz NVCDGFGOFTXIMM-OAHLLOKOSA-N 2 0 322.497 2.175 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C12CCOCC2 ZINC000186240016 402414563 /nfs/dbraw/zinc/41/45/63/402414563.db2.gz CGDHDSJRLWFMGH-BHYGNILZSA-N 2 0 308.466 2.035 10 0 DEAERP [NH3+][C@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237882001 402424538 /nfs/dbraw/zinc/42/45/38/402424538.db2.gz HJTAZHRHBKCOPX-CVEARBPZSA-N 2 0 307.482 2.419 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000177333375 402392185 /nfs/dbraw/zinc/39/21/85/402392185.db2.gz XXEIFJPIQORUJE-HNNXBMFYSA-N 2 0 324.513 2.421 10 0 DEAERP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161624651 402393801 /nfs/dbraw/zinc/39/38/01/402393801.db2.gz LXBSKBOZEKNDTA-DLBZAZTESA-N 2 0 300.450 2.267 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000171192369 402565073 /nfs/dbraw/zinc/56/50/73/402565073.db2.gz MWEAAFWGQJTIGT-OAGGEKHMSA-N 2 0 324.513 2.136 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000247401420 402566161 /nfs/dbraw/zinc/56/61/61/402566161.db2.gz RCEDYLCIHRZSPW-GDBMZVCRSA-N 2 0 324.513 2.277 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246196233 402518150 /nfs/dbraw/zinc/51/81/50/402518150.db2.gz MSFWFNDQCVGVDA-BBWFWOEESA-N 2 0 324.513 2.375 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000246553854 402536527 /nfs/dbraw/zinc/53/65/27/402536527.db2.gz YSTNGUSBCVTXCM-QBPKDAKJSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@@H]1C[N@@H+](C2CCN(Cc3cccc4nccn43)CC2)CCO1 ZINC000179784893 402600410 /nfs/dbraw/zinc/60/04/10/402600410.db2.gz PJRPPEQSAMUHRI-OAHLLOKOSA-N 2 0 314.433 2.019 10 0 DEAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000172818436 402677415 /nfs/dbraw/zinc/67/74/15/402677415.db2.gz VAXUTRIYCWCYAY-HZPDHXFCSA-N 2 0 307.482 2.419 10 0 DEAERP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736610 402813862 /nfs/dbraw/zinc/81/38/62/402813862.db2.gz GQAMZJSDMQBGGV-INIZCTEOSA-N 2 0 309.498 2.345 10 0 DEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000175769678 402831008 /nfs/dbraw/zinc/83/10/08/402831008.db2.gz BTHDUGXAPIBTCG-KRWDZBQOSA-N 2 0 324.513 2.090 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000194146137 402785508 /nfs/dbraw/zinc/78/55/08/402785508.db2.gz IMERHUBMEKWVMG-INIZCTEOSA-N 2 0 324.513 2.425 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000194160106 402786285 /nfs/dbraw/zinc/78/62/85/402786285.db2.gz LPSBEPQYFPZROE-OAHLLOKOSA-N 2 0 310.486 2.033 10 0 DEAERP O=C(Nc1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000333277760 403714021 /nfs/dbraw/zinc/71/40/21/403714021.db2.gz LTTLMJNTOCKNMV-HZPDHXFCSA-N 2 0 302.422 2.025 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323788780 404095012 /nfs/dbraw/zinc/09/50/12/404095012.db2.gz GBPZCGNWYFVSPV-GOSISDBHSA-N 2 0 315.461 2.111 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379655278 405027501 /nfs/dbraw/zinc/02/75/01/405027501.db2.gz LFEJVBXZGBRSBE-RTBURBONSA-N 2 0 319.493 2.385 10 0 DEAERP C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000396343972 405056988 /nfs/dbraw/zinc/05/69/88/405056988.db2.gz ZMEPIDRYPRPECW-FAEJEUNOSA-N 2 0 315.461 2.237 10 0 DEAERP c1cncc(C[NH2+]CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423184432 405713885 /nfs/dbraw/zinc/71/38/85/405713885.db2.gz IBUDWGCMUHWMKK-CEXWTWQISA-N 2 0 316.493 2.462 10 0 DEAERP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000639474505 406105046 /nfs/dbraw/zinc/10/50/46/406105046.db2.gz OROAEFNVHVSVMW-SJORKVTESA-N 2 0 317.481 2.353 10 0 DEAERP c1cnc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000635021887 406404923 /nfs/dbraw/zinc/40/49/23/406404923.db2.gz PIAFGGGELJCXDF-RCCFBDPRSA-N 2 0 311.429 2.482 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCC1CC1 ZINC000525302087 406483663 /nfs/dbraw/zinc/48/36/63/406483663.db2.gz MAASISONIBQAKI-QGZVFWFLSA-N 2 0 324.513 2.234 10 0 DEAERP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000638079187 406558295 /nfs/dbraw/zinc/55/82/95/406558295.db2.gz CHOYSEPFVYTAPY-QZTJIDSGSA-N 2 0 313.445 2.205 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccccc2F)CC1 ZINC000137594057 287086055 /nfs/dbraw/zinc/08/60/55/287086055.db2.gz TWAQJKVSYLAOJE-OAHLLOKOSA-N 2 0 308.441 2.393 10 0 DEAERP c1[nH+]cn2cc(C[NH2+]Cc3ccccc3N3CCOCC3)ccc12 ZINC000297628818 227389303 /nfs/dbraw/zinc/38/93/03/227389303.db2.gz WLPCNAAARJNJRJ-UHFFFAOYSA-N 2 0 322.412 2.461 10 0 DEAERP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422762147 230195236 /nfs/dbraw/zinc/19/52/36/230195236.db2.gz RVAVFQAZDWMMLJ-INDMIFKZSA-N 2 0 300.446 2.291 10 0 DEAERP CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390738391 424917613 /nfs/dbraw/zinc/91/76/13/424917613.db2.gz ABFNJWFYVACBFM-MRXNPFEDSA-N 2 0 303.450 2.237 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309593263 424893372 /nfs/dbraw/zinc/89/33/72/424893372.db2.gz PJGAUINUXJEDEE-DLBZAZTESA-N 2 0 303.450 2.141 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1csc(Br)c1 ZINC000397280301 269105275 /nfs/dbraw/zinc/10/52/75/269105275.db2.gz ACQSMVCJIUECSG-SNVBAGLBSA-N 2 0 307.257 2.354 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247388890 277385204 /nfs/dbraw/zinc/38/52/04/277385204.db2.gz QGJWYDZGUWQIKZ-NVXWUHKLSA-N 2 0 324.513 2.135 10 0 DEAERP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCCCC1 ZINC000174537577 278150718 /nfs/dbraw/zinc/15/07/18/278150718.db2.gz FTIQZNFVAWFELQ-MGNMYUMUSA-N 2 0 307.482 2.382 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247426057 279293720 /nfs/dbraw/zinc/29/37/20/279293720.db2.gz VOSQCIRWQLUXOM-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000245425288 279298054 /nfs/dbraw/zinc/29/80/54/279298054.db2.gz TVRLHDLJOQNBAF-BRWVUGGUSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000262234274 535847136 /nfs/dbraw/zinc/84/71/36/535847136.db2.gz PKKXRFZEJRHVPU-SQWLQELKSA-N 2 0 307.438 2.296 10 0 DEAERP C[C@H](CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262302731 625157335 /nfs/dbraw/zinc/15/73/35/625157335.db2.gz OUHPVESLCCDOHI-TWMKSMIVSA-N 2 0 307.482 2.097 10 0 DEAERP c1cn(CCC[NH2+]C2[C@@H]3C[C@H]2CN(Cc2ccccc2)C3)cn1 ZINC000399649457 635746148 /nfs/dbraw/zinc/74/61/48/635746148.db2.gz KOVTVRMDLDXDFB-DFNIBXOVSA-N 2 0 310.445 2.383 10 0 DEAERP OC1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000173951518 646783609 /nfs/dbraw/zinc/78/36/09/646783609.db2.gz VJENTZNZLIBVKF-UHFFFAOYSA-N 2 0 310.482 2.258 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000381767835 685401966 /nfs/dbraw/zinc/40/19/66/685401966.db2.gz PDPDPRQRNMROIQ-MOPGFXCFSA-N 2 0 320.477 2.274 10 0 DEAERP CC[NH+](CC)CCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724039077 787346891 /nfs/dbraw/zinc/34/68/91/787346891.db2.gz AGGOYWOGAZWBOH-SNVBAGLBSA-N 2 0 306.319 2.257 10 0 DEAERP OCCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623367 792981180 /nfs/dbraw/zinc/98/11/80/792981180.db2.gz ZWKYYGZAPJUSIS-FHWLQOOXSA-N 2 0 318.461 2.028 10 0 DEAERP O=C(NCCC[NH+]1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000078946376 185132993 /nfs/dbraw/zinc/13/29/93/185132993.db2.gz YNIJMIXXQZFGNB-UHFFFAOYSA-N 2 0 322.497 2.132 10 0 DEAERP CC(C)C[C@H](C[NH3+])CC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000088290716 185244970 /nfs/dbraw/zinc/24/49/70/185244970.db2.gz QIOCPEJUXJPMTL-OAHLLOKOSA-N 2 0 312.479 2.191 10 0 DEAERP C[N@H+](Cc1ccc(Br)cc1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606687 185306537 /nfs/dbraw/zinc/30/65/37/185306537.db2.gz JNHFOMPYSYEHHB-KBPBESRZSA-N 2 0 313.239 2.245 10 0 DEAERP CN(C[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000092625393 185329743 /nfs/dbraw/zinc/32/97/43/185329743.db2.gz JTLQAAJGAGMDHM-FZMZJTMJSA-N 2 0 301.356 2.130 10 0 DEAERP CN(CCC[NH+](C)C)c1cccc(Br)c1C(N)=[NH2+] ZINC000168951874 197731723 /nfs/dbraw/zinc/73/17/23/197731723.db2.gz VXUQWWFHWOXKMQ-UHFFFAOYSA-N 2 0 313.243 2.121 10 0 DEAERP CC(C)Cc1ncc(C[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000162519798 539597971 /nfs/dbraw/zinc/59/79/71/539597971.db2.gz BRQGDHDRRBKELW-UHFFFAOYSA-N 2 0 324.538 2.459 10 0 DEAERP C[NH2+][C@H](C[C@@H]1C[N@H+](C)CCN1C)c1cc(Cl)ccc1OC ZINC000149595095 186052037 /nfs/dbraw/zinc/05/20/37/186052037.db2.gz YFIUIWAFSIIQHH-UKRRQHHQSA-N 2 0 311.857 2.245 10 0 DEAERP CC[C@@H](C)[C@@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000159682573 186134960 /nfs/dbraw/zinc/13/49/60/186134960.db2.gz YXVITRKGXAHEEJ-MWLCHTKSSA-N 2 0 303.248 2.253 10 0 DEAERP CC(C)C[C@@H](C[NH3+])CC(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164325835 186155567 /nfs/dbraw/zinc/15/55/67/186155567.db2.gz WIIJOWJXKGIEGE-GFCCVEGCSA-N 2 0 314.861 2.292 10 0 DEAERP C[C@@H]1CCC[C@]([NH3+])(C(=O)c2c(Cl)cnn2CC[NH+](C)C)C1 ZINC000164351298 186156490 /nfs/dbraw/zinc/15/64/90/186156490.db2.gz YCPCJGDNVMJZCH-IAQYHMDHSA-N 2 0 312.845 2.188 10 0 DEAERP COc1ccc(CC[C@@H](CCCNC=[NH2+])NC=[NH2+])cc1OC ZINC000001531159 290903788 /nfs/dbraw/zinc/90/37/88/290903788.db2.gz JVNVHIPXYJPRRV-CQSZACIVSA-N 2 0 306.410 2.179 10 0 biogenic,in-vitro DEAERP C[C@H]1CC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H](C)C1 ZINC000333166081 539950384 /nfs/dbraw/zinc/95/03/84/539950384.db2.gz OVGKXEXODPNIQN-FAELENHSSA-N 2 0 307.482 2.048 10 0 DEAERP C[N@@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccccc1 ZINC000333523205 539962294 /nfs/dbraw/zinc/96/22/94/539962294.db2.gz GXEQXQMKQKFJQI-BHUNQDJPSA-N 2 0 316.449 2.001 10 0 DEAERP C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333578308 539963703 /nfs/dbraw/zinc/96/37/03/539963703.db2.gz NHLUXHDGPQOIRM-XHSDSOJGSA-N 2 0 322.497 2.081 10 0 DEAERP Cc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3CO)CC2)c(C)c1 ZINC000169782039 355982627 /nfs/dbraw/zinc/98/26/27/355982627.db2.gz MMNXJAMUFWFBHY-GOSISDBHSA-N 2 0 302.462 2.440 10 0 DEAERP C[C@@H]1CCC[C@]([NH3+])(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000080937353 192202232 /nfs/dbraw/zinc/20/22/32/192202232.db2.gz JIVLGLAXPZTBQI-DVOMOZLQSA-N 2 0 309.479 2.375 10 0 DEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236909153 202065753 /nfs/dbraw/zinc/06/57/53/202065753.db2.gz SRHDBAHXILLWKR-YOEHRIQHSA-N 2 0 303.450 2.272 10 0 DEAERP CCC(CC)[C@H](CNC(=O)c1coc(C[NH3+])c1)[NH+]1CCCC1 ZINC000188055361 200186916 /nfs/dbraw/zinc/18/69/16/200186916.db2.gz JTAGWXZOKNUEQQ-INIZCTEOSA-N 2 0 307.438 2.369 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178824178 296069062 /nfs/dbraw/zinc/06/90/62/296069062.db2.gz HKZSRTUWDCFGJC-OWSLCNJRSA-N 2 0 319.493 2.242 10 0 DEAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000262643031 296075382 /nfs/dbraw/zinc/07/53/82/296075382.db2.gz LVTMSQDBDHWQQK-NXHRZFHOSA-N 2 0 319.493 2.384 10 0 DEAERP c1cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000623729274 365152478 /nfs/dbraw/zinc/15/24/78/365152478.db2.gz WTCRHNHSUQJNRF-KRWDZBQOSA-N 2 0 311.433 2.374 10 0 DEAERP CSC1(C[NH3+])CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000091473694 193060954 /nfs/dbraw/zinc/06/09/54/193060954.db2.gz LBJHLOLEAFOBGT-UHFFFAOYSA-N 2 0 300.390 2.112 10 0 DEAERP CCc1nn(C)c(C[C@H](CC[NH+](CC)CC)[NH2+]C)c1Cl ZINC000091716083 193097503 /nfs/dbraw/zinc/09/75/03/193097503.db2.gz DVIMNURXGNQMPD-LBPRGKRZSA-N 2 0 300.878 2.498 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629545114 367243734 /nfs/dbraw/zinc/24/37/34/367243734.db2.gz BNFOGDNERFRVNG-IAAVTCLWSA-N 2 0 314.429 2.399 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cs1 ZINC000629571925 367256418 /nfs/dbraw/zinc/25/64/18/367256418.db2.gz TXDSSRLCBKFMLJ-UHFFFAOYSA-N 2 0 307.257 2.178 10 0 DEAERP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000093523314 193263989 /nfs/dbraw/zinc/26/39/89/193263989.db2.gz HRXLTWZEVKNPEA-QLFBSQMISA-N 2 0 316.511 2.100 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000246169676 284521205 /nfs/dbraw/zinc/52/12/05/284521205.db2.gz BCUVHKXHTQOJGK-FJIDUMEYSA-N 2 0 319.493 2.384 10 0 DEAERP CC[NH2+]Cc1cccc(Br)c1OCC[NH+](C)C ZINC000042411691 183265790 /nfs/dbraw/zinc/26/57/90/183265790.db2.gz ZXIQYTSHNFZRIE-UHFFFAOYSA-N 2 0 301.228 2.499 10 0 DEAERP CCc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)sc1C[NH2+]C ZINC000110275743 194318647 /nfs/dbraw/zinc/31/86/47/194318647.db2.gz DYJFLBJPBSITGD-ZDUSSCGKSA-N 2 0 308.495 2.490 10 0 DEAERP COCC[NH+](CCOC)CC[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000054022023 183920418 /nfs/dbraw/zinc/92/04/18/183920418.db2.gz HGUXVYSBLGXYQM-OAHLLOKOSA-N 2 0 300.830 2.325 10 0 DEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000111132481 194394527 /nfs/dbraw/zinc/39/45/27/194394527.db2.gz CLFUNRXIRHGJBO-GFCCVEGCSA-N 2 0 305.344 2.078 10 0 DEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000111130696 194392835 /nfs/dbraw/zinc/39/28/35/194392835.db2.gz KNRZRCJVHGULTQ-LLVKDONJSA-N 2 0 320.300 2.394 10 0 DEAERP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC[NH+](C)C ZINC000111129680 194392964 /nfs/dbraw/zinc/39/29/64/194392964.db2.gz LWGGCDXBZLZXDO-SMDDNHRTSA-N 2 0 314.271 2.331 10 0 DEAERP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC[NH+](C)C ZINC000111129676 194393275 /nfs/dbraw/zinc/39/32/75/194393275.db2.gz LWGGCDXBZLZXDO-RISCZKNCSA-N 2 0 314.271 2.331 10 0 DEAERP C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CC[NH+](C)C ZINC000111130452 194393391 /nfs/dbraw/zinc/39/33/91/194393391.db2.gz FEYGCZUKQLZQRY-BXKDBHETSA-N 2 0 320.300 2.392 10 0 DEAERP CC[NH2+]CC1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261982335 535460508 /nfs/dbraw/zinc/46/05/08/535460508.db2.gz RLZBLEYAHRBKBC-UHFFFAOYSA-N 2 0 319.474 2.422 10 0 DEAERP C[C@H]([NH3+])Cc1ccc(OCC[NH+](C)C)c(Br)c1 ZINC000062704191 184248799 /nfs/dbraw/zinc/24/87/99/184248799.db2.gz URIMPKUKEUFPDJ-JTQLQIEISA-N 2 0 301.228 2.279 10 0 DEAERP CCC[NH2+][C@H](C)c1c(Br)cnn1CC[NH+](C)C ZINC000158739608 197298019 /nfs/dbraw/zinc/29/80/19/197298019.db2.gz RTDHXYMSVIZESO-SNVBAGLBSA-N 2 0 303.248 2.268 10 0 DEAERP C[NH+](C)Cc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000156236611 197097797 /nfs/dbraw/zinc/09/77/97/197097797.db2.gz YJIAQFSDCPVGFK-UHFFFAOYSA-N 2 0 315.461 2.449 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111836885 285231305 /nfs/dbraw/zinc/23/13/05/285231305.db2.gz ONOLCDLGBFVQTQ-QGZVFWFLSA-N 2 0 324.513 2.426 10 0 DEAERP CCOC(=O)[C@]12C[N@@H+](C(C)C)C[C@H]1C[NH+](CC1CC1)CCC2 ZINC000248177654 257107471 /nfs/dbraw/zinc/10/74/71/257107471.db2.gz WOUMJWAEUKKBLZ-SJLPKXTDSA-N 2 0 308.466 2.382 10 0 DEAERP CC[C@H]1CN(Cc2cnc3c(C)cccn23)CC[N@@H+]1CCOC ZINC000120950421 195270194 /nfs/dbraw/zinc/27/01/94/195270194.db2.gz VORGCJGCSSFQRS-INIZCTEOSA-N 2 0 316.449 2.185 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000358188805 133127049 /nfs/dbraw/zinc/12/70/49/133127049.db2.gz LSWPJPIKFSVDFK-KRWDZBQOSA-N 2 0 322.497 2.058 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000247269525 145131495 /nfs/dbraw/zinc/13/14/95/145131495.db2.gz JVSGPABIGGJRKC-IAGOWNOFSA-N 2 0 324.513 2.136 10 0 DEAERP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249885013 145191313 /nfs/dbraw/zinc/19/13/13/145191313.db2.gz OTRKVVRORDNKHV-CABCVRRESA-N 2 0 304.438 2.039 10 0 DEAERP C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261638760 145212201 /nfs/dbraw/zinc/21/22/01/145212201.db2.gz DIPSHJOKKNFVSN-WFASDCNBSA-N 2 0 323.868 2.404 10 0 DEAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(C)(C)N ZINC000261760631 145223595 /nfs/dbraw/zinc/22/35/95/145223595.db2.gz CVYFVHHJAUGKAE-SFHVURJKSA-N 2 0 319.493 2.101 10 0 DEAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C[C@H]1c1ccccc1 ZINC000261876023 145236319 /nfs/dbraw/zinc/23/63/19/145236319.db2.gz XXBQCARKGNSRMK-XMTFNYHQSA-N 2 0 315.461 2.237 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3CC[C@@H]([NH3+])C(C)(C)C3)sc2C1 ZINC000261918204 145241540 /nfs/dbraw/zinc/24/15/40/145241540.db2.gz YJRNCSKLLKHSFS-OAHLLOKOSA-N 2 0 322.522 2.469 10 0 DEAERP C[NH2+]CC1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261920445 145241880 /nfs/dbraw/zinc/24/18/80/145241880.db2.gz KJFDTZMWVZFLTH-UHFFFAOYSA-N 2 0 305.447 2.031 10 0 DEAERP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000358489463 147144046 /nfs/dbraw/zinc/14/40/46/147144046.db2.gz BVNQTBPSVBHNQR-DLBZAZTESA-N 2 0 324.513 2.234 10 0 DEAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000370763363 148053643 /nfs/dbraw/zinc/05/36/43/148053643.db2.gz JPUHYTYEZTXYNY-SJORKVTESA-N 2 0 303.450 2.142 10 0 DEAERP CCCCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151114017 402016956 /nfs/dbraw/zinc/01/69/56/402016956.db2.gz SHXFYIZSDHQYKD-MRXNPFEDSA-N 2 0 318.465 2.430 10 0 DEAERP O[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000121801092 402052815 /nfs/dbraw/zinc/05/28/15/402052815.db2.gz QNDRKFISAVEJPP-CQSZACIVSA-N 2 0 308.388 2.498 10 0 DEAERP CCOc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123026528 402106527 /nfs/dbraw/zinc/10/65/27/402106527.db2.gz ANHVNIWMLQAQCT-CABCVRRESA-N 2 0 319.449 2.438 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000123942978 402155241 /nfs/dbraw/zinc/15/52/41/402155241.db2.gz PHRWCKDBLGINRM-SJJHQCBESA-N 2 0 324.513 2.279 10 0 DEAERP C(C[NH+]1CCCCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000125166509 402217342 /nfs/dbraw/zinc/21/73/42/402217342.db2.gz NZSSLGBIJTWEMM-SFHVURJKSA-N 2 0 309.498 2.049 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000157747078 402298243 /nfs/dbraw/zinc/29/82/43/402298243.db2.gz UCFBEBDQUALVGH-MRXNPFEDSA-N 2 0 324.513 2.282 10 0 DEAERP Cn1cc(-c2cc(C[NH+]3CCC(CC[NH+](C)C)CC3)on2)cn1 ZINC000184986621 402315161 /nfs/dbraw/zinc/31/51/61/402315161.db2.gz JIMINDSWADKGQY-UHFFFAOYSA-N 2 0 317.437 2.239 10 0 DEAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccccc1OCC[NH+](C)C ZINC000236620986 402369033 /nfs/dbraw/zinc/36/90/33/402369033.db2.gz UAXDJVQPZOCSCY-MRXNPFEDSA-N 2 0 321.465 2.072 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185789858 402377321 /nfs/dbraw/zinc/37/73/21/402377321.db2.gz LMAUFQWDHSZEBW-OAHLLOKOSA-N 2 0 312.502 2.138 10 0 DEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236801456 402383035 /nfs/dbraw/zinc/38/30/35/402383035.db2.gz URCJTKWSGVGMJM-QZWWFDLISA-N 2 0 307.482 2.001 10 0 DEAERP [NH3+][C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237795403 402421560 /nfs/dbraw/zinc/42/15/60/402421560.db2.gz CVDDHFJUNJZSGR-QGZVFWFLSA-N 2 0 301.434 2.021 10 0 DEAERP O=C(NCC[C@@H]1CCC[NH2+]C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000238147484 402439543 /nfs/dbraw/zinc/43/95/43/402439543.db2.gz KWRITRQQVRVBBB-INIZCTEOSA-N 2 0 315.461 2.402 10 0 DEAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000178326936 402485225 /nfs/dbraw/zinc/48/52/25/402485225.db2.gz DPLLVNGNUNEISV-UXLLHSPISA-N 2 0 318.465 2.445 10 0 DEAERP C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000190674735 402617654 /nfs/dbraw/zinc/61/76/54/402617654.db2.gz VESSFGYYVUTLLH-HNNXBMFYSA-N 2 0 322.449 2.431 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000249767637 402641105 /nfs/dbraw/zinc/64/11/05/402641105.db2.gz QJAIYFFWRNMCSF-DLBZAZTESA-N 2 0 324.513 2.280 10 0 DEAERP C[C@]1(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC[NH2+]C1 ZINC000261901772 402719305 /nfs/dbraw/zinc/71/93/05/402719305.db2.gz WGFZUQNITZPHHK-QAPCUYQASA-N 2 0 317.481 2.184 10 0 DEAERP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)C2 ZINC000261922052 402719545 /nfs/dbraw/zinc/71/95/45/402719545.db2.gz KLANFZKMQQRZSK-QRVBRYPASA-N 2 0 300.446 2.148 10 0 DEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000263238549 402748881 /nfs/dbraw/zinc/74/88/81/402748881.db2.gz FLLBMNFQFQXMLZ-ULQDDVLXSA-N 2 0 307.482 2.084 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000175106233 402779857 /nfs/dbraw/zinc/77/98/57/402779857.db2.gz PBHJAFANJMCARD-RHSMWYFYSA-N 2 0 303.450 2.303 10 0 DEAERP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194675280 402809945 /nfs/dbraw/zinc/80/99/45/402809945.db2.gz YSXBVYRQNVEXKB-UHFFFAOYSA-N 2 0 324.513 2.378 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731463 402827330 /nfs/dbraw/zinc/82/73/30/402827330.db2.gz AVJCUJHWLPKEKA-NVXWUHKLSA-N 2 0 309.498 2.440 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000194150215 402785688 /nfs/dbraw/zinc/78/56/88/402785688.db2.gz MBLUJHDPYHZQKU-QGZVFWFLSA-N 2 0 318.465 2.032 10 0 DEAERP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516103 402849486 /nfs/dbraw/zinc/84/94/86/402849486.db2.gz IZNZTKDCPARKBS-UKRRQHHQSA-N 2 0 304.438 2.039 10 0 DEAERP CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309702696 403962132 /nfs/dbraw/zinc/96/21/32/403962132.db2.gz GTJVSIVCGPOZQT-ROUUACIJSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000377571365 404839505 /nfs/dbraw/zinc/83/95/05/404839505.db2.gz KCDZGPRNICMHSE-ZMSDIMECSA-N 2 0 303.450 2.011 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390717206 405047717 /nfs/dbraw/zinc/04/77/17/405047717.db2.gz CWVWWSXGUPKUIG-QZTJIDSGSA-N 2 0 315.461 2.157 10 0 DEAERP CN(C)c1ncc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)n1C ZINC000425333121 405274553 /nfs/dbraw/zinc/27/45/53/405274553.db2.gz FIDBDYSNKSCVQD-MRXNPFEDSA-N 2 0 306.454 2.410 10 0 DEAERP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000638081427 406560004 /nfs/dbraw/zinc/56/00/04/406560004.db2.gz YUNHSAUXRIBHSY-DOTOQJQBSA-N 2 0 303.450 2.155 10 0 DEAERP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638306472 406687587 /nfs/dbraw/zinc/68/75/87/406687587.db2.gz CZBROMHKSHCRPU-CRAIPNDOSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638424745 406765510 /nfs/dbraw/zinc/76/55/10/406765510.db2.gz FDFSFZHWFZSWJP-DOTOQJQBSA-N 2 0 315.461 2.142 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246696335 287052157 /nfs/dbraw/zinc/05/21/57/287052157.db2.gz XNBIQCSNTROXQL-HZPDHXFCSA-N 2 0 324.513 2.233 10 0 DEAERP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000129159478 196025225 /nfs/dbraw/zinc/02/52/25/196025225.db2.gz RQSOHDUBBUIMMF-CHWSQXEVSA-N 2 0 311.223 2.353 10 0 DEAERP C[C@H]([NH3+])Cc1cc(OCC[NH+](C)C)ccc1Br ZINC000129313040 196038214 /nfs/dbraw/zinc/03/82/14/196038214.db2.gz BQNFCTUYWDBBSK-JTQLQIEISA-N 2 0 301.228 2.279 10 0 DEAERP [NH3+]C1CC[NH+]([C@@H]2CCN(c3nccc4sccc43)C2)CC1 ZINC000130857570 196116756 /nfs/dbraw/zinc/11/67/56/196116756.db2.gz QHNKPVURZNTMHZ-CYBMUJFWSA-N 2 0 302.447 2.298 10 0 DEAERP CCOCC[NH+](CCOCC)CC(C)(C)[C@H]1CCC[NH2+]C1 ZINC000135117223 196446175 /nfs/dbraw/zinc/44/61/75/196446175.db2.gz IDQZWTYVKPYFHQ-INIZCTEOSA-N 2 0 300.487 2.387 10 0 DEAERP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000390775600 424917918 /nfs/dbraw/zinc/91/79/18/424917918.db2.gz MRIDKQYILKLNCK-DOTOQJQBSA-N 2 0 303.450 2.013 10 0 DEAERP C[C@@H]1CNC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000401795141 424923959 /nfs/dbraw/zinc/92/39/59/424923959.db2.gz DZHRFUQCNCSDRN-LPHOPBHVSA-N 2 0 301.478 2.486 10 0 DEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425657 424932797 /nfs/dbraw/zinc/93/27/97/424932797.db2.gz KDEWXNXHZAZUDN-MSOLQXFVSA-N 2 0 315.461 2.155 10 0 DEAERP CNC(=O)CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000257196185 424888887 /nfs/dbraw/zinc/88/88/87/424888887.db2.gz XTBVZZCYOIAADY-OKZBNKHCSA-N 2 0 315.461 2.013 10 0 DEAERP COC(C)(C)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397663278 269106748 /nfs/dbraw/zinc/10/67/48/269106748.db2.gz DWQULHJRWLEBLP-INIZCTEOSA-N 2 0 320.477 2.417 10 0 DEAERP C[NH+](C)CCN(C(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000362786856 289119894 /nfs/dbraw/zinc/11/98/94/289119894.db2.gz WKXRGDLGOIUSIZ-UHFFFAOYSA-N 2 0 309.498 2.441 10 0 DEAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262984717 289189575 /nfs/dbraw/zinc/18/95/75/289189575.db2.gz MZATZJGFKRMBNK-SJLPKXTDSA-N 2 0 307.482 2.228 10 0 DEAERP CC(C)NC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178916520 529120537 /nfs/dbraw/zinc/12/05/37/529120537.db2.gz FZUPEHGBCPUTPM-UHFFFAOYSA-N 2 0 309.498 2.489 10 0 DEAERP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000374812260 535161178 /nfs/dbraw/zinc/16/11/78/535161178.db2.gz ZJEOFTPKWMMSJU-NVXWUHKLSA-N 2 0 310.482 2.017 10 0 DEAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261814607 535761102 /nfs/dbraw/zinc/76/11/02/535761102.db2.gz HPVDOSXLMRWVOL-HOTGVXAUSA-N 2 0 303.450 2.265 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246469117 536165836 /nfs/dbraw/zinc/16/58/36/536165836.db2.gz VIEZQXLDVYCORT-IRXDYDNUSA-N 2 0 322.497 2.127 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1sccc1Br ZINC000713115649 792213705 /nfs/dbraw/zinc/21/37/05/792213705.db2.gz HRFNLPOQBDZDLQ-SNVBAGLBSA-N 2 0 321.284 2.397 10 0 DEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[NH2+]2)CCCCC1 ZINC000714235503 792304745 /nfs/dbraw/zinc/30/47/45/792304745.db2.gz CTZVUWMJLQSYPR-QGZVFWFLSA-N 2 0 315.461 2.299 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1[C@](F)(C[NH3+])c1ccccc1 ZINC000164021131 197651996 /nfs/dbraw/zinc/65/19/96/197651996.db2.gz VKDMRMXWLSTRKJ-HNNXBMFYSA-N 2 0 310.804 2.270 10 0 DEAERP C[NH+](C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000362387896 282170718 /nfs/dbraw/zinc/17/07/18/282170718.db2.gz BZLSUFZQSKXMMT-GOSISDBHSA-N 2 0 317.477 2.007 10 0 DEAERP [NH3+]C[C@@]1(Nc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000087914746 185237469 /nfs/dbraw/zinc/23/74/69/185237469.db2.gz TVUVAIAMBXOQQR-AWEZNQCLSA-N 2 0 310.239 2.427 10 0 DEAERP CC[NH2+][C@@H]1COC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000090495457 185299022 /nfs/dbraw/zinc/29/90/22/185299022.db2.gz UFGFISXXHRVWBB-MWLCHTKSSA-N 2 0 319.268 2.225 10 0 DEAERP C[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[C@@H]1C[N@H+](C)CCN1C ZINC000149583571 186051132 /nfs/dbraw/zinc/05/11/32/186051132.db2.gz MJRSPINNRPJKBO-LSDHHAIUSA-N 2 0 313.848 2.246 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172134853 198045242 /nfs/dbraw/zinc/04/52/42/198045242.db2.gz RWWUXDLBINNTJX-WMLDXEAASA-N 2 0 316.449 2.449 10 0 DEAERP C[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309755767 539878967 /nfs/dbraw/zinc/87/89/67/539878967.db2.gz WZJJYDHLQQEHKH-MJGOQNOKSA-N 2 0 315.461 2.157 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382727580 540123501 /nfs/dbraw/zinc/12/35/01/540123501.db2.gz WCJZPFPPVDQKOQ-AEFFLSMTSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000182695647 356140693 /nfs/dbraw/zinc/14/06/93/356140693.db2.gz NCVZOYDRTZXAPJ-ZACQAIPSSA-N 2 0 324.513 2.375 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000380963008 356670337 /nfs/dbraw/zinc/67/03/37/356670337.db2.gz XISQDLHXUVJMGA-NXHRZFHOSA-N 2 0 306.450 2.025 10 0 DEAERP C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+](C)C ZINC000381879999 356672813 /nfs/dbraw/zinc/67/28/13/356672813.db2.gz OLEMZFRPVIREMT-CABCVRRESA-N 2 0 313.486 2.421 10 0 DEAERP C[NH+](C)CCOCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000447593600 239034611 /nfs/dbraw/zinc/03/46/11/239034611.db2.gz TXKKEVOHDALHSV-SJLPKXTDSA-N 2 0 306.450 2.322 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000261788758 296069186 /nfs/dbraw/zinc/06/91/86/296069186.db2.gz STNIHYZXARSDOO-JQHSSLGASA-N 2 0 319.493 2.384 10 0 DEAERP COc1ccc(-n2cc(C[NH2+]CCCC[NH+](C)C)cn2)cc1 ZINC000449106202 240062613 /nfs/dbraw/zinc/06/26/13/240062613.db2.gz KZKIRDRBDSRXJY-UHFFFAOYSA-N 2 0 302.422 2.312 10 0 DEAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261754576 296075301 /nfs/dbraw/zinc/07/53/01/296075301.db2.gz PGTFIPAQTVCDHD-KURKYZTESA-N 2 0 319.493 2.242 10 0 DEAERP CCC[NH2+][C@H]1[C@H](C[N@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429262 193368426 /nfs/dbraw/zinc/36/84/26/193368426.db2.gz ORDQFFAOXYLHLO-GJZGRUSLSA-N 2 0 300.487 2.261 10 0 DEAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000020217710 182198146 /nfs/dbraw/zinc/19/81/46/182198146.db2.gz ZEGANCFQYMNZMZ-JTQLQIEISA-N 2 0 318.284 2.148 10 0 DEAERP C[NH2+][C@@H](c1c(Br)cnn1CC[NH+](C)C)C1CCC1 ZINC000159979829 197378110 /nfs/dbraw/zinc/37/81/10/197378110.db2.gz UNOWPCJDGFKFER-GFCCVEGCSA-N 2 0 315.259 2.268 10 0 DEAERP C[C@@H]([NH3+])Cc1cccc(Br)c1OCC[NH+](C)C ZINC000042412807 183266867 /nfs/dbraw/zinc/26/68/67/183266867.db2.gz BDLXGQVSFLHDGT-SNVBAGLBSA-N 2 0 301.228 2.279 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105148446 194079497 /nfs/dbraw/zinc/07/94/97/194079497.db2.gz HJIZELSLEVDGPK-HNNXBMFYSA-N 2 0 312.502 2.136 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(F)c2F)CC1 ZINC000105862429 194150577 /nfs/dbraw/zinc/15/05/77/194150577.db2.gz ZCBVAAOAJKKSNA-ZDUSSCGKSA-N 2 0 312.404 2.489 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105125262 284798168 /nfs/dbraw/zinc/79/81/68/284798168.db2.gz ZZQPUBVHQQBURH-IAGOWNOFSA-N 2 0 324.513 2.377 10 0 DEAERP CC[C@H](c1nc2c(s1)C[N@@H+](C(C)C)CC2)N1CC[NH2+]CC1 ZINC000109472534 194267120 /nfs/dbraw/zinc/26/71/20/194267120.db2.gz ZHCXBBLMCMGAJC-CQSZACIVSA-N 2 0 308.495 2.266 10 0 DEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000110710300 194353603 /nfs/dbraw/zinc/35/36/03/194353603.db2.gz CWERBPYRVFGOIQ-RISCZKNCSA-N 2 0 301.356 2.130 10 0 DEAERP C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CC[NH+](C)C ZINC000111130496 194393334 /nfs/dbraw/zinc/39/33/34/194393334.db2.gz SHSXFDGHEZGJJV-CABZTGNLSA-N 2 0 320.300 2.392 10 0 DEAERP CCc1nc(N2CCC(C[NH+]3CCCC3)CC2)sc1C[NH3+] ZINC000062037838 184203068 /nfs/dbraw/zinc/20/30/68/184203068.db2.gz HDIZLNOFWLCESG-UHFFFAOYSA-N 2 0 308.495 2.476 10 0 DEAERP CC(C)[C@@](C)(O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000186928122 207368390 /nfs/dbraw/zinc/36/83/90/207368390.db2.gz VMTGZMMLOZPTIN-NUJGCVRESA-N 2 0 312.498 2.215 10 0 DEAERP O=C1O[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC12CCC2 ZINC000191943633 284960992 /nfs/dbraw/zinc/96/09/92/284960992.db2.gz PPJCYAICJFHAIC-MRXNPFEDSA-N 2 0 306.450 2.280 10 0 DEAERP Cc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C(N)=S)c(C)[nH+]1 ZINC000156700333 197133671 /nfs/dbraw/zinc/13/36/71/197133671.db2.gz YAASRSLNZRQLOQ-AAEUAGOBSA-N 2 0 304.463 2.006 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000156442613 197113979 /nfs/dbraw/zinc/11/39/79/197113979.db2.gz ARVFPCKMENNHTQ-HOTGVXAUSA-N 2 0 324.513 2.279 10 0 DEAERP C[C@H](CC[NH+]1CCN(c2nccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000156267321 197100026 /nfs/dbraw/zinc/10/00/26/197100026.db2.gz XHJDWESKVDXGID-HUUCEWRRSA-N 2 0 308.495 2.291 10 0 DEAERP c1cncc(C[NH+]2CCO[C@H]3C[N@H+](CC4CC4)CC[C@H]3C2)c1 ZINC000253591776 257105193 /nfs/dbraw/zinc/10/51/93/257105193.db2.gz QJSLJHZIADAUNC-ROUUACIJSA-N 2 0 301.434 2.014 10 0 DEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671545 133194155 /nfs/dbraw/zinc/19/41/55/133194155.db2.gz LHMHLZLIKKJXCC-LPHOPBHVSA-N 2 0 315.461 2.411 10 0 DEAERP CC(C)[C@](C)(O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248580046 145159535 /nfs/dbraw/zinc/15/95/35/145159535.db2.gz VMTGZMMLOZPTIN-SOLBZPMBSA-N 2 0 312.498 2.215 10 0 DEAERP OC1(c2cccnc2)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000248654274 145163438 /nfs/dbraw/zinc/16/34/38/145163438.db2.gz ZJEDPERKRXKVGZ-IAFLDTSXSA-N 2 0 315.461 2.428 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261545472 145206875 /nfs/dbraw/zinc/20/68/75/145206875.db2.gz KBSKPSJORUVOTR-RDJZCZTQSA-N 2 0 303.450 2.155 10 0 DEAERP CN(CC(=O)N1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261619607 145210885 /nfs/dbraw/zinc/21/08/85/145210885.db2.gz ARHGFEQILNOVPV-SJPCQFCGSA-N 2 0 313.445 2.181 10 0 DEAERP c1nc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000261701654 145218517 /nfs/dbraw/zinc/21/85/17/145218517.db2.gz IAYJKWOMBOXDDT-MRXNPFEDSA-N 2 0 302.466 2.398 10 0 DEAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000261784426 145225864 /nfs/dbraw/zinc/22/58/64/145225864.db2.gz SWMRGQVAHZDDFG-GOSISDBHSA-N 2 0 311.429 2.107 10 0 DEAERP C[C@]1(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)CC[NH2+]C1 ZINC000261918921 145241472 /nfs/dbraw/zinc/24/14/72/145241472.db2.gz BLSSZZDOWHXWGN-APWZRJJASA-N 2 0 315.461 2.128 10 0 DEAERP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)s2)cc1 ZINC000262074418 145259220 /nfs/dbraw/zinc/25/92/20/145259220.db2.gz DAMQOICITRTTOW-GOEBONIOSA-N 2 0 302.443 2.393 10 0 DEAERP CC(C)N(CC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119142686 401928753 /nfs/dbraw/zinc/92/87/53/401928753.db2.gz YXSAPAMHVPNNEV-UHFFFAOYSA-N 2 0 312.502 2.088 10 0 DEAERP CC(C)n1nnnc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122112931 402061887 /nfs/dbraw/zinc/06/18/87/402061887.db2.gz WPLWMVNUCMAHQA-UHFFFAOYSA-N 2 0 320.485 2.342 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000101668932 402153743 /nfs/dbraw/zinc/15/37/43/402153743.db2.gz NDCDGKJYQJMSDR-OWCLPIDISA-N 2 0 309.498 2.486 10 0 DEAERP CCC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000154878328 402236986 /nfs/dbraw/zinc/23/69/86/402236986.db2.gz CRTALKUFTSYMPK-RDJZCZTQSA-N 2 0 305.466 2.353 10 0 DEAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000124995254 402208207 /nfs/dbraw/zinc/20/82/07/402208207.db2.gz IUGJUZPVNPXGEZ-QZTJIDSGSA-N 2 0 317.477 2.498 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000156797683 402288354 /nfs/dbraw/zinc/28/83/54/402288354.db2.gz ULKQZLLFJGDDQD-ZFWWWQNUSA-N 2 0 324.513 2.324 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000165867119 402479420 /nfs/dbraw/zinc/47/94/20/402479420.db2.gz LEOQOGFBHOXRDI-OAHLLOKOSA-N 2 0 309.498 2.250 10 0 DEAERP CC[N@H+](CC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000246195972 402517772 /nfs/dbraw/zinc/51/77/72/402517772.db2.gz ACTYOUVBBRAXNR-WBVHZDCISA-N 2 0 315.461 2.250 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246197594 402518158 /nfs/dbraw/zinc/51/81/58/402518158.db2.gz DPLHDTFAWHGAPA-RCCFBDPRSA-N 2 0 315.461 2.094 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246570473 402537300 /nfs/dbraw/zinc/53/73/00/402537300.db2.gz YLIPSFHFKLZDPK-BBWFWOEESA-N 2 0 324.513 2.233 10 0 DEAERP C[C@H]1C[C@H](Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[N@@H+]1C ZINC000179743387 402599493 /nfs/dbraw/zinc/59/94/93/402599493.db2.gz ULZVKVHXZCHWBT-LSDHHAIUSA-N 2 0 318.465 2.449 10 0 DEAERP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180930819 402630311 /nfs/dbraw/zinc/63/03/11/402630311.db2.gz ZSXVFBKNHAXBGE-MRXNPFEDSA-N 2 0 317.481 2.298 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)CCO3)CC1 ZINC000171929623 402633835 /nfs/dbraw/zinc/63/38/35/402633835.db2.gz PTQBQRONXVTDAR-OAHLLOKOSA-N 2 0 318.461 2.146 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCCC2 ZINC000181560073 402649846 /nfs/dbraw/zinc/64/98/46/402649846.db2.gz NLKWDPWJJSCQRT-GVDBMIGSSA-N 2 0 310.482 2.161 10 0 DEAERP CC(C)c1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261969970 402720868 /nfs/dbraw/zinc/72/08/68/402720868.db2.gz PYAFPQCNGGDNGC-HNNXBMFYSA-N 2 0 303.450 2.235 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C1 ZINC000263289711 402754730 /nfs/dbraw/zinc/75/47/30/402754730.db2.gz LHPKXUWPUGPQPH-GASCZTMLSA-N 2 0 315.461 2.000 10 0 DEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174745691 402755206 /nfs/dbraw/zinc/75/52/06/402755206.db2.gz HCIVTRSFWWNORE-IKGGRYGDSA-N 2 0 324.513 2.231 10 0 DEAERP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)C[NH+](CC)CC)cc1 ZINC000262055388 402722048 /nfs/dbraw/zinc/72/20/48/402722048.db2.gz VHXPMVPRLMDLCG-QGZVFWFLSA-N 2 0 303.450 2.064 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000175720902 402826444 /nfs/dbraw/zinc/82/64/44/402826444.db2.gz YIRRGRMDFFYJHQ-PBHICJAKSA-N 2 0 303.450 2.208 10 0 DEAERP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516250 402849329 /nfs/dbraw/zinc/84/93/29/402849329.db2.gz GSFDMQXPJKZFEL-NUEKZKHPSA-N 2 0 318.465 2.427 10 0 DEAERP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2cc(F)ccc2[nH+]1 ZINC000301717893 403669076 /nfs/dbraw/zinc/66/90/76/403669076.db2.gz OGCUVRDVLSXOSR-SJORKVTESA-N 2 0 301.365 2.202 10 0 DEAERP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@@H]21 ZINC000333135439 403673883 /nfs/dbraw/zinc/67/38/83/403673883.db2.gz BMWYOTUVZDCIJL-QLFBSQMISA-N 2 0 301.438 2.031 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000358660987 404770774 /nfs/dbraw/zinc/77/07/74/404770774.db2.gz HHZQSEHAGACRBL-MRXNPFEDSA-N 2 0 322.497 2.010 10 0 DEAERP CCC[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)OC ZINC000397595397 405058773 /nfs/dbraw/zinc/05/87/73/405058773.db2.gz PDQRCFGWTGKYKB-SFHVURJKSA-N 2 0 320.477 2.418 10 0 DEAERP c1nnc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC000420364359 405333366 /nfs/dbraw/zinc/33/33/66/405333366.db2.gz QPLDKAXPOFIWAK-LSDHHAIUSA-N 2 0 303.454 2.182 10 0 DEAERP C1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2(C1)CCOCC2 ZINC000423512399 405833385 /nfs/dbraw/zinc/83/33/85/405833385.db2.gz QETWUEAHTQNLES-ABHNRTSZSA-N 2 0 321.509 2.142 10 0 DEAERP c1ccc([C@@H]2C[C@H]([NH2+]C3COCCOC3)CCN2C2CC2)cc1 ZINC000639201803 405969308 /nfs/dbraw/zinc/96/93/08/405969308.db2.gz MVJFAYVFKQCPML-APWZRJJASA-N 2 0 316.445 2.360 10 0 DEAERP Cn1ncc(Br)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459796025 406051137 /nfs/dbraw/zinc/05/11/37/406051137.db2.gz VXVMDJBQRXFCMW-LLVKDONJSA-N 2 0 315.259 2.004 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000635005334 406397457 /nfs/dbraw/zinc/39/74/57/406397457.db2.gz UQLOOKUJQUIVMV-BHIYHBOVSA-N 2 0 301.478 2.486 10 0 DEAERP c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2c(c1)COCC2 ZINC000635013672 406399760 /nfs/dbraw/zinc/39/97/60/406399760.db2.gz UWLCBAKWZFNYEQ-CEXWTWQISA-N 2 0 316.445 2.006 10 0 DEAERP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638079418 406558866 /nfs/dbraw/zinc/55/88/66/406558866.db2.gz DFZLIRBFPMSLQC-SJLPKXTDSA-N 2 0 313.445 2.062 10 0 DEAERP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638306473 406688546 /nfs/dbraw/zinc/68/85/46/406688546.db2.gz CZBROMHKSHCRPU-MAUKXSAKSA-N 2 0 315.461 2.013 10 0 DEAERP CC[NH+](CC)CCC(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000134158042 196366719 /nfs/dbraw/zinc/36/67/19/196366719.db2.gz APHHIBZRVOXCAA-UHFFFAOYSA-N 2 0 300.834 2.013 10 0 DEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261962800 287345027 /nfs/dbraw/zinc/34/50/27/287345027.db2.gz PSBSHNKOCUNRSM-XMTFNYHQSA-N 2 0 323.525 2.244 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398030050 424922040 /nfs/dbraw/zinc/92/20/40/424922040.db2.gz GEXGMBFRZXHPBN-BHYGNILZSA-N 2 0 303.450 2.139 10 0 DEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000333902914 269003150 /nfs/dbraw/zinc/00/31/50/269003150.db2.gz JCLNSHVNDXEENV-MELADBBJSA-N 2 0 322.478 2.016 10 0 DEAERP COCC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486153 269106591 /nfs/dbraw/zinc/10/65/91/269106591.db2.gz CCPOIJYLQBKWGJ-MRXNPFEDSA-N 2 0 306.450 2.028 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398073568 269108497 /nfs/dbraw/zinc/10/84/97/269108497.db2.gz DZQYHLYNMGHBCL-NEWSRXKRSA-N 2 0 319.493 2.241 10 0 DEAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261820064 289190271 /nfs/dbraw/zinc/19/02/71/289190271.db2.gz XUJAHPVOXHRSMX-CXAGYDPISA-N 2 0 305.397 2.318 10 0 DEAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262672373 536403317 /nfs/dbraw/zinc/40/33/17/536403317.db2.gz PHOKPSAWWDVGER-TWMKSMIVSA-N 2 0 307.482 2.240 10 0 DEAERP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828743 536761972 /nfs/dbraw/zinc/76/19/72/536761972.db2.gz YNJFYHNEUPBLRC-OAHLLOKOSA-N 2 0 305.422 2.083 10 0 DEAERP NC(=O)[C@@H](c1ccccc1)N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299740780 563938539 /nfs/dbraw/zinc/93/85/39/563938539.db2.gz BSDBPGZMNFATQQ-CRAIPNDOSA-N 2 0 324.428 2.235 10 0 DEAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000222559248 636361975 /nfs/dbraw/zinc/36/19/75/636361975.db2.gz IRFCHLDHSWZTFU-SFHVURJKSA-N 2 0 315.461 2.352 10 0 DEAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000713005415 792212727 /nfs/dbraw/zinc/21/27/27/792212727.db2.gz UAXYWJYZMXDZCX-IAGOWNOFSA-N 2 0 317.477 2.387 10 0 DEAERP COCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623241 792981329 /nfs/dbraw/zinc/98/13/29/792981329.db2.gz YXAKLIFTPGCITK-OTWHNJEPSA-N 2 0 318.461 2.292 10 0 DEAERP CNC(=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716678577 792984539 /nfs/dbraw/zinc/98/45/39/792984539.db2.gz KZRDOCAYADVDES-KSZLIROESA-N 2 0 315.461 2.155 10 0 DEAERP COc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc2c1OCO2 ZINC000188415171 539682321 /nfs/dbraw/zinc/68/23/21/539682321.db2.gz IRMPPCCTXDCQMQ-AWEZNQCLSA-N 2 0 315.373 2.285 10 0 DEAERP c1nc(C2CC2)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415046997 540158757 /nfs/dbraw/zinc/15/87/57/540158757.db2.gz DGMZPGMIFZGPGD-UHFFFAOYSA-N 2 0 320.506 2.327 10 0 DEAERP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1cnn(C(C)C)c1)CC2 ZINC000169790004 355984608 /nfs/dbraw/zinc/98/46/08/355984608.db2.gz RVVJSKMKYMYDIH-KRWDZBQOSA-N 2 0 320.481 2.254 10 0 DEAERP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182053486 356106450 /nfs/dbraw/zinc/10/64/50/356106450.db2.gz KTZXWNRAOYTVEH-QZTJIDSGSA-N 2 0 303.494 2.481 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236911696 202066930 /nfs/dbraw/zinc/06/69/30/202066930.db2.gz KHDMYCQSUSUALX-YVSFHVDLSA-N 2 0 307.482 2.288 10 0 DEAERP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000621764336 364539098 /nfs/dbraw/zinc/53/90/98/364539098.db2.gz DDEFVXNFDZILRT-HLLBOEOZSA-N 2 0 301.434 2.414 10 0 DEAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)C1 ZINC000091392792 193050629 /nfs/dbraw/zinc/05/06/29/193050629.db2.gz PQIUBEMUSKOWOT-FZMZJTMJSA-N 2 0 301.356 2.130 10 0 DEAERP COCC[NH2+]CC1(C[N@H+](C)CC(C)(C)O)CCC(C)CC1 ZINC000092982819 193191621 /nfs/dbraw/zinc/19/16/21/193191621.db2.gz HHMGZPXJMJKUKT-UHFFFAOYSA-N 2 0 300.487 2.122 10 0 DEAERP CN(c1nc(C(F)(F)F)ccc1C[NH3+])C1CC[NH+](C)CC1 ZINC000094334047 193360655 /nfs/dbraw/zinc/36/06/55/193360655.db2.gz CVPQASNZCCFNMA-UHFFFAOYSA-N 2 0 302.344 2.090 10 0 DEAERP [NH3+]C[C@@H](c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457596 193371095 /nfs/dbraw/zinc/37/10/95/193371095.db2.gz HUWLHTGLINCWMR-CABCVRRESA-N 2 0 324.266 2.229 10 0 DEAERP CCCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1Cl ZINC000020967428 182257123 /nfs/dbraw/zinc/25/71/23/182257123.db2.gz FDEOMNQFPRLGMY-UHFFFAOYSA-N 2 0 300.830 2.190 10 0 DEAERP CN([C@H](C[NH3+])c1ccc(Br)o1)C1CC[NH+](C)CC1 ZINC000022168285 182312150 /nfs/dbraw/zinc/31/21/50/182312150.db2.gz BQVFWCOJAMWPDD-LLVKDONJSA-N 2 0 316.243 2.068 10 0 DEAERP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000043019830 183328695 /nfs/dbraw/zinc/32/86/95/183328695.db2.gz RUDLLMYILNSNLF-SMDDNHRTSA-N 2 0 312.255 2.085 10 0 DEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000111133007 194394227 /nfs/dbraw/zinc/39/42/27/194394227.db2.gz AXGVHQIFNOIGGT-ZDUSSCGKSA-N 2 0 318.234 2.081 10 0 DEAERP CCOCC[N@H+](CC)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000111122850 194392907 /nfs/dbraw/zinc/39/29/07/194392907.db2.gz SDKPGBXHPLQODL-UHFFFAOYSA-N 2 0 300.487 2.387 10 0 DEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711398 184248945 /nfs/dbraw/zinc/24/89/45/184248945.db2.gz OKGXLMXSMQJHBL-AWEZNQCLSA-N 2 0 303.372 2.377 10 0 DEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)s2)C1 ZINC000062963995 184263261 /nfs/dbraw/zinc/26/32/61/184263261.db2.gz VYPCYTGKYQZKKB-ZJUUUORDSA-N 2 0 318.284 2.146 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000539417230 285076748 /nfs/dbraw/zinc/07/67/48/285076748.db2.gz HCFRWHUEGXSCEH-SFHVURJKSA-N 2 0 317.477 2.451 10 0 DEAERP C[C@@H]1C[C@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC[N@@H+]1C ZINC000158927836 197312396 /nfs/dbraw/zinc/31/23/96/197312396.db2.gz IOBNPRMNIZEBBW-NXEZZACHSA-N 2 0 302.344 2.203 10 0 DEAERP C[NH2+][C@@H](c1c(Br)cnn1CC[NH+](C)C)C(C)C ZINC000158690850 197295194 /nfs/dbraw/zinc/29/51/94/197295194.db2.gz NLERBCINYZCTQU-LLVKDONJSA-N 2 0 303.248 2.124 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247962102 285194625 /nfs/dbraw/zinc/19/46/25/285194625.db2.gz CYDGGGTXMQTSBC-KSZLIROESA-N 2 0 315.461 2.422 10 0 DEAERP C[C@@H](CC[NH+]1CCN(CC(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000156287636 197101809 /nfs/dbraw/zinc/10/18/09/197101809.db2.gz WQPWHDCTGFLBMO-KBPBESRZSA-N 2 0 307.404 2.192 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000358188664 133127210 /nfs/dbraw/zinc/12/72/10/133127210.db2.gz LGLBTDDBKRUSER-UHFFFAOYSA-N 2 0 322.497 2.202 10 0 DEAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246209713 145094430 /nfs/dbraw/zinc/09/44/30/145094430.db2.gz FTGWSRDQZZSSLS-KSZLIROESA-N 2 0 315.461 2.285 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000246734525 145112347 /nfs/dbraw/zinc/11/23/47/145112347.db2.gz ARVFPCKMENNHTQ-HZPDHXFCSA-N 2 0 324.513 2.279 10 0 DEAERP OCC1([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248409393 145153679 /nfs/dbraw/zinc/15/36/79/145153679.db2.gz FXDGVNFCNHEOSI-RCCFBDPRSA-N 2 0 300.446 2.402 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2CC)C12CCOCC2 ZINC000248907276 145174005 /nfs/dbraw/zinc/17/40/05/145174005.db2.gz BJUSWLLHUFAGHO-IXDOHACOSA-N 2 0 310.482 2.425 10 0 DEAERP COc1ccc(CN(Cc2noc(CN)n2)[C@H](C)C2CC2)cc1 ZINC000261619916 145211065 /nfs/dbraw/zinc/21/10/65/145211065.db2.gz CUTPFCUDZYNFMT-GFCCVEGCSA-N 2 0 316.405 2.338 10 0 DEAERP C[C@@H](CC(=O)N(CC[NH3+])CCc1ccccc1)C1CC[NH2+]CC1 ZINC000261779622 145225991 /nfs/dbraw/zinc/22/59/91/145225991.db2.gz SJHZCXKQNCBBGO-INIZCTEOSA-N 2 0 317.477 2.042 10 0 DEAERP C[C@H]([NH3+])CC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000261858361 145234560 /nfs/dbraw/zinc/23/45/60/145234560.db2.gz PLXRHIDIGVAKFD-STQMWFEESA-N 2 0 309.841 2.283 10 0 DEAERP O=C(CC1CCCC1)NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262026791 145254528 /nfs/dbraw/zinc/25/45/28/145254528.db2.gz WTIHIKFSWSBRGU-MRXNPFEDSA-N 2 0 307.482 2.147 10 0 DEAERP CN(Cc1ccc2c(c1)sc(=O)n2C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262040394 145256308 /nfs/dbraw/zinc/25/63/08/145256308.db2.gz YFWZMGODIQLZGS-PBWFPOADSA-N 2 0 317.458 2.315 10 0 DEAERP Cc1ccc(C(=O)NC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)s1 ZINC000262079549 145260018 /nfs/dbraw/zinc/26/00/18/145260018.db2.gz SWICPTSHEFBKHU-QGZVFWFLSA-N 2 0 321.490 2.250 10 0 DEAERP CC[C@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847459 148053449 /nfs/dbraw/zinc/05/34/49/148053449.db2.gz SDLGRHXFWFHVNE-QAPCUYQASA-N 2 0 303.450 2.013 10 0 DEAERP C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085423623 401915765 /nfs/dbraw/zinc/91/57/65/401915765.db2.gz BIVUDIKHRGPXNS-HNNXBMFYSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030932 401920407 /nfs/dbraw/zinc/92/04/07/401920407.db2.gz YFDSSODRPMSNPT-HNNXBMFYSA-N 2 0 309.841 2.155 10 0 DEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000120591238 401995574 /nfs/dbraw/zinc/99/55/74/401995574.db2.gz DOVRFYNOYUFVER-GVDBMIGSSA-N 2 0 324.513 2.090 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000158296046 402304128 /nfs/dbraw/zinc/30/41/28/402304128.db2.gz WWGULYRHTPKMJT-KRWDZBQOSA-N 2 0 324.513 2.090 10 0 DEAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000185888413 402385521 /nfs/dbraw/zinc/38/55/21/402385521.db2.gz QNIZVRLLQAQXAG-UHFFFAOYSA-N 2 0 315.465 2.069 10 0 DEAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000237858910 402423948 /nfs/dbraw/zinc/42/39/48/402423948.db2.gz WYPUUSPYZJWQFQ-SJORKVTESA-N 2 0 307.482 2.228 10 0 DEAERP C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000163574136 402452772 /nfs/dbraw/zinc/45/27/72/402452772.db2.gz AMOIGRSVHAMYAK-CRAIPNDOSA-N 2 0 315.461 2.409 10 0 DEAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246013578 402503448 /nfs/dbraw/zinc/50/34/48/402503448.db2.gz ZVHDNHWBENUSQJ-JYJNAYRXSA-N 2 0 320.481 2.368 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000178933063 402556649 /nfs/dbraw/zinc/55/66/49/402556649.db2.gz XPPDOCKHFBHBQM-QGZVFWFLSA-N 2 0 324.513 2.282 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000247280243 402562172 /nfs/dbraw/zinc/56/21/72/402562172.db2.gz KHEOIAXAVSPVJB-MKXAEBJUSA-N 2 0 322.497 2.030 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246355586 402526869 /nfs/dbraw/zinc/52/68/69/402526869.db2.gz PNBCAHWLBVIXRB-NVXWUHKLSA-N 2 0 324.513 2.090 10 0 DEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246406492 402529153 /nfs/dbraw/zinc/52/91/53/402529153.db2.gz LQPBHMDPEGZRNY-ZACQAIPSSA-N 2 0 324.513 2.088 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(C(C)(C)C)c2)CC1 ZINC000179518068 402592841 /nfs/dbraw/zinc/59/28/41/402592841.db2.gz GVHRIISLTPBHSQ-OAHLLOKOSA-N 2 0 322.497 2.163 10 0 DEAERP c1ccc(C[N@H+]2CCCC[C@@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000262361709 402724982 /nfs/dbraw/zinc/72/49/82/402724982.db2.gz IXPKAPKPTKCUDC-KRWDZBQOSA-N 2 0 300.450 2.228 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000194148435 402785704 /nfs/dbraw/zinc/78/57/04/402785704.db2.gz AJMXIMNFPBYHDT-DLBZAZTESA-N 2 0 324.513 2.282 10 0 DEAERP CC/C=C/CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000184520923 402848671 /nfs/dbraw/zinc/84/86/71/402848671.db2.gz DKKXSNZCFMFZBB-DUMMIQTOSA-N 2 0 309.498 2.070 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cccc(Br)c1 ZINC000313710818 403989553 /nfs/dbraw/zinc/98/95/53/403989553.db2.gz HULTXTZKPXVMIQ-CQSZACIVSA-N 2 0 315.255 2.335 10 0 DEAERP CC(C)C[C@H]([NH3+])CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000414755051 404724985 /nfs/dbraw/zinc/72/49/85/404724985.db2.gz OOMOGBWWXGQHQY-OTWHNJEPSA-N 2 0 301.478 2.424 10 0 DEAERP CC(C)([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850866 405713600 /nfs/dbraw/zinc/71/36/00/405713600.db2.gz HVSNNQSAGSYCLS-INIZCTEOSA-N 2 0 303.450 2.285 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638103508 406571956 /nfs/dbraw/zinc/57/19/56/406571956.db2.gz PPPKICJMSOYUNX-FHLIZLRMSA-N 2 0 313.445 2.203 10 0 DEAERP C[C@@H](CCNC(=O)C1=CC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000638133775 406587380 /nfs/dbraw/zinc/58/73/80/406587380.db2.gz XVBSHEXAMFFQDZ-WMLDXEAASA-N 2 0 301.434 2.061 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398039250 424922044 /nfs/dbraw/zinc/92/20/44/424922044.db2.gz KIKGCULHPNHHDW-KBAYOESNSA-N 2 0 317.477 2.387 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000398041134 424922074 /nfs/dbraw/zinc/92/20/74/424922074.db2.gz RXWMKVARIUPDDI-UBDQQSCGSA-N 2 0 315.461 2.141 10 0 DEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333489064 268955823 /nfs/dbraw/zinc/95/58/23/268955823.db2.gz CFOLLGBZZUWSEU-YOEHRIQHSA-N 2 0 322.497 2.081 10 0 DEAERP CCn1ccnc1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000334069183 269014748 /nfs/dbraw/zinc/01/47/48/269014748.db2.gz FVQVOTVVEYIRHT-HNNXBMFYSA-N 2 0 319.453 2.063 10 0 DEAERP C[C@@H](CC(N)=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499192839 269303615 /nfs/dbraw/zinc/30/36/15/269303615.db2.gz QNHKSXXYTYAHFG-QSPRXWTASA-N 2 0 301.434 2.036 10 0 DEAERP C[NH+](C)CC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)C(C)(C)C ZINC000172193208 289181818 /nfs/dbraw/zinc/18/18/18/289181818.db2.gz RNSXMGMZGUGKRU-INIZCTEOSA-N 2 0 324.513 2.233 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000246260715 521711701 /nfs/dbraw/zinc/71/17/01/521711701.db2.gz LASMEGGLEJSSBE-AKBNIOSXSA-N 2 0 307.482 2.096 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357968264 535448512 /nfs/dbraw/zinc/44/85/12/535448512.db2.gz CPGRFEYIKXATLL-HNNXBMFYSA-N 2 0 312.502 2.136 10 0 DEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262563196 535560339 /nfs/dbraw/zinc/56/03/39/535560339.db2.gz RAPIRBMRKOHZPO-AWEZNQCLSA-N 2 0 319.449 2.201 10 0 DEAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261814610 535759482 /nfs/dbraw/zinc/75/94/82/535759482.db2.gz HPVDOSXLMRWVOL-HZPDHXFCSA-N 2 0 303.450 2.265 10 0 DEAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248184721 535996214 /nfs/dbraw/zinc/99/62/14/535996214.db2.gz XBRCQGINUHPSIV-ZWKOTPCHSA-N 2 0 315.461 2.305 10 0 DEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692732 536449618 /nfs/dbraw/zinc/44/96/18/536449618.db2.gz BBWCKLIVTRPCTP-MOPGFXCFSA-N 2 0 301.478 2.440 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH2+]C(C)(C)C ZINC000309727735 625326477 /nfs/dbraw/zinc/32/64/77/625326477.db2.gz OABIDIZPULBSGG-HNNXBMFYSA-N 2 0 305.466 2.401 10 0 DEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000261781912 636412832 /nfs/dbraw/zinc/41/28/32/636412832.db2.gz RYENJRUUUNZLPZ-ZACQAIPSSA-N 2 0 317.481 2.346 10 0 DEAERP CN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381899183 685402119 /nfs/dbraw/zinc/40/21/19/685402119.db2.gz VOSVTHJSBDRPNN-QGZVFWFLSA-N 2 0 317.477 2.498 10 0 DEAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000713005419 792212627 /nfs/dbraw/zinc/21/26/27/792212627.db2.gz UAXYWJYZMXDZCX-SJORKVTESA-N 2 0 317.477 2.387 10 0 DEAERP OCC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716623245 792981215 /nfs/dbraw/zinc/98/12/15/792981215.db2.gz ZBUJPMXVOVESPY-KQGQHFIGSA-N 2 0 300.446 2.400 10 0 DEAERP C[C@@H]([NH3+])CCC[C@@H](C)C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000087705839 185230718 /nfs/dbraw/zinc/23/07/18/185230718.db2.gz FVBDCPIVDDJEJH-ZIAGYGMSSA-N 2 0 312.479 2.333 10 0 DEAERP Brc1ccc2c(c1)CC[C@H]([NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000090320499 185290990 /nfs/dbraw/zinc/29/09/90/185290990.db2.gz JCZPGWQDDLHYIO-FMKPAKJESA-N 2 0 321.262 2.458 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(CC)CC ZINC000245944343 539759401 /nfs/dbraw/zinc/75/94/01/539759401.db2.gz VMUMHJQIUIPDJJ-BRWVUGGUSA-N 2 0 312.498 2.407 10 0 DEAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000363850652 282690578 /nfs/dbraw/zinc/69/05/78/282690578.db2.gz PZCMOEXZFOZJMC-KRWDZBQOSA-N 2 0 307.482 2.053 10 0 DEAERP CC[N@@H+]1CCO[C@@H](Cn2cc(C[NH3+])c3ccc(Cl)cc32)C1 ZINC000163987821 186145098 /nfs/dbraw/zinc/14/50/98/186145098.db2.gz SIIDBHLZHRBBME-CQSZACIVSA-N 2 0 307.825 2.474 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000164200238 186152235 /nfs/dbraw/zinc/15/22/35/186152235.db2.gz IPMIXQSJOZMAIG-LBPRGKRZSA-N 2 0 312.845 2.203 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323788061 539906089 /nfs/dbraw/zinc/90/60/89/539906089.db2.gz FVBAGPSMCUBEAZ-ZWKOTPCHSA-N 2 0 315.461 2.096 10 0 DEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382712637 