smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 ZINC000702793051 884203549 /nfs/dbraw/zinc/20/35/49/884203549.db2.gz XAKIPJCXSXXWDG-WBVHZDCISA-N 1 0 363.458 1.962 10 0 FDAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000702816648 884232627 /nfs/dbraw/zinc/23/26/27/884232627.db2.gz FRIRACIVRZTEMS-WMLDXEAASA-N 1 0 373.457 1.585 10 0 FDAERO Cc1cc(I)ccc1NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713816673 957663193 /nfs/dbraw/zinc/66/31/93/957663193.db2.gz KHWANYBWAAXOAP-ONGXEEELSA-N 1 0 360.195 1.902 10 0 FDAERO Cn1ncc(N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1=O ZINC000717087977 993109758 /nfs/dbraw/zinc/10/97/58/993109758.db2.gz BWXGYKXFUVWMJO-NKWVEPMBSA-N 1 0 355.158 1.259 10 0 FDAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190492766 178004547 /nfs/dbraw/zinc/00/45/47/178004547.db2.gz GZWPVFDMDXMYLK-MRXNPFEDSA-N 1 0 355.523 1.983 10 0 FDAERO CC(C)NC(=O)CCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190689883 178016204 /nfs/dbraw/zinc/01/62/04/178016204.db2.gz JZIMHRZMEWNHAS-KRWDZBQOSA-N 1 0 361.490 1.460 10 0 FDAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cnn(C)c2)C1 ZINC000190700294 178017027 /nfs/dbraw/zinc/01/70/27/178017027.db2.gz INBQVFDLWRZXNF-CQSZACIVSA-N 1 0 362.503 1.849 10 0 FDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1CCOC ZINC000190989398 178034557 /nfs/dbraw/zinc/03/45/57/178034557.db2.gz RBXOHRSKPLXYMA-IAGOWNOFSA-N 1 0 359.470 1.899 10 0 FDAERO CC[C@@H](C(=O)OC(C)(C)C)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000192002202 178081995 /nfs/dbraw/zinc/08/19/95/178081995.db2.gz OGGTZLUTOPMUKE-ROUUACIJSA-N 1 0 369.550 1.834 10 0 FDAERO Cc1noc2ncnc(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)c12 ZINC000192451335 178114934 /nfs/dbraw/zinc/11/49/34/178114934.db2.gz CLWIKDBFUYMHBH-HNNXBMFYSA-N 1 0 360.462 1.157 10 0 FDAERO CO[C@@H](C)CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000192933788 178139197 /nfs/dbraw/zinc/13/91/97/178139197.db2.gz CVABEZVUFKEXJM-MAUKXSAKSA-N 1 0 370.515 1.386 10 0 FDAERO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000193310708 178157752 /nfs/dbraw/zinc/15/77/52/178157752.db2.gz ZKJOZNNXESRSMO-UMNHJUIQSA-N 1 0 360.863 1.715 10 0 FDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)COc1ccc(I)cc1 ZINC000193496470 178166283 /nfs/dbraw/zinc/16/62/83/178166283.db2.gz ABJBJWVYXGWLBB-GXFFZTMASA-N 1 0 374.222 1.927 10 0 FDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000193525673 178167500 /nfs/dbraw/zinc/16/75/00/178167500.db2.gz PFGJCZBILPYFIT-WMLDXEAASA-N 1 0 355.442 1.782 10 0 FDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3ccnc(F)c3F)CC2)C1 ZINC000193561046 178169053 /nfs/dbraw/zinc/16/90/53/178169053.db2.gz OHHVAEZOZUACKV-CQSZACIVSA-N 1 0 368.428 1.227 10 0 FDAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000194579801 178216720 /nfs/dbraw/zinc/21/67/20/178216720.db2.gz LUTBAIKGIIEEIM-FQEVSTJZSA-N 1 0 357.498 1.739 10 0 FDAERO COc1cc(C)c(Br)cc1S(=O)(=O)NCCCC[NH3+] ZINC000194741623 178223041 /nfs/dbraw/zinc/22/30/41/178223041.db2.gz KGUAEWSLVHUHEZ-UHFFFAOYSA-N 1 0 351.266 1.783 10 0 FDAERO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000195171230 178244781 /nfs/dbraw/zinc/24/47/81/178244781.db2.gz WSSVXKRDJBVNOW-AWEZNQCLSA-N 1 0 369.387 1.989 10 0 FDAERO O=C(CSCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(F)cc1 ZINC000195311963 178255308 /nfs/dbraw/zinc/25/53/08/178255308.db2.gz KYZIAQXHCRPCPX-OAHLLOKOSA-N 1 0 351.447 1.804 10 0 FDAERO CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195314219 178255673 /nfs/dbraw/zinc/25/56/73/178255673.db2.gz AQRAPDIUXPKRPZ-MRXNPFEDSA-N 1 0 365.499 1.637 10 0 FDAERO Cc1sc2nc(CCC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)[nH]c(=O)c2c1C ZINC000195338428 178259383 /nfs/dbraw/zinc/25/93/83/178259383.db2.gz NYKFTIAFGKNZPO-CYBMUJFWSA-N 1 0 360.483 1.841 10 0 FDAERO CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236707774 178280098 /nfs/dbraw/zinc/28/00/98/178280098.db2.gz VCBZUURWGNXBSG-ZBFHGGJFSA-N 1 0 367.515 1.964 10 0 FDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000236900226 178287976 /nfs/dbraw/zinc/28/79/76/178287976.db2.gz RESHUDYLSRXQCL-DYVFJYSZSA-N 1 0 366.893 1.796 10 0 FDAERO CNS(=O)(=O)c1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)s1 ZINC000237359199 178310693 /nfs/dbraw/zinc/31/06/93/178310693.db2.gz OUNFEBAZDSJYNV-NSHDSACASA-N 1 0 359.517 1.298 10 0 FDAERO COc1ccc(C(=O)N[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)C)cc1 ZINC000237454556 178315633 /nfs/dbraw/zinc/31/56/33/178315633.db2.gz NMBQSDSINIUHCY-IXEWLPCDSA-N 1 0 359.470 1.849 10 0 FDAERO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237651425 178323667 /nfs/dbraw/zinc/32/36/67/178323667.db2.gz TVKNECWKIQPBTO-IXDOHACOSA-N 1 0 350.507 1.049 10 0 FDAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000237990519 178341945 /nfs/dbraw/zinc/34/19/45/178341945.db2.gz MBAHIXQKHVMLSG-SOUVJXGZSA-N 1 0 350.484 1.789 10 0 FDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000238079795 178347841 /nfs/dbraw/zinc/34/78/41/178347841.db2.gz WIUMPWSHNXINJK-ZBFHGGJFSA-N 1 0 365.499 1.718 10 0 FDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000237799549 178330994 /nfs/dbraw/zinc/33/09/94/178330994.db2.gz DNAIQFJLFIPPCL-KOLCDFICSA-N 1 0 354.336 1.538 10 0 FDAERO O=C([C@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000237821477 178331545 /nfs/dbraw/zinc/33/15/45/178331545.db2.gz RAWIXZGJDGAJHS-OAHLLOKOSA-N 1 0 370.266 1.984 10 0 FDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)c3cccnc3)CC2)C1 ZINC000245461262 178360741 /nfs/dbraw/zinc/36/07/41/178360741.db2.gz MUYHKVXJDGWQQH-MJGOQNOKSA-N 1 0 360.502 1.439 10 0 FDAERO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245754412 178379579 /nfs/dbraw/zinc/37/95/79/178379579.db2.gz YDCNHLLDILRFHH-BFQNTYOBSA-N 1 0 353.825 1.724 10 0 FDAERO CCOCC[N@@H+]1CCN(C(=O)N[C@H]2CCCn3ncnc32)C[C@@H]1CC ZINC000245858697 178384523 /nfs/dbraw/zinc/38/45/23/178384523.db2.gz BEPRVTOKBIVNQK-GJZGRUSLSA-N 1 0 350.467 1.255 10 0 FDAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)ncn1 ZINC000245910627 178387411 /nfs/dbraw/zinc/38/74/11/178387411.db2.gz JBSWECWMOCNJQE-RHSMWYFYSA-N 1 0 358.421 1.442 10 0 FDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000245603942 178370536 /nfs/dbraw/zinc/37/05/36/178370536.db2.gz LNXKEJIAXJDEML-KPFFTGBYSA-N 1 0 357.498 1.880 10 0 FDAERO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245935397 178390159 /nfs/dbraw/zinc/39/01/59/178390159.db2.gz KRFDJJQXYPJECJ-ZDUSSCGKSA-N 1 0 371.890 1.511 10 0 FDAERO CCOC(=O)C1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000245955327 178391904 /nfs/dbraw/zinc/39/19/04/178391904.db2.gz COZALDLWNCQEKO-SJORKVTESA-N 1 0 351.491 1.347 10 0 FDAERO Cc1nc(-c2cccc(NC(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)c2)n[nH]1 ZINC000246034454 178396971 /nfs/dbraw/zinc/39/69/71/178396971.db2.gz MPGZFCRBFKUMBA-STQMWFEESA-N 1 0 358.446 1.699 10 0 FDAERO CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246083186 178398975 /nfs/dbraw/zinc/39/89/75/178398975.db2.gz HSXFJYNCYZFOKB-GDBMZVCRSA-N 1 0 365.499 1.858 10 0 FDAERO CC[C@@H]1CN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246149000 178403472 /nfs/dbraw/zinc/40/34/72/178403472.db2.gz ZCWPBXVXSVQCNI-GOEBONIOSA-N 1 0 358.446 1.576 10 0 FDAERO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246291886 178414480 /nfs/dbraw/zinc/41/44/80/178414480.db2.gz BBXFDJOCAPRWPV-UWWQBHOKSA-N 1 0 354.878 1.732 10 0 FDAERO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248886310 178545481 /nfs/dbraw/zinc/54/54/81/178545481.db2.gz UOMAHRPLKLHABB-COPLHBTASA-N 1 0 359.879 1.264 10 0 FDAERO C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000249589925 178568907 /nfs/dbraw/zinc/56/89/07/178568907.db2.gz OYGAQNATKMAEGV-HACGYAERSA-N 1 0 373.469 1.977 10 0 FDAERO COc1ccc([C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C2CC2)cc1 ZINC000261848408 178631379 /nfs/dbraw/zinc/63/13/79/178631379.db2.gz AYTSMILFNRACOA-CEXWTWQISA-N 1 0 354.454 1.999 10 0 FDAERO CCCNS(=O)(=O)c1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000262041162 178661601 /nfs/dbraw/zinc/66/16/01/178661601.db2.gz