smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1 ZINC000160264140 197396361 /nfs/dbraw/zinc/39/63/61/197396361.db2.gz XLPQTDHISUKLAX-MRXNPFEDSA-N 1 0 321.384 1.653 50 70 DDIARO Cn1cc([C@H](NC(=O)C[NH+]2CCCCCC2)C2CC(O)C2)cn1 ZINC000218107477 407511622 /nfs/dbraw/zinc/51/16/22/407511622.db2.gz FAOFOFMDNKINMR-PUJMQQBBSA-N 1 0 320.437 1.224 50 70 DDIARO COc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)cn1 ZINC000218311097 407515641 /nfs/dbraw/zinc/51/56/41/407515641.db2.gz NZIFZMFGCFDBRD-SLBVQIDZSA-N 1 0 317.389 1.072 50 70 DDIARO Cn1nccc1CCNC(=O)CCC[NH+]1Cc2ccccc2C1 ZINC000217113074 484144668 /nfs/dbraw/zinc/14/46/68/484144668.db2.gz TVINAXJXTAWCOY-UHFFFAOYSA-N 1 0 312.417 1.875 50 70 DDIARO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(SCCO)cc1 ZINC000217880356 407510063 /nfs/dbraw/zinc/51/00/63/407510063.db2.gz WMYZXGARUGDLJY-AWEZNQCLSA-N 1 0 308.447 1.985 50 70 DDIARO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](CC(C)C)C2)cc(=O)[nH]1 ZINC000217774023 407506736 /nfs/dbraw/zinc/50/67/36/407506736.db2.gz ZMOLUEZOYOHXJF-CQSZACIVSA-N 1 0 305.422 1.733 50 70 DDIARO O[C@@H]1CN(Cc2cc(C3CC3)n[nH]2)CCN(c2cc[nH+]cc2)C1 ZINC000216989198 418560255 /nfs/dbraw/zinc/56/02/55/418560255.db2.gz WPEDXPHVQZHIRY-MRXNPFEDSA-N 1 0 313.405 1.365 50 70 DDIARO O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000160991468 408546913 /nfs/dbraw/zinc/54/69/13/408546913.db2.gz SMRHXUYUKYXGMU-UBHSHLNASA-N 1 0 312.377 1.522 50 70 DDIARO Cc1nc([C@H](NC(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2F)no1 ZINC000160139152 197388493 /nfs/dbraw/zinc/38/84/93/197388493.db2.gz LAZQDMNHTDNFIJ-BXUZGUMPSA-N 1 0 318.352 1.722 50 70 DDIARO CCc1nccn1CCC(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000217785337 407508197 /nfs/dbraw/zinc/50/81/97/407508197.db2.gz MUGVQNPNTXNGLF-UHFFFAOYSA-N 1 0 302.382 1.360 50 70 DDIARO CSCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000160840372 408529698 /nfs/dbraw/zinc/52/96/98/408529698.db2.gz QJOGBUHKEGBQFR-LSDHHAIUSA-N 1 0 308.447 1.975 50 70 DDIARO O=C(N[C@H]1C[C@@H]2OCC[C@H]12)C1(c2ccccc2)CC[NH2+]CC1 ZINC000218579684 257273790 /nfs/dbraw/zinc/27/37/90/257273790.db2.gz MXKIONFGHXYXAB-PMPSAXMXSA-N 1 0 300.402 1.601 50 70 DDIARO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160274936 197397814 /nfs/dbraw/zinc/39/78/14/197397814.db2.gz VZRLWMPZZPNVHR-NXEZZACHSA-N 1 0 313.195 1.776 50 70 DDIARO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160260310 197396126 /nfs/dbraw/zinc/39/61/26/197396126.db2.gz XZWRKMYEWYZNFE-JTQLQIEISA-N 1 0 314.382 1.183 50 70 DDIARO COCc1cc(CNc2cc(C3CC([NH3+])C3)nc(C)n2)[nH]n1 ZINC000218593249 257274092 /nfs/dbraw/zinc/27/40/92/257274092.db2.gz GWICCOZPGQAQSQ-UHFFFAOYSA-N 1 0 302.382 1.471 50 70 DDIARO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1 ZINC000161341878 197487760 /nfs/dbraw/zinc/48/77/60/197487760.db2.gz VXPAEXWCHQBXSP-LSDHHAIUSA-N 1 0 318.421 1.305 50 70 DDIARO CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161338782 197486449 /nfs/dbraw/zinc/48/64/49/197486449.db2.gz YWTTXWKCGWCOHO-JOZWUWCOSA-N 1 0 301.390 1.270 50 70 DDIARO Cc1cc(=O)cc(C(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)o1 ZINC000217712755 407508746 /nfs/dbraw/zinc/50/87/46/407508746.db2.gz IFFROFLKXRILGA-OAHLLOKOSA-N 1 0 320.389 1.275 50 70 DDIARO COCCN1C[C@@H](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1=O ZINC000218195825 407516099 /nfs/dbraw/zinc/51/60/99/407516099.db2.gz VVWNSJCLYASNSQ-INIZCTEOSA-N 1 0 317.433 1.134 50 70 DDIARO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@](O)(C(F)(F)F)C1 ZINC000160700768 408515446 /nfs/dbraw/zinc/51/54/46/408515446.db2.gz UMLYXGCLTHNMGR-JAUFEGHXSA-N 1 0 306.328 1.433 50 70 DDIARO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1 ZINC000161341708 283594073 /nfs/dbraw/zinc/59/40/73/283594073.db2.gz VXPAEXWCHQBXSP-HUUCEWRRSA-N 1 0 318.421 1.305 50 70 DDIARO O=C(N1CC[NH2+]CC1)C1(c2ccccc2Cl)CCOCC1 ZINC000159408344 197351329 /nfs/dbraw/zinc/35/13/29/197351329.db2.gz SZOGZBKGHQCRDM-UHFFFAOYSA-N 1 0 308.809 1.820 50 70 DDIARO CN(C)C(=O)OCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000159394205 354234102 /nfs/dbraw/zinc/23/41/02/354234102.db2.gz TZNLNDCZLYCZLR-LBPRGKRZSA-N 1 0 307.398 1.491 50 70 DDIARO Cc1cc(CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)on1 ZINC000218604629 257273971 /nfs/dbraw/zinc/27/39/71/257273971.db2.gz OPQKTSFRKHIGSF-AWEZNQCLSA-N 1 0 307.394 1.285 50 70 DDIARO O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000160991737 408547390 /nfs/dbraw/zinc/54/73/90/408547390.db2.gz SMRHXUYUKYXGMU-XBFCOCLRSA-N 1 0 312.377 1.522 50 70 DDIARO C[NH+]1CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000218538020 333393797 /nfs/dbraw/zinc/39/37/97/333393797.db2.gz WXLSWACNYMVNJL-UHFFFAOYSA-N 1 0 301.346 1.004 50 70 DDIARO Cc1cccnc1C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000218062054 201531974 /nfs/dbraw/zinc/53/19/74/201531974.db2.gz FHYBNXWRTMYDDG-UHFFFAOYSA-N 1 0 303.406 1.453 50 70 DDIARO CC[C@@H](Cn1ccnc1)NC(=O)CCc1c(C)nc(=O)[nH]c1C ZINC000218040505 484146854 /nfs/dbraw/zinc/14/68/54/484146854.db2.gz MBVPUROONOTBQA-ZDUSSCGKSA-N 1 0 317.393 1.523 50 70 