540123644 /nfs/dbraw/zinc/12/36/44/540123644.db2.gz WKYCSJGGABMNQV-MJGOQNOKSA-N 2 0 315.461 2.109 10 0 DEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000073722474 191348233 /nfs/dbraw/zinc/34/82/33/191348233.db2.gz RYJCSUTUQLBDDT-HZPDHXFCSA-N 2 0 312.502 2.088 10 0 DEAERP C[NH2+][C@H](C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404312535 540145035 /nfs/dbraw/zinc/14/50/35/540145035.db2.gz MCWKTBQRNVSWPL-FZKCQIBNSA-N 2 0 303.450 2.104 10 0 DEAERP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404296040 540145137 /nfs/dbraw/zinc/14/51/37/540145137.db2.gz CYBVNEGOVQDBJR-KYHPRHEASA-N 2 0 315.461 2.106 10 0 DEAERP OC1(C[NH2+]CC[C@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000400610554 283158175 /nfs/dbraw/zinc/15/81/75/283158175.db2.gz HGOOYZPRZJATDG-SFHVURJKSA-N 2 0 318.461 2.030 10 0 DEAERP CCC(CC)[N@H+](CCOC)CC[C@H]1CCC[C@@]1(CO)[NH2+]C ZINC000093617879 193275031 /nfs/dbraw/zinc/27/50/31/193275031.db2.gz UNQOWJKBICOAEG-WBVHZDCISA-N 2 0 300.487 2.264 10 0 DEAERP C[C@H]1SCCC[C@@]1(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000094479199 193372924 /nfs/dbraw/zinc/37/29/24/193372924.db2.gz KDWATKSQKWYTSM-WBVHZDCISA-N 2 0 311.539 2.407 10 0 DEAERP C/C=C(\C[NH2+]C)C[NH2+]CCCCCCC[NH2+]C/C(=C/C)C[NH2+]C ZINC000013650064 181873621 /nfs/dbraw/zinc/87/36/21/181873621.db2.gz CNZUQCVFSIDMKH-CKVFWYFXSA-N 4 0 324.557 2.448 10 0 DEAERP CC(C)[NH+](CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000106453838 194216465 /nfs/dbraw/zinc/21/64/65/194216465.db2.gz CDCBHDDZUPVLHA-SFHVURJKSA-N 2 0 319.493 2.394 10 0 DEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000111131052 194393632 /nfs/dbraw/zinc/39/36/32/194393632.db2.gz HSCGLXMTNNTNTR-SNVBAGLBSA-N 2 0 320.300 2.394 10 0 DEAERP CN(CC[C@@H]([NH3+])c1ccccc1Br)CC[NH+](C)C ZINC000111146723 194395815 /nfs/dbraw/zinc/39/58/15/194395815.db2.gz WOCJDMKDHVZJCH-CQSZACIVSA-N 2 0 314.271 2.332 10 0 DEAERP Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000062092580 184205471 /nfs/dbraw/zinc/20/54/71/184205471.db2.gz YHKPNMZQJSQICL-QGZVFWFLSA-N 2 0 317.477 2.416 10 0 DEAERP CC[NH2+][C@H](c1c(Cl)cnn1CC[NH+](C)C)[C@H]1CCO[C@@H]1C ZINC000125597369 195767601 /nfs/dbraw/zinc/76/76/01/195767601.db2.gz SMOAQSCLFBIWSC-DYEKYZERSA-N 2 0 314.861 2.174 10 0 DEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000359667814 133138281 /nfs/dbraw/zinc/13/82/81/133138281.db2.gz PWKAWYKJCMXOSB-IAGOWNOFSA-N 2 0 307.482 2.195 10 0 DEAERP c1ccc(N2CCOCC2)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563136185 292033519 /nfs/dbraw/zinc/03/35/19/292033519.db2.gz GWQVFCLZWXOCGI-LJQANCHMSA-N 2 0 315.461 2.099 10 0 DEAERP C[N@@H+]1CCC[C@H]2CN(Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613737 145108730 /nfs/dbraw/zinc/10/87/30/145108730.db2.gz DQYLDZGPAQNNPY-XJKSGUPXSA-N 2 0 311.433 2.128 10 0 DEAERP OC1(c2cccnc2)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000248654278 145163301 /nfs/dbraw/zinc/16/33/01/145163301.db2.gz ZJEDPERKRXKVGZ-YBXZHIRMSA-N 2 0 315.461 2.428 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261741718 145222283 /nfs/dbraw/zinc/22/22/83/145222283.db2.gz SFCBOVNBEGAQGH-TWMKSMIVSA-N 2 0 307.482 2.288 10 0 DEAERP C[C@@H](CC(=O)N(CC[NH3+])CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000261774254 145225033 /nfs/dbraw/zinc/22/50/33/145225033.db2.gz RSJYHRMSFHTWQQ-WMZOPIPTSA-N 2 0 317.477 2.042 10 0 DEAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C[C@H]1c1ccccc1 ZINC000261876018 145236295 /nfs/dbraw/zinc/23/62/95/145236295.db2.gz XXBQCARKGNSRMK-WNRNVDISSA-N 2 0 315.461 2.237 10 0 DEAERP C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccc(F)cc1 ZINC000261925191 145242500 /nfs/dbraw/zinc/24/25/00/145242500.db2.gz INXYKXMAQONFBL-QWHCGFSZSA-N 2 0 307.413 2.062 10 0 DEAERP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261976836 145248246 /nfs/dbraw/zinc/24/82/46/145248246.db2.gz RDKWGWAFFCUJEZ-ZSYWTGECSA-N 3 0 323.525 2.244 10 0 DEAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262952152 145313577 /nfs/dbraw/zinc/31/35/77/145313577.db2.gz JSRGJHIZPPXWHR-NUJGCVRESA-N 2 0 307.482 2.275 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000111841714 401725825 /nfs/dbraw/zinc/72/58/25/401725825.db2.gz NPBCOUPBFCOQNA-CVEARBPZSA-N 2 0 324.513 2.280 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000111881135 401726751 /nfs/dbraw/zinc/72/67/51/401726751.db2.gz XNBIQCSNTROXQL-CVEARBPZSA-N 2 0 324.513 2.233 10 0 DEAERP O=C(CN1CCC(n2ccnc2)CC1)Nc1ccccc1F ZINC000111243359 401702813 /nfs/dbraw/zinc/70/28/13/401702813.db2.gz UEOMXBGMTLADOA-UHFFFAOYSA-N 2 0 302.353 2.298 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN(C)c2ccccc2)CC1 ZINC000131467359 401851318 /nfs/dbraw/zinc/85/13/18/401851318.db2.gz LIKICBFOTOMPEU-KRWDZBQOSA-N 2 0 319.493 2.147 10 0 DEAERP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+]2C)c1 ZINC000141299164 401989688 /nfs/dbraw/zinc/98/96/88/401989688.db2.gz PHQROXIBTDLZCA-KRWDZBQOSA-N 2 0 318.465 2.032 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccccc3[nH]2)CC1 ZINC000121137956 402016754 /nfs/dbraw/zinc/01/67/54/402016754.db2.gz JORGPJYKGNGXIF-AWEZNQCLSA-N 2 0 316.449 2.088 10 0 DEAERP COc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123285820 402119935 /nfs/dbraw/zinc/11/99/35/402119935.db2.gz WAICJHOTXARACC-UONOGXRCSA-N 2 0 305.422 2.048 10 0 DEAERP C[C@H](NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000123195726 402115270 /nfs/dbraw/zinc/11/52/70/402115270.db2.gz PBCKJTZFUNWYTI-HZSPNIEDSA-N 2 0 309.479 2.340 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000124382108 402177308 /nfs/dbraw/zinc/17/73/08/402177308.db2.gz KAYPNYNWSMHARA-IAGOWNOFSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@H](C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)[NH+](C)C ZINC000125367097 402227969 /nfs/dbraw/zinc/22/79/69/402227969.db2.gz VOQDMVIAMOGQHU-CZUORRHYSA-N 2 0 300.406 2.390 10 0 DEAERP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccccc3C)C2)CC1 ZINC000107370750 402231859 /nfs/dbraw/zinc/23/18/59/402231859.db2.gz DOQFXLVGIYDVHM-GOSISDBHSA-N 2 0 317.477 2.086 10 0 DEAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000154833335 402234908 /nfs/dbraw/zinc/23/49/08/402234908.db2.gz KZJPVVITJJUPFA-LJQANCHMSA-N 2 0 317.477 2.498 10 0 DEAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COCc2cccs2)CCN1C ZINC000177057837 402365097 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C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246472355 402532484 /nfs/dbraw/zinc/53/24/84/402532484.db2.gz VLQZBYIEUHHENU-LTIDMASMSA-N 2 0 324.513 2.231 10 0 DEAERP CO[C@@H]1C[NH+](C/C=C/C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000251931115 402651579 /nfs/dbraw/zinc/65/15/79/402651579.db2.gz TXEKBEJYXOVQTQ-VLBSHIBISA-N 2 0 310.482 2.256 10 0 DEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263304277 402756414 /nfs/dbraw/zinc/75/64/14/402756414.db2.gz XOWDTJPYYSUREB-QWHCGFSZSA-N 2 0 317.424 2.000 10 0 DEAERP CCC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000194740288 402813805 /nfs/dbraw/zinc/81/38/05/402813805.db2.gz UJJVTDYUPSEONL-QZTJIDSGSA-N 2 0 317.477 2.355 10 0 DEAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195222445 402837693 /nfs/dbraw/zinc/83/76/93/402837693.db2.gz BVQGOTBTTWJRLD-QGZVFWFLSA-N 2 0 316.449 2.450 10 0 DEAERP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516200 402849642 /nfs/dbraw/zinc/84/96/42/402849642.db2.gz OTRKVVRORDNKHV-LSDHHAIUSA-N 2 0 304.438 2.039 10 0 DEAERP c1sc(C2CC2)nc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415054528 404796910 /nfs/dbraw/zinc/79/69/10/404796910.db2.gz NREHFIRUMXEMQG-UHFFFAOYSA-N 2 0 320.506 2.327 10 0 DEAERP O[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000493945597 405615095 /nfs/dbraw/zinc/61/50/95/405615095.db2.gz SCUOUKZKJVHYDR-XBMUEBEBSA-N 2 0 318.461 2.171 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638835521 405702566 /nfs/dbraw/zinc/70/25/66/405702566.db2.gz MELRNTSSYHAFKV-HHXXYDBFSA-N 2 0 315.461 2.013 10 0 DEAERP c1nc2n(n1)[C@H](C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)CC2 ZINC000639451510 406093910 /nfs/dbraw/zinc/09/39/10/406093910.db2.gz QECPAJXAOPPDRT-KRWDZBQOSA-N 2 0 317.481 2.353 10 0 DEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638111670 406574196 /nfs/dbraw/zinc/57/41/96/406574196.db2.gz PENDMGSAMUNQHE-SJLPKXTDSA-N 2 0 313.445 2.014 10 0 DEAERP c1ccc(N2CC[C@H](C[NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000638370180 406731093 /nfs/dbraw/zinc/73/10/93/406731093.db2.gz JHRJUPLFEVDTFC-GOSISDBHSA-N 2 0 317.477 2.215 10 0 DEAERP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000459035113 286861333 /nfs/dbraw/zinc/86/13/33/286861333.db2.gz DGEZZSZBVPMJAH-IRXDYDNUSA-N 2 0 324.513 2.234 10 0 DEAERP C[NH2+][C@@H](Cc1cn2ccsc2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000129212543 196029213 /nfs/dbraw/zinc/02/92/13/196029213.db2.gz WJUDJGJSAOUWEH-FBAPMCOASA-N 2 0 304.463 2.399 10 0 DEAERP CCC[NH2+][C@H](CCCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000129433416 196047341 /nfs/dbraw/zinc/04/73/41/196047341.db2.gz DFGRWIJRKFVPIJ-WTXIUTQJSA-N 2 0 316.511 2.052 10 0 DEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000130518642 196085909 /nfs/dbraw/zinc/08/59/09/196085909.db2.gz FYGHOEIHJHURRL-NEPJUHHUSA-N 2 0 311.392 2.154 10 0 DEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000130519282 196087353 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CC(C)[C@@](C)(O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000186928082 280116324 /nfs/dbraw/zinc/11/63/24/280116324.db2.gz VMTGZMMLOZPTIN-JZXOWHBKSA-N 2 0 312.498 2.215 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000246148803 281197459 /nfs/dbraw/zinc/19/74/59/281197459.db2.gz KBRMEWVKZDRGOZ-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP C[C@@]1(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)CC[NH2+]C1 ZINC000262100088 289163885 /nfs/dbraw/zinc/16/38/85/289163885.db2.gz VMGIBBPPRJVBQS-IEBWSBKVSA-N 2 0 313.445 2.434 10 0 DEAERP CO[C@H]1C[NH+](CCCC[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189302616 333070158 /nfs/dbraw/zinc/07/01/58/333070158.db2.gz NSPVRTBWVKEIMC-XLAORIBOSA-N 2 0 312.498 2.480 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246238728 519842866 /nfs/dbraw/zinc/84/28/66/519842866.db2.gz IPJRKXNUHHJJAH-ZACQAIPSSA-N 2 0 307.482 2.145 10 0 DEAERP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453383351 536300292 /nfs/dbraw/zinc/30/02/92/536300292.db2.gz SMFNWWREVXMGTH-OWLYRPNTSA-N 2 0 315.461 2.296 10 0 DEAERP CN1CCC([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000381921713 685402915 /nfs/dbraw/zinc/40/29/15/685402915.db2.gz OAGFDECSPVMWOU-HIFRSBDPSA-N 2 0 311.470 2.364 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381828618 685402096 /nfs/dbraw/zinc/40/20/96/685402096.db2.gz IAUHGNLFVNYKAL-QXAKKESOSA-N 2 0 320.477 2.273 10 0 DEAERP C[N@H+]1CC=C(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000392194481 685449799 /nfs/dbraw/zinc/44/97/99/685449799.db2.gz QOLCASBBFNGZFE-OAHLLOKOSA-N 2 0 309.454 2.237 10 0 DEAERP C[NH+](C)C1CC([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724083246 777237675 /nfs/dbraw/zinc/23/76/75/777237675.db2.gz QGCLVALAZVCSSX-DNDYEEKYSA-N 2 0 311.470 2.362 10 0 DEAERP C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680049 792984290 /nfs/dbraw/zinc/98/42/90/792984290.db2.gz PYORPDLQIJGXHL-AIPHJMKMSA-N 2 0 320.502 2.396 10 0 DEAERP C[S@](=O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681744 793001214 /nfs/dbraw/zinc/00/12/14/793001214.db2.gz ZACDEFDZIVPLNM-ORGXJRBJSA-N 2 0 320.502 2.398 10 0 DEAERP C[NH+](C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405273702 802048197 /nfs/dbraw/zinc/04/81/97/802048197.db2.gz TWCHOQZRZCHQAS-ZIAGYGMSSA-N 2 0 311.470 2.364 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000079121829 185159601 /nfs/dbraw/zinc/15/96/01/185159601.db2.gz BQNMHLJOGLIKAL-INIZCTEOSA-N 2 0 314.518 2.381 10 0 DEAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247011849 282189642 /nfs/dbraw/zinc/18/96/42/282189642.db2.gz LIKSNCNISWVQCB-GTGZTVCESA-N 2 0 322.497 2.174 10 0 DEAERP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000180647063 539646495 /nfs/dbraw/zinc/64/64/95/539646495.db2.gz VDTHZXGOIYGBSD-OAHLLOKOSA-N 2 0 319.497 2.319 10 0 DEAERP C[NH+](C)Cc1ccc2c(c1)[C@H](C[NH3+])N(CCc1nccs1)C2 ZINC000071683842 191006752 /nfs/dbraw/zinc/00/67/52/191006752.db2.gz KNKQGGKCEDKNFC-INIZCTEOSA-N 2 0 316.474 2.263 10 0 DEAERP C[NH2+][C@@H](C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149572608 186050878 /nfs/dbraw/zinc/05/08/78/186050878.db2.gz VEPAZTZUGDKJFR-HIFRSBDPSA-N 2 0 311.857 2.245 10 0 DEAERP CC[NH2+][C@H](Cc1ccc(CC)s1)C[C@H]1C[N@H+](C)CCN1C ZINC000149690503 186052240 /nfs/dbraw/zinc/05/22/40/186052240.db2.gz IHSIRDAWDRHFBN-GJZGRUSLSA-N 2 0 309.523 2.467 10 0 DEAERP CC[C@H](C)[C@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000159682446 186135352 /nfs/dbraw/zinc/13/53/52/186135352.db2.gz YXVITRKGXAHEEJ-ONGXEEELSA-N 2 0 303.248 2.253 10 0 DEAERP C[N@@H+]1CCCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC1 ZINC000164289972 186154959 /nfs/dbraw/zinc/15/49/59/186154959.db2.gz YULCUMJVFYAQTG-UHFFFAOYSA-N 2 0 300.328 2.131 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000172179141 198053092 /nfs/dbraw/zinc/05/30/92/198053092.db2.gz JWLBDBMIPHLSKL-GJZGRUSLSA-N 2 0 312.502 2.136 10 0 DEAERP C[NH+](C)C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000107899568 355729589 /nfs/dbraw/zinc/72/95/89/355729589.db2.gz NLGMQOQQUDSADN-AWEZNQCLSA-N 2 0 301.356 2.213 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000262679366 356343730 /nfs/dbraw/zinc/34/37/30/356343730.db2.gz VSTVOLDBNXIIEP-QAETUUGQSA-N 2 0 309.498 2.201 10 0 DEAERP [NH3+]C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(Br)s2)O1 ZINC000087048964 192617839 /nfs/dbraw/zinc/61/78/39/192617839.db2.gz YQVWVXKGYMVTLB-BDAKNGLRSA-N 2 0 305.241 2.107 10 0 DEAERP NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000152716952 283353527 /nfs/dbraw/zinc/35/35/27/283353527.db2.gz QRAGLSXMNSREHY-GOEBONIOSA-N 2 0 307.482 2.417 10 0 DEAERP COc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000091392259 193050433 /nfs/dbraw/zinc/05/04/33/193050433.db2.gz JOKVPPQTJRCKHO-ZFWWWQNUSA-N 2 0 311.857 2.374 10 0 DEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000091715922 193097458 /nfs/dbraw/zinc/09/74/58/193097458.db2.gz IFNHBUMHLVYWJL-NSHDSACASA-N 2 0 317.275 2.093 10 0 DEAERP C[N@H+](CCOCC[NH3+])CCOc1c(Cl)cccc1Cl ZINC000629575081 367258085 /nfs/dbraw/zinc/25/80/85/367258085.db2.gz LHAFUEBBOWCSGW-UHFFFAOYSA-N 2 0 307.221 2.279 10 0 DEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@H]1c1ccc(O)c(Cl)c1 ZINC000093382287 193240712 /nfs/dbraw/zinc/24/07/12/193240712.db2.gz OKCRJGBTVZGROO-ZDUSSCGKSA-N 2 0 310.829 2.059 10 0 DEAERP CSC1(C[NH3+])CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094364764 193365701 /nfs/dbraw/zinc/36/57/01/193365701.db2.gz RCELGEAJGCTUJC-ZIAGYGMSSA-N 2 0 316.536 2.197 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105125107 194075721 /nfs/dbraw/zinc/07/57/21/194075721.db2.gz KLJFILVKUUMPDJ-CVEARBPZSA-N 2 0 312.502 2.136 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106457891 284764016 /nfs/dbraw/zinc/76/40/16/284764016.db2.gz JTDRGUWZRJULNL-DOTOQJQBSA-N 2 0 305.466 2.006 10 0 DEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000109752263 194283261 /nfs/dbraw/zinc/28/32/61/194283261.db2.gz FAUSTLJRFQJUQK-LJQANCHMSA-N 2 0 301.478 2.331 10 0 DEAERP C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CC[NH+](C)C ZINC000111130499 194392859 /nfs/dbraw/zinc/39/28/59/194392859.db2.gz SHSXFDGHEZGJJV-SKDRFNHKSA-N 2 0 320.300 2.392 10 0 DEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000111133796 194394660 /nfs/dbraw/zinc/39/46/60/194394660.db2.gz SYUPCDVRNUCMGA-ZDUSSCGKSA-N 2 0 301.381 2.171 10 0 DEAERP C[NH2+]Cc1nc(CN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000062036495 184203104 /nfs/dbraw/zinc/20/31/04/184203104.db2.gz AWIFTAURSHARCS-UHFFFAOYSA-N 2 0 308.495 2.170 10 0 DEAERP CCC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000062899766 184258921 /nfs/dbraw/zinc/25/89/21/184258921.db2.gz JDSXIPVUYCEWNT-XJKSGUPXSA-N 2 0 309.479 2.247 10 0 DEAERP CCc1ccc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000063178297 184276787 /nfs/dbraw/zinc/27/67/87/184276787.db2.gz XTLUYYUBVZOGKD-OLZOCXBDSA-N 2 0 309.479 2.158 10 0 DEAERP CC(C)[NH+]1CCC(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119871010 195051920 /nfs/dbraw/zinc/05/19/20/195051920.db2.gz BPRQKEPNUINQPF-UHFFFAOYSA-N 2 0 309.498 2.343 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1[C@H]([NH3+])C1CCCC1 ZINC000158834258 197305681 /nfs/dbraw/zinc/30/56/81/197305681.db2.gz IDZDFXGQFZNVQZ-GFCCVEGCSA-N 2 0 315.259 2.397 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157380087 285230663 /nfs/dbraw/zinc/23/06/63/285230663.db2.gz VOSQCIRWQLUXOM-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000124313257 195627108 /nfs/dbraw/zinc/62/71/08/195627108.db2.gz ADNXLJJYNBYUFV-BKYIEACKSA-N 2 0 309.498 2.484 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1[C@H]([NH3+])CC[C@@H]1CCCCO1 ZINC000125557243 195763403 /nfs/dbraw/zinc/76/34/03/195763403.db2.gz RUQWPPBERPAXHA-GXTWGEPZSA-N 2 0 314.861 2.447 10 0 DEAERP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373115147 133378003 /nfs/dbraw/zinc/37/80/03/133378003.db2.gz HVLLWIKMGAUQAS-ZWKOTPCHSA-N 2 0 312.498 2.362 10 0 DEAERP c1ccc(-c2noc(CC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000563800519 292073872 /nfs/dbraw/zinc/07/38/72/292073872.db2.gz VFSUOUOGMNWOLP-SFHVURJKSA-N 2 0 312.417 2.355 10 0 DEAERP [NH3+][C@H]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731106 144863752 /nfs/dbraw/zinc/86/37/52/144863752.db2.gz IRCFJJKQBDAJMV-MSOLQXFVSA-N 2 0 315.461 2.142 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246393440 145101782 /nfs/dbraw/zinc/10/17/82/145101782.db2.gz WAIIIIMADSEUJS-WBVHZDCISA-N 2 0 305.466 2.006 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000246966133 145120772 /nfs/dbraw/zinc/12/07/72/145120772.db2.gz FYBSMNJMKRZHRA-IAGOWNOFSA-N 2 0 324.513 2.090 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247385025 145135597 /nfs/dbraw/zinc/13/55/97/145135597.db2.gz FWYUCAGXQGRQKQ-NPYXIHBLSA-N 2 0 322.497 2.175 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)C(F)(F)F)C2)[nH+]1 ZINC000248554489 145158521 /nfs/dbraw/zinc/15/85/21/145158521.db2.gz HTUYBEXSBLBPAT-VXGBXAGGSA-N 2 0 303.328 2.047 10 0 DEAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261549650 145207222 /nfs/dbraw/zinc/20/72/22/145207222.db2.gz OWWSGCVNTPQTPM-HAGHYFMRSA-N 3 0 313.489 2.486 10 0 DEAERP Cn1c(CCN2CC[NH2+]C[C@@H]2c2cccnc2)nc2ccccc21 ZINC000261640683 145212827 /nfs/dbraw/zinc/21/28/27/145212827.db2.gz FQQHNRKBRATSJD-GOSISDBHSA-N 2 0 321.428 2.157 10 0 DEAERP CCCc1ccc([C@@H](C)N(CC(N)=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261797784 145227283 /nfs/dbraw/zinc/22/72/83/145227283.db2.gz GSGJGFRWHNQAGD-WBVHZDCISA-N 2 0 317.477 2.487 10 0 DEAERP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261805745 145228113 /nfs/dbraw/zinc/22/81/13/145228113.db2.gz HIMKKMUELKYRPX-JKSUJKDBSA-N 2 0 301.434 2.337 10 0 DEAERP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261884032 145237885 /nfs/dbraw/zinc/23/78/85/145237885.db2.gz RMBPNZRELVVZHX-MAUKXSAKSA-N 2 0 304.434 2.297 10 0 DEAERP COc1ccc(C[N@@H+]2CCCN(C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261893524 145238405 /nfs/dbraw/zinc/23/84/05/145238405.db2.gz UHZNTVKMBHUUKM-LJQANCHMSA-N 2 0 317.477 2.203 10 0 DEAERP CC1(C)C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000261907831 145240325 /nfs/dbraw/zinc/24/03/25/145240325.db2.gz XEDDNXMUIVWWEG-AWEZNQCLSA-N 2 0 311.376 2.353 10 0 DEAERP C[C@]1(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC[NH2+]C1 ZINC000261918922 145241933 /nfs/dbraw/zinc/24/19/33/145241933.db2.gz BLSSZZDOWHXWGN-LPHOPBHVSA-N 2 0 315.461 2.128 10 0 DEAERP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922027 145242066 /nfs/dbraw/zinc/24/20/66/145242066.db2.gz IAFGLHVIGCCCRS-KGLIPLIRSA-N 2 0 307.413 2.064 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2C[NH2+]C2)C1 ZINC000262223571 145270086 /nfs/dbraw/zinc/27/00/86/145270086.db2.gz KSUREZYQBFKTNT-GASCZTMLSA-N 2 0 315.461 2.000 10 0 DEAERP CCN(C(=O)[C@H](C)C[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262469074 145285951 /nfs/dbraw/zinc/28/59/51/145285951.db2.gz YBAGAEXSJXBNSQ-VYDXJSESSA-N 2 0 303.450 2.265 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073654661 401720220 /nfs/dbraw/zinc/72/02/20/401720220.db2.gz KMQFDLIMKLCUAC-HZPDHXFCSA-N 2 0 312.502 2.233 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132165947 401863265 /nfs/dbraw/zinc/86/32/65/401863265.db2.gz CBDHTNBQNCWUKL-RDJZCZTQSA-N 2 0 324.513 2.136 10 0 DEAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(I)cc1 ZINC000037713732 401916407 /nfs/dbraw/zinc/91/64/07/401916407.db2.gz GYWHQHVXHOLYMX-SECBINFHSA-N 2 0 304.175 2.291 10 0 DEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000106913969 402222398 /nfs/dbraw/zinc/22/23/98/402222398.db2.gz VCEBGTXZHMNTFD-SFHVURJKSA-N 2 0 317.477 2.007 10 0 DEAERP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccccc3C)C2)CC1 ZINC000107370752 402231948 /nfs/dbraw/zinc/23/19/48/402231948.db2.gz DOQFXLVGIYDVHM-SFHVURJKSA-N 2 0 317.477 2.086 10 0 DEAERP C[NH2+]C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000237153082 402396704 /nfs/dbraw/zinc/39/67/04/402396704.db2.gz IFYLCEFWOILLBO-UHFFFAOYSA-N 2 0 301.434 2.106 10 0 DEAERP CC(C)N1CCC[C@H]([N@@H+]2CC[C@H](CNc3ccccn3)C2)C1=O ZINC000177698528 402428043 /nfs/dbraw/zinc/42/80/43/402428043.db2.gz QYUYOEQUDYMLHW-CVEARBPZSA-N 2 0 316.449 2.215 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171078021 402555187 /nfs/dbraw/zinc/55/51/87/402555187.db2.gz SGZAAHZXVSXEGE-MRXNPFEDSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCNC1=O ZINC000179062603 402569146 /nfs/dbraw/zinc/56/91/46/402569146.db2.gz RCYYRSBMRXGORH-RHSMWYFYSA-N 2 0 301.434 2.039 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246196246 402518129 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C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182561828 402699568 /nfs/dbraw/zinc/69/95/68/402699568.db2.gz XRSQEIDHUBIUHX-UXLLHSPISA-N 2 0 322.497 2.033 10 0 DEAERP C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+]1CCCC1 ZINC000174113798 402727059 /nfs/dbraw/zinc/72/70/59/402727059.db2.gz QFJBFTOKSHSMGI-MGNMYUMUSA-N 2 0 322.497 2.033 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193447109 402771107 /nfs/dbraw/zinc/77/11/07/402771107.db2.gz ADBDATLZQIIGOZ-MRXNPFEDSA-N 2 0 324.513 2.234 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000175420552 402805433 /nfs/dbraw/zinc/80/54/33/402805433.db2.gz ZHWBWXXNLKMYNU-UHFFFAOYSA-N 2 0 312.502 2.140 10 0 DEAERP CC1CC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000175475276 402809460 /nfs/dbraw/zinc/80/94/60/402809460.db2.gz RLHCZEZBQYXDOO-ALOPSCKCSA-N 2 0 322.497 2.033 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175159286 402784369 /nfs/dbraw/zinc/78/43/69/402784369.db2.gz KAZLWPJOGCMSCX-OAGGEKHMSA-N 2 0 310.486 2.033 10 0 DEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333384075 403739301 /nfs/dbraw/zinc/73/93/01/403739301.db2.gz NXBHLDXTCWJMAH-JKSUJKDBSA-N 2 0 324.513 2.328 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309768061 403963121 /nfs/dbraw/zinc/96/31/21/403963121.db2.gz ZYBXZFIHHHIHIJ-ROUUACIJSA-N 2 0 315.461 2.014 10 0 DEAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000364027878 404290498 /nfs/dbraw/zinc/29/04/98/404290498.db2.gz JZONRSDQVJMNPW-BWTSREIZSA-N 2 0 321.424 2.006 10 0 DEAERP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000414755050 404724980 /nfs/dbraw/zinc/72/49/80/404724980.db2.gz OOMOGBWWXGQHQY-CEXWTWQISA-N 2 0 301.478 2.424 10 0 DEAERP CC(C)[NH2+]CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379659151 405026987 /nfs/dbraw/zinc/02/69/87/405026987.db2.gz YVKHGQHPTBZVPC-KRWDZBQOSA-N 2 0 303.450 2.155 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382719120 405032376 /nfs/dbraw/zinc/03/23/76/405032376.db2.gz JZYFDELTGKZCRU-APWZRJJASA-N 2 0 315.461 2.252 10 0 DEAERP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000436287246 405067295 /nfs/dbraw/zinc/06/72/95/405067295.db2.gz ISZJYPQYEDTOMW-FZKCQIBNSA-N 2 0 310.388 2.398 10 0 DEAERP c1cc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCOCC2)cs1 ZINC000436282514 405067432 /nfs/dbraw/zinc/06/74/32/405067432.db2.gz RBPIQGSJMMSGHF-UHFFFAOYSA-N 2 0 320.462 2.340 10 0 DEAERP c1cnn(C2CC([NH2+]CC3CC[NH+](C4CCOCC4)CC3)C2)c1 ZINC000639303673 406032968 /nfs/dbraw/zinc/03/29/68/406032968.db2.gz NMJPIEOTZXERQA-UHFFFAOYSA-N 2 0 318.465 2.067 10 0 DEAERP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000635003092 406396048 /nfs/dbraw/zinc/39/60/48/406396048.db2.gz FTZNFNWKZVSGFV-RWQQGDIJSA-N 2 0 301.478 2.342 10 0 DEAERP c1cnc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000635021886 406404867 /nfs/dbraw/zinc/40/48/67/406404867.db2.gz PIAFGGGELJCXDF-OKZBNKHCSA-N 2 0 311.429 2.482 10 0 DEAERP C[C@H]1CC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000525291530 406482696 /nfs/dbraw/zinc/48/26/96/406482696.db2.gz KPEYAJHFLNAAPZ-INIZCTEOSA-N 2 0 315.461 2.354 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638103511 406571618 /nfs/dbraw/zinc/57/16/18/406571618.db2.gz PPPKICJMSOYUNX-ZTFGCOKTSA-N 2 0 313.445 2.203 10 0 DEAERP c1ccc2c(c1)CC[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)C2 ZINC000415061968 228622408 /nfs/dbraw/zinc/62/24/08/228622408.db2.gz ZNDVHPAGIQKCPU-IOJLRTSASA-N 2 0 313.489 2.350 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388680650 424914220 /nfs/dbraw/zinc/91/42/20/424914220.db2.gz VLHLGCXZUFCPPX-MSOLQXFVSA-N 2 0 317.477 2.483 10 0 DEAERP CN(C(=O)c1ccc(C[NH3+])o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390783560 424917621 /nfs/dbraw/zinc/91/76/21/424917621.db2.gz UOMDNTNHJXLLED-OAHLLOKOSA-N 2 0 313.401 2.085 10 0 DEAERP [NH3+]CCC[C@@H]([NH3+])c1cc(I)ccc1F ZINC000575439771 424946774 /nfs/dbraw/zinc/94/67/74/424946774.db2.gz VVYBXGAHFAUART-SNVBAGLBSA-N 2 0 308.138 2.169 10 0 DEAERP CC1=CC[NH+](CCNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358192171 276182765 /nfs/dbraw/zinc/18/27/65/276182765.db2.gz PBOVBVVHYKYFBL-SJORKVTESA-N 2 0 322.497 2.058 10 0 DEAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262391991 278222535 /nfs/dbraw/zinc/22/25/35/278222535.db2.gz BJACYPOSTHOTCS-INIZCTEOSA-N 2 0 307.482 2.099 10 0 DEAERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[NH2+]1 ZINC000262366046 278472802 /nfs/dbraw/zinc/47/28/02/278472802.db2.gz JIDOEKJRCCSEPC-GJZGRUSLSA-N 2 0 307.482 2.288 10 0 DEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261735698 279092034 /nfs/dbraw/zinc/09/20/34/279092034.db2.gz NGHJBUOQUGGKDI-KURKYZTESA-N 2 0 321.509 2.488 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249757508 279158814 /nfs/dbraw/zinc/15/88/14/279158814.db2.gz DYZAAJFZCSHGSS-OWCLPIDISA-N 2 0 312.502 2.136 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000246797678 288308365 /nfs/dbraw/zinc/30/83/65/288308365.db2.gz BRTIDGKNTZSVPK-ZBFHGGJFSA-N 2 0 322.497 2.127 10 0 DEAERP O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171625042 303765985 /nfs/dbraw/zinc/76/59/85/303765985.db2.gz LYYSJQNPZXFJAB-KRWDZBQOSA-N 2 0 322.497 2.132 10 0 DEAERP COC[C@@H](C)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000187657199 332980939 /nfs/dbraw/zinc/98/09/39/332980939.db2.gz AHFVPJYSCRIBJP-SFHVURJKSA-N 2 0 319.493 2.066 10 0 DEAERP CN(C(=O)[C@@]1(C)CCC[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000393945914 337098871 /nfs/dbraw/zinc/09/88/71/337098871.db2.gz FSILUZHYMNZUIE-LJQANCHMSA-N 2 0 315.461 2.252 10 0 DEAERP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000191469171 535199653 /nfs/dbraw/zinc/19/96/53/535199653.db2.gz JZAXSNREEMWISV-UHFFFAOYSA-N 2 0 319.497 2.005 10 0 DEAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554236 535297425 /nfs/dbraw/zinc/29/74/25/535297425.db2.gz UCHCWOOVWMSSQY-DLBZAZTESA-N 2 0 315.461 2.155 10 0 DEAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357898976 535306431 /nfs/dbraw/zinc/30/64/31/535306431.db2.gz DLJFCONVOBBUOF-MRXNPFEDSA-N 2 0 310.486 2.058 10 0 DEAERP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(Br)n1 ZINC000712462698 792188367 /nfs/dbraw/zinc/18/83/67/792188367.db2.gz NFNQYAVDTVXGHL-UHFFFAOYSA-N 2 0 315.259 2.004 10 0 DEAERP COCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623240 792980300 /nfs/dbraw/zinc/98/03/00/792980300.db2.gz YXAKLIFTPGCITK-FHWLQOOXSA-N 2 0 318.461 2.292 10 0 DEAERP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734579 793004836 /nfs/dbraw/zinc/00/48/36/793004836.db2.gz WEPXOBXBVZCEEM-DKIMLUQUSA-N 2 0 315.461 2.154 10 0 DEAERP OC1(CC[NH2+][C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717966168 1081860089 /nfs/dbraw/zinc/86/00/89/1081860089.db2.gz LNSROTKBRBKPIH-QGZVFWFLSA-N 2 0 320.502 2.499 10 0 DEAERP C[C@@H]([NH3+])CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720813059 1086154152 /nfs/dbraw/zinc/15/41/52/1086154152.db2.gz LXWQDILRVMJPSD-HHXXYDBFSA-N 2 0 315.461 2.094 10 0 DEAERP CN1C[C@]2(CCC[N@H+](Cc3cc(C[NH+](C)C)cs3)C2)OC1=O ZINC000072432374 282151029 /nfs/dbraw/zinc/15/10/29/282151029.db2.gz YOUFHOOFGHZSLZ-INIZCTEOSA-N 2 0 323.462 2.226 10 0 DEAERP CC[NH+]1CCN(Cc2ccccc2CNCc2cocn2)CC1 ZINC000192287450 282341129 /nfs/dbraw/zinc/34/11/29/282341129.db2.gz HBXQDVKFRSLENU-UHFFFAOYSA-N 2 0 314.433 2.102 10 0 DEAERP COC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000272676303 210081125 /nfs/dbraw/zinc/08/11/25/210081125.db2.gz LTJKRSCRFXVORD-RYQLBKOJSA-N 2 0 306.450 2.148 10 0 DEAERP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181560304 539652372 /nfs/dbraw/zinc/65/23/72/539652372.db2.gz UAJIMOFGICXXCU-GVDBMIGSSA-N 2 0 312.498 2.407 10 0 DEAERP C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C[NH3+])cc2)CC1 ZINC000071700453 191009538 /nfs/dbraw/zinc/00/95/38/191009538.db2.gz OUFXSLGSMSCYCN-UHFFFAOYSA-N 2 0 324.428 2.149 10 0 DEAERP CC[NH2+][C@H](Cc1cccc(Cl)c1)C[C@H]1C[N@H+](C)CCN1C ZINC000149665973 186051576 /nfs/dbraw/zinc/05/15/76/186051576.db2.gz INYTWMWVZRNVNV-SJORKVTESA-N 2 0 309.885 2.497 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303089418 539861098 /nfs/dbraw/zinc/86/10/98/539861098.db2.gz OSCUAAMTCAPRLS-ZWKOTPCHSA-N 2 0 315.461 2.157 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309693233 539878098 /nfs/dbraw/zinc/87/80/98/539878098.db2.gz CITYAIDGDOODMW-SJORKVTESA-N 2 0 303.450 2.093 10 0 DEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000174128648 198294895 /nfs/dbraw/zinc/29/48/95/198294895.db2.gz ATCRNCJOTVFHKN-QZTJIDSGSA-N 2 0 317.477 2.102 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775382 198383818 /nfs/dbraw/zinc/38/38/18/198383818.db2.gz RRZLUFKENWTZMI-WBVHZDCISA-N 2 0 315.461 2.238 10 0 DEAERP c1ccc(C(c2ccccc2)[NH+]2CC(N3CC[NH2+]CC3)C2)cc1 ZINC000035309311 354163409 /nfs/dbraw/zinc/16/34/09/354163409.db2.gz YJBYVWPJFFLDEA-UHFFFAOYSA-N 2 0 307.441 2.365 10 0 DEAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000400474684 283157742 /nfs/dbraw/zinc/15/77/42/283157742.db2.gz ZHSWEZWMJXQQBZ-OGWHTMIXSA-N 3 0 301.478 2.485 10 0 DEAERP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474199 283156926 /nfs/dbraw/zinc/15/69/26/283156926.db2.gz ZCROUABMQZYINY-JFRXWTBNSA-N 2 0 301.478 2.485 10 0 DEAERP c1cn(-c2csc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)c2)cn1 ZINC000579829920 357038348 /nfs/dbraw/zinc/03/83/48/357038348.db2.gz XXGMRRAATHZXMP-ZDUSSCGKSA-N 2 0 314.418 2.362 10 0 DEAERP CC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179620796 199065957 /nfs/dbraw/zinc/06/59/57/199065957.db2.gz VPICASQSCQVJDY-IAGOWNOFSA-N 2 0 318.465 2.073 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246228031 296069358 /nfs/dbraw/zinc/06/93/58/296069358.db2.gz HKZSRTUWDCFGJC-FJIDUMEYSA-N 2 0 319.493 2.242 10 0 DEAERP CCc1nn(C)c(C[C@@H](CC[NH+](CC)CC)[NH2+]C)c1Cl ZINC000091716082 193097175 /nfs/dbraw/zinc/09/71/75/193097175.db2.gz DVIMNURXGNQMPD-GFCCVEGCSA-N 2 0 300.878 2.498 10 0 DEAERP C[C@]1(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)CC[NH2+]C1 ZINC000262100090 291380255 /nfs/dbraw/zinc/38/02/55/291380255.db2.gz VMGIBBPPRJVBQS-MJGOQNOKSA-N 2 0 313.445 2.434 10 0 DEAERP CCC[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000093065231 193199200 /nfs/dbraw/zinc/19/92/00/193199200.db2.gz YLZKWRAGMOSENR-QGZVFWFLSA-N 2 0 318.465 2.145 10 0 DEAERP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000093523316 193263743 /nfs/dbraw/zinc/26/37/43/193263743.db2.gz HRXLTWZEVKNPEA-SOUVJXGZSA-N 2 0 316.511 2.100 10 0 DEAERP CC[NH2+][C@@H]1[C@@H](C[N@H+](CCCOC)CCOC)CCC1(C)C ZINC000094317437 193359651 /nfs/dbraw/zinc/35/96/51/193359651.db2.gz VJTSVEOXUXTEPZ-HZPDHXFCSA-N 2 0 300.487 2.386 10 0 DEAERP C[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])CC1(C)C ZINC000094334303 193360179 /nfs/dbraw/zinc/36/01/79/193360179.db2.gz QGCUPHFGIBEPJV-UHFFFAOYSA-N 2 0 302.344 2.090 10 0 DEAERP CSC1(C[NH3+])CC[NH+]([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094364766 193365641 /nfs/dbraw/zinc/36/56/41/193365641.db2.gz RCELGEAJGCTUJC-KGLIPLIRSA-N 2 0 316.536 2.197 10 0 DEAERP C[NH+](C)[C@H]1CCN(c2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)C1 ZINC000062965900 184262890 /nfs/dbraw/zinc/26/28/90/184262890.db2.gz GKVRRADKDLOIHV-JTQLQIEISA-N 2 0 300.328 2.130 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000538315125 285031460 /nfs/dbraw/zinc/03/14/60/285031460.db2.gz DPSJNVUGPGBGCY-KRWDZBQOSA-N 2 0 303.450 2.061 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000120596051 195199238 /nfs/dbraw/zinc/19/92/38/195199238.db2.gz DJBJBOFTWIZPHI-GVDBMIGSSA-N 2 0 324.513 2.279 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245678800 285285698 /nfs/dbraw/zinc/28/56/98/285285698.db2.gz GESXQMZGPVEJSR-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP c1cncc(C[N@H+]2CC3(C[C@@H]2COCC2CC2)CC[NH2+]CC3)c1 ZINC000096209817 257133139 /nfs/dbraw/zinc/13/31/39/257133139.db2.gz HTJSGGSEPNXATR-GOSISDBHSA-N 2 0 315.461 2.452 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)cs1 ZINC000234793469 132554396 /nfs/dbraw/zinc/55/43/96/132554396.db2.gz IGGWPDQEHRMEJW-JTQLQIEISA-N 2 0 307.257 2.354 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000362564039 133238908 /nfs/dbraw/zinc/23/89/08/133238908.db2.gz GMSXBLAHRPNXRK-QGZVFWFLSA-N 2 0 309.498 2.345 10 0 DEAERP C[NH+]1CCC(CC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000362781353 133251179 /nfs/dbraw/zinc/25/11/79/133251179.db2.gz MOWUJNOWCRJVLV-UHFFFAOYSA-N 2 0 309.498 2.491 10 0 DEAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1c2ccccc2NC1=O ZINC000246337608 145099638 /nfs/dbraw/zinc/09/96/38/145099638.db2.gz GOXWTUBDSJFYAK-LGWLGOQQSA-N 2 0 301.434 2.431 10 0 DEAERP C[NH+](C)CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C(C)(C)C ZINC000246877131 145117474 /nfs/dbraw/zinc/11/74/74/145117474.db2.gz FWKBSABWECXPGB-HOTGVXAUSA-N 2 0 324.513 2.233 10 0 DEAERP NC(=O)c1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246976239 145121719 /nfs/dbraw/zinc/12/17/19/145121719.db2.gz VRJASDJYINUBIQ-WMZOPIPTSA-N 2 0 313.445 2.234 10 0 DEAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)NC)cc2)[C@@H](C)C1 ZINC000247328625 145133698 /nfs/dbraw/zinc/13/36/98/145133698.db2.gz YIRRGRMDFFYJHQ-WMLDXEAASA-N 2 0 303.450 2.208 10 0 DEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248825657 145169366 /nfs/dbraw/zinc/16/93/66/145169366.db2.gz GWTJAHIRULTFKD-LSDHHAIUSA-N 2 0 303.406 2.142 10 0 DEAERP CCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249824203 145190974 /nfs/dbraw/zinc/19/09/74/145190974.db2.gz IVNTTZAYVMZKIA-WBVHZDCISA-N 2 0 303.450 2.107 10 0 DEAERP C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261638755 145212506 /nfs/dbraw/zinc/21/25/06/145212506.db2.gz DIPSHJOKKNFVSN-SWLSCSKDSA-N 2 0 323.868 2.404 10 0 DEAERP C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261679572 145216175 /nfs/dbraw/zinc/21/61/75/145216175.db2.gz AEOQHUSCGDDYPS-IBGZPJMESA-N 2 0 315.461 2.223 10 0 DEAERP C[C@@H]1C[C@H](CCNC2=[NH+]CCCN2)C[N@@H+]1Cc1ccccc1 ZINC000261862070 145234341 /nfs/dbraw/zinc/23/43/41/145234341.db2.gz NHVGXAAXOQTVDJ-WBVHZDCISA-N 2 0 300.450 2.226 10 0 DEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261868890 145235656 /nfs/dbraw/zinc/23/56/56/145235656.db2.gz XQQUKJDWEHMDID-KZNAEPCWSA-N 2 0 315.461 2.142 10 0 DEAERP C[C@@]1(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261894754 145238650 /nfs/dbraw/zinc/23/86/50/145238650.db2.gz USALHYVTMZXSDC-GOSISDBHSA-N 2 0 319.424 2.020 10 0 DEAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000262114715 145263297 /nfs/dbraw/zinc/26/32/97/145263297.db2.gz LDBJABMDCHJAHA-ABAIWWIYSA-N 2 0 306.406 2.224 10 0 DEAERP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000262650688 145298047 /nfs/dbraw/zinc/29/80/47/145298047.db2.gz QUFABBCTACYHNY-UHFFFAOYSA-N 2 0 301.434 2.170 10 0 DEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262671125 145299336 /nfs/dbraw/zinc/29/93/36/145299336.db2.gz OKUHWZOWCQULCQ-PVAVHDDUSA-N 2 0 315.461 2.456 10 0 DEAERP CCn1c2ccccc2c2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263222085 145337912 /nfs/dbraw/zinc/33/79/12/145337912.db2.gz LZZKCRXEXSQZSZ-FOIQADDNSA-N 2 0 323.440 2.484 10 0 DEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073665117 401719960 /nfs/dbraw/zinc/71/99/60/401719960.db2.gz HUIRHHZJERWGPV-MGNMYUMUSA-N 2 0 322.497 2.175 10 0 DEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000101991626 402160722 /nfs/dbraw/zinc/16/07/22/402160722.db2.gz SSYSCOZYXYUIQA-KRWDZBQOSA-N 2 0 324.513 2.140 10 0 DEAERP CC[NH+](CC)CCN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000157922338 402299937 /nfs/dbraw/zinc/29/99/37/402299937.db2.gz MPXXOJPIIUHILQ-IAGOWNOFSA-N 2 0 311.514 2.149 10 0 DEAERP [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000237961709 402428644 /nfs/dbraw/zinc/42/86/44/402428644.db2.gz ZESMRSPMDOCRHN-ZWKOTPCHSA-N 2 0 315.461 2.416 10 0 DEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237989462 402430656 /nfs/dbraw/zinc/43/06/56/402430656.db2.gz BXOUAXXRKAUOKW-JLSDUUJJSA-N 2 0 319.493 2.430 10 0 DEAERP CC[N@H+](C)C[C@@H]1CCN([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462659 402463492 /nfs/dbraw/zinc/46/34/92/402463492.db2.gz XAXHSPNCIPVSMU-WMZOPIPTSA-N 2 0 315.461 2.374 10 0 DEAERP [NH3+][C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000164536112 402464261 /nfs/dbraw/zinc/46/42/61/402464261.db2.gz DTJKSFPHEIWXKP-ZBFHGGJFSA-N 2 0 319.424 2.034 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000166044433 402481320 /nfs/dbraw/zinc/48/13/20/402481320.db2.gz LVRIWKWSYMZJSY-QXSJWSMHSA-N 2 0 309.498 2.377 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246162064 402514033 /nfs/dbraw/zinc/51/40/33/402514033.db2.gz FAOODDOUAIZTAW-CABCVRRESA-N 2 0 312.502 2.088 10 0 DEAERP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246176510 402515530 /nfs/dbraw/zinc/51/55/30/402515530.db2.gz BQUDBAGSEZVZMP-KURKYZTESA-N 2 0 315.461 2.237 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000246245538 402519492 /nfs/dbraw/zinc/51/94/92/402519492.db2.gz JHXVMGJPGKAEQX-UBDQQSCGSA-N 2 0 315.461 2.283 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000170757480 402521154 /nfs/dbraw/zinc/52/11/54/402521154.db2.gz VNEMZNUDEVWKOF-RDJZCZTQSA-N 2 0 320.481 2.319 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246362015 402527059 /nfs/dbraw/zinc/52/70/59/402527059.db2.gz GQLWYZVXMYHXIL-JYJNAYRXSA-N 2 0 312.502 2.088 10 0 DEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246472384 402532617 /nfs/dbraw/zinc/53/26/17/402532617.db2.gz VLQZBYIEUHHENU-TWMKSMIVSA-N 2 0 324.513 2.231 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000249762042 402641294 /nfs/dbraw/zinc/64/12/94/402641294.db2.gz LSVYGVXAGGDCAF-ULQDDVLXSA-N 2 0 324.513 2.138 10 0 DEAERP O=C1O[C@H](C[N@@H+]2CC[C@H](CNc3ccccn3)C2)CC12CCC2 ZINC000192034369 402706912 /nfs/dbraw/zinc/70/69/12/402706912.db2.gz XMHGRHPHDHQXIV-CABCVRRESA-N 2 0 315.417 2.301 10 0 DEAERP CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000182533642 402697731 /nfs/dbraw/zinc/69/77/31/402697731.db2.gz STMGEKXDADZKKP-RDJZCZTQSA-N 2 0 305.466 2.353 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000173530256 402701905 /nfs/dbraw/zinc/70/19/05/402701905.db2.gz CGLJNARMHAYYAQ-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263295481 402755313 /nfs/dbraw/zinc/75/53/13/402755313.db2.gz WGJZMJMLTZRLHG-GPCCPHFNSA-N 2 0 303.233 2.094 10 0 DEAERP CN1CCC[C@@H]1C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195183 402835865 /nfs/dbraw/zinc/83/58/65/402835865.db2.gz PDGIWWZIJFHUMB-PBHICJAKSA-N 2 0 311.470 2.317 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379655276 405027515 /nfs/dbraw/zinc/02/75/15/405027515.db2.gz LFEJVBXZGBRSBE-OALUTQOASA-N 2 0 319.493 2.385 10 0 DEAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379662727 405027645 /nfs/dbraw/zinc/02/76/45/405027645.db2.gz JCNOBANOLZKXQM-JQHSSLGASA-N 2 0 315.461 2.155 10 0 DEAERP C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000396337312 405056634 /nfs/dbraw/zinc/05/66/34/405056634.db2.gz VTQSLKMOUNSNCR-WMZOPIPTSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400452317 405063546 /nfs/dbraw/zinc/06/35/46/405063546.db2.gz RLDZUHXAJAAYJM-UHOSZYNNSA-N 2 0 301.478 2.486 10 0 DEAERP c1cc(N2CCN(CCC[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC000638458840 405481352 /nfs/dbraw/zinc/48/13/52/405481352.db2.gz AKBNKBAELOSRPS-BCDXTJNWSA-N 2 0 314.477 2.229 10 0 DEAERP CC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851755 405715851 /nfs/dbraw/zinc/71/58/51/405715851.db2.gz RQKZHHQPHNPRRN-SJORKVTESA-N 2 0 303.450 2.285 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457597809 405913544 /nfs/dbraw/zinc/91/35/44/405913544.db2.gz KUTZXQBDIXTKGD-UHFFFAOYSA-N 2 0 321.509 2.489 10 0 DEAERP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCCCCO)C1 ZINC000195258127 225199852 /nfs/dbraw/zinc/19/98/52/225199852.db2.gz JNWTVPWQAOPXMS-OAHLLOKOSA-N 2 0 311.495 2.368 10 0 DEAERP C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000407360414 424932587 /nfs/dbraw/zinc/93/25/87/424932587.db2.gz HEJSZZPGMDHDAC-ZTFGCOKTSA-N 2 0 315.461 2.154 10 0 DEAERP [NH3+]C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000333659879 268972809 /nfs/dbraw/zinc/97/28/09/268972809.db2.gz LKRXWLQSAUFACK-SJORKVTESA-N 2 0 322.497 2.164 10 0 DEAERP Cn1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397513842 269106916 /nfs/dbraw/zinc/10/69/16/269106916.db2.gz QVKIATGQEQIHMU-UHFFFAOYSA-N 2 0 313.445 2.142 10 0 DEAERP CCN(C(=O)[C@H](C)C[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262469068 279009127 /nfs/dbraw/zinc/00/91/27/279009127.db2.gz YBAGAEXSJXBNSQ-BFYDXBDKSA-N 2 0 303.450 2.265 10 0 DEAERP O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171625038 303765963 /nfs/dbraw/zinc/76/59/63/303765963.db2.gz LYYSJQNPZXFJAB-QGZVFWFLSA-N 2 0 322.497 2.132 10 0 DEAERP CC[NH+](CC)CCN(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328625394 528119507 /nfs/dbraw/zinc/11/95/07/528119507.db2.gz DDFOPGHSOOOYQO-FUHWJXTLSA-N 2 0 321.513 2.077 10 0 DEAERP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261788853 535458099 /nfs/dbraw/zinc/45/80/99/535458099.db2.gz SWVQVBPGDOIEFF-AWEZNQCLSA-N 2 0 321.440 2.324 10 0 DEAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262315296 535528138 /nfs/dbraw/zinc/52/81/38/535528138.db2.gz DITWHQSOQYKBCK-INIZCTEOSA-N 2 0 317.477 2.213 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000262561953 536134600 /nfs/dbraw/zinc/13/46/00/536134600.db2.gz VQMGVXCHSMOKAS-CVEARBPZSA-N 2 0 303.450 2.184 10 0 DEAERP C[C@H](CN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1)[NH+](C)C ZINC000757136035 623090085 /nfs/dbraw/zinc/09/00/85/623090085.db2.gz YHYZNWNOABYIAF-GFCCVEGCSA-N 2 0 308.426 2.232 10 0 DEAERP CC(C)OC[C@@H](O)C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000381767838 685401952 /nfs/dbraw/zinc/40/19/52/685401952.db2.gz PDPDPRQRNMROIQ-RBUKOAKNSA-N 2 0 320.477 2.274 10 0 DEAERP O[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638690 792981919 /nfs/dbraw/zinc/98/19/19/792981919.db2.gz PUYHTDDGTYRZBK-VMXHOPILSA-N 2 0 300.446 2.400 10 0 DEAERP OC1(CC[NH2+]C2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717976625 1081855132 /nfs/dbraw/zinc/85/51/32/1081855132.db2.gz SKZXENTZCWDHCZ-UHFFFAOYSA-N 2 0 318.461 2.172 10 0 DEAERP CCOC[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717987496 1081855763 /nfs/dbraw/zinc/85/57/63/1081855763.db2.gz YLIGJYUTBUDIME-KRWDZBQOSA-N 2 0 320.477 2.418 10 0 DEAERP [NH3+]C[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000720843580 1086289553 /nfs/dbraw/zinc/28/95/53/1086289553.db2.gz IPKRCLOVFDJUBC-DTWKUNHWSA-N 2 0 308.266 2.024 10 0 DEAERP C[C@@]12CN(CC34CC(C3)C[NH2+]4)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702052842 1086402105 /nfs/dbraw/zinc/40/21/05/1086402105.db2.gz AJBRFOPOIKDTBD-FUFFSDJGSA-N 2 0 311.473 2.192 10 0 DEAERP C[C@]12CN(C[C@H]3CCC[NH2+]C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702087769 1086406778 /nfs/dbraw/zinc/40/67/78/1086406778.db2.gz ZYTGHXZYNIMSBY-ZCNNSNEGSA-N 2 0 313.489 2.440 10 0 DEAERP C[C@@H]([NH3+])Cc1cc(Br)ccc1OCC[NH+](C)C ZINC000037725173 190665282 /nfs/dbraw/zinc/66/52/82/190665282.db2.gz YFSVVURPEKUZJK-SNVBAGLBSA-N 2 0 301.228 2.279 10 0 DEAERP Cc1ccc([C@H](C[NH3+])N(C)CC[NH+](C)C)c(Br)c1 ZINC000164076618 186148063 /nfs/dbraw/zinc/14/80/63/186148063.db2.gz UBGFEYQJYDDCHW-AWEZNQCLSA-N 2 0 314.271 2.251 10 0 DEAERP C[C@@H]1CCC[C@@]([NH3+])(C(=O)c2c(Cl)cnn2CC[NH+](C)C)C1 ZINC000164351532 186157045 /nfs/dbraw/zinc/15/70/45/186157045.db2.gz YCPCJGDNVMJZCH-ABAIWWIYSA-N 2 0 312.845 2.188 10 0 DEAERP NC(=[NH2+])c1ccc(NCCCNc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000001552535 180872393 /nfs/dbraw/zinc/87/23/93/180872393.db2.gz ULZAPTUUAYXQCK-UHFFFAOYSA-N 2 0 310.405 2.169 10 0 DEAERP [NH3+]C1(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000398078024 540140626 /nfs/dbraw/zinc/14/06/26/540140626.db2.gz MKUIAMZXJFESSP-ALOPSCKCSA-N 2 0 313.445 2.180 10 0 DEAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182053463 356106923 /nfs/dbraw/zinc/10/69/23/356106923.db2.gz KTZXWNRAOYTVEH-MSOLQXFVSA-N 2 0 303.494 2.481 10 0 DEAERP C[NH+](C)CCOCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000447593601 239034195 /nfs/dbraw/zinc/03/41/95/239034195.db2.gz TXKKEVOHDALHSV-WMZOPIPTSA-N 2 0 306.450 2.322 10 0 DEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1csc(Br)c1 ZINC000091313904 193037801 /nfs/dbraw/zinc/03/78/01/193037801.db2.gz XCXUFJWSQPVBKB-NSHDSACASA-N 2 0 319.268 2.321 10 0 DEAERP COc1ccc([C@H](C[NH3+])N2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000091392258 193049980 /nfs/dbraw/zinc/04/99/80/193049980.db2.gz JOKVPPQTJRCKHO-HIFRSBDPSA-N 2 0 311.857 2.374 10 0 DEAERP CC[NH+](CC)CC[C@@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000091715923 193097493 /nfs/dbraw/zinc/09/74/93/193097493.db2.gz IFNHBUMHLVYWJL-LLVKDONJSA-N 2 0 317.275 2.093 10 0 DEAERP CCC[NH2+]C1CCC([N@H+](C)CCCS(=O)(=O)CC)CC1 ZINC000091870130 193121048 /nfs/dbraw/zinc/12/10/48/193121048.db2.gz SCRYBDNQLDWRSF-UHFFFAOYSA-N 2 0 304.500 2.054 10 0 DEAERP O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)NC1CCCCC1 ZINC000624483802 365439148 /nfs/dbraw/zinc/43/91/48/365439148.db2.gz IJTLAXGOMRYZNF-HNNXBMFYSA-N 2 0 316.449 2.264 10 0 DEAERP c1cc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc2c1OCO2 ZINC000631886511 368441944 /nfs/dbraw/zinc/44/19/44/368441944.db2.gz IGUBFAAKIQMPJT-HOCLYGCPSA-N 2 0 318.417 2.258 10 0 DEAERP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc2c1OCCO2 ZINC000093088829 193202145 /nfs/dbraw/zinc/20/21/45/193202145.db2.gz VERNPBDRBGLGER-UHFFFAOYSA-N 2 0 320.433 2.240 10 0 DEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@@H]1c1c(F)cccc1Cl ZINC000093382177 193240664 /nfs/dbraw/zinc/24/06/64/193240664.db2.gz JXWYDXZAIVOYIC-CYBMUJFWSA-N 2 0 312.820 2.492 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@]1(c1ccc(Cl)cc1)C1CC1 ZINC000093374740 193240839 /nfs/dbraw/zinc/24/08/39/193240839.db2.gz MOOYGCICLCNUJA-MRXNPFEDSA-N 2 0 306.841 2.137 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000093374624 193241121 /nfs/dbraw/zinc/24/11/21/193241121.db2.gz XSTAQCQDHHHNCX-LBPRGKRZSA-N 2 0 301.221 2.226 10 0 DEAERP CC[NH2+][C@]1(CO)CCC[C@@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093783417 193307707 /nfs/dbraw/zinc/30/77/07/193307707.db2.gz WARFXYYHWFUUQR-IAGOWNOFSA-N 2 0 300.487 2.407 10 0 DEAERP C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)CC1CC[NH2+]CC1 ZINC000094024722 193340331 /nfs/dbraw/zinc/34/03/31/193340331.db2.gz OOWBLSNKHBHTOL-UHFFFAOYSA-N 2 0 313.804 2.349 10 0 DEAERP CC(C)[C@H](C[NH2+][C@H]1CSCCC1(C)C)N1CC[NH+](C)CC1 ZINC000094483454 193372937 /nfs/dbraw/zinc/37/29/37/193372937.db2.gz NQYBEADCCLSQSM-HOTGVXAUSA-N 2 0 313.555 2.380 10 0 DEAERP CCC[NH2+][C@](C)(CO)CCCC[N@H+](C)CCOCC1CC1 ZINC000094995622 193412383 /nfs/dbraw/zinc/41/23/83/193412383.db2.gz KRVNTYWURMRUDU-KRWDZBQOSA-N 2 0 300.487 2.266 10 0 DEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccccc2Br)CC1 ZINC000019439086 182122861 /nfs/dbraw/zinc/12/28/61/182122861.db2.gz SSZRZESPXZXZSM-CQSZACIVSA-N 2 0 312.255 2.086 10 0 DEAERP COc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000153582706 291573410 /nfs/dbraw/zinc/57/34/10/291573410.db2.gz DTBJTAFTUPLJAV-CABCVRRESA-N 2 0 323.456 2.368 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000458454330 248317555 /nfs/dbraw/zinc/31/75/55/248317555.db2.gz JZHULWAAQAVCJB-KRWDZBQOSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000043019826 183329195 /nfs/dbraw/zinc/32/91/95/183329195.db2.gz RUDLLMYILNSNLF-FZMZJTMJSA-N 2 0 312.255 2.085 10 0 DEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000111132891 194394724 /nfs/dbraw/zinc/39/47/24/194394724.db2.gz PGFBFESCGMRAHV-CYBMUJFWSA-N 2 0 305.344 2.078 10 0 DEAERP CCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000061655611 184180840 /nfs/dbraw/zinc/18/08/40/184180840.db2.gz QNWDSYYEXBEXSK-CYBMUJFWSA-N 2 0 308.495 2.488 10 0 DEAERP C[NH+](C)C1CCN([C@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062710085 184248712 /nfs/dbraw/zinc/24/87/12/184248712.db2.gz QVYDTSVQQNYRTP-CQSZACIVSA-N 2 0 301.356 2.130 10 0 DEAERP CC(C)[NH2+]Cc1c(N2CC[C@H]([NH+](C)C)C2)nc2sccn12 ZINC000062967170 184263623 /nfs/dbraw/zinc/26/36/23/184263623.db2.gz UXSGJFFISZOTDH-LBPRGKRZSA-N 2 0 307.467 2.034 10 0 DEAERP C[C@H](CC[NH+]1CCN(CC(F)(F)F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000156287559 197101939 /nfs/dbraw/zinc/10/19/39/197101939.db2.gz WQPWHDCTGFLBMO-ZIAGYGMSSA-N 2 0 307.404 2.192 10 0 DEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000542746541 285247102 /nfs/dbraw/zinc/24/71/02/285247102.db2.gz SOAFVSRIVBWSPI-MRXNPFEDSA-N 2 0 312.502 2.234 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000544537596 285355597 /nfs/dbraw/zinc/35/55/97/285355597.db2.gz XPMGFWDSMOBMCI-UHFFFAOYSA-N 2 0 322.453 2.042 10 0 DEAERP C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000188076531 533357286 /nfs/dbraw/zinc/35/72/86/533357286.db2.gz ALNNTBZMGDKZCR-OAHLLOKOSA-N 2 0 306.450 2.440 10 0 DEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671547 133194166 /nfs/dbraw/zinc/19/41/66/133194166.db2.gz LHMHLZLIKKJXCC-VQIMIIECSA-N 2 0 315.461 2.411 10 0 DEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC4OCCO4)C[C@@H]3C2)cc1 ZINC000377778133 133346580 /nfs/dbraw/zinc/34/65/80/133346580.db2.gz OWABDGDJTJUHHI-ROUUACIJSA-N 2 0 316.445 2.203 10 0 DEAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373115146 133378482 /nfs/dbraw/zinc/37/84/82/133378482.db2.gz HVLLWIKMGAUQAS-ROUUACIJSA-N 2 0 312.498 2.362 10 0 DEAERP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000121028520 144678391 /nfs/dbraw/zinc/67/83/91/144678391.db2.gz WKRSWCSWQMTFKE-HNNXBMFYSA-N 2 0 324.490 2.195 10 0 DEAERP CC(C)[NH2+]CCN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191536035 145060182 /nfs/dbraw/zinc/06/01/82/145060182.db2.gz WQNXNTPDUGZTSL-CALCHBBNSA-N 3 0 311.514 2.196 10 0 DEAERP COc1cccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246568925 145106675 /nfs/dbraw/zinc/10/66/75/145106675.db2.gz FJTOXPJCSKGYLQ-MAUKXSAKSA-N 2 0 304.434 2.490 10 0 DEAERP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549156 145207275 /nfs/dbraw/zinc/20/72/75/145207275.db2.gz OGTAHBCRDAIHPY-SQNIBIBYSA-N 2 0 315.461 2.237 10 0 DEAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554240 145207994 /nfs/dbraw/zinc/20/79/94/145207994.db2.gz UCHCWOOVWMSSQY-IRXDYDNUSA-N 2 0 315.461 2.155 10 0 DEAERP Cn1c2ccc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cc2sc1=O ZINC000261642306 145213267 /nfs/dbraw/zinc/21/32/67/145213267.db2.gz AIXMIYDXXDOFSQ-CYBMUJFWSA-N 2 0 305.447 2.174 10 0 DEAERP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261661173 145214409 /nfs/dbraw/zinc/21/44/09/145214409.db2.gz GHUKOYQPZOIMIU-OAHLLOKOSA-N 2 0 311.429 2.264 10 0 DEAERP C[C@]1(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261707706 145219004 /nfs/dbraw/zinc/21/90/04/145219004.db2.gz DFRJZWWUPLCBEQ-SFHVURJKSA-N 2 0 305.441 2.333 10 0 DEAERP Cn1ccnc1C[N@H+](C[C@@H]1CCSC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261948725 145245556 /nfs/dbraw/zinc/24/55/56/145245556.db2.gz NQLXXYDOIZOAFD-LSDHHAIUSA-N 2 0 320.506 2.117 10 0 DEAERP Cc1cc(C(=O)NC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c(C)o1 ZINC000262055323 145257763 /nfs/dbraw/zinc/25/77/63/145257763.db2.gz QPSOTHAEEYSEPC-SFHVURJKSA-N 2 0 319.449 2.090 10 0 DEAERP O=C(CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000262118769 145263918 /nfs/dbraw/zinc/26/39/18/145263918.db2.gz NCFMGDWLXKLELC-QGZVFWFLSA-N 2 0 319.424 2.175 10 0 DEAERP O=C(CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000262118768 145264111 /nfs/dbraw/zinc/26/41/11/145264111.db2.gz NCFMGDWLXKLELC-KRWDZBQOSA-N 2 0 319.424 2.175 10 0 DEAERP