smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000041720756 344973398 /nfs/dbraw/zinc/97/33/98/344973398.db2.gz GPLCQBIQPIYEGI-ZDUSSCGKSA-N 2 0 267.376 3.131 50 0 CGAARP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[NH+](C)C ZINC000002406685 368454760 /nfs/dbraw/zinc/45/47/60/368454760.db2.gz ABYBKVTTZUTOKN-QGZVFWFLSA-N 2 0 285.435 3.395 50 0 CGAARP C[NH+](C)CCCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000004009000 368526293 /nfs/dbraw/zinc/52/62/93/368526293.db2.gz QBYRWBBTOQMSDN-UHFFFAOYSA-N 2 0 269.392 3.087 50 0 CGAARP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000066354492 369692524 /nfs/dbraw/zinc/69/25/24/369692524.db2.gz LGSNQVMIVAHETM-ZWKOTPCHSA-N 2 0 266.388 3.003 50 0 CGAARP Oc1cccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000080373649 369986494 /nfs/dbraw/zinc/98/64/94/369986494.db2.gz GMRPAVNKCZVUKW-UHFFFAOYSA-N 2 0 288.435 3.279 50 0 CGAARP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095421883 370188511 /nfs/dbraw/zinc/18/85/11/370188511.db2.gz ZSOLXIZWHVTPMV-ZDUSSCGKSA-N 2 0 264.388 3.208 50 0 CGAARP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174396547 373305467 /nfs/dbraw/zinc/30/54/67/373305467.db2.gz NMLDYRJVIMHGHG-IBGZPJMESA-N 2 0 295.430 3.036 50 0 CGAARP COc1cccc(C[N@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C2CC2)c1 ZINC000247871467 377242660 /nfs/dbraw/zinc/24/26/60/377242660.db2.gz DMCXOZZPVMMTMT-FZNQNYSPSA-N 2 0 288.435 3.177 50 0 CGAARP CSCC[C@H](C)[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000065396015 278132017 /nfs/dbraw/zinc/13/20/17/278132017.db2.gz GPYLUUKPHGSCIQ-AWEZNQCLSA-N 2 0 284.513 3.372 50 0 CGAARP Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080958806 345691822 /nfs/dbraw/zinc/69/18/22/345691822.db2.gz XOBYDWIVLAOFQX-OAHLLOKOSA-N 2 0 255.365 3.098 50 0 CGAARP C/C(=C\c1ccccc1F)C[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000095698922 345899892 /nfs/dbraw/zinc/89/98/92/345899892.db2.gz FPOIECCDFNHLND-GRNBYLDVSA-N 2 0 276.399 3.303 50 0 CGAARP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCF ZINC000170605245 188675247 /nfs/dbraw/zinc/67/52/47/188675247.db2.gz AXQQFKGITZRPCL-HUUCEWRRSA-N 2 0 278.415 3.092 50 0 CGAARP Clc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000010434728 368582575 /nfs/dbraw/zinc/58/25/75/368582575.db2.gz WQEKNMHUZGGWLV-UHFFFAOYSA-N 2 0 273.207 3.083 50 0 CGAARP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c2ccccc12 ZINC000097229205 370235351 /nfs/dbraw/zinc/23/53/51/370235351.db2.gz YLUQFQCACIJUHN-ZFWWWQNUSA-N 2 0 284.403 3.160 50 0 CGAARP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000253370876 377687427 /nfs/dbraw/zinc/68/74/27/377687427.db2.gz XLQWRAZBFROFPJ-RVKKMQEKSA-N 2 0 289.467 3.197 50 0 CGAARP Cc1cc(N2CCC([C@H](C)[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000095358527 392243077 /nfs/dbraw/zinc/24/30/77/392243077.db2.gz VHBNOPDWSGYTNW-HNNXBMFYSA-N 2 0 273.424 3.091 50 0 CGAARP C[N@@H+]1CC[C@](C)(C[NH2+]Cc2ccc(-c3ccco3)cc2)C1 ZINC000952976848 616453151 /nfs/dbraw/zinc/45/31/51/616453151.db2.gz MPUURAQZGVBAAA-GOSISDBHSA-N 2 0 284.403 3.378 50 0 CGAARP Cn1ccc2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+](C)C)cc21 ZINC000072430245 618672197 /nfs/dbraw/zinc/67/21/97/618672197.db2.gz VSPDGPDWDYCYOB-SFHVURJKSA-N 2 0 299.462 3.485 50 0 CGAARP CCc1[nH+]c2c(c(C)c(C)n2CCC[NH+](C)C)c(N)c1C ZINC000012409701 368611698 /nfs/dbraw/zinc/61/16/98/368611698.db2.gz DGNOLVBVJLCIGA-UHFFFAOYSA-N 2 0 288.439 3.058 50 0 CGAARP Cc1ccsc1C[N@H+](C)CCC1CC[NH+](C)CC1 ZINC000019147790 368743704 /nfs/dbraw/zinc/74/37/04/368743704.db2.gz MRHNYLYSIAUHIG-UHFFFAOYSA-N 2 0 266.454 3.220 50 0 CGAARP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067741485 369727584 /nfs/dbraw/zinc/72/75/84/369727584.db2.gz DMGPXZCXKVKODZ-QIPRVMPFSA-N 2 0 270.420 3.165 50 0 CGAARP c1cc2c(c(-c3ccc(C[NH2+]C4CC4)cc3)c1)CC[NH2+]C2 ZINC000071575826 369808162 /nfs/dbraw/zinc/80/81/62/369808162.db2.gz QLGCMLBURPJAIX-UHFFFAOYSA-N 2 0 278.399 3.251 50 0 CGAARP CCC[NH+]1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000020122476 171002626 /nfs/dbraw/zinc/00/26/26/171002626.db2.gz YQMHMRQXLAGPSP-UHFFFAOYSA-N 2 0 285.435 3.174 50 0 CGAARP C[C@H](C1CC[NH+](C[C@H]2CC23CCC3)CC1)[NH+]1CCCC1 ZINC000032587292 279243312 /nfs/dbraw/zinc/24/33/12/279243312.db2.gz AYQMOFYUFAWQFU-NVXWUHKLSA-N 2 0 276.468 3.373 50 0 CGAARP C[C@H](c1ccc(-c2ccnc(N)c2)cc1)[NH+]1CCCC1 ZINC000216460616 570305604 /nfs/dbraw/zinc/30/56/04/570305604.db2.gz ODJWYOMDVPBVAV-CYBMUJFWSA-N 2 0 267.376 3.488 50 0 CGAARP C[C@H](CCc1c[nH]c2ccccc12)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426739118 372171081 /nfs/dbraw/zinc/17/10/81/372171081.db2.gz WCIFBVNRBHWVFY-JNNRSPCRSA-N 2 0 297.446 3.158 50 0 CGAARP CSCC[N@H+](C)Cc1cccc([C@H](C)[NH+](C)C)c1 ZINC000215734020 376149684 /nfs/dbraw/zinc/14/96/84/376149684.db2.gz ATGDWWQVAGOCFV-ZDUSSCGKSA-N 2 0 266.454 3.104 50 0 CGAARP C[C@@H]1CCC[C@@H]([N@H+](CCC[NH3+])Cc2ccco2)[C@H]1C ZINC000242750558 376783264 /nfs/dbraw/zinc/78/32/64/376783264.db2.gz ZSXDGBYADISEHJ-IJEWVQPXSA-N 2 0 264.413 3.255 50 0 CGAARP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000097162662 392260148 /nfs/dbraw/zinc/26/01/48/392260148.db2.gz GUYBGSUMBRUEQS-HOCLYGCPSA-N 2 0 276.424 3.177 50 0 CGAARP CC[N@@H+](Cc1cc(C[NH+](C)C)cs1)C[C@@H]1CCCCO1 ZINC000215040370 262338715 /nfs/dbraw/zinc/33/87/15/262338715.db2.gz VOYKAMUZMJEBFQ-HNNXBMFYSA-N 2 0 296.480 3.201 50 0 CGAARP C[C@H](C1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1)[NH+]1CCCC1 ZINC000032541255 279243148 /nfs/dbraw/zinc/24/31/48/279243148.db2.gz ULCJTPCGKIPWRJ-FPAYPSAMSA-N 2 0 288.479 3.395 50 0 CGAARP c1cc(C[NH+]2CCCCC2)cc(C2CC[NH2+]CC2)c1 ZINC000108259804 328756153 /nfs/dbraw/zinc/75/61/53/328756153.db2.gz HPJMPAKUOPHVMC-UHFFFAOYSA-N 2 0 258.409 3.140 50 0 CGAARP C[N@@H+]1CC[C@@](C)(C[NH2+]Cc2ccc(-c3ccco3)cc2)C1 ZINC000952976851 616346936 /nfs/dbraw/zinc/34/69/36/616346936.db2.gz MPUURAQZGVBAAA-SFHVURJKSA-N 2 0 284.403 3.378 50 0 CGAARP C1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000000243829 368324348 /nfs/dbraw/zinc/32/43/48/368324348.db2.gz HKJAIQPCGIVDTK-UHFFFAOYSA-N 2 0 250.430 3.269 50 0 CGAARP CC1(C)CC([NH2+]Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000000798141 368394917 /nfs/dbraw/zinc/39/49/17/368394917.db2.gz YWFUMQOAYMXYOI-UHFFFAOYSA-N 2 0 264.388 3.225 50 0 CGAARP Clc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1Cl ZINC000010434727 368582450 /nfs/dbraw/zinc/58/24/50/368582450.db2.gz YILRVDSNZUYDGP-UHFFFAOYSA-N 2 0 273.207 3.083 50 0 CGAARP c1ccc(OCCC[NH+]2CCCCC2)c(C[NH+]2CCC2)c1 ZINC000215619888 376150811 /nfs/dbraw/zinc/15/08/11/376150811.db2.gz IEBADQMBYQBHAY-UHFFFAOYSA-N 2 0 288.435 3.147 50 0 CGAARP C[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])Cc2ccco2)C[C@@H]1C ZINC000004820466 170023270 /nfs/dbraw/zinc/02/32/70/170023270.db2.gz UDTRLIVLFCHUOX-QLFBSQMISA-N 2 0 264.413 3.255 50 0 CGAARP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512007 175188369 /nfs/dbraw/zinc/18/83/69/175188369.db2.gz FTILLWKEUJCVSG-NSHDSACASA-N 2 0 252.789 3.072 50 0 CGAARP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000095967692 185047029 /nfs/dbraw/zinc/04/70/29/185047029.db2.gz WKIBZBBNHMYMFO-CQSZACIVSA-N 2 0 278.415 3.078 50 0 CGAARP C[C@@H]1CCC[C@@H]([N@H+](CCC[NH3+])Cc2ccco2)[C@@H]1C ZINC000032919840 368952446 /nfs/dbraw/zinc/95/24/46/368952446.db2.gz ZSXDGBYADISEHJ-IIAWOOMASA-N 2 0 264.413 3.255 50 0 CGAARP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000066354693 369692277 /nfs/dbraw/zinc/69/22/77/369692277.db2.gz LGSNQVMIVAHETM-QZTJIDSGSA-N 2 0 266.388 3.003 50 0 CGAARP c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc1 ZINC000069451244 369760750 /nfs/dbraw/zinc/76/07/50/369760750.db2.gz AHVOKPWFVULRFX-UHFFFAOYSA-N 2 0 287.451 3.170 50 0 CGAARP Clc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000071762175 369809349 /nfs/dbraw/zinc/80/93/49/369809349.db2.gz ZFSMTOLZEIAVKI-OAHLLOKOSA-N 2 0 278.827 3.162 50 0 CGAARP Cc1cc(NCCC[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000096318754 370210746 /nfs/dbraw/zinc/21/07/46/370210746.db2.gz CDBOSGPMYBRKQF-UHFFFAOYSA-N 2 0 261.344 3.046 50 0 CGAARP CCCCCC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000077276251 541912230 /nfs/dbraw/zinc/91/22/30/541912230.db2.gz UFFXHGPWUAUVBU-UHFFFAOYSA-N 2 0 282.472 3.142 50 0 CGAARP CCO[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCC2 ZINC000087709117 392226308 /nfs/dbraw/zinc/22/63/08/392226308.db2.gz NTEVJOKUJWERAP-HUUCEWRRSA-N 2 0 294.483 3.233 50 0 CGAARP C[NH+](C)CCC[NH2+]CCCc1ccc(C(C)(C)C)cc1 ZINC000002284023 326796494 /nfs/dbraw/zinc/79/64/94/326796494.db2.gz KEBMKDQKHGAODP-UHFFFAOYSA-N 2 0 276.468 3.458 50 0 CGAARP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCCSC1 ZINC000783530914 628722727 /nfs/dbraw/zinc/72/27/27/628722727.db2.gz DFQXMQRRYPKUEP-KRWDZBQOSA-N 2 0 290.476 3.268 50 0 CGAARP Fc1c(Cl)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000135403607 637129671 /nfs/dbraw/zinc/12/96/71/637129671.db2.gz POUWNIFZNIBUJU-HNNXBMFYSA-N 2 0 296.817 3.443 50 0 CGAARP CCc1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000065461920 369677963 /nfs/dbraw/zinc/67/79/63/369677963.db2.gz ZPHVVZNZZDWLPT-HNNXBMFYSA-N 2 0 260.425 3.023 50 0 CGAARP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c2ccccc12 ZINC000097229200 370235790 /nfs/dbraw/zinc/23/57/90/370235790.db2.gz YLUQFQCACIJUHN-UKRRQHHQSA-N 2 0 284.403 3.160 50 0 CGAARP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000097499423 370245968 /nfs/dbraw/zinc/24/59/68/370245968.db2.gz UMVRHOOKPPEDCD-QGZVFWFLSA-N 2 0 295.430 3.235 50 0 CGAARP Cc1cnccc1CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000277060903 379056045 /nfs/dbraw/zinc/05/60/45/379056045.db2.gz DHLAFZIBDADHFN-LSDHHAIUSA-N 2 0 264.438 3.052 50 0 CGAARP CCO[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCC2 ZINC000087709116 392225911 /nfs/dbraw/zinc/22/59/11/392225911.db2.gz NTEVJOKUJWERAP-GJZGRUSLSA-N 2 0 294.483 3.233 50 0 CGAARP