YODOMFSLUIIQBB-UHFFFAOYSA-N 1 0 355.460 1.069 10 0 FDAERO Cc1ccc(-n2nc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)c3c2CCC3)c(C)c1 ZINC000262230373 178698528 /nfs/dbraw/zinc/69/85/28/178698528.db2.gz KEJZDRKAWRDKCI-RDTXWAMCSA-N 1 0 354.454 1.288 10 0 FDAERO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)n2)cc1 ZINC000262245261 178701881 /nfs/dbraw/zinc/70/18/81/178701881.db2.gz LDVRRZLMYBZHPB-HOTGVXAUSA-N 1 0 358.442 1.489 10 0 FDAERO COC[C@H]([NH3+])C(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000262266670 178706854 /nfs/dbraw/zinc/70/68/54/178706854.db2.gz JXLVCNJSEIWHGK-RYUDHWBXSA-N 1 0 359.220 1.143 10 0 FDAERO Cc1ccc(-n2cc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)c(C(C)(C)C)n2)cc1 ZINC000262397140 178731248 /nfs/dbraw/zinc/73/12/48/178731248.db2.gz YINJESCIRNZRNC-RHSMWYFYSA-N 1 0 356.470 1.788 10 0 FDAERO C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(F)cc1 ZINC000262614082 178765734 /nfs/dbraw/zinc/76/57/34/178765734.db2.gz XGROEXJTEWGVDY-CFVMTHIKSA-N 1 0 354.447 1.731 10 0 FDAERO COC(=O)c1nccc2c1cccc2S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000262791604 178800842 /nfs/dbraw/zinc/80/08/42/178800842.db2.gz RYNBBQRKRDUVQT-RISCZKNCSA-N 1 0 363.439 1.440 10 0 FDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000263263884 178887055 /nfs/dbraw/zinc/88/70/55/178887055.db2.gz RGIIZBDVKQOJPQ-ICSRJNTNSA-N 1 0 363.465 1.663 10 0 FDAERO Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000021534829 204753688 /nfs/dbraw/zinc/75/36/88/204753688.db2.gz LUOVABLCLMECBN-GOSISDBHSA-N 1 0 359.470 1.438 10 0 FDAERO CCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1 ZINC000064836115 205306036 /nfs/dbraw/zinc/30/60/36/205306036.db2.gz PKAUBPXZCFKHOJ-UHFFFAOYSA-N 1 0 365.437 1.341 10 0 FDAERO CN(C)c1nc2c(c(N(C)Cc3cc(-c4ccncc4)no3)n1)CC[NH2+]C2 ZINC000067802861 205392741 /nfs/dbraw/zinc/39/27/41/205392741.db2.gz VAJYIRREYCCEDN-UHFFFAOYSA-N 1 0 365.441 1.875 10 0 FDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000168778574 258264004 /nfs/dbraw/zinc/26/40/04/258264004.db2.gz YXHYUHAOWOZLPD-QFBILLFUSA-N 1 0 360.502 1.605 10 0 FDAERO COc1ccccc1CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172044451 258271570 /nfs/dbraw/zinc/27/15/70/258271570.db2.gz DMEOSOBSLHHSMJ-UHFFFAOYSA-N 1 0 357.458 1.846 10 0 FDAERO CC(C)C(=O)Nc1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000172047206 258271625 /nfs/dbraw/zinc/27/16/25/258271625.db2.gz AELGBMSMGVLNDU-QGZVFWFLSA-N 1 0 362.474 1.753 10 0 FDAERO CN1CCO[C@@H](CNC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000172434149 258276114 /nfs/dbraw/zinc/27/61/14/258276114.db2.gz 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355.442 1.378 10 0 FDAERO Cc1cc(=O)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nn1-c1ccccc1F ZINC000113224952 524641445 /nfs/dbraw/zinc/64/14/45/524641445.db2.gz YEODBUCMTBUHED-LSDHHAIUSA-N 1 0 370.428 1.989 10 0 FDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000113229271 524645486 /nfs/dbraw/zinc/64/54/86/524645486.db2.gz NYQAIBOCHKTVOT-CZUORRHYSA-N 1 0 363.483 1.317 10 0 FDAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc2n[nH]cc2c1)c1ccccc1 ZINC000174601620 524647198 /nfs/dbraw/zinc/64/71/98/524647198.db2.gz HOMRKOOCBLIFOW-QGZVFWFLSA-N 1 0 351.410 1.921 10 0 FDAERO CC[C@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC[N@@H+]1C[C@@H](C)O ZINC000174602573 524648038 /nfs/dbraw/zinc/64/80/38/524648038.db2.gz BBAUGIMZSNGRKJ-ZBFHGGJFSA-N 1 0 374.485 1.483 10 0 FDAERO Cn1cc([C@@H]2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C2)cn1 ZINC000174913517 524792997 /nfs/dbraw/zinc/79/29/97/524792997.db2.gz JZTUURWHNHVUPU-GOSISDBHSA-N 1 0 367.497 1.948 10 0 FDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)nc1 ZINC000114415547 524794171 /nfs/dbraw/zinc/79/41/71/524794171.db2.gz DEWNYKQKOZTBEW-CYBMUJFWSA-N 1 0 357.285 1.986 10 0 FDAERO CC(C)[NH+]1CCC(NC(=O)CN2CCC(Nc3cccnn3)CC2)CC1 ZINC000114456610 524804352 /nfs/dbraw/zinc/80/43/52/524804352.db2.gz XVTDDWOEOIOATD-UHFFFAOYSA-N 1 0 360.506 1.342 10 0 FDAERO CC[C@@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000123673648 524805039 /nfs/dbraw/zinc/80/50/39/524805039.db2.gz ITNXUEUXMJCGMC-QGZVFWFLSA-N 1 0 356.488 1.553 10 0 FDAERO CCc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000123685894 524807736 /nfs/dbraw/zinc/80/77/36/524807736.db2.gz YCUKHAJRPZDXDS-WFASDCNBSA-N 1 0 368.503 1.747 10 0 FDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000174959673 524813531 /nfs/dbraw/zinc/81/35/31/524813531.db2.gz NMNOHQNXXRSACX-JKSUJKDBSA-N 1 0 354.454 1.983 10 0 FDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000174979824 524818718 /nfs/dbraw/zinc/81/87/18/524818718.db2.gz ARBZSAYORQDBHZ-LSDHHAIUSA-N 1 0 362.474 1.326 10 0 FDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000174993007 524825508 /nfs/dbraw/zinc/82/55/08/524825508.db2.gz GEPGBAGGADJQHJ-HUUCEWRRSA-N 1 0 362.474 1.326 10 0 FDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nc2nc(N)nn2c1C ZINC000174991660 524825588 /nfs/dbraw/zinc/82/55/88/524825588.db2.gz RCPBTRZUQZZGSO-LSDHHAIUSA-N 1 0 371.489 1.341 10 0 FDAERO C[C@H](NC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[C@H]1CCCO1 ZINC000114588907 524834758 /nfs/dbraw/zinc/83/47/58/524834758.db2.gz CWHWMZSTNOKMJA-DOTOQJQBSA-N 1 0 361.490 1.542 10 0 FDAERO COc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)ccc1Br ZINC000175267224 524922394 /nfs/dbraw/zinc/92/23/94/524922394.db2.gz SWLCCKLDINGJKP-JTQLQIEISA-N 1 0 363.277 1.782 10 0 FDAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NCCCN1CCCCCC1=O ZINC000175340503 524950564 /nfs/dbraw/zinc/95/05/64/524950564.db2.gz ISIZKQYVWPZVPW-KRWDZBQOSA-N 1 0 352.523 1.311 10 0 FDAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000175385934 524954897 /nfs/dbraw/zinc/95/48/97/524954897.db2.gz BRDGVVVJEDNNEH-IBGZPJMESA-N 1 0 372.513 1.861 10 0 FDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000175400705 524958394 /nfs/dbraw/zinc/95/83/94/524958394.db2.gz XQCJDQAZDKYFNZ-AWEZNQCLSA-N 1 0 354.472 1.886 10 0 FDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000124380130 524971936 /nfs/dbraw/zinc/97/19/36/524971936.db2.gz OAUPKBKPWTYJFW-IAGOWNOFSA-N 1 0 362.522 1.809 10 0 FDAERO Cn1cc([C@@H]2[C@H](C(=O)NCC[N@H+](C)C3CCCC3)CCC(=O)N2C)cn1 ZINC000115371432 524977963 /nfs/dbraw/zinc/97/79/63/524977963.db2.gz FSJBJDCRESIEQQ-SJLPKXTDSA-N 1 0 361.490 1.320 10 0 FDAERO C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)Oc1cccc(F)c1 ZINC000176098617 525052652 /nfs/dbraw/zinc/05/26/52/525052652.db2.gz YYPYEJGEBPFARA-GDBMZVCRSA-N 1 0 353.438 1.739 10 0 FDAERO CC[NH+](CC)CCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115781304 525058281 /nfs/dbraw/zinc/05/82/81/525058281.db2.gz IHLBGRPGXNIFJR-UHFFFAOYSA-N 1 0 350.511 1.206 10 0 FDAERO COC[C@@](C)(CCO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000176375442 525090124 /nfs/dbraw/zinc/09/01/24/525090124.db2.gz GFPAHEVBTFHTRJ-UKRRQHHQSA-N 1 0 362.264 1.566 10 0 FDAERO Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000176625003 525156268 /nfs/dbraw/zinc/15/62/68/525156268.db2.gz AVGOHLWDIDBJEA-IMJJTQAJSA-N 1 0 364.494 1.639 10 0 FDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2nnc(-c3ccccc3)s2)CCO1 ZINC000153284299 525167435 /nfs/dbraw/zinc/16/74/35/525167435.db2.gz RAMKSNRMEHVZFF-CQSZACIVSA-N 1 0 361.471 1.677 10 0 FDAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1F ZINC000161920185 525189791 /nfs/dbraw/zinc/18/97/91/525189791.db2.gz CKDZDZHGNWLXDS-LDYMZIIASA-N 1 0 351.241 1.994 10 0 FDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000176864895 525189848 /nfs/dbraw/zinc/18/98/48/525189848.db2.gz YQNXMUYTDFLYCH-YJBOKZPZSA-N 1 0 365.518 1.186 10 0 FDAERO CC(C)c1noc(CCC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000176873616 525190334 /nfs/dbraw/zinc/19/03/34/525190334.db2.gz DPWJIUYQFDSZSA-CQSZACIVSA-N 1 0 352.479 1.677 10 0 FDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000176892597 525195416 /nfs/dbraw/zinc/19/54/16/525195416.db2.gz TYUSFFGVDLYVMJ-OAHLLOKOSA-N 1 0 371.481 1.622 10 0 FDAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)CS(=O)(=O)c1ccc(F)cc1F)C2 