C[C@@H](Cc1nc(-c2ccc(C[NH3+])cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000262142808 145265919 /nfs/dbraw/zinc/26/59/19/145265919.db2.gz ZFJREBDFIGZWFQ-WFASDCNBSA-N 2 0 300.406 2.374 10 0 DEAERP CC1(C)CCC[NH2+][C@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262347665 145277901 /nfs/dbraw/zinc/27/79/01/145277901.db2.gz IPSNHGGFBZCEAX-LXINESAQSA-N 2 0 307.482 2.034 10 0 DEAERP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000305877604 145348734 /nfs/dbraw/zinc/34/87/34/145348734.db2.gz SBKSOJPCISNBDD-KZNAEPCWSA-N 2 0 300.446 2.402 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000358660986 147175932 /nfs/dbraw/zinc/17/59/32/147175932.db2.gz HHZQSEHAGACRBL-INIZCTEOSA-N 2 0 322.497 2.010 10 0 DEAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000370763213 148053538 /nfs/dbraw/zinc/05/35/38/148053538.db2.gz HBLJMKFFOJRCMX-KZNAEPCWSA-N 2 0 315.461 2.142 10 0 DEAERP CC1CC[NH+](CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000126749465 401706820 /nfs/dbraw/zinc/70/68/20/401706820.db2.gz FOOOSEAKZIUWQQ-QGZVFWFLSA-N 2 0 303.450 2.137 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000119097552 401925767 /nfs/dbraw/zinc/92/57/67/401925767.db2.gz JLHPBPRCYZJLEY-VXLLPVPCSA-N 2 0 324.513 2.231 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119674628 401962605 /nfs/dbraw/zinc/96/26/05/401962605.db2.gz VWIFHMUHEDWBTC-OFLPRAFFSA-N 2 0 324.513 2.280 10 0 DEAERP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COCc2ccccc2)CC1 ZINC000151332523 402030042 /nfs/dbraw/zinc/03/00/42/402030042.db2.gz LDBRQMLIVKPGMQ-IBGZPJMESA-N 2 0 320.477 2.370 10 0 DEAERP C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(-n2ccnc2)c1 ZINC000151666310 402049346 /nfs/dbraw/zinc/04/93/46/402049346.db2.gz LNETZLAMQRECDQ-CYBMUJFWSA-N 2 0 313.405 2.066 10 0 DEAERP Cc1cc(N2CCO[C@H](C[NH+](C)C)C2)c2cccc(F)c2n1 ZINC000124920331 402203610 /nfs/dbraw/zinc/20/36/10/402203610.db2.gz BMNRPBQTGAFJQC-CYBMUJFWSA-N 2 0 303.381 2.449 10 0 DEAERP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@H+](C)C1CC1 ZINC000107846994 402241820 /nfs/dbraw/zinc/24/18/20/402241820.db2.gz XEONCICDCHSYCI-DOTOQJQBSA-N 2 0 322.497 2.129 10 0 DEAERP CNC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000109005051 402266882 /nfs/dbraw/zinc/26/68/82/402266882.db2.gz NNBTZILHADKZQN-UHFFFAOYSA-N 2 0 315.461 2.354 10 0 DEAERP CC[NH+](CC)C[C@@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185013503 402316842 /nfs/dbraw/zinc/31/68/42/402316842.db2.gz GQGHEMWJXUKKEY-AWEZNQCLSA-N 2 0 317.437 2.239 10 0 DEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236655618 402371787 /nfs/dbraw/zinc/37/17/87/402371787.db2.gz CNGXBZDAGKWUDJ-RHSMWYFYSA-N 2 0 303.450 2.270 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1CCC[NH+]1CC ZINC000245429924 402459783 /nfs/dbraw/zinc/45/97/83/402459783.db2.gz ZHIOVCBDXQVXGY-IAGOWNOFSA-N 2 0 324.513 2.377 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245908996 402496224 /nfs/dbraw/zinc/49/62/24/402496224.db2.gz IRVXNKGVUTUXIO-DLBZAZTESA-N 2 0 324.513 2.377 10 0 DEAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000187602204 402506087 /nfs/dbraw/zinc/50/60/87/402506087.db2.gz RNMYYINEJHCFAC-HNNXBMFYSA-N 2 0 306.450 2.015 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171078025 402555207 /nfs/dbraw/zinc/55/52/07/402555207.db2.gz SGZAAHZXVSXEGE-INIZCTEOSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000246553929 402536591 /nfs/dbraw/zinc/53/65/91/402536591.db2.gz YSTNGUSBCVTXCM-YYIAUSFCSA-N 2 0 324.513 2.231 10 0 DEAERP O[C@@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387130 402583141 /nfs/dbraw/zinc/58/31/41/402583141.db2.gz FDIKWPAVZNWBKX-IBGZPJMESA-N 2 0 302.462 2.398 10 0 DEAERP CO[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000248406289 402589124 /nfs/dbraw/zinc/58/91/24/402589124.db2.gz BAHSGLPXPZUSRG-VQIMIIECSA-N 2 0 320.477 2.399 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248430549 402590389 /nfs/dbraw/zinc/59/03/89/402590389.db2.gz AXLMHIWOZUMYRE-JKSUJKDBSA-N 2 0 310.486 2.034 10 0 DEAERP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000250144335 402645419 /nfs/dbraw/zinc/64/54/19/402645419.db2.gz ZOPBPAFJSRKFJR-PVAVHDDUSA-N 2 0 303.450 2.184 10 0 DEAERP C[C@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000182701004 402710254 /nfs/dbraw/zinc/71/02/54/402710254.db2.gz NDQOWBKCVSXMAH-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261805678 402717795 /nfs/dbraw/zinc/71/77/95/402717795.db2.gz HIATWQWKUNETJQ-IAGOWNOFSA-N 2 0 308.466 2.430 10 0 DEAERP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000261876282 402718941 /nfs/dbraw/zinc/71/89/41/402718941.db2.gz SGDWMWWLLYGFKD-KRWDZBQOSA-N 2 0 315.461 2.288 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000173278402 402690747 /nfs/dbraw/zinc/69/07/47/402690747.db2.gz UTYDXSMHXXUJFT-HIFRSBDPSA-N 2 0 324.513 2.420 10 0 DEAERP COc1cccc2c1CC[C@H]([NH2+]CCCC[NH+]1CCOCC1)C2 ZINC000192439376 402728826 /nfs/dbraw/zinc/72/88/26/402728826.db2.gz IBDARMKSPCWJAC-KRWDZBQOSA-N 2 0 318.461 2.255 10 0 DEAERP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000174164073 402729503 /nfs/dbraw/zinc/72/95/03/402729503.db2.gz GTLVTKAHVFDSOB-GOEBONIOSA-N 2 0 324.513 2.373 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)CCC1 ZINC000175005709 402770844 /nfs/dbraw/zinc/77/08/44/402770844.db2.gz OYDDSPHILNQRGO-MRXNPFEDSA-N 2 0 324.513 2.234 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)[nH+]1 ZINC000175252805 402791572 /nfs/dbraw/zinc/79/15/72/402791572.db2.gz PUXDFTZAGUYNFQ-HOTGVXAUSA-N 2 0 318.465 2.379 10 0 DEAERP CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000194740234 402813556 /nfs/dbraw/zinc/81/35/56/402813556.db2.gz UJJVTDYUPSEONL-ROUUACIJSA-N 2 0 317.477 2.355 10 0 DEAERP C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000175809662 402834550 /nfs/dbraw/zinc/83/45/50/402834550.db2.gz HFBWPVRERVVNHQ-DOTOQJQBSA-N 2 0 319.493 2.252 10 0 DEAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000184468899 402845577 /nfs/dbraw/zinc/84/55/77/402845577.db2.gz JGYSOZDBWGPERG-INIZCTEOSA-N 2 0 312.502 2.234 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333331885 403726863 /nfs/dbraw/zinc/72/68/63/403726863.db2.gz WIHQMBKWZIVUBD-NYNFEOTOSA-N 2 0 313.445 2.407 10 0 DEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000360894942 404847401 /nfs/dbraw/zinc/84/74/01/404847401.db2.gz SMYZCRXBFLYKHZ-QGZVFWFLSA-N 2 0 321.440 2.248 10 0 DEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000390537812 405046380 /nfs/dbraw/zinc/04/63/80/405046380.db2.gz GOLMABIOUOTEAE-CTWPCTMYSA-N 2 0 317.477 2.137 10 0 DEAERP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000396436393 405056885 /nfs/dbraw/zinc/05/68/85/405056885.db2.gz ZVLDZIIDMRRVAU-MRXNPFEDSA-N 2 0 323.440 2.492 10 0 DEAERP COC1([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)CCOCC1 ZINC000453074901 405281311 /nfs/dbraw/zinc/28/13/11/405281311.db2.gz OUOUHWXAZSVBIJ-OAHLLOKOSA-N 2 0 306.450 2.422 10 0 DEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000452782652 405242191 /nfs/dbraw/zinc/24/21/91/405242191.db2.gz YWCZSTMLNCMJPJ-KRWDZBQOSA-N 2 0 309.498 2.345 10 0 DEAERP c1c2cccnc2oc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000449008444 405495440 /nfs/dbraw/zinc/49/54/40/405495440.db2.gz DLVCYONCFVGOET-UHFFFAOYSA-N 2 0 315.417 2.372 10 0 DEAERP C1=CC[C@H](CC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC000527979435 405467415 /nfs/dbraw/zinc/46/74/15/405467415.db2.gz FSWYARYUPNCQCM-SFHVURJKSA-N 2 0 321.509 2.119 10 0 DEAERP C1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2(C1)CCOCC2 ZINC000423512401 405833279 /nfs/dbraw/zinc/83/32/79/405833279.db2.gz QETWUEAHTQNLES-DAWZGUTISA-N 2 0 321.509 2.142 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118545 406578877 /nfs/dbraw/zinc/57/88/77/406578877.db2.gz AKHSFJKQKXDBTQ-MAUKXSAKSA-N 2 0 315.461 2.013 10 0 DEAERP C[NH2+][C@H](Cc1cn2ccsc2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000129212756 196029530 /nfs/dbraw/zinc/02/95/30/196029530.db2.gz WJUDJGJSAOUWEH-CHEQUFIKSA-N 2 0 304.463 2.399 10 0 DEAERP C[C@@H]([NH3+])Cc1cc(OCC[NH+](C)C)ccc1Br ZINC000129313278 196038511 /nfs/dbraw/zinc/03/85/11/196038511.db2.gz BQNFCTUYWDBBSK-SNVBAGLBSA-N 2 0 301.228 2.279 10 0 DEAERP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390777117 424917539 /nfs/dbraw/zinc/91/75/39/424917539.db2.gz OBPKHNKXGSURSA-WBVHZDCISA-N 2 0 303.450 2.142 10 0 DEAERP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000390775607 424917757 /nfs/dbraw/zinc/91/77/57/424917757.db2.gz MRIDKQYILKLNCK-WBVHZDCISA-N 2 0 303.450 2.013 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398030056 424922241 /nfs/dbraw/zinc/92/22/41/424922241.db2.gz GEXGMBFRZXHPBN-HYVNUMGLSA-N 2 0 303.450 2.139 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309593277 424893293 /nfs/dbraw/zinc/89/32/93/424893293.db2.gz PJGAUINUXJEDEE-SJORKVTESA-N 2 0 303.450 2.141 10 0 DEAERP [NH3+]CCCC[C@H]([NH3+])c1ccccc1I ZINC000575439586 424946787 /nfs/dbraw/zinc/94/67/87/424946787.db2.gz TWCLFSYQIKQQGJ-NSHDSACASA-N 2 0 304.175 2.420 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000174164087 267491163 /nfs/dbraw/zinc/49/11/63/267491163.db2.gz GTLVTKAHVFDSOB-ZBFHGGJFSA-N 2 0 324.513 2.373 10 0 DEAERP CC[NH+](CC)CC1CC[NH+](Cc2cccc(C(=O)OC)n2)CC1 ZINC000515345758 269350108 /nfs/dbraw/zinc/35/01/08/269350108.db2.gz ZHZNAEKZSFVKOQ-UHFFFAOYSA-N 2 0 319.449 2.422 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172560962 276166561 /nfs/dbraw/zinc/16/65/61/276166561.db2.gz KINUTIJARRCHCD-MRXNPFEDSA-N 2 0 322.497 2.131 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000157763758 277385459 /nfs/dbraw/zinc/38/54/59/277385459.db2.gz QGJWYDZGUWQIKZ-WBVHZDCISA-N 2 0 324.513 2.135 10 0 DEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000261735699 279092082 /nfs/dbraw/zinc/09/20/82/279092082.db2.gz NGHJBUOQUGGKDI-SQNIBIBYSA-N 2 0 321.509 2.488 10 0 DEAERP C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000188067242 533831912 /nfs/dbraw/zinc/83/19/12/533831912.db2.gz KDFGBQODABOZRT-HNNXBMFYSA-N 2 0 306.450 2.440 10 0 DEAERP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249098063 525001243 /nfs/dbraw/zinc/00/12/43/525001243.db2.gz UIIOSEYSKQWTLX-IZVVFDKHSA-N 2 0 315.461 2.282 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000191451167 535199564 /nfs/dbraw/zinc/19/95/64/535199564.db2.gz VKXFRMKGBBNPEH-ROUUACIJSA-N 2 0 309.498 2.046 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000176296224 535352155 /nfs/dbraw/zinc/35/21/55/535352155.db2.gz WIIXEGYPZANUCG-KRWDZBQOSA-N 2 0 324.513 2.234 10 0 DEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262563197 535560479 /nfs/dbraw/zinc/56/04/79/535560479.db2.gz RAPIRBMRKOHZPO-CQSZACIVSA-N 2 0 319.449 2.201 10 0 DEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])ccc1F ZINC000263045962 535989266 /nfs/dbraw/zinc/98/92/66/535989266.db2.gz UAOAGLWQXOWUCZ-YJBOKZPZSA-N 2 0 321.440 2.411 10 0 DEAERP C[C@@H]([NH2+]Cc1ncc(Br)s1)C1CC[NH2+]CC1 ZINC000714952805 792374991 /nfs/dbraw/zinc/37/49/91/792374991.db2.gz VSAORCPDAZEECB-MRVPVSSYSA-N 2 0 304.257 2.383 10 0 DEAERP OCCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623370 792981297 /nfs/dbraw/zinc/98/12/97/792981297.db2.gz ZWKYYGZAPJUSIS-OTWHNJEPSA-N 2 0 318.461 2.028 10 0 DEAERP CC[C@H](COC)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717985597 1081856388 /nfs/dbraw/zinc/85/63/88/1081856388.db2.gz PYHMECIJPUTFDV-GOSISDBHSA-N 2 0 320.477 2.418 10 0 DEAERP C[C@]1(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000702096123 1086403213 /nfs/dbraw/zinc/40/32/13/1086403213.db2.gz OCQJHIJYZJKNOS-SLFFLAALSA-N 2 0 313.489 2.440 10 0 DEAERP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000711285769 1087042950 /nfs/dbraw/zinc/04/29/50/1087042950.db2.gz XMSHGROYCKEGQV-IAGOWNOFSA-N 2 0 315.461 2.013 10 0 DEAERP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711440668 1087112717 /nfs/dbraw/zinc/11/27/17/1087112717.db2.gz UTORJFFKSFANJJ-KFWWJZLASA-N 2 0 311.470 2.221 10 0 DEAERP [NH3+]Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088417763 185249274 /nfs/dbraw/zinc/24/92/74/185249274.db2.gz PIYDQUASZNARBM-UONOGXRCSA-N 2 0 302.340 2.453 10 0 DEAERP C[C@H]1CCC[C@@]([NH3+])(C(=O)c2c(Cl)cnn2CC[NH+](C)C)C1 ZINC000164351666 186156893 /nfs/dbraw/zinc/15/68/93/186156893.db2.gz YCPCJGDNVMJZCH-NHYWBVRUSA-N 2 0 312.845 2.188 10 0 DEAERP Cc1ccc([C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000174782997 198384789 /nfs/dbraw/zinc/38/47/89/198384789.db2.gz FYNKWPTVMJZTOS-APWZRJJASA-N 2 0 320.477 2.053 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236770317 202001392 /nfs/dbraw/zinc/00/13/92/202001392.db2.gz RWJIOZAMYPVXNB-QGZVFWFLSA-N 2 0 303.450 2.315 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247284920 283059506 /nfs/dbraw/zinc/05/95/06/283059506.db2.gz KMWDQEHRGAQEDT-IXDOHACOSA-N 2 0 324.513 2.088 10 0 DEAERP OC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000169782455 355982768 /nfs/dbraw/zinc/98/27/68/355982768.db2.gz LLGALHSVMASNGU-KRWDZBQOSA-N 2 0 315.461 2.140 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000171239810 356000049 /nfs/dbraw/zinc/00/00/49/356000049.db2.gz MQEHNKXCPORFMP-MRXNPFEDSA-N 2 0 312.502 2.282 10 0 DEAERP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182053441 356107137 /nfs/dbraw/zinc/10/71/37/356107137.db2.gz KTZXWNRAOYTVEH-ZWKOTPCHSA-N 2 0 303.494 2.481 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182716022 356141398 /nfs/dbraw/zinc/14/13/98/356141398.db2.gz GMBYEJIPXNDABN-SJORKVTESA-N 2 0 324.513 2.377 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000380963007 356670069 /nfs/dbraw/zinc/67/00/69/356670069.db2.gz XISQDLHXUVJMGA-KBAYOESNSA-N 2 0 306.450 2.025 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000165865692 535351723 /nfs/dbraw/zinc/35/17/23/535351723.db2.gz NSPVZUABSQGRGM-DOTOQJQBSA-N 2 0 309.498 2.250 10 0 DEAERP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000579825275 357036557 /nfs/dbraw/zinc/03/65/57/357036557.db2.gz UGWJFGXFWRMWFW-SOVGHPHASA-N 2 0 324.428 2.113 10 0 DEAERP C[NH+](C)CCOCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000447593598 239039799 /nfs/dbraw/zinc/03/97/99/239039799.db2.gz TXKKEVOHDALHSV-AEFFLSMTSA-N 2 0 306.450 2.322 10 0 DEAERP CSC1(C[NH3+])CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000091473700 193061255 /nfs/dbraw/zinc/06/12/55/193061255.db2.gz JWTAMRGGYROVEI-UHFFFAOYSA-N 2 0 306.475 2.320 10 0 DEAERP CC[NH2+]Cc1sc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1CC ZINC000092004868 193139129 /nfs/dbraw/zinc/13/91/29/193139129.db2.gz BMKLVQOYYYASNF-OLZOCXBDSA-N 2 0 308.495 2.488 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1cccc(Cl)c1Cl ZINC000093374623 193241220 /nfs/dbraw/zinc/24/12/20/193241220.db2.gz AMYPDXNJWRVJKR-LLVKDONJSA-N 2 0 301.221 2.226 10 0 DEAERP CCC[NH2+][C@]1(CO)CC[C@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093857095 193319585 /nfs/dbraw/zinc/31/95/85/193319585.db2.gz ZYICVWIUZJKNEX-DLBZAZTESA-N 2 0 300.487 2.407 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[NH2+]CCc1ccsc1 ZINC000094443918 193370091 /nfs/dbraw/zinc/37/00/91/193370091.db2.gz KLPMHJHKRYLICU-NVXWUHKLSA-N 2 0 307.507 2.439 10 0 DEAERP c1ccc(OCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238418 284383064 /nfs/dbraw/zinc/38/30/64/284383064.db2.gz NKDKFXRUPVQEBM-GOSISDBHSA-N 2 0 304.434 2.156 10 0 DEAERP CC[NH+]1CCC(CC[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531980535 284635884 /nfs/dbraw/zinc/63/58/84/284635884.db2.gz QEGZNGHXIMYGIP-UHFFFAOYSA-N 2 0 317.481 2.157 10 0 DEAERP C[NH+]1CCC(Oc2ccc(C(F)(F)F)cc2C(N)=[NH2+])CC1 ZINC000041019244 183156992 /nfs/dbraw/zinc/15/69/92/183156992.db2.gz OCZPAOAZUHYCNV-UHFFFAOYSA-N 2 0 301.312 2.462 10 0 DEAERP C[NH+](C)CC1CC[NH+](Cc2cc(C(N)=S)ccc2F)CC1 ZINC000042393914 183263050 /nfs/dbraw/zinc/26/30/50/183263050.db2.gz ITCXGIOELHWPAG-UHFFFAOYSA-N 2 0 309.454 2.234 10 0 DEAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000043810457 183386334 /nfs/dbraw/zinc/38/63/34/183386334.db2.gz WGOHEXQGBYEUBH-CQSZACIVSA-N 2 0 301.356 2.213 10 0 DEAERP c1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000321886157 291707644 /nfs/dbraw/zinc/70/76/44/291707644.db2.gz KPXNDXZMTICZBH-UHFFFAOYSA-N 2 0 308.429 2.050 10 0 DEAERP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000104898372 194051218 /nfs/dbraw/zinc/05/12/18/194051218.db2.gz XZHYGNHESSDRKV-DLBZAZTESA-N 2 0 303.450 2.232 10 0 DEAERP CC(C)[NH+](CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000106453835 194215894 /nfs/dbraw/zinc/21/58/94/194215894.db2.gz CDCBHDDZUPVLHA-GOSISDBHSA-N 2 0 319.493 2.394 10 0 DEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000061643113 184180480 /nfs/dbraw/zinc/18/04/80/184180480.db2.gz RCCZCEFTEJIROP-QWRGUYRKSA-N 2 0 316.243 2.068 10 0 DEAERP C[NH+](C)C1CCN([C@@]2(C[NH3+])CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069383448 184511340 /nfs/dbraw/zinc/51/13/40/184511340.db2.gz GRFHWWIYWJTDTI-OCCSQVGLSA-N 2 0 307.404 2.462 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1[C@@H]([NH3+])C(C)(C)C ZINC000158478054 197276540 /nfs/dbraw/zinc/27/65/40/197276540.db2.gz UOZRPMWZWWSRQR-LLVKDONJSA-N 2 0 303.248 2.253 10 0 DEAERP Cc1cc(N(CC[NH+](C)C)CC(C)C)c(C(N)=S)c(C)[nH+]1 ZINC000156658685 197130989 /nfs/dbraw/zinc/13/09/89/197130989.db2.gz MXAZLBHNVRBULL-UHFFFAOYSA-N 2 0 308.495 2.357 10 0 DEAERP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCN2C)c2ccccc2C1 ZINC000376537927 133299546 /nfs/dbraw/zinc/29/95/46/133299546.db2.gz GHJDEKCJTFDYCV-FUHWJXTLSA-N 2 0 301.434 2.164 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246574396 145106800 /nfs/dbraw/zinc/10/68/00/145106800.db2.gz ZMLZDGBEWVUJJX-ZACQAIPSSA-N 2 0 322.497 2.127 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247456548 145137541 /nfs/dbraw/zinc/13/75/41/145137541.db2.gz TZGOQEDSCGSBIJ-NVXWUHKLSA-N 2 0 324.513 2.279 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000247473657 145138305 /nfs/dbraw/zinc/13/83/05/145138305.db2.gz RWWUXDLBINNTJX-YOEHRIQHSA-N 2 0 316.449 2.449 10 0 DEAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248654634 145163341 /nfs/dbraw/zinc/16/33/41/145163341.db2.gz PPNNXKQBQLRZQZ-NXHRZFHOSA-N 2 0 310.482 2.113 10 0 DEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000261613059 145210342 /nfs/dbraw/zinc/21/03/42/145210342.db2.gz GCNOAGNWRSMKIS-XYJRUXBBSA-N 2 0 307.482 2.306 10 0 DEAERP COc1ccc(CN(Cc2noc(CN)n2)[C@@H](C)C2CC2)cc1 ZINC000261619918 145210758 /nfs/dbraw/zinc/21/07/58/145210758.db2.gz CUTPFCUDZYNFMT-LBPRGKRZSA-N 2 0 316.405 2.338 10 0 DEAERP C[C@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000261758100 145223242 /nfs/dbraw/zinc/22/32/42/145223242.db2.gz HWCFOCTZXJHOFW-LNRIEFBSSA-N 2 0 301.434 2.036 10 0 DEAERP C[C@@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000261765578 145224124 /nfs/dbraw/zinc/22/41/24/145224124.db2.gz QRCXFSYAPIXXRH-STQMWFEESA-N 2 0 319.424 2.436 10 0 DEAERP [NH3+]Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc(C(F)(F)F)c1 ZINC000261823230 145230253 /nfs/dbraw/zinc/23/02/53/145230253.db2.gz OHPNXPHVHCBPRT-ZWNOBZJWSA-N 2 0 315.339 2.478 10 0 DEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834951 145232058 /nfs/dbraw/zinc/23/20/58/145232058.db2.gz ULJYLKLWMPPUOO-VDHUWJSZSA-N 2 0 315.461 2.313 10 0 DEAERP C[C@H](Cc1nc(-c2ccc(C[NH3+])cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000262142804 145266261 /nfs/dbraw/zinc/26/62/61/145266261.db2.gz ZFJREBDFIGZWFQ-IUODEOHRSA-N 2 0 300.406 2.374 10 0 DEAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000262237696 145270720 /nfs/dbraw/zinc/27/07/20/145270720.db2.gz NISICKSXOBMZDV-UHFFFAOYSA-N 2 0 303.450 2.144 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262659756 145298438 /nfs/dbraw/zinc/29/84/38/145298438.db2.gz NJOFPEYJJPQTRR-KRWDZBQOSA-N 2 0 303.450 2.233 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000127627366 401742639 /nfs/dbraw/zinc/74/26/39/401742639.db2.gz WBYILYKLCREMQC-HOTGVXAUSA-N 2 0 312.502 2.280 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128322688 401771875 /nfs/dbraw/zinc/77/18/75/401771875.db2.gz VANRCMDQGHKDBD-SJORKVTESA-N 2 0 324.513 2.090 10 0 DEAERP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972870 401991450 /nfs/dbraw/zinc/99/14/50/401991450.db2.gz XETPKEGWUQWONJ-MRXNPFEDSA-N 2 0 307.482 2.195 10 0 DEAERP COCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121102240 402015295 /nfs/dbraw/zinc/01/52/95/402015295.db2.gz WWGSGBHPYVJRFZ-INIZCTEOSA-N 2 0 320.477 2.358 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccccc3[nH]2)CC1 ZINC000121138103 402017061 /nfs/dbraw/zinc/01/70/61/402017061.db2.gz JORGPJYKGNGXIF-CQSZACIVSA-N 2 0 316.449 2.088 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000052497295 402043124 /nfs/dbraw/zinc/04/31/24/402043124.db2.gz GEQZDNUDEHNVQP-ZDUSSCGKSA-N 2 0 310.486 2.079 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000123245114 402117373 /nfs/dbraw/zinc/11/73/73/402117373.db2.gz YYUSDMJJOANNJV-PBHICJAKSA-N 2 0 303.450 2.303 10 0 DEAERP CCC[N@H+](CC)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000122100609 402061392 /nfs/dbraw/zinc/06/13/92/402061392.db2.gz SXIZLQFHIATJGE-UHFFFAOYSA-N 2 0 312.502 2.138 10 0 DEAERP CC[C@H](COC)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000151941271 402066927 /nfs/dbraw/zinc/06/69/27/402066927.db2.gz XZZBNAUQAUZKCB-MOPGFXCFSA-N 2 0 320.477 2.447 10 0 DEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236609811 402368445 /nfs/dbraw/zinc/36/84/45/402368445.db2.gz KAWBSNKVGXCYBZ-QZWWFDLISA-N 2 0 307.482 2.144 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CCC[NH+]1CC ZINC000177511309 402411325 /nfs/dbraw/zinc/41/13/25/402411325.db2.gz ZHIOVCBDXQVXGY-SJORKVTESA-N 2 0 324.513 2.377 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCCC2)C12CCOCC2 ZINC000186250323 402415136 /nfs/dbraw/zinc/41/51/36/402415136.db2.gz IMNYRAPXLLMVQG-DLBZAZTESA-N 2 0 310.482 2.426 10 0 DEAERP [NH3+][C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237872703 402424040 /nfs/dbraw/zinc/42/40/40/402424040.db2.gz RYDJURYTWNZTCM-KRWDZBQOSA-N 2 0 301.434 2.163 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCC(C)CC1 ZINC000166335473 402483834 /nfs/dbraw/zinc/48/38/34/402483834.db2.gz LQMFWKKWONLZJM-QZWWFDLISA-N 2 0 307.482 2.144 10 0 DEAERP Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCCCC1 ZINC000178320698 402484567 /nfs/dbraw/zinc/48/45/67/402484567.db2.gz JZPPVHBJRQMEBI-GOEBONIOSA-N 2 0 304.438 2.057 10 0 DEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CCCCC1 ZINC000178320113 402484707 /nfs/dbraw/zinc/48/47/07/402484707.db2.gz LNBGACUDIAYJIT-KRWDZBQOSA-N 2 0 318.465 2.352 10 0 DEAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246031763 402504160 /nfs/dbraw/zinc/50/41/60/402504160.db2.gz MOSNPQKBXYFNMM-CABCVRRESA-N 2 0 303.454 2.277 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247482219 402568990 /nfs/dbraw/zinc/56/89/90/402568990.db2.gz STNDPNAHEWOQOP-YOEHRIQHSA-N 2 0 301.434 2.057 10 0 DEAERP CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000170829535 402530418 /nfs/dbraw/zinc/53/04/18/402530418.db2.gz CUPVABOXSIMKQD-SJORKVTESA-N 2 0 324.513 2.088 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246438836 402531289 /nfs/dbraw/zinc/53/12/89/402531289.db2.gz KAZLWPJOGCMSCX-BZUAXINKSA-N 2 0 310.486 2.033 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCCCn2cccn2)CC1 ZINC000171589414 402598700 /nfs/dbraw/zinc/59/87/00/402598700.db2.gz PQBVMSWBNJAQKS-QGZVFWFLSA-N 2 0 322.497 2.078 10 0 DEAERP CCC[C@@H](C)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000180089897 402606802 /nfs/dbraw/zinc/60/68/02/402606802.db2.gz WQMJBMTYURUQPX-MSOLQXFVSA-N 2 0 311.514 2.149 10 0 DEAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000261640112 402714957 /nfs/dbraw/zinc/71/49/57/402714957.db2.gz DUOOHXWMGTZETL-IAOVAPTHSA-N 2 0 309.417 2.180 10 0 DEAERP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000173328301 402692720 /nfs/dbraw/zinc/69/27/20/402692720.db2.gz SZLUGOCZOITGJV-HOTGVXAUSA-N 2 0 312.502 2.229 10 0 DEAERP Cc1cccn2c(C[NH2+][C@H]3CCCN(c4cccnn4)C3)cnc12 ZINC000174361809 402737948 /nfs/dbraw/zinc/73/79/48/402737948.db2.gz ODJNIADAGZPXIO-HNNXBMFYSA-N 2 0 322.416 2.191 10 0 DEAERP Cc1cccn2c(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)cnc12 ZINC000174361798 402738001 /nfs/dbraw/zinc/73/80/01/402738001.db2.gz ODJNIADAGZPXIO-OAHLLOKOSA-N 2 0 322.416 2.191 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000193868701 402777018 /nfs/dbraw/zinc/77/70/18/402777018.db2.gz YSIBQJRRQRJERC-HOTGVXAUSA-N 2 0 324.513 2.280 10 0 DEAERP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734566 402813494 /nfs/dbraw/zinc/81/34/94/402813494.db2.gz JQBUVTBLHCQMMQ-OAHLLOKOSA-N 2 0 309.498 2.488 10 0 DEAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516254 402849308 /nfs/dbraw/zinc/84/93/08/402849308.db2.gz GSFDMQXPJKZFEL-CWRNSKLLSA-N 2 0 318.465 2.427 10 0 DEAERP Cn1cnc(CC[NH2+]Cc2cc(O)ccc2Br)c1 ZINC000315598631 404015489 /nfs/dbraw/zinc/01/54/89/404015489.db2.gz PHOWRAJEHXPHQR-UHFFFAOYSA-N 2 0 310.195 2.221 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000358642148 404770870 /nfs/dbraw/zinc/77/08/70/404770870.db2.gz AFGWEYMGBAUKFJ-KRWDZBQOSA-N 2 0 322.497 2.202 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000358690510 404771504 /nfs/dbraw/zinc/77/15/04/404771504.db2.gz XTEJWWFWRREAGX-UHFFFAOYSA-N 2 0 322.497 2.154 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379634944 405027419 /nfs/dbraw/zinc/02/74/19/405027419.db2.gz VOBDJXOZIIUJPS-UHOSZYNNSA-N 2 0 319.493 2.383 10 0 DEAERP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000396322531 405056420 /nfs/dbraw/zinc/05/64/20/405056420.db2.gz MGAZRJOZORBWJM-SJLPKXTDSA-N 2 0 315.461 2.252 10 0 DEAERP CC[C@@](C)(C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)OC ZINC000397560615 405058094 /nfs/dbraw/zinc/05/80/94/405058094.db2.gz VZHSMPXSLZGNAW-SFHVURJKSA-N 2 0 320.477 2.418 10 0 DEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000400788659 405062997 /nfs/dbraw/zinc/06/29/97/405062997.db2.gz RIMICKDSYNKHRL-LFAQGZIKSA-N 3 0 313.489 2.485 10 0 DEAERP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000638852529 405715817 /nfs/dbraw/zinc/71/58/17/405715817.db2.gz YCJHKXMOWFHFET-ROUUACIJSA-N 2 0 315.461 2.299 10 0 DEAERP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635012407 406399421 /nfs/dbraw/zinc/39/94/21/406399421.db2.gz MIVCMFAZIHALBH-XMTFNYHQSA-N 2 0 322.493 2.473 10 0 DEAERP CC1(C)CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638101730 406570584 /nfs/dbraw/zinc/57/05/84/406570584.db2.gz RFHXXWUAXCCTFO-QGZVFWFLSA-N 2 0 313.445 2.157 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000246505791 287221446 /nfs/dbraw/zinc/22/14/46/287221446.db2.gz WUUHZXXCNAUQHC-BRWVUGGUSA-N 2 0 322.497 2.129 10 0 DEAERP C[C@H](C[NH2+]C[C@@H](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000133884864 196342519 /nfs/dbraw/zinc/34/25/19/196342519.db2.gz JLJBCVMDJVCKOF-ZWKOTPCHSA-N 2 0 303.494 2.338 10 0 DEAERP CCOCC[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@H]1CC ZINC000153805610 424859944 /nfs/dbraw/zinc/85/99/44/424859944.db2.gz HGOPHEMOSAJZFC-GOSISDBHSA-N 2 0 311.514 2.151 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398030052 424922657 /nfs/dbraw/zinc/92/26/57/424922657.db2.gz GEXGMBFRZXHPBN-DJIMGWMZSA-N 2 0 303.450 2.139 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398030059 424922877 /nfs/dbraw/zinc/92/28/77/424922877.db2.gz GEXGMBFRZXHPBN-USXIJHARSA-N 2 0 303.450 2.139 10 0 DEAERP c1ccc(C[N@@H+]2CCCO[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619071 269097779 /nfs/dbraw/zinc/09/77/79/269097779.db2.gz YZNGCNAMQAKGEA-RTBURBONSA-N 2 0 317.477 2.009 10 0 DEAERP CO[C@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397495805 269106702 /nfs/dbraw/zinc/10/67/02/269106702.db2.gz PZAWFJSIIIYQCG-JKSUJKDBSA-N 2 0 306.450 2.027 10 0 DEAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367125293 277151467 /nfs/dbraw/zinc/15/14/67/277151467.db2.gz DLPSQPQGQAEKER-RDJZCZTQSA-N 2 0 324.509 2.407 10 0 DEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246486374 278257523 /nfs/dbraw/zinc/25/75/23/278257523.db2.gz OYWZQCFURGNVJC-HMDCTGQHSA-N 2 0 307.482 2.144 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116567633 297093310 /nfs/dbraw/zinc/09/33/10/297093310.db2.gz VKDIEMZWQDBXAL-OAGGEKHMSA-N 2 0 324.513 2.231 10 0 DEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237989433 303744051 /nfs/dbraw/zinc/74/40/51/303744051.db2.gz BXOUAXXRKAUOKW-WBAXXEDZSA-N 2 0 319.493 2.430 10 0 DEAERP [NH3+]C1CCC([NH2+]CC2(CN3CCOCC3)CCCCC2)CC1 ZINC000328617767 534559339 /nfs/dbraw/zinc/55/93/39/534559339.db2.gz UMFLFRWURRFECF-UHFFFAOYSA-N 2 0 309.498 2.129 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000105862044 525749219 /nfs/dbraw/zinc/74/92/19/525749219.db2.gz NSKLCBBOWLFIPW-HNNXBMFYSA-N 2 0 324.440 2.229 10 0 DEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000261969785 535214563 /nfs/dbraw/zinc/21/45/63/535214563.db2.gz PWWBMCWBSKZWEL-SJORKVTESA-N 2 0 309.498 2.474 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000249329713 535645214 /nfs/dbraw/zinc/64/52/14/535645214.db2.gz WBYILYKLCREMQC-CVEARBPZSA-N 2 0 312.502 2.280 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692735 536434114 /nfs/dbraw/zinc/43/41/14/536434114.db2.gz BBWCKLIVTRPCTP-OALUTQOASA-N 2 0 301.478 2.440 10 0 DEAERP C[C@H]1CN(Cc2cnc(NC(=O)CC3CC3)s2)CC[C@H]1[NH3+] ZINC000725272090 563577208 /nfs/dbraw/zinc/57/72/08/563577208.db2.gz MDXAZCKEVVSBOI-GXFFZTMASA-N 2 0 308.451 2.051 10 0 DEAERP CCC[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000176083419 624622144 /nfs/dbraw/zinc/62/21/44/624622144.db2.gz IBYGZNRGQYFWGE-JKSUJKDBSA-N 2 0 304.438 2.262 10 0 DEAERP [NH3+]C[C@]1(Nc2ccc(Br)cc2)C[NH+]2CCC1CC2 ZINC000087914890 185237501 /nfs/dbraw/zinc/23/75/01/185237501.db2.gz ZCLLWJMXXUKRTL-AWEZNQCLSA-N 2 0 310.239 2.284 10 0 DEAERP C[N@@H+]1CCCC[C@@H]1COc1ncc(Br)cc1C[NH3+] ZINC000088166022 185241093 /nfs/dbraw/zinc/24/10/93/185241093.db2.gz DFJUAEZNLSWTRJ-GFCCVEGCSA-N 2 0 314.227 2.166 10 0 DEAERP C[N@H+](Cc1cccc(Br)c1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606696 185306309 /nfs/dbraw/zinc/30/63/09/185306309.db2.gz DVEKDOFQFMFVNF-KBPBESRZSA-N 2 0 313.239 2.245 10 0 DEAERP COC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000272676299 210081175 /nfs/dbraw/zinc/08/11/75/210081175.db2.gz LTJKRSCRFXVORD-BPQIPLTHSA-N 2 0 306.450 2.148 10 0 DEAERP COc1cccc2c1CN(CCCC[NH+]1CCCC1)[C@H]2C[NH3+] ZINC000071683151 191006982 /nfs/dbraw/zinc/00/69/82/191006982.db2.gz NFLKEVMRGHNJLH-KRWDZBQOSA-N 2 0 303.450 2.387 10 0 DEAERP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000072158324 191060610 /nfs/dbraw/zinc/06/06/10/191060610.db2.gz WXHZJKWWNPGRTD-OAHLLOKOSA-N 2 0 319.449 2.432 10 0 DEAERP C[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[C@H]1C[N@H+](C)CCN1C ZINC000149583982 186050702 /nfs/dbraw/zinc/05/07/02/186050702.db2.gz MJRSPINNRPJKBO-GJZGRUSLSA-N 2 0 313.848 2.246 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000164200364 186152074 /nfs/dbraw/zinc/15/20/74/186152074.db2.gz IPMIXQSJOZMAIG-GFCCVEGCSA-N 2 0 312.845 2.203 10 0 DEAERP CCC[C@]1(C(=O)c2c(Cl)cnn2CC[NH+](C)C)CC[NH2+]C1 ZINC000164262398 186153948 /nfs/dbraw/zinc/15/39/48/186153948.db2.gz KRBBSTNCPXQEEG-HNNXBMFYSA-N 2 0 312.845 2.061 10 0 DEAERP [NH3+]C1CC[NH+]([C@@H]2CCN(Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000164344428 186156621 /nfs/dbraw/zinc/15/66/21/186156621.db2.gz UVTJQCGMZZNADD-CQSZACIVSA-N 2 0 311.832 2.477 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309684983 539877992 /nfs/dbraw/zinc/87/79/92/539877992.db2.gz BJLSUBUAPPPMGB-CGTJXYLNSA-N 2 0 317.477 2.387 10 0 DEAERP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404312072 540144640 /nfs/dbraw/zinc/14/46/40/540144640.db2.gz LXFCGJSHCVOSFX-BZUAXINKSA-N 2 0 317.477 2.481 10 0 DEAERP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404366945 540146429 /nfs/dbraw/zinc/14/64/29/540146429.db2.gz PRWNVOLUPMYGRH-OWCLPIDISA-N 2 0 315.461 2.378 10 0 DEAERP C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000169782033 355982713 /nfs/dbraw/zinc/98/27/13/355982713.db2.gz YLOKOCXQOHZESN-HNNXBMFYSA-N 2 0 308.853 2.476 10 0 DEAERP C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000183050704 356158080 /nfs/dbraw/zinc/15/80/80/356158080.db2.gz POLNXLOWXCIYEM-UKRRQHHQSA-N 2 0 319.430 2.100 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236914651 202068314 /nfs/dbraw/zinc/06/83/14/202068314.db2.gz HLLCWGCGRHXGDV-ULQDDVLXSA-N 2 0 307.482 2.145 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000380963005 356669862 /nfs/dbraw/zinc/66/98/62/356669862.db2.gz XISQDLHXUVJMGA-CGTJXYLNSA-N 2 0 306.450 2.025 10 0 DEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[NH3+])cc2)o1 ZINC000237151601 202168454 /nfs/dbraw/zinc/16/84/54/202168454.db2.gz BDKHKQDAEPPFQS-UHFFFAOYSA-N 2 0 315.417 2.251 10 0 DEAERP O[C@H](C[NH+]1CCC(C[NH2+]Cc2cocn2)CC1)c1ccccc1 ZINC000192309286 200851595 /nfs/dbraw/zinc/85/15/95/200851595.db2.gz VVZQNHNXTFQLSQ-GOSISDBHSA-N 2 0 315.417 2.210 10 0 DEAERP CSC1(C[NH3+])CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000091473677 193061199 /nfs/dbraw/zinc/06/11/99/193061199.db2.gz XFZFUEXPLQEDBO-CYBMUJFWSA-N 2 0 307.463 2.170 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000093374540 193240734 /nfs/dbraw/zinc/24/07/34/193240734.db2.gz RYGRUYDXRXBRIP-GFCCVEGCSA-N 2 0 301.221 2.226 10 0 DEAERP CC[N@H+](CC[C@@H]1CCC[C@@]1(CO)[NH2+]C(C)C)[C@@H](C)COC ZINC000093617274 193275071 /nfs/dbraw/zinc/27/50/71/193275071.db2.gz LYKGKFNYOMLUOC-ULQDDVLXSA-N 2 0 300.487 2.263 10 0 DEAERP CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC000094634616 193386249 /nfs/dbraw/zinc/38/62/49/193386249.db2.gz WPUZWSJQDOBVKI-JKSUJKDBSA-N 2 0 316.511 2.326 10 0 DEAERP CCC[NH2+][C@H]1[C@H](C[N@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428443 193368536 /nfs/dbraw/zinc/36/85/36/193368536.db2.gz KDRUVYKKDIOFLY-GJZGRUSLSA-N 2 0 300.487 2.263 10 0 DEAERP CC[NH2+][C@H]1[C@@H](C[N@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429312 193368847 /nfs/dbraw/zinc/36/88/47/193368847.db2.gz GZKJEUZPRHVULS-CABCVRRESA-N 2 0 300.487 2.261 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000104773247 194037367 /nfs/dbraw/zinc/03/73/67/194037367.db2.gz RJIADYCLNIBHPZ-OAHLLOKOSA-N 2 0 310.486 2.034 10 0 DEAERP CCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000061655612 184180869 /nfs/dbraw/zinc/18/08/69/184180869.db2.gz QNWDSYYEXBEXSK-ZDUSSCGKSA-N 2 0 308.495 2.488 10 0 DEAERP CC[NH+]1CCN(c2ccccc2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000063501791 184283717 /nfs/dbraw/zinc/28/37/17/184283717.db2.gz BZBKDHYZNAZPTJ-UHFFFAOYSA-N 2 0 318.465 2.107 10 0 DEAERP CCn1nc(C)c(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000294834371 224252762 /nfs/dbraw/zinc/25/27/62/224252762.db2.gz NQSZVMBTLCLGMO-OAHLLOKOSA-N 2 0 314.437 2.244 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N(C)CCC[NH+](C)C)C(C)C ZINC000543669123 285301961 /nfs/dbraw/zinc/30/19/61/285301961.db2.gz CXVVGZRSMYJDER-UHFFFAOYSA-N 2 0 300.491 2.088 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358183772 133126907 /nfs/dbraw/zinc/12/69/07/133126907.db2.gz FOCMEBXYZYWJCH-UHFFFAOYSA-N 2 0 322.497 2.202 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000358200259 133127729 /nfs/dbraw/zinc/12/77/29/133127729.db2.gz ZODFDFASRHNLQV-UHFFFAOYSA-N 2 0 322.497 2.202 10 0 DEAERP CC(C)OC1CC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000189542082 145029686 /nfs/dbraw/zinc/02/96/86/145029686.db2.gz CAOKWUHRNZTFBF-UHFFFAOYSA-N 2 0 323.525 2.482 10 0 DEAERP Cn1c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2sc1=O ZINC000192469840 145073635 /nfs/dbraw/zinc/07/36/35/145073635.db2.gz JDHOTYCDDPTBQA-CYBMUJFWSA-N 2 0 317.458 2.174 10 0 DEAERP Cc1c[nH+]ccc1N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000192572349 145075279 /nfs/dbraw/zinc/07/52/79/145075279.db2.gz QTAFKBBRTRFMTN-UHFFFAOYSA-N 2 0 311.433 2.173 10 0 DEAERP O[C@H](COc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193078814 145082605 /nfs/dbraw/zinc/08/26/05/145082605.db2.gz UUJPHFDRIYOUFF-SFHVURJKSA-N 2 0 318.461 2.234 10 0 DEAERP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000246756413 145113167 /nfs/dbraw/zinc/11/31/67/145113167.db2.gz BPXPZWKRLJWZRX-WCXIOVBPSA-N 2 0 324.513 2.135 10 0 DEAERP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247005703 145122654 /nfs/dbraw/zinc/12/26/54/145122654.db2.gz LBAKERFAEJAZOF-IRXDYDNUSA-N 2 0 318.465 2.447 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247479048 145138566 /nfs/dbraw/zinc/13/85/66/145138566.db2.gz VYOOYDLOTCINBQ-TWMKSMIVSA-N 2 0 324.513 2.135 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261560064 145207441 /nfs/dbraw/zinc/20/74/41/145207441.db2.gz ZMCGROGEGUBCRC-HNNXBMFYSA-N 2 0 303.450 2.094 10 0 DEAERP c1sc(-c2ncccn2)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261688532 145216915 /nfs/dbraw/zinc/21/69/15/145216915.db2.gz ATPGCSVXPFJEDT-UHFFFAOYSA-N 2 0 315.446 2.176 10 0 DEAERP C[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000261737742 145221875 /nfs/dbraw/zinc/22/18/75/145221875.db2.gz NQEHMCIDXFYYSS-UOVPBQLFSA-N 2 0 315.461 2.408 10 0 DEAERP C[C@]1(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261898289 145239663 /nfs/dbraw/zinc/23/96/63/145239663.db2.gz VLTGWQKESVVVGQ-SFHVURJKSA-N 2 0 307.482 2.147 10 0 DEAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000261963181 145248131 /nfs/dbraw/zinc/24/81/31/145248131.db2.gz XZPKJJAYAPAOKC-GOSISDBHSA-N 2 0 315.461 2.329 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262041472 145256067 /nfs/dbraw/zinc/25/60/67/145256067.db2.gz BYHLWYRMMOBOMR-HYVNUMGLSA-N 2 0 301.434 2.162 10 0 DEAERP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000262071675 145259027 /nfs/dbraw/zinc/25/90/27/145259027.db2.gz GCIHINIQRYRSCX-CYBMUJFWSA-N 2 0 323.506 2.333 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654650 145396891 /nfs/dbraw/zinc/39/68/91/145396891.db2.gz DUICVCHSRKFSOT-NEWSRXKRSA-N 3 0 319.493 2.241 10 0 DEAERP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000358489465 147143677 /nfs/dbraw/zinc/14/36/77/147143677.db2.gz BVNQTBPSVBHNQR-IRXDYDNUSA-N 2 0 324.513 2.234 10 0 DEAERP c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@H](CN3CCOCC3)C1)C2 ZINC000359576427 147354339 /nfs/dbraw/zinc/35/43/39/147354339.db2.gz AHHHXDHBIMLRPJ-ZWKOTPCHSA-N 2 0 314.473 2.446 10 0 DEAERP c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@@H](CN3CCOCC3)C1)C2 ZINC000359576426 147354852 /nfs/dbraw/zinc/35/48/52/147354852.db2.gz AHHHXDHBIMLRPJ-ROUUACIJSA-N 2 0 314.473 2.446 10 0 DEAERP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000370763669 148053785 /nfs/dbraw/zinc/05/37/85/148053785.db2.gz NPVAWLWUNCAOQL-MSOLQXFVSA-N 2 0 315.461 2.014 10 0 DEAERP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccoc3C3CC3)C2)CC1 ZINC000374226548 148220039 /nfs/dbraw/zinc/22/00/39/148220039.db2.gz AZNCFJZTSAEESG-AWEZNQCLSA-N 2 0 317.433 2.055 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000112881638 401760651 /nfs/dbraw/zinc/76/06/51/401760651.db2.gz FUVZWEQIFNOUGK-MSOLQXFVSA-N 2 0 319.493 2.252 10 0 DEAERP C[C@@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000133885465 401895487 /nfs/dbraw/zinc/89/54/87/401895487.db2.gz JLJBCVMDJVCKOF-MSOLQXFVSA-N 2 0 303.494 2.338 10 0 DEAERP CC(C)C[NH+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000118996850 401917779 /nfs/dbraw/zinc/91/77/79/401917779.db2.gz AYYMERZQNLQIEF-UHFFFAOYSA-N 2 0 324.513 2.090 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000052524661 402043850 /nfs/dbraw/zinc/04/38/50/402043850.db2.gz QJAIYFFWRNMCSF-SJORKVTESA-N 2 0 324.513 2.280 10 0 DEAERP Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)sc1C ZINC000176359611 402302883 /nfs/dbraw/zinc/30/28/83/402302883.db2.gz BREKNDXJEIJDGG-GFCCVEGCSA-N 2 0 311.495 2.285 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000185187975 402332036 /nfs/dbraw/zinc/33/20/36/402332036.db2.gz KQJGEEVUOICQQM-HZPDHXFCSA-N 2 0 324.513 2.233 10 0 DEAERP C[NH+](C)Cc1cccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186527052 402439306 /nfs/dbraw/zinc/43/93/06/402439306.db2.gz QGDXSZGUJHKAAV-INIZCTEOSA-N 2 0 301.434 2.105 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245878215 402493815 /nfs/dbraw/zinc/49/38/15/402493815.db2.gz AVANSJHXFFACOW-GVDBMIGSSA-N 2 0 324.513 2.088 10 0 DEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](C)COC)CC1 ZINC000187676049 402507744 /nfs/dbraw/zinc/50/77/44/402507744.db2.gz QYODDIXBHIIDOC-KRWDZBQOSA-N 2 0 319.493 2.196 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CC(C)C ZINC000170828196 402530387 /nfs/dbraw/zinc/53/03/87/402530387.db2.gz IVFLQVHJXZOGOO-HZPDHXFCSA-N 2 0 312.502 2.088 10 0 DEAERP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246474782 402532822 /nfs/dbraw/zinc/53/28/22/402532822.db2.gz QHYOTFKJSMOBDT-HOTGVXAUSA-N 2 0 312.502 2.090 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248452620 402591285 /nfs/dbraw/zinc/59/12/85/402591285.db2.gz GMBYEJIPXNDABN-IRXDYDNUSA-N 2 0 324.513 2.377 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000249762901 402641325 /nfs/dbraw/zinc/64/13/25/402641325.db2.gz YSIBQJRRQRJERC-CVEARBPZSA-N 2 0 324.513 2.280 10 0 DEAERP Cc1nc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000172792032 402676010 /nfs/dbraw/zinc/67/60/10/402676010.db2.gz KRAGRJQDOZAALR-LBPRGKRZSA-N 2 0 311.495 2.285 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174173069 402730204 /nfs/dbraw/zinc/73/02/04/402730204.db2.gz KBXXQQSCSUMIOK-DLBZAZTESA-N 2 0 324.513 2.090 10 0 DEAERP CCCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516111 402849772 /nfs/dbraw/zinc/84/97/72/402849772.db2.gz BVNHCMRWKMIRMB-OAHLLOKOSA-N 2 0 304.438 2.040 10 0 DEAERP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000246176568 292253673 /nfs/dbraw/zinc/25/36/73/292253673.db2.gz BRHNFOUDQBQBRH-KURKYZTESA-N 2 0 315.461 2.376 10 0 DEAERP Cc1noc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000282040557 403115940 /nfs/dbraw/zinc/11/59/40/403115940.db2.gz LLJNOMZLBPPHJL-CYBMUJFWSA-N 2 0 301.394 2.290 10 0 DEAERP CC(=O)c1ccccc1OCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292187682 403315334 /nfs/dbraw/zinc/31/53/34/403315334.db2.gz RDPKAJIKJQNBAK-GOSISDBHSA-N 2 0 302.418 2.296 10 0 DEAERP Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000301717892 403668647 /nfs/dbraw/zinc/66/86/47/403668647.db2.gz OGCUVRDVLSXOSR-IRXDYDNUSA-N 2 0 301.365 2.202 10 0 DEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000333118341 403670509 /nfs/dbraw/zinc/67/05/09/403670509.db2.gz ADPFMZGSDYTMMY-OTBWCIGPSA-N 2 0 322.497 2.161 10 0 DEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333384073 403739047 /nfs/dbraw/zinc/73/90/47/403739047.db2.gz NXBHLDXTCWJMAH-HOTGVXAUSA-N 2 0 324.513 2.328 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]CC1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000333597126 403788441 /nfs/dbraw/zinc/78/84/41/403788441.db2.gz PDYHPIJGABWFMV-LBPRGKRZSA-N 2 0 322.478 2.328 10 0 DEAERP COC(C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000377330172 404836749 /nfs/dbraw/zinc/83/67/49/404836749.db2.gz LPTWOIWIJXFRFH-SJORKVTESA-N 2 0 304.434 2.059 10 0 DEAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC000396392984 405055982 /nfs/dbraw/zinc/05/59/82/405055982.db2.gz ROWLFMMGESXDGU-SOLBZPMBSA-N 2 0 315.461 2.107 10 0 DEAERP c1cc(C[NH+]2CCC(C[NH2+]CCC[C@@H]3CCO3)CC2)ccn1 ZINC000639311310 406037824 /nfs/dbraw/zinc/03/78/24/406037824.db2.gz LDOHRLFHBWEKPP-GOSISDBHSA-N 2 0 303.450 2.452 10 0 DEAERP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423011554 230315930 /nfs/dbraw/zinc/31/59/30/230315930.db2.gz JEZOFRWNSFVBKC-ZACQAIPSSA-N 2 0 300.450 2.407 10 0 DEAERP C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000381042469 424909168 /nfs/dbraw/zinc/90/91/68/424909168.db2.gz DZIOFGZBLOIJDI-PKOBYXMFSA-N 2 0 315.461 2.157 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398039253 424922101 /nfs/dbraw/zinc/92/21/01/424922101.db2.gz KIKGCULHPNHHDW-NXHRZFHOSA-N 2 0 317.477 2.387 10 0 DEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333437321 268946318 /nfs/dbraw/zinc/94/63/18/268946318.db2.gz VNPDRXILBKQBRJ-INIZCTEOSA-N 2 0 322.497 2.225 10 0 DEAERP [NH3+]C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000333659875 268972821 /nfs/dbraw/zinc/97/28/21/268972821.db2.gz LKRXWLQSAUFACK-DLBZAZTESA-N 2 0 322.497 2.164 10 0 DEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000397688509 269106856 /nfs/dbraw/zinc/10/68/56/269106856.db2.gz OYHNDDMIPQSXKX-SJLPKXTDSA-N 2 0 318.461 2.028 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000397940662 269107288 /nfs/dbraw/zinc/10/72/88/269107288.db2.gz ZOGSTZICUPKEQX-RBUKOAKNSA-N 2 0 319.493 2.385 10 0 DEAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367125294 277151348 /nfs/dbraw/zinc/15/13/48/277151348.db2.gz DLPSQPQGQAEKER-WBVHZDCISA-N 2 0 324.509 2.407 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000176264582 279298359 /nfs/dbraw/zinc/29/83/59/279298359.db2.gz RTBYDEDWFBIQTL-YESZJQIVSA-N 2 0 324.513 2.233 10 0 DEAERP c1ccc(OCCOCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000573445042 326058136 /nfs/dbraw/zinc/05/81/36/326058136.db2.gz NCWHIWBTOPHPSY-SFHVURJKSA-N 2 0 304.434 2.158 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)[C@@H](C)C1 ZINC000358300016 535527426 /nfs/dbraw/zinc/52/74/26/535527426.db2.gz NFXJECUFCKCNFP-DAYGRLMNSA-N 2 0 322.497 2.376 10 0 DEAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000247233941 535585295 /nfs/dbraw/zinc/58/52/95/535585295.db2.gz DHKNAZDJCQFQSD-RBUKOAKNSA-N 2 0 320.477 2.228 10 0 DEAERP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccoc1)C2 ZINC000888098736 635545053 /nfs/dbraw/zinc/54/50/53/635545053.db2.gz LYLSHRRPEYZAMD-XABWRGDLSA-N 2 0 306.450 2.280 10 0 DEAERP C[NH+](C)C1CC([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724083251 777237688 /nfs/dbraw/zinc/23/76/88/777237688.db2.gz QGCLVALAZVCSSX-ZUJMUWTESA-N 2 0 311.470 2.362 10 0 DEAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000715543562 792477167 /nfs/dbraw/zinc/47/71/67/792477167.db2.gz PZSCRMFBKWPSCZ-LSDHHAIUSA-N 2 0 311.470 2.316 10 0 DEAERP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680052 792983709 /nfs/dbraw/zinc/98/37/09/792983709.db2.gz PYORPDLQIJGXHL-VBGUPWIQSA-N 2 0 320.502 2.396 10 0 DEAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOCCOCc2ccccc2)C12CCC2 ZINC000405427126 802064786 /nfs/dbraw/zinc/06/47/86/802064786.db2.gz RFRMCSJAEUOLLL-QZTJIDSGSA-N 2 0 318.461 2.469 10 0 DEAERP c1ccc(N2CCOCC2)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000066970504 1079867148 /nfs/dbraw/zinc/86/71/48/1079867148.db2.gz VERXAYDWKVPWBE-UHFFFAOYSA-N 2 0 303.450 2.099 10 0 DEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC1=[NH+]CCCCN1)C1CC1 ZINC000717998291 1081857519 /nfs/dbraw/zinc/85/75/19/1081857519.db2.gz HMNFTTIVVKZEEH-KRWDZBQOSA-N 2 0 300.450 2.226 10 0 DEAERP [NH3+]C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000720843575 1086289771 /nfs/dbraw/zinc/28/97/71/1086289771.db2.gz IPKRCLOVFDJUBC-BDAKNGLRSA-N 2 0 308.266 2.024 10 0 DEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000702050437 1086401621 /nfs/dbraw/zinc/40/16/21/1086401621.db2.gz XXQDEUQNPIXXBK-YSIASYRMSA-N 3 0 313.489 2.440 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000195128717 282368960 /nfs/dbraw/zinc/36/89/60/282368960.db2.gz SVVHUMOWWAKMEJ-ZACQAIPSSA-N 2 0 324.513 2.138 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(CC)CC ZINC000181559383 539651910 /nfs/dbraw/zinc/65/19/10/539651910.db2.gz VMUMHJQIUIPDJJ-GVDBMIGSSA-N 2 0 312.498 2.407 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CC(C)C ZINC000170828187 197831283 /nfs/dbraw/zinc/83/12/83/197831283.db2.gz IVFLQVHJXZOGOO-HOTGVXAUSA-N 2 0 312.502 2.088 10 0 DEAERP CC(C)OCCCN1Cc2ccc(C[NH+](C)C)cc2[C@@H]1C[NH3+] ZINC000071683828 191006839 /nfs/dbraw/zinc/00/68/39/191006839.db2.gz KEOJOCLXVZPUDG-SFHVURJKSA-N 2 0 305.466 2.379 10 0 DEAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237921525 539751289 /nfs/dbraw/zinc/75/12/89/539751289.db2.gz FHQLZJSURXNQOM-OKZBNKHCSA-N 2 0 315.461 2.285 10 0 DEAERP CC[NH2+][C@H](Cc1cccc(Cl)c1)C[C@@H]1C[N@H+](C)CCN1C ZINC000149665563 186051814 /nfs/dbraw/zinc/05/18/14/186051814.db2.gz INYTWMWVZRNVNV-IAGOWNOFSA-N 2 0 309.885 2.497 10 0 DEAERP COc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000173345786 186179021 /nfs/dbraw/zinc/17/90/21/186179021.db2.gz UGCBUXUDWCQYJT-HOCLYGCPSA-N 2 0 322.449 2.201 10 0 DEAERP C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1ccnc1 ZINC000183904205 186229156 /nfs/dbraw/zinc/22/91/56/186229156.db2.gz GSGKCQJLGWXWQX-BBRMVZONSA-N 2 0 313.405 2.067 10 0 DEAERP CC[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]CC ZINC000003787614 181046400 /nfs/dbraw/zinc/04/64/00/181046400.db2.gz WIOJAQYPAPCEMC-UHFFFAOYSA-N 4 0 300.535 2.115 10 0 investigational DEAERP CC1CC[NH+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)CC1 ZINC000066242827 354705767 /nfs/dbraw/zinc/70/57/67/354705767.db2.gz GLQVDFFVFKGTBG-UHFFFAOYSA-N 2 0 300.450 2.357 10 0 DEAERP C[NH2+][C@H](C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404312541 540144603 /nfs/dbraw/zinc/14/46/03/540144603.db2.gz MCWKTBQRNVSWPL-ZJIFWQFVSA-N 2 0 303.450 2.104 10 0 DEAERP C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000182695605 356140728 /nfs/dbraw/zinc/14/07/28/356140728.db2.gz NCVZOYDRTZXAPJ-BRWVUGGUSA-N 2 0 324.513 2.375 10 0 DEAERP C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661818 356209319 /nfs/dbraw/zinc/20/93/19/356209319.db2.gz JFKNBGKIDGOUHU-ZOBUZTSGSA-N 2 0 312.498 2.405 10 0 DEAERP CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236844234 202036022 /nfs/dbraw/zinc/03/60/22/202036022.db2.gz JDPQIHWRMXFCIR-ULQDDVLXSA-N 2 0 307.482 2.145 10 0 DEAERP CC/C=C\CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000588475926 540258135 /nfs/dbraw/zinc/25/81/35/540258135.db2.gz DKKXSNZCFMFZBB-OOFWQKGWSA-N 2 0 309.498 2.070 10 0 DEAERP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188507 365325764 /nfs/dbraw/zinc/32/57/64/365325764.db2.gz RXXORPHGUVXCFS-OALUTQOASA-N 2 0 321.509 2.236 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629545117 367243377 /nfs/dbraw/zinc/24/33/77/367243377.db2.gz BNFOGDNERFRVNG-IWKCEXAMSA-N 2 0 314.429 2.399 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000093374625 193240923 /nfs/dbraw/zinc/24/09/23/193240923.db2.gz XSTAQCQDHHHNCX-GFCCVEGCSA-N 2 0 301.221 2.226 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1cccc(Cl)c1Cl ZINC000093374622 193240973 /nfs/dbraw/zinc/24/09/73/193240973.db2.gz AMYPDXNJWRVJKR-NSHDSACASA-N 2 0 301.221 2.226 10 0 DEAERP C[NH2+][C@]1(CO)CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093618282 193275615 /nfs/dbraw/zinc/27/56/15/193275615.db2.gz QOAIAMGPXCPYIO-OCCSQVGLSA-N 2 0 308.388 2.401 10 0 DEAERP CCC[NH2+][C@@H]1[C@@H](C[N@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430075 193368488 /nfs/dbraw/zinc/36/84/88/193368488.db2.gz JXNUJKVLOXHSGV-ZIAGYGMSSA-N 2 0 300.487 2.261 10 0 DEAERP C[NH2+][C@H]1[C@@H](C[N@H+](CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428310 193369137 /nfs/dbraw/zinc/36/91/37/193369137.db2.gz GIMXRTRFTNLNGU-CABCVRRESA-N 2 0 300.487 2.382 10 0 DEAERP CC(C)[C@@H](C[NH2+][C@H]1CSCCC1(C)C)N1CC[NH+](C)CC1 ZINC000094483453 193372830 /nfs/dbraw/zinc/37/28/30/193372830.db2.gz NQYBEADCCLSQSM-CVEARBPZSA-N 2 0 313.555 2.380 10 0 DEAERP CC(C)[C@@H](C[NH2+][C@@H]1CSCCC1(C)C)N1CC[NH+](C)CC1 ZINC000094483451 193372857 /nfs/dbraw/zinc/37/28/57/193372857.db2.gz NQYBEADCCLSQSM-HZPDHXFCSA-N 2 0 313.555 2.380 10 0 DEAERP C[NH2+]Cc1cc(Br)ccc1OCCC[NH+](C)C ZINC000019777050 182147796 /nfs/dbraw/zinc/14/77/96/182147796.db2.gz HYWRLFTWBRTFAR-UHFFFAOYSA-N 2 0 301.228 2.499 10 0 DEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000019996882 182175410 /nfs/dbraw/zinc/17/54/10/182175410.db2.gz GBPHXPOMGWZFBO-CQSZACIVSA-N 2 0 301.356 2.343 10 0 DEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000019996878 182175626 /nfs/dbraw/zinc/17/56/26/182175626.db2.gz GBPHXPOMGWZFBO-AWEZNQCLSA-N 2 0 301.356 2.343 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1[C@H]([NH3+])C1CCC1 ZINC000159976744 197377782 /nfs/dbraw/zinc/37/77/82/197377782.db2.gz WMXJYOKKAFEBAF-LLVKDONJSA-N 2 0 301.232 2.007 10 0 DEAERP C[NH+](C)CCC[NH2+]CCOc1cccc(Br)c1 ZINC000042222122 183243248 /nfs/dbraw/zinc/24/32/48/183243248.db2.gz GCAYDERQTCFADH-UHFFFAOYSA-N 2 0 301.228 2.369 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105217114 194086998 /nfs/dbraw/zinc/08/69/98/194086998.db2.gz SRVZRGYHDRJQTR-QGZVFWFLSA-N 2 0 322.497 2.131 10 0 DEAERP CC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106386580 194205667 /nfs/dbraw/zinc/20/56/67/194205667.db2.gz BGWHMOJPYJAPDJ-MOPGFXCFSA-N 2 0 320.477 2.135 10 0 DEAERP CCC[N@@H+]1CCc2nc([C@H](CC)N3CC[NH2+]CC3)sc2C1 ZINC000109472412 194266629 /nfs/dbraw/zinc/26/66/29/194266629.db2.gz SAHADEJZSVDELV-AWEZNQCLSA-N 2 0 308.495 2.268 10 0 DEAERP C[N@@H+]1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1(C)C ZINC000110711773 194352739 /nfs/dbraw/zinc/35/27/39/194352739.db2.gz BZXGXCNAKKMQLC-ZDUSSCGKSA-N 2 0 301.356 2.130 10 0 DEAERP C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CC[NH+](C)C ZINC000111130445 194393130 /nfs/dbraw/zinc/39/31/30/194393130.db2.gz FEYGCZUKQLZQRY-CABZTGNLSA-N 2 0 320.300 2.392 10 0 DEAERP CC[NH2+]Cc1c(N2CCC[C@H]2C[NH+](C)C)nc2sccn12 ZINC000061645981 184180929 /nfs/dbraw/zinc/18/09/29/184180929.db2.gz ZJOBELZHQLHUHD-LBPRGKRZSA-N 2 0 307.467 2.036 10 0 DEAERP CC(C)[NH+]1CCN([C@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062710080 184248768 /nfs/dbraw/zinc/24/87/68/184248768.db2.gz DPHLNGZGHSWSPM-CQSZACIVSA-N 2 0 301.356 2.130 10 0 DEAERP C[NH+](C)C1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062710083 184248803 /nfs/dbraw/zinc/24/88/03/184248803.db2.gz QVYDTSVQQNYRTP-AWEZNQCLSA-N 2 0 301.356 2.130 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1[C@H]([NH3+])C(C)(C)C ZINC000158478190 197276490 /nfs/dbraw/zinc/27/64/90/197276490.db2.gz