DDIARO COCc1nc(N[C@@H](C)c2nnc(C)[nH]2)cc(C2CC([NH3+])C2)n1 ZINC000218238175 407515347 /nfs/dbraw/zinc/51/53/47/407515347.db2.gz ILDCNHOVOWHQIM-PUSIOWJLSA-N 1 0 317.397 1.427 50 70 DDIARO C[NH2+]C[C@H]1CCCN1C(=O)C1=Cc2ccc(OC)cc2OC1 ZINC000161339701 354242640 /nfs/dbraw/zinc/24/26/40/354242640.db2.gz XGHGIKKTRFNKPV-CQSZACIVSA-N 1 0 302.374 1.681 50 70 DDIARO COc1cc(F)c(CN2CCN3CC[N@H+](C)C[C@@H]3C2)c(F)c1 ZINC000217030850 407499138 /nfs/dbraw/zinc/49/91/38/407499138.db2.gz CMEAJDSYRMEESW-GFCCVEGCSA-N 1 0 311.376 1.405 50 70 DDIARO COc1ccc2cc(C(=O)N[C@H]3[C@@H]4OCC[C@@H]4[C@@H]3[NH3+])n(C)c2c1 ZINC000218462120 407519014 /nfs/dbraw/zinc/51/90/14/407519014.db2.gz UMFZMYYEMQYSOG-MSQAHXEGSA-N 1 0 315.373 1.031 50 70 DDIARO [NH3+]C1CC(c2cc(NCCc3noc(C4CC4)n3)ncn2)C1 ZINC000218378553 407519747 /nfs/dbraw/zinc/51/97/47/407519747.db2.gz KEADXIRZHVKNJQ-UHFFFAOYSA-N 1 0 300.366 1.596 50 70 DDIARO CC1=C(C(=O)N[C@@H](c2nccn2C)C(C)C)SC2=NCCN12 ZINC000218629701 407521497 /nfs/dbraw/zinc/52/14/97/407521497.db2.gz LRLRHZSWEGYQRH-LLVKDONJSA-N 1 0 319.434 1.883 50 70 DDIARO CCOCC[N@@H+]1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000216643525 354312976 /nfs/dbraw/zinc/31/29/76/354312976.db2.gz KRSMHEJNKKJNEM-INIZCTEOSA-N 1 0 310.413 1.731 50 70 DDIARO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000218294752 407515982 /nfs/dbraw/zinc/51/59/82/407515982.db2.gz NCYCDTAKOSSDAJ-UHFFFAOYSA-N 1 0 324.432 1.590 50 70 DDIARO Nc1nccc(C2CCN(C(=O)C[NH+]3CCCCCC3)CC2)n1 ZINC000217125515 333390078 /nfs/dbraw/zinc/39/00/78/333390078.db2.gz RVMHETCXQGWBKM-UHFFFAOYSA-N 1 0 317.437 1.641 50 70 DDIARO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](CC(C)C)C2)cc(=O)[nH]1 ZINC000217773941 407508122 /nfs/dbraw/zinc/50/81/22/407508122.db2.gz ZMOLUEZOYOHXJF-AWEZNQCLSA-N 1 0 305.422 1.733 50 70 DDIARO Cc1cc(C(=O)NCCCOC2CC[NH+](C)CC2)nc(C)n1 ZINC000218546117 333393697 /nfs/dbraw/zinc/39/36/97/333393697.db2.gz CLOSQRHUZYYEHA-UHFFFAOYSA-N 1 0 306.410 1.324 50 70 DDIARO O=C(NCC[NH2+]C1CCCCCC1)c1cn2cccnc2n1 ZINC000159691035 354235117 /nfs/dbraw/zinc/23/51/17/354235117.db2.gz VZVTYZKAMKOYMY-UHFFFAOYSA-N 1 0 301.394 1.772 50 70 DDIARO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000217854029 407509406 /nfs/dbraw/zinc/50/94/06/407509406.db2.gz SGYUJGDDELVTQA-XXILOJSOSA-N 1 0 302.296 1.605 50 70 DDIARO COCc1cc(CNC(=O)C2([NH+]3CCCC3)CCCC2)[nH]n1 ZINC000218141842 407512749 /nfs/dbraw/zinc/51/27/49/407512749.db2.gz JGICBVGKPJTJDU-UHFFFAOYSA-N 1 0 306.410 1.581 50 70 DDIARO Cc1nc(C2CCN(c3cc(C4CC([NH3+])C4)ncn3)CC2)n[nH]1 ZINC000218131500 407513466 /nfs/dbraw/zinc/51/34/66/407513466.db2.gz PTYWMGUUFIQMFK-UHFFFAOYSA-N 1 0 313.409 1.492 50 70 DDIARO CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161338674 408590582 /nfs/dbraw/zinc/59/05/82/408590582.db2.gz YWTTXWKCGWCOHO-VSGCLNPGSA-N 1 0 301.390 1.270 50 70 DDIARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000218632920 284246216 /nfs/dbraw/zinc/24/62/16/284246216.db2.gz GUJBYGNHOGETCM-IRXDYDNUSA-N 1 0 311.385 1.828 50 70 DDIARO Cc1ccccc1SCC(=O)NC[C@H]1COCC[N@@H+](C)C1 ZINC000218649869 407523189 /nfs/dbraw/zinc/52/31/89/407523189.db2.gz IBRNWXAXJCGGLP-CQSZACIVSA-N 1 0 308.447 1.782 50 70 DDIARO CCO[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1O ZINC000218571214 257273791 /nfs/dbraw/zinc/27/37/91/257273791.db2.gz ZKFXOUHOIUCENW-OALUTQOASA-N 1 0 318.461 1.775 50 70 DDIARO COC1CC[NH+](C2CCN(C(=O)c3cnc(C)cn3)CC2)CC1 ZINC000217778801 407508379 /nfs/dbraw/zinc/50/83/79/407508379.db2.gz APDGFKIOALEYBF-UHFFFAOYSA-N 1 0 318.421 1.500 50 70 DDIARO COc1cc(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)on1 ZINC000217847942 407510331 /nfs/dbraw/zinc/51/03/31/407510331.db2.gz XMDCTOKPJQLETG-DZGCQCFKSA-N 1 0 321.421 1.997 50 70 DDIARO C[C@@H](C1CCN(C(=O)Cn2ccc(=O)cc2)CC1)[NH+]1CCCC1 ZINC000218104753 407512391 /nfs/dbraw/zinc/51/23/91/407512391.db2.gz NGHLVNAOOYUQJW-HNNXBMFYSA-N 1 0 317.433 1.571 50 70 DDIARO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000160314627 197399791 /nfs/dbraw/zinc/39/97/91/197399791.db2.gz DDXNQADBFDFRPG-OAHLLOKOSA-N 1 0 301.390 1.372 50 70 DDIARO Cc1nonc1CC(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000217151426 484144073 /nfs/dbraw/zinc/14/40/73/484144073.db2.gz SFCDWRVZHUAYSW-TXEJJXNPSA-N 1 0 322.409 1.021 50 70 DDIARO Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)Cc2c[nH]cn2)cn1 ZINC000218740589 407521651 /nfs/dbraw/zinc/52/16/51/407521651.db2.gz RWCGNABDRYLWDQ-CABCVRRESA-N 1 0 316.361 1.008 50 70 DDIARO Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC[NH2+]CC1 ZINC000160830012 408526912 /nfs/dbraw/zinc/52/69/12/408526912.db2.gz JLHDGCBPVBYJKQ-UHFFFAOYSA-N 1 0 305.407 1.288 50 70 DDIARO CC(C)n1cc(CNC(=O)CC[C@@H](C)[NH+]2CCOCC2)cn1 ZINC000218768261 407524795 /nfs/dbraw/zinc/52/47/95/407524795.db2.gz INGKBLDTJGWAHN-CQSZACIVSA-N 1 0 308.426 1.581 50 70 DDIARO CC(=O)c1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)CC2)n(C)c1 ZINC000217518791 407505512 /nfs/dbraw/zinc/50/55/12/407505512.db2.gz OXAZDENLMFTMCL-INIZCTEOSA-N 1 0 305.378 1.692 50 70 DDIARO CCOC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160065712 197383604 /nfs/dbraw/zinc/38/36/04/197383604.db2.gz