ZINC000100243849 525213279 /nfs/dbraw/zinc/21/32/79/525213279.db2.gz YEQMLBSOELXOFQ-XYYAHUGASA-N 1 0 358.410 1.480 10 0 FDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CCO1 ZINC000116787470 525216802 /nfs/dbraw/zinc/21/68/02/525216802.db2.gz IHXUCRUFJRJLAE-INIZCTEOSA-N 1 0 372.469 1.847 10 0 FDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSc1nnnn1C1CCCC1 ZINC000177008444 525219746 /nfs/dbraw/zinc/21/97/46/525219746.db2.gz KDFCHUCRCYKMRE-AWEZNQCLSA-N 1 0 352.508 1.823 10 0 FDAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CCO1 ZINC000116900412 525248756 /nfs/dbraw/zinc/24/87/56/525248756.db2.gz JYBONBFSSITYIG-LLVKDONJSA-N 1 0 368.377 1.536 10 0 FDAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000116901055 525249592 /nfs/dbraw/zinc/24/95/92/525249592.db2.gz OXYUAHUZIAFZKK-LLVKDONJSA-N 1 0 353.271 1.945 10 0 FDAERO COCC[S@](=O)Cc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000117020172 525267948 /nfs/dbraw/zinc/26/79/48/525267948.db2.gz OIIKBWNGDCVXKZ-UPCLLVRISA-N 1 0 353.488 1.750 10 0 FDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccnc(N3CCCCC3)c2)CCO1 ZINC000117029395 525270418 /nfs/dbraw/zinc/27/04/18/525270418.db2.gz XUQHGIZKZGXPBV-KRWDZBQOSA-N 1 0 361.490 1.544 10 0 FDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(N3CCCC3=O)c2)CCO1 ZINC000117033094 525272620 /nfs/dbraw/zinc/27/26/20/525272620.db2.gz KOXQHAZARRSSLT-QGZVFWFLSA-N 1 0 360.458 1.285 10 0 FDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2cc(Br)cs2)CCO1 ZINC000117034799 525272636 /nfs/dbraw/zinc/27/26/36/525272636.db2.gz HLNNJORDCCPVCF-NSHDSACASA-N 1 0 362.293 1.983 10 0 FDAERO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CCO1 ZINC000117038975 525275262 /nfs/dbraw/zinc/27/52/62/525275262.db2.gz QGLZMORNMHDPKX-CRAIPNDOSA-N 1 0 364.465 1.624 10 0 FDAERO CN(C)[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1c(F)cccc1F ZINC000117051892 525279006 /nfs/dbraw/zinc/27/90/06/525279006.db2.gz HVXFVVXUHCYFQT-CZUORRHYSA-N 1 0 370.444 1.540 10 0 FDAERO CC[C@@H]1CN(C(=O)CNC(=O)c2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC000117426191 525337420 /nfs/dbraw/zinc/33/74/20/525337420.db2.gz MNHPECODNDWYRA-GOSISDBHSA-N 1 0 361.486 1.602 10 0 FDAERO CC[C@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2F)CC[N@@H+]1CCOC ZINC000117426046 525337753 /nfs/dbraw/zinc/33/77/53/525337753.db2.gz RMNGVXMWBBLCSZ-AWEZNQCLSA-N 1 0 369.412 1.264 10 0 FDAERO CC[C@@H]1CN(C(=O)NCCc2c(C)nn(C)c2C)CC[N@@H+]1CCOC ZINC000117481032 525347693 /nfs/dbraw/zinc/34/76/93/525347693.db2.gz XDDPCCROJXCLLU-MRXNPFEDSA-N 1 0 351.495 1.332 10 0 FDAERO CCc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000163401666 525402783 /nfs/dbraw/zinc/40/27/83/525402783.db2.gz YPMBIBMJRCJYSM-OAHLLOKOSA-N 1 0 351.422 1.290 10 0 FDAERO CNC(=O)[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000178423836 525426511 /nfs/dbraw/zinc/42/65/11/525426511.db2.gz AVIPYIPYGQRWCG-GOSISDBHSA-N 1 0 360.502 1.763 10 0 FDAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1cc(F)c(F)cc1F ZINC000105529401 525513348 /nfs/dbraw/zinc/51/33/48/525513348.db2.gz UACVSWUDLMMWHP-SNVBAGLBSA-N 1 0 359.348 1.005 10 0 FDAERO CC1(C(=O)NC[C@H]2CN3CCN2CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000165216701 525545580 /nfs/dbraw/zinc/54/55/80/525545580.db2.gz FISSDBDIELJUEZ-IBGZPJMESA-N 1 0 356.514 1.405 10 0 FDAERO COCc1ccc(CNC(=O)CN2CCCN(c3cccnn3)CC2)cc1 ZINC000106069027 525559204 /nfs/dbraw/zinc/55/92/04/525559204.db2.gz BGHKYWFNFLIFJR-UHFFFAOYSA-N 1 0 369.469 1.452 10 0 FDAERO Cc1ccc(N2CCC[N@H+](CCc3nc4ccccc4c(=O)[nH]3)CC2)nn1 ZINC000106071817 525560787 /nfs/dbraw/zinc/56/07/87/525560787.db2.gz LNTZVVDRJFAWLL-UHFFFAOYSA-N 1 0 364.453 1.776 10 0 FDAERO C[N@H+](C[C@H](O)COc1ccc(F)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076833 525564490 /nfs/dbraw/zinc/56/44/90/525564490.db2.gz QOJBHXBMFFXRJY-SJORKVTESA-N 1 0 360.433 1.956 10 0 FDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)NC(=O)Nc2cccc(C)c2C)CC1 ZINC000118856899 525566000 /nfs/dbraw/zinc/56/60/00/525566000.db2.gz LGCJAOKDXHLGGT-MRXNPFEDSA-N 1 0 362.474 1.340 10 0 FDAERO Cc1csc2nc(C[N@@H+](C)[C@H]3CCCN(c4cccnn4)C3)cc(=O)n12 ZINC000106079331 525567562 /nfs/dbraw/zinc/56/75/62/525567562.db2.gz KAJWTIBLGJAAMT-HNNXBMFYSA-N 1 0 370.482 1.955 10 0 FDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)NCCCOC2CCCCC2)CC1 ZINC000118858894 525569154 /nfs/dbraw/zinc/56/91/54/525569154.db2.gz WTHSTNFLRIEVNJ-QGZVFWFLSA-N 1 0 355.523 1.231 10 0 FDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(COc3ccc(F)cc3)no2)C[C@@H]1C ZINC000106099099 525578431 /nfs/dbraw/zinc/57/84/31/525578431.db2.gz UXZHNGYNBCGFDM-UONOGXRCSA-N 1 0 364.421 1.675 10 0 FDAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000106098447 525579837 /nfs/dbraw/zinc/57/98/37/525579837.db2.gz NYBMYPHVEJEEEP-QLOLRVAOSA-N 1 0 351.535 1.943 10 0 FDAERO CC[C@@H]1CN(CC(=O)NC2(c3ccccc3)CCC2)CC[N@@H+]1C[C@@H](C)O ZINC000106101928 525585669 /nfs/dbraw/zinc/58/56/69/525585669.db2.gz KMDUBPVICTXMFA-IEBWSBKVSA-N 1 0 359.514 1.959 10 0 FDAERO CC[C@H]1CN(CC(=O)NCC2(c3ccccc3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000106102533 525588473 /nfs/dbraw/zinc/58/84/73/525588473.db2.gz UWEHNYCELMXNBB-MJGOQNOKSA-N 1 0 359.514 1.611 10 0 FDAERO CC[C@@H]1CN(CCNS(=O)(=O)c2ccccc2)CC[N@@H+]1CCOC ZINC000106113348 525602740 /nfs/dbraw/zinc/60/27/40/525602740.db2.gz MEUUUKJLVNOHNO-MRXNPFEDSA-N 1 0 355.504 1.008 10 0 FDAERO CNS(=O)(=O)c1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1C ZINC000119012192 525606361 /nfs/dbraw/zinc/60/63/61/525606361.db2.gz GRIVCUNXRNHYNF-DZGCQCFKSA-N 1 0 368.503 1.753 10 0 FDAERO CC[C@H]1CN(Cc2cc(=O)n3c(C)csc3n2)CC[N@@H+]1CCOC ZINC000106116183 525608662 /nfs/dbraw/zinc/60/86/62/525608662.db2.gz PHHLOGNVJGWFMF-HNNXBMFYSA-N 1 0 350.488 1.607 10 0 FDAERO CCOCC[N@@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@H]1CC ZINC000106116754 525609525 /nfs/dbraw/zinc/60/95/25/525609525.db2.gz ATSYMNUWLMYDML-QGZVFWFLSA-N 1 0 369.531 1.398 10 0 FDAERO CC(C)CCNC(=O)[C@@H](C)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121701 525613189 /nfs/dbraw/zinc/61/31/89/525613189.db2.gz FDANYMNWOLNUJB-RTBURBONSA-N 1 0 368.566 1.264 10 0 FDAERO Cc1noc([C@@H](C)N2CCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)CC2)n1 ZINC000168122349 525614887 /nfs/dbraw/zinc/61/48/87/525614887.db2.gz UZACQRMTTRPTBD-DYVFJYSZSA-N 1 0 355.442 1.470 10 0 FDAERO O=C([C@@H]1CCC[NH2+]C1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000168421474 525619819 /nfs/dbraw/zinc/61/98/19/525619819.db2.gz IWBFWNKSSBBIRT-QGZVFWFLSA-N 1 0 354.454 1.985 10 0 FDAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000179751688 525622571 /nfs/dbraw/zinc/62/25/71/525622571.db2.gz RHKVDSIQZKURMA-LJQANCHMSA-N 1 0 373.501 1.414 10 0 FDAERO CN(CC(=O)N(C)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131012 525624237 /nfs/dbraw/zinc/62/42/37/525624237.db2.gz BGXAPBKSRNUWNG-UHFFFAOYSA-N 1 0 355.486 1.942 10 0 FDAERO Cc1ccc(N2CCC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)nn1 ZINC000119103879 525639279 /nfs/dbraw/zinc/63/92/79/525639279.db2.gz WMDDLZLFNLJEIP-UHFFFAOYSA-N 1 0 372.473 1.162 10 0 FDAERO Cc1csc2nc(CN3CCC[N@@H+](Cc4cnn(C)c4)CC3)cc(=O)n12 ZINC000106157637 525643382 /nfs/dbraw/zinc/64/33/82/525643382.db2.gz GIBNGHFOLGEMGS-UHFFFAOYSA-N 1 0 372.498 1.506 10 0 FDAERO CCc1nnc([C@H]2CN(C(=O)NCCC3CC[NH+](CC)CC3)CCO2)[nH]1 ZINC000119309748 525703155 /nfs/dbraw/zinc/70/31/55/525703155.db2.gz OJNGMKACEXDWOQ-OAHLLOKOSA-N 1 0 364.494 1.572 10 0 FDAERO CCOCCN1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)C[C@@H]1C ZINC000130321709 525742694 /nfs/dbraw/zinc/74/26/94/525742694.db2.gz FELXLDMCVVJEMN-HNNXBMFYSA-N 1 0 358.446 1.842 10 0 FDAERO C[C@H]1C[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC(C)(C)C1 ZINC000180738392 525747478 /nfs/dbraw/zinc/74/74/78/525747478.db2.gz MHNBXRLQQQMPHA-GJZGRUSLSA-N 1 0 363.506 1.962 10 0 FDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000180786561 525754809 /nfs/dbraw/zinc/75/48/09/525754809.db2.gz BEWFMRPUFSKDIP-HNNXBMFYSA-N 1 0 353.488 1.764 10 0 FDAERO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000170911944 525767522 /nfs/dbraw/zinc/76/75/22/525767522.db2.gz QMRJHJYQDGPGMT-ZFWWWQNUSA-N 1 0 371.275 1.789 10 0 FDAERO Cc1cncc(CNC(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)c1 ZINC000119617491 525806701 /nfs/dbraw/zinc/80/67/01/525806701.db2.gz WTOSWVNVKJJEEM-UHFFFAOYSA-N 1 0 368.485 1.878 10 0 FDAERO C[NH+](C)C[C@H]1CN(Cc2cccc(C(=O)NCc3ccco3)c2)CCO1 ZINC000155288157 525808577 /nfs/dbraw/zinc/80/85/77/525808577.db2.gz HYDGHLHCWTZGFR-IBGZPJMESA-N 1 0 357.454 1.972 10 0 FDAERO CCS(=O)(=O)NC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106905775 525820378 /nfs/dbraw/zinc/82/03/78/525820378.db2.gz CHIZXLJCDGBIML-KRWDZBQOSA-N 1 0 367.515 1.090 10 0 FDAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181286332 525833589 /nfs/dbraw/zinc/83/35/89/525833589.db2.gz HFAWCVNFIMLJPM-SJORKVTESA-N 1 0 369.469 1.634 10 0 FDAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2Cc2cccc(C)c2)C1 ZINC000131331722 525847177 /nfs/dbraw/zinc/84/71/77/525847177.db2.gz AKDRIVGVKLDCHT-KRWDZBQOSA-N 1 0 369.469 1.779 10 0 FDAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccs2)cc1S(N)(=O)=O ZINC000171111662 525854562 /nfs/dbraw/zinc/85/45/62/525854562.db2.gz YRJRPISMUCWODB-LLVKDONJSA-N 1 0 353.469 1.993 10 0 FDAERO COCCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000171123386 525857621 /nfs/dbraw/zinc/85/76/21/525857621.db2.gz LQAJBRSXPWZREA-SFHVURJKSA-N 1 0 355.523 1.790 10 0 FDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)Nc2cccc3cccnc32)C1 ZINC000171164625 525878676 /nfs/dbraw/zinc/87/86/76/525878676.db2.gz LZRBXJURSHQKDD-HNNXBMFYSA-N 1 0 355.442 1.957 10 0 FDAERO CC[C@H]1CN(C(=O)NCCc2ccc(OC)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000181687200 525891868 /nfs/dbraw/zinc/89/18/68/525891868.db2.gz GOODKPXODXGEQB-ZBFHGGJFSA-N 1 0 367.465 1.863 10 0 FDAERO O=C(CC1CCCCC1)NCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000171220487 525903929 /nfs/dbraw/zinc/90/39/29/525903929.db2.gz TWWKKHIIOCLAQB-KRWDZBQOSA-N 1 0 368.522 1.219 10 0 FDAERO CC[C@@H]1CN(C(=O)NCCC(=O)Nc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000181760201 525921841 /nfs/dbraw/zinc/92/18/41/525921841.db2.gz MIUKKEDRCGLWJL-NVXWUHKLSA-N 1 0 362.474 1.502 10 0 FDAERO CC[C@H]1CN(C(=O)NCCc2ccc3c(c2)CCO3)CC[N@@H+]1C[C@@H](C)O ZINC000181764421 525921872 /nfs/dbraw/zinc/92/18/72/525921872.db2.gz OMEMEAULCFLZQT-QAPCUYQASA-N 1 0 361.486 1.651 10 0 FDAERO CC[C@H]1CN(C(=O)NCCc2cc(F)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000181889204 525970685 /nfs/dbraw/zinc/97/06/85/525970685.db2.gz XMKCABFJAIHMLO-CJNGLKHVSA-N 1 0 355.429 1.994 10 0 FDAERO COC(=O)[C@@H]1C[C@H]1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000171384220 525970787 /nfs/dbraw/zinc/97/07/87/525970787.db2.gz ZUJQYJKUBISSIR-RTBURBONSA-N 1 0 373.497 1.510 10 0 FDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000171388228 525973220 /nfs/dbraw/zinc/97/32/20/525973220.db2.gz QGGIPWBCKWAGLJ-INIZCTEOSA-N 1 0 374.485 1.992 10 0 FDAERO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000108545268 525982499 /nfs/dbraw/zinc/98/24/99/525982499.db2.gz IWGJPSQAMHDDRK-UONOGXRCSA-N 1 0 353.488 1.792 10 0 FDAERO CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1CC ZINC000181972703 526005167 /nfs/dbraw/zinc/00/51/67/526005167.db2.gz DJLSWJIZQWIBOF-JKSUJKDBSA-N 1 0 366.506 1.140 10 0 FDAERO Cc1cc(C[C@@H](C)NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)[nH]n1 ZINC000182013782 526019679 /nfs/dbraw/zinc/01/96/79/526019679.db2.gz RLCATZUJECKJBB-HIFRSBDPSA-N 1 0 351.495 1.383 10 0 FDAERO O=C(NCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1Cl ZINC000171607756 526048816 /nfs/dbraw/zinc/04/88/16/526048816.db2.gz YJLNPNXHTSXOKZ-AWEZNQCLSA-N 1 0 364.877 1.950 10 0 FDAERO CCOC(=O)c1sc2ncnc(N3CCO[C@H](C[NH+](C)C)C3)c2c1C ZINC000108951896 526050055 /nfs/dbraw/zinc/05/00/55/526050055.db2.gz SDJXBERTNGCMCL-GFCCVEGCSA-N 1 0 364.471 1.943 10 0 FDAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)nnn1-c1ccc2ncccc2c1 ZINC000108994227 526054333 /nfs/dbraw/zinc/05/43/33/526054333.db2.gz LRXDLZFFICVLSO-INIZCTEOSA-N 1 0 350.426 1.900 10 0 FDAERO CC[C@H]1CN(C(=O)NCc2cc(F)cc(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182136881 526069476 /nfs/dbraw/zinc/06/94/76/526069476.db2.gz PBCNMWOIDHHKLS-CJNGLKHVSA-N 1 0 353.438 1.821 10 0 FDAERO Cc1ccc2oc(N3CCN(C(=O)C[C@H]4CSCC[NH2+]4)CC3)nc2c1 ZINC000133750915 526088890 /nfs/dbraw/zinc/08/88/90/526088890.db2.gz CCVUDYCRKYCAJD-AWEZNQCLSA-N 1 0 360.483 1.880 10 0 FDAERO Cc1cnn(C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)CCO2)c1 ZINC000133960899 526110545 /nfs/dbraw/zinc/11/05/45/526110545.db2.gz LBGPPXKXXYCCIS-ZWKOTPCHSA-N 1 0 363.506 1.580 10 0 FDAERO Cc1ccc(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)s1 ZINC000109646960 526148580 /nfs/dbraw/zinc/14/85/80/526148580.db2.gz NVGGHNGOWPXEHL-MRXNPFEDSA-N 1 0 351.516 1.924 10 0 FDAERO CCn1cc(CN2CCCN(C(=O)N[C@@H](C)c3cn(C)nc3C)CC2)cn1 ZINC000171853304 526150846 /nfs/dbraw/zinc/15/08/46/526150846.db2.gz FTGXNWUBQYENBA-HNNXBMFYSA-N 1 0 373.505 1.923 10 0 FDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)COC3CCCCC3)CC2)C1 ZINC000109647664 526151669 /nfs/dbraw/zinc/15/16/69/526151669.db2.gz YLVLMGLVJAYVIY-IBGZPJMESA-N 1 0 367.534 1.589 10 0 FDAERO CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)n1 ZINC000109654717 526153595 /nfs/dbraw/zinc/15/35/95/526153595.db2.gz WPXLFAAUQXGFKW-INIZCTEOSA-N 1 0 361.490 1.707 10 0 FDAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182418218 526167253 /nfs/dbraw/zinc/16/72/53/526167253.db2.gz ISPSMSYAOOENKB-JKSUJKDBSA-N 1 0 356.894 1.777 10 0 FDAERO CN(C(=O)c1ccc2nccn2c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171934383 526185259 /nfs/dbraw/zinc/18/52/59/526185259.db2.gz KBPSDTOBCLEQOH-UHFFFAOYSA-N 1 0 352.442 1.767 10 0 FDAERO CCc1nnc([C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)CCO2)[nH]1 ZINC000120877588 526209117 /nfs/dbraw/zinc/20/91/17/526209117.db2.gz BJXQWZNZEXNSNT-CABCVRRESA-N 1 0 364.494 1.428 10 0 FDAERO CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000183646960 536021335 /nfs/dbraw/zinc/02/13/35/536021335.db2.gz NWBQEBIPAXBVGF-GOEBONIOSA-N 1 0 365.499 1.222 10 0 FDAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000184068754 536089745 /nfs/dbraw/zinc/08/97/45/536089745.db2.gz VANXDPSADKYRRA-HOTGVXAUSA-N 1 0 361.490 1.339 10 0 FDAERO CC[C@H](O)CN1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000184835255 536186743 /nfs/dbraw/zinc/18/67/43/536186743.db2.gz NDCNZGDXAPSYTM-BZSNNMDCSA-N 1 0 354.539 1.453 10 0 FDAERO CC[C@H](O)CN1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000184843113 536187159 /nfs/dbraw/zinc/18/71/59/536187159.db2.gz UUZAHKWHECKBQO-SFHVURJKSA-N 1 0 354.539 1.597 10 0 FDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(OC)cccc1OC ZINC000184963748 536194338 /nfs/dbraw/zinc/19/43/38/536194338.db2.gz PUJGVBDOBBFZHS-ZIAGYGMSSA-N 1 0 354.472 1.951 10 0 FDAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000185135788 536199718 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CCC[C@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[NH+](C)C ZINC000179309841 672158300 /nfs/dbraw/zinc/15/83/00/672158300.db2.gz LDPFMVMMCHZYMD-GFCCVEGCSA-N 1 0 355.451 1.097 10 0 FDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000181780236 672201987 /nfs/dbraw/zinc/20/19/87/672201987.db2.gz QJCLLDZPWDHAEF-JBEBIEQOSA-N 1 0 361.552 1.268 10 0 FDAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000183681492 672234766 /nfs/dbraw/zinc/23/47/66/672234766.db2.gz KFKYPSYUSWFUDB-CQSZACIVSA-N 1 0 361.364 1.562 10 0 FDAERO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000187643662 672285861 /nfs/dbraw/zinc/28/58/61/672285861.db2.gz USYFNNGXBWZSEC-AWEZNQCLSA-N 1 0 359.289 1.917 10 0 FDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2OC(F)F)C1 ZINC000194640298 672387603 /nfs/dbraw/zinc/38/76/03/672387603.db2.gz VLVVMYXQKPDUMT-GFCCVEGCSA-N 1 0 355.385 1.618 10 0 FDAERO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@@H](C)[NH3+] ZINC000194913742 672390645 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NQXKFHXURLVPFT-LSDHHAIUSA-N 1 0 354.495 1.977 10 0 FDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247404567 