UOZRPMWZWWSRQR-NSHDSACASA-N 2 0 303.248 2.253 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000156797537 197141208 /nfs/dbraw/zinc/14/12/08/197141208.db2.gz ULKQZLLFJGDDQD-HIFRSBDPSA-N 2 0 324.513 2.324 10 0 DEAERP c1cc2c(cc1C[N@@H+]1CCS[C@H]3COCC[C@H]31)C[NH2+]CC2 ZINC000564803598 292111797 /nfs/dbraw/zinc/11/17/97/292111797.db2.gz KGJPRVOUIBQCSX-SJORKVTESA-N 2 0 304.459 2.039 10 0 DEAERP [NH3+][C@@H](CC(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000261664526 145215159 /nfs/dbraw/zinc/21/51/59/145215159.db2.gz OHRXHNSJNWYSPN-VFORCBIJSA-N 2 0 301.434 2.099 10 0 DEAERP Cc1cccc(C(=O)N2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261922359 145241684 /nfs/dbraw/zinc/24/16/84/145241684.db2.gz BUHSFPHEOJWGGD-IBGZPJMESA-N 2 0 315.461 2.143 10 0 DEAERP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000261925184 145242407 /nfs/dbraw/zinc/24/24/07/145242407.db2.gz INXYKXMAQONFBL-CHWSQXEVSA-N 2 0 307.413 2.062 10 0 DEAERP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1c1cccc(F)c1 ZINC000262091621 145260312 /nfs/dbraw/zinc/26/03/12/145260312.db2.gz LMKVFBRXSCSWHS-KDOFPFPSSA-N 2 0 319.424 2.031 10 0 DEAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263189829 145334330 /nfs/dbraw/zinc/33/43/30/145334330.db2.gz HSEPDZNCROWEGO-DSLXNQLJSA-N 2 0 318.461 2.280 10 0 DEAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263224048 145338136 /nfs/dbraw/zinc/33/81/36/145338136.db2.gz MLUAUFSLIZPJHC-IUODEOHRSA-N 2 0 306.406 2.224 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000111420917 401714746 /nfs/dbraw/zinc/71/47/46/401714746.db2.gz ORPMYSKWRNNOJU-JKSUJKDBSA-N 2 0 310.486 2.034 10 0 DEAERP C[NH2+][C@@H](C)CC[NH2+]CCCCCCC[NH2+]CC[C@H](C)[NH2+]C ZINC000013650047 401802017 /nfs/dbraw/zinc/80/20/17/401802017.db2.gz LXAPBJWJUXHJMY-IRXDYDNUSA-N 4 0 300.535 2.112 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113614198 401783993 /nfs/dbraw/zinc/78/39/93/401783993.db2.gz NSNRCUDLSHITHR-DLBZAZTESA-N 2 0 324.513 2.377 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000078682351 401861918 /nfs/dbraw/zinc/86/19/18/401861918.db2.gz BYTQVNJQUSXGQW-HNNXBMFYSA-N 2 0 320.481 2.278 10 0 DEAERP CCC(CC)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121070503 402013404 /nfs/dbraw/zinc/01/34/04/402013404.db2.gz PCTMDCTUNWSIBI-GOSISDBHSA-N 2 0 311.514 2.149 10 0 DEAERP COc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121140721 402017098 /nfs/dbraw/zinc/01/70/98/402017098.db2.gz SVFYZNOQXRGPIX-OAHLLOKOSA-N 2 0 306.450 2.220 10 0 DEAERP C[C@H](NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000123196378 402114960 /nfs/dbraw/zinc/11/49/60/402114960.db2.gz PBCKJTZFUNWYTI-IHRRRGAJSA-N 2 0 309.479 2.340 10 0 DEAERP CC[C@H](COC)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000151941438 402067148 /nfs/dbraw/zinc/06/71/48/402067148.db2.gz XZZBNAUQAUZKCB-RTBURBONSA-N 2 0 320.477 2.447 10 0 DEAERP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125235882 402220891 /nfs/dbraw/zinc/22/08/91/402220891.db2.gz UBZYXZLCCWRPBU-JCYILVPMSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176100845 402279041 /nfs/dbraw/zinc/27/90/41/402279041.db2.gz USYQZZRJKGDUQP-GOEBONIOSA-N 2 0 321.469 2.096 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CCC[NH+]1CC ZINC000177511325 402411170 /nfs/dbraw/zinc/41/11/70/402411170.db2.gz ZHIOVCBDXQVXGY-IRXDYDNUSA-N 2 0 324.513 2.377 10 0 DEAERP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238115921 402438436 /nfs/dbraw/zinc/43/84/36/402438436.db2.gz DGZMMFMPEIZOPW-PVAVHDDUSA-N 2 0 307.482 2.336 10 0 DEAERP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237071533 402393737 /nfs/dbraw/zinc/39/37/37/402393737.db2.gz KCLWWBRVBNKHEL-BZSNNMDCSA-N 2 0 315.461 2.285 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C(C)C ZINC000245430988 402459802 /nfs/dbraw/zinc/45/98/02/402459802.db2.gz NUWBNBZRKQGMCQ-SJORKVTESA-N 2 0 324.513 2.373 10 0 DEAERP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000178296574 402481142 /nfs/dbraw/zinc/48/11/42/402481142.db2.gz SMIFZRXUANJBPU-QZTJIDSGSA-N 2 0 324.428 2.461 10 0 DEAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000245764999 402486119 /nfs/dbraw/zinc/48/61/19/402486119.db2.gz QLUXXUBMRHXYLX-RTBURBONSA-N 2 0 321.509 2.070 10 0 DEAERP COC[C@@H](C)C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000187657154 402507015 /nfs/dbraw/zinc/50/70/15/402507015.db2.gz KACWKEUITYYZRW-PKOBYXMFSA-N 2 0 319.493 2.237 10 0 DEAERP CC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246950241 402551104 /nfs/dbraw/zinc/55/11/04/402551104.db2.gz BGWHMOJPYJAPDJ-RBUKOAKNSA-N 2 0 320.477 2.135 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246341726 402525971 /nfs/dbraw/zinc/52/59/71/402525971.db2.gz OVLLSFJPSVARLE-ARFHVFGLSA-N 2 0 312.502 2.087 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000246485664 402533291 /nfs/dbraw/zinc/53/32/91/402533291.db2.gz VZBFWJTWFZYXCJ-IKGGRYGDSA-N 2 0 322.497 2.129 10 0 DEAERP COc1cc2c(cc1OC)CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000262003776 402721533 /nfs/dbraw/zinc/72/15/33/402721533.db2.gz UKBNCQFBDMBUEN-AWEZNQCLSA-N 2 0 304.434 2.104 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000174174130 402729979 /nfs/dbraw/zinc/72/99/79/402729979.db2.gz GYBVFXJIWMRNNF-IKGGRYGDSA-N 2 0 324.513 2.233 10 0 DEAERP [NH3+]C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000333659877 403806084 /nfs/dbraw/zinc/80/60/84/403806084.db2.gz LKRXWLQSAUFACK-IAGOWNOFSA-N 2 0 322.497 2.164 10 0 DEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000333865258 403890741 /nfs/dbraw/zinc/89/07/41/403890741.db2.gz SVGXCRJCKAGWHW-KLHDSHLOSA-N 2 0 316.511 2.243 10 0 DEAERP c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000337588257 404115816 /nfs/dbraw/zinc/11/58/16/404115816.db2.gz LXBSKBOZEKNDTA-SJORKVTESA-N 2 0 300.450 2.267 10 0 DEAERP CC[C@@H]([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851752 405715493 /nfs/dbraw/zinc/71/54/93/405715493.db2.gz RQKZHHQPHNPRRN-DLBZAZTESA-N 2 0 303.450 2.285 10 0 DEAERP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000638852530 405715697 /nfs/dbraw/zinc/71/56/97/405715697.db2.gz YCJHKXMOWFHFET-ZWKOTPCHSA-N 2 0 315.461 2.299 10 0 DEAERP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852531 405715883 /nfs/dbraw/zinc/71/58/83/405715883.db2.gz YCYNIYOTFCVOAY-AEFFLSMTSA-N 2 0 317.477 2.403 10 0 DEAERP c1cnc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000635021884 406404644 /nfs/dbraw/zinc/40/46/44/406404644.db2.gz PIAFGGGELJCXDF-FGTMMUONSA-N 2 0 311.429 2.482 10 0 DEAERP C[C@@H](CCNC(=O)CCC1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000638132715 406587653 /nfs/dbraw/zinc/58/76/53/406587653.db2.gz SDCPEJVBBCXXCS-HNNXBMFYSA-N 2 0 303.450 2.013 10 0 DEAERP CC[NH2+][C@@H](CCCS(=O)(=O)CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000129316670 196038057 /nfs/dbraw/zinc/03/80/57/196038057.db2.gz UCECBOMGCNKDSE-UYTSQGDYSA-N 2 0 316.511 2.052 10 0 DEAERP CCC[NH2+]C[C@](C)(CCC)C[NH+]1CCC(OCCO)CC1 ZINC000129393366 196044107 /nfs/dbraw/zinc/04/41/07/196044107.db2.gz HCXIUUVDGIPEHD-KRWDZBQOSA-N 2 0 300.487 2.266 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390715919 424917363 /nfs/dbraw/zinc/91/73/63/424917363.db2.gz CLTGBNYEXIIQLW-RCCFBDPRSA-N 2 0 315.461 2.142 10 0 DEAERP COCC[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000176106360 274039786 /nfs/dbraw/zinc/03/97/86/274039786.db2.gz APQBUCXCMIUWHK-LPHOPBHVSA-N 2 0 320.477 2.447 10 0 DEAERP COc1ccccc1/C=C\C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349831093 278045849 /nfs/dbraw/zinc/04/58/49/278045849.db2.gz TZZSMDHNIXCZFS-QLBOMPFWSA-N 2 0 317.477 2.324 10 0 DEAERP CCC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)[NH+](C)C ZINC000161802792 278855744 /nfs/dbraw/zinc/85/57/44/278855744.db2.gz SEGLHAHQSXSERL-DLBZAZTESA-N 2 0 305.466 2.444 10 0 DEAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000261788760 280114088 /nfs/dbraw/zinc/11/40/88/280114088.db2.gz STNIHYZXARSDOO-NXHRZFHOSA-N 2 0 319.493 2.384 10 0 DEAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCCCC1 ZINC000261934557 289054669 /nfs/dbraw/zinc/05/46/69/289054669.db2.gz KBPRHKDOMIRVCO-JYJNAYRXSA-N 2 0 307.482 2.288 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000113576718 300313035 /nfs/dbraw/zinc/31/30/35/300313035.db2.gz XYZKXULLXAJXDV-DZGCQCFKSA-N 2 0 322.497 2.174 10 0 DEAERP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCCO2 ZINC000127569158 301903840 /nfs/dbraw/zinc/90/38/40/301903840.db2.gz LXMKVERBZODOBD-AEFFLSMTSA-N 2 0 317.477 2.434 10 0 DEAERP CN(C)C(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000582702389 337122125 /nfs/dbraw/zinc/12/21/25/337122125.db2.gz LQDJPEKDHUHTJI-QGZVFWFLSA-N 2 0 309.498 2.443 10 0 DEAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCN(C(N)=O)CC2)c1 ZINC000161713985 519629196 /nfs/dbraw/zinc/62/91/96/519629196.db2.gz MIFFGQARFZXSRM-UHFFFAOYSA-N 2 0 318.465 2.160 10 0 DEAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000248866403 524828467 /nfs/dbraw/zinc/82/84/67/524828467.db2.gz NIFICXTZUIWNCR-JKSUJKDBSA-N 2 0 303.450 2.237 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000190030772 527977717 /nfs/dbraw/zinc/97/77/17/527977717.db2.gz SAJBRYWINPDVDV-MRXNPFEDSA-N 2 0 324.513 2.233 10 0 DEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000246859801 534941466 /nfs/dbraw/zinc/94/14/66/534941466.db2.gz SHSGBYKDYIUQMK-XYTVBORESA-N 2 0 322.497 2.033 10 0 DEAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554238 535298248 /nfs/dbraw/zinc/29/82/48/535298248.db2.gz UCHCWOOVWMSSQY-IAGOWNOFSA-N 2 0 315.461 2.155 10 0 DEAERP C[C@@H]1CN(Cc2cnc(NC(=O)CC3CC3)s2)CC[C@H]1[NH3+] ZINC000725272093 563577325 /nfs/dbraw/zinc/57/73/25/563577325.db2.gz MDXAZCKEVVSBOI-ZWNOBZJWSA-N 2 0 308.451 2.051 10 0 DEAERP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000232500871 635930013 /nfs/dbraw/zinc/93/00/13/635930013.db2.gz QAKCTPJXOUDRGP-GDBMZVCRSA-N 2 0 323.481 2.460 10 0 DEAERP OC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716653601 792984252 /nfs/dbraw/zinc/98/42/52/792984252.db2.gz ZBUJPMXVOVESPY-QTMHVTGLSA-N 2 0 300.446 2.400 10 0 DEAERP CN(C(=O)CC[NH2+]CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000717153329 799256433 /nfs/dbraw/zinc/25/64/33/799256433.db2.gz YEISCLFJVOUVOG-SFHVURJKSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@H]1C[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000717935494 1081808801 /nfs/dbraw/zinc/80/88/01/1081808801.db2.gz KNINJJDUCIQGOK-FUHWJXTLSA-N 2 0 318.461 2.171 10 0 DEAERP Cn1nc(Br)cc1C[N@H+](C)CCCCCC[NH3+] ZINC000710799605 1086689808 /nfs/dbraw/zinc/68/98/08/1086689808.db2.gz QUFHJPBZFCTDEE-UHFFFAOYSA-N 2 0 303.248 2.134 10 0 DEAERP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000720249100 1089537913 /nfs/dbraw/zinc/53/79/13/1089537913.db2.gz KPNFCMVULAVUFF-NXEZZACHSA-N 2 0 302.287 2.375 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000079121832 185159667 /nfs/dbraw/zinc/15/96/67/185159667.db2.gz BQNMHLJOGLIKAL-MRXNPFEDSA-N 2 0 314.518 2.381 10 0 DEAERP CCC[C@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000087526078 185227665 /nfs/dbraw/zinc/22/76/65/185227665.db2.gz WJOUDCWOYOSANC-CQSZACIVSA-N 2 0 309.479 2.157 10 0 DEAERP CC(C)(CC[NH3+])CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000087705836 185230839 /nfs/dbraw/zinc/23/08/39/185230839.db2.gz GYMGYXCGBSQAKU-UHFFFAOYSA-N 2 0 312.479 2.335 10 0 DEAERP COc1cc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)ccc1F ZINC000179406569 282224569 /nfs/dbraw/zinc/22/45/69/282224569.db2.gz SVXSJASXQGGCBF-CYBMUJFWSA-N 2 0 310.413 2.332 10 0 DEAERP COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000092625203 185329655 /nfs/dbraw/zinc/32/96/55/185329655.db2.gz VXMQUMYNJQMLHN-ZFWWWQNUSA-N 2 0 311.857 2.374 10 0 DEAERP CC[N@@H+]1CCO[C@H](Cn2cc(C[NH3+])c3ccc(Cl)cc32)C1 ZINC000163987699 186144694 /nfs/dbraw/zinc/14/46/94/186144694.db2.gz SIIDBHLZHRBBME-AWEZNQCLSA-N 2 0 307.825 2.474 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000309730800 539878212 /nfs/dbraw/zinc/87/82/12/539878212.db2.gz OZRONCHGRXLOMA-WBVHZDCISA-N 2 0 303.450 2.013 10 0 DEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000246324458 535265288 /nfs/dbraw/zinc/26/52/88/535265288.db2.gz ODMOEZPHLWDPEH-JKSUJKDBSA-N 2 0 312.502 2.090 10 0 DEAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182830760 356147855 /nfs/dbraw/zinc/14/78/55/356147855.db2.gz VDJCQYIHZJPOCQ-CVEARBPZSA-N 2 0 316.511 2.054 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000262679364 356343704 /nfs/dbraw/zinc/34/37/04/356343704.db2.gz VSTVOLDBNXIIEP-HZMVEIRTSA-N 2 0 309.498 2.201 10 0 DEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2COCCO2)C3)cc1 ZINC000447534304 239002330 /nfs/dbraw/zinc/00/23/30/239002330.db2.gz WFJRLBZNCHFVCW-FCGDIQPGSA-N 2 0 316.445 2.187 10 0 DEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591548 239035820 /nfs/dbraw/zinc/03/58/20/239035820.db2.gz DLKKCEAQOGXGGN-IEBWSBKVSA-N 2 0 319.493 2.065 10 0 DEAERP CSC1(C[NH3+])CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000091473675 193061417 /nfs/dbraw/zinc/06/14/17/193061417.db2.gz XFZFUEXPLQEDBO-ZDUSSCGKSA-N 2 0 307.463 2.170 10 0 DEAERP CCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000093132629 193205856 /nfs/dbraw/zinc/20/58/56/193205856.db2.gz JYQLREJWWKPYFL-SFHVURJKSA-N 2 0 317.477 2.297 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@]1(c1ccc(Cl)cc1)C1CC1 ZINC000093374739 193240430 /nfs/dbraw/zinc/24/04/30/193240430.db2.gz MOOYGCICLCNUJA-INIZCTEOSA-N 2 0 306.841 2.137 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@]1(C)c1cc(Cl)ccc1Cl ZINC000093374942 193240487 /nfs/dbraw/zinc/24/04/87/193240487.db2.gz XAHMYVFCAAVTPH-AWEZNQCLSA-N 2 0 315.248 2.401 10 0 DEAERP CC(C)[NH+]1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])CC1 ZINC000094334127 193360395 /nfs/dbraw/zinc/36/03/95/193360395.db2.gz WMCYQQNNEBPGHJ-UHFFFAOYSA-N 2 0 302.344 2.090 10 0 DEAERP CCC[NH2+]CC1CC[NH+]([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644248 193389773 /nfs/dbraw/zinc/38/97/73/193389773.db2.gz SMARNZWVVMWLNM-JKSUJKDBSA-N 2 0 316.511 2.054 10 0 DEAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384661 193367928 /nfs/dbraw/zinc/36/79/28/193367928.db2.gz JWWCXLWNCNVLJP-KLHDSHLOSA-N 2 0 310.507 2.361 10 0 DEAERP CCC[NH2+][C@H]1[C@@H](C[N@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430076 193368983 /nfs/dbraw/zinc/36/89/83/193368983.db2.gz JXNUJKVLOXHSGV-KGLIPLIRSA-N 2 0 300.487 2.261 10 0 DEAERP Cc1ncsc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770310 183130871 /nfs/dbraw/zinc/13/08/71/183130871.db2.gz KSEFQWBHEPOVOD-ZFWWWQNUSA-N 2 0 310.511 2.374 10 0 DEAERP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042951831 183320833 /nfs/dbraw/zinc/32/08/33/183320833.db2.gz OKEHUKYXJSQSLG-BXUZGUMPSA-N 2 0 312.255 2.085 10 0 DEAERP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]C)CC1)c1ccccc1 ZINC000237039698 284753804 /nfs/dbraw/zinc/75/38/04/284753804.db2.gz CWAGQGTZPYRZEE-QGZVFWFLSA-N 2 0 303.450 2.280 10 0 DEAERP CCc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)sc1C[NH2+]C ZINC000110275746 194318611 /nfs/dbraw/zinc/31/86/11/194318611.db2.gz DYJFLBJPBSITGD-CYBMUJFWSA-N 2 0 308.495 2.490 10 0 DEAERP CN(CCC[NH+](C)C)c1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000111138030 194394422 /nfs/dbraw/zinc/39/44/22/194394422.db2.gz VPCZHEMLBIPORA-UHFFFAOYSA-N 2 0 302.344 2.377 10 0 DEAERP C[NH2+][C@@H]1CCCc2nc(N3CCC[N@@H+]4CCC[C@@H]4C3)sc21 ZINC000062942688 184261649 /nfs/dbraw/zinc/26/16/49/184261649.db2.gz UTAFYLPABCISKY-CHWSQXEVSA-N 2 0 306.479 2.414 10 0 DEAERP C[NH2+][C@H]1CCCc2nc(N3CCC[N@@H+]4CCC[C@@H]4C3)sc21 ZINC000062942689 184262166 /nfs/dbraw/zinc/26/21/66/184262166.db2.gz UTAFYLPABCISKY-OLZOCXBDSA-N 2 0 306.479 2.414 10 0 DEAERP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[C@H](C[NH+]2CCCC2)O3)cn1 ZINC000248123071 257108709 /nfs/dbraw/zinc/10/87/09/257108709.db2.gz KRVQBIHGVQQVDV-MSOLQXFVSA-N 2 0 318.465 2.030 10 0 DEAERP C[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)C[NH+]1CCCC1 ZINC000121819518 195353987 /nfs/dbraw/zinc/35/39/87/195353987.db2.gz YJFWXWURYQKUHF-KLAILNCOSA-N 2 0 324.513 2.138 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000358180936 133126480 /nfs/dbraw/zinc/12/64/80/133126480.db2.gz CFAWKHYQBQBYOK-UHFFFAOYSA-N 2 0 322.497 2.058 10 0 DEAERP Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000246683610 145110888 /nfs/dbraw/zinc/11/08/88/145110888.db2.gz JYFPMZPCCGXBHU-IXDOHACOSA-N 2 0 306.450 2.149 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246948790 145120012 /nfs/dbraw/zinc/12/00/12/145120012.db2.gz SAMNBPSGXXPMLY-XYTVBORESA-N 2 0 322.497 2.175 10 0 DEAERP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152020 145149401 /nfs/dbraw/zinc/14/94/01/145149401.db2.gz QWCONAKWUHUDNP-XJKSGUPXSA-N 2 0 305.397 2.180 10 0 DEAERP C[C@H](CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCCCC1 ZINC000248497322 145157415 /nfs/dbraw/zinc/15/74/15/145157415.db2.gz RDXCYYCSBKBFBL-IKGGRYGDSA-N 2 0 322.497 2.129 10 0 DEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000253356495 145202091 /nfs/dbraw/zinc/20/20/91/145202091.db2.gz RMILIKDLGRYCSL-ROUUACIJSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@@]1(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC[NH2+]C1 ZINC000261695444 145217945 /nfs/dbraw/zinc/21/79/45/145217945.db2.gz BFJKXCNKIMGTFU-GOSISDBHSA-N 2 0 307.482 2.147 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261741721 145222158 /nfs/dbraw/zinc/22/21/58/145222158.db2.gz SFCBOVNBEGAQGH-VQHPVUNQSA-N 2 0 307.482 2.288 10 0 DEAERP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]([NH3+])c1ccccc1 ZINC000261881985 145236787 /nfs/dbraw/zinc/23/67/87/145236787.db2.gz UJCJKDFJKPSCEF-JDACHINLSA-N 2 0 301.434 2.064 10 0 DEAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)C1c2ccccc2-c2ccccc21 ZINC000261915470 145241303 /nfs/dbraw/zinc/24/13/03/145241303.db2.gz QSVQDFUAKJOFJH-UHFFFAOYSA-N 2 0 321.424 2.120 10 0 DEAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCCCC1 ZINC000261934572 145244402 /nfs/dbraw/zinc/24/44/02/145244402.db2.gz KBPRHKDOMIRVCO-XHSDSOJGSA-N 2 0 307.482 2.288 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262289177 145273795 /nfs/dbraw/zinc/27/37/95/145273795.db2.gz MTOADYXWIQGFDH-CQSWYHKSSA-N 2 0 321.509 2.377 10 0 DEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000359283116 147298669 /nfs/dbraw/zinc/29/86/69/147298669.db2.gz YBPPHWOQHBVRNH-KRWDZBQOSA-N 2 0 309.498 2.443 10 0 DEAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccoc3C3CC3)C2)CC1 ZINC000374226550 148219945 /nfs/dbraw/zinc/21/99/45/148219945.db2.gz AZNCFJZTSAEESG-CQSZACIVSA-N 2 0 317.433 2.055 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115815249 401837701 /nfs/dbraw/zinc/83/77/01/401837701.db2.gz SBVJIOZQEGJRHI-KRWDZBQOSA-N 2 0 324.513 2.092 10 0 DEAERP NC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047972565 401991287 /nfs/dbraw/zinc/99/12/87/401991287.db2.gz NJLQVGQTMPNHAC-UHFFFAOYSA-N 2 0 301.434 2.093 10 0 DEAERP CC[NH+](CC)CCCN1CC2(C[NH+](Cc3ccccc3)C2)C1=O ZINC000095937427 402034657 /nfs/dbraw/zinc/03/46/57/402034657.db2.gz KLLZYOAZDBTYLM-UHFFFAOYSA-N 2 0 315.461 2.063 10 0 DEAERP CCN1CC[C@H](NC(=O)[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000158199937 402303247 /nfs/dbraw/zinc/30/32/47/402303247.db2.gz SZUYHMYZKJBIJM-IIMNLJJBSA-N 2 0 313.804 2.078 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1sccc1Br ZINC000234797432 402361032 /nfs/dbraw/zinc/36/10/32/402361032.db2.gz FBBNUYKZQQVNPE-VIFPVBQESA-N 2 0 307.257 2.354 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)cs1 ZINC000234729385 402361141 /nfs/dbraw/zinc/36/11/41/402361141.db2.gz IGGWPDQEHRMEJW-SNVBAGLBSA-N 2 0 307.257 2.354 10 0 DEAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+]1CCCC1 ZINC000236666530 402372830 /nfs/dbraw/zinc/37/28/30/402372830.db2.gz VZOFSRGFHCDJTE-IAGOWNOFSA-N 2 0 321.509 2.393 10 0 DEAERP O=C(C[NH2+]C1CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000238161501 402439644 /nfs/dbraw/zinc/43/96/44/402439644.db2.gz QFGPODJONSFDGJ-AYHJJNSGSA-N 2 0 313.445 2.050 10 0 DEAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)n1 ZINC000186975061 402475190 /nfs/dbraw/zinc/47/51/90/402475190.db2.gz IFZITPDGMAJXAP-HNNXBMFYSA-N 2 0 305.466 2.223 10 0 DEAERP Cc1nc(C)n(C[C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245707946 402481594 /nfs/dbraw/zinc/48/15/94/402481594.db2.gz YWKJFKVVJPPIER-IAGOWNOFSA-N 2 0 305.470 2.091 10 0 DEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000245965706 402500879 /nfs/dbraw/zinc/50/08/79/402500879.db2.gz DOVRFYNOYUFVER-ZACQAIPSSA-N 2 0 324.513 2.090 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000246327965 402525212 /nfs/dbraw/zinc/52/52/12/402525212.db2.gz CPXMDWUDKAMSFD-RDJZCZTQSA-N 2 0 324.513 2.233 10 0 DEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246406420 402529497 /nfs/dbraw/zinc/52/94/97/402529497.db2.gz LQPBHMDPEGZRNY-BBWFWOEESA-N 2 0 324.513 2.088 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173828811 402714794 /nfs/dbraw/zinc/71/47/94/402714794.db2.gz ZAHUOAMEKRSMDL-BBWFWOEESA-N 2 0 324.513 2.373 10 0 DEAERP COc1cc2c(cc1OC)CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262064380 286258489 /nfs/dbraw/zinc/25/84/89/286258489.db2.gz RKOVUWFLAYFXFY-GOSISDBHSA-N 2 0 304.434 2.104 10 0 DEAERP C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000173395650 402696168 /nfs/dbraw/zinc/69/61/68/402696168.db2.gz KNCKRNWPPUGNEL-HZPDHXFCSA-N 2 0 324.513 2.375 10 0 DEAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192482520 402731818 /nfs/dbraw/zinc/73/18/18/402731818.db2.gz SQFUJRRITVIBRG-CYBMUJFWSA-N 2 0 305.447 2.031 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C(C)C ZINC000174358749 402737929 /nfs/dbraw/zinc/73/79/29/402737929.db2.gz NUWBNBZRKQGMCQ-IAGOWNOFSA-N 2 0 324.513 2.373 10 0 DEAERP C[C@@H]1CCC[C@](CNC(=O)c2c[nH+]ccc2N(C)C)([NH+](C)C)C1 ZINC000183440293 402767603 /nfs/dbraw/zinc/76/76/03/402767603.db2.gz XXCXDRTXRSWWOC-KDOFPFPSSA-N 2 0 318.465 2.388 10 0 DEAERP C[C@@H]1CCC[C@@](CNC(=O)c2c[nH+]ccc2N(C)C)([NH+](C)C)C1 ZINC000183440251 402767709 /nfs/dbraw/zinc/76/77/09/402767709.db2.gz XXCXDRTXRSWWOC-RDTXWAMCSA-N 2 0 318.465 2.388 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183730683 402792865 /nfs/dbraw/zinc/79/28/65/402792865.db2.gz HQQKKJJKUFXMMA-INIZCTEOSA-N 2 0 324.513 2.282 10 0 DEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccccc1 ZINC000333559165 403780215 /nfs/dbraw/zinc/78/02/15/403780215.db2.gz KPHOOXOTIZNUHT-WCXIOVBPSA-N 2 0 316.449 2.001 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000309692963 403961569 /nfs/dbraw/zinc/96/15/69/403961569.db2.gz DJTIEQWJMRGRBX-DLBZAZTESA-N 2 0 317.477 2.403 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000309692975 403962082 /nfs/dbraw/zinc/96/20/82/403962082.db2.gz DJTIEQWJMRGRBX-IRXDYDNUSA-N 2 0 317.477 2.403 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379634942 405027606 /nfs/dbraw/zinc/02/76/06/405027606.db2.gz VOBDJXOZIIUJPS-QRQLOZEOSA-N 2 0 319.493 2.383 10 0 DEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CC[NH2+]C1 ZINC000400788661 405063336 /nfs/dbraw/zinc/06/33/36/405063336.db2.gz RIMICKDSYNKHRL-MVBLQPKNSA-N 3 0 313.489 2.485 10 0 DEAERP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852534 405715780 /nfs/dbraw/zinc/71/57/80/405715780.db2.gz YCYNIYOTFCVOAY-WMZOPIPTSA-N 2 0 317.477 2.403 10 0 DEAERP c1cc2c(o1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423517388 405837025 /nfs/dbraw/zinc/83/70/25/405837025.db2.gz YHGKWEUQGJWULI-VMBOVVBDSA-N 2 0 303.450 2.463 10 0 DEAERP O=C1CC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347665 405848729 /nfs/dbraw/zinc/84/87/29/405848729.db2.gz IPTLPQXRFPRNSO-ZWKOTPCHSA-N 2 0 321.509 2.491 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000134015539 196353111 /nfs/dbraw/zinc/35/31/11/196353111.db2.gz MONFZPMXMJLONG-QGZVFWFLSA-N 2 0 322.497 2.033 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000194335892 424874792 /nfs/dbraw/zinc/87/47/92/424874792.db2.gz WZGHCRLIUXECHW-INIZCTEOSA-N 2 0 304.438 2.354 10 0 DEAERP C[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000382769458 424910277 /nfs/dbraw/zinc/91/02/77/424910277.db2.gz ZQBKDVDNDUBQQC-LPHOPBHVSA-N 2 0 315.461 2.252 10 0 DEAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000384327419 424910988 /nfs/dbraw/zinc/91/09/88/424910988.db2.gz XWVURJYZTVAFNS-SZMVWBNQSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000384327416 424911067 /nfs/dbraw/zinc/91/10/67/424911067.db2.gz XWVURJYZTVAFNS-CGTJXYLNSA-N 2 0 315.461 2.013 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390700834 424917579 /nfs/dbraw/zinc/91/75/79/424917579.db2.gz CQFPQIJDQFJXOE-ZWKOTPCHSA-N 2 0 317.477 2.388 10 0 DEAERP CC(=O)[C@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000450494470 277100315 /nfs/dbraw/zinc/10/03/15/277100315.db2.gz MAQOLAFSNRQDSE-CRAIPNDOSA-N 2 0 310.482 2.303 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136979158 279125625 /nfs/dbraw/zinc/12/56/25/279125625.db2.gz BKWAJRGGNLISKM-ZACQAIPSSA-N 2 0 324.513 2.088 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079495619 279128932 /nfs/dbraw/zinc/12/89/32/279128932.db2.gz MCKQQZANKCGZBF-HZPDHXFCSA-N 2 0 314.518 2.238 10 0 DEAERP C[C@@]1(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261707701 279158975 /nfs/dbraw/zinc/15/89/75/279158975.db2.gz DFRJZWWUPLCBEQ-GOSISDBHSA-N 2 0 305.441 2.333 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667824 279263714 /nfs/dbraw/zinc/26/37/14/279263714.db2.gz ZNZZSZNTLDZSLX-DLBZAZTESA-N 2 0 307.482 2.338 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000246966154 279325775 /nfs/dbraw/zinc/32/57/75/279325775.db2.gz FYBSMNJMKRZHRA-SJORKVTESA-N 2 0 324.513 2.090 10 0 DEAERP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263295480 279377015 /nfs/dbraw/zinc/37/70/15/279377015.db2.gz WGJZMJMLTZRLHG-BFVZDQMLSA-N 2 0 303.233 2.094 10 0 DEAERP CC1(C)OCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397710770 337281914 /nfs/dbraw/zinc/28/19/14/337281914.db2.gz YTJVFGFUVFYJAK-KRWDZBQOSA-N 2 0 318.461 2.171 10 0 DEAERP C[NH+](C)CCCN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134251 623052181 /nfs/dbraw/zinc/05/21/81/623052181.db2.gz NCZQOMVNMHZMCQ-UHFFFAOYSA-N 2 0 308.426 2.234 10 0 DEAERP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000066243426 625057033 /nfs/dbraw/zinc/05/70/33/625057033.db2.gz YULHAKXZYYLSPS-OAHLLOKOSA-N 2 0 318.465 2.226 10 0 DEAERP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309815924 625779852 /nfs/dbraw/zinc/77/98/52/625779852.db2.gz XTCDHHAWBGCNSR-XOYOTBSWSA-N 2 0 315.461 2.011 10 0 DEAERP Cn1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C)c3)C2)c1 ZINC000886088672 692000892 /nfs/dbraw/zinc/00/08/92/692000892.db2.gz IBXNIZWETBNHBO-GOSISDBHSA-N 2 0 314.433 2.135 10 0 DEAERP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000715543559 792476550 /nfs/dbraw/zinc/47/65/50/792476550.db2.gz PZSCRMFBKWPSCZ-CABCVRRESA-N 2 0 311.470 2.316 10 0 DEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCN1CCCC1 ZINC000073649767 796156549 /nfs/dbraw/zinc/15/65/49/796156549.db2.gz YLFIRRBBKLWADN-UHFFFAOYSA-N 2 0 317.477 2.347 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000075334493 1080237439 /nfs/dbraw/zinc/23/74/39/1080237439.db2.gz NVCTVONVDGFOEO-IRXDYDNUSA-N 2 0 309.498 2.440 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000079292536 185163774 /nfs/dbraw/zinc/16/37/74/185163774.db2.gz ZLSZJXZXVPIPAU-CVEARBPZSA-N 2 0 312.502 2.136 10 0 DEAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2nc(C3CC3)ns2)CC1 ZINC000087639632 185229751 /nfs/dbraw/zinc/22/97/51/185229751.db2.gz QEXIBIKGYLXIAV-CYBMUJFWSA-N 2 0 309.483 2.055 10 0 DEAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000176609758 282189165 /nfs/dbraw/zinc/18/91/65/282189165.db2.gz ANDVXPFFNXGVDN-NVXWUHKLSA-N 2 0 322.497 2.129 10 0 DEAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000093286839 282205919 /nfs/dbraw/zinc/20/59/19/282205919.db2.gz MWLYAIFBTRAMNH-TZMCWYRMSA-N 2 0 310.486 2.078 10 0 DEAERP C[NH2+][C@H](C[C@H]1C[N@H+](C)CCN1C)c1ccc(F)c(F)c1F ZINC000149555007 186051176 /nfs/dbraw/zinc/05/11/76/186051176.db2.gz LIIFYOHZVFKSHB-GXFFZTMASA-N 2 0 301.356 2.000 10 0 DEAERP CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@H]1C[N@H+](C)CCN1C ZINC000149684724 186052533 /nfs/dbraw/zinc/05/25/33/186052533.db2.gz ASTUJZHLYYNLOS-HOTGVXAUSA-N 2 0 309.885 2.497 10 0 DEAERP CCC[C@@]1(C(=O)c2c(Cl)cnn2CC[NH+](C)C)CC[NH2+]C1 ZINC000164262508 186154164 /nfs/dbraw/zinc/15/41/64/186154164.db2.gz KRBBSTNCPXQEEG-OAHLLOKOSA-N 2 0 312.845 2.061 10 0 DEAERP C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)C1 ZINC000164306535 186155440 /nfs/dbraw/zinc/15/54/40/186155440.db2.gz BVDRAIZYZGQGKE-SNVBAGLBSA-N 2 0 300.328 2.130 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)[nH]c1C ZINC000585694001 357346765 /nfs/dbraw/zinc/34/67/65/357346765.db2.gz FYVGVRKSMPYNNH-INIZCTEOSA-N 2 0 320.481 2.120 10 0 DEAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000091392537 193050769 /nfs/dbraw/zinc/05/07/69/193050769.db2.gz QLBLSRSAPNLIPK-QWRGUYRKSA-N 2 0 316.243 2.068 10 0 DEAERP CCC[N@H+](CC(=O)Nc1nc(C)cs1)C1CCC([NH3+])CC1 ZINC000091852537 193117677 /nfs/dbraw/zinc/11/76/77/193117677.db2.gz GYYSAWIKHCROPL-UHFFFAOYSA-N 2 0 310.467 2.372 10 0 DEAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)c(C)c1 ZINC000629654954 367289504 /nfs/dbraw/zinc/28/95/04/367289504.db2.gz UREJTFIBOTVERJ-UHFFFAOYSA-N 2 0 315.255 2.425 10 0 DEAERP CC[NH+](CC)CCOc1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336854 193361328 /nfs/dbraw/zinc/36/13/28/193361328.db2.gz LRIQKMMLSASLOS-UHFFFAOYSA-N 2 0 304.316 2.105 10 0 DEAERP [NH3+]C[C@@H](Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020398429 182214360 /nfs/dbraw/zinc/21/43/60/182214360.db2.gz OJFYIPUWLFPYCB-HXUWFJFHSA-N 2 0 309.457 2.374 10 0 DEAERP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000104405454 194005413 /nfs/dbraw/zinc/00/54/13/194005413.db2.gz WMWRVYDBTPDANG-UHFFFAOYSA-N 2 0 315.461 2.449 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184831343 284803818 /nfs/dbraw/zinc/80/38/18/284803818.db2.gz FXDSUPIYMWPZNQ-JKSUJKDBSA-N 2 0 312.502 2.280 10 0 DEAERP CC[NH2+]Cc1sc(N2CC[C@H]([NH+]3CCCC3)C2)nc1CC ZINC000110275668 194318673 /nfs/dbraw/zinc/31/86/73/194318673.db2.gz PFVUGWWFTZPHGF-ZDUSSCGKSA-N 2 0 308.495 2.490 10 0 DEAERP CC[NH2+]Cc1c(N2CC[N@H+](C)[C@@H](CC)C2)nc2sccn12 ZINC000110730698 194354903 /nfs/dbraw/zinc/35/49/03/194354903.db2.gz RCHCWMOPCNYQTE-LBPRGKRZSA-N 2 0 307.467 2.036 10 0 DEAERP CC(C)CCCOC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071503 184204318 /nfs/dbraw/zinc/20/43/18/184204318.db2.gz DEGVAZHVRNOIAA-SJORKVTESA-N 2 0 300.487 2.122 10 0 DEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000062964025 184262789 /nfs/dbraw/zinc/26/27/89/184262789.db2.gz RMGGHAGXSUZBHP-RISCZKNCSA-N 2 0 312.255 2.085 10 0 DEAERP CC(C)C[NH2+]C[C@]1(C[N@@H+]2CCSC(C)(C)C2)CCOC1 ZINC000159132039 197330182 /nfs/dbraw/zinc/33/01/82/197330182.db2.gz KCDQHDWYRREMJG-INIZCTEOSA-N 2 0 300.512 2.466 10 0 DEAERP CC(C)(C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000158280082 197259293 /nfs/dbraw/zinc/25/92/93/197259293.db2.gz RUJCNIOEXHOSIZ-AWEZNQCLSA-N 2 0 309.479 2.156 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000157743545 197211414 /nfs/dbraw/zinc/21/14/14/197211414.db2.gz ZDTRDMLPJZWEFG-HNNXBMFYSA-N 2 0 312.502 2.138 10 0 DEAERP Cc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000156676423 197132133 /nfs/dbraw/zinc/13/21/33/197132133.db2.gz XETNKIHGQJBAIB-CYBMUJFWSA-N 2 0 304.463 2.007 10 0 DEAERP CC[NH+]1CCC(N(C)c2cc(C)[nH+]c(C)c2C(N)=S)CC1 ZINC000156656162 197131085 /nfs/dbraw/zinc/13/10/85/197131085.db2.gz IJOCCISDWJFYHU-UHFFFAOYSA-N 2 0 306.479 2.253 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000245475261 285236234 /nfs/dbraw/zinc/23/62/34/285236234.db2.gz RTBYDEDWFBIQTL-BRWVUGGUSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)C[NH+]1CCCC1 ZINC000121819328 195354459 /nfs/dbraw/zinc/35/44/59/195354459.db2.gz YJFWXWURYQKUHF-GTPINHCMSA-N 2 0 324.513 2.138 10 0 DEAERP O[C@@H](COc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193078801 145082560 /nfs/dbraw/zinc/08/25/60/145082560.db2.gz UUJPHFDRIYOUFF-GOSISDBHSA-N 2 0 318.461 2.234 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247249523 145130398 /nfs/dbraw/zinc/13/03/98/145130398.db2.gz NNEVRYHXLLJCHW-NVXWUHKLSA-N 2 0 322.497 2.129 10 0 DEAERP C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544242 145205985 /nfs/dbraw/zinc/20/59/85/145205985.db2.gz ISAQTBREBDLJFL-FPAYPSAMSA-N 2 0 301.478 2.485 10 0 DEAERP Cc1ccccc1C(=O)NC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261776722 145225073 /nfs/dbraw/zinc/22/50/73/145225073.db2.gz NKWYECMJYJROCR-IBGZPJMESA-N 2 0 315.461 2.189 10 0 DEAERP CCOc1ccc(NC(=O)[C@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891355 145238741 /nfs/dbraw/zinc/23/87/41/145238741.db2.gz VOKRWOYEKRQYBH-XJKSGUPXSA-N 2 0 319.449 2.472 10 0 DEAERP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922022 145241765 /nfs/dbraw/zinc/24/17/65/145241765.db2.gz IAFGLHVIGCCCRS-KBPBESRZSA-N 2 0 307.413 2.064 10 0 DEAERP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCCO2 ZINC000262019308 145253759 /nfs/dbraw/zinc/25/37/59/145253759.db2.gz NBRPGANIBCTBOJ-UHFFFAOYSA-N 2 0 318.417 2.042 10 0 DEAERP Cc1ccc(NC(=O)C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)nc1 ZINC000262038300 145256237 /nfs/dbraw/zinc/25/62/37/145256237.db2.gz OWUXXCQRRAGZJO-GOSISDBHSA-N 2 0 316.449 2.040 10 0 DEAERP Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1C ZINC000262097142 145261294 /nfs/dbraw/zinc/26/12/94/145261294.db2.gz LVLSKSLDSNPADC-SFHVURJKSA-N 2 0 315.461 2.262 10 0 DEAERP CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)CC2CC[NH2+]CC2)cc1 ZINC000262116396 145263096 /nfs/dbraw/zinc/26/30/96/145263096.db2.gz BMRDMZZMYYXGEW-OAHLLOKOSA-N 2 0 317.477 2.487 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073654652 401719818 /nfs/dbraw/zinc/71/98/18/401719818.db2.gz KMQFDLIMKLCUAC-HOTGVXAUSA-N 2 0 312.502 2.233 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000078434394 401850952 /nfs/dbraw/zinc/85/09/52/401850952.db2.gz XNKSYCJXBCXYTD-DOTOQJQBSA-N 2 0 320.481 2.319 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000078682353 401861932 /nfs/dbraw/zinc/86/19/32/401861932.db2.gz BYTQVNJQUSXGQW-OAHLLOKOSA-N 2 0 320.481 2.278 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000122428163 402077876 /nfs/dbraw/zinc/07/78/76/402077876.db2.gz CJSKBHBCKOTGBL-OTBWCIGPSA-N 2 0 324.513 2.135 10 0 DEAERP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc(OC)c1OC ZINC000154559934 402218286 /nfs/dbraw/zinc/21/82/86/402218286.db2.gz ICHYZJOQUMLDGK-JSGCOSHPSA-N 2 0 308.422 2.457 10 0 DEAERP CC[N@H+](C)C[C@H]1CCN([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462657 402463340 /nfs/dbraw/zinc/46/33/40/402463340.db2.gz XAXHSPNCIPVSMU-AEFFLSMTSA-N 2 0 315.461 2.374 10 0 DEAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)n1 ZINC000186975043 402474998 /nfs/dbraw/zinc/47/49/98/402474998.db2.gz IFZITPDGMAJXAP-OAHLLOKOSA-N 2 0 305.466 2.223 10 0 DEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178824171 402543841 /nfs/dbraw/zinc/54/38/41/402543841.db2.gz HKZSRTUWDCFGJC-XSLAGTTESA-N 2 0 319.493 2.242 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C)c2)[C@@H](C)C1 ZINC000246825015 402546321 /nfs/dbraw/zinc/54/63/21/402546321.db2.gz NXEJOYADSBKPSV-LNLFQRSKSA-N 2 0 320.477 2.397 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833479 402531025 /nfs/dbraw/zinc/53/10/25/402531025.db2.gz KYFGSLWHQRDITR-OAGGEKHMSA-N 2 0 324.513 2.088 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246535284 402535506 /nfs/dbraw/zinc/53/55/06/402535506.db2.gz WAFOKBIQKUUCJH-DLBZAZTESA-N 2 0 324.513 2.234 10 0 DEAERP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246579777 402537093 /nfs/dbraw/zinc/53/70/93/402537093.db2.gz ZSKYIBXCPBFJDN-IRXDYDNUSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000248489736 402593361 /nfs/dbraw/zinc/59/33/61/402593361.db2.gz NCVZOYDRTZXAPJ-BBWFWOEESA-N 2 0 324.513 2.375 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000173669357 402707653 /nfs/dbraw/zinc/70/76/53/402707653.db2.gz UFCPMOALFPLLQL-RDJZCZTQSA-N 2 0 324.513 2.231 10 0 DEAERP CCCn1ccnc1CCCN(C)Cc1nnc(C)n1CC ZINC000191502854 402674114 /nfs/dbraw/zinc/67/41/14/402674114.db2.gz ZFYJEGQFBBGVTG-UHFFFAOYSA-N 2 0 304.442 2.278 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000174195294 402731076 /nfs/dbraw/zinc/73/10/76/402731076.db2.gz PCZCJBJUAGXXIH-INIZCTEOSA-N 2 0 312.502 2.279 10 0 DEAERP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccnn1C ZINC000192689505 402744318 /nfs/dbraw/zinc/74/43/18/402744318.db2.gz ZQHNUFFMFCINJQ-AWEZNQCLSA-N 2 0 302.422 2.211 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000309692969 403962276 /nfs/dbraw/zinc/96/22/76/403962276.db2.gz DJTIEQWJMRGRBX-IAGOWNOFSA-N 2 0 317.477 2.403 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323581683 404092693 /nfs/dbraw/zinc/09/26/93/404092693.db2.gz ZCGVUNLSMMWWRT-QGZVFWFLSA-N 2 0 303.450 2.094 10 0 DEAERP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000337588254 404116092 /nfs/dbraw/zinc/11/60/92/404116092.db2.gz LXBSKBOZEKNDTA-IRXDYDNUSA-N 2 0 300.450 2.267 10 0 DEAERP CC[C@@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000360468118 404828838 /nfs/dbraw/zinc/82/88/38/404828838.db2.gz UFNSNAQLMOTEJD-VQIMIIECSA-N 2 0 317.477 2.403 10 0 DEAERP C[NH+](C)CCOC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435134037 404958311 /nfs/dbraw/zinc/95/83/11/404958311.db2.gz FHQMHEJFZXFXSZ-UHFFFAOYSA-N 2 0 318.421 2.212 10 0 DEAERP [NH3+]CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379653950 405028119 /nfs/dbraw/zinc/02/81/19/405028119.db2.gz HFHZUYHJYMKNAM-KRWDZBQOSA-N 2 0 303.450 2.286 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396358774 405056870 /nfs/dbraw/zinc/05/68/70/405056870.db2.gz IDOATYQVOPAMJR-NVXWUHKLSA-N 2 0 303.450 2.093 10 0 DEAERP c1cc(OCCN2CCOCC2)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000639223484 405985726 /nfs/dbraw/zinc/98/57/26/405985726.db2.gz VPYDGKXCKSUAHF-LJQANCHMSA-N 2 0 316.445 2.382 10 0 DEAERP C[C@H](CCNC(=O)C1=CC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000638133772 406588292 /nfs/dbraw/zinc/58/82/92/406588292.db2.gz XVBSHEXAMFFQDZ-PBHICJAKSA-N 2 0 301.434 2.061 10 0 DEAERP C[C@@H]1CC(O)C[C@H](C)[NH+]1C/C=C/C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191159268 287230826 /nfs/dbraw/zinc/23/08/26/287230826.db2.gz DVVAKBYCUZLMPB-HLMPETLESA-N 2 0 310.482 2.010 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333907047 269003471 /nfs/dbraw/zinc/00/34/71/269003471.db2.gz CZJFXFGGGALMBH-OWCLPIDISA-N 2 0 324.513 2.184 10 0 DEAERP C[NH+](C)C1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCCCCC1 ZINC000333926514 269005084 /nfs/dbraw/zinc/00/50/84/269005084.db2.gz VMAWQOMLLIKMKS-HNNXBMFYSA-N 2 0 310.486 2.082 10 0 DEAERP COCCC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397611541 269106457 /nfs/dbraw/zinc/10/64/57/269106457.db2.gz ZXFGUCGOOVVHGA-KRWDZBQOSA-N 2 0 320.477 2.418 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397602070 269107018 /nfs/dbraw/zinc/10/70/18/269107018.db2.gz UUVMWCNHAHKFSE-LJQANCHMSA-N 3 0 319.493 2.242 10 0 DEAERP Brc1ccc2ncc(C[NH2+]CCCN3CCC3)n2c1 ZINC000514664068 269326961 /nfs/dbraw/zinc/32/69/61/269326961.db2.gz JBLIULQSBDAJRW-UHFFFAOYSA-N 2 0 323.238 2.282 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172560957 276374714 /nfs/dbraw/zinc/37/47/14/276374714.db2.gz KINUTIJARRCHCD-INIZCTEOSA-N 2 0 322.497 2.131 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000103613465 519842288 /nfs/dbraw/zinc/84/22/88/519842288.db2.gz FDJBFKIADNFQSX-UHFFFAOYSA-N 2 0 324.513 2.092 10 0 DEAERP C[NH+](C)CCCCCCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105194323 524051942 /nfs/dbraw/zinc/05/19/42/524051942.db2.gz MELPZHQTGGRJED-KRWDZBQOSA-N 2 0 324.513 2.378 10 0 DEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000246486414 524612918 /nfs/dbraw/zinc/61/29/18/524612918.db2.gz OYWZQCFURGNVJC-XAJHFOFHSA-N 2 0 307.482 2.144 10 0 DEAERP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360154600 535048148 /nfs/dbraw/zinc/04/81/48/535048148.db2.gz TXLREYPBNJGOKG-FUHWJXTLSA-N 2 0 317.477 2.403 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000246718089 535449716 /nfs/dbraw/zinc/44/97/16/535449716.db2.gz ABARQJLBKWJTRM-WBVHZDCISA-N 2 0 324.513 2.136 10 0 DEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000261781910 636413040 /nfs/dbraw/zinc/41/30/40/636413040.db2.gz RYENJRUUUNZLPZ-IKGGRYGDSA-N 2 0 317.481 2.346 10 0 DEAERP C[C@]1(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033359 637057873 /nfs/dbraw/zinc/05/78/73/637057873.db2.gz OGGWFLLRUZPKRC-YJBOKZPZSA-N 3 0 302.466 2.398 10 0 DEAERP S=C1OCCN1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155078035 648177436 /nfs/dbraw/zinc/17/74/36/648177436.db2.gz CVWQLLHVYLGIRA-UHFFFAOYSA-N 2 0 311.495 2.149 10 0 DEAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382722015 685405394 /nfs/dbraw/zinc/40/53/94/685405394.db2.gz NZHSICNSBGTJLO-AOIWGVFYSA-N 2 0 301.478 2.438 10 0 DEAERP C[NH+](C)C1CC([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724083248 777237601 /nfs/dbraw/zinc/23/76/01/777237601.db2.gz QGCLVALAZVCSSX-HESLUPGFSA-N 2 0 311.470 2.362 10 0 DEAERP CC1(C)COC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397610165 790205624 /nfs/dbraw/zinc/20/56/24/790205624.db2.gz YYXOIFXIJXJLOM-KRWDZBQOSA-N 2 0 318.461 2.028 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1sccc1Br ZINC000713115648 792213941 /nfs/dbraw/zinc/21/39/41/792213941.db2.gz HRFNLPOQBDZDLQ-JTQLQIEISA-N 2 0 321.284 2.397 10 0 DEAERP C[S@@](=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681747 793000951 /nfs/dbraw/zinc/00/09/51/793000951.db2.gz ZACDEFDZIVPLNM-RQXXJAGISA-N 2 0 320.502 2.398 10 0 DEAERP COCC(COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716712019 793002860 /nfs/dbraw/zinc/00/28/60/793002860.db2.gz JAGLOVTWRAMDIH-LNLFQRSKSA-N 2 0 318.461 2.291 10 0 DEAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000405625708 802076053 /nfs/dbraw/zinc/07/60/53/802076053.db2.gz QTWGBJAXDANFEC-XYJFISCASA-N 2 0 318.461 2.027 10 0 DEAERP c1csc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000047718674 1078399875 /nfs/dbraw/zinc/39/98/75/1078399875.db2.gz ILYLACAYOFMOLC-UHFFFAOYSA-N 2 0 320.462 2.340 10 0 DEAERP C[N@H+](Cc1ccccc1)[C@H](CNC1=[NH+]CCCCN1)C1CC1 ZINC000717998292 1081857080 /nfs/dbraw/zinc/85/70/80/1081857080.db2.gz HMNFTTIVVKZEEH-QGZVFWFLSA-N 2 0 300.450 2.226 10 0 DEAERP C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000710973816 1086692573 /nfs/dbraw/zinc/69/25/73/1086692573.db2.gz RYNKAZYXCNROLY-CQSZACIVSA-N 2 0 311.470 2.175 10 0 DEAERP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711440671 1087112604 /nfs/dbraw/zinc/11/26/04/1087112604.db2.gz UTORJFFKSFANJJ-SOUVJXGZSA-N 2 0 311.470 2.221 10 0 DEAERP C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000720247716 1089537729 /nfs/dbraw/zinc/53/77/29/1089537729.db2.gz CFBATMNYHJBKBS-VIFPVBQESA-N 2 0 304.303 2.478 10 0 DEAERP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000720249101 1089538527 /nfs/dbraw/zinc/53/85/27/1089538527.db2.gz KPNFCMVULAVUFF-UWVGGRQHSA-N 2 0 302.287 2.375 10 0 DEAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2nc(C(C)C)ns2)CC1 ZINC000087639636 185229884 /nfs/dbraw/zinc/22/98/84/185229884.db2.gz YPNYXFZZHNMZQC-CYBMUJFWSA-N 2 0 311.499 2.301 10 0 DEAERP CC[NH2+][C@@H]1COC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000090495465 185299030 /nfs/dbraw/zinc/29/90/30/185299030.db2.gz YFZRVLWQFOVJJH-JOYOIKCWSA-N 2 0 319.268 2.225 10 0 DEAERP C[NH2+][C@@H](Cc1c(C)nn(C)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000167344610 197706838 /nfs/dbraw/zinc/70/68/38/197706838.db2.gz QVZFAHTZBIFYEM-FLTXBFBQSA-N 2 0 310.873 2.385 10 0 DEAERP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000195125215 282369377 /nfs/dbraw/zinc/36/93/77/282369377.db2.gz FOSBUVPCQXQHNS-DLBZAZTESA-N 2 0 324.513 2.280 10 0 DEAERP C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246195987 282427230 /nfs/dbraw/zinc/42/72/30/282427230.db2.gz ADNXLJJYNBYUFV-ZXDRNQKISA-N 2 0 309.498 2.484 10 0 DEAERP C[NH+](C)CCCCN1Cc2c(cc(F)c(F)c2F)[C@@H]1C[NH3+] ZINC000071683681 191007220 /nfs/dbraw/zinc/00/72/20/191007220.db2.gz YVFHXTBVSXWXSJ-ZDUSSCGKSA-N 2 0 301.356 2.261 10 0 DEAERP CC[C@@H](C)[C@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000159682309 186135325 /nfs/dbraw/zinc/13/53/25/186135325.db2.gz YXVITRKGXAHEEJ-KOLCDFICSA-N 2 0 303.248 2.253 10 0 DEAERP CCC(CC)[C@@H](CNC(=O)CC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000164391816 186157876 /nfs/dbraw/zinc/15/78/76/186157876.db2.gz OXZKWAFDZGJIIL-QGZVFWFLSA-N 2 0 309.498 2.393 10 0 DEAERP [NH3+]Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)co1 ZINC000188040048 186248051 /nfs/dbraw/zinc/24/80/51/186248051.db2.gz HBNBAGPCYJKUJS-UHFFFAOYSA-N 2 0 313.401 2.264 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000302966407 539861213 /nfs/dbraw/zinc/86/12/13/539861213.db2.gz WANXACUDAYNDEC-QGZVFWFLSA-N 2 0 315.461 2.157 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)n2)CC1 ZINC000173682339 198240047 /nfs/dbraw/zinc/24/00/47/198240047.db2.gz NLGCSTHPTPXAEU-ZDUSSCGKSA-N 2 0 311.857 2.260 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775328 198383197 /nfs/dbraw/zinc/38/31/97/198383197.db2.gz AVDKHRUMLQZBEC-PBHICJAKSA-N 2 0 319.449 2.296 10 0 DEAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000066243150 354705465 /nfs/dbraw/zinc/70/54/65/354705465.db2.gz YISBPUYZCQHKDF-HNNXBMFYSA-N 2 0 300.450 2.357 10 0 DEAERP Cc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3CO)CC2)c(C)c1 ZINC000169782040 355983109 /nfs/dbraw/zinc/98/31/09/355983109.db2.gz MMNXJAMUFWFBHY-SFHVURJKSA-N 2 0 302.462 2.440 10 0 DEAERP C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474203 283157534 /nfs/dbraw/zinc/15/75/34/283157534.db2.gz ZCROUABMQZYINY-RWQQGDIJSA-N 2 0 301.478 2.485 10 0 DEAERP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000193295448 201022590 /nfs/dbraw/zinc/02/25/90/201022590.db2.gz OHMDXWCCICMEKO-ZDUSSCGKSA-N 2 0 307.413 2.034 10 0 DEAERP CSC1(C[NH3+])CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000091471875 193061398 /nfs/dbraw/zinc/06/13/98/193061398.db2.gz DDMBECRNKNCFAZ-UHFFFAOYSA-N 2 0 307.463 2.090 10 0 DEAERP c1cc2c(cc1CNc1ccc3c(c1)OCC[NH2+]C3)C[NH2+]CC2 ZINC000629660868 367290279 /nfs/dbraw/zinc/29/02/79/367290279.db2.gz ACJOWWGUQZOTTN-UHFFFAOYSA-N 2 0 309.413 2.426 10 0 DEAERP CC[NH2+][C@H](C)C1CC[NH+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634005 193385700 /nfs/dbraw/zinc/38/57/00/193385700.db2.gz JCOICSWSOXIHGO-BMFZPTHFSA-N 2 0 316.511 2.052 10 0 DEAERP CC(C)[C@H](C[NH2+][C@H]1CSCC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000094488511 193373642 /nfs/dbraw/zinc/37/36/42/193373642.db2.gz FQIDWBBAWQMBNV-CVEARBPZSA-N 2 0 313.555 2.380 10 0 DEAERP [NH3+][C@@H](Cc1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019852594 182157294 /nfs/dbraw/zinc/15/72/94/182157294.db2.gz VWAWBNLGHFRWCI-FQEVSTJZSA-N 2 0 309.457 2.374 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000309817948 291692573 /nfs/dbraw/zinc/69/25/73/291692573.db2.gz CJTWGZBGKHXVOI-UHFFFAOYSA-N 2 0 303.450 2.096 10 0 DEAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000105861999 194149236 /nfs/dbraw/zinc/14/92/36/194149236.db2.gz QJBIRADISQXMOU-CQSZACIVSA-N 2 0 324.440 2.359 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000060955112 184158897 /nfs/dbraw/zinc/15/88/97/184158897.db2.gz YVPZPJZFMMFVSX-HNNXBMFYSA-N 2 0 300.491 2.135 10 0 DEAERP CC[NH2+]Cc1c(N(C)CC[NH+]2CCCC2)nc2sccn12 ZINC000063052520 184268579 /nfs/dbraw/zinc/26/85/79/184268579.db2.gz YPTQZVVRCIFBLS-UHFFFAOYSA-N 2 0 307.467 2.037 10 0 DEAERP C[N@@H+](Cc1ccc(C(N)=S)cc1F)CC1CC[NH+](C)CC1 ZINC000063120823 184271747 /nfs/dbraw/zinc/27/17/47/184271747.db2.gz BYFFODMKQLCKMP-UHFFFAOYSA-N 2 0 309.454 2.234 10 0 DEAERP CC(C)[C@@H](c1cccs1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178218 184276843 /nfs/dbraw/zinc/27/68/43/184276843.db2.gz KOOUXYNLNHYENX-ZFWWWQNUSA-N 2 0 309.479 2.232 10 0 DEAERP C[NH2+]Cc1sc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1C1CC1 ZINC000069182627 184503105 /nfs/dbraw/zinc/50/31/05/184503105.db2.gz LLKZJDHISKCUFH-CYBMUJFWSA-N 2 0 306.479 2.414 10 0 DEAERP C[NH+](C)CCCn1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000158358965 197264959 /nfs/dbraw/zinc/26/49/59/197264959.db2.gz YYCXUYYERBQSQO-UHFFFAOYSA-N 2 0 315.190 2.472 10 0 DEAERP c1cncc(C[N@H+]2CC3(C[C@H]2COCC2CC2)CC[NH2+]CC3)c1 ZINC000096209818 257133227 /nfs/dbraw/zinc/13/32/27/257133227.db2.gz HTJSGGSEPNXATR-SFHVURJKSA-N 2 0 315.461 2.452 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000125684199 195775622 /nfs/dbraw/zinc/77/56/22/195775622.db2.gz YVPZPJZFMMFVSX-OAHLLOKOSA-N 2 0 300.491 2.135 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[C@H]1CCOC1 ZINC000423028015 285523321 /nfs/dbraw/zinc/52/33/21/285523321.db2.gz FKYAPGKJYAZICH-YXJHDRRASA-N 2 0 302.418 2.259 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246393545 145101609 /nfs/dbraw/zinc/10/16/09/145101609.db2.gz RCSRJDHIHABVIL-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549218 145206765 /nfs/dbraw/zinc/20/67/65/145206765.db2.gz OJPNJORIIPNBLE-ZWKOTPCHSA-N 2 0 315.461 2.252 10 0 DEAERP CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549211 145207230 /nfs/dbraw/zinc/20/72/30/145207230.db2.gz OJPNJORIIPNBLE-MSOLQXFVSA-N 2 0 315.461 2.252 10 0 DEAERP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261737708 145222100 /nfs/dbraw/zinc/22/21/00/145222100.db2.gz NOPMZISFPMQXFC-HNNXBMFYSA-N 2 0 317.477 2.409 10 0 DEAERP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261884033 145237763 /nfs/dbraw/zinc/23/77/63/145237763.db2.gz RMBPNZRELVVZHX-QAPCUYQASA-N 2 0 304.434 2.297 10 0 DEAERP C[C@H]([NH3+])c1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262031667 145255311 /nfs/dbraw/zinc/25/53/11/145255311.db2.gz FDJLSMOXHYYZIZ-PKLSSZNGSA-N 2 0 315.461 2.476 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3CC[C@]4(CC[NH2+]C4)C3)sc2C1 ZINC000262043207 145255921 /nfs/dbraw/zinc/25/59/21/145255921.db2.gz PJFVVQJARIMYEE-KRWDZBQOSA-N 2 0 320.506 2.095 10 0 DEAERP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059102 145258324 /nfs/dbraw/zinc/25/83/24/145258324.db2.gz QYJPBRPALSFRRC-NVXWUHKLSA-N 2 0 322.522 2.205 10 0 DEAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000262114716 145263072 /nfs/dbraw/zinc/26/30/72/145263072.db2.gz LDBJABMDCHJAHA-IAQYHMDHSA-N 2 0 306.406 2.224 10 0 DEAERP CC1=CC[NH+](CCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358666842 147177804 /nfs/dbraw/zinc/17/78/04/147177804.db2.gz OAXNABSKPQCOJO-KRWDZBQOSA-N 2 0 322.497 2.202 10 0 DEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC12CCC2)c1ccccc1 ZINC000373103106 148210815 /nfs/dbraw/zinc/21/08/15/148210815.db2.gz DJCQICWBVQZRBN-KRWDZBQOSA-N 2 0 315.461 2.424 10 0 DEAERP C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085423626 401915541 /nfs/dbraw/zinc/91/55/41/401915541.db2.gz BIVUDIKHRGPXNS-OAHLLOKOSA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119382610 401946431 /nfs/dbraw/zinc/94/64/31/401946431.db2.gz ZXZFFFJSMFTSGZ-QQFBHYJXSA-N 2 0 312.502 2.136 10 0 DEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000121906089 402055889 /nfs/dbraw/zinc/05/58/89/402055889.db2.gz ZHLQNHYAMOGYCB-CGZBRXJRSA-N 2 0 324.513 2.138 10 0 DEAERP C[C@H](NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000123196148 402115138 /nfs/dbraw/zinc/11/51/38/402115138.db2.gz PBCKJTZFUNWYTI-RDBSUJKOSA-N 2 0 309.479 2.340 10 0 DEAERP COc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123285641 402119532 /nfs/dbraw/zinc/11/95/32/402119532.db2.gz WAICJHOTXARACC-ZIAGYGMSSA-N 2 0 305.422 2.048 10 0 DEAERP Cc1ccccc1CN(C)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123496596 402130849 /nfs/dbraw/zinc/13/08/49/402130849.db2.gz RRXRGIQHRSUUES-AEFFLSMTSA-N 2 0 317.477 2.368 10 0 DEAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229270 402182099 /nfs/dbraw/zinc/18/20/99/402182099.db2.gz HYCKSMFJVZCTGA-KRWDZBQOSA-N 2 0 309.498 2.489 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155783693 402267125 /nfs/dbraw/zinc/26/71/25/402267125.db2.gz MGKRUQSEFZLKFH-OAHLLOKOSA-N 2 0 303.450 2.352 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176060244 402274465 /nfs/dbraw/zinc/27/44/65/402274465.db2.gz NEVJYUUIVFGDAT-SJORKVTESA-N 2 0 324.513 2.280 10 0 DEAERP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186214293 402411229 /nfs/dbraw/zinc/41/12/29/402411229.db2.gz XXGIYPOXGMHVJK-DLBZAZTESA-N 2 0 310.482 2.425 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245238144 402453057 /nfs/dbraw/zinc/45/30/57/402453057.db2.gz YGBZVBILLZITTB-ZWKOTPCHSA-N 2 0 315.461 2.252 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000165864927 402479585 /nfs/dbraw/zinc/47/95/85/402479585.db2.gz IPJRKXNUHHJJAH-IKGGRYGDSA-N 2 0 307.482 2.145 10 0 DEAERP COc1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1C ZINC000246091310 402509061 /nfs/dbraw/zinc/50/90/61/402509061.db2.gz IPBXHHZBYLBSBH-YOEHRIQHSA-N 2 0 318.465 2.186 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000246996270 402552946 /nfs/dbraw/zinc/55/29/46/402552946.db2.gz PUFSYWGMSSNHPG-YOEHRIQHSA-N 2 0 301.434 2.057 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000246570951 402537286 /nfs/dbraw/zinc/53/72/86/402537286.db2.gz YPDIDGVNCJBWIJ-HZMVEIRTSA-N 2 0 324.513 2.231 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248572532 402597088 /nfs/dbraw/zinc/59/70/88/402597088.db2.gz CXFBBAFTKWJXBI-DLBZAZTESA-N 2 0 318.465 2.025 10 0 DEAERP C[C@@H](CCNC(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000182696067 402709293 /nfs/dbraw/zinc/70/92/93/402709293.db2.gz CYCHJTRWWKSWNK-INIZCTEOSA-N 2 0 322.497 2.131 10 0 DEAERP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000173328289 402692691 /nfs/dbraw/zinc/69/26/91/402692691.db2.gz SZLUGOCZOITGJV-CVEARBPZSA-N 2 0 312.502 2.229 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C(C)C ZINC000174358763 402737734 /nfs/dbraw/zinc/73/77/34/402737734.db2.gz NUWBNBZRKQGMCQ-DLBZAZTESA-N 2 0 324.513 2.373 10 0 DEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000263253203 402750731 /nfs/dbraw/zinc/75/07/31/402750731.db2.gz KAWBSNKVGXCYBZ-TWMKSMIVSA-N 2 0 307.482 2.144 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174680699 402751854 /nfs/dbraw/zinc/75/18/54/402751854.db2.gz JQSGSHXABPYZBY-KRWDZBQOSA-N 2 0 322.497 2.154 10 0 DEAERP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734585 402813848 /nfs/dbraw/zinc/81/38/48/402813848.db2.gz JQBUVTBLHCQMMQ-HNNXBMFYSA-N 2 0 309.498 2.488 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2)[C@H](C)C1 ZINC000175729473 402827168 /nfs/dbraw/zinc/82/71/68/402827168.db2.gz UWOWUIGMUBLCNG-RYRKJORJSA-N 2 0 306.450 2.088 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382719122 405031829 /nfs/dbraw/zinc/03/18/29/405031829.db2.gz JZYFDELTGKZCRU-QFBILLFUSA-N 2 0 315.461 2.252 10 0 DEAERP C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060819 405696598 /nfs/dbraw/zinc/69/65/98/405696598.db2.gz JBKMMODPVROYLZ-KFKAGJAMSA-N 2 0 301.478 2.485 10 0 DEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1=CCOCC1 ZINC000423161867 405707433 /nfs/dbraw/zinc/70/74/33/405707433.db2.gz SPXMCRCYWJQPLB-WMZOPIPTSA-N 2 0 300.402 2.179 10 0 DEAERP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851509 405713527 /nfs/dbraw/zinc/71/35/27/405713527.db2.gz NHNFTPHXOCRCSN-DOTOQJQBSA-N 2 0 303.450 2.155 10 0 DEAERP C(C[C@H]1CCO1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000638956240 405781861 /nfs/dbraw/zinc/78/18/61/405781861.db2.gz HMOGXQMAKLSHDB-SFHVURJKSA-N 2 0 310.482 2.380 10 0 DEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634949065 406364803 /nfs/dbraw/zinc/36/48/03/406364803.db2.gz GMFHGJLQLBCMGU-HUUCEWRRSA-N 2 0 304.500 2.054 10 0 DEAERP CCNc1ncc(Br)c(NCC(C)(C)[NH+](C)C)n1 ZINC000131861793 196204545 /nfs/dbraw/zinc/20/45/45/196204545.db2.gz BUFZTWMDFDOCED-UHFFFAOYSA-N 2 0 316.247 2.423 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132166608 196232067 /nfs/dbraw/zinc/23/20/67/196232067.db2.gz TZGOQEDSCGSBIJ-DOTOQJQBSA-N 2 0 324.513 2.279 10 0 DEAERP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381724867 424908672 /nfs/dbraw/zinc/90/86/72/424908672.db2.gz JHQVAUBZUWWOEX-ZWKOTPCHSA-N 2 0 315.461 2.157 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388680654 424914482 /nfs/dbraw/zinc/91/44/82/424914482.db2.gz VLHLGCXZUFCPPX-ZWKOTPCHSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972222 424916336 /nfs/dbraw/zinc/91/63/36/424916336.db2.gz CNKJLCPFIUTHKY-LTDKPHRXSA-N 2 0 315.461 2.141 10 0 DEAERP CN(C(=O)C1(C[NH3+])CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390798867 424917817 /nfs/dbraw/zinc/91/78/17/424917817.db2.gz MMFOGPGJUIRHAF-QGZVFWFLSA-N 2 0 315.461 2.238 10 0 DEAERP CCn1ccnc1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000334069184 269014693 /nfs/dbraw/zinc/01/46/93/269014693.db2.gz FVQVOTVVEYIRHT-OAHLLOKOSA-N 2 0 319.453 2.063 10 0 DEAERP CC1(C)OCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397710771 269106497 /nfs/dbraw/zinc/10/64/97/269106497.db2.gz YTJVFGFUVFYJAK-QGZVFWFLSA-N 2 0 318.461 2.171 10 0 DEAERP CCOC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397489594 269106594 /nfs/dbraw/zinc/10/65/94/269106594.db2.gz HCZCPLLCJSCGNU-MRXNPFEDSA-N 2 0 306.450 2.028 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453400395 274355175 /nfs/dbraw/zinc/35/51/75/274355175.db2.gz MAESMQUNGPNMOH-HHXXYDBFSA-N 2 0 315.461 2.155 10 0 DEAERP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105166835 277149953 /nfs/dbraw/zinc/14/99/53/277149953.db2.gz MFRPKIVDNINQDD-INIZCTEOSA-N 2 0 322.497 2.129 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826745 279281512 /nfs/dbraw/zinc/28/15/12/279281512.db2.gz IWETUZZISRCTLA-HOTGVXAUSA-N 2 0 312.502 2.136 10 0 DEAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000262643029 280113850 /nfs/dbraw/zinc/11/38/50/280113850.db2.gz LVTMSQDBDHWQQK-NJAFHUGGSA-N 2 0 319.493 2.384 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C2)[nH+]1 ZINC000249891750 281246954 /nfs/dbraw/zinc/24/69/54/281246954.db2.gz QPNNKEXYTSZWRO-HZPDHXFCSA-N 2 0 318.465 2.285 10 0 DEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121791828 281762100 /nfs/dbraw/zinc/76/21/00/281762100.db2.gz ADIVRUWBEKOYOM-GTPINHCMSA-N 2 0 324.513 2.280 10 0 DEAERP COc1ccccc1[C@@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000261836644 295394058 /nfs/dbraw/zinc/39/40/58/295394058.db2.gz UDEMQCWQYLXAMM-KRWDZBQOSA-N 2 0 303.450 2.031 10 0 DEAERP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCN(C(N)=O)CC2)c1 ZINC000163544581 520754505 /nfs/dbraw/zinc/75/45/05/520754505.db2.gz FUNYXSFGLBEVLA-UHFFFAOYSA-N 2 0 318.465 2.161 10 0 DEAERP Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000246176560 525956918 /nfs/dbraw/zinc/95/69/18/525956918.db2.gz BRHNFOUDQBQBRH-KSZLIROESA-N 2 0 315.461 2.376 10 0 DEAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C(C)(C)C ZINC000246877152 535921710 /nfs/dbraw/zinc/92/17/10/535921710.db2.gz FWKBSABWECXPGB-JKSUJKDBSA-N 2 0 324.513 2.233 10 0 DEAERP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccoc1)C2 ZINC000888098735 635545264 /nfs/dbraw/zinc/54/52/64/635545264.db2.gz LYLSHRRPEYZAMD-JVNHZCFISA-N 2 0 306.450 2.280 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000230412460 646728616 /nfs/dbraw/zinc/72/86/16/646728616.db2.gz BTATZLBDFOAKBL-ILXRZTDVSA-N 2 0 311.470 2.316 10 0 DEAERP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1 ZINC000069672604 648725780 /nfs/dbraw/zinc/72/57/80/648725780.db2.gz SVLCXCSPVJGDAN-ZBFHGGJFSA-N 2 0 318.465 2.199 10 0 DEAERP CCOC(=O)[C@@H](F)[C@@H](C)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000134747526 684229930 /nfs/dbraw/zinc/22/99/30/684229930.db2.gz WNNZOVQBUXHFHT-ABAIWWIYSA-N 2 0 314.376 2.267 10 0 DEAERP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000721944803 777006245 /nfs/dbraw/zinc/00/62/45/777006245.db2.gz UMTBYCFGXDIAMS-KLHDSHLOSA-N 2 0 323.481 2.458 10 0 DEAERP CO[C@](C)(CO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716634423 792982461 /nfs/dbraw/zinc/98/24/61/792982461.db2.gz AVZVBDJXJYSYGJ-VJANTYMQSA-N 2 0 318.461 2.027 10 0 DEAERP COC[C@H](C)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717982704 1081855054 /nfs/dbraw/zinc/85/50/54/1081855054.db2.gz HFTATPBLKQCOSZ-QGZVFWFLSA-N 2 0 320.477 2.276 10 0 DEAERP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000721932797 1084509228 /nfs/dbraw/zinc/50/92/28/1084509228.db2.gz VIBCMWPIYDTIBP-MOTUXRJWSA-N 2 0 323.481 2.457 10 0 DEAERP C[C@@]1(CNC2=[NH+]CCCCN2)CC[N@H+](Cc2ccccc2)C1 ZINC000700042929 1086307827 /nfs/dbraw/zinc/30/78/27/1086307827.db2.gz JHDABJVLTSWTDJ-SFHVURJKSA-N 2 0 300.450 2.228 10 0 DEAERP C[N@@H+]1CCCC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710861835 1086689829 /nfs/dbraw/zinc/68/98/29/1086689829.db2.gz BCIJUDARZIKBML-CQSZACIVSA-N 2 0 311.470 2.175 10 0 DEAERP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710960343 1086692593 /nfs/dbraw/zinc/69/25/93/1086692593.db2.gz ZSOHSBBKLISRQT-KZNAEPCWSA-N 2 0 315.461 2.237 10 0 DEAERP CCCc1nsc(N2CCC[N@@H+]([C@@H](CC)CC[NH3+])CC2)n1 ZINC000087639629 185229717 /nfs/dbraw/zinc/22/97/17/185229717.db2.gz KWVUUOVZTFNHDF-ZDUSSCGKSA-N 2 0 311.499 2.130 10 0 DEAERP COC(=O)[C@@](C)([NH3+])CCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435491 185250381 /nfs/dbraw/zinc/25/03/81/185250381.db2.gz OCBZHGJEMLGKEE-ZDUSSCGKSA-N 2 0 310.360 2.321 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000192945612 282345440 /nfs/dbraw/zinc/34/54/40/282345440.db2.gz ZZGQRUOOARXMCX-INIZCTEOSA-N 2 0 312.502 2.138 10 0 DEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000245469491 282390623 /nfs/dbraw/zinc/39/06/23/282390623.db2.gz VEHLDXMZZLXKQQ-ZWKOTPCHSA-N 2 0 315.461 2.252 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309684986 539877940 /nfs/dbraw/zinc/87/79/40/539877940.db2.gz BJLSUBUAPPPMGB-RYQLBKOJSA-N 2 0 317.477 2.387 10 0 DEAERP Cc1nc(C)c(Br)c(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000322792477 539903609 /nfs/dbraw/zinc/90/36/09/539903609.db2.gz AABCFISEJOACHT-NSHDSACASA-N 2 0 311.227 2.140 10 0 DEAERP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000183050847 356157658 /nfs/dbraw/zinc/15/76/58/356157658.db2.gz RLABPUUJUNVLGV-KGLIPLIRSA-N 2 0 321.446 2.346 10 0 DEAERP C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000183050724 356158088 /nfs/dbraw/zinc/15/80/88/356158088.db2.gz POLNXLOWXCIYEM-ZFWWWQNUSA-N 2 0 319.430 2.100 10 0 DEAERP CC[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000262665952 356343674 /nfs/dbraw/zinc/34/36/74/356343674.db2.gz JTABYAWCOOKKKW-RYQLBKOJSA-N 2 0 315.461 2.067 10 0 DEAERP C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474197 283157183 /nfs/dbraw/zinc/15/71/83/283157183.db2.gz ZCROUABMQZYINY-FPAYPSAMSA-N 2 0 301.478 2.485 10 0 DEAERP [NH3+]CC[C@@H]([NH3+])c1cc(Br)c([O-])c(Br)c1 ZINC000306737554 356405528 /nfs/dbraw/zinc/40/55/28/356405528.db2.gz RKRHDQSNBPIZPB-MRVPVSSYSA-N 2 0 324.016 2.266 10 0 DEAERP C[C@@H]([NH3+])CC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000261877566 296016729 /nfs/dbraw/zinc/01/67/29/296016729.db2.gz SMBOTDHHUAIQCL-PBHICJAKSA-N 2 0 317.477 2.313 10 0 DEAERP O[C@H](C[NH2+]CCSCc1ccccc1)C[NH+]1CCCCC1 ZINC000193903917 201141409 /nfs/dbraw/zinc/14/14/09/201141409.db2.gz AXWVSARBXVCOKK-QGZVFWFLSA-N 2 0 308.491 2.356 10 0 DEAERP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)[C@@H]2C1 ZINC000623526710 365062944 /nfs/dbraw/zinc/06/29/44/365062944.db2.gz OTLFHEKGNQCSNP-NXOAAHMSSA-N 2 0 307.482 2.096 10 0 DEAERP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)C1CCC([NH3+])CC1 ZINC000091844803 193117378 /nfs/dbraw/zinc/11/73/78/193117378.db2.gz ZTHUOGANPLKKID-GRTSSRMGSA-N 2 0 310.463 2.353 10 0 DEAERP c1ccc(COCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629591591 367266701 /nfs/dbraw/zinc/26/67/01/367266701.db2.gz KGDAALNBIRSTGP-IBGZPJMESA-N 2 0 318.461 2.294 10 0 DEAERP COCC[NH2+]C[C@@]1(C[N@H+](C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982812 193191419 /nfs/dbraw/zinc/19/14/19/193191419.db2.gz NUFUXCGOXWORCI-NVXWUHKLSA-N 2 0 300.487 2.122 10 0 DEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@H]1c1c(F)cccc1Cl ZINC000093382176 193240995 /nfs/dbraw/zinc/24/09/95/193240995.db2.gz JXWYDXZAIVOYIC-ZDUSSCGKSA-N 2 0 312.820 2.492 10 0 DEAERP CC[NH2+][C@H]1CCC[C@@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093554553 193267065 /nfs/dbraw/zinc/26/70/65/193267065.db2.gz TXDOBADITRKTMJ-KGLIPLIRSA-N 2 0 307.404 2.335 10 0 DEAERP C[NH2+]Cc1cc(Br)cnc1OCC(C)(C)[NH+](C)C ZINC000093955338 193332328 /nfs/dbraw/zinc/33/23/28/193332328.db2.gz REZGULWORRXQTB-UHFFFAOYSA-N 2 0 316.243 2.283 10 0 DEAERP C[NH+](C)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334272 193360025 /nfs/dbraw/zinc/36/00/25/193360025.db2.gz SSJJCBWURZHESA-LLVKDONJSA-N 2 0 302.344 2.090 10 0 DEAERP CN(c1nc(C(F)(F)F)ccc1C[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000094334264 193360466 /nfs/dbraw/zinc/36/04/66/193360466.db2.gz PYYUTBCGMVBIOV-NSHDSACASA-N 2 0 302.344 2.090 10 0 DEAERP CC(C)[N@H+](C)CCCC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635752 193386496 /nfs/dbraw/zinc/38/64/96/193386496.db2.gz NSXKJSYDRMDLGX-CABCVRRESA-N 2 0 304.500 2.052 10 0 DEAERP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384691 193367790 /nfs/dbraw/zinc/36/77/90/193367790.db2.gz PXKVFXYKYOSCFZ-RRFJBIMHSA-N 2 0 310.507 2.361 10 0 DEAERP CC[NH2+][C@H]1[C@H](C[N@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429310 193368881 /nfs/dbraw/zinc/36/88/81/193368881.db2.gz GZKJEUZPRHVULS-GJZGRUSLSA-N 2 0 300.487 2.261 10 0 DEAERP CNC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453383339 245103816 /nfs/dbraw/zinc/10/38/16/245103816.db2.gz SMFNWWREVXMGTH-DDBAPUKQSA-N 2 0 315.461 2.296 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458458356 248319690 /nfs/dbraw/zinc/31/96/90/248319690.db2.gz NDFGBFDTCKEIEO-UHFFFAOYSA-N 2 0 324.513 2.282 10 0 DEAERP COC(=O)Cc1c(C)[nH+]c2ccc(F)cc2c1NCC[NH+](C)C ZINC000041473519 183192932 /nfs/dbraw/zinc/19/29/32/183192932.db2.gz HFTKCOKTWGUJJC-UHFFFAOYSA-N 2 0 319.380 2.371 10 0 DEAERP CC[NH2+]Cc1cc(Br)cnc1OCCC[NH+](C)C ZINC000051549318 183829050 /nfs/dbraw/zinc/82/90/50/183829050.db2.gz ZEVORYCFAUOVOP-UHFFFAOYSA-N 2 0 316.243 2.284 10 0 DEAERP C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC[NH+](C)C ZINC000111129971 194393436 /nfs/dbraw/zinc/39/34/36/194393436.db2.gz SWJYJCLVRISXRB-FZMZJTMJSA-N 2 0 314.271 2.331 10 0 DEAERP CCC[NH2+]Cc1c(N2CC[C@@H]([NH+](C)C)C2)nc2sccn12 ZINC000062966987 184263084 /nfs/dbraw/zinc/26/30/84/184263084.db2.gz XNANZOQWJRCHRZ-GFCCVEGCSA-N 2 0 307.467 2.036 10 0 DEAERP CC(C)[NH2+]Cc1c(N2CC[C@@H]([NH+](C)C)C2)nc2sccn12 ZINC000062967171 184263430 /nfs/dbraw/zinc/26/34/30/184263430.db2.gz UXSGJFFISZOTDH-GFCCVEGCSA-N 2 0 307.467 2.034 10 0 DEAERP CC(C)[C@H](c1cccs1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178221 184276681 /nfs/dbraw/zinc/27/66/81/184276681.db2.gz KOOUXYNLNHYENX-DZGCQCFKSA-N 2 0 309.479 2.232 10 0 DEAERP CC(C)C[C@@H](C[NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000153146874 196855397 /nfs/dbraw/zinc/85/53/97/196855397.db2.gz VFFSUZRHFQHYKU-KRWDZBQOSA-N 2 0 317.477 2.388 10 0 DEAERP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H](C[NH+]4CCCC4)[C@@H]3C2)cn1 ZINC000248156208 257107888 /nfs/dbraw/zinc/10/78/88/257107888.db2.gz VSJDEDXTDSDGMT-SQNIBIBYSA-N 2 0 302.466 2.364 10 0 DEAERP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000047971017 132484014 /nfs/dbraw/zinc/48/40/14/132484014.db2.gz WUXLQYBRXBGKNE-UHFFFAOYSA-N 2 0 307.482 2.197 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000358182434 133126817 /nfs/dbraw/zinc/12/68/17/133126817.db2.gz DCKPNAZGJGRUEI-IRXDYDNUSA-N 2 0 322.497 2.058 10 0 DEAERP CC1CCC([NH+]2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000362829567 133253350 /nfs/dbraw/zinc/25/33/50/133253350.db2.gz HLFZPZUOQHIUNW-UHFFFAOYSA-N 2 0 321.509 2.441 10 0 DEAERP COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190944275 145050586 /nfs/dbraw/zinc/05/05/86/145050586.db2.gz YVWIRSCWKGVWEC-QGZVFWFLSA-N 2 0 320.481 2.127 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)[C@@H](C)C1 ZINC000246549824 145106224 /nfs/dbraw/zinc/10/62/24/145106224.db2.gz WLGNDVSXGXYKLZ-ZNMIVQPWSA-N 2 0 305.470 2.036 10 0 DEAERP COc1cccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246568919 145106692 /nfs/dbraw/zinc/10/66/92/145106692.db2.gz FJTOXPJCSKGYLQ-CRAIPNDOSA-N 2 0 304.434 2.490 10 0 DEAERP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247256646 145130892 /nfs/dbraw/zinc/13/08/92/145130892.db2.gz UZAGUURRJDMCHJ-WMZOPIPTSA-N 2 0 317.477 2.498 10 0 DEAERP COC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247563754 145141585 /nfs/dbraw/zinc/14/15/85/145141585.db2.gz RBKBBVWGKBPLFT-VQIMIIECSA-N 2 0 320.477 2.399 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C2)[nH+]1 ZINC000249884063 145191054 /nfs/dbraw/zinc/19/10/54/145191054.db2.gz OKPHYCQVBYOKCX-CVEARBPZSA-N 2 0 318.465 2.285 10 0 DEAERP C[C@]1(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000261769019 145224345 /nfs/dbraw/zinc/22/43/45/145224345.db2.gz MJJYWDNVOSZXGA-SFHVURJKSA-N 2 0 302.462 2.303 10 0 DEAERP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)ccc1C ZINC000261862350 145235082 /nfs/dbraw/zinc/23/50/82/145235082.db2.gz CEZQWFSUALGPBL-BBWFWOEESA-N 2 0 304.434 2.250 10 0 DEAERP Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1C ZINC000262097139 145261768 /nfs/dbraw/zinc/26/17/68/145261768.db2.gz LVLSKSLDSNPADC-GOSISDBHSA-N 2 0 315.461 2.262 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262364040 145279477 /nfs/dbraw/zinc/27/94/77/145279477.db2.gz JAZJEICMOPDLGT-FZKCQIBNSA-N 2 0 309.498 2.247 10 0 DEAERP Cc1ccc([C@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000262411468 145281942 /nfs/dbraw/zinc/28/19/42/145281942.db2.gz QPEQOUBTODXBCB-YJBOKZPZSA-N 2 0 315.461 2.104 10 0 DEAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263224047 145338157 /nfs/dbraw/zinc/33/81/57/145338157.db2.gz MLUAUFSLIZPJHC-DOMZBBRYSA-N 2 0 306.406 2.224 10 0 DEAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000262531257 292202597 /nfs/dbraw/zinc/20/25/97/292202597.db2.gz POPMSSBSXIHTJN-QGZVFWFLSA-N 2 0 301.434 2.082 10 0 DEAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000112697833 401754328 /nfs/dbraw/zinc/75/43/28/401754328.db2.gz WPHJUIWPDKJROY-QGZVFWFLSA-N 2 0 311.514 2.149 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000113599449 401783253 /nfs/dbraw/zinc/78/32/53/401783253.db2.gz BRTIDGKNTZSVPK-GOEBONIOSA-N 2 0 322.497 2.127 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C(=O)NC)c2)[C@H](C)C1 ZINC000079461589 401873336 /nfs/dbraw/zinc/87/33/36/401873336.db2.gz MADGXEIVEGNKEL-RHSMWYFYSA-N 2 0 303.450 2.208 10 0 DEAERP CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000063756114 402114674 /nfs/dbraw/zinc/11/46/74/402114674.db2.gz JTTICQOJHIECNW-UHFFFAOYSA-N 2 0 303.450 2.240 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125237495 402221056 /nfs/dbraw/zinc/22/10/56/402221056.db2.gz MPTDJFHBRJLKKW-OFLPRAFFSA-N 2 0 324.513 2.233 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000184580748 402278988 /nfs/dbraw/zinc/27/89/88/402278988.db2.gz GERXJYDOUAHZCZ-MRXNPFEDSA-N 2 0 303.450 2.280 10 0 DEAERP COCC[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000176106379 402279181 /nfs/dbraw/zinc/27/91/81/402279181.db2.gz APQBUCXCMIUWHK-APWZRJJASA-N 2 0 320.477 2.447 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000177012665 402359262 /nfs/dbraw/zinc/35/92/62/402359262.db2.gz YYQDKNDOGYZFHE-QGZVFWFLSA-N 2 0 303.450 2.305 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1 ZINC000234731151 402361085 /nfs/dbraw/zinc/36/10/85/402361085.db2.gz QTCNZTLCJYDDLS-CYBMUJFWSA-N 2 0 301.228 2.293 10 0 DEAERP COc1ccccc1/C=C/C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185881006 402385456 /nfs/dbraw/zinc/38/54/56/402385456.db2.gz TZZSMDHNIXCZFS-JKNJVXJCSA-N 2 0 317.477 2.324 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000245482418 402464610 /nfs/dbraw/zinc/46/46/10/402464610.db2.gz ZHGWEIBGFARXDE-IRXDYDNUSA-N 2 0 324.513 2.233 10 0 DEAERP COC[C@H](C)C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000187657170 402507170 /nfs/dbraw/zinc/50/71/70/402507170.db2.gz KACWKEUITYYZRW-IEBWSBKVSA-N 2 0 319.493 2.237 10 0 DEAERP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000246988358 402552031 /nfs/dbraw/zinc/55/20/31/402552031.db2.gz GLXZCJPVNLARBO-IXDOHACOSA-N 2 0 324.513 2.136 10 0 DEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246499441 402533744 /nfs/dbraw/zinc/53/37/44/402533744.db2.gz RXNLWGIYTZKNME-KSZLIROESA-N 2 0 317.477 2.148 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCNC1=O ZINC000246518985 402534768 /nfs/dbraw/zinc/53/47/68/402534768.db2.gz RCYYRSBMRXGORH-PBHICJAKSA-N 2 0 301.434 2.039 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2F)CC1 ZINC000171589070 402598475 /nfs/dbraw/zinc/59/84/75/402598475.db2.gz YYWQQIQDCJMRMH-CYBMUJFWSA-N 2 0 312.404 2.489 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C12CCOCC2 ZINC000249060714 402618887 /nfs/dbraw/zinc/61/88/87/402618887.db2.gz YLJMOLBRIIAEDN-LTIDMASMSA-N 2 0 310.482 2.281 10 0 DEAERP Brc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000190774841 402622143 /nfs/dbraw/zinc/62/21/43/402622143.db2.gz IINWWFMENDROTB-UHFFFAOYSA-N 2 0 317.227 2.244 10 0 DEAERP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261805682 402717740 /nfs/dbraw/zinc/71/77/40/402717740.db2.gz HIATWQWKUNETJQ-IRXDYDNUSA-N 2 0 308.466 2.430 10 0 DEAERP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H]3[C@@H]3COCCN3)CC2)C1 ZINC000261841639 402718257 /nfs/dbraw/zinc/71/82/57/402718257.db2.gz ALSGZBGVWISSNO-QYZOEREBSA-N 2 0 321.509 2.140 10 0 DEAERP CC(=O)N1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000191859669 402695857 /nfs/dbraw/zinc/69/58/57/402695857.db2.gz OGXRHUNPFVGZTA-UHFFFAOYSA-N 2 0 312.417 2.235 10 0 DEAERP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000174164098 402729622 /nfs/dbraw/zinc/72/96/22/402729622.db2.gz GTLVTKAHVFDSOB-HOCLYGCPSA-N 2 0 324.513 2.373 10 0 DEAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192482530 402731928 /nfs/dbraw/zinc/73/19/28/402731928.db2.gz SQFUJRRITVIBRG-ZDUSSCGKSA-N 2 0 305.447 2.031 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)C ZINC000174303062 402735692 /nfs/dbraw/zinc/73/56/92/402735692.db2.gz BMUWAMUZFCESFJ-HNNXBMFYSA-N 2 0 312.502 2.090 10 0 DEAERP Cn1c2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2sc1=O ZINC000192551593 402736356 /nfs/dbraw/zinc/73/63/56/402736356.db2.gz OCMMGPRSYSHCSQ-UHFFFAOYSA-N 2 0 305.447 2.031 10 0 DEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183388625 402762770 /nfs/dbraw/zinc/76/27/70/402762770.db2.gz PZWDFYDEAWJQEM-HNNXBMFYSA-N 2 0 318.465 2.390 10 0 DEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000195049493 402828866 /nfs/dbraw/zinc/82/88/66/402828866.db2.gz YHHCLRIYWKTISU-SJORKVTESA-N 2 0 324.513 2.280 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000194148419 402785697 /nfs/dbraw/zinc/78/56/97/402785697.db2.gz AJMXIMNFPBYHDT-IRXDYDNUSA-N 2 0 324.513 2.282 10 0 DEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333549401 403778375 /nfs/dbraw/zinc/77/83/75/403778375.db2.gz KBUFDSMGEUKCSS-NVXWUHKLSA-N 2 0 322.497 2.225 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309768054 403963105 /nfs/dbraw/zinc/96/31/05/403963105.db2.gz ZYBXZFIHHHIHIJ-QZTJIDSGSA-N 2 0 315.461 2.014 10 0 DEAERP CCCCOC[C@H](O)C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389840642 405038851 /nfs/dbraw/zinc/03/88/51/405038851.db2.gz NIBKOUGFMULDDD-UHOSZYNNSA-N 2 0 320.477 2.274 10 0 DEAERP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852532 405715756 /nfs/dbraw/zinc/71/57/56/405715756.db2.gz YCYNIYOTFCVOAY-FUHWJXTLSA-N 2 0 317.477 2.403 10 0 DEAERP C(CC1CCOCC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000639304235 406033596 /nfs/dbraw/zinc/03/35/96/406033596.db2.gz RDLBWDHBFLBAEK-UHFFFAOYSA-N 2 0 310.482 2.284 10 0 DEAERP c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2c(c1)COCC2 ZINC000635013673 406400201 /nfs/dbraw/zinc/40/02/01/406400201.db2.gz UWLCBAKWZFNYEQ-GBESFXJTSA-N 2 0 316.445 2.006 10 0 DEAERP C[C@@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000398035622 424922855 /nfs/dbraw/zinc/92/28/55/424922855.db2.gz PNNWLXKYOXANKM-AGERRDQYSA-N 2 0 315.461 2.283 10 0 DEAERP [NH3+]C1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000302871378 424892768 /nfs/dbraw/zinc/89/27/68/424892768.db2.gz GQLGUZDWOXNECE-UHFFFAOYSA-N 2 0 315.461 2.285 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000398025338 269107919 /nfs/dbraw/zinc/10/79/19/269107919.db2.gz LSOILXROHBVISU-BHIYHBOVSA-N 2 0 301.478 2.486 10 0 DEAERP C[C@@H](C[NH2+]CCCC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449106900 278283062 /nfs/dbraw/zinc/28/30/62/278283062.db2.gz NMGLFIQZABIHNY-AWEZNQCLSA-N 2 0 312.479 2.125 10 0 DEAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000093286838 289393731 /nfs/dbraw/zinc/39/37/31/289393731.db2.gz MWLYAIFBTRAMNH-JSGCOSHPSA-N 2 0 310.486 2.078 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000105862046 525790850 /nfs/dbraw/zinc/79/08/50/525790850.db2.gz NSKLCBBOWLFIPW-OAHLLOKOSA-N 2 0 324.440 2.229 10 0 DEAERP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360154599 535049737 /nfs/dbraw/zinc/04/97/37/535049737.db2.gz TXLREYPBNJGOKG-AEFFLSMTSA-N 2 0 317.477 2.403 10 0 DEAERP CCC[NH2+]CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000261732808 535171721 /nfs/dbraw/zinc/17/17/21/535171721.db2.gz YLNIHULHAAZWFT-UHFFFAOYSA-N 2 0 303.450 2.400 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000458468070 535448047 /nfs/dbraw/zinc/44/80/47/535448047.db2.gz WHYQGMYTZDLDSH-KRWDZBQOSA-N 2 0 324.513 2.140 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261860614 535819767 /nfs/dbraw/zinc/81/97/67/535819767.db2.gz WTHKCMOQHWKCAU-BZUAXINKSA-N 2 0 309.498 2.378 10 0 DEAERP C[NH+](C)CCOc1ccccc1-c1nc(C2([NH3+])CCC2)no1 ZINC000261929396 535912828 /nfs/dbraw/zinc/91/28/28/535912828.db2.gz LHRROYDDNWIGLD-UHFFFAOYSA-N 2 0 302.378 2.015 10 0 DEAERP C[N@H+](CCN1CC[NH+]2CCCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000248561516 536371938 /nfs/dbraw/zinc/37/19/38/536371938.db2.gz NCIQWLBXZPSLRB-SFHVURJKSA-N 2 0 305.441 2.428 10 0 DEAERP C/C(=C\C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc(F)c1 ZINC000732074067 647539916 /nfs/dbraw/zinc/53/99/16/647539916.db2.gz HYMZAXUGKUIVKA-FYWRMAATSA-N 2 0 321.440 2.181 10 0 DEAERP Brc1cnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000714952798 792374271 /nfs/dbraw/zinc/37/42/71/792374271.db2.gz VQCXJDNJDIVAQF-IVZWLZJFSA-N 2 0 316.268 2.383 10 0 DEAERP C[C@H](C[S@@](C)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680051 792984160 /nfs/dbraw/zinc/98/41/60/792984160.db2.gz PYORPDLQIJGXHL-VBAMYXKLSA-N 2 0 320.502 2.396 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000717935496 1081808897 /nfs/dbraw/zinc/80/88/97/1081808897.db2.gz KNINJJDUCIQGOK-SJLPKXTDSA-N 2 0 318.461 2.171 10 0 DEAERP C[N@@H+]1CCC[C@H](C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000701868887 1086388937 /nfs/dbraw/zinc/38/89/37/1086388937.db2.gz VEODQVHSJIBCCG-KSTDHSDQSA-N 2 0 323.481 2.317 10 0 DEAERP CSC1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000706888117 1086654538 /nfs/dbraw/zinc/65/45/38/1086654538.db2.gz MSDAOUKFCJTDBA-UHFFFAOYSA-N 2 0 320.502 2.497 10 0 DEAERP Cc1nccn1CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711410438 1087094726 /nfs/dbraw/zinc/09/47/26/1087094726.db2.gz MFTXBNIPMYHDHX-OKILXGFUSA-N 2 0 308.426 2.084 10 0 DEAERP CCN(CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000711437087 1087104924 /nfs/dbraw/zinc/10/49/24/1087104924.db2.gz FKCGGOSUNUKOSC-OKILXGFUSA-N 2 0 311.470 2.364 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Br)cc1 ZINC000311046243 536595172 /nfs/dbraw/zinc/59/51/72/536595172.db2.gz WCALEBPLPLBRLA-CQSZACIVSA-N 2 0 315.255 2.335 10 0 DEAERP CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000183570766 282150273 /nfs/dbraw/zinc/15/02/73/282150273.db2.gz NJPLUFZEVJOVDP-UHFFFAOYSA-N 2 0 312.417 2.139 10 0 DEAERP CC(C)C[C@@H](C[NH3+])CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000088277980 185244604 /nfs/dbraw/zinc/24/46/04/185244604.db2.gz ARHGXUULHZDZKP-KGLIPLIRSA-N 2 0 311.495 2.478 10 0 DEAERP CC[NH2+]Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000092365083 185313910 /nfs/dbraw/zinc/31/39/10/185313910.db2.gz CRPWECLFODPTRQ-UHFFFAOYSA-N 2 0 305.403 2.300 10 0 DEAERP C[NH+](C)[C@@H]1CCN(c2ccc(CC[NH3+])c(C(F)(F)F)c2)C1 ZINC000167527893 197710737 /nfs/dbraw/zinc/71/07/37/197710737.db2.gz IIGULCYYUAKSDF-CYBMUJFWSA-N 2 0 301.356 2.347 10 0 DEAERP CSCCN(C)C1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000123871597 185851241 /nfs/dbraw/zinc/85/12/41/185851241.db2.gz CCOMTTKBUGSGIX-UHFFFAOYSA-N 2 0 307.507 2.275 10 0 DEAERP CC(C)[C@H](C)[C@@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000126532707 185871691 /nfs/dbraw/zinc/87/16/91/185871691.db2.gz BOIPVFIWVCNZTH-CMPLNLGQSA-N 2 0 317.275 2.499 10 0 DEAERP CCC[NH2+][C@@](C)(CO)C[C@@H](C)N(CC[NH+](C)C)CC(C)C ZINC000070514008 190903730 /nfs/dbraw/zinc/90/37/30/190903730.db2.gz IIWRCORUBCNHRS-IAGOWNOFSA-N 2 0 301.519 2.035 10 0 DEAERP CC[NH2+][C@H](Cc1ccccc1Cl)C[C@@H]1C[N@H+](C)CCN1C ZINC000149684514 186051552 /nfs/dbraw/zinc/05/15/52/186051552.db2.gz ASTUJZHLYYNLOS-HZPDHXFCSA-N 2 0 309.885 2.497 10 0 DEAERP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309746142 539878606 /nfs/dbraw/zinc/87/86/06/539878606.db2.gz XTHZQSDQARVAON-OKZBNKHCSA-N 2 0 315.461 2.094 10 0 DEAERP C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333578306 539963797 /nfs/dbraw/zinc/96/37/97/539963797.db2.gz NHLUXHDGPQOIRM-HRCADAONSA-N 2 0 322.497 2.081 10 0 DEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[NH2+][C@H](C)C2)CC1 ZINC000092456988 355633972 /nfs/dbraw/zinc/63/39/72/355633972.db2.gz AVDXLAXBJNXENE-QGZVFWFLSA-N 2 0 316.493 2.012 10 0 DEAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccnn1C ZINC000192906739 356221784 /nfs/dbraw/zinc/22/17/84/356221784.db2.gz OKKKPYPLGDJTRO-MRXNPFEDSA-N 2 0 319.497 2.021 10 0 DEAERP [NH3+]C1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000323755671 356456505 /nfs/dbraw/zinc/45/65/05/356456505.db2.gz UEJOGARHRKCFJY-UHFFFAOYSA-N 2 0 315.461 2.238 10 0 DEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357898975 283183066 /nfs/dbraw/zinc/18/30/66/283183066.db2.gz DLJFCONVOBBUOF-INIZCTEOSA-N 2 0 310.486 2.058 10 0 DEAERP CSCC1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000385834748 356690946 /nfs/dbraw/zinc/69/09/46/356690946.db2.gz MKNNBOVJYMFYFL-GPANFISMSA-N 2 0 300.512 2.345 10 0 DEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000591457675 357726433 /nfs/dbraw/zinc/72/64/33/357726433.db2.gz FRGYBTYSZYZVTI-IRXDYDNUSA-N 2 0 307.482 2.053 10 0 DEAERP C[NH+](C)C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000195315429 201379908 /nfs/dbraw/zinc/37/99/08/201379908.db2.gz IUTFRLYLVIGQQY-GOSISDBHSA-N 2 0 315.461 2.280 10 0 DEAERP C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631837486 368414944 /nfs/dbraw/zinc/41/49/44/368414944.db2.gz BVRKVULLWIZVGA-NEPJUHHUSA-N 2 0 313.239 2.355 10 0 DEAERP CCOC(=O)[C@]1([NH3+])CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596060 193270704 /nfs/dbraw/zinc/27/07/04/193270704.db2.gz VMZJFWRMDLBBBD-YPMHNXCESA-N 2 0 310.360 2.321 10 0 DEAERP CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)CC1CC[NH2+]CC1 ZINC000094024937 193340166 /nfs/dbraw/zinc/34/01/66/193340166.db2.gz LJFJINUEMWWIOX-CYBMUJFWSA-N 2 0 309.479 2.247 10 0 DEAERP COc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000153582858 291573074 /nfs/dbraw/zinc/57/30/74/291573074.db2.gz DTBJTAFTUPLJAV-HUUCEWRRSA-N 2 0 323.456 2.368 10 0 DEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000020562776 182232040 /nfs/dbraw/zinc/23/20/40/182232040.db2.gz RZNHMMJOBPBPGJ-AWEZNQCLSA-N 2 0 301.356 2.343 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454785702 246153701 /nfs/dbraw/zinc/15/37/01/246153701.db2.gz LKAOITOAJYNAIB-UHFFFAOYSA-N 2 0 322.497 2.204 10 0 DEAERP CC[C@H](C)[NH+]1CCN(C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000458454309 248315810 /nfs/dbraw/zinc/31/58/10/248315810.db2.gz JVHBNFGGOCKEQB-INIZCTEOSA-N 2 0 324.513 2.234 10 0 DEAERP CC[NH2+]Cc1sc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1CC ZINC000110275671 194318961 /nfs/dbraw/zinc/31/89/61/194318961.db2.gz PFVUGWWFTZPHGF-CYBMUJFWSA-N 2 0 308.495 2.490 10 0 DEAERP CC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCC[NH2+]C1 ZINC000062859194 184256920 /nfs/dbraw/zinc/25/69/20/184256920.db2.gz JNTFJMYSJMHHGQ-BBRMVZONSA-N 2 0 309.479 2.247 10 0 DEAERP CC[NH+](CC)[C@@H](C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000538315209 285031396 /nfs/dbraw/zinc/03/13/96/285031396.db2.gz GAKQLKXACWRZOP-QGZVFWFLSA-N 2 0 305.466 2.480 10 0 DEAERP C[C@H]1C[C@@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC[N@@H+]1C ZINC000158928171 197311969 /nfs/dbraw/zinc/31/19/69/197311969.db2.gz IOBNPRMNIZEBBW-UWVGGRQHSA-N 2 0 302.344 2.203 10 0 DEAERP CC[NH2+][C@@H](CC)c1c(Br)cnn1CC[NH+](C)C ZINC000158736435 197298236 /nfs/dbraw/zinc/29/82/36/197298236.db2.gz YLXLYEGJHAZRPT-NSHDSACASA-N 2 0 303.248 2.268 10 0 DEAERP CC(C)C[C@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000158442392 197273153 /nfs/dbraw/zinc/27/31/53/197273153.db2.gz NDTGUTCYJBJYOS-NSHDSACASA-N 2 0 303.248 2.253 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000157787040 197215536 /nfs/dbraw/zinc/21/55/36/197215536.db2.gz OEMAGKTVZIIIQX-INIZCTEOSA-N 2 0 324.513 2.140 10 0 DEAERP COc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[C@@H]([NH+](C)C)CCO2 ZINC000248036222 257111265 /nfs/dbraw/zinc/11/12/65/257111265.db2.gz UTOFNHYDBQAOJS-WMZOPIPTSA-N 2 0 304.434 2.380 10 0 DEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671546 133194472 /nfs/dbraw/zinc/19/44/72/133194472.db2.gz LHMHLZLIKKJXCC-QFBILLFUSA-N 2 0 315.461 2.411 10 0 DEAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000191486222 145059555 /nfs/dbraw/zinc/05/95/55/145059555.db2.gz HAMBUCLNOZQBOK-QGZVFWFLSA-N 2 0 307.486 2.339 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000247479040 145138683 /nfs/dbraw/zinc/13/86/83/145138683.db2.gz VYOOYDLOTCINBQ-QBPKDAKJSA-N 2 0 324.513 2.135 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000249329719 145182281 /nfs/dbraw/zinc/18/22/81/145182281.db2.gz WBYILYKLCREMQC-HZPDHXFCSA-N 2 0 312.502 2.280 10 0 DEAERP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249862871 145190664 /nfs/dbraw/zinc/19/06/64/145190664.db2.gz GSFDMQXPJKZFEL-IMJJTQAJSA-N 2 0 318.465 2.427 10 0 DEAERP C[C@H](CC(=O)N(CC[NH3+])CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000261774253 145225359 /nfs/dbraw/zinc/22/53/59/145225359.db2.gz RSJYHRMSFHTWQQ-SJLPKXTDSA-N 2 0 317.477 2.042 10 0 DEAERP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000261812364 145229190 /nfs/dbraw/zinc/22/91/90/145229190.db2.gz RXWMKVARIUPDDI-XOYOTBSWSA-N 2 0 315.461 2.141 10 0 DEAERP CCC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261931330 145243519 /nfs/dbraw/zinc/24/35/19/145243519.db2.gz WGIYRESEYYWZBJ-HZPDHXFCSA-N 2 0 309.498 2.393 10 0 DEAERP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)C2)cc1 ZINC000262013181 145253116 /nfs/dbraw/zinc/25/31/16/145253116.db2.gz VSWIUBGRCJMOJT-GDAAHCPNSA-N 2 0 315.461 2.012 10 0 DEAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262952153 145313824 /nfs/dbraw/zinc/31/38/24/145313824.db2.gz JSRGJHIZPPXWHR-RYRKJORJSA-N 2 0 307.482 2.275 10 0 DEAERP CC[NH+](CC)CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262956763 145313868 /nfs/dbraw/zinc/31/38/68/145313868.db2.gz JPAMZOCMOZBZMR-UHFFFAOYSA-N 2 0 303.328 2.444 10 0 DEAERP OCC[NH2+]CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013732872 401804154 /nfs/dbraw/zinc/80/41/54/401804154.db2.gz ASBTVBQDZGLDON-UHFFFAOYSA-N 2 0 314.429 2.327 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000113591055 401783146 /nfs/dbraw/zinc/78/31/46/401783146.db2.gz KHKNTPSEUBRADF-CVEARBPZSA-N 2 0 312.502 2.280 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C(=O)NC)c2)[C@H](C)C1 ZINC000079461585 401873258 /nfs/dbraw/zinc/87/32/58/401873258.db2.gz MADGXEIVEGNKEL-PBHICJAKSA-N 2 0 303.450 2.208 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000052524660 402043585 /nfs/dbraw/zinc/04/35/85/402043585.db2.gz QJAIYFFWRNMCSF-IRXDYDNUSA-N 2 0 324.513 2.280 10 0 DEAERP C[C@@H]1CCC[C@H](NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C ZINC000123421626 402126953 /nfs/dbraw/zinc/12/69/53/402126953.db2.gz QMEJWCWOFMCQQP-HHARLNAUSA-N 2 0 309.498 2.342 10 0 DEAERP COc1cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1F ZINC000153617292 402156916 /nfs/dbraw/zinc/15/69/16/402156916.db2.gz SCSPRLHDLQGAHO-KBPBESRZSA-N 2 0 309.429 2.121 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000154091215 402192530 /nfs/dbraw/zinc/19/25/30/402192530.db2.gz MLTNJHLGHKGBDC-BBWFWOEESA-N 2 0 322.497 2.129 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000234729639 402360535 /nfs/dbraw/zinc/36/05/35/402360535.db2.gz DBWJMSNDOVKONV-GFCCVEGCSA-N 2 0 319.218 2.432 10 0 DEAERP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccnc(C2CC2)n1 ZINC000176669013 402327231 /nfs/dbraw/zinc/32/72/31/402327231.db2.gz GLLKXZJZWWUOSU-UHFFFAOYSA-N 2 0 305.470 2.064 10 0 DEAERP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)CCCO2 ZINC000162529027 402423536 /nfs/dbraw/zinc/42/35/36/402423536.db2.gz JXCLISRYDHNAKA-SFHVURJKSA-N 2 0 317.477 2.436 10 0 DEAERP CCC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)C ZINC000162676598 402428221 /nfs/dbraw/zinc/42/82/21/402428221.db2.gz VNLVIJMMPCXJIH-HYVNUMGLSA-N 2 0 307.482 2.192 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)[nH+]1 ZINC000245459258 402462372 /nfs/dbraw/zinc/46/23/72/402462372.db2.gz DJTYJQNZLRTCEI-HOTGVXAUSA-N 2 0 316.449 2.133 10 0 DEAERP CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000167667971 402492885 /nfs/dbraw/zinc/49/28/85/402492885.db2.gz HSWWAPHREYXKRU-ROUUACIJSA-N 2 0 315.461 2.237 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246012807 402503735 /nfs/dbraw/zinc/50/37/35/402503735.db2.gz KYFGSLWHQRDITR-OWCLPIDISA-N 2 0 324.513 2.088 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246910595 402548985 /nfs/dbraw/zinc/54/89/85/402548985.db2.gz XZJWFTVZDBBDJU-BRWVUGGUSA-N 2 0 324.513 2.135 10 0 DEAERP CCc1ccc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)s1 ZINC000178980036 402561264 /nfs/dbraw/zinc/56/12/64/402561264.db2.gz KGFWRARTTVHKPW-UHFFFAOYSA-N 2 0 307.507 2.428 10 0 DEAERP C[N@H+](C[C@H](c1cccs1)N1CCOCC1)CC1CC[NH2+]CC1 ZINC000178980831 402561875 /nfs/dbraw/zinc/56/18/75/402561875.db2.gz PPQNIYNPTUQLPZ-MRXNPFEDSA-N 2 0 323.506 2.053 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246341750 402526021 /nfs/dbraw/zinc/52/60/21/402526021.db2.gz OVLLSFJPSVARLE-OAGGEKHMSA-N 2 0 312.502 2.087 10 0 DEAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731125 402532048 /nfs/dbraw/zinc/53/20/48/402532048.db2.gz IRCFJJKQBDAJMV-QZTJIDSGSA-N 2 0 315.461 2.142 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000246485651 402533433 /nfs/dbraw/zinc/53/34/33/402533433.db2.gz VZBFWJTWFZYXCJ-BRWVUGGUSA-N 2 0 322.497 2.129 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248485753 402592959 /nfs/dbraw/zinc/59/29/59/402592959.db2.gz KVMUYEMLWNNDNG-IXDOHACOSA-N 2 0 324.513 2.279 10 0 DEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000191451181 402670881 /nfs/dbraw/zinc/67/08/81/402670881.db2.gz VKXFRMKGBBNPEH-ZWKOTPCHSA-N 2 0 309.498 2.046 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174173033 402730177 /nfs/dbraw/zinc/73/01/77/402730177.db2.gz KBXXQQSCSUMIOK-SJORKVTESA-N 2 0 324.513 2.090 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193696432 402775119 /nfs/dbraw/zinc/77/51/19/402775119.db2.gz HMESNEZEBNXQPE-HNNXBMFYSA-N 2 0 322.497 2.034 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175668645 402824390 /nfs/dbraw/zinc/82/43/90/402824390.db2.gz BKPBCLGNDBDIST-INIZCTEOSA-N 2 0 322.497 2.177 10 0 DEAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000175720923 402826577 /nfs/dbraw/zinc/82/65/77/402826577.db2.gz YIRRGRMDFFYJHQ-RHSMWYFYSA-N 2 0 303.450 2.208 10 0 DEAERP C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000195314456 402841441 /nfs/dbraw/zinc/84/14/41/402841441.db2.gz FIPAGAPRFJHNFI-KRWDZBQOSA-N 2 0 301.434 2.106 10 0 DEAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000360983458 404869191 /nfs/dbraw/zinc/86/91/91/404869191.db2.gz ARWVVZRVPKVJRS-RCCFBDPRSA-N 2 0 310.482 2.284 10 0 DEAERP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000396436391 405055889 /nfs/dbraw/zinc/05/58/89/405055889.db2.gz ZVLDZIIDMRRVAU-INIZCTEOSA-N 2 0 323.440 2.492 10 0 DEAERP c1nc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378955 405338221 /nfs/dbraw/zinc/33/82/21/405338221.db2.gz UURKKIMUMUCYKZ-HZPDHXFCSA-N 2 0 302.466 2.398 10 0 DEAERP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422762149 405681222 /nfs/dbraw/zinc/68/12/22/405681222.db2.gz RVAVFQAZDWMMLJ-ZSYWTGECSA-N 2 0 300.446 2.291 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836168 405704666 /nfs/dbraw/zinc/70/46/66/405704666.db2.gz QXYDUWYRZNTNQW-RYQLBKOJSA-N 2 0 317.477 2.244 10 0 DEAERP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000459035111 405706705 /nfs/dbraw/zinc/70/67/05/405706705.db2.gz DGEZZSZBVPMJAH-DLBZAZTESA-N 2 0 324.513 2.234 10 0 DEAERP C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000634768387 406274688 /nfs/dbraw/zinc/27/46/88/406274688.db2.gz IDJCYGAHLYECRP-IEZWGBDMSA-N 2 0 315.461 2.013 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000635005342 406397887 /nfs/dbraw/zinc/39/78/87/406397887.db2.gz UQLOOKUJQUIVMV-NZSAHSFTSA-N 2 0 301.478 2.486 10 0 DEAERP C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570918410 406455383 /nfs/dbraw/zinc/45/53/83/406455383.db2.gz IBRIRFVNDXTUMY-QXAKKESOSA-N 2 0 301.478 2.486 10 0 DEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000129159247 196024399 /nfs/dbraw/zinc/02/43/99/196024399.db2.gz RQSOHDUBBUIMMF-STQMWFEESA-N 2 0 311.223 2.353 10 0 DEAERP CC(C)[NH+](CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000132436486 196255923 /nfs/dbraw/zinc/25/59/23/196255923.db2.gz ZEZASMBXGIIOLP-CVEARBPZSA-N 2 0 312.502 2.133 10 0 DEAERP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422762146 230194611 /nfs/dbraw/zinc/19/46/11/230194611.db2.gz RVAVFQAZDWMMLJ-CADBVGFASA-N 2 0 300.446 2.291 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390700831 424917487 /nfs/dbraw/zinc/91/74/87/424917487.db2.gz CQFPQIJDQFJXOE-MSOLQXFVSA-N 2 0 317.477 2.388 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390715910 424917514 /nfs/dbraw/zinc/91/75/14/424917514.db2.gz CLTGBNYEXIIQLW-BZSNNMDCSA-N 2 0 315.461 2.142 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000407360412 424932815 /nfs/dbraw/zinc/93/28/15/424932815.db2.gz HEJSZZPGMDHDAC-OLMNPRSZSA-N 2 0 315.461 2.154 10 0 DEAERP CC[C@@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847457 269086395 /nfs/dbraw/zinc/08/63/95/269086395.db2.gz SDLGRHXFWFHVNE-CRAIPNDOSA-N 2 0 303.450 2.013 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398047015 269108036 /nfs/dbraw/zinc/10/80/36/269108036.db2.gz WDVTYVKTVFONIN-FPAYPSAMSA-N 2 0 301.478 2.485 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262662814 276247536 /nfs/dbraw/zinc/24/75/36/276247536.db2.gz HHGLLMVOTYQRSU-HZMVEIRTSA-N 2 0 307.482 2.097 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000234793778 277589627 /nfs/dbraw/zinc/58/96/27/277589627.db2.gz SZBDSETZQPSIMC-ZDUSSCGKSA-N 2 0 301.228 2.293 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000176414275 279325043 /nfs/dbraw/zinc/32/50/43/279325043.db2.gz GUDYFDARVXABBB-KRWDZBQOSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000261781911 279367728 /nfs/dbraw/zinc/36/77/28/279367728.db2.gz RYENJRUUUNZLPZ-IXDOHACOSA-N 2 0 317.481 2.346 10 0 DEAERP O=C([C@H]1CC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2)N1CCCCC1 ZINC000262000788 280125837 /nfs/dbraw/zinc/12/58/37/280125837.db2.gz UATHGBIRCRGKIG-IAGOWNOFSA-N 2 0 319.493 2.101 10 0 DEAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000188352155 333044873 /nfs/dbraw/zinc/04/48/73/333044873.db2.gz YSVWZOOCZYZVIT-CRAIPNDOSA-N 2 0 306.450 2.015 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000184935711 333202859 /nfs/dbraw/zinc/20/28/59/333202859.db2.gz AXLMHIWOZUMYRE-CVEARBPZSA-N 2 0 310.486 2.034 10 0 DEAERP CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388498867 333316854 /nfs/dbraw/zinc/31/68/54/333316854.db2.gz NMZZKNZJWHAGJY-PKOBYXMFSA-N 2 0 315.461 2.252 10 0 DEAERP C[C@@H]([NH3+])CCC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248882285 524996211 /nfs/dbraw/zinc/99/62/11/524996211.db2.gz SNCZXFVBUKEZMF-OLMMMNRUSA-N 2 0 317.477 2.387 10 0 DEAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000237976829 526513070 /nfs/dbraw/zinc/51/30/70/526513070.db2.gz PGTFIPAQTVCDHD-SQNIBIBYSA-N 2 0 319.493 2.242 10 0 DEAERP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246370073 535665354 /nfs/dbraw/zinc/66/53/54/535665354.db2.gz GMBARYSWMSLSII-ROUUACIJSA-N 2 0 315.461 2.376 10 0 DEAERP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000261975922 535913020 /nfs/dbraw/zinc/91/30/20/535913020.db2.gz QTPNLEBSELDOKI-KBPBESRZSA-N 2 0 305.422 2.083 10 0 DEAERP C[C@@H]1CN(Cc2cnc(NC(=O)CC3CC3)s2)CC[C@@H]1[NH3+] ZINC000725272092 563577485 /nfs/dbraw/zinc/57/74/85/563577485.db2.gz MDXAZCKEVVSBOI-MFKMUULPSA-N 2 0 308.451 2.051 10 0 DEAERP CC[NH+](CC)CCCC1CC[NH+](CN2CCOC2=S)CC1 ZINC000181458795 625220917 /nfs/dbraw/zinc/22/09/17/625220917.db2.gz AIJXPFDPRDRXML-UHFFFAOYSA-N 2 0 313.511 2.395 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261560369 635900059 /nfs/dbraw/zinc/90/00/59/635900059.db2.gz ZUGAVJCSOVIWDT-DJIMGWMZSA-N 2 0 303.450 2.141 10 0 DEAERP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000742196098 637340055 /nfs/dbraw/zinc/34/00/55/637340055.db2.gz LSQFFWUQJZCYCT-OAHLLOKOSA-N 2 0 301.434 2.059 10 0 DEAERP O[C@H](CN1CCC[C@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000728686933 639285371 /nfs/dbraw/zinc/28/53/71/639285371.db2.gz YKJFOISOJIOPID-MOPGFXCFSA-N 2 0 323.525 2.031 10 0 DEAERP Cc1cc2c(nc(N3CCCC3)nc2NC2CC[NH+](C)CC2)[nH]1 ZINC000223910869 646506312 /nfs/dbraw/zinc/50/63/12/646506312.db2.gz CFCZWDXBUSPRAU-UHFFFAOYSA-N 2 0 314.437 2.373 10 0 DEAERP OC1(CC[NH2+]C2CSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717932478 1081805877 /nfs/dbraw/zinc/80/58/77/1081805877.db2.gz CMCFYIRMODCTBI-UHFFFAOYSA-N 2 0 306.475 2.109 10 0 DEAERP C[C@H]1COC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717948661 1081845653 /nfs/dbraw/zinc/84/56/53/1081845653.db2.gz FCJYFCJBTVTGRN-WMZOPIPTSA-N 2 0 318.461 2.028 10 0 DEAERP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000711436421 1087102208 /nfs/dbraw/zinc/10/22/08/1087102208.db2.gz BJOCCAZEVAMBHH-BYNSBNAKSA-N 2 0 311.470 2.362 10 0 DEAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000090326721 185291167 /nfs/dbraw/zinc/29/11/67/185291167.db2.gz HJQIPUNMKZDGCN-UPJWGTAASA-N 2 0 307.825 2.208 10 0 DEAERP CN(C[C@H]1CCC[N@@H+]1C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000092625391 185329660 /nfs/dbraw/zinc/32/96/60/185329660.db2.gz JTLQAAJGAGMDHM-RISCZKNCSA-N 2 0 301.356 2.130 10 0 DEAERP [NH3+]C1(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000237999358 539753149 /nfs/dbraw/zinc/75/31/49/539753149.db2.gz NTKICBMDJRGPJQ-QGZVFWFLSA-N 2 0 315.461 2.429 10 0 DEAERP C[NH2+][C@@H](Cc1c[nH+]ccc1N)c1ccc(Br)cn1 ZINC000140217165 186026126 /nfs/dbraw/zinc/02/61/26/186026126.db2.gz SUPYVDDLSGOBDD-ZDUSSCGKSA-N 2 0 307.195 2.325 10 0 DEAERP CC[NH2+][C@@H](Cc1cccc(Cl)c1)C[C@@H]1C[N@H+](C)CCN1C ZINC000149665353 186052050 /nfs/dbraw/zinc/05/20/50/186052050.db2.gz INYTWMWVZRNVNV-DLBZAZTESA-N 2 0 309.885 2.497 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1C(=O)CCC(C)(C)CC[NH3+] ZINC000164306188 186155195 /nfs/dbraw/zinc/15/51/95/186155195.db2.gz UWUZTRUFWGACEI-UHFFFAOYSA-N 2 0 314.861 2.436 10 0 DEAERP CC[C@@H](CC[NH3+])CCC(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164339254 186156850 /nfs/dbraw/zinc/15/68/50/186156850.db2.gz HYDCMFXCOXIFNE-GFCCVEGCSA-N 2 0 314.861 2.436 10 0 DEAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000333842870 539973551 /nfs/dbraw/zinc/97/35/51/539973551.db2.gz OOEWCOWLSVITGE-YESZJQIVSA-N 2 0 322.497 2.164 10 0 DEAERP C[NH2+][C@H](C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404312536 540144686 /nfs/dbraw/zinc/14/46/86/540144686.db2.gz MCWKTBQRNVSWPL-JJXSEGSLSA-N 2 0 303.450 2.104 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182716003 356141449 /nfs/dbraw/zinc/14/14/49/356141449.db2.gz GMBYEJIPXNDABN-IAGOWNOFSA-N 2 0 324.513 2.377 10 0 DEAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182830814 356147510 /nfs/dbraw/zinc/14/75/10/356147510.db2.gz VDJCQYIHZJPOCQ-JKSUJKDBSA-N 2 0 316.511 2.054 10 0 DEAERP Cn1ncc(Br)c1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387368833 356703311 /nfs/dbraw/zinc/70/33/11/356703311.db2.gz WFIZMPDVNIIILF-UHFFFAOYSA-N 2 0 317.275 2.393 10 0 DEAERP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)C[NH+](CC)CC)cc1 ZINC000262055387 288553363 /nfs/dbraw/zinc/55/33/63/288553363.db2.gz VHXPMVPRLMDLCG-KRWDZBQOSA-N 2 0 303.450 2.064 10 0 DEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@@H]1c1ccc(O)c(Cl)c1 ZINC000093382288 193240769 /nfs/dbraw/zinc/24/07/69/193240769.db2.gz OKCRJGBTVZGROO-CYBMUJFWSA-N 2 0 310.829 2.059 10 0 DEAERP C[NH2+][C@]1(CO)CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093618284 193275557 /nfs/dbraw/zinc/27/55/57/193275557.db2.gz QOAIAMGPXCPYIO-JSGCOSHPSA-N 2 0 308.388 2.401 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093782959 193307959 /nfs/dbraw/zinc/30/79/59/193307959.db2.gz XGYWVPLAKISYGJ-DLBZAZTESA-N 2 0 300.487 2.264 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1[C@@H]([NH3+])C1CCC1 ZINC000159976871 197377494 /nfs/dbraw/zinc/37/74/94/197377494.db2.gz WMXJYOKKAFEBAF-NSHDSACASA-N 2 0 301.232 2.007 10 0 DEAERP CC[NH+](CC)CCC[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000037853261 182932040 /nfs/dbraw/zinc/93/20/40/182932040.db2.gz NERCOMUZNVZHHV-OAHLLOKOSA-N 2 0 314.857 2.401 10 0 DEAERP C[NH+](C)CCCn1c2ccc(C(F)(F)F)cc2nc1C[NH3+] ZINC000040404371 183062270 /nfs/dbraw/zinc/06/22/70/183062270.db2.gz HUEBFYMPFPTJBA-UHFFFAOYSA-N 2 0 300.328 2.466 10 0 DEAERP CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCCN(C(C)=O)CC1 ZINC000043248983 183347296 /nfs/dbraw/zinc/34/72/96/183347296.db2.gz FBBPWCASFJCEBX-CABCVRRESA-N 2 0 309.479 2.389 10 0 DEAERP C[NH2+]Cc1nc(CN2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000052484142 183861909 /nfs/dbraw/zinc/86/19/09/183861909.db2.gz YTOPURMXFJDASR-UHFFFAOYSA-N 2 0 308.495 2.313 10 0 DEAERP CN(CC[C@@H]([NH3+])c1ccc(Br)cc1)CC[NH+](C)C ZINC000111147017 194394889 /nfs/dbraw/zinc/39/48/89/194394889.db2.gz SKWYMRLATGGXMC-CQSZACIVSA-N 2 0 314.271 2.332 10 0 DEAERP CCC1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]CC1 ZINC000062849709 184256759 /nfs/dbraw/zinc/25/67/59/184256759.db2.gz PGIDOCKOKHODTN-ZDUSSCGKSA-N 2 0 309.479 2.247 10 0 DEAERP c1ccc(N2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000158796361 197301540 /nfs/dbraw/zinc/30/15/40/197301540.db2.gz LCHSVVISZYWVCI-UHFFFAOYSA-N 2 0 317.477 2.357 10 0 DEAERP C[NH+](C)CCn1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000158353297 197265055 /nfs/dbraw/zinc/26/50/55/197265055.db2.gz MBGUDHFIAIGQAA-UHFFFAOYSA-N 2 0 301.163 2.082 10 0 DEAERP CCCNc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(SC)n1 ZINC000157408000 197185664 /nfs/dbraw/zinc/18/56/64/197185664.db2.gz KDWOWFFWFCEIFU-GFCCVEGCSA-N 2 0 307.467 2.305 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C)c1C(N)=S ZINC000156698031 197134109 /nfs/dbraw/zinc/13/41/09/197134109.db2.gz TVHUGUBIQHEDCQ-CYBMUJFWSA-N 2 0 306.479 2.253 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156277788 197101398 /nfs/dbraw/zinc/10/13/98/197101398.db2.gz IFPAJPBDVDYJFO-DLBZAZTESA-N 2 0 324.513 2.377 10 0 DEAERP COc1cccc(C[N@@H+]2CC[C@@]3(C2)C[C@@H]([NH+](C)C)CCO3)c1 ZINC000248031764 257111180 /nfs/dbraw/zinc/11/11/80/257111180.db2.gz TXHXKLQHLOZNAU-WMZOPIPTSA-N 2 0 304.434 2.380 10 0 DEAERP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CC4)CCO[C@H]3C2)n1 ZINC000247869746 257115505 /nfs/dbraw/zinc/11/55/05/257115505.db2.gz KMBPWVKZHIBCLG-HKUYNNGSSA-N 2 0 315.461 2.323 10 0 DEAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](C[NH+]4CCOCC4)[C@@H]3C2)nc1 ZINC000253596303 257104960 /nfs/dbraw/zinc/10/49/60/257104960.db2.gz PRONJFPDDJLJRK-AOIWGVFYSA-N 2 0 315.461 2.262 10 0 DEAERP C[NH2+]Cc1cc(OCCC[NH+](C)C)ccc1Br ZINC000122044548 195393999 /nfs/dbraw/zinc/39/39/99/195393999.db2.gz DAZQDNMMYPQULM-UHFFFAOYSA-N 2 0 301.228 2.499 10 0 DEAERP Cn1c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2sc1=O ZINC000192469832 145073784 /nfs/dbraw/zinc/07/37/84/145073784.db2.gz JDHOTYCDDPTBQA-ZDUSSCGKSA-N 2 0 317.458 2.174 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246281107 145097250 /nfs/dbraw/zinc/09/72/50/145097250.db2.gz JZVIEWATNJGQKA-OAGGEKHMSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000247500385 145139195 /nfs/dbraw/zinc/13/91/95/145139195.db2.gz UZKXBPCZLNZZRI-CVEARBPZSA-N 2 0 322.497 2.129 10 0 DEAERP CCC[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000248795178 145168119 /nfs/dbraw/zinc/16/81/19/145168119.db2.gz JCWCFFMQAVWUII-BPQIPLTHSA-N 2 0 317.477 2.353 10 0 DEAERP C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261560403 145208076 /nfs/dbraw/zinc/20/80/76/145208076.db2.gz ZWTVZXGDPXHJSV-DZOHQFGASA-N 2 0 315.461 2.141 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3CC[C@@](C)(C[NH3+])C3)sc2C1 ZINC000261660729 145214437 /nfs/dbraw/zinc/21/44/37/145214437.db2.gz IDWGVEYJOARSJP-INIZCTEOSA-N 2 0 308.495 2.080 10 0 DEAERP C[C@]1(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC[NH2+]C1 ZINC000261695450 145217745 /nfs/dbraw/zinc/21/77/45/145217745.db2.gz BFJKXCNKIMGTFU-SFHVURJKSA-N 2 0 307.482 2.147 10 0 DEAERP C[C@@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000261713199 145218938 /nfs/dbraw/zinc/21/89/38/145218938.db2.gz KSPVSYHVDZUMHZ-LBPRGKRZSA-N 2 0 319.424 2.436 10 0 DEAERP C[C@@H]([NH3+])CC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000261858356 145234329 /nfs/dbraw/zinc/23/43/29/145234329.db2.gz PLXRHIDIGVAKFD-CHWSQXEVSA-N 2 0 309.841 2.283 10 0 DEAERP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261927413 145243556 /nfs/dbraw/zinc/24/35/56/145243556.db2.gz IXBNQWAKLXKNIT-WBVHZDCISA-N 2 0 307.482 2.371 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3C[C@H](C)[NH2+]C[C@@H]3C)sc2C1 ZINC000262014986 145252994 /nfs/dbraw/zinc/25/29/94/145252994.db2.gz MQKOACRZYHOLDJ-STQMWFEESA-N 2 0 308.495 2.092 10 0 DEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262031665 145255070 /nfs/dbraw/zinc/25/50/70/145255070.db2.gz FDJLSMOXHYYZIZ-OYNAJUFXSA-N 2 0 315.461 2.476 10 0 DEAERP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258661 /nfs/dbraw/zinc/25/86/61/145258661.