VKABRXOBNFDQBJ-RHSMWYFYSA-N 1 0 302.418 1.976 50 70 DDIARO CC(C)c1noc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)n1 ZINC000218093299 407512997 /nfs/dbraw/zinc/51/29/97/407512997.db2.gz FKARDXYJLJUYAH-UHFFFAOYSA-N 1 0 317.397 1.406 50 70 DDIARO CCOC[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160065603 197383493 /nfs/dbraw/zinc/38/34/93/197383493.db2.gz VKABRXOBNFDQBJ-YOEHRIQHSA-N 1 0 302.418 1.976 50 70 DDIARO COCCN(C)CC(=O)N[C@H](C)c1nc2cc(C)ccc2[nH]1 ZINC000217744452 407507949 /nfs/dbraw/zinc/50/79/49/407507949.db2.gz KCAKSYCTANVFKC-GFCCVEGCSA-N 1 0 304.394 1.627 50 70 DDIARO CSCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000160843457 408529918 /nfs/dbraw/zinc/52/99/18/408529918.db2.gz QJOGBUHKEGBQFR-HUUCEWRRSA-N 1 0 308.447 1.975 50 70 DDIARO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](NC(N)=O)c1cccc(C)c1 ZINC000161341791 408588872 /nfs/dbraw/zinc/58/88/72/408588872.db2.gz VXPAEXWCHQBXSP-CABCVRRESA-N 1 0 318.421 1.305 50 70 DDIARO CC[C@@H](NC(=O)CN1CCC[N@H+](C)CC1)c1ncccc1C ZINC000218769029 407525999 /nfs/dbraw/zinc/52/59/99/407525999.db2.gz FJYMLNIGFTVKTD-OAHLLOKOSA-N 1 0 304.438 1.595 50 70 DDIARO Nc1nc(NCc2ccc3c(c2)OCO3)cc(C2CC(O)C2)[nH+]1 ZINC000218781639 407524057 /nfs/dbraw/zinc/52/40/57/407524057.db2.gz PEOGAJKPSVPRKF-UHFFFAOYSA-N 1 0 314.345 1.638 50 70 DDIARO OC[C@H](O)c1cc2n(n1)CCN(Cc1cccc3cc[nH]c31)C2 ZINC000217446991 407504914 /nfs/dbraw/zinc/50/49/14/407504914.db2.gz XCZVDFVXRADDMS-INIZCTEOSA-N 1 0 312.373 1.406 50 70 DDIARO COc1ccc(-c2nc3c([nH]2)C[N@H+](C[C@H]2CCOC2)CC3)cn1 ZINC000218508799 407518871 /nfs/dbraw/zinc/51/88/71/407518871.db2.gz VTCBIHIBQYZEOQ-GFCCVEGCSA-N 1 0 314.389 1.875 50 70 DDIARO CN(Cc1nccn1Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC000218587851 257274202 /nfs/dbraw/zinc/27/42/02/257274202.db2.gz VGCMJGMIYFLSIV-UHFFFAOYSA-N 1 0 312.417 1.986 50 70 DDIARO Cc1ccccc1SCC(=O)NC[C@@H]1COCC[N@@H+](C)C1 ZINC000218649804 407520890 /nfs/dbraw/zinc/52/08/90/407520890.db2.gz IBRNWXAXJCGGLP-AWEZNQCLSA-N 1 0 308.447 1.782 50 70 DDIARO CC[C@](C)(O)C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000161321532 408585933 /nfs/dbraw/zinc/58/59/33/408585933.db2.gz LGGWZSOMTMXTFD-HNNXBMFYSA-N 1 0 314.451 1.366 50 70 DDIARO O[C@@H]1CCOC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000217484536 407505874 /nfs/dbraw/zinc/50/58/74/407505874.db2.gz NRACSDNWKPIFKB-QZTJIDSGSA-N 1 0 304.434 1.433 50 70 DDIARO COc1ccc2ncc(C(=O)NCCc3c[nH]cn3)c(O)c2c1 ZINC000217674208 407506667 /nfs/dbraw/zinc/50/66/67/407506667.db2.gz BXOKGKMYEKYNNF-UHFFFAOYSA-N 1 0 312.329 1.645 50 70 DDIARO Cc1c[nH+]ccc1N1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000218445755 407519771 /nfs/dbraw/zinc/51/97/71/407519771.db2.gz BTSGNFXTIWKYHC-UHFFFAOYSA-N 1 0 321.331 1.944 50 70 DDIARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1[O-] ZINC000218698982 407520717 /nfs/dbraw/zinc/52/07/17/407520717.db2.gz AVSCYTWUOPFMJY-ZDUSSCGKSA-N 1 0 322.380 1.905 50 70 DDIARO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000217853878 257240199 /nfs/dbraw/zinc/24/01/99/257240199.db2.gz SGYUJGDDELVTQA-AXTRIDKLSA-N 1 0 302.296 1.605 50 70 DDIARO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000160066436 337383463 /nfs/dbraw/zinc/38/34/63/337383463.db2.gz VPESJCJLPZFYNP-UHFFFAOYSA-N 1 0 324.469 1.404 50 70 DDIARO O=C(CCc1cccnc1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000218282801 283797126 /nfs/dbraw/zinc/79/71/26/283797126.db2.gz JGMNLGOJHIYJFZ-HOTGVXAUSA-N 1 0 303.406 1.072 50 70 DDIARO O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000159451014 408408175 /nfs/dbraw/zinc/40/81/75/408408175.db2.gz WRYHRFUAYBZXSD-UHFFFAOYSA-N 1 0 324.306 1.937 50 70 DDIARO CC[C@H](Cn1ccnc1)NC(=O)CCc1c(C)nc(=O)[nH]c1C ZINC000218040582 484146898 /nfs/dbraw/zinc/14/68/98/484146898.db2.gz MBVPUROONOTBQA-CYBMUJFWSA-N 1 0 317.393 1.523 50 70 DDIARO OC[C@@H](O)c1cc2n(n1)CCN(Cc1cccc3cc[nH]c31)C2 ZINC000217446878 407503654 /nfs/dbraw/zinc/50/36/54/407503654.db2.gz XCZVDFVXRADDMS-MRXNPFEDSA-N 1 0 312.373 1.406 50 70 DDIARO O=C(NC[C@@]1(O)CCC[NH2+]C1)c1ccc2ccccc2c1O ZINC000216936940 484142864 /nfs/dbraw/zinc/14/28/64/484142864.db2.gz VWRWJCYTOPSDBJ-QGZVFWFLSA-N 1 0 300.358 1.390 50 70 DDIARO OCc1cc2n(n1)CCN(C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000217181171 484144604 /nfs/dbraw/zinc/14/46/04/484144604.db2.gz FNTQOOUSCOMTRJ-UHFFFAOYSA-N 1 0 316.405 1.449 50 70 DDIARO Cc1cc(=O)cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000218282695 407515554 /nfs/dbraw/zinc/51/55/54/407515554.db2.gz NVANNPWFVPEVNK-UHFFFAOYSA-N 1 0 320.389 1.321 50 70 DDIARO CCc1nccn1CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000217180115 484144414 /nfs/dbraw/zinc/14/44/14/484144414.db2.gz LNZTYFKENLUEDD-OAHLLOKOSA-N 1 0 304.438 1.922 50 70 DDIARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccncc1Cl ZINC000217997807 484146202 /nfs/dbraw/zinc/14/62/02/484146202.db2.gz NPEMXTHHRLTWAW-FAAHXZRKSA-N 1 0 321.808 1.717 50 70 DDIARO Cc1nc([C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2F)no1 ZINC000160139277 197389031 /nfs/dbraw/zinc/38/90/31/197389031.db2.gz LAZQDMNHTDNFIJ-RISCZKNCSA-N 1 0 