672526195 /nfs/dbraw/zinc/52/61/95/672526195.db2.gz PPOURGSDOWNJGT-ILXRZTDVSA-N 1 0 352.479 1.874 10 0 FDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000249175235 672548519 /nfs/dbraw/zinc/54/85/19/672548519.db2.gz MAKNXSZHIROGBY-JQWIXIFHSA-N 1 0 367.247 1.478 10 0 FDAERO C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CC[N@@H+]1CC(C)(C)O ZINC000249355464 672557407 /nfs/dbraw/zinc/55/74/07/672557407.db2.gz LBRAQKNGSXVMRJ-CRAIPNDOSA-N 1 0 370.921 1.995 10 0 FDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000249810342 672583687 /nfs/dbraw/zinc/58/36/87/672583687.db2.gz YNIMAOKPUVFSDH-TZMCWYRMSA-N 1 0 354.476 1.179 10 0 FDAERO CCOCC[N@@H+]1CCN(Cc2cc(=O)n3c(C)csc3n2)C[C@H]1C ZINC000252352449 672593021 /nfs/dbraw/zinc/59/30/21/672593021.db2.gz BZFQYTJGFODABQ-CYBMUJFWSA-N 1 0 350.488 1.607 10 0 FDAERO C[NH2+][C@@H](C)CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000261635014 672640517 /nfs/dbraw/zinc/64/05/17/672640517.db2.gz CTRICZPUDKJZBA-HZMBPMFUSA-N 1 0 356.264 1.741 10 0 FDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000261651245 672643108 /nfs/dbraw/zinc/64/31/08/672643108.db2.gz FCEOESZZBGWGCT-JTQLQIEISA-N 1 0 372.384 1.990 10 0 FDAERO [NH3+]C1(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CCOCC1 ZINC000261698535 672653851 /nfs/dbraw/zinc/65/38/51/672653851.db2.gz DRUXBAGGEWXMDO-CYBMUJFWSA-N 1 0 353.413 1.553 10 0 FDAERO C[NH2+][C@@H](C)CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000261840966 672681494 /nfs/dbraw/zinc/68/14/94/672681494.db2.gz WFCJYBICAUUICM-AWEZNQCLSA-N 1 0 353.488 1.128 10 0 FDAERO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261885316 672688662 /nfs/dbraw/zinc/68/86/62/672688662.db2.gz FTKMFIXRQSUTCJ-KSZLIROESA-N 1 0 352.500 1.478 10 0 FDAERO COc1cc(CNC(=O)C2([NH3+])CCOCC2)ccc1OCC(F)(F)F ZINC000261919578 672694202 /nfs/dbraw/zinc/69/42/02/672694202.db2.gz UUUKVUOILKQLFM-UHFFFAOYSA-N 1 0 362.348 1.760 10 0 FDAERO CCOC(=O)c1oc2ccc(S(=O)(=O)N3C[C@H](C)[C@H]([NH3+])C3)cc2c1C ZINC000262036609 672716182 /nfs/dbraw/zinc/71/61/82/672716182.db2.gz KQMCXIJUICUQTP-IINYFYTJSA-N 1 0 366.439 1.886 10 0 FDAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cccc(Br)c1Cl ZINC000262192653 672744022 /nfs/dbraw/zinc/74/40/22/672744022.db2.gz CLIBEOWFORSRER-QMMMGPOBSA-N 1 0 353.669 1.990 10 0 FDAERO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262204277 672746072 /nfs/dbraw/zinc/74/60/72/672746072.db2.gz IKTPEZJTYVNRPJ-AAEUAGOBSA-N 1 0 350.806 1.019 10 0 FDAERO COc1ccc(CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1Br ZINC000262207429 672746835 /nfs/dbraw/zinc/74/68/35/672746835.db2.gz IOJUCHCTOJVNMW-YPMHNXCESA-N 1 0 357.248 1.087 10 0 FDAERO NCc1nc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)no1 ZINC000262271071 672759001 /nfs/dbraw/zinc/75/90/01/672759001.db2.gz SLABSXLYKFJUIQ-UHFFFAOYSA-N 1 0 370.240 1.793 10 0 FDAERO O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262278700 672760798 /nfs/dbraw/zinc/76/07/98/672760798.db2.gz NQHSKPYWPSPTAY-BXKDBHETSA-N 1 0 373.400 1.944 10 0 FDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000262287726 672762092 /nfs/dbraw/zinc/76/20/92/672762092.db2.gz OKMVTHLVZMDOPU-HZMBPMFUSA-N 1 0 354.332 1.201 10 0 FDAERO O=C(NC[C@@H]1CCCN(c2ccc(Br)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000262344718 672774181 /nfs/dbraw/zinc/77/41/81/672774181.db2.gz URMZPUGTDBHQJW-JSGCOSHPSA-N 1 0 367.291 1.929 10 0 FDAERO CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000263206676 672867269 /nfs/dbraw/zinc/86/72/69/672867269.db2.gz IEUDBQJSZDTZRD-YMAMQOFZSA-N 1 0 356.511 1.590 10 0 FDAERO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](C)C[C@@H]3C2)cc1S(C)(=O)=O ZINC000908331596 855311698 /nfs/dbraw/zinc/31/16/98/855311698.db2.gz VFAONAICYZCPBU-ZIAGYGMSSA-N 1 0 352.456 1.122 10 0 FDAERO O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000909162872 856258810 /nfs/dbraw/zinc/25/88/10/856258810.db2.gz AEDIMDMSNOSUPZ-GUDVDZBRSA-N 1 0 354.454 1.586 10 0 FDAERO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2CO1 ZINC000702637911 884112237 /nfs/dbraw/zinc/11/22/37/884112237.db2.gz UYMJRZRPNJZYKG-IFMALSPDSA-N 1 0 366.461 1.881 10 0 FDAERO COC(=O)c1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 ZINC000702784998 884197305 /nfs/dbraw/zinc/19/73/05/884197305.db2.gz ACSQHCOXOHNIMV-HOTGVXAUSA-N 1 0 364.442 1.791 10 0 FDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000702849556 884265945 /nfs/dbraw/zinc/26/59/45/884265945.db2.gz VSBTVFBGOUJOLO-KGLIPLIRSA-N 1 0 350.415 1.733 10 0 FDAERO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000190216493 177988097 /nfs/dbraw/zinc/98/80/97/177988097.db2.gz YEPQPLUOVDFROE-OAHLLOKOSA-N 1 0 364.494 1.777 10 0 FDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000190448593 178001489 /nfs/dbraw/zinc/00/14/89/178001489.db2.gz NJNWGUKOMJPJFS-CQSZACIVSA-N 1 0 358.467 1.835 10 0 FDAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)c2cnn(C)c2)C1 ZINC000190537835 178009324 /nfs/dbraw/zinc/00/93/24/178009324.db2.gz VHFPIXDIIHPZRS-CYBMUJFWSA-N 1 0 361.471 1.348 10 0 FDAERO COC(=O)C[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190564090 178010555 /nfs/dbraw/zinc/01/05/55/178010555.db2.gz PKKDSKBSCUGVBV-JSGCOSHPSA-N 1 0 353.488 1.931 10 0 FDAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(Nc3cccnn3)CC2)CC1 ZINC000190865444 178029707 /nfs/dbraw/zinc/02/97/07/178029707.db2.gz IWSNQNFGHLJIMX-UHFFFAOYSA-N 1 0 362.474 1.837 10 0 FDAERO CC[C@H](C(=O)OC(C)(C)C)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000192002207 178081918 /nfs/dbraw/zinc/08/19/18/178081918.db2.gz OGGTZLUTOPMUKE-ZWKOTPCHSA-N 1 0 369.550 1.834 10 0 FDAERO COc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3CCC[NH2+][C@@H]3C)c(C)c12 ZINC000193526012 178167122 /nfs/dbraw/zinc/16/71/22/178167122.db2.gz ZIDRNCNKXGDJMF-HIFRSBDPSA-N 1 0 359.474 1.783 10 0 FDAERO COc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3CCC[NH2+][C@H]3C)c(C)c12 ZINC000193526039 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ZINC000195320371 178257885 /nfs/dbraw/zinc/25/78/85/178257885.db2.gz CLUZSIYLIGJAGY-CYBMUJFWSA-N 1 0 367.396 1.715 10 0 FDAERO NC(=O)CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505325 178269178 /nfs/dbraw/zinc/26/91/78/178269178.db2.gz DUWZXSFWWZTLDD-UHFFFAOYSA-N 1 0 369.469 1.493 10 0 FDAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000236788704 178282809 /nfs/dbraw/zinc/28/28/09/178282809.db2.gz GSCDKGKFJQVUAN-MRXNPFEDSA-N 1 0 359.536 1.619 10 0 FDAERO CCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000236826375 178284589 /nfs/dbraw/zinc/28/45/89/178284589.db2.gz MBLDWUNXCZFIHJ-KRWDZBQOSA-N 1 0 367.515 1.770 10 0 FDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000236948812 178289026 /nfs/dbraw/zinc/28/90/26/178289026.db2.gz QXVMVDNFGWSSMO-CZUORRHYSA-N 1 0 371.478 1.422 10 0 FDAERO CCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000236923490 178289521 /nfs/dbraw/zinc/28/95/21/178289521.db2.gz LDLRLCNHXPXDGM-OAHLLOKOSA-N 1 0 353.488 1.264 10 0 FDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000236950546 178290050 /nfs/dbraw/zinc/29/00/50/178290050.db2.gz GJBGGRYIDHXHHR-CXAGYDPISA-N 1 0 351.878 1.927 10 0 FDAERO CCC[C@@H]([NH3+])C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000236950611 178290114 /nfs/dbraw/zinc/29/01/14/178290114.db2.gz LJNOEYDOTBDMFR-CQSZACIVSA-N 1 0 373.544 1.709 10 0 FDAERO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000236997601 178292070 /nfs/dbraw/zinc/29/20/70/178292070.db2.gz OZRUWGKAMAOFDL-LSDHHAIUSA-N 1 0 353.488 1.461 10 0 FDAERO O=S(=O)(Cc1ccccc1C[NH2+]CC1CCOCC1)N1CCOCC1 ZINC000238025874 178344428 /nfs/dbraw/zinc/34/44/28/178344428.db2.gz YQJUOZUJPLRHLV-UHFFFAOYSA-N 1 0 368.499 1.365 10 0 FDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000238056935 178345570 /nfs/dbraw/zinc/34/55/70/178345570.db2.gz ZZJJPDPCHUFAPG-BLLLJJGKSA-N 1 0 369.462 1.467 10 0 FDAERO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000238053275 178345769 /nfs/dbraw/zinc/34/57/69/178345769.db2.gz FSKMZEWTZOSZGY-MRXNPFEDSA-N 1 0 365.499 1.815 10 0 FDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)COc1ccc(I)cc1 