CC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000004745617 170010464 /nfs/dbraw/zinc/01/04/64/170010464.db2.gz QZHXTSOPVCKKKL-HNNXBMFYSA-N 2 0 260.425 3.381 50 0 CGAARP C[N@@H+]1CC[C@](C)(C[NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000952983718 616452859 /nfs/dbraw/zinc/45/28/59/616452859.db2.gz QKSHVURROZPGAP-LJQANCHMSA-N 2 0 295.430 3.180 50 0 CGAARP CCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000000279518 368331556 /nfs/dbraw/zinc/33/15/56/368331556.db2.gz LVTPGQLLYCAFDE-OAHLLOKOSA-N 2 0 260.425 3.254 50 0 CGAARP CC1(C)CC([NH2+]Cc2cccs2)CC(C)(C)[NH2+]1 ZINC000000798140 368394615 /nfs/dbraw/zinc/39/46/15/368394615.db2.gz VTLQBMKVKBMVND-UHFFFAOYSA-N 2 0 252.427 3.147 50 0 CGAARP C[NH2+][C@@H](CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000004253635 368539099 /nfs/dbraw/zinc/53/90/99/368539099.db2.gz HTBYEDLGYDDTFB-AWEZNQCLSA-N 2 0 252.789 3.086 50 0 CGAARP Cc1cnccc1CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000277060898 379055866 /nfs/dbraw/zinc/05/58/66/379055866.db2.gz DHLAFZIBDADHFN-GJZGRUSLSA-N 2 0 264.438 3.052 50 0 CGAARP Cc1cc(N2CCC(C[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000096180256 392245208 /nfs/dbraw/zinc/24/52/08/392245208.db2.gz SCQDETWIDNFZBJ-UHFFFAOYSA-N 2 0 273.424 3.092 50 0 CGAARP CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004985912 170049555 /nfs/dbraw/zinc/04/95/55/170049555.db2.gz CFPADYZSIAQUEJ-UHFFFAOYSA-N 2 0 286.341 3.279 50 0 CGAARP COc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000007783399 170302700 /nfs/dbraw/zinc/30/27/00/170302700.db2.gz XURSJKHXPBRMMZ-UHFFFAOYSA-N 2 0 284.403 3.047 50 0 CGAARP CC1(C)CC([NH2+]C[C@@H]2CC=CCC2)CC(C)(C)[NH2+]1 ZINC000020143447 171028961 /nfs/dbraw/zinc/02/89/61/171028961.db2.gz HSMOIQFGPQDYBI-CYBMUJFWSA-N 2 0 250.430 3.242 50 0 CGAARP Clc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197639 623307086 /nfs/dbraw/zinc/30/70/86/623307086.db2.gz AYOJPFACHRIQPT-INIZCTEOSA-N 2 0 278.827 3.304 50 0 CGAARP C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC001529181983 938071556 /nfs/dbraw/zinc/07/15/56/938071556.db2.gz SHFKTLLZFXSLKV-DOMZBBRYSA-N 2 0 289.398 3.256 50 0 CGAARP CS[C@@H](C)CC[N@@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000106975660 186154744 /nfs/dbraw/zinc/15/47/44/186154744.db2.gz ABNHGDZPHWRDBP-HNNXBMFYSA-N 2 0 293.480 3.044 50 0 CGAARP Cc1csc(CN(C)Cc2cc(C[NH+](C)C)cs2)n1 ZINC000097654228 370250049 /nfs/dbraw/zinc/25/00/49/370250049.db2.gz ORIDSKAMKRMUJT-UHFFFAOYSA-N 2 0 295.477 3.207 50 0 CGAARP C[C@@H](C1CC[NH+](C[C@H]2CC23CCC3)CC1)[NH+]1CCCC1 ZINC000032587291 391970180 /nfs/dbraw/zinc/97/01/80/391970180.db2.gz AYQMOFYUFAWQFU-DOTOQJQBSA-N 2 0 276.468 3.373 50 0 CGAARP CC[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000670460387 543156501 /nfs/dbraw/zinc/15/65/01/543156501.db2.gz XIGLMULSBNBOSR-INIZCTEOSA-N 2 0 290.451 3.249 50 0 CGAARP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068593361 277073767 /nfs/dbraw/zinc/07/37/67/277073767.db2.gz CDEKEQYZEKYEAI-YPMHNXCESA-N 2 0 272.314 3.047 50 0 CGAARP [NH3+]CCCCCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000002025430 303375141 /nfs/dbraw/zinc/37/51/41/303375141.db2.gz UITVGSORIKSVQU-UHFFFAOYSA-N 2 0 250.430 3.064 50 0 CGAARP Clc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197634 623307397 /nfs/dbraw/zinc/30/73/97/623307397.db2.gz HLRLYQQCAJUEPQ-MRXNPFEDSA-N 2 0 278.827 3.304 50 0 CGAARP CC(C)Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)s1 ZINC000821459865 800457001 /nfs/dbraw/zinc/45/70/01/800457001.db2.gz MMPKNPXBQWJQKZ-WNKDZCFJSA-N 2 0 290.476 3.129 50 0 CGAARP CC(C)OC1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000195557905 346273793 /nfs/dbraw/zinc/27/37/93/346273793.db2.gz KJBHCAPSYLSEAO-UHFFFAOYSA-N 2 0 282.472 3.185 50 0 CGAARP C[C@H](C1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCC1 ZINC000072420373 369818956 /nfs/dbraw/zinc/81/89/56/369818956.db2.gz GZEOPMBYSAQXAT-CQSZACIVSA-N 2 0 278.465 3.444 50 0 CGAARP CC(C)[NH2+]C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000097109241 370226361 /nfs/dbraw/zinc/22/63/61/370226361.db2.gz BFYDLQRUTLXXPG-INIZCTEOSA-N 2 0 274.452 3.328 50 0 CGAARP CSCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000065396016 392145875 /nfs/dbraw/zinc/14/58/75/392145875.db2.gz GPYLUUKPHGSCIQ-CQSZACIVSA-N 2 0 284.513 3.372 50 0 CGAARP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000070074741 175870260 /nfs/dbraw/zinc/87/02/60/175870260.db2.gz GMUJXPCPLFGMDM-CHWSQXEVSA-N 2 0 274.433 3.461 50 0 CGAARP CC[N@@H+]1CC[C@@H](C[NH+](C)CCSc2ccccc2)C1 ZINC001529110458 938070957 /nfs/dbraw/zinc/07/09/57/938070957.db2.gz NVCFGPMTCIGCSC-HNNXBMFYSA-N 2 0 278.465 3.052 50 0 CGAARP C[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000122052433 187012470 /nfs/dbraw/zinc/01/24/70/187012470.db2.gz MHGJGDFHKDUVLK-TZUVLKIQSA-N 2 0 290.426 3.362 50 0 CGAARP c1cc(OC2CC[NH2+]CC2)ccc1C[NH+]1CCCCCC1 ZINC000299791732 200877074 /nfs/dbraw/zinc/87/70/74/200877074.db2.gz FPQLHRWHMWNLIK-UHFFFAOYSA-N 2 0 288.435 3.193 50 0 CGAARP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194883489 376055669 /nfs/dbraw/zinc/05/56/69/376055669.db2.gz ATRGHZLYHPNBGO-AWEZNQCLSA-N 2 0 276.424 3.165 50 0 CGAARP C[C@H](c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198202 175685618 /nfs/dbraw/zinc/68/56/18/175685618.db2.gz MTFKEKLLUDEMPN-RHSMWYFYSA-N 2 0 258.409 3.212 50 0 CGAARP CC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000071924518 176301635 /nfs/dbraw/zinc/30/16/35/176301635.db2.gz KNUXPLXFANDYFD-FYWRMAATSA-N 2 0 258.409 3.164 50 0 CGAARP CC[NH2+]CC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000131482151 528290381 /nfs/dbraw/zinc/29/03/81/528290381.db2.gz XDZRXQSAHQEOGV-CYBMUJFWSA-N 2 0 264.388 3.208 50 0 CGAARP Cc1c[nH+]c(C)n1C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000409420911 932025266 /nfs/dbraw/zinc/02/52/66/932025266.db2.gz CALHEKKOZIKFOL-MRXNPFEDSA-N 2 0 287.382 3.161 50 0 CGAARP CCC(CC)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000096006942 185062661 /nfs/dbraw/zinc/06/26/61/185062661.db2.gz JHXWGXHZYNBMLP-MSOLQXFVSA-N 2 0 296.499 3.433 50 0 CGAARP CCC(CC)[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000096006943 185062930 /nfs/dbraw/zinc/06/29/30/185062930.db2.gz JHXWGXHZYNBMLP-QZTJIDSGSA-N 2 0 296.499 3.433 50 0 CGAARP C[NH2+][C@H](CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000002580966 368468250 /nfs/dbraw/zinc/46/82/50/368468250.db2.gz HTBYEDLGYDDTFB-CQSZACIVSA-N 2 0 252.789 3.086 50 0 CGAARP C[NH2+][C@H](CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000002580965 368468348 /nfs/dbraw/zinc/46/83/48/368468348.db2.gz SXIGBNTVTDFFML-CQSZACIVSA-N 2 0 252.789 3.086 50 0 CGAARP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000005275423 368561225 /nfs/dbraw/zinc/56/12/25/368561225.db2.gz HRLJEQMOQMTHFP-IIDMSEBBSA-N 2 0 290.451 3.292 50 0 CGAARP c1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2)cc1 ZINC000010434706 368582050 /nfs/dbraw/zinc/58/20/50/368582050.db2.gz YEDBCQAOMCERAC-UHFFFAOYSA-N 2 0 280.415 3.443 50 0 CGAARP Fc1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1 ZINC000010434737 368582151 /nfs/dbraw/zinc/58/21/51/368582151.db2.gz KZAXETMAEXMAFM-UHFFFAOYSA-N 2 0 288.366 3.175 50 0 CGAARP c1cc(C[NH2+]C2CCSCC2)cc(C[NH+]2CCCC2)c1 ZINC000065435690 369676146 /nfs/dbraw/zinc/67/61/46/369676146.db2.gz OFEMJYWPWZEOKZ-UHFFFAOYSA-N 2 0 290.476 3.268 50 0 CGAARP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000070074743 369778966 /nfs/dbraw/zinc/77/89/66/369778966.db2.gz GMUJXPCPLFGMDM-OLZOCXBDSA-N 2 0 274.433 3.461 50 0 CGAARP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000253370875 377686694 /nfs/dbraw/zinc/68/66/94/377686694.db2.gz XLQWRAZBFROFPJ-IIDMSEBBSA-N 2 0 289.467 3.197 50 0 CGAARP Cc1ccc2[nH]c3c(c2c1)C[C@H]([N@H+]1C[C@H](C[NH3+])C[C@H]1C)CC3 ZINC000108480989 397653143 /nfs/dbraw/zinc/65/31/43/397653143.db2.gz PTLMZEYXCKHWKI-QLFBSQMISA-N 2 0 297.446 3.003 50 0 CGAARP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCC2(C)C)C[C@H](C)O1 ZINC000221893613 288161366 /nfs/dbraw/zinc/16/13/66/288161366.db2.gz XALMIQUSRCSBKI-XHSDSOJGSA-N 2 0 282.472 3.044 50 0 CGAARP CC1(C[NH2+]CCCC[NH+]2CCCCCC2)CCOCC1 ZINC000952863320 800684536 /nfs/dbraw/zinc/68/45/36/800684536.db2.gz DRJPOSQOGKLUBJ-UHFFFAOYSA-N 2 0 282.472 3.049 50 0 CGAARP CC(C)Cc1ncc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000090668531 180020019 /nfs/dbraw/zinc/02/00/19/180020019.db2.gz GFLRVJXFIJUNFW-CYBMUJFWSA-N 2 0 295.496 3.162 50 0 CGAARP [NH3+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000027709880 368875124 /nfs/dbraw/zinc/87/51/24/368875124.db2.gz KXBUDXGDASOGBX-UHFFFAOYSA-N 2 0 254.377 3.038 50 0 CGAARP C[N@@H+](Cc1ccc2ncccc2c1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244764084 376795603 /nfs/dbraw/zinc/79/56/03/376795603.db2.gz PBEFWYWZRBUWSX-KDYLLFBJSA-N 2 0 283.419 3.184 50 0 CGAARP Cc1cc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000096161520 392245404 /nfs/dbraw/zinc/24/54/04/392245404.db2.gz JBBWIJFLXRSYES-INIZCTEOSA-N 2 0 273.424 3.092 50 0 CGAARP c1coc([C@H](CC[NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000065406701 175731551 /nfs/dbraw/zinc/73/15/51/175731551.db2.gz UJHJMEYZFDJRIE-QGZVFWFLSA-N 2 0 284.403 3.143 50 0 CGAARP COCC[NH+]1CCC(Nc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000185541766 619062477 /nfs/dbraw/zinc/06/24/77/619062477.db2.gz AIVMHKBFSTZQOP-UHFFFAOYSA-N 2 0 299.418 3.066 50 0 CGAARP COC[C@H](C)C1CC[NH+](CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000824332727 800470214 /nfs/dbraw/zinc/47/02/14/800470214.db2.gz PJNCEJULZVHDPY-INIZCTEOSA-N 2 0 296.499 3.103 50 0 CGAARP Cc1cccc(N2CC[NH+](CCCCCCC[NH3+])CC2)c1 ZINC000020073050 368798120 /nfs/dbraw/zinc/79/81/20/368798120.db2.gz GGOXWWKBCNPOTE-UHFFFAOYSA-N 2 0 289.467 3.026 50 0 CGAARP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067741487 369726967 /nfs/dbraw/zinc/72/69/67/369726967.db2.gz DMGPXZCXKVKODZ-FXFXYLOPSA-N 2 0 270.420 3.165 50 0 