318.352 1.722 50 70 DDIARO CCO[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2C[NH2+]CCO2)C12CCCC2 ZINC000160620247 408504737 /nfs/dbraw/zinc/50/47/37/408504737.db2.gz REVGYRASURNYMK-QLFBSQMISA-N 1 0 310.438 1.561 50 70 DDIARO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccc(C)cc1OC ZINC000161167902 354242895 /nfs/dbraw/zinc/24/28/95/354242895.db2.gz APQCSPWIPAVUMP-CQSZACIVSA-N 1 0 306.406 1.983 50 70 DDIARO COc1cccc(N2CCC([NH2+][C@@H]3COCC[C@H]3O)CC2)c1 ZINC000217393341 407500913 /nfs/dbraw/zinc/50/09/13/407500913.db2.gz VAZZQHMDXAIOGI-IAGOWNOFSA-N 1 0 306.406 1.403 50 70 DDIARO C[C@@H](Cn1cncn1)NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000218338030 407516168 /nfs/dbraw/zinc/51/61/68/407516168.db2.gz KUDVMJFETIUXBL-ZDUSSCGKSA-N 1 0 317.393 1.288 50 70 DDIARO C[C@H](Cn1cncn1)NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000218338103 407516379 /nfs/dbraw/zinc/51/63/79/407516379.db2.gz KUDVMJFETIUXBL-CYBMUJFWSA-N 1 0 317.393 1.288 50 70 DDIARO CCCn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)c(C)n1 ZINC000218479306 407519099 /nfs/dbraw/zinc/51/90/99/407519099.db2.gz HPOZJCROCXBBKH-FAAHXZRKSA-N 1 0 306.410 1.049 50 70 DDIARO C[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCOC3)cc2)CC1 ZINC000218072037 407513574 /nfs/dbraw/zinc/51/35/74/407513574.db2.gz RDBOGHLPVUTOKX-AWEZNQCLSA-N 1 0 303.406 1.205 50 70 DDIARO Cc1nn(C)c(C)c1CN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000218229850 407515833 /nfs/dbraw/zinc/51/58/33/407515833.db2.gz KBSZIAONGKGNOV-UHFFFAOYSA-N 1 0 315.425 1.250 50 70 DDIARO COC(C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1)OC ZINC000161413516 408600628 /nfs/dbraw/zinc/60/06/28/408600628.db2.gz PXHAOZORNCCXAI-UHFFFAOYSA-N 1 0 324.396 1.521 50 70 DDIARO CSc1ccc(CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000217109013 484144038 /nfs/dbraw/zinc/14/40/38/484144038.db2.gz KEJYTXFKNODXFJ-CQSZACIVSA-N 1 0 307.463 1.313 50 70 DDIARO CC(=O)c1cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)CC2)n(C)c1 ZINC000217518874 407503176 /nfs/dbraw/zinc/50/31/76/407503176.db2.gz OXAZDENLMFTMCL-MRXNPFEDSA-N 1 0 305.378 1.692 50 70 DDIARO Cc1cc(=O)cc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000217712670 407507546 /nfs/dbraw/zinc/50/75/46/407507546.db2.gz IFFROFLKXRILGA-HNNXBMFYSA-N 1 0 320.389 1.275 50 70 DDIARO CCc1nc(C)cc(N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)n1 ZINC000218715698 407521199 /nfs/dbraw/zinc/52/11/99/407521199.db2.gz UJBASZIIWXDAFQ-OLZOCXBDSA-N 1 0 322.409 1.022 50 70 DDIARO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000160334115 197401426 /nfs/dbraw/zinc/40/14/26/197401426.db2.gz JYCHBMCTKQNYCB-OAHLLOKOSA-N 1 0 301.390 1.306 50 70 DDIARO CCOC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160065464 197383769 /nfs/dbraw/zinc/38/37/69/197383769.db2.gz VKABRXOBNFDQBJ-PBHICJAKSA-N 1 0 302.418 1.976 50 70 DDIARO CC(C)n1cc(CNC(=O)CC[C@H](C)[NH+]2CCOCC2)cn1 ZINC000218768337 407524405 /nfs/dbraw/zinc/52/44/05/407524405.db2.gz INGKBLDTJGWAHN-AWEZNQCLSA-N 1 0 308.426 1.581 50 70 DDIARO Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)cc(C)n1 ZINC000218262968 201534558 /nfs/dbraw/zinc/53/45/58/201534558.db2.gz BTKWDTVQCURZIE-CVEARBPZSA-N 1 0 321.421 1.164 50 70 DDIARO COc1cccc(CCNc2cc(C3CC([NH3+])C3)nc(N)n2)c1 ZINC000218716818 295294055 /nfs/dbraw/zinc/29/40/55/295294055.db2.gz KGURDTXPEYBEGH-UHFFFAOYSA-N 1 0 313.405 1.927 50 70 DDIARO COc1ccc(-c2nc3c([nH]2)C[N@H+](C[C@@H]2CCOC2)CC3)cn1 ZINC000218508715 407520061 /nfs/dbraw/zinc/52/00/61/407520061.db2.gz VTCBIHIBQYZEOQ-LBPRGKRZSA-N 1 0 314.389 1.875 50 70 DDIARO Cc1nc([C@H](NC(=O)[C@H]2CCC[NH2+]C2)c2ccccc2F)no1 ZINC000160139439 197388941 /nfs/dbraw/zinc/38/89/41/197388941.db2.gz LAZQDMNHTDNFIJ-SMDDNHRTSA-N 1 0 318.352 1.722 50 70 DDIARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2ccc(C(C)=O)s2)C1 ZINC000218206652 407514945 /nfs/dbraw/zinc/51/49/45/407514945.db2.gz LPCKSAVVSGFSEB-CYBMUJFWSA-N 1 0 324.446 1.991 50 70 DDIARO CCc1ccc(C(=O)N2CCC(CO)(C[NH+]3CCCC3)CC2)[nH]1 ZINC000218352869 407515177 /nfs/dbraw/zinc/51/51/77/407515177.db2.gz CAWSYNOACJPUTD-UHFFFAOYSA-N 1 0 319.449 1.888 50 70 DDIARO O=C(Cc1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160364809 408475105 /nfs/dbraw/zinc/47/51/05/408475105.db2.gz UVJVIXJLCWNGDN-HNNXBMFYSA-N 1 0 310.825 1.846 50 70 DDIARO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217848364 407509722 /nfs/dbraw/zinc/50/97/22/407509722.db2.gz SGMWQZDJGKEECU-YUSALJHKSA-N 1 0 312.822 1.716 50 70 DDIARO Cc1cc(F)ccc1N1CCC([NH2+][C@@H]2COCC[C@H]2O)CC1 ZINC000217408058 407501870 /nfs/dbraw/zinc/50/18/70/407501870.db2.gz SEGXDPIAXDCBEE-NVXWUHKLSA-N 1 0 308.397 1.842 50 70 DDIARO Cc1cc(C(=O)N2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc(=O)[nH]1 ZINC000217543762 407504150 /nfs/dbraw/zinc/50/41/50/407504150.db2.gz ZLVXMSPYPLITLU-QGZVFWFLSA-N 1 0 303.406 1.631 50 70 DDIARO C[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCOC3)cc2)CC1 ZINC000218072114 407512471 /nfs/dbraw/zinc/51/24/71/407512471.db2.gz RDBOGHLPVUTOKX-CQSZACIVSA-N 1 0 303.406 1.205 50 70 DDIARO Cc1nc2cc(CNC(=O)C[C@H]3C=CS(=O)(=O)C3)ccc2[nH]1 ZINC000217598505 