ZINC000238068253 178346924 /nfs/dbraw/zinc/34/69/24/178346924.db2.gz CJWIKUAVRHFOOH-MFKMUULPSA-N 1 0 374.222 1.914 10 0 FDAERO O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238100061 178348861 /nfs/dbraw/zinc/34/88/61/178348861.db2.gz GSBALNNZCNJLBY-WFASDCNBSA-N 1 0 351.834 1.627 10 0 FDAERO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000245447411 178360004 /nfs/dbraw/zinc/36/00/04/178360004.db2.gz MAHUHAOUOATTJS-HSALFYBXSA-N 1 0 373.497 1.702 10 0 FDAERO CC[C@H]1CN(Cc2cc(OC)c(OC)c(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000245685688 178375670 /nfs/dbraw/zinc/37/56/70/178375670.db2.gz ALWGZDCGLXLVEH-HOCLYGCPSA-N 1 0 352.475 1.989 10 0 FDAERO CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245740792 178379003 /nfs/dbraw/zinc/37/90/03/178379003.db2.gz GEQSWQWYTFWTMT-ZIAGYGMSSA-N 1 0 366.487 1.604 10 0 FDAERO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000245781009 178379980 /nfs/dbraw/zinc/37/99/80/178379980.db2.gz RIUCODPDTYIZBW-CVEARBPZSA-N 1 0 355.442 1.911 10 0 FDAERO CCOc1c(OC)cc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1OC ZINC000245807151 178381848 /nfs/dbraw/zinc/38/18/48/178381848.db2.gz YUMZTEVQMSGBKH-CABCVRRESA-N 1 0 352.475 1.989 10 0 FDAERO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245867776 178385743 /nfs/dbraw/zinc/38/57/43/178385743.db2.gz USGNUQLZKTZASB-HKUYNNGSSA-N 1 0 358.442 1.955 10 0 FDAERO CCOC(=O)C1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000245955325 178392258 /nfs/dbraw/zinc/39/22/58/178392258.db2.gz COZALDLWNCQEKO-IRXDYDNUSA-N 1 0 351.491 1.347 10 0 FDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000245987581 178393839 /nfs/dbraw/zinc/39/38/39/178393839.db2.gz COFJKKUVIUXJMM-RDJZCZTQSA-N 1 0 370.457 1.662 10 0 FDAERO CSCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246016606 178396142 /nfs/dbraw/zinc/39/61/42/178396142.db2.gz ULHWDXQMGKXGCS-HZSPNIEDSA-N 1 0 357.545 1.707 10 0 FDAERO C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000246728977 178445700 /nfs/dbraw/zinc/44/57/00/178445700.db2.gz YDDONNCYPZDRJM-HOCLYGCPSA-N 1 0 365.499 1.813 10 0 FDAERO CC1(C)CN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC[C@@H]1[NH3+] ZINC000261745478 178612580 /nfs/dbraw/zinc/61/25/80/178612580.db2.gz DPPJUKZBIWCJJM-HNNXBMFYSA-N 1 0 351.472 1.327 10 0 FDAERO CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000261762403 178615354 /nfs/dbraw/zinc/61/53/54/178615354.db2.gz FIEICACBUIQHMV-HNNXBMFYSA-N 1 0 370.446 1.388 10 0 FDAERO Oc1ccc2c3c1O[C@@H]1[C@@H](O)CC[C@]4(O)[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000114457538 210169891 /nfs/dbraw/zinc/16/98/91/210169891.db2.gz NETZHAKZCGBWSS-GTKPJJQQSA-N 1 0 357.450 1.707 10 0 in-vitro FDAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccc(NC(N)=O)cc1 ZINC000261868891 178635340 /nfs/dbraw/zinc/63/53/40/178635340.db2.gz CXAHLBKOLISLQD-LYRGGWFBSA-N 1 0 356.430 1.091 10 0 FDAERO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261914810 178643575 /nfs/dbraw/zinc/64/35/75/178643575.db2.gz YBUGQJOPKNIIND-LSDHHAIUSA-N 1 0 353.488 1.249 10 0 FDAERO C[C@](C[NH3+])(NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C1CC1 ZINC000262065600 178666253 /nfs/dbraw/zinc/66/62/53/178666253.db2.gz OLFWFBZHHPPQJY-NVXWUHKLSA-N 1 0 357.520 1.214 10 0 FDAERO O=C(COc1ccc(C2SCCCS2)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262098130 178672879 /nfs/dbraw/zinc/67/28/79/178672879.db2.gz DNOGWKUXYIOCRT-ZFWWWQNUSA-N 1 0 368.524 1.631 10 0 FDAERO O=C(NC[C@@H]1CCCN(c2ncncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000262289387 178712040 /nfs/dbraw/zinc/71/20/40/178712040.db2.gz NBBJCCICMNYTQA-WCQYABFASA-N 1 0 368.279 1.324 10 0 FDAERO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262357945 178725178 /nfs/dbraw/zinc/72/51/78/178725178.db2.gz UYTJUSJTBWUUQQ-XCBNKYQSSA-N 1 0 351.255 1.714 10 0 FDAERO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000262554593 178755202 /nfs/dbraw/zinc/75/52/02/178755202.db2.gz WJELHQQUZPTUFC-CQSZACIVSA-N 1 0 369.487 1.094 10 0 FDAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000262963165 178836102 /nfs/dbraw/zinc/83/61/02/178836102.db2.gz KXCLJLZGQLFIPW-PXNSSMCTSA-N 1 0 358.486 1.677 10 0 FDAERO CCn1ccnc(N2CCC([NH2+]Cc3cccc(C(N)=O)c3)CC2)c1=O ZINC000328643574 210121104 /nfs/dbraw/zinc/12/11/04/210121104.db2.gz RKZGAKRKNSVQPM-UHFFFAOYSA-N 1 0 355.442 1.905 10 0 FDAERO COCCN1C(=O)C[C@@H](C[NH2+]Cc2c(C)noc2C)[C@@H]1c1cnn(C)c1 ZINC000328630197 210117688 /nfs/dbraw/zinc/11/76/88/210117688.db2.gz POGGYYUTWGTTLD-KBXCAEBGSA-N 1 0 361.446 1.351 10 0 FDAERO CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCCN(c2ncnc(C)c2C)C1 ZINC000067821344 221290608 /nfs/dbraw/zinc/29/06/08/221290608.db2.gz ALDWTMIBECNORI-INIZCTEOSA-N 1 0 373.505 1.417 10 0 FDAERO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000171979536 258270978 /nfs/dbraw/zinc/27/09/78/258270978.db2.gz KIDBEHSBWCCIPX-UYAOXDASSA-N 1 0 372.513 1.350 10 0 FDAERO Cc1cccnc1NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000172276242 258271852 /nfs/dbraw/zinc/27/18/52/258271852.db2.gz RIVBNSSYTPQNLW-QGZVFWFLSA-N 1 0 361.490 1.649 10 0 FDAERO CC[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2)CC[N@@H+]1CCOC ZINC000172324208 258274034 /nfs/dbraw/zinc/27/40/34/258274034.db2.gz DUEYJFXOHTYFRR-KRWDZBQOSA-N 1 0 362.474 1.169 10 0 FDAERO CN1C(=O)CC[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000172344886 258274807 /nfs/dbraw/zinc/27/48/07/258274807.db2.gz UYMFAPJHYANJED-ICSRJNTNSA-N 1 0 373.497 1.559 10 0 FDAERO Cc1ccc(N2CCC[N@H+](C[C@H](O)COc3ccccc3F)CC2)nn1 ZINC000172841286 258286461 /nfs/dbraw/zinc/28/64/61/258286461.db2.gz YWTQHRYOGFBFJD-INIZCTEOSA-N 1 0 360.433 1.876 10 0 FDAERO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CCc2ccccc2)CC1 ZINC000173194247 258293076 /nfs/dbraw/zinc/29/30/76/258293076.db2.gz SPZDGAVRQKSHRN-INIZCTEOSA-N 1 0 354.516 1.584 10 0 FDAERO C[N@@H+]1CCN(c2ncnc3nc[nH]c32)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095360168 132207903 /nfs/dbraw/zinc/20/79/03/132207903.db2.gz UUROFJJUXJSJNZ-IBGZPJMESA-N 1 0 369.473 1.266 10 0 FDAERO COc1cccc(NC(=O)N2CCN(c3cc(N(C)C)cn[nH+]3)CC2)c1 ZINC000224311311 132282944 /nfs/dbraw/zinc/28/29/44/132282944.db2.gz YFLDIVXHTZDHHY-UHFFFAOYSA-N 1 0 356.430 1.905 10 0 FDAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000173271803 258294816 /nfs/dbraw/zinc/29/48/16/258294816.db2.gz DXIOVEFFGLIZTE-HUUCEWRRSA-N 1 0 353.488 1.836 10 0 FDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000173292997 258295686 /nfs/dbraw/zinc/29/56/86/258295686.db2.gz LBHUEPZERBQUTI-HUUCEWRRSA-N 1 0 366.487 1.102 10 0 FDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173306782 258295899 /nfs/dbraw/zinc/29/58/99/258295899.db2.gz KGHIIGWXBMYNCW-LSDHHAIUSA-N 1 0 355.504 1.308 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VYKICLNYSZLKQQ-HUUCEWRRSA-N 1 0 358.446 1.683 10 0 FDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1C[S@](C)=O ZINC000183478867 535988418 /nfs/dbraw/zinc/98/84/18/535988418.db2.gz XKQBIOBKDAMKPE-MQNRADLISA-N 1 0 367.515 1.596 10 0 FDAERO CN(C(=O)NCC(=O)NCC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183800902 536052292 /nfs/dbraw/zinc/05/22/92/536052292.db2.gz NHZPCLOZLOSTGE-SFHVURJKSA-N 1 0 358.486 1.819 10 0 FDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(OC(C)(C)C)nc2)CCO1 ZINC000183893020 536062930 /nfs/dbraw/zinc/06/29/30/536062930.db2.gz NUVZBMYFTJCLKN-HNNXBMFYSA-N 1 0 350.463 1.731 10 0 FDAERO Cc1c(-c2cc(C[N@H+]3CCCN(Cc4cnn(C)c4)CC3)on2)cnn1C ZINC000184525927 536160882 /nfs/dbraw/zinc/16/08/82/536160882.db2.gz KBJGAFHVVGOEQL-UHFFFAOYSA-N 1 0 369.473 1.825 10 0 FDAERO CC[C@@H]1CN(C(=O)NCc2ccc(OC)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000184866902 536188256 /nfs/dbraw/zinc/18/82/56/536188256.db2.gz LLQPYRPNWSQKNF-UKRRQHHQSA-N 1 0 353.438 1.821 10 0 FDAERO CC[C@@H]1CN(C(=O)NCCc2c(F)cccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000184898195 536190126 /nfs/dbraw/zinc/19/01/26/536190126.db2.gz VHOYLELYEFHTSO-ZIAGYGMSSA-N 1 0 355.429 1.994 10 0 FDAERO CCCOc1ncccc1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000184963878 536194384 /nfs/dbraw/zinc/19/43/84/536194384.db2.gz