CGAARP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000095420215 370187988 /nfs/dbraw/zinc/18/79/88/370187988.db2.gz LFBQTRYLMBTDFV-HUUCEWRRSA-N 2 0 250.430 3.195 50 0 CGAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C2CCC2)C1 ZINC000245616210 376870044 /nfs/dbraw/zinc/87/00/44/376870044.db2.gz MRFJFBMVMXMZCK-HUUCEWRRSA-N 2 0 250.430 3.125 50 0 CGAARP CC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000004745616 170010149 /nfs/dbraw/zinc/01/01/49/170010149.db2.gz QZHXTSOPVCKKKL-OAHLLOKOSA-N 2 0 260.425 3.381 50 0 CGAARP COc1ccc(C[NH2+]Cc2ccccc2C[NH+](C)C)cc1 ZINC000007783419 170302750 /nfs/dbraw/zinc/30/27/50/170302750.db2.gz SRDYZHQMLJILLR-UHFFFAOYSA-N 2 0 284.403 3.047 50 0 CGAARP C[NH+](C)CCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000071771242 176262424 /nfs/dbraw/zinc/26/24/24/176262424.db2.gz ZWAQZDYKPIHAOK-UHFFFAOYSA-N 2 0 260.425 3.387 50 0 CGAARP CC1(C)CC(N2Cc3ccccc3C2=[NH2+])CC(C)(C)[NH2+]1 ZINC000005321457 273578673 /nfs/dbraw/zinc/57/86/73/273578673.db2.gz UALPXKFLQFUJQJ-UHFFFAOYSA-N 2 0 271.408 3.137 50 0 CGAARP C[C@@H]([NH2+]C1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195557286 346273678 /nfs/dbraw/zinc/27/36/78/346273678.db2.gz NSDLRXFGHMZGKH-KGLIPLIRSA-N 2 0 282.497 3.125 50 0 CGAARP C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195557285 346273979 /nfs/dbraw/zinc/27/39/79/346273979.db2.gz NSDLRXFGHMZGKH-UONOGXRCSA-N 2 0 282.497 3.125 50 0 CGAARP C[NH+](C)/C=C/c1ccnc(-c2cc(/C=C\[NH+](C)C)ccn2)c1 ZINC000033363381 368963861 /nfs/dbraw/zinc/96/38/61/368963861.db2.gz PMOOYDXWOVKBRY-NTLHZVPKSA-N 2 0 294.402 3.208 50 0 CGAARP C[C@@H](c1ccc(-c2cc(N)cc[nH+]2)cc1)[NH+]1CCCC1 ZINC000065405448 369674494 /nfs/dbraw/zinc/67/44/94/369674494.db2.gz USDQICAYHREHRZ-ZDUSSCGKSA-N 2 0 267.376 3.488 50 0 CGAARP [NH3+]C[C@@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000065525639 369681356 /nfs/dbraw/zinc/68/13/56/369681356.db2.gz GQHSQXSBVIDEBG-INIZCTEOSA-N 2 0 280.415 3.099 50 0 CGAARP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000070074742 369779329 /nfs/dbraw/zinc/77/93/29/369779329.db2.gz GMUJXPCPLFGMDM-STQMWFEESA-N 2 0 274.433 3.461 50 0 CGAARP Fc1cccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1F ZINC000080959022 369992301 /nfs/dbraw/zinc/99/23/01/369992301.db2.gz FPHKTZPBGCNIBV-GFCCVEGCSA-N 2 0 277.318 3.068 50 0 CGAARP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2n1 ZINC000187640496 375062780 /nfs/dbraw/zinc/06/27/80/375062780.db2.gz GPOZZHBTIXEKMW-INIZCTEOSA-N 2 0 295.430 3.117 50 0 CGAARP Cc1cc(F)ccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000214965936 376144333 /nfs/dbraw/zinc/14/43/33/376144333.db2.gz AKRVGJYSEXYDJT-UHFFFAOYSA-N 2 0 276.399 3.052 50 0 CGAARP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CCSCC1 ZINC000216057508 376157171 /nfs/dbraw/zinc/15/71/71/376157171.db2.gz RAUDAZZYTNBURY-UHFFFAOYSA-N 2 0 287.432 3.200 50 0 CGAARP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000078552923 177353590 /nfs/dbraw/zinc/35/35/90/177353590.db2.gz JENOLXCHPYDSLV-UHFFFAOYSA-N 2 0 258.365 3.021 50 0 CGAARP C[NH+](C)CC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000823693100 800468610 /nfs/dbraw/zinc/46/86/10/800468610.db2.gz WOZWJKOPSPDJGW-MRXNPFEDSA-N 2 0 250.430 3.151 50 0 CGAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc2ccccc2[nH]1 ZINC000090577289 345790500 /nfs/dbraw/zinc/79/05/00/345790500.db2.gz WNPKZWMDHQEOKA-LBTNJELSSA-N 2 0 285.435 3.029 50 0 CGAARP CSC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000126374174 346023743 /nfs/dbraw/zinc/02/37/43/346023743.db2.gz UZGMMEJWJSNJLQ-INIZCTEOSA-N 2 0 278.465 3.022 50 0 CGAARP c1ccc(C[NH+]2CC3C[NH+](Cc4ccccc4)CC3C2)cc1 ZINC000090751638 180036254 /nfs/dbraw/zinc/03/62/54/180036254.db2.gz AIWRNULNYFSFHK-UHFFFAOYSA-N 2 0 292.426 3.250 50 0 CGAARP c1ccc(CC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000089832404 370047680 /nfs/dbraw/zinc/04/76/80/370047680.db2.gz QTOMFSKBKXVIJQ-HXUWFJFHSA-N 2 0 294.442 3.136 50 0 CGAARP Cc1ccc(SC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000072149055 176326368 /nfs/dbraw/zinc/32/63/68/176326368.db2.gz GBFQXYJNPSKFCL-HNNXBMFYSA-N 2 0 290.476 3.161 50 0 CGAARP C[C@@H](C1CC[NH+](Cc2cccs2)CC1)[NH+]1CCCC1 ZINC000072420372 369818992 /nfs/dbraw/zinc/81/89/92/369818992.db2.gz GZEOPMBYSAQXAT-AWEZNQCLSA-N 2 0 278.465 3.444 50 0 CGAARP C[C@@H](CCc1ccccc1)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000097095595 370224653 /nfs/dbraw/zinc/22/46/53/370224653.db2.gz FKTGYAGGXRMRGY-ZLPCBKJTSA-N 2 0 274.452 3.457 50 0 CGAARP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000095421695 370188915 /nfs/dbraw/zinc/18/89/15/370188915.db2.gz XOEGFRSSAMPEIG-MRXNPFEDSA-N 2 0 290.451 3.147 50 0 CGAARP Cc1cc(N2CCC[C@H](C[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000096161518 370206112 /nfs/dbraw/zinc/20/61/12/370206112.db2.gz JBBWIJFLXRSYES-MRXNPFEDSA-N 2 0 273.424 3.092 50 0 CGAARP CC(C)([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000095991185 541992686 /nfs/dbraw/zinc/99/26/86/541992686.db2.gz DBFQUFURENGEJA-HZPDHXFCSA-N 2 0 276.399 3.277 50 0 CGAARP Cc1cnccc1CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000277060895 379056181 /nfs/dbraw/zinc/05/61/81/379056181.db2.gz DHLAFZIBDADHFN-CABCVRRESA-N 2 0 264.438 3.052 50 0 CGAARP Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(C)c1 ZINC000020564148 171252988 /nfs/dbraw/zinc/25/29/88/171252988.db2.gz HZRODPSKQXJIAT-UHFFFAOYSA-N 2 0 260.425 3.269 50 0 CGAARP CCC[NH2+]CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000019735503 368761558 /nfs/dbraw/zinc/76/15/58/368761558.db2.gz JMGMVVUKGZQGNF-UHFFFAOYSA-N 2 0 260.425 3.207 50 0 CGAARP C[C@H](C[NH3+])Oc1cccc(C[N@H+](C)Cc2cccs2)c1 ZINC000299768951 373612464 /nfs/dbraw/zinc/61/24/64/373612464.db2.gz HDFIDNWXALRBGT-CYBMUJFWSA-N 2 0 290.432 3.106 50 0 CGAARP CN1C[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000670452029 543155105 /nfs/dbraw/zinc/15/51/05/543155105.db2.gz OJNLNQLONAUOGW-WMZOPIPTSA-N 2 0 295.430 3.151 50 0 CGAARP CC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000103837204 397649070 /nfs/dbraw/zinc/64/90/70/397649070.db2.gz KNUXPLXFANDYFD-SQFISAMPSA-N 2 0 258.409 3.164 50 0 CGAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000007002573 170261544 /nfs/dbraw/zinc/26/15/44/170261544.db2.gz YONAELDLEWCCKF-CYBMUJFWSA-N 2 0 252.402 3.188 50 0 CGAARP CC(C)([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000685939749 544109863 /nfs/dbraw/zinc/10/98/63/544109863.db2.gz DBFQUFURENGEJA-CVEARBPZSA-N 2 0 276.399 3.277 50 0 CGAARP Cc1ncsc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000863982644 629721694 /nfs/dbraw/zinc/72/16/94/629721694.db2.gz XRZNVUFZUQHDMM-GFCCVEGCSA-N 2 0 289.448 3.364 50 0 CGAARP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccn1 ZINC000096424614 370211572 /nfs/dbraw/zinc/21/15/72/370211572.db2.gz LLKOKULDDAUQQF-UHFFFAOYSA-N 2 0 287.451 3.170 50 0 CGAARP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCF ZINC000170605244 372641196 /nfs/dbraw/zinc/64/11/96/372641196.db2.gz AXQQFKGITZRPCL-GJZGRUSLSA-N 2 0 278.415 3.092 50 0 CGAARP C[N@@H+](Cc1ccc(-c2ccco2)cc1)C[C@H]1CCC[NH2+]C1 ZINC000097758027 541994681 /nfs/dbraw/zinc/99/46/81/541994681.db2.gz QVIOAPXMCFYKEQ-INIZCTEOSA-N 2 0 284.403 3.378 50 0 CGAARP [NH3+][C@H]1CCN(Cc2cccc3c4ccccc4oc32)C1 ZINC000216156133 376158337 /nfs/dbraw/zinc/15/83/37/376158337.db2.gz XQEIQDXCZVRUMR-ZDUSSCGKSA-N 2 0 266.344 3.119 50 0 CGAARP CC1(C)CC([NH2+]C[C@H]2CC=CCC2)CC(C)(C)[NH2+]1 ZINC000020143444 171029128 /nfs/dbraw/zinc/02/91/28/171029128.db2.gz HSMOIQFGPQDYBI-ZDUSSCGKSA-N 2 0 250.430 3.242 50 0 CGAARP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000072162856 275391761 /nfs/dbraw/zinc/39/17/61/275391761.db2.gz WUZDDAOJZUSTTO-INIZCTEOSA-N 2 0 250.430 3.032 50 0 CGAARP Cc1nc(C)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)s1 ZINC000534654485 328339185 /nfs/dbraw/zinc/33/91/85/328339185.db2.gz HBAMLHBBNYSPJR-UHFFFAOYSA-N 2 0 293.480 3.116 50 0 CGAARP COCCC[C@H]1CCCC[N@@H+]1CC1CC[NH+](C(C)C)CC1 ZINC000952869751 800686156 /nfs/dbraw/zinc/68/61/56/800686156.db2.gz NZXOYHYYMZHZFN-GOSISDBHSA-N 2 0 296.499 3.388 50 0 CGAARP c1ccc(C[NH+]2CCC([C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000003735128 344859702 /nfs/dbraw/zinc/85/97/02/344859702.db2.gz IVCGEPPJIMOQCD-GOSISDBHSA-N 2 0 272.436 3.431 50 0 CGAARP Cc1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000798144 368395018 /nfs/dbraw/zinc/39/50/18/368395018.db2.gz LXEUJBRCXJNTFF-UHFFFAOYSA-N 2 0 260.425 3.394 50 0 CGAARP Cc1cc(C)c[n+](CCCCC[n+]2cc(C)cc(C)c2)c1 ZINC000002165317 368449088 /nfs/dbraw/zinc/44/90/88/368449088.db2.gz VFBZRIUWHBWXJI-UHFFFAOYSA-N 2 0 284.447 3.366 50 0 CGAARP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013804034 368667917 /nfs/dbraw/zinc/66/79/17/368667917.db2.gz HRLJEQMOQMTHFP-HDMKZQKVSA-N 2 0 290.451 3.292 50 0 CGAARP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000066354432 369692736 /nfs/dbraw/zinc/69/27/36/369692736.db2.gz LGSNQVMIVAHETM-ROUUACIJSA-N 2 0 266.388 3.003 50 0 CGAARP Cc1nccn1CC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000215618549 376149533 /nfs/dbraw/zinc/14/95/33/376149533.db2.gz OZKZHFAHRJMAFS-UHFFFAOYSA-N 2 0 281.762 3.116 50 0 CGAARP CSCC[N@H+](C)Cc1cccc([C@@H](C)[NH+](C)C)c1 ZINC000215734061 376150472 /nfs/dbraw/zinc/15/04/72/376150472.db2.gz ATGDWWQVAGOCFV-CYBMUJFWSA-N 2 0 266.454 3.104 50 0 CGAARP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000097165816 392261739 /nfs/dbraw/zinc/26/17/39/392261739.db2.gz RWNYUDJENYOZHB-RHSMWYFYSA-N 2 0 260.425 3.164 50 0 CGAARP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038264671 174138198 /nfs/dbraw/zinc/13/81/98/174138198.db2.gz LGSNQVMIVAHETM-MSOLQXFVSA-N 2 0 266.388 3.003 50 0 CGAARP C1C[C@H]2CC[C@H]([NH2+]C3CCC4(CC[NH2+]CC4)CC3)[C@H]2C1 ZINC000077436347 327132504 /nfs/dbraw/zinc/13/25/04/327132504.db2.gz JMOYWRMYXCMDPQ-XIRDDKMYSA-N 2 0 276.468 3.467 50 0 CGAARP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000108113602 186204915 /nfs/dbraw/zinc/20/49/15/186204915.db2.gz