407504064 /nfs/dbraw/zinc/50/40/64/407504064.db2.gz HBZURDDEXJYKGZ-GFCCVEGCSA-N 1 0 319.386 1.436 50 70 DDIARO O=C(c1cccc(=O)[nH]1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000217741435 407507786 /nfs/dbraw/zinc/50/77/86/407507786.db2.gz GSYBBDAJCGHCEX-UHFFFAOYSA-N 1 0 303.406 1.856 50 70 DDIARO COCc1cc(C[N@H+](C)C[C@@H](C)N2CCOCC2)ccc1OC ZINC000218459346 407518490 /nfs/dbraw/zinc/51/84/90/407518490.db2.gz URBBMXIKOQNZPC-OAHLLOKOSA-N 1 0 322.449 1.994 50 70 DDIARO C[NH2+]C[C@@H]1CCCN1C(=O)C1=Cc2ccc(OC)cc2OC1 ZINC000161339610 354242969 /nfs/dbraw/zinc/24/29/69/354242969.db2.gz XGHGIKKTRFNKPV-AWEZNQCLSA-N 1 0 302.374 1.681 50 70 DDIARO O=C(Cc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160364934 408476174 /nfs/dbraw/zinc/47/61/74/408476174.db2.gz UVJVIXJLCWNGDN-OAHLLOKOSA-N 1 0 310.825 1.846 50 70 DDIARO CN1CC[C@@H]([N@H+](C)CCC(=O)NCCCc2ccncc2)C1 ZINC000218273286 407515607 /nfs/dbraw/zinc/51/56/07/407515607.db2.gz BQVZQWYVPMFAPE-MRXNPFEDSA-N 1 0 304.438 1.156 50 70 DDIARO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000217625149 407504759 /nfs/dbraw/zinc/50/47/59/407504759.db2.gz IDBMZQVOUBJGRZ-NSHDSACASA-N 1 0 306.410 1.282 50 70 DDIARO O[C@H]1CN(Cc2ccco2)CCN(c2noc(C3CC3)n2)C1 ZINC000217757427 407508355 /nfs/dbraw/zinc/50/83/55/407508355.db2.gz OSLYDMRAEZNEAB-LBPRGKRZSA-N 1 0 304.350 1.223 50 70 DDIARO O=C(c1cccc(O)c1)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000218383624 407519880 /nfs/dbraw/zinc/51/98/80/407519880.db2.gz PGJZMFZMNVNTAA-UHFFFAOYSA-N 1 0 318.417 1.703 50 70 DDIARO C[N@@H+]1C[C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1CO ZINC000218421180 201539772 /nfs/dbraw/zinc/53/97/72/201539772.db2.gz RGGVXISVPVNCIB-MNOVXSKESA-N 1 0 317.216 1.717 50 70 DDIARO Cc1nc2cc(CNC(=O)C[C@@H]3C=CS(=O)(=O)C3)ccc2[nH]1 ZINC000217598435 407504409 /nfs/dbraw/zinc/50/44/09/407504409.db2.gz HBZURDDEXJYKGZ-LBPRGKRZSA-N 1 0 319.386 1.436 50 70 DDIARO C[C@@H]1C[N@@H+](CCC(=O)NCCc2nc(C3CC3)no2)C[C@H](C)O1 ZINC000218277533 407516906 /nfs/dbraw/zinc/51/69/06/407516906.db2.gz CVHWOWFKDVDDLE-TXEJJXNPSA-N 1 0 322.409 1.105 50 70 DDIARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc2c(c1)CCO2 ZINC000218492194 407517896 /nfs/dbraw/zinc/51/78/96/407517896.db2.gz CPCFAXVQIHJLJH-SLBVQIDZSA-N 1 0 302.374 1.069 50 70 DDIARO Cc1c[nH]c(C(=O)N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000216911542 484141907 /nfs/dbraw/zinc/14/19/07/484141907.db2.gz HWZSXWJYAXKTPW-AWEZNQCLSA-N 1 0 319.453 1.206 50 70 DDIARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc(F)cc1Cl ZINC000216915821 484142285 /nfs/dbraw/zinc/14/22/85/484142285.db2.gz SVIQDWPXTKSLON-ZDUSSCGKSA-N 1 0 313.804 1.384 50 70 DDIARO COc1ccc(CCCNC(=O)C[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000217929704 545651506 /nfs/dbraw/zinc/65/15/06/545651506.db2.gz YYYSYLMBBGGQDR-INIZCTEOSA-N 1 0 319.449 1.380 50 70 DDIARO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000217903117 257240401 /nfs/dbraw/zinc/24/04/01/257240401.db2.gz NWVZSZDLJDXBDF-XXILOJSOSA-N 1 0 302.296 1.605 50 70 DDIARO CCc1nccn1CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000217180123 484143595 /nfs/dbraw/zinc/14/35/95/484143595.db2.gz LNZTYFKENLUEDD-HNNXBMFYSA-N 1 0 304.438 1.922 50 70 DDIARO C[NH+](C)C1(CNc2c(=O)c(=O)c2N2CCSCC2)CCCC1 ZINC000218425087 407517931 /nfs/dbraw/zinc/51/79/31/407517931.db2.gz IPWUFWIWKZLUSU-UHFFFAOYSA-N 1 0 323.462 1.122 50 70 DDIARO C[C@H](C1CCN(C(=O)Cn2ccc(=O)cc2)CC1)[NH+]1CCCC1 ZINC000218104826 407513185 /nfs/dbraw/zinc/51/31/85/407513185.db2.gz NGHLVNAOOYUQJW-OAHLLOKOSA-N 1 0 317.433 1.571 50 70 DDIARO C[N@@H+]1CC[C@H]2CN(C(=O)CCC(=O)c3ccc(F)cc3)C[C@H]21 ZINC000218648065 407522567 /nfs/dbraw/zinc/52/25/67/407522567.db2.gz UVCGSWOBWQLNNF-DZGCQCFKSA-N 1 0 304.365 1.951 50 70 DDIARO CCc1nn(C)c(Cl)c1CN1CCn2nc(CO)cc2C1 ZINC000217433507 407505573 /nfs/dbraw/zinc/50/55/73/407505573.db2.gz ZDEKOEUMBWSENZ-UHFFFAOYSA-N 1 0 309.801 1.341 50 70 DDIARO Nc1nc(NCc2cn3ccccc3n2)cc(C2CC([NH3+])C2)n1 ZINC000218129416 407511753 /nfs/dbraw/zinc/51/17/53/407511753.db2.gz KRSYVZHFEOFILL-UHFFFAOYSA-N 1 0 309.377 1.523 50 70 DDIARO COc1cccc2c(O)c(C(=O)NCCC[NH+](C)C)cnc12 ZINC000218408521 407518418 /nfs/dbraw/zinc/51/84/18/407518418.db2.gz UCSNMGJPQNKVEK-UHFFFAOYSA-N 1 0 303.362 1.631 50 70 DDIARO CN(C)C(=O)OCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000159394350 354234586 /nfs/dbraw/zinc/23/45/86/354234586.db2.gz TZNLNDCZLYCZLR-GFCCVEGCSA-N 1 0 307.398 1.491 50 70 DDIARO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217848322 257240563 /nfs/dbraw/zinc/24/05/63/257240563.db2.gz SGMWQZDJGKEECU-JLLWLGSASA-N 1 0 312.822 1.716 50 70 DDIARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cc1noc2ccccc12 ZINC000218110754 407511500 /nfs/dbraw/zinc/51/15/00/407511500.db2.gz PGMVBLOFDLQOFZ-GLZXHMCRSA-N 1 0 315.373 1.204 50 70 DDIARO CCc1csc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)n1 ZINC000218172977 407512366 /nfs/dbraw/zinc/51/23/66/407512366.db2.gz KWQPSKCZKBEMFA-UHFFFAOYSA-N 1 0 304.423 1.895 50 70 DDIARO COCCN(C)CC(=O)N[C@@H](C)c1nc2cc(C)ccc2[nH]1 ZINC000217744373 407507802 /nfs/dbraw/zinc/50/78/02/407507802.db2.gz KCAKSYCTANVFKC-LBPRGKRZSA-N 