BJGOAODQVOSTKQ-WBVHZDCISA-N 1 0 364.490 1.857 10 0 FDAERO Cc1nccn1C[C@@H](C)CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000185002519 536195456 /nfs/dbraw/zinc/19/54/56/536195456.db2.gz PBTDSQRKHBTAQE-JKSUJKDBSA-N 1 0 365.522 1.562 10 0 FDAERO COc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1F ZINC000185039722 536196478 /nfs/dbraw/zinc/19/64/78/536196478.db2.gz KHQCPONBNPNWEX-WFASDCNBSA-N 1 0 351.422 1.926 10 0 FDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)C[C@H]12 ZINC000185038162 536196482 /nfs/dbraw/zinc/19/64/82/536196482.db2.gz LFVXBXGHUZGUAU-XZTDRJMTSA-N 1 0 359.514 1.905 10 0 FDAERO CCO[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C12CCOCC2 ZINC000185663046 536214782 /nfs/dbraw/zinc/21/47/82/536214782.db2.gz FTSAFOVRPLSKKV-SJORKVTESA-N 1 0 351.491 1.698 10 0 FDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000186177262 536227894 /nfs/dbraw/zinc/22/78/94/536227894.db2.gz GCRNPLDHVPXBAE-HUUCEWRRSA-N 1 0 366.487 1.031 10 0 FDAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C12CCOCC2 ZINC000186238474 536229708 /nfs/dbraw/zinc/22/97/08/536229708.db2.gz NKUDPFYNVFLJFW-PCCBWWKXSA-N 1 0 374.525 1.969 10 0 FDAERO CCN1c2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](CC)C3)cc2CCC1=O ZINC000186263358 536230363 /nfs/dbraw/zinc/23/03/63/536230363.db2.gz BYRYCQJHWXUVIC-MRXNPFEDSA-N 1 0 372.469 1.525 10 0 FDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@]3(C)C(C)C)CC2)C1 ZINC000186363350 536233157 /nfs/dbraw/zinc/23/31/57/536233157.db2.gz AGUOMMNDVPAGRD-QWFCFKBJSA-N 1 0 351.535 1.922 10 0 FDAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1COc2ccccc21 ZINC000186618079 536238764 /nfs/dbraw/zinc/23/87/64/536238764.db2.gz RQMJQTCRXLYNME-OAHLLOKOSA-N 1 0 364.471 1.474 10 0 FDAERO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000187101887 536254729 /nfs/dbraw/zinc/25/47/29/536254729.db2.gz YDXYIVUAPIOPBG-HOTGVXAUSA-N 1 0 374.485 1.403 10 0 FDAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000187110478 536254986 /nfs/dbraw/zinc/25/49/86/536254986.db2.gz MFZMKKLYGCGGIN-CYBMUJFWSA-N 1 0 360.907 1.944 10 0 FDAERO Cc1cnn(CCNC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000187149504 536255894 /nfs/dbraw/zinc/25/58/94/536255894.db2.gz UOGWUFRVUJORAU-FQEVSTJZSA-N 1 0 371.485 1.470 10 0 FDAERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000187667732 536271196 /nfs/dbraw/zinc/27/11/96/536271196.db2.gz HFTSZWOMVXTRLV-AWEZNQCLSA-N 1 0 371.485 1.527 10 0 FDAERO O=C(NC1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1)C1CC1 ZINC000187753220 536273687 /nfs/dbraw/zinc/27/36/87/536273687.db2.gz WVPRVQWQSFXLIM-UHFFFAOYSA-N 1 0 357.458 1.218 10 0 FDAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000188222055 536286460 /nfs/dbraw/zinc/28/64/60/536286460.db2.gz RVGMXYBEFYCLKJ-LLVKDONJSA-N 1 0 356.414 1.700 10 0 FDAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCC[C@@H]1CCO ZINC000188529548 536295618 /nfs/dbraw/zinc/29/56/18/536295618.db2.gz CLEKTUISUGPQOQ-NZSAHSFTSA-N 1 0 361.486 1.256 10 0 FDAERO COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000188539438 536295865 /nfs/dbraw/zinc/29/58/65/536295865.db2.gz JBHNKOFSSIHWRF-ZIAGYGMSSA-N 1 0 353.467 1.122 10 0 FDAERO CC(C)[C@@H](O)CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246261086 536912543 /nfs/dbraw/zinc/91/25/43/536912543.db2.gz LEYFBSOPBMOSGU-MSOLQXFVSA-N 1 0 361.486 1.407 10 0 FDAERO CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246281187 536915814 /nfs/dbraw/zinc/91/58/14/536915814.db2.gz BMSPWHUSXIKIGH-CXAGYDPISA-N 1 0 360.458 1.453 10 0 FDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000188633959 536916661 /nfs/dbraw/zinc/91/66/61/536916661.db2.gz VGKXCOOSPSMSEU-ZDUSSCGKSA-N 1 0 351.422 1.315 10 0 FDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000188640073 536918166 /nfs/dbraw/zinc/91/81/66/536918166.db2.gz CVRVGRJONRXXHF-LBPRGKRZSA-N 1 0 369.412 1.455 10 0 FDAERO COC(=O)[C@@H]1CCC[C@H](C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000246382111 536940736 /nfs/dbraw/zinc/94/07/36/536940736.db2.gz BEYMOMPHYHHUKR-BHYGNILZSA-N 1 0 354.491 1.517 10 0 FDAERO C[C@H]1C[N@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246452787 536957192 /nfs/dbraw/zinc/95/71/92/536957192.db2.gz MVUAWXHYTKEILJ-AZUAARDMSA-N 1 0 374.529 1.282 10 0 FDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246475606 536961218 /nfs/dbraw/zinc/96/12/18/536961218.db2.gz QHNGWNVGTVJYMU-SWLSCSKDSA-N 1 0 354.476 1.908 10 0 FDAERO C[C@H](O)C[N@@H+]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@@H]1C ZINC000246483539 536963590 /nfs/dbraw/zinc/96/35/90/536963590.db2.gz XXHBILXLGGKHRK-ZQIUZPCESA-N 1 0 351.878 1.832 10 0 FDAERO CC(=O)OC(C)(C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000188897641 536967085 /nfs/dbraw/zinc/96/70/85/536967085.db2.gz PNMCXJNWIYSHFS-GOSISDBHSA-N 1 0 362.470 1.890 10 0 FDAERO C[N@@H+]1CC[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)[C@@H]1c1ccccc1 ZINC000188909998 536968866 /nfs/dbraw/zinc/96/88/66/536968866.db2.gz XUFXNVFTWWANLG-ROUUACIJSA-N 1 0 356.470 1.742 10 0 FDAERO COC[C@H]([NH3+])C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000263076953 536970569 /nfs/dbraw/zinc/97/05/69/536970569.db2.gz CNPCURZUWHMMAT-INIZCTEOSA-N 1 0 360.483 1.428 10 0 FDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000246534611 536975356 /nfs/dbraw/zinc/97/53/56/536975356.db2.gz JLTVXNQIXFPHEH-DOTOQJQBSA-N 1 0 369.469 1.715 10 0 FDAERO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000246577589 536984638 /nfs/dbraw/zinc/98/46/38/536984638.db2.gz WMFJDBORLZBCAG-DAYGRLMNSA-N 1 0 374.547 1.658 10 0 FDAERO COc1ccccc1-c1nn(C)cc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263168299 536986613 /nfs/dbraw/zinc/98/66/13/536986613.db2.gz FMPRREHCCYLPHZ-AWEZNQCLSA-N 1 0 354.414 1.722 10 0 FDAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000263185999 536988681 /nfs/dbraw/zinc/98/86/81/536988681.db2.gz HHNDAXRMFOKUGS-GOEBONIOSA-N 1 0 373.432 1.805 10 0 FDAERO C[C@H](c1ccccc1)N1C[C@H](c2nc([C@@H]3C[NH2+]CCN3C)no2)CC1=O ZINC000263212713 536993557 /nfs/dbraw/zinc/99/35/57/536993557.db2.gz KMGLSMMBSVHPBH-BMFZPTHFSA-N 1 0 355.442 1.723 10 0 FDAERO Cc1nc(COc2ccccc2C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)no1 ZINC000246638719 536995063 /nfs/dbraw/zinc/99/50/63/536995063.db2.gz FPKUDQZQMDVNOZ-KBPBESRZSA-N 1 0 374.441 1.484 10 0 FDAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCN(c3ccc(F)c(F)c3)C2=O)n1 ZINC000263243134 537000019 /nfs/dbraw/zinc/00/00/19/537000019.db2.gz OXSZMEPSWKOYRT-BXUZGUMPSA-N 1 0 363.368 1.444 10 0 FDAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000263263886 537003865 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CCC[C@H](C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)[NH+](C)C ZINC000135961152 524177501 /nfs/dbraw/zinc/17/75/01/524177501.db2.gz PETBXGQLSWAMPP-QGZVFWFLSA-N 1 0 365.449 1.606 10 0 FDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N3CCc4ccccc43)CC2)C1 ZINC000172310635 524197418 /nfs/dbraw/zinc/19/74/18/524197418.db2.gz UTMROIDIFRSOOT-IBGZPJMESA-N 1 0 372.513 1.896 10 0 FDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000157064297 524201960 /nfs/dbraw/zinc/20/19/60/524201960.db2.gz KCKBNJFCIPKFHT-WBVHZDCISA-N 1 0 361.490 1.446 10 0 FDAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1noc(-c2ccccc2)n1 ZINC000121303935 524214505 /nfs/dbraw/zinc/21/45/05/524214505.db2.gz NZMYMURESXGYMR-HOCLYGCPSA-N 1 0 373.457 1.944 10 0 FDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)C[C@H]1C ZINC000136816692 524215531 /nfs/dbraw/zinc/21/55/31/524215531.db2.gz QZNMNJBGVUFDOB-ZIAGYGMSSA-N 1 0 360.458 1.514 10 0 FDAERO CC(C)CC(=O)N[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)C(C)C ZINC000172461896 524223905 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FDAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2nc3ccc(F)cc3s2)CCO1 ZINC000112345776 524464278 /nfs/dbraw/zinc/46/42/78/524464278.db2.gz ISHGDWFCCPFKRN-LBPRGKRZSA-N 1 0 352.435 1.636 10 0 FDAERO CCC[C@H](C)CS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173899871 524481074 /nfs/dbraw/zinc/48/10/74/524481074.db2.gz