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 2 0 322.522 2.205 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)[C@@H](C)C1 ZINC000358300019 147109069 /nfs/dbraw/zinc/10/90/69/147109069.db2.gz NFXJECUFCKCNFP-MPGHIAIKSA-N 2 0 322.497 2.376 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000129925500 401811797 /nfs/dbraw/zinc/81/17/97/401811797.db2.gz YPDIDGVNCJBWIJ-NCOADZHNSA-N 2 0 324.513 2.231 10 0 DEAERP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000127813030 401750760 /nfs/dbraw/zinc/75/07/60/401750760.db2.gz QHYOTFKJSMOBDT-HZPDHXFCSA-N 2 0 312.502 2.090 10 0 DEAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000120145366 401979605 /nfs/dbraw/zinc/97/96/05/401979605.db2.gz MALHFAVLMDYVHA-DOTOQJQBSA-N 2 0 309.498 2.343 10 0 DEAERP C[C@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000047969062 401991390 /nfs/dbraw/zinc/99/13/90/401991390.db2.gz CKGDPBWLSFLUON-INIZCTEOSA-N 2 0 307.482 2.053 10 0 DEAERP CC(C)Cn1ccnc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121657529 402047355 /nfs/dbraw/zinc/04/73/55/402047355.db2.gz ASINWUJJVLCFAI-GJZGRUSLSA-N 2 0 321.469 2.067 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000152373802 402092429 /nfs/dbraw/zinc/09/24/29/402092429.db2.gz HRGUUVRGYQXOKK-BRWVUGGUSA-N 2 0 324.513 2.231 10 0 DEAERP COc1ccc2oc(CNC[C@@H](O)C[NH+]3CCCCC3)cc2c1 ZINC000124209999 402169022 /nfs/dbraw/zinc/16/90/22/402169022.db2.gz QBQZEBGNGRBMHO-OAHLLOKOSA-N 2 0 318.417 2.378 10 0 DEAERP C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@H+](C)C1CC1 ZINC000107846998 402241663 /nfs/dbraw/zinc/24/16/63/402241663.db2.gz XEONCICDCHSYCI-NVXWUHKLSA-N 2 0 322.497 2.129 10 0 DEAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COCc2ccccc2)CC1 ZINC000177051122 402364209 /nfs/dbraw/zinc/36/42/09/402364209.db2.gz LDBRQMLIVKPGMQ-LJQANCHMSA-N 2 0 320.477 2.370 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185806272 402379148 /nfs/dbraw/zinc/37/91/48/402379148.db2.gz LNXQKCALERPWIO-CVEARBPZSA-N 2 0 324.513 2.136 10 0 DEAERP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000163609547 402453781 /nfs/dbraw/zinc/45/37/81/402453781.db2.gz KGHLFCGBWPNHTO-ULQDDVLXSA-N 2 0 307.482 2.289 10 0 DEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247284935 402562779 /nfs/dbraw/zinc/56/27/79/402562779.db2.gz KMWDQEHRGAQEDT-ULQDDVLXSA-N 2 0 324.513 2.088 10 0 DEAERP CCn1nccc1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190478318 402604189 /nfs/dbraw/zinc/60/41/89/402604189.db2.gz OJMDAGVYNWRFAC-QGZVFWFLSA-N 2 0 313.449 2.252 10 0 DEAERP CCCn1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000172044000 402637941 /nfs/dbraw/zinc/63/79/41/402637941.db2.gz AMBBUYSHZCPNJY-IYBDPMFKSA-N 2 0 308.470 2.272 10 0 DEAERP CCCn1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000172044002 402638098 /nfs/dbraw/zinc/63/80/98/402638098.db2.gz AMBBUYSHZCPNJY-HZPDHXFCSA-N 2 0 308.470 2.272 10 0 DEAERP CO[C@@H]1C[NH+](CCCC[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000251853859 402651000 /nfs/dbraw/zinc/65/10/00/402651000.db2.gz NSPVRTBWVKEIMC-XMTFNYHQSA-N 2 0 312.498 2.480 10 0 DEAERP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000261811694 402717456 /nfs/dbraw/zinc/71/74/56/402717456.db2.gz HLESAYHWEBYPFY-DLBZAZTESA-N 2 0 315.461 2.237 10 0 DEAERP COc1ccccc1[C@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000261836645 402718016 /nfs/dbraw/zinc/71/80/16/402718016.db2.gz UDEMQCWQYLXAMM-QGZVFWFLSA-N 2 0 303.450 2.031 10 0 DEAERP C[C@@]1(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC[NH2+]C1 ZINC000261901770 402719444 /nfs/dbraw/zinc/71/94/44/402719444.db2.gz WGFZUQNITZPHHK-MAUKXSAKSA-N 2 0 317.481 2.184 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000173471259 402699010 /nfs/dbraw/zinc/69/90/10/402699010.db2.gz PPMOHVWKRWYWGU-IAGOWNOFSA-N 2 0 307.482 2.192 10 0 DEAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262984715 402739717 /nfs/dbraw/zinc/73/97/17/402739717.db2.gz MZATZJGFKRMBNK-AEFFLSMTSA-N 2 0 307.482 2.228 10 0 DEAERP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000183533949 402774535 /nfs/dbraw/zinc/77/45/35/402774535.db2.gz IFWAKAMVUYIWSD-UHFFFAOYSA-N 2 0 312.417 2.009 10 0 DEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000175769698 402831015 /nfs/dbraw/zinc/83/10/15/402831015.db2.gz BTHDUGXAPIBTCG-QGZVFWFLSA-N 2 0 324.513 2.090 10 0 DEAERP CN1CCC[C@@H]1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195171 402836076 /nfs/dbraw/zinc/83/60/76/402836076.db2.gz PDGIWWZIJFHUMB-RHSMWYFYSA-N 2 0 311.470 2.317 10 0 DEAERP Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)nc(C(C)C)n1 ZINC000301298777 403612636 /nfs/dbraw/zinc/61/26/36/403612636.db2.gz TVTAXOHNMRCSNH-AWEZNQCLSA-N 2 0 302.426 2.357 10 0 DEAERP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@H]21 ZINC000333135445 403674115 /nfs/dbraw/zinc/67/41/15/403674115.db2.gz BMWYOTUVZDCIJL-RRFJBIMHSA-N 2 0 301.438 2.031 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000333586716 403785706 /nfs/dbraw/zinc/78/57/06/403785706.db2.gz OEGKHKLSAZOBBA-OIISXLGYSA-N 2 0 322.497 2.081 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000358300024 404758615 /nfs/dbraw/zinc/75/86/15/404758615.db2.gz NFXJECUFCKCNFP-VKJFTORMSA-N 2 0 322.497 2.376 10 0 DEAERP C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400452315 405063465 /nfs/dbraw/zinc/06/34/65/405063465.db2.gz RLDZUHXAJAAYJM-QXAKKESOSA-N 2 0 301.478 2.486 10 0 DEAERP c1ccc(N2CC[NH+](CCCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000367540213 405078023 /nfs/dbraw/zinc/07/80/23/405078023.db2.gz JHPQXMCODYATCA-KDURUIRLSA-N 2 0 315.461 2.062 10 0 DEAERP COC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000580468027 405623365 /nfs/dbraw/zinc/62/33/65/405623365.db2.gz KUWHEGFBGXZEIT-OKYOBFRVSA-N 2 0 318.461 2.169 10 0 DEAERP CC1=CCN(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000546573308 406362150 /nfs/dbraw/zinc/36/21/50/406362150.db2.gz DCFLOAJODFHXFP-UHFFFAOYSA-N 2 0 306.372 2.464 10 0 DEAERP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638074376 406555836 /nfs/dbraw/zinc/55/58/36/406555836.db2.gz MDCKXTXSQAHGOB-ZWKOTPCHSA-N 2 0 313.445 2.157 10 0 DEAERP CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638100759 406569968 /nfs/dbraw/zinc/56/99/68/406569968.db2.gz NONBZMSWRHRCTM-QGZVFWFLSA-N 2 0 313.445 2.157 10 0 DEAERP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000572256161 406633804 /nfs/dbraw/zinc/63/38/04/406633804.db2.gz CQWNFLYYVDTHNO-BPQIPLTHSA-N 2 0 315.461 2.107 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555010098 406831779 /nfs/dbraw/zinc/83/17/79/406831779.db2.gz AJGBGORDOLMOCW-UHFFFAOYSA-N 2 0 303.450 2.306 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000173860828 287220937 /nfs/dbraw/zinc/22/09/37/287220937.db2.gz WUUHZXXCNAUQHC-GVDBMIGSSA-N 2 0 322.497 2.129 10 0 DEAERP [NH3+]C1CCN([C@H]2CC[N@H+](CCSc3ccccc3)C2)CC1 ZINC000130806834 196111634 /nfs/dbraw/zinc/11/16/34/196111634.db2.gz UOWYJZUQEGBWCT-INIZCTEOSA-N 2 0 305.491 2.276 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132166769 196232517 /nfs/dbraw/zinc/23/25/17/196232517.db2.gz TZGOQEDSCGSBIJ-RDJZCZTQSA-N 2 0 324.513 2.279 10 0 DEAERP Cn1ccnc1CN(C(=O)CC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000262025186 225263532 /nfs/dbraw/zinc/26/35/32/225263532.db2.gz NLGXLCQXFWKHNI-HNNXBMFYSA-N 2 0 316.449 2.081 10 0 DEAERP C[C@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000398035623 424922597 /nfs/dbraw/zinc/92/25/97/424922597.db2.gz PNNWLXKYOXANKM-IWCVFHTOSA-N 2 0 315.461 2.283 10 0 DEAERP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381841 425591166 /nfs/dbraw/zinc/59/11/66/425591166.db2.gz MXBRDCXHIBNKPN-WBVHZDCISA-N 2 0 315.461 2.013 10 0 DEAERP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381837 425591194 /nfs/dbraw/zinc/59/11/94/425591194.db2.gz MXBRDCXHIBNKPN-NVXWUHKLSA-N 2 0 315.461 2.013 10 0 DEAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333774981 268990801 /nfs/dbraw/zinc/99/08/01/268990801.db2.gz CRJUOPFRCGTXQO-MRXNPFEDSA-N 2 0 324.513 2.472 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000390573403 269097739 /nfs/dbraw/zinc/09/77/39/269097739.db2.gz CQJAKGDIXHRIFL-ZIFCJYIRSA-N 2 0 301.478 2.438 10 0 DEAERP CC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000450494473 277097522 /nfs/dbraw/zinc/09/75/22/277097522.db2.gz MAQOLAFSNRQDSE-YJBOKZPZSA-N 2 0 310.482 2.303 10 0 DEAERP C[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237548921 298285844 /nfs/dbraw/zinc/28/58/44/298285844.db2.gz CAJYMDXYEXZPKL-CVEARBPZSA-N 2 0 307.482 2.099 10 0 DEAERP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309738541 625548550 /nfs/dbraw/zinc/54/85/50/625548550.db2.gz VDAOSVVSDRHDJX-WMZOPIPTSA-N 2 0 303.450 2.237 10 0 DEAERP C[C@@H](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@H+](C)Cc1ccccc1 ZINC000713419570 792221494 /nfs/dbraw/zinc/22/14/94/792221494.db2.gz DBUYWBNYZMJWMD-RUENVJTFSA-N 2 0 315.461 2.141 10 0 DEAERP C[C@H]1C[C@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000717935497 1081809351 /nfs/dbraw/zinc/80/93/51/1081809351.db2.gz KNINJJDUCIQGOK-WMZOPIPTSA-N 2 0 318.461 2.171 10 0 DEAERP c1nn(-c2ccccc2)nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278537605 214220865 /nfs/dbraw/zinc/22/08/65/214220865.db2.gz WPXPDEXIFMNLKM-UHFFFAOYSA-N 2 0 311.433 2.231 10 0 DEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000183471113 282307707 /nfs/dbraw/zinc/30/77/07/282307707.db2.gz IOXRFWPPBASHBH-AWEZNQCLSA-N 2 0 318.446 2.242 10 0 DEAERP [NH3+]CC1(C[NH2+]Cc2ccc(Br)s2)CCOCC1 ZINC000138234496 186014861 /nfs/dbraw/zinc/01/48/61/186014861.db2.gz TZNAZZVOXAYGTP-UHFFFAOYSA-N 2 0 319.268 2.356 10 0 DEAERP NC(=[NH2+])c1cc(OCC[NH+]2CCCC2)ccc1C(F)(F)F ZINC000164323748 186155967 /nfs/dbraw/zinc/15/59/67/186155967.db2.gz HPVNKRMINSKEJT-UHFFFAOYSA-N 2 0 301.312 2.464 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073653911 191336361 /nfs/dbraw/zinc/33/63/61/191336361.db2.gz POMKOBAUCWGIMM-HNSVSWJLSA-N 2 0 310.486 2.031 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382727582 540123349 /nfs/dbraw/zinc/12/33/49/540123349.db2.gz WCJZPFPPVDQKOQ-FUHWJXTLSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000398065393 540140595 /nfs/dbraw/zinc/14/05/95/540140595.db2.gz HLLNVASRKYBADY-HOCLYGCPSA-N 2 0 301.434 2.037 10 0 DEAERP C[C@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000182052319 356107063 /nfs/dbraw/zinc/10/70/63/356107063.db2.gz UXHZFPLDDVZRJD-KRWDZBQOSA-N 2 0 303.494 2.481 10 0 DEAERP CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381617207 356672100 /nfs/dbraw/zinc/67/21/00/356672100.db2.gz ZGSOJPMGACQASU-QGZVFWFLSA-N 2 0 303.450 2.107 10 0 DEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000359667815 283338284 /nfs/dbraw/zinc/33/82/84/283338284.db2.gz PWKAWYKJCMXOSB-IRXDYDNUSA-N 2 0 307.482 2.195 10 0 DEAERP C[C@@H]([NH3+])CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000193318121 201028357 /nfs/dbraw/zinc/02/83/57/201028357.db2.gz SSAHFYJCJWSQON-CYBMUJFWSA-N 2 0 302.422 2.269 10 0 DEAERP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)[C@H]2C1 ZINC000623526711 365063006 /nfs/dbraw/zinc/06/30/06/365063006.db2.gz OTLFHEKGNQCSNP-QAETUUGQSA-N 2 0 307.482 2.096 10 0 DEAERP Cc1cc([C@@H](C[NH3+])N2CC[NH+](C)CC2)ccc1Br ZINC000091470365 193060253 /nfs/dbraw/zinc/06/02/53/193060253.db2.gz DHXFILPMWRLAHA-CQSZACIVSA-N 2 0 312.255 2.005 10 0 DEAERP c1ccc(COCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629591592 367266401 /nfs/dbraw/zinc/26/64/01/367266401.db2.gz KGDAALNBIRSTGP-LJQANCHMSA-N 2 0 318.461 2.294 10 0 DEAERP CCCN(CC[NH+](C)C)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334245 193360476 /nfs/dbraw/zinc/36/04/76/193360476.db2.gz WYRYNZVOUYTOEP-UHFFFAOYSA-N 2 0 304.360 2.337 10 0 DEAERP [NH3+]CCCC[N@@H+]1CCCN(c2ncc(Cl)cc2F)CC1 ZINC000094051882 193341839 /nfs/dbraw/zinc/34/18/39/193341839.db2.gz YOKRZMMXJGGNHA-UHFFFAOYSA-N 2 0 300.809 2.125 10 0 DEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000019258713 182112073 /nfs/dbraw/zinc/11/20/73/182112073.db2.gz ODEZIZHDHPDLPO-CQSZACIVSA-N 2 0 312.255 2.086 10 0 DEAERP Cc1ncsc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770314 183131753 /nfs/dbraw/zinc/13/17/53/183131753.db2.gz KSEFQWBHEPOVOD-DZGCQCFKSA-N 2 0 310.511 2.374 10 0 DEAERP C[NH+](C)CC1CC[NH+](Cc2ccc(C(N)=S)cc2F)CC1 ZINC000042393913 183263711 /nfs/dbraw/zinc/26/37/11/183263711.db2.gz FOBLOSPYYCWXET-UHFFFAOYSA-N 2 0 309.454 2.234 10 0 DEAERP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000043019828 183328576 /nfs/dbraw/zinc/32/85/76/183328576.db2.gz RUDLLMYILNSNLF-RISCZKNCSA-N 2 0 312.255 2.085 10 0 DEAERP C[NH2+][C@@H](CN(C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000111134730 194394774 /nfs/dbraw/zinc/39/47/74/194394774.db2.gz CHPXNTXXEJFNSY-AWEZNQCLSA-N 2 0 303.372 2.459 10 0 DEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000111132478 194394655 /nfs/dbraw/zinc/39/46/55/194394655.db2.gz CLFUNRXIRHGJBO-LBPRGKRZSA-N 2 0 305.344 2.078 10 0 DEAERP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC[NH+](C)C ZINC000111129683 194393150 /nfs/dbraw/zinc/39/31/50/194393150.db2.gz LWGGCDXBZLZXDO-BXUZGUMPSA-N 2 0 314.271 2.331 10 0 DEAERP CC[C@@H]([NH3+])[C@@H](N1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000062038033 184202851 /nfs/dbraw/zinc/20/28/51/184202851.db2.gz MGGBHQWMDRFMMQ-ZIAGYGMSSA-N 2 0 307.404 2.462 10 0 DEAERP Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000062092581 184205625 /nfs/dbraw/zinc/20/56/25/184205625.db2.gz YHKPNMZQJSQICL-KRWDZBQOSA-N 2 0 317.477 2.416 10 0 DEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000062964750 184263082 /nfs/dbraw/zinc/26/30/82/184263082.db2.gz AANPYDZJKIZMGQ-KGLIPLIRSA-N 2 0 301.356 2.341 10 0 DEAERP c1csc(CC[NH2+]CCN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000062974786 184263811 /nfs/dbraw/zinc/26/38/11/184263811.db2.gz GRXMPVUKAKXFTR-MRXNPFEDSA-N 2 0 307.507 2.440 10 0 DEAERP C[C@H]1C[C@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC[N@@H+]1C ZINC000158927963 197312124 /nfs/dbraw/zinc/31/21/24/197312124.db2.gz IOBNPRMNIZEBBW-VHSXEESVSA-N 2 0 302.344 2.203 10 0 DEAERP C[C@H](CC[NH+]1CCN(CC(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000156287729 197102068 /nfs/dbraw/zinc/10/20/68/197102068.db2.gz WQPWHDCTGFLBMO-KGLIPLIRSA-N 2 0 307.404 2.192 10 0 DEAERP C[N@@H+]1CC[C@@H]2[C@@H](C[C@H](C[NH+]3CCCC3)N2c2nccs2)C1 ZINC000248148468 257108543 /nfs/dbraw/zinc/10/85/43/257108543.db2.gz SMOMDICIHTXCCV-RRFJBIMHSA-N 2 0 306.479 2.138 10 0 DEAERP CCOCC[NH+](CCOCC)C[C@H]1CCC(C)(C)[C@H]1[NH2+]C ZINC000124190395 195614496 /nfs/dbraw/zinc/61/44/96/195614496.db2.gz CXUUQVGWVZUCBB-CVEARBPZSA-N 2 0 300.487 2.386 10 0 DEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000362721932 133247997 /nfs/dbraw/zinc/24/79/97/133247997.db2.gz DCQRJNWSCFYMMS-QGZVFWFLSA-N 2 0 309.498 2.489 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247280252 145131639 /nfs/dbraw/zinc/13/16/39/145131639.db2.gz KHEOIAXAVSPVJB-UCHQMPSGSA-N 2 0 322.497 2.030 10 0 DEAERP C[C@@H]1C[C@@H](CCNC2=[NH+]CCCN2)C[N@@H+]1Cc1ccccc1 ZINC000261862064 145234720 /nfs/dbraw/zinc/23/47/20/145234720.db2.gz NHVGXAAXOQTVDJ-NVXWUHKLSA-N 2 0 300.450 2.226 10 0 DEAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[C@H]1c1ccccc1 ZINC000261876016 145236197 /nfs/dbraw/zinc/23/61/97/145236197.db2.gz XXBQCARKGNSRMK-VSZNYVQBSA-N 2 0 315.461 2.237 10 0 DEAERP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]([NH3+])c1ccccc1 ZINC000261881984 145236619 /nfs/dbraw/zinc/23/66/19/145236619.db2.gz UJCJKDFJKPSCEF-HYMJZGCSSA-N 2 0 301.434 2.064 10 0 DEAERP CN1CC[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)[C@@H]1c1cccnc1 ZINC000262003817 145252281 /nfs/dbraw/zinc/25/22/81/145252281.db2.gz UKTPSFBRVAXPFY-ROUUACIJSA-N 2 0 302.466 2.006 10 0 DEAERP C[C@@]1(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC[NH2+]C1 ZINC000262079676 145259670 /nfs/dbraw/zinc/25/96/70/145259670.db2.gz SYQVNNYTSJSCHC-LJQANCHMSA-N 2 0 315.461 2.014 10 0 DEAERP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262324816 145276830 /nfs/dbraw/zinc/27/68/30/145276830.db2.gz FXRCLKIFNDVHKQ-JENIJYKNSA-N 2 0 319.493 2.147 10 0 DEAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262364042 145279192 /nfs/dbraw/zinc/27/91/92/145279192.db2.gz JAZJEICMOPDLGT-VGWMRTNUSA-N 2 0 309.498 2.247 10 0 DEAERP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cnc4cnccn34)C2)c1 ZINC000371374147 148094258 /nfs/dbraw/zinc/09/42/58/148094258.db2.gz PQBRFYWQZBETMD-HNNXBMFYSA-N 2 0 322.416 2.367 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085362900 401914476 /nfs/dbraw/zinc/91/44/76/401914476.db2.gz ATRZJDNPSJNUJR-HUUCEWRRSA-N 2 0 314.518 2.238 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000048215935 401995962 /nfs/dbraw/zinc/99/59/62/401995962.db2.gz RRFYQRNKAXHZHU-NVXWUHKLSA-N 2 0 320.481 2.319 10 0 DEAERP CC(C)[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106902378 402221341 /nfs/dbraw/zinc/22/13/41/402221341.db2.gz JETLNKQURDGRMY-GOSISDBHSA-N 2 0 317.477 2.148 10 0 DEAERP C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000108894867 402263810 /nfs/dbraw/zinc/26/38/10/402263810.db2.gz WVTHAMUXIRQZSP-XHSDSOJGSA-N 2 0 307.482 2.335 10 0 DEAERP CC[C@@H](C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)[NH+](C)C ZINC000125366861 402228029 /nfs/dbraw/zinc/22/80/29/402228029.db2.gz VOQDMVIAMOGQHU-CJNGLKHVSA-N 2 0 300.406 2.390 10 0 DEAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC(C)(C)O ZINC000105903275 402210576 /nfs/dbraw/zinc/21/05/76/402210576.db2.gz ACZHZSWPWYPALC-GOSISDBHSA-N 2 0 320.477 2.135 10 0 DEAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000237887778 402424584 /nfs/dbraw/zinc/42/45/84/402424584.db2.gz WYPUUSPYZJWQFQ-IRXDYDNUSA-N 2 0 307.482 2.228 10 0 DEAERP CCC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)C ZINC000162676336 402428187 /nfs/dbraw/zinc/42/81/87/402428187.db2.gz VNLVIJMMPCXJIH-DJIMGWMZSA-N 2 0 307.482 2.192 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)[nH+]1 ZINC000245459256 402462745 /nfs/dbraw/zinc/46/27/45/402462745.db2.gz DJTYJQNZLRTCEI-CVEARBPZSA-N 2 0 316.449 2.133 10 0 DEAERP C[C@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000187404560 402499034 /nfs/dbraw/zinc/49/90/34/402499034.db2.gz GOKALONPOXLUKB-ROUUACIJSA-N 2 0 303.494 2.481 10 0 DEAERP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000246756386 402543699 /nfs/dbraw/zinc/54/36/99/402543699.db2.gz BPXPZWKRLJWZRX-LTIDMASMSA-N 2 0 324.513 2.135 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247125250 402557632 /nfs/dbraw/zinc/55/76/32/402557632.db2.gz RZPBPZAVXDACLB-QBPKDAKJSA-N 2 0 322.497 2.127 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000246327952 402525191 /nfs/dbraw/zinc/52/51/91/402525191.db2.gz CPXMDWUDKAMSFD-DOTOQJQBSA-N 2 0 324.513 2.233 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246383547 402528094 /nfs/dbraw/zinc/52/80/94/402528094.db2.gz IMGFBEGYCBZNKL-IKGGRYGDSA-N 2 0 324.513 2.090 10 0 DEAERP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000170829531 402530422 /nfs/dbraw/zinc/53/04/22/402530422.db2.gz CUPVABOXSIMKQD-DLBZAZTESA-N 2 0 324.513 2.088 10 0 DEAERP C[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000248489737 402593103 /nfs/dbraw/zinc/59/31/03/402593103.db2.gz NCVZOYDRTZXAPJ-GVDBMIGSSA-N 2 0 324.513 2.375 10 0 DEAERP CC(C)[C@](C)(O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000248580038 402596756 /nfs/dbraw/zinc/59/67/56/402596756.db2.gz VMTGZMMLOZPTIN-JFIYKMOQSA-N 2 0 312.498 2.215 10 0 DEAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2c1NCC2 ZINC000261787644 402716933 /nfs/dbraw/zinc/71/69/33/402716933.db2.gz FYZMFDCLBNZBAJ-SQNIBIBYSA-N 2 0 315.461 2.338 10 0 DEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172608196 402666167 /nfs/dbraw/zinc/66/61/67/402666167.db2.gz ZEEFEJRALYSKEX-QGZVFWFLSA-N 2 0 322.497 2.132 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000193134318 402766597 /nfs/dbraw/zinc/76/65/97/402766597.db2.gz VFHFTKGCHAPJJB-MRXNPFEDSA-N 2 0 312.502 2.135 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)[nH+]1 ZINC000195516128 402849568 /nfs/dbraw/zinc/84/95/68/402849568.db2.gz BULJMHSSRSHYBL-OAHLLOKOSA-N 2 0 316.449 2.183 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000333358956 403733772 /nfs/dbraw/zinc/73/37/72/403733772.db2.gz KUBZDLAYYJZTRV-ARFHVFGLSA-N 2 0 310.486 2.018 10 0 DEAERP CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309702697 403961873 /nfs/dbraw/zinc/96/18/73/403961873.db2.gz GTJVSIVCGPOZQT-ZWKOTPCHSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000396334510 405055853 /nfs/dbraw/zinc/05/58/53/405055853.db2.gz TUUCSBHWNWNPQI-NJAFHUGGSA-N 2 0 315.461 2.094 10 0 DEAERP c1nnc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC000420364352 405333464 /nfs/dbraw/zinc/33/34/64/405333464.db2.gz QPLDKAXPOFIWAK-CABCVRRESA-N 2 0 303.454 2.182 10 0 DEAERP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852533 405715438 /nfs/dbraw/zinc/71/54/38/405715438.db2.gz YCYNIYOTFCVOAY-SJLPKXTDSA-N 2 0 317.477 2.403 10 0 DEAERP c1ccc(CN2CCCO[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639106905 405886780 /nfs/dbraw/zinc/88/67/80/405886780.db2.gz XBHVYBQOEYMRBM-RTBURBONSA-N 2 0 318.461 2.436 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638119774 406581035 /nfs/dbraw/zinc/58/10/35/406581035.db2.gz VTAQFYFIKLUILD-OLMNPRSZSA-N 2 0 313.445 2.061 10 0 DEAERP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638307213 406688464 /nfs/dbraw/zinc/68/84/64/406688464.db2.gz HVEGRDCMZWOGJT-QGTPRVQTSA-N 2 0 313.445 2.061 10 0 DEAERP c1[nH+]cn2cc(C[NH2+]C3CCN(c4ccccn4)CC3)ccc12 ZINC000297387646 227101865 /nfs/dbraw/zinc/10/18/65/227101865.db2.gz BCUIWPJKYCCJJL-UHFFFAOYSA-N 2 0 307.401 2.488 10 0 DEAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380937968 424908946 /nfs/dbraw/zinc/90/89/46/424908946.db2.gz KYKCLCPYVIMOFR-OKZBNKHCSA-N 2 0 315.461 2.142 10 0 DEAERP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000190019595 267700023 /nfs/dbraw/zinc/70/00/23/267700023.db2.gz ZLVPFRCXWPMSQI-MRXNPFEDSA-N 2 0 312.502 2.090 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000397940660 269107459 /nfs/dbraw/zinc/10/74/59/269107459.db2.gz ZOGSTZICUPKEQX-MOPGFXCFSA-N 2 0 319.493 2.385 10 0 DEAERP CC(C)(CNC(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000194651844 277300226 /nfs/dbraw/zinc/30/02/26/277300226.db2.gz QNYVKJSIWIZDAI-UHFFFAOYSA-N 2 0 322.497 2.131 10 0 DEAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367125292 278341516 /nfs/dbraw/zinc/34/15/16/278341516.db2.gz DLPSQPQGQAEKER-NVXWUHKLSA-N 2 0 324.509 2.407 10 0 DEAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236902022 279123665 /nfs/dbraw/zinc/12/36/65/279123665.db2.gz CRYGWSJGFUQQPE-QAETUUGQSA-N 2 0 307.482 2.097 10 0 DEAERP COc1cc2c(cc1OC)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC000262277290 295038778 /nfs/dbraw/zinc/03/87/78/295038778.db2.gz TZQXLIBOQWAZOF-UHFFFAOYSA-N 2 0 304.434 2.104 10 0 DEAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000237934411 295319485 /nfs/dbraw/zinc/31/94/85/295319485.db2.gz ZMBTXHUWTAIZGF-GVDBMIGSSA-N 2 0 307.482 2.228 10 0 DEAERP CC(C)[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000366372721 519829442 /nfs/dbraw/zinc/82/94/42/519829442.db2.gz LVBUIHFPZPMAOC-CEXWTWQISA-N 2 0 302.462 2.457 10 0 DEAERP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)[NH3+] ZINC000249098068 524171480 /nfs/dbraw/zinc/17/14/80/524171480.db2.gz UIIOSEYSKQWTLX-ODLRDIKDSA-N 2 0 315.461 2.282 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000165867244 535352461 /nfs/dbraw/zinc/35/24/61/535352461.db2.gz LEOQOGFBHOXRDI-HNNXBMFYSA-N 2 0 309.498 2.250 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000358108318 535447753 /nfs/dbraw/zinc/44/77/53/535447753.db2.gz VRQQEYGSMWDWFN-HNNXBMFYSA-N 2 0 322.497 2.058 10 0 DEAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC000359229716 535496736 /nfs/dbraw/zinc/49/67/36/535496736.db2.gz RGECEFHHUXZWLF-UHFFFAOYSA-N 2 0 307.438 2.355 10 0 DEAERP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550898 535975829 /nfs/dbraw/zinc/97/58/29/535975829.db2.gz PXDNIBWVWWABJR-FUHWJXTLSA-N 2 0 315.461 2.109 10 0 DEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])ccc1F ZINC000263045932 535989280 /nfs/dbraw/zinc/98/92/80/535989280.db2.gz UAOAGLWQXOWUCZ-MAUKXSAKSA-N 2 0 321.440 2.411 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Br)s1 ZINC000226365960 536595369 /nfs/dbraw/zinc/59/53/69/536595369.db2.gz VLSLASGWPAYTPE-SNVBAGLBSA-N 2 0 321.284 2.397 10 0 DEAERP C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000742242128 638054300 /nfs/dbraw/zinc/05/43/00/638054300.db2.gz SGTJWOOEGSWXIV-INIZCTEOSA-N 2 0 315.461 2.497 10 0 DEAERP C[NH+](C)CCC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747532808 638448131 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C[C@H]([NH2+]Cc1cn(C)nc1Br)C1CC[NH+](C)CC1 ZINC000712427140 792187425 /nfs/dbraw/zinc/18/74/25/792187425.db2.gz VYPGTEDJSAFAHQ-JTQLQIEISA-N 2 0 315.259 2.003 10 0 DEAERP C[C@@H]1OCC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717973329 1081861479 /nfs/dbraw/zinc/86/14/79/1081861479.db2.gz HRRKBTBNSLBCDS-FUHWJXTLSA-N 2 0 318.461 2.171 10 0 DEAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702119778 1086405320 /nfs/dbraw/zinc/40/53/20/1086405320.db2.gz HQNCYHPJDFJGHA-BTHPGYMESA-N 2 0 313.489 2.296 10 0 DEAERP COCC1CC[NH+](CCCC[C@@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070335691 190881877 /nfs/dbraw/zinc/88/18/77/190881877.db2.gz JBZQFUASSJWYBV-KRWDZBQOSA-N 2 0 300.487 2.264 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000181704534 539652633 /nfs/dbraw/zinc/65/26/33/539652633.db2.gz GNIDFDJYXUPLAY-MAUKXSAKSA-N 2 0 305.441 2.426 10 0 DEAERP CC(C)OCCCN1Cc2ccc(C[NH+](C)C)cc2[C@H]1C[NH3+] ZINC000071683829 191006912 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2.097 10 0 DEAERP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404296038 540144547 /nfs/dbraw/zinc/14/45/47/540144547.db2.gz CYBVNEGOVQDBJR-HPFXQQBRSA-N 2 0 315.461 2.106 10 0 DEAERP CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000130513429 355843221 /nfs/dbraw/zinc/84/32/21/355843221.db2.gz LCQJOLZDOXXZGA-NPYXIHBLSA-N 2 0 301.434 2.036 10 0 DEAERP CN(C)C(=O)Nc1cccc(C2CC[NH+](CCC[NH3+])CC2)c1 ZINC000140292939 355884654 /nfs/dbraw/zinc/88/46/54/355884654.db2.gz YEFYICJCEBMLOD-UHFFFAOYSA-N 2 0 304.438 2.308 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000079689759 191961939 /nfs/dbraw/zinc/96/19/39/191961939.db2.gz LZXRHGIIKKSOQS-CVEARBPZSA-N 2 0 312.502 2.138 10 0 DEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000591457676 357726339 /nfs/dbraw/zinc/72/63/39/357726339.db2.gz FRGYBTYSZYZVTI-SJORKVTESA-N 2 0 307.482 2.053 10 0 DEAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C2)[nH+]1 ZINC000189367271 200388973 /nfs/dbraw/zinc/38/89/73/200388973.db2.gz MKTBBXLYOJNYQH-QWHCGFSZSA-N 2 0 317.355 2.437 10 0 DEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1csc(Br)c1 ZINC000091313902 193037766 /nfs/dbraw/zinc/03/77/66/193037766.db2.gz XCXUFJWSQPVBKB-LLVKDONJSA-N 2 0 319.268 2.321 10 0 DEAERP CCC[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000093065230 193199517 /nfs/dbraw/zinc/19/95/17/193199517.db2.gz YLZKWRAGMOSENR-KRWDZBQOSA-N 2 0 318.465 2.145 10 0 DEAERP CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000093132628 193205755 /nfs/dbraw/zinc/20/57/55/193205755.db2.gz JYQLREJWWKPYFL-GOSISDBHSA-N 2 0 317.477 2.297 10 0 DEAERP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638893 193387706 /nfs/dbraw/zinc/38/77/06/193387706.db2.gz DRDWJAHEYCUTFR-CVEARBPZSA-N 2 0 316.511 2.052 10 0 DEAERP CC(C)[NH2+]CC1CC[NH+]([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644251 193389799 /nfs/dbraw/zinc/38/97/99/193389799.db2.gz BDHQJXWZOWCELT-HZPDHXFCSA-N 2 0 316.511 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CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671544 133194382 /nfs/dbraw/zinc/19/43/82/133194382.db2.gz LHMHLZLIKKJXCC-APWZRJJASA-N 2 0 315.461 2.411 10 0 DEAERP C[C@@H]1CCC[C@](CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000262036108 296493742 /nfs/dbraw/zinc/49/37/42/296493742.db2.gz XZIYLHPUWQFALW-NNIGNNQHSA-N 2 0 323.525 2.244 10 0 DEAERP NC(=O)c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246976216 145121880 /nfs/dbraw/zinc/12/18/80/145121880.db2.gz VRJASDJYINUBIQ-FUHWJXTLSA-N 2 0 313.445 2.234 10 0 DEAERP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248828809 145169320 /nfs/dbraw/zinc/16/93/20/145169320.db2.gz APXBVRKYRCBVTB-ZMSDIMECSA-N 2 0 303.450 2.283 10 0 DEAERP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261713320 145219121 /nfs/dbraw/zinc/21/91/21/145219121.db2.gz LFUMJOFZEYRLGW-AWEZNQCLSA-N 2 0 321.440 2.324 10 0 DEAERP C[C@H](CC(=O)N(CC[NH3+])CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000261774249 145225268 /nfs/dbraw/zinc/22/52/68/145225268.db2.gz RSJYHRMSFHTWQQ-AEFFLSMTSA-N 2 0 317.477 2.042 10 0 DEAERP C[C@]1(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)CC[NH2+]C1 ZINC000261918657 145241706 /nfs/dbraw/zinc/24/17/06/145241706.db2.gz BIYPYTAYSPYJPZ-SFHVURJKSA-N 2 0 317.433 2.042 10 0 DEAERP C[N@@H+]1CC[C@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261928914 145243668 /nfs/dbraw/zinc/24/36/68/145243668.db2.gz CBGWTMYXLSVOMI-DOMZBBRYSA-N 2 0 324.831 2.411 10 0 DEAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(I)cc1 ZINC000037713731 401916399 /nfs/dbraw/zinc/91/63/99/401916399.db2.gz GYWHQHVXHOLYMX-VIFPVBQESA-N 2 0 304.175 2.291 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000152373989 402092749 /nfs/dbraw/zinc/09/27/49/402092749.db2.gz HRGUUVRGYQXOKK-IXDOHACOSA-N 2 0 324.513 2.231 10 0 DEAERP CCOc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123026298 402106558 /nfs/dbraw/zinc/10/65/58/402106558.db2.gz ANHVNIWMLQAQCT-HUUCEWRRSA-N 2 0 319.449 2.438 10 0 DEAERP CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000123554027 402134329 /nfs/dbraw/zinc/13/43/29/402134329.db2.gz IVNTTZAYVMZKIA-DOTOQJQBSA-N 2 0 303.450 2.107 10 0 DEAERP C[C@H]1C[NH+](CC2CCN(CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000153461743 402146795 /nfs/dbraw/zinc/14/67/95/402146795.db2.gz KWXZJKIPNUPQJE-ROUUACIJSA-N 2 0 323.525 2.294 10 0 DEAERP NC(=O)N1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000123868923 402151145 /nfs/dbraw/zinc/15/11/45/402151145.db2.gz LWQXHTHXTHFRPY-UHFFFAOYSA-N 2 0 322.497 2.308 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCCn1ccnc1 ZINC000124273579 402172146 /nfs/dbraw/zinc/17/21/46/402172146.db2.gz DUOIDNWNCFAKEW-MRXNPFEDSA-N 2 0 321.469 2.035 10 0 DEAERP C[C@H]1C[N@@H+](C2CCN(CCC[NH+]3CCCCC3)CC2)CCO1 ZINC000125150184 402216315 /nfs/dbraw/zinc/21/63/15/402216315.db2.gz WQEHCWZYCZKTCK-KRWDZBQOSA-N 2 0 309.498 2.048 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000185806289 402379040 /nfs/dbraw/zinc/37/90/40/402379040.db2.gz LNXQKCALERPWIO-HOTGVXAUSA-N 2 0 324.513 2.136 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000177507633 402410499 /nfs/dbraw/zinc/41/04/99/402410499.db2.gz TVRLHDLJOQNBAF-GVDBMIGSSA-N 2 0 324.513 2.233 10 0 DEAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)C1 ZINC000186269245 402416573 /nfs/dbraw/zinc/41/65/73/402416573.db2.gz STNRJEWECLGBEN-ZACQAIPSSA-N 2 0 310.482 2.282 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000177664696 402424287 /nfs/dbraw/zinc/42/42/87/402424287.db2.gz FMWLFXRMYUWESI-CYBMUJFWSA-N 2 0 312.404 2.489 10 0 DEAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000237953926 402427579 /nfs/dbraw/zinc/42/75/79/402427579.db2.gz WYPUUSPYZJWQFQ-DLBZAZTESA-N 2 0 307.482 2.228 10 0 DEAERP C[NH+](C)Cc1cccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186527069 402438986 /nfs/dbraw/zinc/43/89/86/402438986.db2.gz QGDXSZGUJHKAAV-MRXNPFEDSA-N 2 0 301.434 2.105 10 0 DEAERP [NH3+][C@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000164536181 402464491 /nfs/dbraw/zinc/46/44/91/402464491.db2.gz DTJKSFPHEIWXKP-HOCLYGCPSA-N 2 0 319.424 2.034 10 0 DEAERP Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(C)n1 ZINC000187024731 402478436 /nfs/dbraw/zinc/47/84/36/402478436.db2.gz RYDCEBPYBOSLSJ-KRWDZBQOSA-N 2 0 303.450 2.243 10 0 DEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000178296562 402481127 /nfs/dbraw/zinc/48/11/27/402481127.db2.gz SMIFZRXUANJBPU-ZWKOTPCHSA-N 2 0 324.428 2.461 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)CC(C)C ZINC000247371089 402565681 /nfs/dbraw/zinc/56/56/81/402565681.db2.gz FCPRKSMDZKAHLZ-DLBZAZTESA-N 2 0 324.513 2.233 10 0 DEAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000246185528 402517072 /nfs/dbraw/zinc/51/70/72/402517072.db2.gz MCXGQCXQFZQYGV-GVDBMIGSSA-N 2 0 324.513 2.231 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCNC2=O)C1 ZINC000246294037 402523261 /nfs/dbraw/zinc/52/32/61/402523261.db2.gz NLRFFVFYALFZLK-DAYGRLMNSA-N 2 0 315.461 2.143 10 0 DEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246406466 402529251 /nfs/dbraw/zinc/52/92/51/402529251.db2.gz LQPBHMDPEGZRNY-GVDBMIGSSA-N 2 0 324.513 2.088 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246438668 402531220 /nfs/dbraw/zinc/53/12/20/402531220.db2.gz UBGAQOAQYZWPQZ-RDJZCZTQSA-N 2 0 324.513 2.233 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000246483829 402533378 /nfs/dbraw/zinc/53/33/78/402533378.db2.gz RCPMTNIWTRFLRA-BBWFWOEESA-N 2 0 324.513 2.090 10 0 DEAERP C[C@@H](CCNC(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000248373933 402588493 /nfs/dbraw/zinc/58/84/93/402588493.db2.gz MPTUJLPBZBKFCZ-SJORKVTESA-N 2 0 324.513 2.425 10 0 DEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000262653735 402729029 /nfs/dbraw/zinc/72/90/29/402729029.db2.gz BODAKCGCSAJPOB-JCGIZDLHSA-N 2 0 317.477 2.313 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C1 ZINC000263289718 402754919 /nfs/dbraw/zinc/75/49/19/402754919.db2.gz LHPKXUWPUGPQPH-HUUCEWRRSA-N 2 0 315.461 2.000 10 0 DEAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333331886 403726826 /nfs/dbraw/zinc/72/68/26/403726826.db2.gz WIHQMBKWZIVUBD-VSPZMHAVSA-N 2 0 313.445 2.407 10 0 DEAERP CC(C)[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000333943874 403903373 /nfs/dbraw/zinc/90/33/73/403903373.db2.gz RLOGGRRMQXPBFL-IAGOWNOFSA-N 2 0 324.513 2.184 10 0 DEAERP C([C@H]1CCOC1)[NH+]1CCCC2(CCC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000351998710 404065815 /nfs/dbraw/zinc/06/58/15/404065815.db2.gz XVOUXMJZMARCPG-PWCSWUJKSA-N 2 0 322.493 2.237 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458669043 405533732 /nfs/dbraw/zinc/53/37/32/405533732.db2.gz STUMHAMCQGSODZ-UHFFFAOYSA-N 2 0 310.486 2.058 10 0 DEAERP C[NH2+][C@H](C)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851510 405713625 /nfs/dbraw/zinc/71/36/25/405713625.db2.gz NHNFTPHXOCRCSN-NVXWUHKLSA-N 2 0 303.450 2.155 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000635003150 406395564 /nfs/dbraw/zinc/39/55/64/406395564.db2.gz GPSUJFPVFLFZPV-WDSOQIARSA-N 3 0 319.493 2.098 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)CCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638103174 406571405 /nfs/dbraw/zinc/57/14/05/406571405.db2.gz LJHKHMCZCPTNHI-CRAIPNDOSA-N 2 0 315.461 2.155 10 0 DEAERP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000129159677 196024730 /nfs/dbraw/zinc/02/47/30/196024730.db2.gz RQSOHDUBBUIMMF-OLZOCXBDSA-N 2 0 311.223 2.353 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379663992 424908112 /nfs/dbraw/zinc/90/81/12/424908112.db2.gz NGNAOSOFAYYEBA-RDJZCZTQSA-N 2 0 305.466 2.387 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379663990 424908136 /nfs/dbraw/zinc/90/81/36/424908136.db2.gz NGNAOSOFAYYEBA-NVXWUHKLSA-N 2 0 305.466 2.387 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382762965 424910660 /nfs/dbraw/zinc/91/06/60/424910660.db2.gz NATGOTAMMLDCFQ-ROUUACIJSA-N 2 0 317.477 2.340 10 0 DEAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000384327417 424910879 /nfs/dbraw/zinc/91/08/79/424910879.db2.gz XWVURJYZTVAFNS-JQHSSLGASA-N 2 0 315.461 2.013 10 0 DEAERP CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccccc1Br ZINC000311090519 424894652 /nfs/dbraw/zinc/89/46/52/424894652.db2.gz ICKJDSBQXRLEGG-RYUDHWBXSA-N 2 0 315.255 2.412 10 0 DEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000397517737 269106715 /nfs/dbraw/zinc/10/67/15/269106715.db2.gz STEMERCBZJLNCK-AEFFLSMTSA-N 2 0 318.461 2.171 10 0 DEAERP C[C@@H]1CSC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397507073 269106740 /nfs/dbraw/zinc/10/67/40/269106740.db2.gz JTRXPFAQPCTNGG-WBVHZDCISA-N 2 0 320.502 2.355 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262677424 278869025 /nfs/dbraw/zinc/86/90/25/278869025.db2.gz URVVEPZNDXXVJS-OIISXLGYSA-N 2 0 307.482 2.144 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105125271 279156919 /nfs/dbraw/zinc/15/69/19/279156919.db2.gz ZZQPUBVHQQBURH-SJORKVTESA-N 2 0 324.513 2.377 10 0 DEAERP c1cc(CN2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)ccn1 ZINC000574763850 326184933 /nfs/dbraw/zinc/18/49/33/326184933.db2.gz YJHAJNQTJFMZJR-UHFFFAOYSA-N 2 0 322.456 2.045 10 0 DEAERP CC(C)CCOCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915417 519665263 /nfs/dbraw/zinc/66/52/63/519665263.db2.gz FAPWEAUKXOAGQA-MRXNPFEDSA-N 2 0 300.487 2.074 10 0 DEAERP CCC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000132351806 520587509 /nfs/dbraw/zinc/58/75/09/520587509.db2.gz DYWGEDUIUJSNSU-INIZCTEOSA-N 2 0 309.429 2.104 10 0 DEAERP CCN(C(=O)C[C@H](C)[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261783629 535669593 /nfs/dbraw/zinc/66/95/93/535669593.db2.gz BOEMMJLWFXWMBU-ZOBUZTSGSA-N 2 0 303.450 2.408 10 0 DEAERP O=C(C[C@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000174018521 625681938 /nfs/dbraw/zinc/68/19/38/625681938.db2.gz UTKPCJVIRSRXPP-GOSISDBHSA-N 2 0 315.461 2.288 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000174011362 625683134 /nfs/dbraw/zinc/68/31/34/625683134.db2.gz ZDWHZPAQKSFWQI-WBVHZDCISA-N 2 0 303.450 2.185 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261545470 646981204 /nfs/dbraw/zinc/98/12/04/646981204.db2.gz KBSKPSJORUVOTR-DOTOQJQBSA-N 2 0 303.450 2.155 10 0 DEAERP Cc1cc(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(N)[nH+]1 ZINC000398134338 790248811 /nfs/dbraw/zinc/24/88/11/790248811.db2.gz UKGYQVLPGOLXIT-MRXNPFEDSA-N 2 0 313.449 2.188 10 0 DEAERP O[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716639005 792981964 /nfs/dbraw/zinc/98/19/64/792981964.db2.gz RENVAPBMPSSGPP-WZGPROSRSA-N 2 0 300.446 2.400 10 0 DEAERP CO[C@@H](C)[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717983304 1081854701 /nfs/dbraw/zinc/85/47/01/1081854701.db2.gz HZBDMEYBSFEPER-IRXDYDNUSA-N 2 0 320.477 2.417 10 0 DEAERP C[C@H]1OCC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717973326 1081861331 /nfs/dbraw/zinc/86/13/31/1081861331.db2.gz HRRKBTBNSLBCDS-AEFFLSMTSA-N 2 0 318.461 2.171 10 0 DEAERP CC[NH+]1CCC([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000701868446 1086388118 /nfs/dbraw/zinc/38/81/18/1086388118.db2.gz RZIZMQKFVFQWBM-UHFFFAOYSA-N 2 0 323.481 2.460 10 0 DEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000702050438 1086401332 /nfs/dbraw/zinc/40/13/32/1086401332.db2.gz XXQDEUQNPIXXBK-YZGWKJHDSA-N 3 0 313.489 2.440 10 0 DEAERP CN(Cc1ccc(N)nn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000703917451 1086568032 /nfs/dbraw/zinc/56/80/32/1086568032.db2.gz SJLJJHNTSAYVAI-MRXNPFEDSA-N 2 0 311.433 2.013 10 0 DEAERP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711250975 1087036078 /nfs/dbraw/zinc/03/60/78/1087036078.db2.gz OSNPMDRUGFTVEL-SJORKVTESA-N 2 0 315.461 2.013 10 0 DEAERP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000720249104 1089537500 /nfs/dbraw/zinc/53/75/00/1089537500.db2.gz KPNFCMVULAVUFF-ZJUUUORDSA-N 2 0 302.287 2.375 10 0 DEAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170855494 282199306 /nfs/dbraw/zinc/19/93/06/282199306.db2.gz HVMBEFWYHAZBJH-ZWKOTPCHSA-N 2 0 315.461 2.061 10 0 DEAERP C[N@H+](Cc1ccc(Br)cc1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606691 185306378 /nfs/dbraw/zinc/30/63/78/185306378.db2.gz JNHFOMPYSYEHHB-UONOGXRCSA-N 2 0 313.239 2.245 10 0 DEAERP C[NH2+][C@H](Cc1c[nH+]ccc1N)c1ccc(Br)cn1 ZINC000140217327 186026306 /nfs/dbraw/zinc/02/63/06/186026306.db2.gz SUPYVDDLSGOBDD-CYBMUJFWSA-N 2 0 307.195 2.325 10 0 DEAERP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])CCSC)[NH+]1CCCC1 ZINC000164388703 186158053 /nfs/dbraw/zinc/15/80/53/186158053.db2.gz SQBAFFZUESDSRJ-GJZGRUSLSA-N 2 0 315.527 2.084 10 0 DEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173920131 198269833 /nfs/dbraw/zinc/26/98/33/198269833.db2.gz HEMLEEYPVRFBFD-CQSZACIVSA-N 2 0 300.406 2.390 10 0 DEAERP CC[NH+]1CCN(CCC[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182075136 199383494 /nfs/dbraw/zinc/38/34/94/199383494.db2.gz UZFCPENUVYHULS-SFHVURJKSA-N 2 0 303.494 2.482 10 0 DEAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000174128681 198295302 /nfs/dbraw/zinc/29/53/02/198295302.db2.gz ATCRNCJOTVFHKN-ROUUACIJSA-N 2 0 317.477 2.102 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000073652883 191337339 /nfs/dbraw/zinc/33/73/39/191337339.db2.gz JFHWTKHAWDEQFF-HNNXBMFYSA-N 2 0 312.502 2.138 10 0 DEAERP OC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000169782456 355982571 /nfs/dbraw/zinc/98/25/71/355982571.db2.gz LLGALHSVMASNGU-QGZVFWFLSA-N 2 0 315.461 2.140 10 0 DEAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182830795 356147776 /nfs/dbraw/zinc/14/77/76/356147776.db2.gz VDJCQYIHZJPOCQ-HZPDHXFCSA-N 2 0 316.511 2.054 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262253088 356341199 /nfs/dbraw/zinc/34/11/99/356341199.db2.gz DRBGNGBECQFVTQ-YVSFHVDLSA-N 2 0 309.498 2.378 10 0 DEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399548404 283153404 /nfs/dbraw/zinc/15/34/04/283153404.db2.gz BJLQOIJCTRWXBC-HLLBOEOZSA-N 2 0 305.466 2.243 10 0 DEAERP C[NH+](C)[C@@H]1CCCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000091394166 193049942 /nfs/dbraw/zinc/04/99/42/193049942.db2.gz TZAVXMRZPPLDBN-ROKHWSDSSA-N 2 0 307.404 2.462 10 0 DEAERP C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000091392536 193049946 /nfs/dbraw/zinc/04/99/46/193049946.db2.gz QLBLSRSAPNLIPK-MNOVXSKESA-N 2 0 316.243 2.068 10 0 DEAERP CSC1(C[NH3+])CC[NH+](CC(=O)Nc2cccc(C)c2)CC1 ZINC000091476939 193062598 /nfs/dbraw/zinc/06/25/98/193062598.db2.gz RHHGWJAGXLZKAG-UHFFFAOYSA-N 2 0 307.463 2.090 10 0 DEAERP COc1ccc(Cl)cc1C[C@H]([NH3+])[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720256 193097326 /nfs/dbraw/zinc/09/73/26/193097326.db2.gz YTPZWOCGMVCIEA-IJEWVQPXSA-N 2 0 310.825 2.082 10 0 DEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000091873057 193120816 /nfs/dbraw/zinc/12/08/16/193120816.db2.gz QQEPZMYYXIXLQA-UHFFFAOYSA-N 2 0 310.829 2.136 10 0 DEAERP CC[NH2+][C@H]1CCC[C@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093554555 193267076 /nfs/dbraw/zinc/26/70/76/193267076.db2.gz TXDOBADITRKTMJ-KBPBESRZSA-N 2 0 307.404 2.335 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+](CC)[C@@H](C)COC ZINC000093617276 193275423 /nfs/dbraw/zinc/27/54/23/193275423.db2.gz QUNBGNQPGOONEB-BBWFWOEESA-N 2 0 300.487 2.264 10 0 DEAERP CCC[NH2+][C@@]1(CO)CCC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093782960 193307173 /nfs/dbraw/zinc/30/71/73/193307173.db2.gz XGYWVPLAKISYGJ-IRXDYDNUSA-N 2 0 300.487 2.264 10 0 DEAERP CC[C@H](C)[N@H+](CCOC)[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093783254 193307875 /nfs/dbraw/zinc/30/78/75/193307875.db2.gz UYBHYYNFVQIPQS-GVDBMIGSSA-N 2 0 300.487 2.405 10 0 DEAERP C[NH+](C)C(C)(C)COc1ncc(Br)cc1C[NH3+] ZINC000093955339 193332388 /nfs/dbraw/zinc/33/23/88/193332388.db2.gz JERVKPOHHAIZPQ-UHFFFAOYSA-N 2 0 302.216 2.022 10 0 DEAERP CCC[NH2+]CC1CC[NH+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644245 193389363 /nfs/dbraw/zinc/38/93/63/193389363.db2.gz SMARNZWVVMWLNM-CVEARBPZSA-N 2 0 316.511 2.054 10 0 DEAERP CC[NH+]1CCN([C@H](C[NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000020562779 182232499 /nfs/dbraw/zinc/23/24/99/182232499.db2.gz RZNHMMJOBPBPGJ-CQSZACIVSA-N 2 0 301.356 2.343 10 0 DEAERP C[NH+]1CCC(Oc2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)CC1 ZINC000041019241 183157009 /nfs/dbraw/zinc/15/70/09/183157009.db2.gz NLPOCQQUFQGLMX-UHFFFAOYSA-N 2 0 301.312 2.462 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1C[NH2+]C(C)(C)C ZINC000159761533 197362724 /nfs/dbraw/zinc/36/27/24/197362724.db2.gz WLGJAHYIWKIGRF-UHFFFAOYSA-N 2 0 303.248 2.095 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183730663 296311822 /nfs/dbraw/zinc/31/18/22/296311822.db2.gz HQQKKJJKUFXMMA-MRXNPFEDSA-N 2 0 324.513 2.282 10 0 DEAERP CC[C@H]1CN(c2cc(Br)ccc2C[NH3+])CC[N@@H+]1C ZINC000110730707 194355167 /nfs/dbraw/zinc/35/51/67/194355167.db2.gz HVYMNMPSSCLVLN-ZDUSSCGKSA-N 2 0 312.255 2.438 10 0 DEAERP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000158036241 197238422 /nfs/dbraw/zinc/23/84/22/197238422.db2.gz OXXMIINQRIGXRM-CHWSQXEVSA-N 2 0 304.463 2.371 10 0 DEAERP C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C(N)=[NH2+])C1 ZINC000062965901 184262766 /nfs/dbraw/zinc/26/27/66/184262766.db2.gz LNQVVRRQCIYWAJ-SNVBAGLBSA-N 2 0 300.328 2.130 10 0 DEAERP C[NH2+][C@H]1CCCc2nc(N3CC[C@H]([NH+]4CCCC4)C3)sc21 ZINC000062975182 184263651 /nfs/dbraw/zinc/26/36/51/184263651.db2.gz XBZHSLJKVMJECR-STQMWFEESA-N 2 0 306.479 2.414 10 0 DEAERP CCC[NH2+][C@@H](CC[NH+](C)C)Cc1c(Cl)c(CC)nn1C ZINC000158724261 197297095 /nfs/dbraw/zinc/29/70/95/197297095.db2.gz PDTUQHXGFGSXLF-LBPRGKRZSA-N 2 0 300.878 2.498 10 0 DEAERP O=C1NCCCC[C@@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000120292842 195136694 /nfs/dbraw/zinc/13/66/94/195136694.db2.gz FCSVBJRQOCPEDF-KRWDZBQOSA-N 2 0 307.482 2.243 10 0 DEAERP CC(C)(C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121661713 195326066 /nfs/dbraw/zinc/32/60/66/195326066.db2.gz XXNIKLDEEIITDN-UHFFFAOYSA-N 2 0 309.498 2.489 10 0 DEAERP C[NH2+]Cc1cccc(Br)c1OCCC[NH+](C)C ZINC000122008125 195388766 /nfs/dbraw/zinc/38/87/66/195388766.db2.gz LPQLJTRYNHOTRS-UHFFFAOYSA-N 2 0 301.228 2.499 10 0 DEAERP CC[NH2+][C@H](c1c(Cl)cnn1CC[NH+](C)C)[C@H]1CO[C@@H](C)C1 ZINC000125630873 195770924 /nfs/dbraw/zinc/77/09/24/195770924.db2.gz KBUBFGNFTMDXJK-SCRDCRAPSA-N 2 0 314.861 2.174 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000360416878 133180712 /nfs/dbraw/zinc/18/07/12/133180712.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 2 0 311.514 2.055 10 0 DEAERP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703252 133246467 /nfs/dbraw/zinc/24/64/67/133246467.db2.gz PSHRBWKSGOPLCS-IEBWSBKVSA-N 2 0 301.478 2.187 10 0 DEAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246209727 145094871 /nfs/dbraw/zinc/09/48/71/145094871.db2.gz FTGWSRDQZZSSLS-RCCFBDPRSA-N 2 0 315.461 2.285 10 0 DEAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248654628 145163486 /nfs/dbraw/zinc/16/34/86/145163486.db2.gz PPNNXKQBQLRZQZ-CGTJXYLNSA-N 2 0 310.482 2.113 10 0 DEAERP C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000249120783 145179679 /nfs/dbraw/zinc/17/96/79/145179679.db2.gz POSBJYAAOPIRNN-YSVLISHTSA-N 2 0 301.434 2.066 10 0 DEAERP CCC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249824201 145191062 /nfs/dbraw/zinc/19/10/62/145191062.db2.gz IVNTTZAYVMZKIA-RDJZCZTQSA-N 2 0 303.450 2.107 10 0 DEAERP CCN(Cc1ccccc1)C(=O)CN1CCCC[C@H]1CC[NH3+] ZINC000261547387 145207218 /nfs/dbraw/zinc/20/72/18/145207218.db2.gz MHHPMNQIHMHTGD-KRWDZBQOSA-N 2 0 303.450 2.238 10 0 DEAERP CC1(C)C[N@H+](Cc2ccccc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000261608110 145209819 /nfs/dbraw/zinc/20/98/19/145209819.db2.gz BNOMZFKFNRYABV-QGZVFWFLSA-N 2 0 303.450 2.082 10 0 DEAERP COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261741398 145222162 /nfs/dbraw/zinc/22/21/62/145222162.db2.gz PFKJBAUDFMGMSQ-OAHLLOKOSA-N 2 0 305.422 2.083 10 0 DEAERP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261737710 145222310 /nfs/dbraw/zinc/22/23/10/145222310.db2.gz NOPMZISFPMQXFC-OAHLLOKOSA-N 2 0 317.477 2.409 10 0 DEAERP C[C@@]1(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000261769015 145224077 /nfs/dbraw/zinc/22/40/77/145224077.db2.gz MJJYWDNVOSZXGA-GOSISDBHSA-N 2 0 302.462 2.303 10 0 DEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261962793 145247978 /nfs/dbraw/zinc/24/79/78/145247978.db2.gz PSBSHNKOCUNRSM-BRSBDYLESA-N 3 0 323.525 2.244 10 0 DEAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000262442205 145284601 /nfs/dbraw/zinc/28/46/01/145284601.db2.gz YEUCGGDKRZFWDI-KSZLIROESA-N 2 0 321.509 2.345 10 0 DEAERP [NH3+]Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000263073624 145322522 /nfs/dbraw/zinc/32/25/22/145322522.db2.gz ZZHBZKFKJITNBH-ONGXEEELSA-N 2 0 301.312 2.230 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000073952731 401725752 /nfs/dbraw/zinc/72/57/52/401725752.db2.gz IADKKTFFJPPPRA-QGZVFWFLSA-N 2 0 324.513 2.234 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048215931 401996091 /nfs/dbraw/zinc/99/60/91/401996091.db2.gz RRFYQRNKAXHZHU-WBVHZDCISA-N 2 0 320.481 2.319 10 0 DEAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000093286840 402013573 /nfs/dbraw/zinc/01/35/73/402013573.db2.gz MWLYAIFBTRAMNH-GXTWGEPZSA-N 2 0 310.486 2.078 10 0 DEAERP CC[C@@H](COC)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000151941351 402066849 /nfs/dbraw/zinc/06/68/49/402066849.db2.gz XZZBNAUQAUZKCB-RBUKOAKNSA-N 2 0 320.477 2.447 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000098030401 402134850 /nfs/dbraw/zinc/13/48/50/402134850.db2.gz DYZAAJFZCSHGSS-HRCADAONSA-N 2 0 312.502 2.136 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C)c2)[C@H](C)C1 ZINC000125782080 402249819 /nfs/dbraw/zinc/24/98/19/402249819.db2.gz NXEJOYADSBKPSV-AOIWGVFYSA-N 2 0 320.477 2.397 10 0 DEAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000158332398 402304636 /nfs/dbraw/zinc/30/46/36/402304636.db2.gz RCEDYLCIHRZSPW-HOCLYGCPSA-N 2 0 324.513 2.277 10 0 DEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C2)CC1 ZINC000236625196 402369556 /nfs/dbraw/zinc/36/95/56/402369556.db2.gz FLLBMNFQFQXMLZ-GVDBMIGSSA-N 2 0 307.482 2.084 10 0 DEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237683629 402417930 /nfs/dbraw/zinc/41/79/30/402417930.db2.gz SZHZDJJEMNNOQC-COZGXFGHSA-N 2 0 321.509 2.390 10 0 DEAERP [NH3+][C@H]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000164725973 402468009 /nfs/dbraw/zinc/46/80/09/402468009.db2.gz SXENROIYMSPDLP-SJORKVTESA-N 2 0 301.434 2.026 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000165865568 402479519 /nfs/dbraw/zinc/47/95/19/402479519.db2.gz NSPVZUABSQGRGM-NVXWUHKLSA-N 2 0 309.498 2.250 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247280234 402562058 /nfs/dbraw/zinc/56/20/58/402562058.db2.gz KHEOIAXAVSPVJB-AKBNIOSXSA-N 2 0 322.497 2.030 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000179517198 402593213 /nfs/dbraw/zinc/59/32/13/402593213.db2.gz PTPGBEDAEOYPAT-CQSZACIVSA-N 2 0 322.497 2.232 10 0 DEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172608198 402666119 /nfs/dbraw/zinc/66/61/19/402666119.db2.gz ZEEFEJRALYSKEX-KRWDZBQOSA-N 2 0 322.497 2.132 10 0 DEAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262672371 402729570 /nfs/dbraw/zinc/72/95/70/402729570.db2.gz PHOKPSAWWDVGER-NXOAAHMSSA-N 2 0 307.482 2.240 10 0 DEAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262984716 402739750 /nfs/dbraw/zinc/73/97/50/402739750.db2.gz MZATZJGFKRMBNK-FUHWJXTLSA-N 2 0 307.482 2.228 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)CCC1 ZINC000175005733 402770808 /nfs/dbraw/zinc/77/08/08/402770808.db2.gz OYDDSPHILNQRGO-INIZCTEOSA-N 2 0 324.513 2.234 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000193868715 402776979 /nfs/dbraw/zinc/77/69/79/402776979.db2.gz YSIBQJRRQRJERC-JKSUJKDBSA-N 2 0 324.513 2.280 10 0 DEAERP C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000175809677 402834674 /nfs/dbraw/zinc/83/46/74/402834674.db2.gz HFBWPVRERVVNHQ-NVXWUHKLSA-N 2 0 319.493 2.252 10 0 DEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000175959915 402844940 /nfs/dbraw/zinc/84/49/40/402844940.db2.gz FMWRZEGANACEQU-WBVHZDCISA-N 2 0 324.513 2.233 10 0 DEAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000184468879 402845533 /nfs/dbraw/zinc/84/55/33/402845533.db2.gz JGYSOZDBWGPERG-MRXNPFEDSA-N 2 0 312.502 2.234 10 0 DEAERP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccccc1 ZINC000333559164 403780236 /nfs/dbraw/zinc/78/02/36/403780236.db2.gz KPHOOXOTIZNUHT-VQHPVUNQSA-N 2 0 316.449 2.001 10 0 DEAERP C(CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374077158 404686870 /nfs/dbraw/zinc/68/68/70/404686870.db2.gz CGKOMKZMJKSLJY-USTZCAOPSA-N 2 0 308.466 2.273 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000389875882 405041022 /nfs/dbraw/zinc/04/10/22/405041022.db2.gz LRGIZRPCXBEQSR-LMSBXDPUSA-N 2 0 315.461 2.011 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638836167 405704200 /nfs/dbraw/zinc/70/42/00/405704200.db2.gz QXYDUWYRZNTNQW-KBAYOESNSA-N 2 0 317.477 2.244 10 0 DEAERP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000639474502 406104697 /nfs/dbraw/zinc/10/46/97/406104697.db2.gz OROAEFNVHVSVMW-DLBZAZTESA-N 2 0 317.481 2.353 10 0 DEAERP c1nc2n(n1)[C@H](C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)CC2 ZINC000639547959 406140073 /nfs/dbraw/zinc/14/00/73/406140073.db2.gz ZLKNNNURTXRJOL-KRWDZBQOSA-N 2 0 317.481 2.353 10 0 DEAERP c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2c(c1)COCC2 ZINC000635013674 406400242 /nfs/dbraw/zinc/40/02/42/406400242.db2.gz UWLCBAKWZFNYEQ-GUDVDZBRSA-N 2 0 316.445 2.006 10 0 DEAERP CN(C(=O)CCC1C[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638100738 406570374 /nfs/dbraw/zinc/57/03/74/406570374.db2.gz NCPSHQQJTGNXEA-UHFFFAOYSA-N 2 0 315.461 2.109 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638119771 406580908 /nfs/dbraw/zinc/58/09/08/406580908.db2.gz VTAQFYFIKLUILD-JLSDUUJJSA-N 2 0 313.445 2.061 10 0 DEAERP [NH3+]C1CCN([C@@H]2CC[N@H+](CCSc3ccccc3)C2)CC1 ZINC000130807081 196111894 /nfs/dbraw/zinc/11/18/94/196111894.db2.gz UOWYJZUQEGBWCT-MRXNPFEDSA-N 2 0 305.491 2.276 10 0 DEAERP c1cc2c(cccc2CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[nH]1 ZINC000423117349 230357023 /nfs/dbraw/zinc/35/70/23/230357023.db2.gz VBBQTFDNJUHDHA-BHIYHBOVSA-N 2 0 313.445 2.457 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)CC(C)C ZINC000195125314 424880230 /nfs/dbraw/zinc/88/02/30/424880230.db2.gz IEPHGTSYGUVWQW-HOTGVXAUSA-N 2 0 312.502 2.136 10 0 DEAERP CC1CCC(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333209774 268904726 /nfs/dbraw/zinc/90/47/26/268904726.db2.gz ZKBCPLGCIFKBPH-FLMHQWFMSA-N 2 0 307.482 2.049 10 0 DEAERP