1 0 304.394 1.627 50 70 DDIARO CCO[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2C[NH2+]CCO2)C12CCCC2 ZINC000160620510 408506341 /nfs/dbraw/zinc/50/63/41/408506341.db2.gz REVGYRASURNYMK-RBSFLKMASA-N 1 0 310.438 1.561 50 70 DDIARO Cc1oncc1C(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000217358163 407502406 /nfs/dbraw/zinc/50/24/06/407502406.db2.gz JLMBRYPXYOUKLR-AWEZNQCLSA-N 1 0 307.394 1.700 50 70 DDIARO CSCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000160843332 408529890 /nfs/dbraw/zinc/52/98/90/408529890.db2.gz QJOGBUHKEGBQFR-CABCVRRESA-N 1 0 308.447 1.975 50 70 DDIARO O=C(Cc1cccnc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000218176876 407512317 /nfs/dbraw/zinc/51/23/17/407512317.db2.gz RZIWENKJVJXLLR-UHFFFAOYSA-N 1 0 303.406 1.384 50 70 DDIARO Cc1nnc([C@@H]2CCCN(C(=O)Cn3cnc(C)c3C)C2)[nH]1 ZINC000218621474 407520836 /nfs/dbraw/zinc/52/08/36/407520836.db2.gz OBWOYQMPMJYPCO-CYBMUJFWSA-N 1 0 302.382 1.333 50 70 DDIARO Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CN(C)CCO2)n1 ZINC000161334362 408588881 /nfs/dbraw/zinc/58/88/81/408588881.db2.gz CGOXNUCVPHQCKI-HNNXBMFYSA-N 1 0 300.362 1.450 50 70 DDIARO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000160334239 197401693 /nfs/dbraw/zinc/40/16/93/197401693.db2.gz JYCHBMCTKQNYCB-HNNXBMFYSA-N 1 0 301.390 1.306 50 70 DDIARO [NH3+][C@@H]1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000160270231 197396366 /nfs/dbraw/zinc/39/63/66/197396366.db2.gz NJHOZGSUPLDBKQ-CYBMUJFWSA-N 1 0 318.352 1.758 50 70 DDIARO CSCC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000160840271 408528957 /nfs/dbraw/zinc/52/89/57/408528957.db2.gz QJOGBUHKEGBQFR-GJZGRUSLSA-N 1 0 308.447 1.975 50 70 DDIARO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](NC(N)=O)c1cccc(C)c1 ZINC000161341975 408588894 /nfs/dbraw/zinc/58/88/94/408588894.db2.gz VXPAEXWCHQBXSP-GJZGRUSLSA-N 1 0 318.421 1.305 50 70 DDIARO Cc1n[nH]c(C)c1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000217406352 407500553 /nfs/dbraw/zinc/50/05/53/407500553.db2.gz UJWNQYRHMMJWHW-KRWDZBQOSA-N 1 0 314.433 1.858 50 70 DDIARO O=c1ccccn1CCCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161025522 408552983 /nfs/dbraw/zinc/55/29/83/408552983.db2.gz RNTIKCGIWIDSEB-UHFFFAOYSA-N 1 0 306.406 1.904 50 70 DDIARO C[C@@H]1C[N@H+](C2CCN(C(=O)Cc3cnccn3)CC2)C[C@H](C)O1 ZINC000217091912 484144380 /nfs/dbraw/zinc/14/43/80/484144380.db2.gz QORLYSOUTHPYID-OKILXGFUSA-N 1 0 318.421 1.119 50 70 DDIARO CC(C)[N@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000218115440 407513057 /nfs/dbraw/zinc/51/30/57/407513057.db2.gz NAVBZAWBSINYRD-SJORKVTESA-N 1 0 320.433 1.817 50 70 DDIARO Cc1ccn(-c2ccccc2NC(=O)[C@H]2CN(C)CCO2)n1 ZINC000161334478 408590023 /nfs/dbraw/zinc/59/00/23/408590023.db2.gz CGOXNUCVPHQCKI-OAHLLOKOSA-N 1 0 300.362 1.450 50 70 DDIARO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+](C)C2 ZINC000217865552 407509471 /nfs/dbraw/zinc/50/94/71/407509471.db2.gz MDDLPXICZLLDBB-KBPBESRZSA-N 1 0 318.421 1.284 50 70 DDIARO O[C@H]1CN(Cc2cc(C3CC3)on2)CC[N@@H+](C2CCOCC2)C1 ZINC000217396652 407500431 /nfs/dbraw/zinc/50/04/31/407500431.db2.gz IQJBFHYEDRWADD-INIZCTEOSA-N 1 0 321.421 1.210 50 70 DDIARO CC(=O)c1cccc(C(=O)N2CCC[C@](CO)(C[NH+](C)C)C2)c1 ZINC000218167504 407512603 /nfs/dbraw/zinc/51/26/03/407512603.db2.gz LOBYIVKMDFXYCS-SFHVURJKSA-N 1 0 318.417 1.666 50 70 DDIARO CC[C@H](NC(=O)CN1CCC[N@H+](C)CC1)c1ncccc1C ZINC000218769106 407526151 /nfs/dbraw/zinc/52/61/51/407526151.db2.gz FJYMLNIGFTVKTD-HNNXBMFYSA-N 1 0 304.438 1.595 50 70 DDIARO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000217902973 257240256 /nfs/dbraw/zinc/24/02/56/257240256.db2.gz NWVZSZDLJDXBDF-AXTRIDKLSA-N 1 0 302.296 1.605 50 70 DDIARO Cc1nccn1-c1ccccc1CNC(=O)CN1CCOCC1 ZINC000218677616 407523018 /nfs/dbraw/zinc/52/30/18/407523018.db2.gz LWOLOCFYIPGWSH-UHFFFAOYSA-N 1 0 314.389 1.129 50 70 DDIARO COCc1nc(N[C@H](C)c2nnc(C)[nH]2)cc(C2CC([NH3+])C2)n1 ZINC000218238235 201535977 /nfs/dbraw/zinc/53/59/77/201535977.db2.gz ILDCNHOVOWHQIM-MFAVDMRSSA-N 1 0 317.397 1.427 50 70 DDIARO Cc1cc(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)on1 ZINC000218604703 257273902 /nfs/dbraw/zinc/27/39/02/257273902.db2.gz OPQKTSFRKHIGSF-CQSZACIVSA-N 1 0 307.394 1.285 50 70 DDIARO Cc1oncc1C(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000217358226 407501725 /nfs/dbraw/zinc/50/17/25/407501725.db2.gz JLMBRYPXYOUKLR-CQSZACIVSA-N 1 0 307.394 1.700 50 70 DDIARO Cc1ncsc1CCNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000218099179 407512278 /nfs/dbraw/zinc/51/22/78/407512278.db2.gz CLHKFXSQPAULPI-TXEJJXNPSA-N 1 0 311.451 1.610 50 70 DDIARO C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160274802 197397959 /nfs/dbraw/zinc/39/79/59/197397959.db2.gz VZRLWMPZZPNVHR-VHSXEESVSA-N 1 0 313.195 1.776 50 70 DDIARO COC(C)(C)C[C@@H](C)NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000160964895 408544441 /nfs/dbraw/zinc/54/44/41/408544441.db2.gz HEJQXVWCTLDFPU-LLVKDONJSA-N 1 0 323.441 1.444 50 70 DDIARO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(SCCO)cc1 ZINC000217880244 407509774 /nfs/dbraw/zinc/50/97/74/407509774.db2.gz