ZHOKRGZKGNAMBJ-CABCVRRESA-N 2 0 276.424 3.078 50 0 CGAARP C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000000217650 368318778 /nfs/dbraw/zinc/31/87/78/368318778.db2.gz ZDIFTFWJHWYIBN-GDBMZVCRSA-N 2 0 250.430 3.125 50 0 CGAARP C[N@H+](CCC[C@H]1CCCO1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067740727 369727186 /nfs/dbraw/zinc/72/71/86/369727186.db2.gz YMJIBEVNIBLISS-KRWDZBQOSA-N 2 0 294.483 3.190 50 0 CGAARP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000241447034 376778582 /nfs/dbraw/zinc/77/85/82/376778582.db2.gz NQRKRMQCMMKSOK-ILRDRHFLSA-N 2 0 284.447 3.253 50 0 CGAARP CCC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000249204491 377478697 /nfs/dbraw/zinc/47/86/97/377478697.db2.gz BAXJMRPVHJTNQD-WBVHZDCISA-N 2 0 275.440 3.024 50 0 CGAARP CC1CC[NH+](C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 ZINC000004723257 391921321 /nfs/dbraw/zinc/92/13/21/391921321.db2.gz CSPWYRCWYLFTEB-LZLYRXPVSA-N 2 0 276.468 3.371 50 0 CGAARP CCO[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCC2 ZINC000087709118 392225851 /nfs/dbraw/zinc/22/58/51/392225851.db2.gz NTEVJOKUJWERAP-CABCVRRESA-N 2 0 294.483 3.233 50 0 CGAARP CC[C@@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000670460388 543156382 /nfs/dbraw/zinc/15/63/82/543156382.db2.gz XIGLMULSBNBOSR-MRXNPFEDSA-N 2 0 290.451 3.249 50 0 CGAARP CC(C)([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000685939750 544109980 /nfs/dbraw/zinc/10/99/80/544109980.db2.gz DBFQUFURENGEJA-HOTGVXAUSA-N 2 0 276.399 3.277 50 0 CGAARP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000108113599 186205694 /nfs/dbraw/zinc/20/56/94/186205694.db2.gz ZHOKRGZKGNAMBJ-HUUCEWRRSA-N 2 0 276.424 3.078 50 0 CGAARP C[N@H+](CCC[C@@H]1CCCO1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067740725 369727338 /nfs/dbraw/zinc/72/73/38/369727338.db2.gz YMJIBEVNIBLISS-QGZVFWFLSA-N 2 0 294.483 3.190 50 0 CGAARP Cc1ccc(SCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000299794606 373613666 /nfs/dbraw/zinc/61/36/66/373613666.db2.gz LOUOYFAXLZIBMS-INIZCTEOSA-N 2 0 292.492 3.361 50 0 CGAARP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512009 175188472 /nfs/dbraw/zinc/18/84/72/175188472.db2.gz FTILLWKEUJCVSG-LLVKDONJSA-N 2 0 252.789 3.072 50 0 CGAARP C[NH+](C)CC[C@H]1CCCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072407460 176397860 /nfs/dbraw/zinc/39/78/60/176397860.db2.gz COEDSZUIQLVTSA-QGZVFWFLSA-N 2 0 285.435 3.474 50 0 CGAARP [NH3+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012769449 295279206 /nfs/dbraw/zinc/27/92/06/295279206.db2.gz WSKQPLKZRFNERD-UHFFFAOYSA-N 2 0 266.388 3.408 50 0 CGAARP c1cc2c(cccc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)[nH]1 ZINC000152692604 188036650 /nfs/dbraw/zinc/03/66/50/188036650.db2.gz LEBYSHXFICBSJB-UHFFFAOYSA-N 2 0 297.446 3.476 50 0 CGAARP CCOCC1CC[NH+](Cc2cc(C[NH+](C)C)cs2)CC1 ZINC000215295406 376146521 /nfs/dbraw/zinc/14/65/21/376146521.db2.gz DSEJPMILISHIOM-UHFFFAOYSA-N 2 0 296.480 3.058 50 0 CGAARP C[C@H](C[N@H+](C)CCCc1nccn1C)c1ccccc1 ZINC000216059789 376156338 /nfs/dbraw/zinc/15/63/38/376156338.db2.gz HLHSMTGODBOYFT-OAHLLOKOSA-N 2 0 271.408 3.088 50 0 CGAARP c1nc2cc(CNC3CC[NH+](C4CCCC4)CC3)ccc2[nH]1 ZINC000531380938 270206091 /nfs/dbraw/zinc/20/60/91/270206091.db2.gz APTONTBASKZZCL-UHFFFAOYSA-N 2 0 298.434 3.060 50 0 CGAARP Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCC[NH+](C)C)o1 ZINC000002928672 618659428 /nfs/dbraw/zinc/65/94/28/618659428.db2.gz NZZQGZWZYMCRDL-ZDUSSCGKSA-N 2 0 266.429 3.186 50 0 CGAARP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000095968176 185046981 /nfs/dbraw/zinc/04/69/81/185046981.db2.gz WIJNGVVFZOTGBQ-IAGOWNOFSA-N 2 0 294.483 3.212 50 0 CGAARP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000005276254 368561167 /nfs/dbraw/zinc/56/11/67/368561167.db2.gz HRLJEQMOQMTHFP-RVKKMQEKSA-N 2 0 290.451 3.292 50 0 CGAARP c1cc(-c2ccccc2)oc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434735 368582616 /nfs/dbraw/zinc/58/26/16/368582616.db2.gz SWZBGLPNJVKLSU-UHFFFAOYSA-N 2 0 270.376 3.036 50 0 CGAARP c1ccc([C@H]2[N@H+](C3CC[NH2+]CC3)CC23CCCC3)cc1 ZINC000169676559 372629342 /nfs/dbraw/zinc/62/93/42/372629342.db2.gz TVAFVKHEDLYFOS-QGZVFWFLSA-N 2 0 270.420 3.356 50 0 CGAARP C[C@@H]1[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000241447036 376778795 /nfs/dbraw/zinc/77/87/95/376778795.db2.gz NQRKRMQCMMKSOK-QGWWYQLQSA-N 2 0 284.447 3.253 50 0 CGAARP Cc1cc[n+](CCCCC[n+]2ccc(C)c(C)c2)cc1C ZINC000002156601 169777815 /nfs/dbraw/zinc/77/78/15/169777815.db2.gz XUYXYGRWCRVOHF-UHFFFAOYSA-N 2 0 284.447 3.366 50 0 CGAARP C[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000002464101 618158419 /nfs/dbraw/zinc/15/84/19/618158419.db2.gz ROVBRZAMOJHQBM-HNNXBMFYSA-N 2 0 262.441 3.185 50 0 CGAARP C[N@@H+]1CCCC2(CC[NH+](CC3(C)CCOCC3)CC2)CC1 ZINC000823777485 800468986 /nfs/dbraw/zinc/46/89/86/800468986.db2.gz BFVGIEKSUQENJA-UHFFFAOYSA-N 2 0 294.483 3.001 50 0 CGAARP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)c2cccs2)CC1 ZINC000095968225 185046214 /nfs/dbraw/zinc/04/62/14/185046214.db2.gz DGPMBXVVUNNVBH-CYBMUJFWSA-N 2 0 266.454 3.314 50 0 CGAARP Cc1sc(C)c(C[NH2+]C(C)C)c1C[NH2+]C(C)C ZINC000000190059 368311826 /nfs/dbraw/zinc/31/18/26/368311826.db2.gz ZSFBCWPBDIIUQI-UHFFFAOYSA-N 2 0 254.443 3.361 50 0 CGAARP C[N@H+](CCCNC(=[NH2+])Nc1ccccc1)C1CCCCC1 ZINC000052047566 369462782 /nfs/dbraw/zinc/46/27/82/369462782.db2.gz QCTBOHYOIZXUFV-UHFFFAOYSA-N 2 0 288.439 3.277 50 0 CGAARP Cc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000065399260 369673919 /nfs/dbraw/zinc/67/39/19/369673919.db2.gz RZDPRGKPPKFZRX-UHFFFAOYSA-N 2 0 295.430 3.329 50 0 CGAARP Clc1ccc(C[N@@H+]2CC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000071762174 369809420 /nfs/dbraw/zinc/80/94/20/369809420.db2.gz ZFSMTOLZEIAVKI-HNNXBMFYSA-N 2 0 278.827 3.162 50 0 CGAARP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000095421696 370188494 /nfs/dbraw/zinc/18/84/94/370188494.db2.gz XOEGFRSSAMPEIG-INIZCTEOSA-N 2 0 290.451 3.147 50 0 CGAARP C[C@@H]1CCC[C@H]([N@H+](CCC[NH3+])Cc2ccco2)[C@H]1C ZINC000242750559 376783029 /nfs/dbraw/zinc/78/30/29/376783029.db2.gz ZSXDGBYADISEHJ-YCPHGPKFSA-N 2 0 264.413 3.255 50 0 CGAARP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101417992 392270264 /nfs/dbraw/zinc/27/02/64/392270264.db2.gz CDEKEQYZEKYEAI-DGCLKSJQSA-N 2 0 272.314 3.047 50 0 CGAARP CC1CC[NH+](CCC[NH2+]C2CCCCCC2)CC1 ZINC000021018524 278540019 /nfs/dbraw/zinc/54/00/19/278540019.db2.gz XSBAFMZKMUGEOL-UHFFFAOYSA-N 2 0 252.446 3.421 50 0 CGAARP C[NH+]1CCC(CC[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000888098321 619260115 /nfs/dbraw/zinc/26/01/15/619260115.db2.gz GPVSVAMQGFJOAO-SFHVURJKSA-N 2 0 287.451 3.244 50 0 CGAARP COC[C@@H](C)C1CC[NH+](CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000824332728 800470331 /nfs/dbraw/zinc/47/03/31/800470331.db2.gz PJNCEJULZVHDPY-MRXNPFEDSA-N 2 0 296.499 3.103 50 0 CGAARP Cc1c[nH+]c(C)n1C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000409420910 932026109 /nfs/dbraw/zinc/02/61/09/932026109.db2.gz CALHEKKOZIKFOL-INIZCTEOSA-N 2 0 287.382 3.161 50 0 CGAARP C([NH2+][C@@H]1CCCSC1)C1CC[NH+](C2CCCC2)CC1 ZINC000584895397 346723118 /nfs/dbraw/zinc/72/31/18/346723118.db2.gz BGFSQVSRUFQOAW-OAHLLOKOSA-N 2 0 282.497 3.126 50 0 CGAARP Cc1ccc2[nH+]c3c(c(NCC[NH+](C)C)c2c1)CCC3 ZINC000000142596 368300742 /nfs/dbraw/zinc/30/07/42/368300742.db2.gz DOGNOPHQPMQYGN-UHFFFAOYSA-N 2 0 269.392 3.005 50 0 CGAARP CCC[NH+]1CCC([N@H+](C)CCc2ccccc2)CC1 ZINC000000757091 368393382 /nfs/dbraw/zinc/39/33/82/368393382.db2.gz CEHNLXLMRIEOTM-UHFFFAOYSA-N 2 0 260.425 3.035 50 0 CGAARP Clc1ccc(C[NH2+]CC2CC[NH2+]CC2)c(Cl)c1 ZINC000010434636 368581928 /nfs/dbraw/zinc/58/19/28/368581928.db2.gz OBKMZTPLWIRKBS-UHFFFAOYSA-N 2 0 273.207 3.083 50 0 CGAARP c1ccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000032511598 368933983 /nfs/dbraw/zinc/93/39/83/368933983.db2.gz MSOIMAROVVKBGP-IBGZPJMESA-N 2 0 286.463 3.427 50 0 CGAARP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000067755877 369727022 /nfs/dbraw/zinc/72/70/22/369727022.db2.gz DEEWKVNZTUDXLR-NSHDSACASA-N 2 0 270.779 3.040 50 0 CGAARP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095421884 370187711 /nfs/dbraw/zinc/18/77/11/370187711.db2.gz ZSOLXIZWHVTPMV-CYBMUJFWSA-N 2 0 264.388 3.208 50 0 CGAARP CCC[C@H](C)[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000192850481 375794490 /nfs/dbraw/zinc/79/44/90/375794490.db2.gz RTGXLNOPCGDEMK-DZGCQCFKSA-N 2 0 295.496 3.394 50 0 CGAARP C[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])Cc2ccco2)C[C@H]1C ZINC000239415308 376773583 /nfs/dbraw/zinc/77/35/83/376773583.db2.gz UDTRLIVLFCHUOX-RBSFLKMASA-N 2 0 264.413 3.255 50 0 CGAARP CCc1nccn1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000244795512 376797128 /nfs/dbraw/zinc/79/71/28/376797128.db2.gz RHSOWARHOBSOBT-UHFFFAOYSA-N 2 0 283.419 3.325 50 0 CGAARP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000000312844 169605672 /nfs/dbraw/zinc/60/56/72/169605672.db2.gz KNLXJOKXXMNECJ-UHFFFAOYSA-N 2 0 280.415 3.179 50 0 CGAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000019914694 170924228 /nfs/dbraw/zinc/92/42/28/170924228.db2.gz HJUMHUJUJNDFED-OAHLLOKOSA-N 2 0 278.440 3.295 50 0 CGAARP C[C@@H](c1ccccc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC000044512099 175188327 /nfs/dbraw/zinc/18/83/27/175188327.db2.gz ONGPQRDGZUXOFK-NSHDSACASA-N 2 0 252.789 3.072 50 0 CGAARP Cc1ccc(SC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000072149054 176326689 /nfs/dbraw/zinc/32/66/89/176326689.db2.gz GBFQXYJNPSKFCL-OAHLLOKOSA-N 2 0 290.476 3.161 50 0 CGAARP CS[C@H](C)CC[N@@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000072162652 176330098 /nfs/dbraw/zinc/33/00/98/176330098.db2.gz ABNHGDZPHWRDBP-OAHLLOKOSA-N 2 0 293.480 3.044 50 0 CGAARP CC[NH+]1CCC(C[N@H+](C)Cc2ccnc3ccccc23)CC1 ZINC000020272167 260117168 /nfs/dbraw/zinc/11/71/68/260117168.db2.gz OARBPOFCFGYXDI-UHFFFAOYSA-N 2 0 297.446 3.399 50 0 CGAARP