COC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173682851 274041690 /nfs/dbraw/zinc/04/16/90/274041690.db2.gz RBKBBVWGKBPLFT-APWZRJJASA-N 2 0 320.477 2.399 10 0 DEAERP COC[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174084679 274047952 /nfs/dbraw/zinc/04/79/52/274047952.db2.gz ZAUCBQSEHJOCPS-MAUKXSAKSA-N 2 0 306.450 2.057 10 0 DEAERP c1ccc(CNC2=[NH+]c3ncccc3N[C@]23CCC[NH2+]C3)cc1 ZINC000065265724 275067006 /nfs/dbraw/zinc/06/70/06/275067006.db2.gz NPLGOLBLSOTGDS-SFHVURJKSA-N 2 0 307.401 2.449 10 0 DEAERP CC(C)(CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000105081525 277300540 /nfs/dbraw/zinc/30/05/40/277300540.db2.gz XRMNWEAPYVEAOK-MRXNPFEDSA-N 2 0 322.497 2.131 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236790401 277385570 /nfs/dbraw/zinc/38/55/70/277385570.db2.gz URVVEPZNDXXVJS-PVAVHDDUSA-N 2 0 307.482 2.144 10 0 DEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000262378549 280252215 /nfs/dbraw/zinc/25/22/15/280252215.db2.gz LBJBBTWVRJVWAB-ULQDDVLXSA-N 2 0 309.498 2.247 10 0 DEAERP C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060818 533879069 /nfs/dbraw/zinc/87/90/69/533879069.db2.gz JBKMMODPVROYLZ-IPELMVKDSA-N 2 0 301.478 2.485 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103312641 519842457 /nfs/dbraw/zinc/84/24/57/519842457.db2.gz XULSKKRHBGFJSI-UHFFFAOYSA-N 2 0 324.513 2.140 10 0 DEAERP c1[nH]c(C[NH2+]CCCC[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000194240528 534460964 /nfs/dbraw/zinc/46/09/64/534460964.db2.gz ORYXGLAWUMKORN-UHFFFAOYSA-N 2 0 314.433 2.279 10 0 DEAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237953569 527359019 /nfs/dbraw/zinc/35/90/19/527359019.db2.gz DKLPEEQJKCOJKV-QZTJIDSGSA-N 2 0 315.461 2.416 10 0 DEAERP CC[C@@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000360468117 536024324 /nfs/dbraw/zinc/02/43/24/536024324.db2.gz UFNSNAQLMOTEJD-QFBILLFUSA-N 2 0 317.477 2.403 10 0 DEAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262672372 536403648 /nfs/dbraw/zinc/40/36/48/536403648.db2.gz PHOKPSAWWDVGER-QZWWFDLISA-N 2 0 307.482 2.240 10 0 DEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237153791 637291276 /nfs/dbraw/zinc/29/12/76/637291276.db2.gz UWQUUCRAKBBCME-IRXDYDNUSA-N 2 0 303.450 2.094 10 0 DEAERP O[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716638994 792982320 /nfs/dbraw/zinc/98/23/20/792982320.db2.gz RENVAPBMPSSGPP-NQYYFHDYSA-N 2 0 300.446 2.400 10 0 DEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000075334494 1080238782 /nfs/dbraw/zinc/23/87/82/1080238782.db2.gz NVCTVONVDGFOEO-SJORKVTESA-N 2 0 309.498 2.440 10 0 DEAERP C[C@@H]1COC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717948660 1081845465 /nfs/dbraw/zinc/84/54/65/1081845465.db2.gz FCJYFCJBTVTGRN-SJLPKXTDSA-N 2 0 318.461 2.028 10 0 DEAERP c1ccc(C[N@H+]2CC[C@H]3CN(CC45CC(C4)C[NH2+]5)C[C@H]3C2)cc1 ZINC000710664541 1086691558 /nfs/dbraw/zinc/69/15/58/1086691558.db2.gz ROKZCHHDOQNODW-FUFFSDJGSA-N 2 0 311.473 2.192 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000711344635 1087069913 /nfs/dbraw/zinc/06/99/13/1087069913.db2.gz JLASIKYYWMVSDW-HYVNUMGLSA-N 2 0 315.461 2.011 10 0 DEAERP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000090326723 185291171 /nfs/dbraw/zinc/29/11/71/185291171.db2.gz HJQIPUNMKZDGCN-JHJVBQTASA-N 2 0 307.825 2.208 10 0 DEAERP CN(C[C@H]1CCC[N@@H+]1C)c1cc(Br)ccc1C[NH3+] ZINC000092633060 185330499 /nfs/dbraw/zinc/33/04/99/185330499.db2.gz HVFKOFYUSRVFOS-CYBMUJFWSA-N 2 0 312.255 2.438 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193842391 282359101 /nfs/dbraw/zinc/35/91/01/282359101.db2.gz NOPWUAQWOCSBCZ-OAHLLOKOSA-N 2 0 324.513 2.423 10 0 DEAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000263107262 539789141 /nfs/dbraw/zinc/78/91/41/539789141.db2.gz ABCZATSQZJLDFR-DOMZBBRYSA-N 2 0 306.406 2.224 10 0 DEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155783805 186112626 /nfs/dbraw/zinc/11/26/26/186112626.db2.gz MGKRUQSEFZLKFH-HNNXBMFYSA-N 2 0 303.450 2.352 10 0 DEAERP [NH3+]C1CC[NH+]([C@H]2CCN(Cc3cc(Cl)ccc3F)C2)CC1 ZINC000163926632 186142923 /nfs/dbraw/zinc/14/29/23/186142923.db2.gz ZBAIORFJPDIPMP-HNNXBMFYSA-N 2 0 311.832 2.477 10 0 DEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)CC(C)C ZINC000171900003 198003533 /nfs/dbraw/zinc/00/35/33/198003533.db2.gz FCPRKSMDZKAHLZ-SJORKVTESA-N 2 0 324.513 2.233 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309678304 539878763 /nfs/dbraw/zinc/87/87/63/539878763.db2.gz YCLTYAZGPMXEEM-MOPGFXCFSA-N 3 0 319.493 2.242 10 0 DEAERP CN(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174221568 198308366 /nfs/dbraw/zinc/30/83/66/198308366.db2.gz VTJUYYSXAUWFPQ-HQSKLWIPSA-N 2 0 315.461 2.421 10 0 DEAERP OC[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC12CC[NH2+]CC2 ZINC000169782189 355983117 /nfs/dbraw/zinc/98/31/17/355983117.db2.gz LGGRECNOAGEKEK-ZDUSSCGKSA-N 2 0 312.816 2.273 10 0 DEAERP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179152434 356015572 /nfs/dbraw/zinc/01/55/72/356015572.db2.gz VGZVNMNPEHEAOQ-DLBZAZTESA-N 2 0 318.465 2.071 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000380963006 356670323 /nfs/dbraw/zinc/67/03/23/356670323.db2.gz XISQDLHXUVJMGA-JQHSSLGASA-N 2 0 306.450 2.025 10 0 DEAERP Cc1cc([C@H](C[NH3+])N(C)CC[NH+](C)C)ccc1Br ZINC000091471161 193060172 /nfs/dbraw/zinc/06/01/72/193060172.db2.gz DPTVGMSSFMEZBG-AWEZNQCLSA-N 2 0 314.271 2.251 10 0 DEAERP C[NH+]1CCC2(C[NH+]=C(N)N2c2ccc(Br)cc2)CC1 ZINC000093386628 193241594 /nfs/dbraw/zinc/24/15/94/193241594.db2.gz ZFNATRLWSZQHHC-UHFFFAOYSA-N 2 0 323.238 2.048 10 0 DEAERP CC1(C)CCC[C@@H](CN2CCN(c3nccs3)CC2)[C@H]1[NH3+] ZINC000094286291 193356052 /nfs/dbraw/zinc/35/60/52/193356052.db2.gz XCFAAELGNDBANB-UONOGXRCSA-N 2 0 308.495 2.419 10 0 DEAERP CC[C@H]1CN(c2nc(C(F)(F)F)ccc2C[NH3+])CC[N@@H+]1C ZINC000094334302 193360052 /nfs/dbraw/zinc/36/00/52/193360052.db2.gz VZOPEUBIPDCGRL-NSHDSACASA-N 2 0 302.344 2.090 10 0 DEAERP CC(=O)Nc1nc(C[N@@H+](CC2CC[NH2+]CC2)C(C)C)cs1 ZINC000094026124 193339971 /nfs/dbraw/zinc/33/99/71/193339971.db2.gz UCBVNXRIKDBHGF-UHFFFAOYSA-N 2 0 310.467 2.312 10 0 DEAERP CCC[NH2+][C@@H]1[C@H](C[N@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430073 193369198 /nfs/dbraw/zinc/36/91/98/193369198.db2.gz JXNUJKVLOXHSGV-UONOGXRCSA-N 2 0 300.487 2.261 10 0 DEAERP CC(C)CN(CC[NH+](C)C)[C@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489425 193374024 /nfs/dbraw/zinc/37/40/24/193374024.db2.gz NELNBYTXJFGQAY-MRXNPFEDSA-N 2 0 301.544 2.367 10 0 DEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000458462185 248320991 /nfs/dbraw/zinc/32/09/91/248320991.db2.gz PWXPIVIARGDAHO-KRWDZBQOSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@@H](c1ccc(Cl)s1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178414 184276637 /nfs/dbraw/zinc/27/66/37/184276637.db2.gz MSLJSGVCEZWHBI-QWRGUYRKSA-N 2 0 315.870 2.249 10 0 DEAERP NC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000159220507 197337367 /nfs/dbraw/zinc/33/73/67/197337367.db2.gz MAIGOOKGQMITFI-KRWDZBQOSA-N 2 0 322.497 2.164 10 0 DEAERP CC(C)[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](C)CCOC(C)C ZINC000157771871 197215203 /nfs/dbraw/zinc/21/52/03/197215203.db2.gz CYVYITHVTSVHBH-IRXDYDNUSA-N 2 0 300.487 2.263 10 0 DEAERP CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c(C)c2C(N)=S)C1 ZINC000156677181 197133436 /nfs/dbraw/zinc/13/34/36/197133436.db2.gz ZKHFWCUKTATXRI-ZDUSSCGKSA-N 2 0 306.479 2.253 10 0 DEAERP Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(C(N)=S)c(C)[nH+]1 ZINC000156677474 197133183 /nfs/dbraw/zinc/13/31/83/197133183.db2.gz RBJCTILJTZIXTI-CYBMUJFWSA-N 2 0 304.463 2.007 10 0 DEAERP Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)c(C(N)=S)c(C)[nH+]1 ZINC000156675257 197132155 /nfs/dbraw/zinc/13/21/55/197132155.db2.gz AQRKJERKEALMRL-LLVKDONJSA-N 2 0 306.479 2.476 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000358182422 133126577 /nfs/dbraw/zinc/12/65/77/133126577.db2.gz DCKPNAZGJGRUEI-DLBZAZTESA-N 2 0 322.497 2.058 10 0 DEAERP C[C@@H]1CCC[C@](CNC(=O)CC2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000362605753 133241566 /nfs/dbraw/zinc/24/15/66/133241566.db2.gz IIMSQWMJLZMZPI-QAPCUYQASA-N 2 0 309.498 2.345 10 0 DEAERP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCN2C)c2ccccc2C1 ZINC000376537932 133299437 /nfs/dbraw/zinc/29/94/37/133299437.db2.gz GHJDEKCJTFDYCV-WMZOPIPTSA-N 2 0 301.434 2.164 10 0 DEAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Cl)C[C@@H]2C1 ZINC000193610227 145087652 /nfs/dbraw/zinc/08/76/52/145087652.db2.gz HVIAIZYHQKZDPR-BETUJISGSA-N 2 0 307.825 2.162 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000247158256 145127338 /nfs/dbraw/zinc/12/73/38/145127338.db2.gz KHKNTPSEUBRADF-JKSUJKDBSA-N 2 0 312.502 2.280 10 0 DEAERP C[N@@H+]1CCC[C@H]2CN(Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802503 145200425 /nfs/dbraw/zinc/20/04/25/145200425.db2.gz MQNBGWQCAGTPSE-DOTOQJQBSA-N 2 0 311.433 2.388 10 0 DEAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000261551454 145206745 /nfs/dbraw/zinc/20/67/45/145206745.db2.gz QPQDDHWWERPXTB-UHFFFAOYSA-N 2 0 317.477 2.357 10 0 DEAERP C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261560404 145208124 /nfs/dbraw/zinc/20/81/24/145208124.db2.gz ZWTVZXGDPXHJSV-HPBDAGMYSA-N 2 0 315.461 2.141 10 0 DEAERP Cn1ccnc1C[N@H+](C[C@H]1CCSC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261948714 145245605 /nfs/dbraw/zinc/24/56/05/145245605.db2.gz NQLXXYDOIZOAFD-CABCVRRESA-N 2 0 320.506 2.117 10 0 DEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261962798 145248029 /nfs/dbraw/zinc/24/80/29/145248029.db2.gz PSBSHNKOCUNRSM-XDNAFOTISA-N 3 0 323.525 2.244 10 0 DEAERP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258095 /nfs/dbraw/zinc/25/80/95/145258095.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 2 0 322.522 2.205 10 0 DEAERP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1c1cccc(F)c1 ZINC000262091623 145260257 /nfs/dbraw/zinc/26/02/57/145260257.db2.gz LMKVFBRXSCSWHS-RDTXWAMCSA-N 2 0 319.424 2.031 10 0 DEAERP C[C@H]1C[C@@H](C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000262361395 145279118 /nfs/dbraw/zinc/27/91/18/145279118.db2.gz KJFMCBYABJLNIR-ONGXEEELSA-N 2 0 315.339 2.491 10 0 DEAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262462626 145286066 /nfs/dbraw/zinc/28/60/66/145286066.db2.gz WAMHDMXKZYHQRA-RDJZCZTQSA-N 2 0 309.498 2.249 10 0 DEAERP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000370763214 148053931 /nfs/dbraw/zinc/05/39/31/148053931.db2.gz HBLJMKFFOJRCMX-OKZBNKHCSA-N 2 0 315.461 2.142 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116529134 401854418 /nfs/dbraw/zinc/85/44/18/401854418.db2.gz AZOBBVDGQVNCSY-LSDHHAIUSA-N 2 0 314.518 2.382 10 0 DEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119094198 401925270 /nfs/dbraw/zinc/92/52/70/401925270.db2.gz MPJCYPSCVNETCH-AQFXKWCLSA-N 2 0 324.513 2.090 10 0 DEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119137685 401928504 /nfs/dbraw/zinc/92/85/04/401928504.db2.gz NZIVBCQTMQYOHM-CGZBRXJRSA-N 2 0 324.513 2.090 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000034532558 401893119 /nfs/dbraw/zinc/89/31/19/401893119.db2.gz YGBZVBILLZITTB-MSOLQXFVSA-N 2 0 315.461 2.252 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000121082584 402013913 /nfs/dbraw/zinc/01/39/13/402013913.db2.gz FLLCKASCHDJIRJ-ZDUSSCGKSA-N 2 0 312.404 2.489 10 0 DEAERP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000123245315 402117757 /nfs/dbraw/zinc/11/77/57/402117757.db2.gz YYUSDMJJOANNJV-YOEHRIQHSA-N 2 0 303.450 2.303 10 0 DEAERP C[C@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000122147663 402063682 /nfs/dbraw/zinc/06/36/82/402063682.db2.gz LFUKBRIIUKSAAX-LBDPXKHJSA-N 2 0 322.497 2.031 10 0 DEAERP C[C@@H]1C[NH+](CC2CCN(CCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000153461839 402147099 /nfs/dbraw/zinc/14/70/99/402147099.db2.gz KWXZJKIPNUPQJE-QZTJIDSGSA-N 2 0 323.525 2.294 10 0 DEAERP c1ccc2c(c1)C=C(C[NH2+]CCCC[NH+]1CCOCC1)CO2 ZINC000102422752 402166807 /nfs/dbraw/zinc/16/68/07/402166807.db2.gz JMDYEVZGWYGVRA-UHFFFAOYSA-N 2 0 302.418 2.164 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000176331927 402300582 /nfs/dbraw/zinc/30/05/82/402300582.db2.gz KGDFCSPPYOOFSY-IRXDYDNUSA-N 2 0 324.513 2.233 10 0 DEAERP C[N@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CCCC1 ZINC000176476763 402312987 /nfs/dbraw/zinc/31/29/87/402312987.db2.gz ZIYVNRKCZOWGJE-ZXFUBFMLSA-N 2 0 322.497 2.175 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237489568 402410112 /nfs/dbraw/zinc/41/01/12/402410112.db2.gz IUJZDQAGMBEBFJ-NRKLIOEPSA-N 2 0 307.482 2.144 10 0 DEAERP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186214241 402411357 /nfs/dbraw/zinc/41/13/57/402411357.db2.gz XXGIYPOXGMHVJK-SJORKVTESA-N 2 0 310.482 2.425 10 0 DEAERP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186214260 402411592 /nfs/dbraw/zinc/41/15/92/402411592.db2.gz XXGIYPOXGMHVJK-IRXDYDNUSA-N 2 0 310.482 2.425 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C12CCOCC2 ZINC000186258777 402415350 /nfs/dbraw/zinc/41/53/50/402415350.db2.gz RLKOKSXXTOBOFH-IXDOHACOSA-N 2 0 310.482 2.282 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246962853 402550697 /nfs/dbraw/zinc/55/06/97/402550697.db2.gz JWLBDBMIPHLSKL-HUUCEWRRSA-N 2 0 312.502 2.136 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247482213 402568997 /nfs/dbraw/zinc/56/89/97/402568997.db2.gz STNDPNAHEWOQOP-PBHICJAKSA-N 2 0 301.434 2.057 10 0 DEAERP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000170829536 402530531 /nfs/dbraw/zinc/53/05/31/402530531.db2.gz CUPVABOXSIMKQD-IAGOWNOFSA-N 2 0 324.513 2.088 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C)C1 ZINC000248622437 402599448 /nfs/dbraw/zinc/59/94/48/402599448.db2.gz DFFUMKLGBDUUQF-HOTGVXAUSA-N 2 0 309.498 2.474 10 0 DEAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000249982129 402643680 /nfs/dbraw/zinc/64/36/80/402643680.db2.gz YSVWZOOCZYZVIT-QAPCUYQASA-N 2 0 306.450 2.015 10 0 DEAERP CC(C)Cn1ncnc1CN1CCC(Cc2nccn2C)CC1 ZINC000182755334 402714269 /nfs/dbraw/zinc/71/42/69/402714269.db2.gz SGIGNOXTEAGWKX-UHFFFAOYSA-N 2 0 316.453 2.122 10 0 DEAERP [NH3+][C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000172818441 402676984 /nfs/dbraw/zinc/67/69/84/402676984.db2.gz VAXUTRIYCWCYAY-JKSUJKDBSA-N 2 0 307.482 2.419 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182376047 402685110 /nfs/dbraw/zinc/68/51/10/402685110.db2.gz AVANSJHXFFACOW-BBWFWOEESA-N 2 0 324.513 2.088 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263304276 402756461 /nfs/dbraw/zinc/75/64/61/402756461.db2.gz XOWDTJPYYSUREB-OLZOCXBDSA-N 2 0 317.424 2.000 10 0 DEAERP C[C@H]1C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]1 ZINC000262358974 402725095 /nfs/dbraw/zinc/72/50/95/402725095.db2.gz IIBWFXMSFBIATE-SOUVJXGZSA-N 2 0 321.490 2.389 10 0 DEAERP CCCCCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736511 402813766 /nfs/dbraw/zinc/81/37/66/402813766.db2.gz NHRSEUHWQZYMHW-INIZCTEOSA-N 2 0 309.498 2.489 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175603744 402820627 /nfs/dbraw/zinc/82/06/27/402820627.db2.gz PGQAODHXFJTKLB-HNNXBMFYSA-N 2 0 324.513 2.423 10 0 DEAERP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516199 402849756 /nfs/dbraw/zinc/84/97/56/402849756.db2.gz OTRKVVRORDNKHV-HUUCEWRRSA-N 2 0 304.438 2.039 10 0 DEAERP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333940271 403901672 /nfs/dbraw/zinc/90/16/72/403901672.db2.gz NXBNOYKBWNJDQO-KRWDZBQOSA-N 2 0 322.497 2.082 10 0 DEAERP CC(C)OC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724289 406248922 /nfs/dbraw/zinc/24/89/22/406248922.db2.gz NIFKNXAJBWHOMZ-YTQUADARSA-N 2 0 320.477 2.130 10 0 DEAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635010082 406397972 /nfs/dbraw/zinc/39/79/72/406397972.db2.gz YAUDMCAKXCOOJF-QNDJGXFYSA-N 2 0 315.461 2.333 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCC1CC1 ZINC000525302086 406483466 /nfs/dbraw/zinc/48/34/66/406483466.db2.gz MAASISONIBQAKI-KRWDZBQOSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@H](CCNC(=O)CCC1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000638132717 406587806 /nfs/dbraw/zinc/58/78/06/406587806.db2.gz SDCPEJVBBCXXCS-OAHLLOKOSA-N 2 0 303.450 2.013 10 0 DEAERP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000638300411 406683268 /nfs/dbraw/zinc/68/32/68/406683268.db2.gz FORDJWKEZUQISA-NVXWUHKLSA-N 2 0 305.466 2.387 10 0 DEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000130518850 196086500 /nfs/dbraw/zinc/08/65/00/196086500.db2.gz FYGHOEIHJHURRL-RYUDHWBXSA-N 2 0 311.392 2.154 10 0 DEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000073649736 424843387 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C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659316702 425575495 /nfs/dbraw/zinc/57/54/95/425575495.db2.gz RIYNGQRMXXHZPW-HNNXBMFYSA-N 2 0 315.461 2.285 10 0 DEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333899670 269001867 /nfs/dbraw/zinc/00/18/67/269001867.db2.gz INLYUECIFBOKRO-HOTGVXAUSA-N 2 0 322.497 2.306 10 0 DEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000397517741 269106601 /nfs/dbraw/zinc/10/66/01/269106601.db2.gz STEMERCBZJLNCK-FUHWJXTLSA-N 2 0 318.461 2.171 10 0 DEAERP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737461 277540187 /nfs/dbraw/zinc/54/01/87/277540187.db2.gz RGLFFGBIBHJFOD-KRWDZBQOSA-N 2 0 321.509 2.441 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667826 279276012 /nfs/dbraw/zinc/27/60/12/279276012.db2.gz ZNZZSZNTLDZSLX-IRXDYDNUSA-N 2 0 307.482 2.338 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246332127 279293624 /nfs/dbraw/zinc/29/36/24/279293624.db2.gz BBKDFGDVBBBMQM-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[NH+]1CCC(C)CC1 ZINC000246269278 524444033 /nfs/dbraw/zinc/44/40/33/524444033.db2.gz LQMFWKKWONLZJM-TWMKSMIVSA-N 2 0 307.482 2.144 10 0 DEAERP C[C@H]([NH3+])CCC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248882282 524830896 /nfs/dbraw/zinc/83/08/96/524830896.db2.gz SNCZXFVBUKEZMF-CYJAXWMASA-N 2 0 317.477 2.387 10 0 DEAERP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248132199 535275924 /nfs/dbraw/zinc/27/59/24/535275924.db2.gz WSKJKHXLBXQSFU-HKUYNNGSSA-N 2 0 315.461 2.280 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C12CCOCC2 ZINC000249025516 535505820 /nfs/dbraw/zinc/50/58/20/535505820.db2.gz RLKOKSXXTOBOFH-YESZJQIVSA-N 2 0 310.482 2.282 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccs2)[C@@H](C)C1 ZINC000246290571 535769046 /nfs/dbraw/zinc/76/90/46/535769046.db2.gz CJLKGSWBWAUASG-KBPBESRZSA-N 2 0 309.479 2.188 10 0 DEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262393056 535819683 /nfs/dbraw/zinc/81/96/83/535819683.db2.gz PXMAFBMOUKUJRO-XHSDSOJGSA-N 2 0 309.498 2.391 10 0 DEAERP COC[C@H](C)C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000187820386 625436226 /nfs/dbraw/zinc/43/62/26/625436226.db2.gz GSJLWRLAUWOOJB-VQIMIIECSA-N 2 0 320.477 2.304 10 0 DEAERP CN(C(=O)CCCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309716426 625628736 /nfs/dbraw/zinc/62/87/36/625628736.db2.gz MAXXWRSCXHITFX-QGZVFWFLSA-N 2 0 303.450 2.238 10 0 DEAERP C[C@H](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@H+](C)Cc1ccccc1 ZINC000713419567 792221831 /nfs/dbraw/zinc/22/18/31/792221831.db2.gz DBUYWBNYZMJWMD-NWGLXNPWSA-N 2 0 315.461 2.141 10 0 DEAERP C[C@H]1OCC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717973334 1081861550 /nfs/dbraw/zinc/86/15/50/1081861550.db2.gz HRRKBTBNSLBCDS-SJLPKXTDSA-N 2 0 318.461 2.171 10 0 DEAERP C[NH+]1CCC(C)(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000710835461 1086689805 /nfs/dbraw/zinc/68/98/05/1086689805.db2.gz CELYWIKLDSGCNI-UHFFFAOYSA-N 2 0 311.470 2.175 10 0 DEAERP C[C@@H](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000711224119 1087022900 /nfs/dbraw/zinc/02/29/00/1087022900.db2.gz LFANVUKHMWTFKL-DOTOQJQBSA-N 2 0 317.477 2.259 10 0 DEAERP C[C@H](CCC[C@H](C)[NH3+])C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000087705844 185230659 /nfs/dbraw/zinc/23/06/59/185230659.db2.gz FVBDCPIVDDJEJH-KGLIPLIRSA-N 2 0 312.479 2.333 10 0 DEAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000087912730 185237334 /nfs/dbraw/zinc/23/73/34/185237334.db2.gz QIDIYJMTPMFASI-CQSZACIVSA-N 2 0 301.381 2.219 10 0 DEAERP [NH3+]Cc1ccc([C@H](O)C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000088417857 185249257 /nfs/dbraw/zinc/24/92/57/185249257.db2.gz SZGVYGZTCOFUFB-CQSZACIVSA-N 2 0 302.340 2.453 10 0 DEAERP C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC1CCOCC1 ZINC000625268371 365706373 /nfs/dbraw/zinc/70/63/73/365706373.db2.gz YFWLSARNKLHUIK-MAUKXSAKSA-N 2 0 308.466 2.131 10 0 DEAERP CC[NH2+][C@H]1COC[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000090495455 185298980 /nfs/dbraw/zinc/29/89/80/185298980.db2.gz UFGFISXXHRVWBB-ONGXEEELSA-N 2 0 319.268 2.225 10 0 DEAERP CC[NH+]1CCN(Cc2ccc(CNCc3cocn3)cc2)CC1 ZINC000192287438 282341276 /nfs/dbraw/zinc/34/12/76/282341276.db2.gz ZOMOEPROEGOLBH-UHFFFAOYSA-N 2 0 314.433 2.102 10 0 DEAERP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245853583 539759192 /nfs/dbraw/zinc/75/91/92/539759192.db2.gz GTCWQACTXLKZPW-IXDOHACOSA-N 2 0 312.498 2.263 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000152419169 186070613 /nfs/dbraw/zinc/07/06/13/186070613.db2.gz YSJAVPPKEXXTBQ-ZACQAIPSSA-N 2 0 324.513 2.088 10 0 DEAERP C[NH+]1CCN(CC[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000164460763 186159208 /nfs/dbraw/zinc/15/92/08/186159208.db2.gz CDAAOQMBIXNZNW-UHFFFAOYSA-N 2 0 307.825 2.423 10 0 DEAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303089417 539861141 /nfs/dbraw/zinc/86/11/41/539861141.db2.gz OSCUAAMTCAPRLS-ROUUACIJSA-N 2 0 315.461 2.157 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309684981 539878186 /nfs/dbraw/zinc/87/81/86/539878186.db2.gz BJLSUBUAPPPMGB-BPQIPLTHSA-N 2 0 317.477 2.387 10 0 DEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000174128669 198295486 /nfs/dbraw/zinc/29/54/86/198295486.db2.gz ATCRNCJOTVFHKN-MSOLQXFVSA-N 2 0 317.477 2.102 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073653913 191336471 /nfs/dbraw/zinc/33/64/71/191336471.db2.gz POMKOBAUCWGIMM-WZYMTQMTSA-N 2 0 310.486 2.031 10 0 DEAERP C[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1([C@@H]2CC[NH2+]C2)CC1 ZINC000140826170 355887291 /nfs/dbraw/zinc/88/72/91/355887291.db2.gz IGFAVUFQUWEVGQ-CQSZACIVSA-N 2 0 323.481 2.460 10 0 DEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236863082 202041384 /nfs/dbraw/zinc/04/13/84/202041384.db2.gz QQPKEOXROAHWCD-STQMWFEESA-N 2 0 323.403 2.237 10 0 DEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000607671310 361104297 /nfs/dbraw/zinc/10/42/97/361104297.db2.gz DDUZNMSMGSXPRH-YCPHGPKFSA-N 2 0 321.490 2.199 10 0 DEAERP c1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)n(-c2cc[nH+]cc2)n1 ZINC000623603154 365096566 /nfs/dbraw/zinc/09/65/66/365096566.db2.gz ONVIJGDUOOXWLC-IBGZPJMESA-N 2 0 320.396 2.498 10 0 DEAERP C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631844270 368421313 /nfs/dbraw/zinc/42/13/13/368421313.db2.gz WDHIKHNDPWZWOL-NEPJUHHUSA-N 2 0 313.239 2.355 10 0 DEAERP CCOCC[N@H+](CC)CC[C@@H]1CCC[C@@]1(CO)[NH2+]C(C)C ZINC000093597914 193272897 /nfs/dbraw/zinc/27/28/97/193272897.db2.gz UMFRGDLNFMMHSZ-IRXDYDNUSA-N 2 0 300.487 2.264 10 0 DEAERP CC1(C)CCC[C@H](CN2CCN(c3nccs3)CC2)[C@H]1[NH3+] ZINC000094286290 193355887 /nfs/dbraw/zinc/35/58/87/193355887.db2.gz XCFAAELGNDBANB-ZIAGYGMSSA-N 2 0 308.495 2.419 10 0 DEAERP CCC[NH2+][C@@H]1[C@H](C[N@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429261 193368442 /nfs/dbraw/zinc/36/84/42/193368442.db2.gz ORDQFFAOXYLHLO-LSDHHAIUSA-N 2 0 300.487 2.261 10 0 DEAERP CC[NH2+]Cc1sc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1CC ZINC000094444236 193369769 /nfs/dbraw/zinc/36/97/69/193369769.db2.gz IKDAGNSDBKWYDL-CYBMUJFWSA-N 2 0 308.495 2.490 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(C[NH2+]C2CC2)s1 ZINC000094444154 193370165 /nfs/dbraw/zinc/37/01/65/193370165.db2.gz XMDTUACIBZLGAH-TZMCWYRMSA-N 2 0 306.479 2.458 10 0 DEAERP COC1([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)CCOCC1 ZINC000453074898 244910655 /nfs/dbraw/zinc/91/06/55/244910655.db2.gz OUOUHWXAZSVBIJ-HNNXBMFYSA-N 2 0 306.450 2.422 10 0 DEAERP C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CC[NH+](C)C ZINC000111130503 194393763 /nfs/dbraw/zinc/39/37/63/194393763.db2.gz SHSXFDGHEZGJJV-BXKDBHETSA-N 2 0 320.300 2.392 10 0 DEAERP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062014407 184200898 /nfs/dbraw/zinc/20/08/98/184200898.db2.gz XTVQUJSDZUIXRZ-STQMWFEESA-N 2 0 309.841 2.153 10 0 DEAERP c1ccc(C[C@H]2CSC(N[C@@H]3C[NH+]4CCC3CC4)=[NH+]2)cc1 ZINC000063220249 184279527 /nfs/dbraw/zinc/27/95/27/184279527.db2.gz KCLIKTGYUCMWBH-JKSUJKDBSA-N 2 0 301.459 2.384 10 0 DEAERP CC(C)[NH2+]Cc1nc(CN(C)CC2CC[NH+](C)CC2)cs1 ZINC000063124095 184271814 /nfs/dbraw/zinc/27/18/14/184271814.db2.gz OBRFZQJOXLISMF-UHFFFAOYSA-N 2 0 310.511 2.415 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000157786935 197215420 /nfs/dbraw/zinc/21/54/20/197215420.db2.gz OEMAGKTVZIIIQX-MRXNPFEDSA-N 2 0 324.513 2.140 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](C)CCOC(C)C ZINC000157769399 197213324 /nfs/dbraw/zinc/21/33/24/197213324.db2.gz HWCFVOJTNIZMEU-IRXDYDNUSA-N 2 0 300.487 2.264 10 0 DEAERP CC[NH+]1CCC(CNc2cc(C)[nH+]c(C)c2C(N)=S)CC1 ZINC000156661568 197131658 /nfs/dbraw/zinc/13/16/58/197131658.db2.gz VMXTVVFHOVMIGF-UHFFFAOYSA-N 2 0 306.479 2.476 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107838129 285264959 /nfs/dbraw/zinc/26/49/59/285264959.db2.gz IOGDMYSUGLURDD-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CC4)CCO[C@H]3C2)n1 ZINC000503719029 257208660 /nfs/dbraw/zinc/20/86/60/257208660.db2.gz KMBPWVKZHIBCLG-MJGOQNOKSA-N 2 0 315.461 2.323 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000121628773 195320136 /nfs/dbraw/zinc/32/01/36/195320136.db2.gz ZNTBTEGBEREYJP-INIZCTEOSA-N 2 0 324.513 2.233 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1[C@@H]([NH3+])CC[C@H]1CCCO1 ZINC000125569475 195763930 /nfs/dbraw/zinc/76/39/30/195763930.db2.gz TUHSCFQFZKIHNO-YPMHNXCESA-N 2 0 300.834 2.057 10 0 DEAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000177743172 132529546 /nfs/dbraw/zinc/52/95/46/132529546.db2.gz VKXVRACAVQVOFJ-AYHJJNSGSA-N 2 0 319.493 2.242 10 0 DEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246704 133131161 /nfs/dbraw/zinc/13/11/61/133131161.db2.gz ZQIZZOGJZVIJHS-MOPGFXCFSA-N 2 0 323.525 2.365 10 0 DEAERP c1cc(CCC[NH2+]CCCC[NH+]2CCOCC2)cc2c1OCC2 ZINC000193270875 145084392 /nfs/dbraw/zinc/08/43/92/145084392.db2.gz YDOJSIWFNCXBRI-UHFFFAOYSA-N 2 0 318.461 2.256 10 0 DEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000248426650 145154609 /nfs/dbraw/zinc/15/46/09/145154609.db2.gz LNXQKCALERPWIO-HZPDHXFCSA-N 2 0 324.513 2.136 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000248747552 145166409 /nfs/dbraw/zinc/16/64/09/145166409.db2.gz UCJWMZFANCMDGM-YOEHRIQHSA-N 2 0 307.482 2.050 10 0 DEAERP C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)[C@H]([NH3+])c1ccccc1 ZINC000249120781 145179784 /nfs/dbraw/zinc/17/97/84/145179784.db2.gz POSBJYAAOPIRNN-LXZKKBNFSA-N 2 0 301.434 2.066 10 0 DEAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000261640117 145212887 /nfs/dbraw/zinc/21/28/87/145212887.db2.gz DUOOHXWMGTZETL-KBRIMQKVSA-N 2 0 309.417 2.180 10 0 DEAERP C[C@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000261764068 145224388 /nfs/dbraw/zinc/22/43/88/145224388.db2.gz QRCXFSYAPIXXRH-OLZOCXBDSA-N 2 0 319.424 2.436 10 0 DEAERP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261884030 145237854 /nfs/dbraw/zinc/23/78/54/145237854.db2.gz RMBPNZRELVVZHX-CRAIPNDOSA-N 2 0 304.434 2.297 10 0 DEAERP O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)ccc1OC1CCCC1 ZINC000262067602 145259064 /nfs/dbraw/zinc/25/90/64/145259064.db2.gz BKHTYEVVRWDOGE-XJKSGUPXSA-N 2 0 324.852 2.331 10 0 DEAERP CCn1c2ccccc2c2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)ccc21 ZINC000263222088 145337852 /nfs/dbraw/zinc/33/78/52/145337852.db2.gz LZZKCRXEXSQZSZ-QRWLVFNGSA-N 2 0 323.440 2.484 10 0 DEAERP COc1cccc([C@@H](C)[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000079464403 401873287 /nfs/dbraw/zinc/87/32/87/401873287.db2.gz JRFGCHLHSHTJFO-HZPDHXFCSA-N 2 0 304.434 2.410 10 0 DEAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000123612677 402137813 /nfs/dbraw/zinc/13/78/13/402137813.db2.gz FPIDIAAZWDFNRA-MRXNPFEDSA-N 2 0 300.487 2.216 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1 ZINC000234794760 402360591 /nfs/dbraw/zinc/36/05/91/402360591.db2.gz QTCNZTLCJYDDLS-ZDUSSCGKSA-N 2 0 301.228 2.293 10 0 DEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236709783 402376241 /nfs/dbraw/zinc/37/62/41/402376241.db2.gz PWWBMCWBSKZWEL-DLBZAZTESA-N 2 0 309.498 2.474 10 0 DEAERP CCC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[NH+](C)C ZINC000161802695 402399648 /nfs/dbraw/zinc/39/96/48/402399648.db2.gz SEGLHAHQSXSERL-SJORKVTESA-N 2 0 305.466 2.444 10 0 DEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237409332 402406921 /nfs/dbraw/zinc/40/69/21/402406921.db2.gz OKUHWZOWCQULCQ-HYVNUMGLSA-N 2 0 315.461 2.456 10 0 DEAERP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](CNc3ccccn3)C2)C1=O ZINC000177698540 402427637 /nfs/dbraw/zinc/42/76/37/402427637.db2.gz QYUYOEQUDYMLHW-HZPDHXFCSA-N 2 0 316.449 2.215 10 0 DEAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000178297163 402481307 /nfs/dbraw/zinc/48/13/07/402481307.db2.gz SGKSZHPPYAIYKG-MRXNPFEDSA-N 2 0 304.438 2.105 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nnc(C(C)C)n3C2)[C@H](C)C1 ZINC000245734802 402484279 /nfs/dbraw/zinc/48/42/79/402484279.db2.gz JVLCSKUGGZLCFM-ILXRZTDVSA-N 2 0 305.470 2.036 10 0 DEAERP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000168766477 402498588 /nfs/dbraw/zinc/49/85/88/402498588.db2.gz UURHDQQYGKSHMY-GJZGRUSLSA-N 2 0 319.449 2.473 10 0 DEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H](C)COC)CC1 ZINC000187676029 402507906 /nfs/dbraw/zinc/50/79/06/402507906.db2.gz QYODDIXBHIIDOC-QGZVFWFLSA-N 2 0 319.493 2.196 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246771407 402544208 /nfs/dbraw/zinc/54/42/08/402544208.db2.gz NUWNZLIYHIQAJI-SJORKVTESA-N 2 0 322.497 2.131 10 0 DEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246771394 402544320 /nfs/dbraw/zinc/54/43/20/402544320.db2.gz NUWNZLIYHIQAJI-IRXDYDNUSA-N 2 0 322.497 2.131 10 0 DEAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCNC1=O ZINC000179062611 402569192 /nfs/dbraw/zinc/56/91/92/402569192.db2.gz RCYYRSBMRXGORH-WMLDXEAASA-N 2 0 301.434 2.039 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246341737 402526341 /nfs/dbraw/zinc/52/63/41/402526341.db2.gz OVLLSFJPSVARLE-BZUAXINKSA-N 2 0 312.502 2.087 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178688096 402526443 /nfs/dbraw/zinc/52/64/43/402526443.db2.gz WAFOKBIQKUUCJH-IAGOWNOFSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170830037 402530292 /nfs/dbraw/zinc/53/02/92/402530292.db2.gz OTJRRYAHTMCVDH-BBWFWOEESA-N 2 0 324.513 2.090 10 0 DEAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731114 402532148 /nfs/dbraw/zinc/53/21/48/402532148.db2.gz IRCFJJKQBDAJMV-ROUUACIJSA-N 2 0 315.461 2.142 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000249748063 402640110 /nfs/dbraw/zinc/64/01/10/402640110.db2.gz AJMXIMNFPBYHDT-SJORKVTESA-N 2 0 324.513 2.282 10 0 DEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000249842735 402642316 /nfs/dbraw/zinc/64/23/16/402642316.db2.gz YHHCLRIYWKTISU-DLBZAZTESA-N 2 0 324.513 2.280 10 0 DEAERP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000173395663 402696007 /nfs/dbraw/zinc/69/60/07/402696007.db2.gz KNCKRNWPPUGNEL-JKSUJKDBSA-N 2 0 324.513 2.375 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000192522249 402734835 /nfs/dbraw/zinc/73/48/35/402734835.db2.gz PVCFEXXNCBWQAS-SFHVURJKSA-N 2 0 303.450 2.099 10 0 DEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000262263043 402723652 /nfs/dbraw/zinc/72/36/52/402723652.db2.gz GUGQQCFJNDQVLB-IXDOHACOSA-N 2 0 309.498 2.377 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000175438562 402806474 /nfs/dbraw/zinc/80/64/74/402806474.db2.gz QZMBZRNJGQCRPE-BRWVUGGUSA-N 2 0 307.482 2.336 10 0 DEAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000195196908 402835936 /nfs/dbraw/zinc/83/59/36/402835936.db2.gz PPNNXKQBQLRZQZ-KBAYOESNSA-N 2 0 310.482 2.113 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000333358960 403733482 /nfs/dbraw/zinc/73/34/82/403733482.db2.gz KUBZDLAYYJZTRV-OAGGEKHMSA-N 2 0 310.486 2.018 10 0 DEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333549403 403778086 /nfs/dbraw/zinc/77/80/86/403778086.db2.gz KBUFDSMGEUKCSS-WBVHZDCISA-N 2 0 322.497 2.225 10 0 DEAERP C(CC[NH+]1CCO[C@@H](C2CC2)C1)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000368793085 403860121 /nfs/dbraw/zinc/86/01/21/403860121.db2.gz RUVBOJKTPNZLIZ-RTBURBONSA-N 2 0 322.493 2.378 10 0 DEAERP COCC(C)(C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414520938 404666136 /nfs/dbraw/zinc/66/61/36/404666136.db2.gz DQHKLDYFFKXACF-UHFFFAOYSA-N 2 0 320.477 2.276 10 0 DEAERP COc1ccccc1CNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000376018931 404789126 /nfs/dbraw/zinc/78/91/26/404789126.db2.gz MDAIKJGNOOQIJW-UHFFFAOYSA-N 2 0 316.449 2.326 10 0 DEAERP CC[C@](C)(C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)OC ZINC000397560614 405059037 /nfs/dbraw/zinc/05/90/37/405059037.db2.gz VZHSMPXSLZGNAW-GOSISDBHSA-N 2 0 320.477 2.418 10 0 DEAERP CO[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000400128020 405063103 /nfs/dbraw/zinc/06/31/03/405063103.db2.gz PDGYJNQCEHOIJD-GOSISDBHSA-N 2 0 318.461 2.028 10 0 DEAERP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000436287252 405066713 /nfs/dbraw/zinc/06/67/13/405066713.db2.gz ISZJYPQYEDTOMW-LVQVYYBASA-N 2 0 310.388 2.398 10 0 DEAERP c1nnc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC000420364357 405333119 /nfs/dbraw/zinc/33/31/19/405333119.db2.gz QPLDKAXPOFIWAK-HUUCEWRRSA-N 2 0 303.454 2.182 10 0 DEAERP c1cncc(C[NH2+]CCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423184436 405713439 /nfs/dbraw/zinc/71/34/39/405713439.db2.gz IBUDWGCMUHWMKK-GUDVDZBRSA-N 2 0 316.493 2.462 10 0 DEAERP [NH3+]CCCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851525 405715010 /nfs/dbraw/zinc/71/50/10/405715010.db2.gz NPFQIAQXIGLKIM-QGZVFWFLSA-N 2 0 303.450 2.286 10 0 DEAERP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570918413 406455292 /nfs/dbraw/zinc/45/52/92/406455292.db2.gz IBRIRFVNDXTUMY-YTQUADARSA-N 2 0 301.478 2.486 10 0 DEAERP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000638081428 406560367 /nfs/dbraw/zinc/56/03/67/406560367.db2.gz YUNHSAUXRIBHSY-NVXWUHKLSA-N 2 0 303.450 2.155 10 0 DEAERP C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000643489438 407006740 /nfs/dbraw/zinc/00/67/40/407006740.db2.gz JIXRTRBCHYJMCS-RYUDHWBXSA-N 2 0 315.259 2.013 10 0 DEAERP CC[C@](C)(C[NH2+]CC(C)C)C[NH+]1CCC(OCCO)CC1 ZINC000129428059 196047230 /nfs/dbraw/zinc/04/72/30/196047230.db2.gz XKIXVCYTMHZAPP-QGZVFWFLSA-N 2 0 300.487 2.122 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)[C@H](C)C1 ZINC000133971414 196350628 /nfs/dbraw/zinc/35/06/28/196350628.db2.gz LDVCUEWDZCICMF-BMFZPTHFSA-N 2 0 301.434 2.432 10 0 DEAERP C[N@@H+]1CCC[C@@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000134376030 196384018 /nfs/dbraw/zinc/38/40/18/196384018.db2.gz YOHUSHAPZBUHGU-CQSZACIVSA-N 2 0 323.238 2.048 10 0 DEAERP c1cc2c(cccc2CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[nH]1 ZINC000423117352 230356593 /nfs/dbraw/zinc/35/65/93/230356593.db2.gz VBBQTFDNJUHDHA-YTQUADARSA-N 2 0 313.445 2.457 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085401172 267386950 /nfs/dbraw/zinc/38/69/50/267386950.db2.gz PNBCAHWLBVIXRB-RDJZCZTQSA-N 2 0 324.513 2.090 10 0 DEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000397517745 269106547 /nfs/dbraw/zinc/10/65/47/269106547.db2.gz STEMERCBZJLNCK-SJLPKXTDSA-N 2 0 318.461 2.171 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000175385659 276378692 /nfs/dbraw/zinc/37/86/92/276378692.db2.gz UAPZPGXDSFUHFU-KRWDZBQOSA-N 2 0 322.497 2.131 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079495617 279128065 /nfs/dbraw/zinc/12/80/65/279128065.db2.gz MCKQQZANKCGZBF-IYBDPMFKSA-N 2 0 314.518 2.238 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000247564885 288309821 /nfs/dbraw/zinc/30/98/21/288309821.db2.gz VKDIEMZWQDBXAL-OWCLPIDISA-N 2 0 324.513 2.231 10 0 DEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000113576715 297093576 /nfs/dbraw/zinc/09/35/76/297093576.db2.gz XYZKXULLXAJXDV-UKRRQHHQSA-N 2 0 322.497 2.174 10 0 DEAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000188074085 333024270 /nfs/dbraw/zinc/02/42/70/333024270.db2.gz VHUWRKCDHHYRDV-HNNXBMFYSA-N 2 0 306.450 2.015 10 0 DEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448281083 528221077 /nfs/dbraw/zinc/22/10/77/528221077.db2.gz KWUVHZUJOBUMAC-CGTJXYLNSA-N 2 0 319.493 2.336 10 0 DEAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261814612 535759867 /nfs/dbraw/zinc/75/98/67/535759867.db2.gz HPVDOSXLMRWVOL-JKSUJKDBSA-N 2 0 303.450 2.265 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261545471 646981176 /nfs/dbraw/zinc/98/11/76/646981176.db2.gz KBSKPSJORUVOTR-NVXWUHKLSA-N 2 0 303.450 2.155 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000380924998 685398772 /nfs/dbraw/zinc/39/87/72/685398772.db2.gz BRDXILJRZSSCRR-MOPGFXCFSA-N 3 0 319.493 2.242 10 0 DEAERP Brc1cnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000714952799 792374735 /nfs/dbraw/zinc/37/47/35/792374735.db2.gz VQCXJDNJDIVAQF-KXUCPTDWSA-N 2 0 316.268 2.383 10 0 DEAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000715543561 792477301 /nfs/dbraw/zinc/47/73/01/792477301.db2.gz PZSCRMFBKWPSCZ-HUUCEWRRSA-N 2 0 311.470 2.316 10 0 DEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000715571679 792483606 /nfs/dbraw/zinc/48/36/06/792483606.db2.gz OZZITDYIHJHCGB-XBMUEBEBSA-N 2 0 320.477 2.417 10 0 DEAERP CO[C@](C)(CO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716634420 792982803 /nfs/dbraw/zinc/98/28/03/792982803.db2.gz AVZVBDJXJYSYGJ-RDGPPVDQSA-N 2 0 318.461 2.027 10 0 DEAERP CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)NC ZINC000716714781 793003800 /nfs/dbraw/zinc/00/38/00/793003800.db2.gz WFZWQQCKJNUPMB-XWTMOSNGSA-N 2 0 315.461 2.154 10 0 DEAERP OC1(CC[NH2+][C@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717978204 1081855313 /nfs/dbraw/zinc/85/53/13/1081855313.db2.gz YYLGEVPUBSMHMO-SFHVURJKSA-N 2 0 318.461 2.172 10 0 DEAERP CC[NH2+]Cc1c(N(C)C[C@@H]2CCC[N@@H+]2C)nc2sccn12 ZINC000092633004 185330354 /nfs/dbraw/zinc/33/03/54/185330354.db2.gz AXCJUAPAZLPFHQ-LBPRGKRZSA-N 2 0 307.467 2.036 10 0 DEAERP CC[NH+](CC)CCCN1Cc2c(cccc2N(C)C)[C@@H]1C[NH3+] ZINC000071683387 191006847 /nfs/dbraw/zinc/00/68/47/191006847.db2.gz CHZIBGZYHCPZAO-SFHVURJKSA-N 2 0 304.482 2.300 10 0 DEAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)c(Br)c1 ZINC000164055275 186147112 /nfs/dbraw/zinc/14/71/12/186147112.db2.gz RHQLLNGBTBEJPD-CQSZACIVSA-N 2 0 312.255 2.005 10 0 DEAERP Cn1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000273045040 539801539 /nfs/dbraw/zinc/80/15/39/539801539.db2.gz JGSDACYNEDOADO-BHIYHBOVSA-N 2 0 310.445 2.420 10 0 DEAERP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309717732 539877913 /nfs/dbraw/zinc/87/79/13/539877913.db2.gz MMXCVISXNMQWSX-WDYCEAGBSA-N 2 0 315.461 2.155 10 0 DEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000333468031 539960384 /nfs/dbraw/zinc/96/03/84/539960384.db2.gz ACUVQEFKJWJESP-HOTGVXAUSA-N 2 0 322.497 2.164 10 0 DEAERP OC[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC12CC[NH2+]CC2 ZINC000169782190 355982993 /nfs/dbraw/zinc/98/29/93/355982993.db2.gz LGGRECNOAGEKEK-CYBMUJFWSA-N 2 0 312.816 2.273 10 0 DEAERP CCOc1ccccc1C[NH+]1CCC([C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC000169788987 355983462 /nfs/dbraw/zinc/98/34/62/355983462.db2.gz BLDWUIBPTOBVFT-ROUUACIJSA-N 2 0 318.461 2.125 10 0 DEAERP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400420276 283156740 /nfs/dbraw/zinc/15/67/40/283156740.db2.gz WSQOZPWTOUGZEY-APWZRJJASA-N 3 0 301.478 2.486 10 0 DEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236907996 202064709 /nfs/dbraw/zinc/06/47/09/202064709.db2.gz SRHDBAHXILLWKR-PBHICJAKSA-N 2 0 303.450 2.272 10 0 DEAERP C[NH+](C)CCOCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000447593599 239033741 /nfs/dbraw/zinc/03/37/41/239033741.db2.gz TXKKEVOHDALHSV-FUHWJXTLSA-N 2 0 306.450 2.322 10 0 DEAERP CC[NH2+]Cc1c(N2CCC[C@@H]([NH+](C)C)C2)nc2sccn12 ZINC000091393767 193050265 /nfs/dbraw/zinc/05/02/65/193050265.db2.gz NBAQRXQWDQNXOV-GFCCVEGCSA-N 2 0 307.467 2.036 10 0 DEAERP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188509 365326185 /nfs/dbraw/zinc/32/61/85/365326185.db2.gz RXXORPHGUVXCFS-RTBURBONSA-N 2 0 321.509 2.236 10 0 DEAERP C[NH+](C)CCN1C(=[NH2+])NC[C@]1(C)c1cc(Cl)ccc1Cl ZINC000093374941 193241036 /nfs/dbraw/zinc/24/10/36/193241036.db2.gz XAHMYVFCAAVTPH-CQSZACIVSA-N 2 0 315.248 2.401 10 0 DEAERP CCC[N@@H+](CC(=O)Nc1nc(C)cs1)CC1CC[NH2+]CC1 ZINC000094025626 193340181 /nfs/dbraw/zinc/34/01/81/193340181.db2.gz AYCRIEWWZJLTHN-UHFFFAOYSA-N 2 0 310.467 2.102 10 0 DEAERP CC1(C)CCSC[C@]1(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000094484260 193372415 /nfs/dbraw/zinc/37/24/15/193372415.db2.gz USBIVQNAXOLAAT-KRWDZBQOSA-N 2 0 311.539 2.407 10 0 DEAERP CC[NH+]1CCN(C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000021518284 182278042 /nfs/dbraw/zinc/27/80/42/182278042.db2.gz AUYSPNPUYSYYMX-AWEZNQCLSA-N 2 0 301.356 2.343 10 0 DEAERP Cc1cccc(OCC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000106126464 194187952 /nfs/dbraw/zinc/18/79/52/194187952.db2.gz LCTXOCROYBVYDQ-QGZVFWFLSA-N 2 0 320.477 2.398 10 0 DEAERP Cc1cccc(OCC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000106126469 194188300 /nfs/dbraw/zinc/18/83/00/194188300.db2.gz LCTXOCROYBVYDQ-KRWDZBQOSA-N 2 0 320.477 2.398 10 0 DEAERP COCC[N@H+](CC(C)C)C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052508718 183862511 /nfs/dbraw/zinc/86/25/11/183862511.db2.gz RBICELDSANXLMZ-DLBZAZTESA-N 2 0 300.487 2.384 10 0 DEAERP NC1=[NH+]C[C@]2(CC[N@@H+]3CCC[C@@H]3C2)N1c1cccc(Cl)c1 ZINC000157244070 197172308 /nfs/dbraw/zinc/17/23/08/197172308.db2.gz QTBOYEUXVWBOOH-GDBMZVCRSA-N 2 0 304.825 2.472 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000177314515 285235460 /nfs/dbraw/zinc/23/54/60/285235460.db2.gz XEXSCALNSPEGAB-MRXNPFEDSA-N 2 0 324.513 2.377 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111836884 285267277 /nfs/dbraw/zinc/26/72/77/285267277.db2.gz ONOLCDLGBFVQTQ-KRWDZBQOSA-N 2 0 324.513 2.426 10 0 DEAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 ZINC000503716206 257210157 /nfs/dbraw/zinc/21/01/57/257210157.db2.gz FJCKEDGBPJKYGA-KURKYZTESA-N 2 0 322.424 2.136 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000358181066 133126589 /nfs/dbraw/zinc/12/65/89/133126589.db2.gz BYPRQFPAVYMTNS-KRWDZBQOSA-N 2 0 322.497 2.060 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000358179718 133126695 /nfs/dbraw/zinc/12/66/95/133126695.db2.gz BHDLROVPRSTTEE-UHFFFAOYSA-N 2 0 322.497 2.201 10 0 DEAERP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248828816 145169301 /nfs/dbraw/zinc/16/93/01/145169301.db2.gz APXBVRKYRCBVTB-ZOBUZTSGSA-N 2 0 303.450 2.283 10 0 DEAERP C[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000261648902 145213997 /nfs/dbraw/zinc/21/39/97/145213997.db2.gz BFAACWOCWQMLMD-IIDMSEBBSA-N 2 0 315.461 2.019 10 0 DEAERP COCCOc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261680704 145216157 /nfs/dbraw/zinc/21/61/57/145216157.db2.gz GXYKBPOXIBCEBE-KRWDZBQOSA-N 2 0 322.449 2.280 10 0 DEAERP CCC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261931329 145243537 /nfs/dbraw/zinc/24/35/37/145243537.db2.gz WGIYRESEYYWZBJ-HOTGVXAUSA-N 2 0 309.498 2.393 10 0 DEAERP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261976832 145248338 /nfs/dbraw/zinc/24/83/38/145248338.db2.gz RDKWGWAFFCUJEZ-AKHDSKFASA-N 3 0 323.525 2.244 10 0 DEAERP C[C@]1(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)CC[NH2+]C1 ZINC000262100086 145261714 /nfs/dbraw/zinc/26/17/14/145261714.db2.gz VMGIBBPPRJVBQS-HKUYNNGSSA-N 2 0 313.445 2.434 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262121949 145263860 /nfs/dbraw/zinc/26/38/60/145263860.db2.gz IUJZDQAGMBEBFJ-MTSZKFMLSA-N 2 0 307.482 2.144 10 0 DEAERP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000262359900 145278682 /nfs/dbraw/zinc/27/86/82/145278682.db2.gz WHRUQDQAKHLSFZ-XUWVNRHRSA-N 2 0 302.418 2.337 10 0 DEAERP C[C@@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460641 145285326 /nfs/dbraw/zinc/28/53/26/145285326.db2.gz INMXDASLVQNBAA-CZUORRHYSA-N 2 0 307.413 2.077 10 0 DEAERP CCN(C(=O)[C@H](C)C[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262469070 145285545 /nfs/dbraw/zinc/28/55/45/145285545.db2.gz YBAGAEXSJXBNSQ-HLLBOEOZSA-N 2 0 303.450 2.265 10 0 DEAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)(C)C ZINC000175014892 289178064 /nfs/dbraw/zinc/17/80/64/289178064.db2.gz CIJUUNDXAOTWPN-HZPDHXFCSA-N 2 0 322.497 2.009 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127327280 401728965 /nfs/dbraw/zinc/72/89/65/401728965.db2.gz ZZIPBMUDHBIPJX-GDBMZVCRSA-N 2 0 322.497 2.033 10 0 DEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119137834 401928438 /nfs/dbraw/zinc/92/84/38/401928438.db2.gz NZIVBCQTMQYOHM-AQFXKWCLSA-N 2 0 324.513 2.090 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000136814571 401974321 /nfs/dbraw/zinc/97/43/21/401974321.db2.gz CYNRSGBFDVKAAT-MRXNPFEDSA-N 2 0 324.513 2.377 10 0 DEAERP CCC[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000135516319 401943233 /nfs/dbraw/zinc/94/32/33/401943233.db2.gz HXFJGDITFWWHQD-CRAIPNDOSA-N 2 0 317.477 2.280 10 0 DEAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000124692538 402192345 /nfs/dbraw/zinc/19/23/45/402192345.db2.gz ZVAULHLEXDMBOK-MRXNPFEDSA-N 2 0 319.497 2.021 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000176331906 402300610 /nfs/dbraw/zinc/30/06/10/402300610.db2.gz KGDFCSPPYOOFSY-DLBZAZTESA-N 2 0 324.513 2.233 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176642189 402325856 /nfs/dbraw/zinc/32/58/56/402325856.db2.gz RZPBPZAVXDACLB-WCXIOVBPSA-N 2 0 322.497 2.127 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000177386590 402396764 /nfs/dbraw/zinc/39/67/64/402396764.db2.gz ZTHAXZLTABCUCA-KRWDZBQOSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237408760 402406919 /nfs/dbraw/zinc/40/69/19/402406919.db2.gz OKUHWZOWCQULCQ-DJIMGWMZSA-N 2 0 315.461 2.456 10 0 DEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000238029920 402433701 /nfs/dbraw/zinc/43/37/01/402433701.db2.gz VLTOXWLOXRQNFT-QGZVFWFLSA-N 2 0 301.434 2.041 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000165865934 402479459 /nfs/dbraw/zinc/47/94/59/402479459.db2.gz NSPVZUABSQGRGM-RDJZCZTQSA-N 2 0 309.498 2.250 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189958597 402568234 /nfs/dbraw/zinc/56/82/34/402568234.db2.gz JYNGIPOJBBDNNQ-HNNXBMFYSA-N 2 0 312.502 2.088 10 0 DEAERP CCN(CCC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000190002148 402569577 /nfs/dbraw/zinc/56/95/77/402569577.db2.gz LTPHCSBOXCHITC-UHFFFAOYSA-N 2 0 312.502 2.090 10 0 DEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246486359 402533365 /nfs/dbraw/zinc/53/33/65/402533365.db2.gz OYWZQCFURGNVJC-ALYAQQCSSA-N 2 0 307.482 2.144 10 0 DEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171633518 402603707 /nfs/dbraw/zinc/60/37/07/402603707.db2.gz XLWYCXFNRSJAGQ-IAGOWNOFSA-N 2 0 324.513 2.233 10 0 DEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171633523 402603860 /nfs/dbraw/zinc/60/38/60/402603860.db2.gz XLWYCXFNRSJAGQ-IRXDYDNUSA-N 2 0 324.513 2.233 10 0 DEAERP CC[N@H+](CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000180169061 402608779 /nfs/dbraw/zinc/60/87/79/402608779.db2.gz XQQYFKKXCTWFTE-FUHWJXTLSA-N 2 0 301.434 2.032 10 0 DEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182236471 402675028 /nfs/dbraw/zinc/67/50/28/402675028.db2.gz UNMCMFIAHYSOFQ-INIZCTEOSA-N 2 0 318.461 2.284 10 0 DEAERP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC000174352946 402737984 /nfs/dbraw/zinc/73/79/84/402737984.db2.gz IVLXOJRRMSWYCK-QGZVFWFLSA-N 2 0 324.513 2.375 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193447096 402770944 /nfs/dbraw/zinc/77/09/44/402770944.db2.gz ADBDATLZQIIGOZ-INIZCTEOSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000175809714 402834554 /nfs/dbraw/zinc/83/45/54/402834554.db2.gz HFBWPVRERVVNHQ-WBVHZDCISA-N 2 0 319.493 2.252 10 0 DEAERP C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000175809695 402834719 /nfs/dbraw/zinc/83/47/19/402834719.db2.gz HFBWPVRERVVNHQ-RDJZCZTQSA-N 2 0 319.493 2.252 10 0 DEAERP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)n(-c2ccccc2)n1 ZINC000279088654 402902621 /nfs/dbraw/zinc/90/26/21/402902621.db2.gz HYYSIKDVDWHPBV-UHFFFAOYSA-N 2 0 314.433 2.074 10 0 DEAERP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516105 402849353 /nfs/dbraw/zinc/84/93/53/402849353.db2.gz IZNZTKDCPARKBS-DZGCQCFKSA-N 2 0 304.438 2.039 10 0 DEAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C2)[nH+]1 ZINC000195516158 402849660 /nfs/dbraw/zinc/84/96/60/402849660.db2.gz OKPHYCQVBYOKCX-JKSUJKDBSA-N 2 0 318.465 2.285 10 0 DEAERP C(C[NH+]1CCOCC1)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347396697 403693743 /nfs/dbraw/zinc/69/37/43/403693743.db2.gz WMSHWUFUZKXMJX-GOSISDBHSA-N 2 0 310.482 2.380 10 0 DEAERP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)CN1Cc1ccccc1 ZINC000303491655 403755402 /nfs/dbraw/zinc/75/54/02/403755402.db2.gz ZUCUZIRIKWIBPH-AGERRDQYSA-N 2 0 315.461 2.283 10 0 DEAERP C(CC[NH+]1CCO[C@H](C2CC2)C1)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000368793083 403861383 /nfs/dbraw/zinc/86/13/83/403861383.db2.gz RUVBOJKTPNZLIZ-KDURUIRLSA-N 2 0 322.493 2.378 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000390004746 405043371 /nfs/dbraw/zinc/04/33/71/405043371.db2.gz VVHFUMDZXPYKIS-KBAYOESNSA-N 2 0 315.461 2.013 10 0 DEAERP COC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000580468028 405623576 /nfs/dbraw/zinc/62/35/76/405623576.db2.gz KUWHEGFBGXZEIT-RDGPPVDQSA-N 2 0 318.461 2.169 10 0 DEAERP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000638852066 405714673 /nfs/dbraw/zinc/71/46/73/405714673.db2.gz VDKUMFMEIHMWIZ-MSOLQXFVSA-N 2 0 315.461 2.157 10 0 DEAERP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000638852528 405715389 /nfs/dbraw/zinc/71/53/89/405715389.db2.gz YCJHKXMOWFHFET-QZTJIDSGSA-N 2 0 315.461 2.299 10 0 DEAERP CC1=CCN(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459470843 405917298 /nfs/dbraw/zinc/91/72/98/405917298.db2.gz ARKKENWAJBOGTK-UHFFFAOYSA-N 2 0 300.450 2.292 10 0 DEAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000635003090 406395244 /nfs/dbraw/zinc/39/52/44/406395244.db2.gz FTZNFNWKZVSGFV-JFRXWTBNSA-N 2 0 301.478 2.342 10 0 DEAERP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638074374 406555648 /nfs/dbraw/zinc/55/56/48/406555648.db2.gz MDCKXTXSQAHGOB-QZTJIDSGSA-N 2 0 313.445 2.157 10 0 DEAERP c1cc2c(cccc2CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)[nH]1 ZINC000423117351 230356833 /nfs/dbraw/zinc/35/68/33/230356833.db2.gz VBBQTFDNJUHDHA-QXAKKESOSA-N 2 0 313.445 2.457 10 0 DEAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390715916 424917870 /nfs/dbraw/zinc/91/78/70/424917870.db2.gz CLTGBNYEXIIQLW-OKZBNKHCSA-N 2 0 315.461 2.142 10 0 DEAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000653201995 425433639 /nfs/dbraw/zinc/43/36/39/425433639.db2.gz CYBVNEGOVQDBJR-LHHMISFZSA-N 2 0 315.461 2.106 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333907043 269003481 /nfs/dbraw/zinc/00/34/81/269003481.db2.gz CZJFXFGGGALMBH-BZUAXINKSA-N 2 0 324.513 2.184 10 0 DEAERP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H](C)O1 ZINC000397587714 269106577 /nfs/dbraw/zinc/10/65/77/269106577.db2.gz KFOZQSKZUWZOEY-RYRKJORJSA-N 2 0 318.461 2.169 10 0 DEAERP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000247855786 276282243 /nfs/dbraw/zinc/28/22/43/276282243.db2.gz XZKPBOPYTUYKHC-ZACQAIPSSA-N 2 0 303.450 2.278 10 0 DEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000261735696 279091906 /nfs/dbraw/zinc/09/19/06/279091906.db2.gz NGHJBUOQUGGKDI-BZSNNMDCSA-N 2 0 321.509 2.488 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000247478294 279281961 /nfs/dbraw/zinc/28/19/61/279281961.db2.gz IWETUZZISRCTLA-CVEARBPZSA-N 2 0 312.502 2.136 10 0 DEAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCCCC1 ZINC000261934562 282040796 /nfs/dbraw/zinc/04/07/96/282040796.db2.gz KBPRHKDOMIRVCO-OAGGEKHMSA-N 2 0 307.482 2.288 10 0 DEAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000237845240 303484930 /nfs/dbraw/zinc/48/49/30/303484930.db2.gz HJTAZHRHBKCOPX-HOTGVXAUSA-N 2 0 307.482 2.419 10 0 DEAERP CCCCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000157958112 520080834 /nfs/dbraw/zinc/08/08/34/520080834.db2.gz MKOHKXPUHADIPL-GOSISDBHSA-N 2 0 311.514 2.294 10 0 DEAERP CCC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000156613838 520983465 /nfs/dbraw/zinc/98/34/65/520983465.db2.gz JCWCFFMQAVWUII-CGTJXYLNSA-N 2 0 317.477 2.353 10 0 DEAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262655710 535583822 /nfs/dbraw/zinc/58/38/22/535583822.db2.gz CRYGWSJGFUQQPE-HZMVEIRTSA-N 2 0 307.482 2.097 10 0 DEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247125263 535874337 /nfs/dbraw/zinc/87/43/37/535874337.db2.gz RZPBPZAVXDACLB-VVLHAWIVSA-N 2 0 322.497 2.127 10 0 DEAERP C[C@@H]1C[NH2+]C[C@H]1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309698838 625511456 /nfs/dbraw/zinc/51/14/56/625511456.db2.gz FJCCPGQRGSZRMR-AEFFLSMTSA-N 3 0 301.478 2.438 10 0 DEAERP [NH3+]CCCCCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000188289080 684352247 /nfs/dbraw/zinc/35/22/47/684352247.db2.gz