WMYZXGARUGDLJY-CQSZACIVSA-N 1 0 308.447 1.985 50 70 DDIARO Cc1cc([C@H]2CCCN2C(=O)CN2CCC[N@@H+](C)CC2)no1 ZINC000218456283 407518935 /nfs/dbraw/zinc/51/89/35/407518935.db2.gz PUHRNCJLVBIUQS-OAHLLOKOSA-N 1 0 306.410 1.284 50 70 DDIARO CSc1ccc(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000217109036 484143893 /nfs/dbraw/zinc/14/38/93/484143893.db2.gz KEJYTXFKNODXFJ-AWEZNQCLSA-N 1 0 307.463 1.313 50 70 DDIARO O=c1[nH]c2cc3c(cc2cc1C[NH+]1CCSCC1)OCO3 ZINC000218493129 407519930 /nfs/dbraw/zinc/51/99/30/407519930.db2.gz GGPXWRKEAGNDCQ-UHFFFAOYSA-N 1 0 304.371 1.806 50 70 DDIARO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1[O-] ZINC000218699060 407521095 /nfs/dbraw/zinc/52/10/95/407521095.db2.gz AVSCYTWUOPFMJY-CYBMUJFWSA-N 1 0 322.380 1.905 50 70 DDIARO C[NH+](C)CCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000218374491 201537051 /nfs/dbraw/zinc/53/70/51/201537051.db2.gz SNDFINAUJNGCJD-UHFFFAOYSA-N 1 0 316.405 1.314 50 70 DDIARO OCc1cc2n(n1)CCN(c1cc(N3CCCCC3)ncn1)C2 ZINC000217452215 407504984 /nfs/dbraw/zinc/50/49/84/407504984.db2.gz PHPUCZRWBCKWJL-UHFFFAOYSA-N 1 0 314.393 1.176 50 70 DDIARO O=C(NCCc1cnccn1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000218765021 407521707 /nfs/dbraw/zinc/52/17/07/407521707.db2.gz DWXDESUVCACSHD-KRWDZBQOSA-N 1 0 310.401 1.800 50 70 DDIARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000160314743 408470793 /nfs/dbraw/zinc/47/07/93/408470793.db2.gz DDXNQADBFDFRPG-HNNXBMFYSA-N 1 0 301.390 1.372 50 70 DDIARO CC[C@@](C)(O)C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000161321646 408587215 /nfs/dbraw/zinc/58/72/15/408587215.db2.gz LGGWZSOMTMXTFD-OAHLLOKOSA-N 1 0 314.451 1.366 50 70 DDIARO CSCc1noc(CNC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)n1 ZINC000218541456 333393744 /nfs/dbraw/zinc/39/37/44/333393744.db2.gz VSIDHTQZNOXNBB-MNOVXSKESA-N 1 0 310.423 1.423 50 70 DDIARO CN(Cc1ccccc1C[NH+](C)C)C(=O)c1cnc[nH]c1=O ZINC000218286622 407515942 /nfs/dbraw/zinc/51/59/42/407515942.db2.gz OBXXCVGKKKPHKX-UHFFFAOYSA-N 1 0 300.362 1.104 50 70 DDIARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1c(F)cccc1F ZINC000218301185 284265417 /nfs/dbraw/zinc/26/54/17/284265417.db2.gz WOMUKZNRJSHYLC-CXOGBFNASA-N 1 0 322.355 1.946 50 70 DDIARO COC1CC[NH+](C2CCN(C(=O)c3snnc3C)CC2)CC1 ZINC000217752403 407507741 /nfs/dbraw/zinc/50/77/41/407507741.db2.gz RRJKFGWOADHONP-UHFFFAOYSA-N 1 0 324.450 1.562 50 70 DDIARO COCCN1C[C@H](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1=O ZINC000218195910 407515665 /nfs/dbraw/zinc/51/56/65/407515665.db2.gz VVWNSJCLYASNSQ-MRXNPFEDSA-N 1 0 317.433 1.134 50 70 DDIARO CC1=C(C(=O)N[C@H](c2nccn2C)C(C)C)SC2=NCCN12 ZINC000218629781 407522132 /nfs/dbraw/zinc/52/21/32/407522132.db2.gz LRLRHZSWEGYQRH-NSHDSACASA-N 1 0 319.434 1.883 50 70 DDIARO [NH3+][C@@H]1CCN(C(=O)CCOc2cccc(Br)c2)C1 ZINC000160228327 197394168 /nfs/dbraw/zinc/39/41/68/197394168.db2.gz SBQNWMBYRYWJNN-LLVKDONJSA-N 1 0 313.195 1.778 50 70 DDIARO CCn1nc(C)cc1C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000217992549 484146655 /nfs/dbraw/zinc/14/66/55/484146655.db2.gz PONDYKDAPYZRTR-UHFFFAOYSA-N 1 0 320.437 1.274 50 70 DDIARO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccc(C)cc1OC ZINC000161168016 354242704 /nfs/dbraw/zinc/24/27/04/354242704.db2.gz APQCSPWIPAVUMP-AWEZNQCLSA-N 1 0 306.406 1.983 50 70 DDIARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2ccc(C(C)=O)s2)C1 ZINC000218206579 407515730 /nfs/dbraw/zinc/51/57/30/407515730.db2.gz LPCKSAVVSGFSEB-ZDUSSCGKSA-N 1 0 324.446 1.991 50 70 DDIARO COCc1cc(C[N@H+](C)C[C@H](C)N2CCOCC2)ccc1OC ZINC000218459429 407518797 /nfs/dbraw/zinc/51/87/97/407518797.db2.gz URBBMXIKOQNZPC-HNNXBMFYSA-N 1 0 322.449 1.994 50 70 DDIARO [NH3+][C@@H]1CCN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000160309758 197399503 /nfs/dbraw/zinc/39/95/03/197399503.db2.gz SJVLUZNRWOXYIM-LLVKDONJSA-N 1 0 315.329 1.286 50 70 DDIARO Cc1cc([C@@H]2CCCN2C(=O)CN2CCC[N@@H+](C)CC2)no1 ZINC000218456197 407519067 /nfs/dbraw/zinc/51/90/67/407519067.db2.gz PUHRNCJLVBIUQS-HNNXBMFYSA-N 1 0 306.410 1.284 50 70 DDIARO O[C@@H]1CCOC[C@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000217850064 201526708 /nfs/dbraw/zinc/52/67/08/201526708.db2.gz HBTGTHQADVRAGV-RTBURBONSA-N 1 0 316.445 1.884 50 70 DDIARO C[N@@H+]1CCC[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000217722805 407508806 /nfs/dbraw/zinc/50/88/06/407508806.db2.gz QRZDRAFEXZJZFI-CYBMUJFWSA-N 1 0 306.410 1.728 50 70 DDIARO C[NH+]1CCC(N2CCN(c3ncccc3Cl)C[C@@H](O)C2)CC1 ZINC000216919794 484141690 /nfs/dbraw/zinc/14/16/90/484141690.db2.gz OIZVUCQCUGCKPE-AWEZNQCLSA-N 1 0 324.856 1.312 50 70 DDIARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000216931027 484142557 /nfs/dbraw/zinc/14/25/57/484142557.db2.gz SOKQAPAHEQJJFX-GFCCVEGCSA-N 1 0 320.437 1.481 50 70 DDIARO OC1CC(c2cc(N3CCC([NH+]4CCCC4)CC3)ncn2)C1 ZINC000218319893 407515722 /nfs/dbraw/zinc/51/57/22/407515722.db2.gz HEGNGSISRLZJLG-UHFFFAOYSA-N 1 0 302.422 1.780 50 70 DDIARO Cc1cc(C)n(C2CN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(C)n3)C2)n1 ZINC000218215066 407516304 /nfs/dbraw/zinc/51/63/04/407516304.db2.gz RHQNOVCRDJURMW-HDJSIYSDSA-N 1 0 