Clc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197640 282507802 /nfs/dbraw/zinc/50/78/02/282507802.db2.gz AYOJPFACHRIQPT-MRXNPFEDSA-N 2 0 278.827 3.304 50 0 CGAARP Cc1oc(-c2ccccc2C)nc1CN1CCC[C@@H](C[NH3+])C1 ZINC000067713220 369726376 /nfs/dbraw/zinc/72/63/76/369726376.db2.gz JRAZCKDAVZJEQI-HNNXBMFYSA-N 2 0 299.418 3.129 50 0 CGAARP Cc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC000067817556 369730496 /nfs/dbraw/zinc/73/04/96/369730496.db2.gz DDSVOMBKJPQESJ-UHFFFAOYSA-N 2 0 296.817 3.363 50 0 CGAARP Cc1cc(C[NH+](C)C)cc(N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000097038876 370216307 /nfs/dbraw/zinc/21/63/07/370216307.db2.gz BNCJLFGHSWYYNH-OAHLLOKOSA-N 2 0 289.467 3.199 50 0 CGAARP [NH3+][C@@H]1CCN(Cc2cccc3c4ccccc4oc32)C1 ZINC000216156177 376159196 /nfs/dbraw/zinc/15/91/96/376159196.db2.gz XQEIQDXCZVRUMR-CYBMUJFWSA-N 2 0 266.344 3.119 50 0 CGAARP CC1(C[NH+]2CCC(CC[NH+]3CCCC3)CC2)CCOCC1 ZINC000822307045 800460903 /nfs/dbraw/zinc/46/09/03/800460903.db2.gz ZBJBGXPHPAEVOW-UHFFFAOYSA-N 2 0 294.483 3.001 50 0 CGAARP C[NH+](C)CCC[NH2+]CCCOc1cccc2ccccc21 ZINC000002822881 368480075 /nfs/dbraw/zinc/48/00/75/368480075.db2.gz WFNABHBKRJYFEK-UHFFFAOYSA-N 2 0 286.419 3.150 50 0 CGAARP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc2ccccc21 ZINC000019958397 368789400 /nfs/dbraw/zinc/78/94/00/368789400.db2.gz QTSFXGWOUFJWIE-CQSZACIVSA-N 2 0 256.393 3.442 50 0 CGAARP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000240551621 376776388 /nfs/dbraw/zinc/77/63/88/376776388.db2.gz GUYBGSUMBRUEQS-GDBMZVCRSA-N 2 0 276.424 3.177 50 0 CGAARP COCC[N@H+](C)CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000097287861 392262130 /nfs/dbraw/zinc/26/21/30/392262130.db2.gz IXJQYRWJLVCZKD-UHFFFAOYSA-N 2 0 284.488 3.149 50 0 CGAARP [NH3+]Cc1c(Cl)c(Cl)c(Cl)c(C[NH3+])c1Cl ZINC000004975105 170047620 /nfs/dbraw/zinc/04/76/20/170047620.db2.gz DVUBTXDOKVCRID-UHFFFAOYSA-N 2 0 273.978 3.218 50 0 CGAARP C[C@@H](C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1)[NH+](C)C ZINC000077406859 177264236 /nfs/dbraw/zinc/26/42/36/177264236.db2.gz GEABCADQSFRUQW-HNNXBMFYSA-N 2 0 299.462 3.340 50 0 CGAARP C[C@@H](c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198199 526093267 /nfs/dbraw/zinc/09/32/67/526093267.db2.gz MTFKEKLLUDEMPN-WMLDXEAASA-N 2 0 258.409 3.212 50 0 CGAARP CCC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000000279706 368331722 /nfs/dbraw/zinc/33/17/22/368331722.db2.gz DXDBIPWABMSWGR-UHFFFAOYSA-N 2 0 280.843 3.347 50 0 CGAARP c1ccc(CC[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000002555576 368463569 /nfs/dbraw/zinc/46/35/69/368463569.db2.gz XCFSNXPXHZDVEC-UHFFFAOYSA-N 2 0 294.442 3.483 50 0 CGAARP CC[NH+](CC)CCC[C@@H](C)NC1=[NH+]CCCCC1 ZINC000004162622 368533628 /nfs/dbraw/zinc/53/36/28/368533628.db2.gz ITSPQVWXOKXVIC-CQSZACIVSA-N 2 0 253.434 3.059 50 0 CGAARP [NH3+]CCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000029047173 368891796 /nfs/dbraw/zinc/89/17/96/368891796.db2.gz IRDRWZMLBBBOJK-UHFFFAOYSA-N 2 0 269.392 3.264 50 0 CGAARP C[C@@H]1CCC[C@H]([N@H+](CCC[NH3+])Cc2ccco2)[C@@H]1C ZINC000032919843 368952396 /nfs/dbraw/zinc/95/23/96/368952396.db2.gz ZSXDGBYADISEHJ-FMKPAKJESA-N 2 0 264.413 3.255 50 0 CGAARP C[C@H](c1ccc(-c2cc(N)cc[nH+]2)cc1)[NH+]1CCCC1 ZINC000065405449 369673908 /nfs/dbraw/zinc/67/39/08/369673908.db2.gz USDQICAYHREHRZ-CYBMUJFWSA-N 2 0 267.376 3.488 50 0 CGAARP CC(C)[N@@H+]1CC[C@H](C[NH+](C)CCSc2ccccc2)C1 ZINC000299794160 373614106 /nfs/dbraw/zinc/61/41/06/373614106.db2.gz IZRPOXGMGSUIKF-MRXNPFEDSA-N 2 0 292.492 3.441 50 0 CGAARP CCC[C@@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192850564 375794075 /nfs/dbraw/zinc/79/40/75/375794075.db2.gz BAXJMRPVHJTNQD-NVXWUHKLSA-N 2 0 275.440 3.024 50 0 CGAARP CSc1ccccc1C[N@H+](C)CCn1ccnc1C ZINC000216283009 376160985 /nfs/dbraw/zinc/16/09/85/376160985.db2.gz NRIBLGUECBOPQE-UHFFFAOYSA-N 2 0 275.421 3.045 50 0 CGAARP CCO[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCC2 ZINC000087709115 392226524 /nfs/dbraw/zinc/22/65/24/392226524.db2.gz NTEVJOKUJWERAP-LSDHHAIUSA-N 2 0 294.483 3.233 50 0 CGAARP c1csc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000069492701 175835125 /nfs/dbraw/zinc/83/51/25/175835125.db2.gz VZDMFIPQAVLNBH-UHFFFAOYSA-N 2 0 278.465 3.098 50 0 CGAARP Cc1cc(N2CCC([C@@H](C)[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000095358526 278707315 /nfs/dbraw/zinc/70/73/15/278707315.db2.gz VHBNOPDWSGYTNW-OAHLLOKOSA-N 2 0 273.424 3.091 50 0 CGAARP Cc1ncsc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000863982645 629720999 /nfs/dbraw/zinc/72/09/99/629720999.db2.gz XRZNVUFZUQHDMM-LBPRGKRZSA-N 2 0 289.448 3.364 50 0 CGAARP C[NH+](C)CCC[NH2+]Cc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000003622915 368516233 /nfs/dbraw/zinc/51/62/33/368516233.db2.gz WAURTXILDBNJCD-UHFFFAOYSA-N 2 0 285.435 3.088 50 0 CGAARP CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174396561 373305670 /nfs/dbraw/zinc/30/56/70/373305670.db2.gz NMLDYRJVIMHGHG-LJQANCHMSA-N 2 0 295.430 3.036 50 0 CGAARP CCC[NH+]1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000004989508 170050193 /nfs/dbraw/zinc/05/01/93/170050193.db2.gz DVGIHHXFZVHJGB-UHFFFAOYSA-N 2 0 250.430 3.341 50 0 CGAARP C[C@H](c1ccccc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC000044512101 175188437 /nfs/dbraw/zinc/18/84/37/175188437.db2.gz ONGPQRDGZUXOFK-LLVKDONJSA-N 2 0 252.789 3.072 50 0 CGAARP C[C@H](Cc1ccsc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000096477134 534156682 /nfs/dbraw/zinc/15/66/82/534156682.db2.gz BORLSRFFCLKALK-CYBMUJFWSA-N 2 0 266.454 3.001 50 0 CGAARP C[C@@H](Cc1ccsc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000096477131 230379873 /nfs/dbraw/zinc/37/98/73/230379873.db2.gz BORLSRFFCLKALK-ZDUSSCGKSA-N 2 0 266.454 3.001 50 0 CGAARP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000095968175 185046851 /nfs/dbraw/zinc/04/68/51/185046851.db2.gz WIJNGVVFZOTGBQ-DLBZAZTESA-N 2 0 294.483 3.212 50 0 CGAARP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000097499424 185617410 /nfs/dbraw/zinc/61/74/10/185617410.db2.gz UMVRHOOKPPEDCD-KRWDZBQOSA-N 2 0 295.430 3.235 50 0 CGAARP Cc1ncsc1C[NH2+][C@@H](C)c1ccc(C[NH+](C)C)cc1 ZINC000585134993 346724214 /nfs/dbraw/zinc/72/42/14/346724214.db2.gz SMXDQSJWNQXOKB-LBPRGKRZSA-N 2 0 289.448 3.364 50 0 CGAARP C[NH2+][C@@H](CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000004253625 368540076 /nfs/dbraw/zinc/54/00/76/368540076.db2.gz SXIGBNTVTDFFML-AWEZNQCLSA-N 2 0 252.789 3.086 50 0 CGAARP c1cn(CC2CC2)c(C2CC[NH+](CC3CCC3)CC2)n1 ZINC000082086744 369998565 /nfs/dbraw/zinc/99/85/65/369998565.db2.gz BCGVEJNUQQNUOK-UHFFFAOYSA-N 2 0 273.424 3.273 50 0 CGAARP C/C(=C\c1ccccc1F)C[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000095698923 345900478 /nfs/dbraw/zinc/90/04/78/345900478.db2.gz FPOIECCDFNHLND-WCRPCQDQSA-N 2 0 276.399 3.303 50 0 CGAARP Clc1cccc(Cl)c1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434637 368582397 /nfs/dbraw/zinc/58/23/97/368582397.db2.gz IMUMTDAWWFSNNY-UHFFFAOYSA-N 2 0 273.207 3.083 50 0 CGAARP C[C@H](c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198198 369643293 /nfs/dbraw/zinc/64/32/93/369643293.db2.gz MTFKEKLLUDEMPN-PBHICJAKSA-N 2 0 258.409 3.212 50 0 CGAARP [NH3+]C[C@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000065525637 369681285 /nfs/dbraw/zinc/68/12/85/369681285.db2.gz GQHSQXSBVIDEBG-MRXNPFEDSA-N 2 0 280.415 3.099 50 0 CGAARP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000097047687 370219297 /nfs/dbraw/zinc/21/92/97/370219297.db2.gz CHILMVDCSKVBOM-CMPLNLGQSA-N 2 0 286.391 3.170 50 0 CGAARP CC(C)[NH2+]C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000097109242 370226123 /nfs/dbraw/zinc/22/61/23/370226123.db2.gz BFYDLQRUTLXXPG-MRXNPFEDSA-N 2 0 274.452 3.328 50 0 CGAARP Cc1nccn1CCC1CC[NH+](Cc2ccoc2)CC1 ZINC000097675386 370250260 /nfs/dbraw/zinc/25/02/60/370250260.db2.gz UHWSOGMGXZQBOZ-UHFFFAOYSA-N 2 0 273.380 3.087 50 0 CGAARP Cn1ccnc1CCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000216266229 376161769 /nfs/dbraw/zinc/16/17/69/376161769.db2.gz XRYISHAWFXMRHF-UHFFFAOYSA-N 2 0 294.402 3.033 50 0 CGAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C2CCC2)C1 ZINC000245616218 393044515 /nfs/dbraw/zinc/04/45/15/393044515.db2.gz MRFJFBMVMXMZCK-LSDHHAIUSA-N 2 0 250.430 3.125 50 0 CGAARP C1CCC([NH+]2CCC([NH+]3CCCCCC3)CC2)C1 ZINC000000858737 275414411 /nfs/dbraw/zinc/41/44/11/275414411.db2.gz KBHYEUHOLQPIHF-UHFFFAOYSA-N 2 0 250.430 3.269 50 0 CGAARP Clc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197633 618742856 /nfs/dbraw/zinc/74/28/56/618742856.db2.gz HLRLYQQCAJUEPQ-INIZCTEOSA-N 2 0 278.827 3.304 50 0 CGAARP COc1ccc(C[N@H+](C)C[C@H](C)C[NH+]2CCCC2)c(C)c1 ZINC000952973309 636775606 /nfs/dbraw/zinc/77/56/06/636775606.db2.gz YHPWQELKARVCAC-HNNXBMFYSA-N 2 0 290.451 3.167 50 0 CGAARP [NH3+]Cc1c(Cl)c(Cl)c(C[NH3+])c(Cl)c1Cl ZINC000031331632 368913156 /nfs/dbraw/zinc/91/31/56/368913156.db2.gz SEDAWQAAXOJIPH-UHFFFAOYSA-N 2 0 273.978 3.218 50 0 CGAARP Cc1sc2c(ccc3c2C(C)(C)C(C)=[N+]3C)[n+]1C ZINC000027987876 368879247 /nfs/dbraw/zinc/87/92/47/368879247.db2.gz QCLCFIXZDJDHBY-UHFFFAOYSA-N 2 0 260.406 3.060 50 0 CGAARP CSc1ccccc1CN(C)C[C@@]1(C)CC[N@H+](C)C1 ZINC000214983706 376144614 /nfs/dbraw/zinc/14/46/14/376144614.db2.gz KBKIWYOFCSCPJV-INIZCTEOSA-N 2 0 278.465 3.182 50 0 CGAARP c1cc(-c2ccccc2)sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000215149390 376146191 /nfs/dbraw/zinc/14/61/91/376146191.db2.gz MAFGVONGFBSJSD-GASCZTMLSA-N 2 0 284.428 3.066 50 0 CGAARP C[NH+](C)Cc1csc(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000243956764 376788959 /nfs/dbraw/zinc/78/89/59/376788959.db2.gz CDPKDENRIPRICI-UHFFFAOYSA-N 2 0 290.432 3.147 50 0 CGAARP C[NH+](C)/C=C/c1ccnc(-c2cc(/C=C/[NH+](C)C)ccn2)c1 ZINC000038195934 174136540 /nfs/dbraw/zinc/13/65/40/174136540.db2.gz PMOOYDXWOVKBRY-MKICQXMISA-N 2 0 294.402 3.208 50 0 CGAARP CC(C)C[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000089840170 278869526 /nfs/dbraw/zinc/86/95/26/278869526.db2.gz SIHMWQORWJHVAB-UHFFFAOYSA-N 