JUVRPRPXQICHEO-KRWDZBQOSA-N 2 0 318.465 2.071 10 0 DEAERP OCC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716623244 792980632 /nfs/dbraw/zinc/98/06/32/792980632.db2.gz ZBUJPMXVOVESPY-HJTRDACESA-N 2 0 300.446 2.400 10 0 DEAERP C[C@H](C[S@@](C)=O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680050 792984216 /nfs/dbraw/zinc/98/42/16/792984216.db2.gz PYORPDLQIJGXHL-GBGLDMQLSA-N 2 0 320.502 2.396 10 0 DEAERP CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(N)=O ZINC000716731223 793004061 /nfs/dbraw/zinc/00/40/61/793004061.db2.gz ANUFSWWYGVLOPA-ULQDDVLXSA-N 2 0 315.461 2.141 10 0 DEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH2+]CC1CC1 ZINC000717142498 799234568 /nfs/dbraw/zinc/23/45/68/799234568.db2.gz IJPZNPPROGCKCD-HNNXBMFYSA-N 2 0 303.450 2.013 10 0 DEAERP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000720248967 1089537709 /nfs/dbraw/zinc/53/77/09/1089537709.db2.gz IOZUYDVVWCRCJM-LPEHRKFASA-N 2 0 302.287 2.136 10 0 DEAERP C[NH2+]CCCCC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000719728382 1092527712 /nfs/dbraw/zinc/52/77/12/1092527712.db2.gz NYEYEAINLLEISU-UHFFFAOYSA-N 2 0 317.477 2.499 10 0 DEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2nc(C(C)C)ns2)CC1 ZINC000087639635 185229924 /nfs/dbraw/zinc/22/99/24/185229924.db2.gz YPNYXFZZHNMZQC-ZDUSSCGKSA-N 2 0 311.499 2.301 10 0 DEAERP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000092364745 185313936 /nfs/dbraw/zinc/31/39/36/185313936.db2.gz RKOVUYISWGCUFX-LBPRGKRZSA-N 2 0 305.403 2.471 10 0 DEAERP CCC(CC)[C@@H](CNC(=O)c1coc(C[NH3+])c1)[NH+]1CCCC1 ZINC000188055336 282238120 /nfs/dbraw/zinc/23/81/20/282238120.db2.gz JTAGWXZOKNUEQQ-MRXNPFEDSA-N 2 0 307.438 2.369 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)c1nc2sccn2c1C[NH2+]C ZINC000092633211 185330662 /nfs/dbraw/zinc/33/06/62/185330662.db2.gz DFGJESJKXKHLAX-LBPRGKRZSA-N 2 0 307.467 2.036 10 0 DEAERP CC[NH+](CC)CCCN1Cc2c(cc(OC)cc2F)[C@@H]1C[NH3+] ZINC000071683459 191006666 /nfs/dbraw/zinc/00/66/66/191006666.db2.gz FAMLGGYRHZUKOQ-KRWDZBQOSA-N 2 0 309.429 2.382 10 0 DEAERP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245936470 539759384 /nfs/dbraw/zinc/75/93/84/539759384.db2.gz UAJIMOFGICXXCU-IXDOHACOSA-N 2 0 312.498 2.407 10 0 DEAERP C[NH2+][C@H](C[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)c(F)c1F ZINC000149554652 186051076 /nfs/dbraw/zinc/05/10/76/186051076.db2.gz LIIFYOHZVFKSHB-ZWNOBZJWSA-N 2 0 301.356 2.000 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1[C@](C)(F)[C@@H]1CCC[NH2+]C1 ZINC000164005558 186145380 /nfs/dbraw/zinc/14/53/80/186145380.db2.gz CGASUWKOMPSOGR-BXUZGUMPSA-N 2 0 302.825 2.282 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309678306 539878149 /nfs/dbraw/zinc/87/81/49/539878149.db2.gz YCLTYAZGPMXEEM-RBUKOAKNSA-N 3 0 319.493 2.242 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309678305 539878246 /nfs/dbraw/zinc/87/82/46/539878246.db2.gz YCLTYAZGPMXEEM-OALUTQOASA-N 3 0 319.493 2.242 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382727583 540123512 /nfs/dbraw/zinc/12/35/12/540123512.db2.gz WCJZPFPPVDQKOQ-SJLPKXTDSA-N 2 0 317.477 2.483 10 0 DEAERP c1ncn(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000578625782 356847082 /nfs/dbraw/zinc/84/70/82/356847082.db2.gz LYTHNSGJMSNMCN-KRWDZBQOSA-N 2 0 311.433 2.065 10 0 DEAERP c1n[nH]cc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000600812129 359834902 /nfs/dbraw/zinc/83/49/02/359834902.db2.gz MZGGYWOHTQJPRD-UHFFFAOYSA-N 2 0 300.406 2.174 10 0 DEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@H]1c1ccc(SC)cc1 ZINC000093382264 193240642 /nfs/dbraw/zinc/24/06/42/193240642.db2.gz GLEJEHUKPWSLEZ-HNNXBMFYSA-N 2 0 306.479 2.422 10 0 DEAERP CCOC(=O)[C@]1([NH3+])CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596064 193270905 /nfs/dbraw/zinc/27/09/05/193270905.db2.gz VMZJFWRMDLBBBD-AAEUAGOBSA-N 2 0 310.360 2.321 10 0 DEAERP CCC[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](CC)[C@@H](C)COC ZINC000093617278 193275826 /nfs/dbraw/zinc/27/58/26/193275826.db2.gz QUNBGNQPGOONEB-ULQDDVLXSA-N 2 0 300.487 2.264 10 0 DEAERP CC[NH2+][C@]1(CO)CCC[C@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093783418 193307916 /nfs/dbraw/zinc/30/79/16/193307916.db2.gz WARFXYYHWFUUQR-DLBZAZTESA-N 2 0 300.487 2.407 10 0 DEAERP CC(C)[NH2+]CC1CC[NH+]([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644250 193390032 /nfs/dbraw/zinc/39/00/32/193390032.db2.gz BDHQJXWZOWCELT-HOTGVXAUSA-N 2 0 316.511 2.052 10 0 DEAERP CC[NH2+]Cc1nc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cs1 ZINC000094443696 193369564 /nfs/dbraw/zinc/36/95/64/193369564.db2.gz PQGRKPDQERIYDG-DZGCQCFKSA-N 2 0 308.495 2.311 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1[nH+]c(NN)ccc1Cl ZINC000094442287 193370138 /nfs/dbraw/zinc/37/01/38/193370138.db2.gz ODDMGVUXESDOKZ-VXGBXAGGSA-N 2 0 309.845 2.079 10 0 DEAERP CC(C)[C@@H](C[NH2+][C@@H]1CSCC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000094488512 193373182 /nfs/dbraw/zinc/37/31/82/193373182.db2.gz FQIDWBBAWQMBNV-JKSUJKDBSA-N 2 0 313.555 2.380 10 0 DEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000530219028 284376286 /nfs/dbraw/zinc/37/62/86/284376286.db2.gz YPIWWLNTERGWRT-BPQIPLTHSA-N 2 0 313.445 2.117 10 0 DEAERP Cc1cc(Br)cc(CC[NH3+])c1OCC[NH+](C)C ZINC000160908922 197449643 /nfs/dbraw/zinc/44/96/43/197449643.db2.gz HBZXBUOORZGVSC-UHFFFAOYSA-N 2 0 301.228 2.199 10 0 DEAERP [NH3+]CCN(CC[NH3+])CC[NH2+]C1CCCCCCCCCCC1 ZINC000022443103 182321625 /nfs/dbraw/zinc/32/16/25/182321625.db2.gz JZBOEIXWVMIAFW-UHFFFAOYSA-N 3 0 312.546 2.469 10 0 DEAERP Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000156700166 197133815 /nfs/dbraw/zinc/13/38/15/197133815.db2.gz FNAHBZVNCFSOMT-CYBMUJFWSA-N 2 0 304.463 2.007 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245908801 285229790 /nfs/dbraw/zinc/22/97/90/285229790.db2.gz IOGDMYSUGLURDD-IAGOWNOFSA-N 2 0 322.497 2.131 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC1 ZINC000545176108 285393162 /nfs/dbraw/zinc/39/31/62/285393162.db2.gz FHWYVHGTZCJRQM-UHFFFAOYSA-N 2 0 322.497 2.154 10 0 DEAERP COCCN1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190944260 145050506 /nfs/dbraw/zinc/05/05/06/145050506.db2.gz YVWIRSCWKGVWEC-KRWDZBQOSA-N 2 0 320.481 2.127 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000247350927 145134701 /nfs/dbraw/zinc/13/47/01/145134701.db2.gz NZXZYPPQLIKIKQ-WMLDXEAASA-N 2 0 303.450 2.207 10 0 DEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247385006 145135275 /nfs/dbraw/zinc/13/52/75/145135275.db2.gz FWYUCAGXQGRQKQ-HMQMGEFJSA-N 2 0 322.497 2.175 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCOCC2 ZINC000248998774 145175280 /nfs/dbraw/zinc/17/52/80/145175280.db2.gz PVBVGPOHFRUYPJ-LDBYLJPUSA-N 2 0 308.466 2.175 10 0 DEAERP C[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCCCCC1 ZINC000261700687 145218462 /nfs/dbraw/zinc/21/84/62/145218462.db2.gz JMPRWRULZSQJQV-KRWDZBQOSA-N 2 0 317.477 2.281 10 0 DEAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262041474 145256019 /nfs/dbraw/zinc/25/60/19/145256019.db2.gz BYHLWYRMMOBOMR-PVAVHDDUSA-N 2 0 301.434 2.162 10 0 DEAERP CC(C)[N@@H+]1CCc2nc(CN3CC[C@@]4(CC[NH2+]C4)C3)sc2C1 ZINC000262043209 145256247 /nfs/dbraw/zinc/25/62/47/145256247.db2.gz PJFVVQJARIMYEE-QGZVFWFLSA-N 2 0 320.506 2.095 10 0 DEAERP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000262053797 145257920 /nfs/dbraw/zinc/25/79/20/145257920.db2.gz QMKPNRFOEJVLHA-GOSISDBHSA-N 3 0 302.466 2.229 10 0 DEAERP C[C@]1(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC[NH2+]C1 ZINC000262079674 145259844 /nfs/dbraw/zinc/25/98/44/145259844.db2.gz SYQVNNYTSJSCHC-IBGZPJMESA-N 2 0 315.461 2.014 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000073952728 401725646 /nfs/dbraw/zinc/72/56/46/401725646.db2.gz IADKKTFFJPPPRA-KRWDZBQOSA-N 2 0 324.513 2.234 10 0 DEAERP OCC[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013732767 401804168 /nfs/dbraw/zinc/80/41/68/401804168.db2.gz LXDUDBBNJPUKCN-UHFFFAOYSA-N 2 0 314.429 2.327 10 0 DEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118786036 401907489 /nfs/dbraw/zinc/90/74/89/401907489.db2.gz BKSBFWFGHYNFFV-KRWDZBQOSA-N 2 0 307.482 2.336 10 0 DEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118786034 401907567 /nfs/dbraw/zinc/90/75/67/401907567.db2.gz BKSBFWFGHYNFFV-QGZVFWFLSA-N 2 0 307.482 2.336 10 0 DEAERP CC1CC[NH+](CC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000137289573 401981881 /nfs/dbraw/zinc/98/18/81/401981881.db2.gz BXCSEESXOOBLRB-UHFFFAOYSA-N 2 0 307.482 2.053 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054764276 402070968 /nfs/dbraw/zinc/07/09/68/402070968.db2.gz DLTNOPBYMZISAU-INIZCTEOSA-N 2 0 320.481 2.148 10 0 DEAERP C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123247408 402117579 /nfs/dbraw/zinc/11/75/79/402117579.db2.gz WTHDMKDBVVRVSN-VQHPVUNQSA-N 2 0 309.498 2.438 10 0 DEAERP COc1ccc(C)cc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123423604 402127119 /nfs/dbraw/zinc/12/71/19/402127119.db2.gz BRLJHNIURDKWOB-HUUCEWRRSA-N 2 0 319.449 2.357 10 0 DEAERP CCC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000154878211 402237309 /nfs/dbraw/zinc/23/73/09/402237309.db2.gz CRTALKUFTSYMPK-NVXWUHKLSA-N 2 0 305.466 2.353 10 0 DEAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236765890 402381770 /nfs/dbraw/zinc/38/17/70/402381770.db2.gz JHIYHPZRPRLDAC-PVAVHDDUSA-N 2 0 307.482 2.288 10 0 DEAERP CC(C)Cc1ncc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000185864845 402384307 /nfs/dbraw/zinc/38/43/07/402384307.db2.gz GNLIRGGIHHAIFW-OAHLLOKOSA-N 2 0 324.538 2.457 10 0 DEAERP CCC[C@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)[NH+](C)C ZINC000161727858 402397097 /nfs/dbraw/zinc/39/70/97/402397097.db2.gz JCEYSLQSVVRHDF-QGZVFWFLSA-N 2 0 305.466 2.485 10 0 DEAERP C[C@@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237345478 402405341 /nfs/dbraw/zinc/40/53/41/402405341.db2.gz BTGHOKHQHDSHQP-INIZCTEOSA-N 2 0 321.509 2.347 10 0 DEAERP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C12CCOCC2 ZINC000186321224 402420902 /nfs/dbraw/zinc/42/09/02/402420902.db2.gz DPEOUBKSWBGGTE-DLBZAZTESA-N 2 0 310.482 2.282 10 0 DEAERP Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000166324609 402483718 /nfs/dbraw/zinc/48/37/18/402483718.db2.gz BRHNFOUDQBQBRH-BZSNNMDCSA-N 2 0 315.461 2.376 10 0 DEAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)[C@@H](C)C1 ZINC000245734822 402484046 /nfs/dbraw/zinc/48/40/46/402484046.db2.gz JVLCSKUGGZLCFM-ZNMIVQPWSA-N 2 0 305.470 2.036 10 0 DEAERP CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000167668078 402492898 /nfs/dbraw/zinc/49/28/98/402492898.db2.gz HSWWAPHREYXKRU-QZTJIDSGSA-N 2 0 315.461 2.237 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246910629 402548956 /nfs/dbraw/zinc/54/89/56/402548956.db2.gz XZJWFTVZDBBDJU-GVDBMIGSSA-N 2 0 324.513 2.135 10 0 DEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000247461859 402567561 /nfs/dbraw/zinc/56/75/61/402567561.db2.gz ULKQZLLFJGDDQD-DZGCQCFKSA-N 2 0 324.513 2.324 10 0 DEAERP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246427775 402530870 /nfs/dbraw/zinc/53/08/70/402530870.db2.gz MKVKCFXQPBVZSZ-ULQDDVLXSA-N 2 0 324.513 2.233 10 0 DEAERP [NH3+]C1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000178726805 402531570 /nfs/dbraw/zinc/53/15/70/402531570.db2.gz QCMCLYIAADAKQN-KRWDZBQOSA-N 2 0 315.461 2.429 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249752657 402640600 /nfs/dbraw/zinc/64/06/00/402640600.db2.gz DXJABOYYWHRAAD-SJORKVTESA-N 2 0 324.513 2.425 10 0 DEAERP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173533240 402701989 /nfs/dbraw/zinc/70/19/89/402701989.db2.gz ZSKYIBXCPBFJDN-SJORKVTESA-N 2 0 324.513 2.233 10 0 DEAERP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173533227 402702193 /nfs/dbraw/zinc/70/21/93/402702193.db2.gz ZSKYIBXCPBFJDN-IAGOWNOFSA-N 2 0 324.513 2.233 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192522236 402734539 /nfs/dbraw/zinc/73/45/39/402734539.db2.gz PVCFEXXNCBWQAS-GOSISDBHSA-N 2 0 303.450 2.099 10 0 DEAERP CC(C)[NH+]1CCC(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000174829014 402758919 /nfs/dbraw/zinc/75/89/19/402758919.db2.gz FNNJNKNVOYRMID-UHFFFAOYSA-N 2 0 321.509 2.441 10 0 DEAERP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194736497 402813884 /nfs/dbraw/zinc/81/38/84/402813884.db2.gz NHRSEUHWQZYMHW-MRXNPFEDSA-N 2 0 309.498 2.489 10 0 DEAERP [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000333647548 403803354 /nfs/dbraw/zinc/80/33/54/403803354.db2.gz JHAFMDCCIBCCRP-ZBFHGGJFSA-N 2 0 302.422 2.077 10 0 DEAERP CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309702695 403962183 /nfs/dbraw/zinc/96/21/83/403962183.db2.gz GTJVSIVCGPOZQT-QZTJIDSGSA-N 2 0 315.461 2.109 10 0 DEAERP c1ncn(-c2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2)n1 ZINC000446886561 405395836 /nfs/dbraw/zinc/39/58/36/405395836.db2.gz HAUSFFWYEIPINA-UHFFFAOYSA-N 2 0 311.433 2.231 10 0 DEAERP CC(C)([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850867 405713732 /nfs/dbraw/zinc/71/37/32/405713732.db2.gz HVSNNQSAGSYCLS-MRXNPFEDSA-N 2 0 303.450 2.285 10 0 DEAERP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638074372 406555657 /nfs/dbraw/zinc/55/56/57/406555657.db2.gz MDCKXTXSQAHGOB-MSOLQXFVSA-N 2 0 313.445 2.157 10 0 DEAERP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638079419 406558801 /nfs/dbraw/zinc/55/88/01/406558801.db2.gz DFZLIRBFPMSLQC-WMZOPIPTSA-N 2 0 313.445 2.062 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638286258 406672116 /nfs/dbraw/zinc/67/21/16/406672116.db2.gz OQTXERCMCJDUEL-INIZCTEOSA-N 2 0 315.461 2.109 10 0 DEAERP c1ccc(N2CC[C@@H](C[NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000638370181 406730335 /nfs/dbraw/zinc/73/03/35/406730335.db2.gz JHRJUPLFEVDTFC-SFHVURJKSA-N 2 0 317.477 2.215 10 0 DEAERP CC[C@@](C)(C[NH2+]C(C)(C)C)C[NH+]1CCC(OCCO)CC1 ZINC000129419520 196046941 /nfs/dbraw/zinc/04/69/41/196046941.db2.gz OGKFCTTTYQRERU-KRWDZBQOSA-N 2 0 300.487 2.264 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000263254763 287272116 /nfs/dbraw/zinc/27/21/16/287272116.db2.gz KRQDCTOVAMCZGP-TWMKSMIVSA-N 2 0 307.482 2.227 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397602066 269106977 /nfs/dbraw/zinc/10/69/77/269106977.db2.gz UUVMWCNHAHKFSE-IBGZPJMESA-N 3 0 319.493 2.242 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000398025341 269107957 /nfs/dbraw/zinc/10/79/57/269107957.db2.gz LSOILXROHBVISU-NZSAHSFTSA-N 2 0 301.478 2.486 10 0 DEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000398047018 269108516 /nfs/dbraw/zinc/10/85/16/269108516.db2.gz WDVTYVKTVFONIN-ZAWLATJESA-N 2 0 301.478 2.485 10 0 DEAERP CO[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182140793 274055246 /nfs/dbraw/zinc/05/52/46/274055246.db2.gz BAHSGLPXPZUSRG-LPHOPBHVSA-N 2 0 320.477 2.399 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248863887 276339099 /nfs/dbraw/zinc/33/90/99/276339099.db2.gz FSLOFASWHBOEAE-BZUAXINKSA-N 2 0 312.502 2.136 10 0 DEAERP CC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000450494472 277097398 /nfs/dbraw/zinc/09/73/98/277097398.db2.gz MAQOLAFSNRQDSE-QAPCUYQASA-N 2 0 310.482 2.303 10 0 DEAERP C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246303365 289261941 /nfs/dbraw/zinc/26/19/41/289261941.db2.gz WVTHAMUXIRQZSP-OWCLPIDISA-N 2 0 307.482 2.335 10 0 DEAERP C[C@@H]1C[NH+](C[C@H]2CCCN2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000246166590 297027326 /nfs/dbraw/zinc/02/73/26/297027326.db2.gz BWJHEYZRPOCLNR-KZNAEPCWSA-N 2 0 309.498 2.046 10 0 DEAERP C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]C1 ZINC000237595095 526235485 /nfs/dbraw/zinc/23/54/85/526235485.db2.gz WWBYJEGWQLXUCW-DQIHPLBOSA-N 2 0 307.482 2.144 10 0 DEAERP CNC(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358037839 536490111 /nfs/dbraw/zinc/49/01/11/536490111.db2.gz NVFAJNLJMZCJAY-AYHJJNSGSA-N 2 0 315.461 2.298 10 0 DEAERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000362482280 536352243 /nfs/dbraw/zinc/35/22/43/536352243.db2.gz BAQFTBZAZQRJLE-UHFFFAOYSA-N 2 0 309.498 2.489 10 0 DEAERP Cn1nccc1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310468955 625454822 /nfs/dbraw/zinc/45/48/22/625454822.db2.gz ARFWGJYPUJSRBH-YZGWKJHDSA-N 2 0 324.472 2.463 10 0 DEAERP CNC(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309736661 625544983 /nfs/dbraw/zinc/54/49/83/625544983.db2.gz UQGFYZNNCZMCSQ-FGTMMUONSA-N 2 0 315.461 2.013 10 0 DEAERP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccoc1)C2 ZINC000888098733 635545430 /nfs/dbraw/zinc/54/54/30/635545430.db2.gz LYLSHRRPEYZAMD-FGTAOJJYSA-N 2 0 306.450 2.280 10 0 DEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261560372 635900275 /nfs/dbraw/zinc/90/02/75/635900275.db2.gz ZUGAVJCSOVIWDT-PVAVHDDUSA-N 2 0 303.450 2.141 10 0 DEAERP O[C@@H](CN1CCC[C@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000728686936 639285159 /nfs/dbraw/zinc/28/51/59/639285159.db2.gz YKJFOISOJIOPID-RTBURBONSA-N 2 0 323.525 2.031 10 0 DEAERP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000230393590 646728077 /nfs/dbraw/zinc/72/80/77/646728077.db2.gz NATYCHAJDLJMGS-BZUAXINKSA-N 2 0 323.481 2.460 10 0 DEAERP CCOC(=O)[C@H](F)[C@H](C)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000134747545 684229863 /nfs/dbraw/zinc/22/98/63/684229863.db2.gz WNNZOVQBUXHFHT-XHDPSFHLSA-N 2 0 314.376 2.267 10 0 DEAERP [NH3+]CCCCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000155418467 684272038 /nfs/dbraw/zinc/27/20/38/684272038.db2.gz WLYCVRKAINZMHQ-UHFFFAOYSA-N 2 0 303.450 2.418 10 0 DEAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ncc(Br)s1 ZINC000722540539 787331652 /nfs/dbraw/zinc/33/16/52/787331652.db2.gz YFKFHOFJVHTZOW-RKDXNWHRSA-N 2 0 304.257 2.241 10 0 DEAERP C[C@H]([NH2+]Cc1ncc(Br)s1)C1CC[NH2+]CC1 ZINC000714952806 792374511 /nfs/dbraw/zinc/37/45/11/792374511.db2.gz VSAORCPDAZEECB-QMMMGPOBSA-N 2 0 304.257 2.383 10 0 DEAERP COC[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677593 792984100 /nfs/dbraw/zinc/98/41/00/792984100.db2.gz GPPNEXQFSVDBHP-CADBVGFASA-N 2 0 318.461 2.027 10 0 DEAERP COC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677597 792984173 /nfs/dbraw/zinc/98/41/73/792984173.db2.gz GPPNEXQFSVDBHP-RDGPPVDQSA-N 2 0 318.461 2.027 10 0 DEAERP CO[C@H](C)[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717983302 1081854481 /nfs/dbraw/zinc/85/44/81/1081854481.db2.gz HZBDMEYBSFEPER-IAGOWNOFSA-N 2 0 320.477 2.417 10 0 DEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000709521445 1086682970 /nfs/dbraw/zinc/68/29/70/1086682970.db2.gz MELRNTSSYHAFKV-WDYCEAGBSA-N 2 0 315.461 2.013 10 0 DEAERP CC[C@H](CCc1c(Br)cnn1CC[NH+](C)C)[NH2+]C ZINC000163167725 197615180 /nfs/dbraw/zinc/61/51/80/197615180.db2.gz GEIRQSKHKADXPM-LLVKDONJSA-N 2 0 317.275 2.138 10 0 DEAERP C[N@H+](CCC(=O)Nc1cccc(C[NH3+])c1)CCC(F)(F)F ZINC000088417500 185249315 /nfs/dbraw/zinc/24/93/15/185249315.db2.gz ABTZRUZYSGQYNV-UHFFFAOYSA-N 2 0 303.328 2.358 10 0 DEAERP C[NH+](C)CCN1CC[NH+](C[C@@H]2CSc3ccccc32)CC1 ZINC000092663042 185332503 /nfs/dbraw/zinc/33/25/03/185332503.db2.gz XGOFIAUBTHPPFT-OAHLLOKOSA-N 2 0 305.491 2.055 10 0 DEAERP CCCNC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000369878697 535004407 /nfs/dbraw/zinc/00/44/07/535004407.db2.gz TXXQCXGEOYWEKB-UHFFFAOYSA-N 2 0 306.376 2.316 10 0 DEAERP COc1ccc(Cl)c2c1CN(C1CC[NH+](C)CC1)[C@@H]2C[NH3+] ZINC000071684019 191008428 /nfs/dbraw/zinc/00/84/28/191008428.db2.gz UMHMINMSTDHPSI-CQSZACIVSA-N 2 0 309.841 2.258 10 0 DEAERP C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@@H]1C[N@H+](C)CCN1C ZINC000149590708 186051769 /nfs/dbraw/zinc/05/17/69/186051769.db2.gz MWSFJHPSLYDMAG-QWHCGFSZSA-N 2 0 313.848 2.246 10 0 DEAERP CC[NH2+][C@@H](Cc1cccc(Cl)c1)C[C@H]1C[N@H+](C)CCN1C ZINC000149665770 186051840 /nfs/dbraw/zinc/05/18/40/186051840.db2.gz INYTWMWVZRNVNV-IRXDYDNUSA-N 2 0 309.885 2.497 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000152424550 186071409 /nfs/dbraw/zinc/07/14/09/186071409.db2.gz VNORNFOBPLDNMZ-QGZVFWFLSA-N 2 0 324.513 2.279 10 0 DEAERP C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309755764 539879150 /nfs/dbraw/zinc/87/91/50/539879150.db2.gz WZJJYDHLQQEHKH-HKUYNNGSSA-N 2 0 315.461 2.157 10 0 DEAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382730906 540123924 /nfs/dbraw/zinc/12/39/24/540123924.db2.gz BANYIKHONHKCKN-FUHWJXTLSA-N 2 0 317.477 2.483 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000398065383 540140590 /nfs/dbraw/zinc/14/05/90/540140590.db2.gz HLLNVASRKYBADY-GDBMZVCRSA-N 2 0 301.434 2.037 10 0 DEAERP C[C@@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000182052337 356107291 /nfs/dbraw/zinc/10/72/91/356107291.db2.gz UXHZFPLDDVZRJD-QGZVFWFLSA-N 2 0 303.494 2.481 10 0 DEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000263283823 356344617 /nfs/dbraw/zinc/34/46/17/356344617.db2.gz SZHZDJJEMNNOQC-RFSXOUPVSA-N 2 0 321.509 2.390 10 0 DEAERP C[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000181205947 199265536 /nfs/dbraw/zinc/26/55/36/199265536.db2.gz YWIMKDFPPPIQRH-MCIONIFRSA-N 2 0 305.422 2.224 10 0 DEAERP C[C@]([NH3+])(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237657741 291333107 /nfs/dbraw/zinc/33/31/07/291333107.db2.gz IEDIVLMOUMLBLY-LJQANCHMSA-N 2 0 315.461 2.195 10 0 DEAERP c1cc(OCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc2c1OCO2 ZINC000631886513 368441994 /nfs/dbraw/zinc/44/19/94/368441994.db2.gz IGUBFAAKIQMPJT-ZBFHGGJFSA-N 2 0 318.417 2.258 10 0 DEAERP CSC1(C[NH3+])CC[NH+]([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094364767 193365682 /nfs/dbraw/zinc/36/56/82/193365682.db2.gz RCELGEAJGCTUJC-KBPBESRZSA-N 2 0 316.536 2.197 10 0 DEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+])c1cccs1 ZINC000094752529 193395448 /nfs/dbraw/zinc/39/54/48/193395448.db2.gz ADPXMHVSDKEXDG-MELADBBJSA-N 2 0 309.479 2.375 10 0 DEAERP C[N@H+](CCCCO)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915635 194168277 /nfs/dbraw/zinc/16/82/77/194168277.db2.gz BCNIIWMVONWFJQ-IBGZPJMESA-N 2 0 320.477 2.136 10 0 DEAERP CCC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000062899770 184258984 /nfs/dbraw/zinc/25/89/84/184258984.db2.gz JDSXIPVUYCEWNT-CZUORRHYSA-N 2 0 309.479 2.247 10 0 DEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000062964764 184262855 /nfs/dbraw/zinc/26/28/55/184262855.db2.gz QEYNCNSBWDVHSF-KGLIPLIRSA-N 2 0 301.356 2.341 10 0 DEAERP CCC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@H+](C)CCOC(C)C ZINC000157769264 197213513 /nfs/dbraw/zinc/21/35/13/197213513.db2.gz HWCFVOJTNIZMEU-IAGOWNOFSA-N 2 0 300.487 2.264 10 0 DEAERP NC1=[NH+]C[C@@]2(CC[N@@H+]3CCC[C@@H]3C2)N1c1cccc(Cl)c1 ZINC000157243905 197172744 /nfs/dbraw/zinc/17/27/44/197172744.db2.gz QTBOYEUXVWBOOH-ZBFHGGJFSA-N 2 0 304.825 2.472 10 0 DEAERP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C)c1C(N)=S ZINC000156698184 197133690 /nfs/dbraw/zinc/13/36/90/197133690.db2.gz TVHUGUBIQHEDCQ-ZDUSSCGKSA-N 2 0 306.479 2.253 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156277656 197101420 /nfs/dbraw/zinc/10/14/20/197101420.db2.gz IFPAJPBDVDYJFO-SJORKVTESA-N 2 0 324.513 2.377 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000542727543 285245899 /nfs/dbraw/zinc/24/58/99/285245899.db2.gz VDGXDRFPMXEXIT-UHFFFAOYSA-N 2 0 320.481 2.102 10 0 DEAERP C[N@@H+]1CC[C@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC000248091355 257109354 /nfs/dbraw/zinc/10/93/54/257109354.db2.gz VQIFAGNKWSMTDW-PKOBYXMFSA-N 2 0 315.461 2.262 10 0 DEAERP O=C(C[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163854601 132123406 /nfs/dbraw/zinc/12/34/06/132123406.db2.gz MBFLPVULOZIXMA-QGZVFWFLSA-N 2 0 301.434 2.041 10 0 DEAERP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)NC1CCCC1 ZINC000052441493 132487322 /nfs/dbraw/zinc/48/73/22/132487322.db2.gz TUSBKPPTXCKNPJ-UHFFFAOYSA-N 2 0 307.482 2.243 10 0 DEAERP COC(=O)[C@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368585911 133279386 /nfs/dbraw/zinc/27/93/86/133279386.db2.gz UYVSGMCMXDWTEQ-NXHRZFHOSA-N 2 0 316.445 2.249 10 0 DEAERP Cc1cnn(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000123942057 144704935 /nfs/dbraw/zinc/70/49/35/144704935.db2.gz GYGUPRHMZITQKY-INIZCTEOSA-N 2 0 316.449 2.483 10 0 DEAERP C[C@@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000248997012 145175134 /nfs/dbraw/zinc/17/51/34/145175134.db2.gz PFMNHYJJMXRGQQ-VUCRHFMTSA-N 3 0 309.498 2.091 10 0 DEAERP Cn1c2ccc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cc2sc1=O ZINC000261792208 145226885 /nfs/dbraw/zinc/22/68/85/145226885.db2.gz GGCLDKUQLYQMMR-GFCCVEGCSA-N 2 0 305.447 2.161 10 0 DEAERP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261920502 145241745 /nfs/dbraw/zinc/24/17/45/145241745.db2.gz KJYFJLMLQKYMJZ-NSHDSACASA-N 2 0 305.447 2.159 10 0 DEAERP C[C@]1(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261970117 145247905 /nfs/dbraw/zinc/24/79/05/145247905.db2.gz IFEZFUHVUDBVSV-SFHVURJKSA-N 2 0 322.497 2.082 10 0 DEAERP CCN(C(=O)[C@H](C)C[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262469072 145285834 /nfs/dbraw/zinc/28/58/34/145285834.db2.gz YBAGAEXSJXBNSQ-INMHGKMJSA-N 2 0 303.450 2.265 10 0 DEAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263189835 145334246 /nfs/dbraw/zinc/33/42/46/145334246.db2.gz HSEPDZNCROWEGO-XGXHKWSGSA-N 2 0 318.461 2.280 10 0 DEAERP CC[NH+](CC)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073437453 401718019 /nfs/dbraw/zinc/71/80/19/401718019.db2.gz AUVPHLQPGLFPIU-MQVJKMGUSA-N 2 0 310.486 2.033 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000128307341 401771324 /nfs/dbraw/zinc/77/13/24/401771324.db2.gz DEOIXQBACOXTDU-OAGGEKHMSA-N 2 0 312.502 2.088 10 0 DEAERP C[NH+](C)CCC[NH2+]CCCCCCCC[NH2+]CCC[NH+](C)C ZINC000028769270 401853509 /nfs/dbraw/zinc/85/35/09/401853509.db2.gz MWFBQAYGRZNMLJ-UHFFFAOYSA-N 4 0 314.562 2.410 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000034532556 401892959 /nfs/dbraw/zinc/89/29/59/401892959.db2.gz YGBZVBILLZITTB-ROUUACIJSA-N 2 0 315.461 2.252 10 0 DEAERP C[C@@H]([NH2+]Cc1ccnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000152186643 402080309 /nfs/dbraw/zinc/08/03/09/402080309.db2.gz NFLZFWMYADHVKH-CQSZACIVSA-N 2 0 302.422 2.211 10 0 DEAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236713586 402376952 /nfs/dbraw/zinc/37/69/52/402376952.db2.gz FNBMVRKPZFIMSS-SJORKVTESA-N 2 0 309.498 2.378 10 0 DEAERP C[NH+](C)CC1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000178910669 402553985 /nfs/dbraw/zinc/55/39/85/402553985.db2.gz SJYVOMBLYXKKFQ-UHFFFAOYSA-N 2 0 324.513 2.282 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246383603 402528116 /nfs/dbraw/zinc/52/81/16/402528116.db2.gz IMGFBEGYCBZNKL-ZACQAIPSSA-N 2 0 324.513 2.090 10 0 DEAERP C[C@@H]1C[C@@H](Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[N@@H+]1C ZINC000179743400 402599592 /nfs/dbraw/zinc/59/95/92/402599592.db2.gz ULZVKVHXZCHWBT-CABCVRRESA-N 2 0 318.465 2.449 10 0 DEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249811221 402642439 /nfs/dbraw/zinc/64/24/39/402642439.db2.gz YVMNIDIUDCOISR-DLBZAZTESA-N 2 0 318.465 2.073 10 0 DEAERP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173669343 402707407 /nfs/dbraw/zinc/70/74/07/402707407.db2.gz UFCPMOALFPLLQL-WBVHZDCISA-N 2 0 324.513 2.231 10 0 DEAERP c1nc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814012 402717695 /nfs/dbraw/zinc/71/76/95/402717695.db2.gz PZKSCXJVZZNGEA-HOTGVXAUSA-N 2 0 302.466 2.398 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000174195305 402731374 /nfs/dbraw/zinc/73/13/74/402731374.db2.gz PCZCJBJUAGXXIH-MRXNPFEDSA-N 2 0 312.502 2.279 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775537 402756756 /nfs/dbraw/zinc/75/67/56/402756756.db2.gz DXKSLLPEGUZQFI-PBHICJAKSA-N 2 0 321.440 2.104 10 0 DEAERP C[C@H]1CCC[C@](CNC(=O)c2c[nH+]ccc2N(C)C)([NH+](C)C)C1 ZINC000183440315 402767692 /nfs/dbraw/zinc/76/76/92/402767692.db2.gz XXCXDRTXRSWWOC-KSSFIOAISA-N 2 0 318.465 2.388 10 0 DEAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000195222460 402837712 /nfs/dbraw/zinc/83/77/12/402837712.db2.gz BVQGOTBTTWJRLD-KRWDZBQOSA-N 2 0 316.449 2.450 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000194128969 402785088 /nfs/dbraw/zinc/78/50/88/402785088.db2.gz YVMNIDIUDCOISR-SJORKVTESA-N 2 0 318.465 2.073 10 0 DEAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516264 402849875 /nfs/dbraw/zinc/84/98/75/402849875.db2.gz HXCOHXJBWUNSLI-JKSUJKDBSA-N 2 0 318.465 2.381 10 0 DEAERP COc1ccccc1/C=C\C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349831092 286491053 /nfs/dbraw/zinc/49/10/53/286491053.db2.gz TZZSMDHNIXCZFS-BQLWYNFJSA-N 2 0 317.477 2.324 10 0 DEAERP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000580468025 405624699 /nfs/dbraw/zinc/62/46/99/405624699.db2.gz KUWHEGFBGXZEIT-AKHDSKFASA-N 2 0 318.461 2.169 10 0 DEAERP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851384 405713865 /nfs/dbraw/zinc/71/38/65/405713865.db2.gz JLNGLXKSNNERJZ-NVXWUHKLSA-N 2 0 303.450 2.285 10 0 DEAERP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570918412 406454676 /nfs/dbraw/zinc/45/46/76/406454676.db2.gz IBRIRFVNDXTUMY-WDSOQIARSA-N 2 0 301.478 2.486 10 0 DEAERP CN(CCC[NH+](C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000527087287 406580548 /nfs/dbraw/zinc/58/05/48/406580548.db2.gz BRLLRTVTCYWCIH-UHFFFAOYSA-N 2 0 306.454 2.206 10 0 DEAERP CCOCC[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC000153805745 424860109 /nfs/dbraw/zinc/86/01/09/424860109.db2.gz HGOPHEMOSAJZFC-SFHVURJKSA-N 2 0 311.514 2.151 10 0 DEAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390700833 424917810 /nfs/dbraw/zinc/91/78/10/424917810.db2.gz CQFPQIJDQFJXOE-ROUUACIJSA-N 2 0 317.477 2.388 10 0 DEAERP C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000407360408 424932172 /nfs/dbraw/zinc/93/21/72/424932172.db2.gz HEJSZZPGMDHDAC-FHLIZLRMSA-N 2 0 315.461 2.154 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453400394 274355125 /nfs/dbraw/zinc/35/51/25/274355125.db2.gz MAESMQUNGPNMOH-AYBZRNKSSA-N 2 0 315.461 2.155 10 0 DEAERP CC1CCC([NH+]2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000236788861 278522467 /nfs/dbraw/zinc/52/24/67/278522467.db2.gz PMDRYWPMGWIIBH-YZUHTNEWSA-N 2 0 307.482 2.227 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000176170887 279297677 /nfs/dbraw/zinc/29/76/77/279297677.db2.gz RJNFQNYCGPTUPV-QGZVFWFLSA-N 2 0 324.513 2.234 10 0 DEAERP C[C@@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249098073 525014906 /nfs/dbraw/zinc/01/49/06/525014906.db2.gz UIIOSEYSKQWTLX-RLHTVVPMSA-N 2 0 315.461 2.282 10 0 DEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2cccc(F)c2)CC1 ZINC000105862591 525789301 /nfs/dbraw/zinc/78/93/01/525789301.db2.gz QTLUCBXUPQXICY-OAHLLOKOSA-N 2 0 324.440 2.229 10 0 DEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190533931 536359013 /nfs/dbraw/zinc/35/90/13/536359013.db2.gz NOZUPHJRWQJGSW-OALUTQOASA-N 2 0 323.525 2.030 10 0 DEAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261820074 636557337 /nfs/dbraw/zinc/55/73/37/636557337.db2.gz XUJAHPVOXHRSMX-SUMWQHHRSA-N 2 0 305.397 2.318 10 0 DEAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000742242131 638054036 /nfs/dbraw/zinc/05/40/36/638054036.db2.gz SGTJWOOEGSWXIV-MRXNPFEDSA-N 2 0 315.461 2.497 10 0 DEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000380925001 685399601 /nfs/dbraw/zinc/39/96/01/685399601.db2.gz BRDXILJRZSSCRR-RTBURBONSA-N 3 0 319.493 2.242 10 0 DEAERP CO[C@@](C)(CO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716634425 792982954 /nfs/dbraw/zinc/98/29/54/792982954.db2.gz AVZVBDJXJYSYGJ-ZSYWTGECSA-N 2 0 318.461 2.027 10 0 DEAERP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000721944800 1085025355 /nfs/dbraw/zinc/02/53/55/1085025355.db2.gz UMTBYCFGXDIAMS-FXUDXRNXSA-N 2 0 323.481 2.458 10 0 DEAERP C[N@@H+]1CCC[C@@H](C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000701868891 1086388374 /nfs/dbraw/zinc/38/83/74/1086388374.db2.gz VEODQVHSJIBCCG-SYJJWHGVSA-N 2 0 323.481 2.317 10 0 DEAERP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711250972 1087036004 /nfs/dbraw/zinc/03/60/04/1087036004.db2.gz OSNPMDRUGFTVEL-IRXDYDNUSA-N 2 0 315.461 2.013 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1C[C@H](C[NH3+])c1ccccc1 ZINC000163602290 197640976 /nfs/dbraw/zinc/64/09/76/197640976.db2.gz FTHQSLQBEPKWTM-CQSZACIVSA-N 2 0 306.841 2.383 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000079116336 185159367 /nfs/dbraw/zinc/15/93/67/185159367.db2.gz ABNJLPKDSDCPIU-OAHLLOKOSA-N 2 0 312.502 2.328 10 0 DEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000082539578 185190929 /nfs/dbraw/zinc/19/09/29/185190929.db2.gz YRUWWZRDLPOKCK-SNVBAGLBSA-N 2 0 306.273 2.004 10 0 DEAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1ccccc1Br ZINC000087912782 185237288 /nfs/dbraw/zinc/23/72/88/185237288.db2.gz RLPHCWGJRKAACT-AWEZNQCLSA-N 2 0 314.271 2.380 10 0 DEAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1ccccc1Br ZINC000087912783 185237359 /nfs/dbraw/zinc/23/73/59/185237359.db2.gz RLPHCWGJRKAACT-CQSZACIVSA-N 2 0 314.271 2.380 10 0 DEAERP [NH3+]C[C@]1(Nc2cccc(Br)c2)C[NH+]2CCC1CC2 ZINC000087915239 185237483 /nfs/dbraw/zinc/23/74/83/185237483.db2.gz LWAFJCNGYZMBHG-AWEZNQCLSA-N 2 0 310.239 2.284 10 0 DEAERP C[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)CCC(F)(F)F ZINC000088437566 185250371 /nfs/dbraw/zinc/25/03/71/185250371.db2.gz AYYTZGDEEVEXPW-UHFFFAOYSA-N 2 0 307.364 2.050 10 0 DEAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2cncnc2)CC1 ZINC000180039515 539643000 /nfs/dbraw/zinc/64/30/00/539643000.db2.gz CKHDKMYKSRMLKW-UHFFFAOYSA-N 2 0 306.454 2.047 10 0 DEAERP C[NH2+][C@H](C[C@H]1C[N@H+](C)CCN1C)c1cc(Cl)ccc1OC ZINC000149595471 186051964 /nfs/dbraw/zinc/05/19/64/186051964.db2.gz YFIUIWAFSIIQHH-DZGCQCFKSA-N 2 0 311.857 2.245 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000152419267 186070712 /nfs/dbraw/zinc/07/07/12/186070712.db2.gz YSJAVPPKEXXTBQ-BBWFWOEESA-N 2 0 324.513 2.088 10 0 DEAERP C[NH+](C)CCn1ncc(Cl)c1[C@@](C)(F)[C@@H]1CCC[NH2+]C1 ZINC000164005448 186145250 /nfs/dbraw/zinc/14/52/50/186145250.db2.gz CGASUWKOMPSOGR-RISCZKNCSA-N 2 0 302.825 2.282 10 0 DEAERP [NH3+]C1CC[NH+]([C@H]2CCN(Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000164344316 186157095 /nfs/dbraw/zinc/15/70/95/186157095.db2.gz UVTJQCGMZZNADD-AWEZNQCLSA-N 2 0 311.832 2.477 10 0 DEAERP COc1ccccc1N1CC[NH+](C2C[C@H]3CC([NH3+])C[C@@H]3C2)CC1 ZINC000038296391 354167722 /nfs/dbraw/zinc/16/77/22/354167722.db2.gz RYFNTWUMDXXCPE-NUWOQIAWSA-N 2 0 315.461 2.333 10 0 DEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000066243184 354705741 /nfs/dbraw/zinc/70/57/41/354705741.db2.gz JKDDCESFGSKROM-OAHLLOKOSA-N 2 0 300.450 2.500 10 0 DEAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591552 239033471 /nfs/dbraw/zinc/03/34/71/239033471.db2.gz DLKKCEAQOGXGGN-PKOBYXMFSA-N 2 0 319.493 2.065 10 0 DEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1Br ZINC000091313776 193038276 /nfs/dbraw/zinc/03/82/76/193038276.db2.gz YBACOHWWXUBWMU-ZDUSSCGKSA-N 2 0 313.239 2.259 10 0 DEAERP C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)C1 ZINC000091392791 193051050 /nfs/dbraw/zinc/05/10/50/193051050.db2.gz PQIUBEMUSKOWOT-RISCZKNCSA-N 2 0 301.356 2.130 10 0 DEAERP CC1(C)[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1OCc1ccccc1 ZINC000629389023 367188214 /nfs/dbraw/zinc/18/82/14/367188214.db2.gz HZDRPZZQYSAXNW-SJORKVTESA-N 2 0 318.461 2.468 10 0 DEAERP CC[NH2+][C@H]1[C@@H](C[N@H+](CCCOC)CCOC)CCC1(C)C ZINC000094317438 193359208 /nfs/dbraw/zinc/35/92/08/193359208.db2.gz VJTSVEOXUXTEPZ-CVEARBPZSA-N 2 0 300.487 2.386 10 0 DEAERP CCC[N@@H+](Cc1csc(NC(C)=O)n1)CC1CC[NH2+]CC1 ZINC000094025685 193340223 /nfs/dbraw/zinc/34/02/23/193340223.db2.gz QOCNAWRAZATCGA-UHFFFAOYSA-N 2 0 310.467 2.313 10 0 DEAERP [NH3+]CCCCC[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051887 193341850 /nfs/dbraw/zinc/34/18/50/193341850.db2.gz SOROKASXQIEORR-UHFFFAOYSA-N 2 0 300.809 2.125 10 0 DEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[NH2+]CCc1cccs1 ZINC000094443939 193370361 /nfs/dbraw/zinc/37/03/61/193370361.db2.gz FMRIQFDEAYDQOG-JKSUJKDBSA-N 2 0 307.507 2.439 10 0 DEAERP C[C@@H]1SCCC[C@@]1(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000094479200 193373017 /nfs/dbraw/zinc/37/30/17/193373017.db2.gz KDWATKSQKWYTSM-RDJZCZTQSA-N 2 0 311.539 2.407 10 0 DEAERP CC(C)[C@H](C[NH2+][C@@H]1CSCC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000094488513 193373494 /nfs/dbraw/zinc/37/34/94/193373494.db2.gz FQIDWBBAWQMBNV-HOTGVXAUSA-N 2 0 313.555 2.380 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453400397 245112630 /nfs/dbraw/zinc/11/26/30/245112630.db2.gz MAESMQUNGPNMOH-SZVBFZGTSA-N 2 0 315.461 2.155 10 0 DEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000019861921 182158394 /nfs/dbraw/zinc/15/83/94/182158394.db2.gz KOKRMCHWZKDJHF-AWEZNQCLSA-N 2 0 312.255 2.086 10 0 DEAERP CCC[NH+]1CCC(O)([C@@H](C[NH+](C)C)c2ccc(O)cc2)CC1 ZINC000034891777 182741622 /nfs/dbraw/zinc/74/16/22/182741622.db2.gz LBIKMLZPRHUIRE-KRWDZBQOSA-N 2 0 306.450 2.274 10 0 DEAERP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042951823 183320411 /nfs/dbraw/zinc/32/04/11/183320411.db2.gz OKEHUKYXJSQSLG-RISCZKNCSA-N 2 0 312.255 2.085 10 0 DEAERP CC[NH+](CC)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000043004579 183327135 /nfs/dbraw/zinc/32/71/35/183327135.db2.gz WWAPIGDKPOYNKV-KRWDZBQOSA-N 2 0 320.481 2.320 10 0 DEAERP NNc1ccc(Cl)c(CN2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000061639114 184180006 /nfs/dbraw/zinc/18/00/06/184180006.db2.gz NTBGOWZDMYXRTC-UHFFFAOYSA-N 2 0 309.845 2.081 10 0 DEAERP C[NH+](C)[C@@H]1CCN(c2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)C1 ZINC000062965899 184263175 /nfs/dbraw/zinc/26/31/75/184263175.db2.gz GKVRRADKDLOIHV-SNVBAGLBSA-N 2 0 300.328 2.130 10 0 DEAERP C[NH+](C)CCn1ncc(Br)c1[C@@H]([NH3+])C1CCCC1 ZINC000158834414 197305086 /nfs/dbraw/zinc/30/50/86/197305086.db2.gz IDZDFXGQFZNVQZ-LBPRGKRZSA-N 2 0 315.259 2.397 10 0 DEAERP CC[NH+](CC)[C@@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccco1 ZINC000541819670 285186438 /nfs/dbraw/zinc/18/64/38/285186438.db2.gz AFFLSGAXPRAAOI-HNNXBMFYSA-N 2 0 324.469 2.256 10 0 DEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000173905648 285243724 /nfs/dbraw/zinc/24/37/24/285243724.db2.gz QFKJAFPKKRZTSO-QGZVFWFLSA-N 2 0 324.513 2.377 10 0 DEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)[C@H](C)C1 ZINC000184240993 285365850 /nfs/dbraw/zinc/36/58/50/285365850.db2.gz DFFUMKLGBDUUQF-HZPDHXFCSA-N 2 0 309.498 2.474 10 0 DEAERP c1cc2c(cc1C[N@@H+]1CCS[C@@H]3COCC[C@@H]31)C[NH2+]CC2 ZINC000564803585 292111769 /nfs/dbraw/zinc/11/17/69/292111769.db2.gz KGJPRVOUIBQCSX-DLBZAZTESA-N 2 0 304.459 2.039 10 0 DEAERP O=C(c1ccsc1)N1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000193475766 145086392 /nfs/dbraw/zinc/08/63/92/145086392.db2.gz SXOPKJSQKWIZTC-UHFFFAOYSA-N 2 0 321.490 2.382 10 0 DEAERP O=C(c1ccccc1)N1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000193478353 145086596 /nfs/dbraw/zinc/08/65/96/145086596.db2.gz WIFULEIEOLMJMP-UHFFFAOYSA-N 2 0 315.461 2.320 10 0 DEAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000246859782 145116838 /nfs/dbraw/zinc/11/68/38/145116838.db2.gz SHSGBYKDYIUQMK-MGNMYUMUSA-N 2 0 322.497 2.033 10 0 DEAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H](C)C1 ZINC000246916452 145119176 /nfs/dbraw/zinc/11/91/76/145119176.db2.gz GMXJKLCXDIAOMF-WMLDXEAASA-N 2 0 319.449 2.204 10 0 DEAERP C[C@@H]1CCC[N@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247396411 145135936 /nfs/dbraw/zinc/13/59/36/145135936.db2.gz HESZLPJQCNEEPK-MGNMYUMUSA-N 2 0 322.497 2.033 10 0 DEAERP CC(C)[NH+](CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000247522680 145140517 /nfs/dbraw/zinc/14/05/17/145140517.db2.gz ZEZASMBXGIIOLP-HZPDHXFCSA-N 2 0 312.502 2.133 10 0 DEAERP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249869256 145190891 /nfs/dbraw/zinc/19/08/91/145190891.db2.gz IZNZTKDCPARKBS-ZFWWWQNUSA-N 2 0 304.438 2.039 10 0 DEAERP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262086780 145260609 /nfs/dbraw/zinc/26/06/09/145260609.db2.gz ULOVINYMXBVUDK-CRAIPNDOSA-N 2 0 316.449 2.040 10 0 DEAERP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)nc1 ZINC000262146690 145265956 /nfs/dbraw/zinc/26/59/56/145265956.db2.gz ZPBUTRLPPVOUSN-YJBOKZPZSA-N 2 0 316.449 2.040 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262364870 145279141 /nfs/dbraw/zinc/27/91/41/145279141.db2.gz JAZJEICMOPDLGT-WCVJEAGWSA-N 2 0 309.498 2.247 10 0 DEAERP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C(=O)OC(C)(C)C ZINC000310002946 145352238 /nfs/dbraw/zinc/35/22/38/145352238.db2.gz RSGXVWSSSDKVRR-AVOUXACISA-N 2 0 311.470 2.457 10 0 DEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000358657461 147174989 /nfs/dbraw/zinc/17/49/89/147174989.db2.gz COSLVXOFFINKPG-QGZVFWFLSA-N 2 0 322.497 2.058 10 0 DEAERP CC1=CC[NH+](CCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000358666208 147177702 /nfs/dbraw/zinc/17/77/02/147177702.db2.gz NEEGJFIMZJLXME-KRWDZBQOSA-N 2 0 322.497 2.154 10 0 DEAERP CO[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000359386934 147319267 /nfs/dbraw/zinc/31/92/67/147319267.db2.gz DCPWKERZAYJGLG-NEWSRXKRSA-N 2 0 318.461 2.292 10 0 DEAERP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269721 148224708 /nfs/dbraw/zinc/22/47/08/148224708.db2.gz OYGNYWWCUAYLHI-FUHWJXTLSA-N 2 0 311.433 2.183 10 0 DEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000077644738 401823096 /nfs/dbraw/zinc/82/30/96/401823096.db2.gz FKSJISHPUMNZAZ-MRXNPFEDSA-N 2 0 322.497 2.131 10 0 DEAERP C[C@H]([NH2+]Cc1ccnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000152186564 402080370 /nfs/dbraw/zinc/08/03/70/402080370.db2.gz NFLZFWMYADHVKH-AWEZNQCLSA-N 2 0 302.422 2.211 10 0 DEAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000123082019 402109651 /nfs/dbraw/zinc/10/96/51/402109651.db2.gz YIFDHXMQHBUOAN-KZNAEPCWSA-N 2 0 320.477 2.458 10 0 DEAERP C[C@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000122148068 402063400 /nfs/dbraw/zinc/06/34/00/402063400.db2.gz LFUKBRIIUKSAAX-SLTXQBBLSA-N 2 0 322.497 2.031 10 0 DEAERP CC[N@H+](CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000101977100 402159710 /nfs/dbraw/zinc/15/97/10/402159710.db2.gz BNAUXYQEQVWPHC-QGZVFWFLSA-N 2 0 318.465 2.073 10 0 DEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000124147276 402166057 /nfs/dbraw/zinc/16/60/57/402166057.db2.gz ZJOVANPTOQWNDL-QGZVFWFLSA-N 2 0 324.513 2.090 10 0 DEAERP C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+](C)C1CC1 ZINC000107846988 402241631 /nfs/dbraw/zinc/24/16/31/402241631.db2.gz XEONCICDCHSYCI-RDJZCZTQSA-N 2 0 322.497 2.129 10 0 DEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105125103 402205827 /nfs/dbraw/zinc/20/58/27/402205827.db2.gz KLJFILVKUUMPDJ-HOTGVXAUSA-N 2 0 312.502 2.136 10 0 DEAERP C[NH+](C)CCOCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000226744895 402329645 /nfs/dbraw/zinc/32/96/45/402329645.db2.gz GTISMIXFPYSUKL-UHFFFAOYSA-N 2 0 319.218 2.256 10 0 DEAERP C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000163574035 402452829 /nfs/dbraw/zinc/45/28/29/402452829.db2.gz AMOIGRSVHAMYAK-MAUKXSAKSA-N 2 0 315.461 2.409 10 0 DEAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000165864663 402479277 /nfs/dbraw/zinc/47/92/77/402479277.db2.gz IPJRKXNUHHJJAH-ULQDDVLXSA-N 2 0 307.482 2.145 10 0 DEAERP CC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245682410 402479481 /nfs/dbraw/zinc/47/94/81/402479481.db2.gz VPICASQSCQVJDY-IRXDYDNUSA-N 2 0 318.465 2.073 10 0 DEAERP Cc1cc(C)n2c(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cnc2n1 ZINC000245691071 402480090 /nfs/dbraw/zinc/48/00/90/402480090.db2.gz ARVZAZJLPXQQJE-RDJZCZTQSA-N 2 0 313.449 2.262 10 0 DEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246021828 402504453 /nfs/dbraw/zinc/50/44/53/402504453.db2.gz OTJRRYAHTMCVDH-BRWVUGGUSA-N 2 0 324.513 2.090 10 0 DEAERP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171244010 402570319 /nfs/dbraw/zinc/57/03/19/402570319.db2.gz DMRVIUREFBCZCP-UHFFFAOYSA-N 2 0 324.513 2.378 10 0 DEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000247535670 402571372 /nfs/dbraw/zinc/57/13/72/402571372.db2.gz XYZKXULLXAJXDV-ZFWWWQNUSA-N 2 0 322.497 2.174 10 0 DEAERP C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000179142042 402575768 /nfs/dbraw/zinc/57/57/68/402575768.db2.gz FQLSCUOBNHXNLE-SFHVURJKSA-N 2 0 315.461 2.252 10 0 DEAERP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000179143244 402575893 /nfs/dbraw/zinc/57/58/93/402575893.db2.gz JOUIURYBQDOXNV-QGZVFWFLSA-N 2 0 315.461 2.109 10 0 DEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000170757478 402521162 /nfs/dbraw/zinc/52/11/62/402521162.db2.gz VNEMZNUDEVWKOF-WBVHZDCISA-N 2 0 320.481 2.319 10 0 DEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](CCC[NH+]3CCCC3)CC2)C1 ZINC000170793963 402526149 /nfs/dbraw/zinc/52/61/49/402526149.db2.gz GJQPBTYHMCUXHR-QGZVFWFLSA-N 2 0 321.509 2.443 10 0 DEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246362025 402527514 /nfs/dbraw/zinc/52/75/14/402527514.db2.gz GQLWYZVXMYHXIL-OWCLPIDISA-N 2 0 312.502 2.088 10 0 DEAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCNC1=O ZINC000246518992 402534541 /nfs/dbraw/zinc/53/45/41/402534541.db2.gz RCYYRSBMRXGORH-YOEHRIQHSA-N 2 0 301.434 2.039 10 0 DEAERP CC[C@@H](C(=O)NCCN1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000189416518 402536155 /nfs/dbraw/zinc/53/61/55/402536155.db2.gz ASSVKAPOMMNFGI-INIZCTEOSA-N 2 0 323.868 2.155 10 0 DEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246570484 402536825 /nfs/dbraw/zinc/53/68/25/402536825.db2.gz YLIPSFHFKLZDPK-ULQDDVLXSA-N 2 0 324.513 2.233 10 0 DEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248863890 402611658 /nfs/dbraw/zinc/61/16/58/402611658.db2.gz FSLOFASWHBOEAE-OAGGEKHMSA-N 2 0 312.502 2.136 10 0 DEAERP C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000190674757 402617713 /nfs/dbraw/zinc/61/77/13/402617713.db2.gz VESSFGYYVUTLLH-OAHLLOKOSA-N 2 0 322.449 2.431 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000171865612 402629716 /nfs/dbraw/zinc/62/97/16/402629716.db2.gz DKDKSSCQDFJUDL-CRAIPNDOSA-N 2 0 315.461 2.034 10 0 DEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249811227 402642356 /nfs/dbraw/zinc/64/23/56/402642356.db2.gz YVMNIDIUDCOISR-IAGOWNOFSA-N 2 0 318.465 2.073 10 0 DEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000249877657 402643012 /nfs/dbraw/zinc/64/30/12/402643012.db2.gz HDPKCJIKGKIFGU-BPQIPLTHSA-N 2 0 315.461 2.155 10 0 DEAERP CC(C)CCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182625410 402704853 /nfs/dbraw/zinc/70/48/53/402704853.db2.gz OUZXKBWKLUFQBC-DFNIBXOVSA-N 2 0 323.525 2.292 10 0 DEAERP CCCn1ccnc1CCCN(C)Cc1nnc(CC)n1C ZINC000191478376 402672879 /nfs/dbraw/zinc/67/28/79/402672879.db2.gz BZADSAQBBKLKDB-UHFFFAOYSA-N 2 0 304.442 2.049 10 0 DEAERP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000172818428 402677495 /nfs/dbraw/zinc/67/74/95/402677495.db2.gz VAXUTRIYCWCYAY-HOTGVXAUSA-N 2 0 307.482 2.419 10 0 DEAERP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192499100 402732967 /nfs/dbraw/zinc/73/29/67/402732967.db2.gz LKLLYGWZEAJXQB-AWEZNQCLSA-N 2 0 319.474 2.422 10 0 DEAERP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000175106270 402779525 /nfs/dbraw/zinc/77/95/25/402779525.db2.gz PBHJAFANJMCARD-PBHICJAKSA-N 2 0 303.450 2.303 10 0 DEAERP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734753 402813837 /nfs/dbraw/zinc/81/38/37/402813837.db2.gz FCGBRBMTKOBOGR-HNNXBMFYSA-N 2 0 309.498 2.488 10 0 DEAERP CC/C=C/CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000184520937 402848857 /nfs/dbraw/zinc/84/88/57/402848857.db2.gz DKKXSNZCFMFZBB-QWNKOJSDSA-N 2 0 309.498 2.070 10 0 DEAERP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000333277759 403714264 /nfs/dbraw/zinc/71/42/64/403714264.db2.gz LTTLMJNTOCKNMV-HOTGVXAUSA-N 2 0 302.422 2.025 10 0 DEAERP CC1=CC[NH+](CCNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358191396 404755670 /nfs/dbraw/zinc/75/56/70/404755670.db2.gz PBOVBVVHYKYFBL-IAGOWNOFSA-N 2 0 322.497 2.058 10 0 DEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361220381 404980384 /nfs/dbraw/zinc/98/03/84/404980384.db2.gz LOOSWHZJXRSKIY-QGZVFWFLSA-N 2 0 307.482 2.384 10 0 DEAERP CCCCOC[C@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389840639 405039934 /nfs/dbraw/zinc/03/99/34/405039934.db2.gz NIBKOUGFMULDDD-BHIYHBOVSA-N 2 0 320.477 2.274 10 0 DEAERP c1cc(N2CCCN(Cc3nc(CC4CC4)no3)CC2)cc[nH+]1 ZINC000639684715 406205236 /nfs/dbraw/zinc/20/52/36/406205236.db2.gz KJLKOVBXEUUFPI-UHFFFAOYSA-N 2 0 313.405 2.129 10 0 DEAERP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000635003089 406395313 /nfs/dbraw/zinc/39/53/13/406395313.db2.gz FTZNFNWKZVSGFV-FPAYPSAMSA-N 2 0 301.478 2.342 10 0 DEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638111668 406574955 /nfs/dbraw/zinc/57/49/55/406574955.db2.gz PENDMGSAMUNQHE-FUHWJXTLSA-N 2 0 313.445 2.014 10 0 DEAERP CC[NH2+][C@H](CCCS(=O)(=O)CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000129316883 196039035 /nfs/dbraw/zinc/03/90/35/196039035.db2.gz UCECBOMGCNKDSE-WTXIUTQJSA-N 2 0 316.511 2.052 10 0 DEAERP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423011551 230315469 /nfs/dbraw/zinc/31/54/69/230315469.db2.gz JEZOFRWNSFVBKC-BBWFWOEESA-N 2 0 300.450 2.407 10 0 DEAERP C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000382769466 424910293 /nfs/dbraw/zinc/91/02/93/424910293.db2.gz ZQBKDVDNDUBQQC-VQIMIIECSA-N 2 0 315.461 2.252 10 0 DEAERP CN(C(=O)C1(C[NH3+])CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390798866 424917404 /nfs/dbraw/zinc/91/74/04/424917404.db2.gz MMFOGPGJUIRHAF-KRWDZBQOSA-N 2 0 315.461 2.238 10 0 DEAERP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCCCCC1 ZINC000333926515 269005147 /nfs/dbraw/zinc/00/51/47/269005147.db2.gz VMAWQOMLLIKMKS-OAHLLOKOSA-N 2 0 310.486 2.082 10 0 DEAERP OC1(C[NH2+]C[C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397521331 269106466 /nfs/dbraw/zinc/10/64/66/269106466.db2.gz UYFSDYUADZQIHQ-KRWDZBQOSA-N 2 0 320.502 2.356 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000397940661 269107744 /nfs/dbraw/zinc/10/77/44/269107744.db2.gz ZOGSTZICUPKEQX-OALUTQOASA-N 2 0 319.493 2.385 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000398025339 269108079 /nfs/dbraw/zinc/10/80/79/269108079.db2.gz LSOILXROHBVISU-NEWSRXKRSA-N 2 0 301.478 2.486 10 0 DEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398073570 269108325 /nfs/dbraw/zinc/10/83/25/269108325.db2.gz DZQYHLYNMGHBCL-NZSAHSFTSA-N 2 0 319.493 2.241 10 0 DEAERP [NH2+]=C1Nc2nc3ccccc3n2C2(CC[NH+](C3CCCC3)CC2)N1 ZINC000069623713 274943296 /nfs/dbraw/zinc/94/32/96/274943296.db2.gz UGAJRAKKGSCXOL-UHFFFAOYSA-N 2 0 324.432 2.277 10 0 DEAERP CC1CC[NH+](C2CCC([NH2+]C3CCN(C(N)=O)CC3)CC2)CC1 ZINC000090775373 275935947 /nfs/dbraw/zinc/93/59/47/275935947.db2.gz GNWGEYKWADARRH-UHFFFAOYSA-N 2 0 322.497 2.162 10 0 DEAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c1 ZINC000495039343 276308402 /nfs/dbraw/zinc/30/84/02/276308402.db2.gz CHOKSFRFXLQYFU-INIZCTEOSA-N 2 0 303.450 2.285 10 0 DEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245951847 279264095 /nfs/dbraw/zinc/26/40/95/279264095.db2.gz ZNZZSZNTLDZSLX-IAGOWNOFSA-N 2 0 307.482 2.338 10 0 DEAERP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C12CCOCC2 ZINC000186321257 279814844 /nfs/dbraw/zinc/81/48/44/279814844.db2.gz DPEOUBKSWBGGTE-IAGOWNOFSA-N 2 0 310.482 2.282 10 0 DEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000173889235 281189423 /nfs/dbraw/zinc/18/94/23/281189423.db2.gz KBRMEWVKZDRGOZ-DLBZAZTESA-N 2 0 322.497 2.131 10 0 DEAERP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)(C)C ZINC000175014872 289182905 /nfs/dbraw/zinc/18/29/05/289182905.db2.gz CIJUUNDXAOTWPN-HOTGVXAUSA-N 2 0 322.497 2.009 10 0 DEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000261781591 295271749 /nfs/dbraw/zinc/27/17/49/295271749.db2.gz PJEPBHMMNFFLPI-IAGOWNOFSA-N 2 0 307.482 2.086 10 0 DEAERP c1nc([C@H]2CCCO2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576823700 326321969 /nfs/dbraw/zinc/32/19/69/326321969.db2.gz WWEAUROOLPGZRJ-VNHYZAJKSA-N 2 0 307.463 2.426 10 0 DEAERP CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388498866 333316950 /nfs/dbraw/zinc/31/69/50/333316950.db2.gz NMZZKNZJWHAGJY-MJGOQNOKSA-N 2 0 315.461 2.252 10 0 DEAERP CN(CC1([NH+](C)C)CCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000190018792 336258611 /nfs/dbraw/zinc/25/86/11/336258611.db2.gz FXLZOLDKSAJRJH-UHFFFAOYSA-N 2 0 324.513 2.233 10 0 DEAERP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000398014383 337303984 /nfs/dbraw/zinc/30/39/84/337303984.db2.gz FMYOHQURMCMFFS-NXHRZFHOSA-N 2 0 315.461 2.155 10 0 DEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000398163305 337307719 /nfs/dbraw/zinc/30/77/19/337307719.db2.gz SNDPNIFNMNESEG-SUMDDJOVSA-N 2 0 315.461 2.155 10 0 DEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCC(C)CC1 ZINC000246269265 524442465 /nfs/dbraw/zinc/44/24/65/524442465.db2.gz LQMFWKKWONLZJM-NCOADZHNSA-N 2 0 307.482 2.144 10 0 DEAERP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000123991036 535610678 /nfs/dbraw/zinc/61/06/78/535610678.db2.gz XZMUSZFLEKSPGT-UHFFFAOYSA-N 2 0 318.465 2.161 10 0 DEAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000222559184 636362641 /nfs/dbraw/zinc/36/26/41/636362641.db2.gz IRFCHLDHSWZTFU-GOSISDBHSA-N 2 0 315.461 2.352 10 0 DEAERP CC[NH+](CC)CC1CC[NH+](CN2CCSC2=S)CC1 ZINC000738070181 637387111 /nfs/dbraw/zinc/38/71/11/637387111.db2.gz CZZGZAVTQPHWNO-UHFFFAOYSA-N 2 0 301.525 2.331 10 0 DEAERP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(N)[nH+]1 ZINC000383980380 685409252 /nfs/dbraw/zinc/40/92/52/685409252.db2.gz LTOZHSRNKFUDJW-DLBZAZTESA-N 2 0 323.444 2.156 10 0 DEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246185247 685125292 /nfs/dbraw/zinc/12/52/92/685125292.db2.gz COVYNIOAOOYWFK-RZFLPCETSA-N 2 0 321.509 2.391 10 0 DEAERP