TXOOCZBLJNYZCR-UONOGXRCSA-N 1 0 355.508 1.843 10 0 FDAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000174004692 524503911 /nfs/dbraw/zinc/50/39/11/524503911.db2.gz ZIXDLMOPNCLBGM-BBRMVZONSA-N 1 0 374.528 1.238 10 0 FDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NCc1cccc(OC)c1)CC2 ZINC000112551156 524506701 /nfs/dbraw/zinc/50/67/01/524506701.db2.gz KUCXEIMFKJKHKH-DZGCQCFKSA-N 1 0 357.458 1.458 10 0 FDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCN2C(=O)COc3ccccc32)C1 ZINC000174238759 524530755 /nfs/dbraw/zinc/53/07/55/524530755.db2.gz BNKQNVUHRLZOJK-HNNXBMFYSA-N 1 0 360.458 1.586 10 0 FDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000158860840 524541067 /nfs/dbraw/zinc/54/10/67/524541067.db2.gz QWHMFUOIQJMLFM-WBVHZDCISA-N 1 0 350.507 1.759 10 0 FDAERO CCc1n[nH]c(=O)c(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1CC ZINC000158896755 524549254 /nfs/dbraw/zinc/54/92/54/524549254.db2.gz JCJCIHIIPSRAKS-SFHVURJKSA-N 1 0 356.470 1.684 10 0 FDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)Cc3cccs3)CC2)C1 ZINC000112728814 524555878 /nfs/dbraw/zinc/55/58/78/524555878.db2.gz AYORZXSFWALVQE-MRXNPFEDSA-N 1 0 351.516 1.544 10 0 FDAERO Cc1nc(CN2CCCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)no1 ZINC000112911582 524587276 /nfs/dbraw/zinc/58/72/76/524587276.db2.gz DBGZLONJUNFGGT-SFHVURJKSA-N 1 0 371.485 1.585 10 0 FDAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000122701619 524596735 /nfs/dbraw/zinc/59/67/35/524596735.db2.gz AAYQYXBDBRCHEY-RDJZCZTQSA-N 1 0 372.473 1.474 10 0 FDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000113230998 524643019 /nfs/dbraw/zinc/64/30/19/524643019.db2.gz AXQXTOOXHQCYJM-QRQLOZEOSA-N 1 0 355.482 1.915 10 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ZINC000174683972 524689621 /nfs/dbraw/zinc/68/96/21/524689621.db2.gz LSCFIPNTUIPRHL-OAHLLOKOSA-N 1 0 368.503 1.125 10 0 FDAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3ccccc3C)nn2C)C1 ZINC000151868822 524711303 /nfs/dbraw/zinc/71/13/03/524711303.db2.gz ISVXVOAOQFHTIK-HNNXBMFYSA-N 1 0 369.469 1.935 10 0 FDAERO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)ncn1 ZINC000174735808 524715655 /nfs/dbraw/zinc/71/56/55/524715655.db2.gz AEKZNFBTVRUKJC-HIFRSBDPSA-N 1 0 361.494 1.269 10 0 FDAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccn(C)c1=O ZINC000174739537 524717915 /nfs/dbraw/zinc/71/79/15/524717915.db2.gz YMDGEIVXYGDWKX-SFHVURJKSA-N 1 0 356.470 1.662 10 0 FDAERO CNc1cc(N2CCC[C@H]2CNC(=O)NCC2CC[NH+](C)CC2)ncn1 ZINC000174746898 524723381 /nfs/dbraw/zinc/72/33/81/524723381.db2.gz CHEOQCLAYODXNL-HNNXBMFYSA-N 1 0 361.494 1.128 10 0 FDAERO CCc1nnc(-c2cccc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](CC)C3)c2)o1 ZINC000174768792 524730562 /nfs/dbraw/zinc/73/05/62/524730562.db2.gz MOELEJQCHWTXKF-HNNXBMFYSA-N 1 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524820412 /nfs/dbraw/zinc/82/04/12/524820412.db2.gz BHPVEUBCVDOBNK-HNNXBMFYSA-N 1 0 362.478 1.698 10 0 FDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCn1nnc2ccccc2c1=O ZINC000175026511 524840298 /nfs/dbraw/zinc/84/02/98/524840298.db2.gz FUOSQCWWNMCAHJ-LSDHHAIUSA-N 1 0 355.442 1.267 10 0 FDAERO CNC(=O)CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175041836 524848140 /nfs/dbraw/zinc/84/81/40/524848140.db2.gz NVYUTUCYMFQKMZ-KGLIPLIRSA-N 1 0 368.503 1.287 10 0 FDAERO CC[C@@H]1CN(CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000114719631 524858775 /nfs/dbraw/zinc/85/87/75/524858775.db2.gz IAJFCYFXINZGNI-CRAIPNDOSA-N 1 0 351.466 1.561 10 0 FDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000152407297 524877429 /nfs/dbraw/zinc/87/74/29/524877429.db2.gz MXLOELVPEVQFQC-SJORKVTESA-N 1 0 367.465 1.985 10 0 FDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cc(F)ccc3O)CC2)nc1 ZINC000175234311 524913495 /nfs/dbraw/zinc/91/34/95/524913495.db2.gz UOIMIIMUPKBEJC-UHFFFAOYSA-N 1 0 358.417 1.950 10 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10 0 FDAERO Cc1sc(=O)n(CCC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000176876195 525192488 /nfs/dbraw/zinc/19/24/88/525192488.db2.gz MNCVGYQLYGCSLJ-ZDUSSCGKSA-N 1 0 369.531 1.468 10 0 FDAERO CCC(=O)N1CCC[C@@H](C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000176877208 525192500 /nfs/dbraw/zinc/19/25/00/525192500.db2.gz LVGALPWOQWEHST-NVXWUHKLSA-N 1 0 353.507 1.186 10 0 FDAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)C[C@H]1CC ZINC000116768796 525208549 /nfs/dbraw/zinc/20/85/49/525208549.db2.gz DYQJFKPELAZABT-QGZVFWFLSA-N 1 0 362.470 1.960 10 0 FDAERO C[C@H](O)CCN(C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000153431201 525210273 /nfs/dbraw/zinc/21/02/73/525210273.db2.gz WOCUZTBIRRJWTR-QFBILLFUSA-N 1 0 363.502 1.844 10 0 FDAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CCO1 ZINC000116784027 525215182 /nfs/dbraw/zinc/21/51/82/525215182.db2.gz CKLVXPOOOYAGGI-IRXDYDNUSA-N 1 0 360.458 1.472 10 0 FDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000176998214 525215857 /nfs/dbraw/zinc/21/58/57/525215857.db2.gz OCYFVKGNARPNPT-QGZVFWFLSA-N 1 0 365.499 1.783 10 0 FDAERO CC(C)CC(=O)N[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116786961 525216649 /nfs/dbraw/zinc/21/66/49/525216649.db2.gz JUISOWZAFTUWHY-IEBWSBKVSA-N 1 0 361.486 1.679 10 0 FDAERO Cc1cc(C)n(Cc2ccc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2)n1 ZINC000116797221 525223021 /nfs/dbraw/zinc/22/30/21/525223021.db2.gz UPSLVNRQVJNGCB-LJQANCHMSA-N 1 0 356.470 1.951 10 0 FDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)CCO1 ZINC000116796773 525223334 /nfs/dbraw/zinc/22/33/34/525223334.db2.gz CULBWZRFSGOFEX-QZTJIDSGSA-N 1 0 363.527 1.566 10 0 FDAERO CSCCCNC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000153506919 525232270 /nfs/dbraw/zinc/23/22/70/525232270.db2.gz MYMMCESUEGZAQI-UHFFFAOYSA-N 1 0 351.520 1.728 10 0 FDAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 ZINC000116900473 525248862 /nfs/dbraw/zinc/24/88/62/525248862.db2.gz WXYPQLWIOWJYRG-LBPRGKRZSA-N 1 0 352.378 1.657 10 0 FDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)CCO1 ZINC000117034796 525272047 /nfs/dbraw/zinc/27/20/47/525272047.db2.gz HLNNJORDCCPVCF-LLVKDONJSA-N 1 0 362.293 1.983 10 0 FDAERO CCOCC[N@@H+]1CCN(C(=O)NCCCc2cnn(C)c2)C[C@H]1CC ZINC000117043999 525277194 /nfs/dbraw/zinc/27/71/94/525277194.db2.gz GSWJTJSUCCQBMX-QGZVFWFLSA-N 1 0 351.495 1.495 10 0 FDAERO CC[C@@H]1CN(C(=O)CCc2ccc(C(=O)OC)cc2)CC[N@@H+]1CCOC ZINC000117302835 525312638 /nfs/dbraw/zinc/31/26/38/525312638.db2.gz COPIAZZHESUVNE-GOSISDBHSA-N 1 0 362.470 1.975 10 0 FDAERO CC[C@@H]1CN(C(=O)CCNC(=O)c2cccs2)CC[N@@H+]1CCOC ZINC000117302556 525312793 /nfs/dbraw/zinc/31/27/93/525312793.db2.gz SQJHVJXGWFLOEO-CQSZACIVSA-N 1 0 353.488 1.437 10 0 FDAERO CCOCC[N@@H+]1CCN(Cc2csc(CC(=O)NC)n2)C[C@@H]1CC ZINC000177599303 525317772 /nfs/dbraw/zinc/31/77/72/525317772.db2.gz JLZVYWMWZJMTKB-HNNXBMFYSA-N 1 0 354.520 1.364 10 0 FDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCCc3ccccc3)CC2)C1 ZINC000117399536 525331561 /nfs/dbraw/zinc/33/15/61/525331561.db2.gz 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CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000153983533 525381209 /nfs/dbraw/zinc/38/12/09/525381209.db2.gz ADCJCOUUBRGSIV-SJORKVTESA-N 1 0 360.420 1.997 10 0 FDAERO Cc1cnn(CCNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000118060038 525429332 /nfs/dbraw/zinc/42/93/32/525429332.db2.gz IIKOHZKLOMAWJQ-UHFFFAOYSA-N 1 0 370.501 1.703 10 0 FDAERO O[C@H](COc1ccc(Br)cc1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178634258 525455931 /nfs/dbraw/zinc/45/59/31/525455931.db2.gz IWBURUBBKFCSRN-CABCVRRESA-N 1 0 355.276 1.969 10 0 FDAERO CN1CCO[C@H](CNC(=O)N(CCCc2ccccc2)CC[NH+](C)C)C1 ZINC000105279877 525485521 /nfs/dbraw/zinc/48/55/21/525485521.db2.gz QHBOIZGXCJATRA-LJQANCHMSA-N 1 0 362.518 1.523 10 0 FDAERO CN1CCO[C@H](CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000105278998 525485632 /nfs/dbraw/zinc/48/56/32/525485632.db2.gz PECXMHMCBIVUNC-GOSISDBHSA-N 1 0 352.523 1.615 10 0 FDAERO CC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000118857401 525566313 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