2 0 252.446 3.419 50 0 CGAARP CCC(CC)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000096006945 185062885 /nfs/dbraw/zinc/06/28/85/185062885.db2.gz JHXWGXHZYNBMLP-ZWKOTPCHSA-N 2 0 296.499 3.433 50 0 CGAARP Cc1cc(N2CCC[N@H+](CCc3ccccc3)CC2)cc[nH+]1 ZINC000065396889 369671942 /nfs/dbraw/zinc/67/19/42/369671942.db2.gz RZTWXRGFWKUFBN-UHFFFAOYSA-N 2 0 295.430 3.145 50 0 CGAARP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(-c2ccco2)c1 ZINC000426604510 372166164 /nfs/dbraw/zinc/16/61/64/372166164.db2.gz OCFTUMGZLPRJLT-CJNGLKHVSA-N 2 0 270.376 3.258 50 0 CGAARP CCN(Cc1cc(F)cc(Cl)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000215493825 392987139 /nfs/dbraw/zinc/98/71/39/392987139.db2.gz BKEGSAULXBIHSB-GFCCVEGCSA-N 2 0 284.806 3.253 50 0 CGAARP c1ccc(C[NH+]2CCC(C[NH2+]Cc3cccnc3)CC2)cc1 ZINC000008703046 170347756 /nfs/dbraw/zinc/34/77/56/170347756.db2.gz SAMFQIPNIOCXQV-UHFFFAOYSA-N 2 0 295.430 3.083 50 0 CGAARP Cc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000274967216 525268162 /nfs/dbraw/zinc/26/81/62/525268162.db2.gz XMPPYTGVKIUUTR-UHFFFAOYSA-N 2 0 282.391 3.114 50 0 CGAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc2ccccc2[nH]1 ZINC000090577294 345790701 /nfs/dbraw/zinc/79/07/01/345790701.db2.gz WNPKZWMDHQEOKA-QWQRMKEZSA-N 2 0 285.435 3.029 50 0 CGAARP Clc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197457 369643099 /nfs/dbraw/zinc/64/30/99/369643099.db2.gz VSFOSUGCBDXZCZ-INIZCTEOSA-N 2 0 278.827 3.304 50 0 CGAARP C[N@@H+]1CCCc2c(c3ccccc3n2-c2cc[nH+]cc2)C1 ZINC000075567372 369913879 /nfs/dbraw/zinc/91/38/79/369913879.db2.gz AOMBYKRBLJVRBN-UHFFFAOYSA-N 2 0 277.371 3.404 50 0 CGAARP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000076453634 369938723 /nfs/dbraw/zinc/93/87/23/369938723.db2.gz ZHOKRGZKGNAMBJ-LSDHHAIUSA-N 2 0 276.424 3.078 50 0 CGAARP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c2ccccc12 ZINC000097229202 370234955 /nfs/dbraw/zinc/23/49/55/370234955.db2.gz YLUQFQCACIJUHN-DZGCQCFKSA-N 2 0 284.403 3.160 50 0 CGAARP C[C@H](CCc1ccccc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000002464102 618158634 /nfs/dbraw/zinc/15/86/34/618158634.db2.gz ROVBRZAMOJHQBM-OAHLLOKOSA-N 2 0 262.441 3.185 50 0 CGAARP c1coc(CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000067722954 369725554 /nfs/dbraw/zinc/72/55/54/369725554.db2.gz CQKWKBZMUNUKCM-UHFFFAOYSA-N 2 0 276.424 3.114 50 0 CGAARP CCCC[C@@H]1C=CC[N@@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000215155171 376145968 /nfs/dbraw/zinc/14/59/68/376145968.db2.gz PBXYQHAZPOXPKP-QGZVFWFLSA-N 2 0 258.409 3.118 50 0 CGAARP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000097162663 392260518 /nfs/dbraw/zinc/26/05/18/392260518.db2.gz GUYBGSUMBRUEQS-GOEBONIOSA-N 2 0 276.424 3.177 50 0 CGAARP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000108333208 397652985 /nfs/dbraw/zinc/65/29/85/397652985.db2.gz NQRKRMQCMMKSOK-STEAMIEHSA-N 2 0 284.447 3.253 50 0 CGAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)cc1 ZINC000071589728 295240654 /nfs/dbraw/zinc/24/06/54/295240654.db2.gz XEBMDKZQSRHPAH-YHFFBGSDSA-N 2 0 284.447 3.056 50 0 CGAARP C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC001529151958 938071283 /nfs/dbraw/zinc/07/12/83/938071283.db2.gz ICOLOONGTLSLTA-HIFRSBDPSA-N 2 0 296.842 3.168 50 0 CGAARP C([NH2+][C@H]1CCCSC1)C1CC[NH+](C2CCCC2)CC1 ZINC000584895396 346723073 /nfs/dbraw/zinc/72/30/73/346723073.db2.gz BGFSQVSRUFQOAW-HNNXBMFYSA-N 2 0 282.497 3.126 50 0 CGAARP c1cc(C2CC[NH2+]CC2)cc2c3c4n(c12)CC[NH2+][C@@H]4CCC3 ZINC000003073347 368489747 /nfs/dbraw/zinc/48/97/47/368489747.db2.gz QBMNERLYIWAKMG-QGZVFWFLSA-N 2 0 295.430 3.089 50 0 CGAARP C[C@H](CCc1ccccc1)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000097095596 370224949 /nfs/dbraw/zinc/22/49/49/370224949.db2.gz FKTGYAGGXRMRGY-FAEJEUNOSA-N 2 0 274.452 3.457 50 0 CGAARP c1c2ccccc2sc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000299802406 373613753 /nfs/dbraw/zinc/61/37/53/373613753.db2.gz LPXZJQSPIPXZCD-ZBFHGGJFSA-N 2 0 286.444 3.475 50 0 CGAARP CC[NH+](CC)CCC[C@H](C)NC1=[NH+]CCCCC1 ZINC000004162625 284608426 /nfs/dbraw/zinc/60/84/26/284608426.db2.gz ITSPQVWXOKXVIC-AWEZNQCLSA-N 2 0 253.434 3.059 50 0 CGAARP Cc1cnccc1CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000277060901 379055893 /nfs/dbraw/zinc/05/58/93/379055893.db2.gz DHLAFZIBDADHFN-HUUCEWRRSA-N 2 0 264.438 3.052 50 0 CGAARP CCn1c2ccccc2c2cc(C[NH2+]CCC[NH3+])ccc21 ZINC000037713640 173632082 /nfs/dbraw/zinc/63/20/82/173632082.db2.gz GGZQFGPBBGIVHF-UHFFFAOYSA-N 2 0 281.403 3.253 50 0 CGAARP Cc1cc(NCC2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000044526246 175191437 /nfs/dbraw/zinc/19/14/37/175191437.db2.gz MQHIQIOPFYEDSR-UHFFFAOYSA-N 2 0 269.392 3.297 50 0 CGAARP Cn1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c2ccccc21 ZINC000072147084 176326006 /nfs/dbraw/zinc/32/60/06/176326006.db2.gz GTFDQGVGZQZCLX-UHFFFAOYSA-N 2 0 297.446 3.144 50 0 CGAARP C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101417990 277053330 /nfs/dbraw/zinc/05/33/30/277053330.db2.gz CDEKEQYZEKYEAI-WCQYABFASA-N 2 0 272.314 3.047 50 0 CGAARP COc1ccccc1C[NH2+]CCc1cccc(C[NH+](C)C)c1 ZINC000072289934 345408126 /nfs/dbraw/zinc/40/81/26/345408126.db2.gz RRPZJHPJRUGCIL-UHFFFAOYSA-N 2 0 298.430 3.089 50 0 CGAARP CCC[NH+]1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004010985 368525423 /nfs/dbraw/zinc/52/54/23/368525423.db2.gz QXZQINDZMQDFRZ-UHFFFAOYSA-N 2 0 276.468 3.419 50 0 CGAARP C[C@H]1C[C@H]([N@H+](C)CCc2ccc(F)cc2Cl)CCN1C ZINC000252548720 377637480 /nfs/dbraw/zinc/63/74/80/377637480.db2.gz QHNBXKJCOJBFDQ-SWLSCSKDSA-N 2 0 298.833 3.436 50 0 CGAARP c1cc(C2CC[NH2+]CC2)cc2c3c4n(c12)CC[NH2+][C@H]4CCC3 ZINC000003073346 304851126 /nfs/dbraw/zinc/85/11/26/304851126.db2.gz QBMNERLYIWAKMG-KRWDZBQOSA-N 2 0 295.430 3.089 50 0 CGAARP Cc1ccc(C[NH2+]CCCC[NH+]2CCCCCC2)o1 ZINC001506404439 937989654 /nfs/dbraw/zinc/98/96/54/937989654.db2.gz XWWPBMSOHDCCPS-UHFFFAOYSA-N 2 0 264.413 3.334 50 0 CGAARP c1ccc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000067489691 369718418 /nfs/dbraw/zinc/71/84/18/369718418.db2.gz BUSPMALNNPHGDE-IBGZPJMESA-N 2 0 280.415 3.415 50 0 CGAARP Cc1oc(-c2ccccc2C)nc1CN1CCC[C@H](C[NH3+])C1 ZINC000067713219 369725366 /nfs/dbraw/zinc/72/53/66/369725366.db2.gz JRAZCKDAVZJEQI-OAHLLOKOSA-N 2 0 299.418 3.129 50 0 CGAARP CCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000095423661 370190042 /nfs/dbraw/zinc/19/00/42/370190042.db2.gz DSZSZKMGNQNZKV-UHFFFAOYSA-N 2 0 250.430 3.031 50 0 CGAARP C[C@@H](CCc1c[nH]c2ccccc12)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426739117 372171122 /nfs/dbraw/zinc/17/11/22/372171122.db2.gz WCIFBVNRBHWVFY-AMVTXUCVSA-N 2 0 297.446 3.158 50 0 CGAARP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000007002588 279101745 /nfs/dbraw/zinc/10/17/45/279101745.db2.gz GJHDBBLZJGGCLE-HNNXBMFYSA-N 2 0 278.440 3.295 50 0 CGAARP C[NH+](C)CCOc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000096147798 185106636 /nfs/dbraw/zinc/10/66/36/185106636.db2.gz BYYOJAYSWQIFKE-UHFFFAOYSA-N 2 0 298.430 3.356 50 0 CGAARP CC(C)Cc1ncc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000090668528 180020482 /nfs/dbraw/zinc/02/04/82/180020482.db2.gz GFLRVJXFIJUNFW-ZDUSSCGKSA-N 2 0 295.496 3.162 50 0 CGAARP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000095420213 370188620 /nfs/dbraw/zinc/18/86/20/370188620.db2.gz LFBQTRYLMBTDFV-CABCVRRESA-N 2 0 250.430 3.195 50 0 CGAARP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000097732987 370251591 /nfs/dbraw/zinc/25/15/91/370251591.db2.gz WCYCRVDBCCSZDK-UHFFFAOYSA-N 2 0 270.376 3.117 50 0 CGAARP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2n1 ZINC000187640514 375063057 /nfs/dbraw/zinc/06/30/57/375063057.db2.gz GPOZZHBTIXEKMW-MRXNPFEDSA-N 2 0 295.430 3.117 50 0 CGAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000007002582 284606205 /nfs/dbraw/zinc/60/62/05/284606205.db2.gz GJHDBBLZJGGCLE-OAHLLOKOSA-N 2 0 278.440 3.295 50 0 CGAARP CCC[C@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000249204489 377479313 /nfs/dbraw/zinc/47/93/13/377479313.db2.gz BAXJMRPVHJTNQD-RDJZCZTQSA-N 2 0 275.440 3.024 50 0 CGAARP C[C@@H]1CC[C@H]([N@H+](CCC[NH3+])Cc2ccco2)C[C@@H]1C ZINC000004820464 170023490 /nfs/dbraw/zinc/02/34/90/170023490.db2.gz UDTRLIVLFCHUOX-ILXRZTDVSA-N 2 0 264.413 3.255 50 0 CGAARP Fc1ccccc1-c1ccc(C[NH2+]CC2CC[NH2+]CC2)o1 ZINC000010434736 170406724 /nfs/dbraw/zinc/40/67/24/170406724.db2.gz BKKIDCVJJCQWKU-UHFFFAOYSA-N 2 0 288.366 3.175 50 0 CGAARP COc1c(N)cc[nH+]c1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000215705676 277364763 /nfs/dbraw/zinc/36/47/63/277364763.db2.gz BLTXENIZTAISJS-ZDUSSCGKSA-N 2 0 297.402 3.496 50 0 CGAARP C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000253369835 346394420 /nfs/dbraw/zinc/39/44/20/346394420.db2.gz IQFMRHVWZIBDBH-KKUMJFAQSA-N 2 0 282.497 3.125 50 0 CGAARP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000019912856 368781974 /nfs/dbraw/zinc/78/19/74/368781974.db2.gz YSMLZZYPBHOMBN-OAHLLOKOSA-N 2 0 276.424 3.049 50 0 CGAARP CC(C)([NH2+]C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000067540561 369720325 /nfs/dbraw/zinc/72/03/25/369720325.db2.gz LJYIHSHGRAVLQZ-UHFFFAOYSA-N 2 0 268.404 3.417 50 0 CGAARP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000095420212 370188932 /nfs/dbraw/zinc/18/89/32/370188932.db2.gz LFBQTRYLMBTDFV-GJZGRUSLSA-N 2 0 250.430 3.195 50 0 CGAARP C[C@@H](C1CC[NH+](C[C@@H]2CC23CCC3)CC1)[NH+]1CCCC1 ZINC000032587289 391970196 /nfs/dbraw/zinc/97/01/96/391970196.db2.gz AYQMOFYUFAWQFU-RDJZCZTQSA-N 2 0 276.468 3.373 50 0 CGAARP CCCCCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524728976 392936750 /nfs/dbraw/zinc/93/67/50/392936750.db2.gz MZQULUHGEYIEKD-JKSUJKDBSA-N 2 0 252.446 3.421 50 0 biogenic CGAARP C[NH+](C)CC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000823693099 800468858 /nfs/dbraw/zinc/46/88/58/800468858.db2.gz WOZWJKOPSPDJGW-INIZCTEOSA-N 2 0 250.430 3.151 50 0 CGAARP [NH3+]C1(C2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000095708177 185018044 /nfs/dbraw/zinc/01/80/44/185018044.db2.gz BPQNQVSMKCEFRO-UHFFFAOYSA-N 2 0 278.399 3.199 50 0 CGAARP [NH3+]C1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000167079068 346188136 /nfs/dbraw/zinc/18/81/36/346188136.db2.gz JOKPZELNQHQNDX-UHFFFAOYSA-N 2 0 292.426 3.298 50 0 CGAARP CCc1nccn1C[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000584885347 346721429 /nfs/dbraw/zinc/72/14/29/346721429.db2.gz WJQCIPUBURCWBA-AWEZNQCLSA-N 2 0 269.392 3.113 50 0 CGAARP Cc1ccc[n+](CCCCCC[n+]2cccc(C)c2)c1 ZINC000002156596 368447731 /nfs/dbraw/zinc/44/77/31/368447731.db2.gz WCMRFNBAKBTMKX-UHFFFAOYSA-N 2 0 270.420 3.139 50 0 CGAARP CCc1csc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067954375 369737097 /nfs/dbraw/zinc/73/70/97/369737097.db2.gz VYTBVZFUMRKGJP-UHFFFAOYSA-N 2 0 293.480 3.108 50 0 CGAARP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000076453640 369938689 /nfs/dbraw/zinc/93/86/89/369938689.db2.gz ZHOKRGZKGNAMBJ-GJZGRUSLSA-N 2 0 276.424 3.078 50 0 CGAARP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000097038863 370216501 /nfs/dbraw/zinc/21/65/01/370216501.db2.gz XLQWRAZBFROFPJ-RLFYNMQTSA-N 2 0 289.467 3.197 50 0 CGAARP C[N@@H+](Cc1ccc(-c2ccco2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000097758026 370253197 /nfs/dbraw/zinc/25/31/97/370253197.db2.gz QVIOAPXMCFYKEQ-MRXNPFEDSA-N 2 0 284.403 3.378 50 0 CGAARP C[NH+](C)Cc1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC000097632143 370248108 /nfs/dbraw/zinc/24/81/08/370248108.db2.gz IEPJCMAAIDGTAY-UHFFFAOYSA-N 2 0 295.430 3.406 50 0 CGAARP Cc1ccc(SCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000299794607 373613919 /nfs/dbraw/zinc/61/39/19/373613919.db2.gz LOUOYFAXLZIBMS-MRXNPFEDSA-N 2 0 292.492 3.361 50 0 CGAARP CC(C)([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000095991186 541993094 /nfs/dbraw/zinc/99/30/94/541993094.db2.gz DBFQUFURENGEJA-JKSUJKDBSA-N 2 0 276.399 3.277 50 0 CGAARP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000094522120 165351971 /nfs/dbraw/zinc/35/19/71/165351971.db2.gz HMYYQHHZBUFCNO-CYBMUJFWSA-N 2 0 258.409 3.123 50 0 CGAARP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000021801758 171326019 /nfs/dbraw/zinc/32/60/19/171326019.db2.gz JNYMHKIMKDVVKW-OAHLLOKOSA-N 2 0 272.436 3.312 50 0 CGAARP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)o1 ZINC000072129570 176321251 /nfs/dbraw/zinc/32/12/51/176321251.db2.gz VBSNQJNGVJFQKL-DOTOQJQBSA-N 2 0 276.424 3.284 50 0 CGAARP Cc1nc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)c(C)s1 ZINC000534649858 328344215 /nfs/dbraw/zinc/34/42/15/328344215.db2.gz YRQVOURELONULV-UHFFFAOYSA-N 2 0 293.480 3.116 50 0 CGAARP C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000000217659 368318969 /nfs/dbraw/zinc/31/89/69/368318969.db2.gz ZDIFTFWJHWYIBN-ZBFHGGJFSA-N 2 0 250.430 3.125 50 0 CGAARP CCC[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000000277257 368330912 /nfs/dbraw/zinc/33/09/12/368330912.db2.gz OSTFEBZJTSDZPP-UHFFFAOYSA-N 2 0 276.468 3.275 50 0 CGAARP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccccc1OC ZINC000019914696 368783846 /nfs/dbraw/zinc/78/38/46/368783846.db2.gz HJUMHUJUJNDFED-HNNXBMFYSA-N 2 0 278.440 3.295 50 0 CGAARP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000065371376 369669307 /nfs/dbraw/zinc/66/93/07/369669307.db2.gz JWSHXTWBXWHCKH-GFCCVEGCSA-N 2 0 286.341 3.266 50 0 CGAARP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000097047688 370219318 /nfs/dbraw/zinc/21/93/18/370219318.db2.gz CHILMVDCSKVBOM-ZYHUDNBSSA-N 2 0 286.391 3.170 50 0 CGAARP Cc1ccc2[nH]c3c(c2c1)C[C@H]([N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)CC3 ZINC000221910492 393007740 /nfs/dbraw/zinc/00/77/40/393007740.db2.gz PTLMZEYXCKHWKI-RRFJBIMHSA-N 2 0 297.446 3.003 50 0 CGAARP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000021801761 171326030 /nfs/dbraw/zinc/32/60/30/171326030.db2.gz JNYMHKIMKDVVKW-HNNXBMFYSA-N 2 0 272.436 3.312 50 0 CGAARP COC(C)(C)C[C@@H](C)[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000824250098 800470255 /nfs/dbraw/zinc/47/02/55/800470255.db2.gz RTMJAJCLQPSYFS-OAHLLOKOSA-N 2 0 296.499 3.434 50 0 CGAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc2ccccc2[nH]1 ZINC000090577290 180008641 /nfs/dbraw/zinc/00/86/41/180008641.db2.gz WNPKZWMDHQEOKA-GLJUWKHASA-N 2 0 285.435 3.029 50 0 CGAARP CC(C)n1cc([C@@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000090707631 180027958 /nfs/dbraw/zinc/02/79/58/180027958.db2.gz QBSCVDXYICVXNV-HPUBIQBYSA-N 2 0 292.471 3.235 50 0 CGAARP CCOc1ccc2ccccc2c1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434697 368582381 /nfs/dbraw/zinc/58/23/81/368582381.db2.gz SHASHMDVENOVJT-UHFFFAOYSA-N 2 0 298.430 3.328 50 0 CGAARP C(C[NH2+]C1CC[NH+](C2CCCC2)CC1)COC1CCCC1 ZINC000095421322 370187829 /nfs/dbraw/zinc/18/78/29/370187829.db2.gz TUOTUGGWHOGTOV-UHFFFAOYSA-N 2 0 294.483 3.332 50 0 CGAARP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000170590928 372640284 /nfs/dbraw/zinc/64/02/84/372640284.db2.gz MRFJFBMVMXMZCK-GJZGRUSLSA-N 2 0 250.430 3.125 50 0 CGAARP COc1c(N)cc[nH+]c1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000215705724 376150086 /nfs/dbraw/zinc/15/00/86/376150086.db2.gz BLTXENIZTAISJS-CYBMUJFWSA-N 2 0 297.402 3.496 50 0 CGAARP Cc1ccc2[nH]c3c(c2c1)C[C@H]([N@H+]1C[C@@H](C[NH3+])C[C@H]1C)CC3 ZINC000108480986 397653088 /nfs/dbraw/zinc/65/30/88/397653088.db2.gz PTLMZEYXCKHWKI-RBSFLKMASA-N 2 0 297.446 3.003 50 0 CGAARP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000006667611 170224163 /nfs/dbraw/zinc/22/41/63/170224163.db2.gz GYGOVHYTHYZJDK-OAHLLOKOSA-N 2 0 292.467 3.194 50 0 CGAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000170590927 287272325 /nfs/dbraw/zinc/27/23/25/287272325.db2.gz MRFJFBMVMXMZCK-CABCVRRESA-N 2 0 250.430 3.125 50 0 CGAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccsc2)CC1 ZINC000077375273 177260114 /nfs/dbraw/zinc/26/01/14/177260114.db2.gz FLLRLKFEVAQNRF-UHFFFAOYSA-N 2 0 287.432 3.164 50 0 CGAARP Cc1ccc(C[NH+]2CCC(Cn3c(C)c[nH+]c3C)CC2)o1 ZINC000409420814 932025291 /nfs/dbraw/zinc/02/52/91/932025291.db2.gz CEHMYVQGAIWGSI-UHFFFAOYSA-N 2 0 287.407 3.314 50 0 CGAARP C[C@@H]([NH2+]C1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195557280 346273762 /nfs/dbraw/zinc/27/37/62/346273762.db2.gz NSDLRXFGHMZGKH-ZIAGYGMSSA-N 2 0 282.497 3.125 50 0 CGAARP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000140514 368299916 /nfs/dbraw/zinc/29/99/16/368299916.db2.gz XXOHDYYWLVIMAX-UHFFFAOYSA-N 2 0 276.424 3.094 50 0 CGAARP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000062426748 369624240 /nfs/dbraw/zinc/62/42/40/369624240.db2.gz BPQQCPKAIZBHNI-QGZVFWFLSA-N 2 0 272.436 3.431 50 0 CGAARP CC(C)c1ccc(CC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000097165818 392262277 /nfs/dbraw/zinc/26/22/77/392262277.db2.gz RWNYUDJENYOZHB-PBHICJAKSA-N 2 0 260.425 3.164 50 0 CGAARP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000094522119 165353257 /nfs/dbraw/zinc/35/32/57/165353257.db2.gz HMYYQHHZBUFCNO-ZDUSSCGKSA-N 2 0 258.409 3.123 50 0 CGAARP COC(C)(C)C[C@H](C)[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000824250096 800470062 /nfs/dbraw/zinc/47/00/62/800470062.db2.gz RTMJAJCLQPSYFS-HNNXBMFYSA-N 2 0 296.499 3.434 50 0 CGAARP CCc1nccn1CCC[NH2+]Cc1cc2ccccc2o1 ZINC001506396145 937989490 /nfs/dbraw/zinc/98/94/90/937989490.db2.gz ANUAROVXPGZUTB-UHFFFAOYSA-N 2 0 283.375 3.372 50 0 CGAARP CC[N@@H+]1CC[C@H](C[NH+](C)CCSc2ccccc2)C1 ZINC001529110463 938071065 /nfs/dbraw/zinc/07/10/65/938071065.db2.gz NVCFGPMTCIGCSC-OAHLLOKOSA-N 2 0 278.465 3.052 50 0 CGAARP [NH3+]CCCOc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000149988166 346132361 /nfs/dbraw/zinc/13/23/61/346132361.db2.gz KPLZORPVOZLLIE-UHFFFAOYSA-N 2 0 276.424 3.180 50 0 CGAARP CCC[NH+]1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000000279519 368331458 /nfs/dbraw/zinc/33/14/58/368331458.db2.gz LVTPGQLLYCAFDE-HNNXBMFYSA-N 2 0 260.425 3.254 50 0 CGAARP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000055326915 369514276 /nfs/dbraw/zinc/51/42/76/369514276.db2.gz QAQPXANUEPPBBB-LSDHHAIUSA-N 2 0 293.842 3.089 50 0 CGAARP Fc1cccc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000067955478 369736265 /nfs/dbraw/zinc/73/62/65/369736265.db2.gz BERDTCLXMBLBKX-UHFFFAOYSA-N 2 0 290.426 3.270 50 0 CGAARP Fc1cccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1F ZINC000080959020 369991879 /nfs/dbraw/zinc/99/18/79/369991879.db2.gz FPHKTZPBGCNIBV-LBPRGKRZSA-N 2 0 277.318 3.068 50 0 CGAARP C[C@@H](C[N@H+](C)CCCc1nccn1C)c1ccccc1 ZINC000216059739 376156664 /nfs/dbraw/zinc/15/66/64/376156664.db2.gz HLHSMTGODBOYFT-HNNXBMFYSA-N 2 0 271.408 3.088 50 0 CGAARP CSCC[N@H+](C)Cc1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000216053063 376157098 /nfs/dbraw/zinc/15/70/98/376157098.db2.gz PODDCYPUTSELLS-CYBMUJFWSA-N 2 0 266.454 3.104 50 0 CGAARP Nc1cc[nH+]c2c1cccc2-c1cccc2c1CC[NH2+]C2 ZINC000071615091 295365652 /nfs/dbraw/zinc/36/56/52/295365652.db2.gz AIIRSYDQZPDCGC-UHFFFAOYSA-N 2 0 275.355 3.130 50 0 CGAARP C[NH+](C)CCCC[N@H+](C)Cc1ccc2ncccc2c1 ZINC000032511789 927572811 /nfs/dbraw/zinc/57/28/11/927572811.db2.gz PFBOQKAGFDVUPD-UHFFFAOYSA-N 2 0 271.408 3.008 50 0 CGAARP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000095968173 185046238 /nfs/dbraw/zinc/04/62/38/185046238.db2.gz WIJNGVVFZOTGBQ-IRXDYDNUSA-N 2 0 294.483 3.212 50 0 CGAARP c1coc([C@@H](CC[NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000065406702 369673679 /nfs/dbraw/zinc/67/36/79/369673679.db2.gz UJHJMEYZFDJRIE-KRWDZBQOSA-N 2 0 284.403 3.143 50 0 CGAARP C=Cc1cccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC000067786858 369728816 /nfs/dbraw/zinc/72/88/16/369728816.db2.gz ZCTVZVIRMGKMQP-UHFFFAOYSA-N 2 0 270.420 3.247 50 0 CGAARP CSc1ccccc1CN(C)C[C@]1(C)CC[N@H+](C)C1 ZINC000214983757 376144031 /nfs/dbraw/zinc/14/40/31/376144031.db2.gz KBKIWYOFCSCPJV-MRXNPFEDSA-N 2 0 278.465 3.182 50 0 CGAARP CC[N@@H+](Cc1cc(C[NH+](C)C)cs1)C[C@H]1CCCCO1 