312.421 1.864 50 70 DDIARO Cc1nc(N)sc1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000218475392 407518279 /nfs/dbraw/zinc/51/82/79/407518279.db2.gz DMMWSYFKZIJLGL-UHFFFAOYSA-N 1 0 312.439 1.264 50 70 DDIARO CN1CC[C@H]([N@H+](C)CCC(=O)NCCCc2ccncc2)C1 ZINC000218273318 407515803 /nfs/dbraw/zinc/51/58/03/407515803.db2.gz BQVZQWYVPMFAPE-INIZCTEOSA-N 1 0 304.438 1.156 50 70 DDIARO CC(C)[NH+]1CCC(NC(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)CC1 ZINC000218527724 407521729 /nfs/dbraw/zinc/52/17/29/407521729.db2.gz HVZXFRIBOBULIV-UHFFFAOYSA-N 1 0 320.437 1.670 50 70 DDIARO O=C(N[C@@H]1COCC[C@H]1O)C1([NH+]2CCCCC2)CCCCC1 ZINC000217533929 407504008 /nfs/dbraw/zinc/50/40/08/407504008.db2.gz LEHIFEVWRGRWGS-HUUCEWRRSA-N 1 0 310.438 1.441 50 70 DDIARO COC(C)(C)C[C@H](C)NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000160964787 408545463 /nfs/dbraw/zinc/54/54/63/408545463.db2.gz HEJQXVWCTLDFPU-NSHDSACASA-N 1 0 323.441 1.444 50 70 DDIARO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000217625070 407505034 /nfs/dbraw/zinc/50/50/34/407505034.db2.gz IDBMZQVOUBJGRZ-LLVKDONJSA-N 1 0 306.410 1.282 50 70 DDIARO Cc1cc2c(cc1C(=O)N1C[C@@H]3CC[N@@H+](C)[C@@H]3C1)OCCO2 ZINC000218675517 292001520 /nfs/dbraw/zinc/00/15/20/292001520.db2.gz YTDDBOXFPJKGQM-GXTWGEPZSA-N 1 0 302.374 1.542 50 70 DDIARO Cc1c[nH]c(C(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000216911513 484141867 /nfs/dbraw/zinc/14/18/67/484141867.db2.gz HWZSXWJYAXKTPW-CQSZACIVSA-N 1 0 319.453 1.206 50 70 DDIARO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](CCc1cccc(F)c1)C2 ZINC000217039354 407499079 /nfs/dbraw/zinc/49/90/79/407499079.db2.gz ZHBLFOYZEXJBTJ-QGZVFWFLSA-N 1 0 319.380 1.496 50 70 DDIARO O=C(c1ccccn1)N1CCC([NH2+][C@@H]2C[C@@H]3OCC[C@H]23)CC1 ZINC000217470387 201516453 /nfs/dbraw/zinc/51/64/53/201516453.db2.gz OXIAIBLFQBCLNS-BMFZPTHFSA-N 1 0 301.390 1.453 50 70 DDIARO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160260181 197395947 /nfs/dbraw/zinc/39/59/47/197395947.db2.gz XZWRKMYEWYZNFE-SNVBAGLBSA-N 1 0 314.382 1.183 50 70 DDIARO COc1ccccc1CCNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000218585513 257274255 /nfs/dbraw/zinc/27/42/55/257274255.db2.gz ZPDKBWCJYCPZJK-UHFFFAOYSA-N 1 0 313.405 1.927 50 70 DDIARO Cn1cc([C@@H](NC(=O)C[NH+]2CCCCCC2)C2CC(O)C2)cn1 ZINC000218107394 407513277 /nfs/dbraw/zinc/51/32/77/407513277.db2.gz FAOFOFMDNKINMR-PGEKIEPBSA-N 1 0 320.437 1.224 50 70 DDIARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2nc(C)c[nH]2)n1 ZINC000218549862 333393717 /nfs/dbraw/zinc/39/37/17/333393717.db2.gz RBDHDVSZYVVKLK-UHFFFAOYSA-N 1 0 316.409 1.496 50 70 DDIARO Cc1cnn(CCCNc2cc(C3CC([NH3+])C3)nc(N)n2)c1 ZINC000218308955 407515198 /nfs/dbraw/zinc/51/51/98/407515198.db2.gz HMGYIFITGAFBPJ-UHFFFAOYSA-N 1 0 301.398 1.271 50 70 DDIARO Cc1nnc([C@H]2CCC[N@H+](CC(C)(C)N3CCOCC3)C2)[nH]1 ZINC000217985588 484146735 /nfs/dbraw/zinc/14/67/35/484146735.db2.gz ZPNVAFNYXZNICB-AWEZNQCLSA-N 1 0 307.442 1.403 50 70 DDIARO Cc1cc(C(=O)N2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc(=O)[nH]1 ZINC000217543838 407504842 /nfs/dbraw/zinc/50/48/42/407504842.db2.gz ZLVXMSPYPLITLU-KRWDZBQOSA-N 1 0 303.406 1.631 50 70 DDIARO CCOC[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160065848 197383138 /nfs/dbraw/zinc/38/31/38/197383138.db2.gz VKABRXOBNFDQBJ-WMLDXEAASA-N 1 0 302.418 1.976 50 70 DDIARO CC(=O)c1cccc(C(=O)N2CCC[C@@](CO)(C[NH+](C)C)C2)c1 ZINC000218167468 407512862 /nfs/dbraw/zinc/51/28/62/407512862.db2.gz LOBYIVKMDFXYCS-GOSISDBHSA-N 1 0 318.417 1.666 50 70 DDIARO Cc1nnc([C@@H]2CCC[N@H+](CC(C)(C)N3CCOCC3)C2)[nH]1 ZINC000217985500 484146786 /nfs/dbraw/zinc/14/67/86/484146786.db2.gz ZPNVAFNYXZNICB-CQSZACIVSA-N 1 0 307.442 1.403 50 70 DDIARO C[N@@H+]1CCC[C@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000217722899 407508417 /nfs/dbraw/zinc/50/84/17/407508417.db2.gz QRZDRAFEXZJZFI-ZDUSSCGKSA-N 1 0 306.410 1.728 50 70 DDIARO O=C(NC[C@]1(O)CCC[NH2+]C1)c1ccc2ccccc2c1O ZINC000216936959 484142757 /nfs/dbraw/zinc/14/27/57/484142757.db2.gz VWRWJCYTOPSDBJ-KRWDZBQOSA-N 1 0 300.358 1.390 50 70 DDIARO Cc1nc([C@@H](NC(=O)[C@H]2CCC[NH2+]C2)c2ccccc2F)no1 ZINC000160139585 197388766 /nfs/dbraw/zinc/38/87/66/197388766.db2.gz LAZQDMNHTDNFIJ-FZMZJTMJSA-N 1 0 318.352 1.722 50 70 DDIARO OC[C@H](O)c1cc2n(n1)CCC[N@H+](CCc1cccc(F)c1)C2 ZINC000217039392 407498854 /nfs/dbraw/zinc/49/88/54/407498854.db2.gz ZHBLFOYZEXJBTJ-KRWDZBQOSA-N 1 0 319.380 1.496 50 70 DDIARO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000216931051 484142115 /nfs/dbraw/zinc/14/21/15/484142115.db2.gz SOKQAPAHEQJJFX-LBPRGKRZSA-N 1 0 320.437 1.481 50 70 DDIARO O=C(Cc1cccnc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1 ZINC000218185021 407512680 /nfs/dbraw/zinc/51/26/80/407512680.db2.gz VTWBSWONPLQPKA-BZZMCLGOSA-N 1 0 315.417 1.382 50 70 DDIARO C/C=C(\C)C[N@@H+]1CCN(c2ncnc3[nH]ccc32)C[C@@H](O)C1 ZINC000217122952 484144733 /nfs/dbraw/zinc/14/47/33/484144733.db2.gz MHAZMHCRNOJTOF-QQFGACLNSA-N 1 0 301.394 1.407 50 70 DDIARO COc1cccc2c(O)c(C(=O)NCCc3c[nH]cn3)cnc12 ZINC000217619689 407505322 /nfs/dbraw/zinc/50/53/22/407505322.db2.gz WKMCLBYJYPENCE-UHFFFAOYSA-N 1 0 312.329 1.645 50 70 DDIARO