ZINC000215040420 376144385 /nfs/dbraw/zinc/14/43/85/376144385.db2.gz VOYKAMUZMJEBFQ-OAHLLOKOSA-N 2 0 296.480 3.201 50 0 CGAARP Cc1cc(N2CC[NH+](C(C)C)CC2)c2ccccc2[nH+]1 ZINC000089583035 135059972 /nfs/dbraw/zinc/05/99/72/135059972.db2.gz AZRYYXIRKMEGKE-UHFFFAOYSA-N 2 0 269.392 3.074 50 0 CGAARP C[NH+](C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072407459 176397730 /nfs/dbraw/zinc/39/77/30/176397730.db2.gz COEDSZUIQLVTSA-KRWDZBQOSA-N 2 0 285.435 3.474 50 0 CGAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc2ccccc2[nH]1 ZINC000090577292 345790480 /nfs/dbraw/zinc/79/04/80/345790480.db2.gz WNPKZWMDHQEOKA-HBUWYVDXSA-N 2 0 285.435 3.029 50 0 CGAARP Cc1cc(N2CCN(c3cc(C)[nH+]c(C)c3)CC2)cc(C)[nH+]1 ZINC000004619062 368552553 /nfs/dbraw/zinc/55/25/53/368552553.db2.gz IPFOIPUAPFAJLU-UHFFFAOYSA-N 2 0 296.418 3.037 50 0 CGAARP c1ccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000032511599 368934322 /nfs/dbraw/zinc/93/43/22/368934322.db2.gz MSOIMAROVVKBGP-LJQANCHMSA-N 2 0 286.463 3.427 50 0 CGAARP C[N@H+](CCCNC(=[NH2+])Nc1ccccc1)Cc1ccccc1 ZINC000057752220 369545569 /nfs/dbraw/zinc/54/55/69/369545569.db2.gz DHQDPGKRQJKTLO-UHFFFAOYSA-N 2 0 296.418 3.145 50 0 CGAARP C[C@@H](C[NH3+])Oc1cccc(C[N@H+](C)Cc2cccs2)c1 ZINC000299768952 373612540 /nfs/dbraw/zinc/61/25/40/373612540.db2.gz HDFIDNWXALRBGT-ZDUSSCGKSA-N 2 0 290.432 3.106 50 0 CGAARP CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000072140062 392196150 /nfs/dbraw/zinc/19/61/50/392196150.db2.gz FZKJWRDENQDZAH-GOSISDBHSA-N 2 0 272.436 3.386 50 0 CGAARP CC[NH+](CC)CCCNc1cc(C)[nH+]c2ccc(C)cc12 ZINC000005809468 170142001 /nfs/dbraw/zinc/14/20/01/170142001.db2.gz IMENHPVQSAUKGZ-UHFFFAOYSA-N 2 0 285.435 3.417 50 0 CGAARP Fc1ccc(C[NH2+]CCC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000045796173 175384184 /nfs/dbraw/zinc/38/41/84/175384184.db2.gz YIZHYPMWWQDQDH-UHFFFAOYSA-N 2 0 290.357 3.234 50 0 CGAARP Cc1ccc(C[NH2+]CCC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000045796177 175384200 /nfs/dbraw/zinc/38/42/00/175384200.db2.gz FLAMFYANYJOOLP-UHFFFAOYSA-N 2 0 286.394 3.404 50 0 CGAARP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC2(C)C)C[C@H](C)O1 ZINC000095967500 288159864 /nfs/dbraw/zinc/15/98/64/288159864.db2.gz XALMIQUSRCSBKI-OWCLPIDISA-N 2 0 282.472 3.044 50 0 CGAARP CC[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000131481962 528289831 /nfs/dbraw/zinc/28/98/31/528289831.db2.gz XDZRXQSAHQEOGV-ZDUSSCGKSA-N 2 0 264.388 3.208 50 0 CGAARP c1ccn(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001529174895 938071374 /nfs/dbraw/zinc/07/13/74/938071374.db2.gz YDUUBILOXIZWTJ-GOSISDBHSA-N 2 0 289.467 3.076 50 0 CGAARP Cc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080958804 345691774 /nfs/dbraw/zinc/69/17/74/345691774.db2.gz XOBYDWIVLAOFQX-HNNXBMFYSA-N 2 0 255.365 3.098 50 0 CGAARP C[C@H]([NH2+]C1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195557288 346274243 /nfs/dbraw/zinc/27/42/43/346274243.db2.gz NSDLRXFGHMZGKH-KBPBESRZSA-N 2 0 282.497 3.125 50 0 CGAARP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000003207461 368496067 /nfs/dbraw/zinc/49/60/67/368496067.db2.gz HRLJEQMOQMTHFP-RLFYNMQTSA-N 2 0 290.451 3.292 50 0 CGAARP Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000067674513 369723723 /nfs/dbraw/zinc/72/37/23/369723723.db2.gz HYCITFGOMOSIFC-GOSISDBHSA-N 2 0 272.436 3.187 50 0 CGAARP [NH3+]CCc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000072429375 369819653 /nfs/dbraw/zinc/81/96/53/369819653.db2.gz WKHJUFWJOKHHFX-QGZVFWFLSA-N 2 0 298.405 3.316 50 0 CGAARP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000097038867 370216347 /nfs/dbraw/zinc/21/63/47/370216347.db2.gz XLQWRAZBFROFPJ-HDMKZQKVSA-N 2 0 289.467 3.197 50 0 CGAARP C[N@H+](Cc1cccc(OCCC[NH3+])c1)C1CCCCC1 ZINC000299796837 373613827 /nfs/dbraw/zinc/61/38/27/373613827.db2.gz PWACRCQWDLJYGB-UHFFFAOYSA-N 2 0 276.424 3.179 50 0 CGAARP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000240551622 376776196 /nfs/dbraw/zinc/77/61/96/376776196.db2.gz GUYBGSUMBRUEQS-ZBFHGGJFSA-N 2 0 276.424 3.177 50 0 CGAARP c1ccc2c(c1)CC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000257191314 377795292 /nfs/dbraw/zinc/79/52/92/377795292.db2.gz PWYLXUBIPYZXPU-UHFFFAOYSA-N 2 0 284.447 3.357 50 0 CGAARP CC1CC[NH+](C2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 ZINC000004723258 170005737 /nfs/dbraw/zinc/00/57/37/170005737.db2.gz CSPWYRCWYLFTEB-JZXOWHBKSA-N 2 0 276.468 3.371 50 0 CGAARP Cn1ccc2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+](C)C)cc21 ZINC000072430242 618672238 /nfs/dbraw/zinc/67/22/38/618672238.db2.gz VSPDGPDWDYCYOB-GOSISDBHSA-N 2 0 299.462 3.485 50 0 CGAARP CC(C)[NH+]1CCC([NH2+]C[C@H](C)c2cccs2)CC1 ZINC000095968226 185046833 /nfs/dbraw/zinc/04/68/33/185046833.db2.gz DGPMBXVVUNNVBH-ZDUSSCGKSA-N 2 0 266.454 3.314 50 0 CGAARP C[n+]1cccc2cc(-c3ccc4c(ccc[n+]4C)c3)ccc21 ZINC000001189768 368404718 /nfs/dbraw/zinc/40/47/18/368404718.db2.gz HNMIEBGHNGCGHS-UHFFFAOYSA-N 2 0 286.378 3.309 50 0 CGAARP Cc1ccc2[nH+]c3c(c(NCCC[NH+](C)C)c2c1)CCC3 ZINC000004339823 368543360 /nfs/dbraw/zinc/54/33/60/368543360.db2.gz AJCIMOOINDLSME-UHFFFAOYSA-N 2 0 283.419 3.396 50 0 CGAARP c1ccc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000067489692 369717364 /nfs/dbraw/zinc/71/73/64/369717364.db2.gz BUSPMALNNPHGDE-LJQANCHMSA-N 2 0 280.415 3.415 50 0 CGAARP CCCOc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020546979 171244321 /nfs/dbraw/zinc/24/43/21/171244321.db2.gz UYKWWHMKKULSIL-UHFFFAOYSA-N 2 0 290.451 3.441 50 0 CGAARP Cc1ccc2ncccc2c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000072151493 281171361 /nfs/dbraw/zinc/17/13/61/281171361.db2.gz OPSWTJQFLGBYQV-MRXNPFEDSA-N 2 0 297.446 3.459 50 0 CGAARP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000783530917 628722811 /nfs/dbraw/zinc/72/28/11/628722811.db2.gz DFQXMQRRYPKUEP-QGZVFWFLSA-N 2 0 290.476 3.268 50 0 CGAARP C[NH+]1CCC2(CCN(c3cc[nH+]c4ccccc43)C2)CC1 ZINC001506398442 937989618 /nfs/dbraw/zinc/98/96/18/937989618.db2.gz MZXVSISOLUTZNR-UHFFFAOYSA-N 2 0 281.403 3.157 50 0 CGAARP COCC[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000090775244 180038427 /nfs/dbraw/zinc/03/84/27/180038427.db2.gz NHWCSQUNEOSQHL-KLAILNCOSA-N 2 0 282.472 3.044 50 0 CGAARP Cc1cccc2c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c[nH]c21 ZINC000067724884 369726154 /nfs/dbraw/zinc/72/61/54/369726154.db2.gz GGVJASVFCOTOOH-UHFFFAOYSA-N 2 0 283.419 3.052 50 0 CGAARP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000097038874 370215977 /nfs/dbraw/zinc/21/59/77/370215977.db2.gz BNCJLFGHSWYYNH-HNNXBMFYSA-N 2 0 289.467 3.199 50 0 CGAARP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000575547348 377917666 /nfs/dbraw/zinc/91/76/66/377917666.db2.gz ZWTGYEMGTMPFSS-KRWDZBQOSA-N 2 0 296.418 3.301 50 0 CGAARP C[N@@H+](Cc1cccc2ccccc21)CC1CC[NH2+]CC1 ZINC000094010625 184749900 /nfs/dbraw/zinc/74/99/00/184749900.db2.gz BEFVMXZVIZIXMR-UHFFFAOYSA-N 2 0 268.404 3.271 50 0 CGAARP CCN(Cc1cc(F)cc(Cl)c1)C[C@H]1CC[N@H+](C)C1 ZINC000215493872 392987658 /nfs/dbraw/zinc/98/76/58/392987658.db2.gz BKEGSAULXBIHSB-LBPRGKRZSA-N 2 0 284.806 3.253 50 0 CGAARP Cc1ccc2[nH]c3c(c2c1)C[C@H]([N@H+]1C[C@H](C[NH3+])C[C@@H]1C)CC3 ZINC000097165823 281032283 /nfs/dbraw/zinc/03/22/83/281032283.db2.gz PTLMZEYXCKHWKI-SOUVJXGZSA-N 2 0 297.446 3.003 50 0 CGAARP CC(C)[NH+]1CCC([NH2+]CC(C)(C)CC2CCOCC2)CC1 ZINC000096479396 528999540 /nfs/dbraw/zinc/99/95/40/528999540.db2.gz NDEPUSNSHVKFOU-UHFFFAOYSA-N 2 0 296.499 3.292 50 0 CGAARP C[NH+]1CCC(OCCC[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000823764831 800468695 /nfs/dbraw/zinc/46/86/95/800468695.db2.gz JVHRPRWIOWWIDT-HNNXBMFYSA-N 2 0 282.472 3.046 50 0 CGAARP COc1ccc(Cl)cc1C[NH2+][C@H](C)CCC[NH+](C)C ZINC000096009177 185064007 /nfs/dbraw/zinc/06/40/07/185064007.db2.gz IQSJBXYWGIJLDX-GFCCVEGCSA-N 2 0 284.831 3.169 50 0 CGAARP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097371154 345907504 /nfs/dbraw/zinc/90/75/04/345907504.db2.gz IQFMRHVWZIBDBH-RRFJBIMHSA-N 2 0 282.497 3.125 50 0 CGAARP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195558854 346273847 /nfs/dbraw/zinc/27/38/47/346273847.db2.gz IQFMRHVWZIBDBH-ZNMIVQPWSA-N 2 0 282.497 3.125 50 0 CGAARP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000019912855 368781518 /nfs/dbraw/zinc/78/15/18/368781518.db2.gz YSMLZZYPBHOMBN-HNNXBMFYSA-N 2 0 276.424 3.049 50 0 CGAARP C[C@H](C1CC[NH+](C[C@@H]2CC23CCC3)CC1)[NH+]1CCCC1 ZINC000032587290 368937695 /nfs/dbraw/zinc/93/76/95/368937695.db2.gz AYQMOFYUFAWQFU-WBVHZDCISA-N 2 0 276.468 3.373 50 0 CGAARP Cc1cc(N2CCC[N@H+](C/C=C/c3ccco3)CC2)cc[nH+]1 ZINC000065470612 369676764 /nfs/dbraw/zinc/67/67/64/369676764.db2.gz SDDJQJJASMDNAO-GORDUTHDSA-N 2 0 297.402 3.209 50 0 CGAARP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000067674512 369723852 /nfs/dbraw/zinc/72/38/52/369723852.db2.gz HYCITFGOMOSIFC-SFHVURJKSA-N 2 0 272.436 3.187 50 0 CGAARP [NH3+]CCc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000072429376 369819247 /nfs/dbraw/zinc/81/92/47/369819247.db2.gz WKHJUFWJOKHHFX-KRWDZBQOSA-N 2 0 298.405 3.316 50 0 CGAARP Cc1ccccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000097230559 370234892 /nfs/dbraw/zinc/23/48/92/370234892.db2.gz ROPQOVKPKNOTHF-UHFFFAOYSA-N 2 0 258.409 3.055 50 0 CGAARP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000095420214 370188942 /nfs/dbraw/zinc/18/89/42/370188942.db2.gz LFBQTRYLMBTDFV-LSDHHAIUSA-N 2 0 250.430 3.195 50 0 CGAARP CC(C)[N@@H+]1CC[C@@H](C[NH+](C)CCSc2ccccc2)C1 ZINC000299794149 373613253 /nfs/dbraw/zinc/61/32/53/373613253.db2.gz IZRPOXGMGSUIKF-INIZCTEOSA-N 2 0 292.492 3.441 50 0 CGAARP C[N@@H+]1CC[C@@](C)(C[NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000952983715 616347231 /nfs/dbraw/zinc/34/72/31/616347231.db2.gz QKSHVURROZPGAP-IBGZPJMESA-N 2 0 295.430 3.180 50 0 CGAARP COCCC[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C(C)C)CC1 ZINC000952869754 800686094 /nfs/dbraw/zinc/68/60/94/800686094.db2.gz NZXOYHYYMZHZFN-SFHVURJKSA-N 2 0 296.499 3.388 50 0 CGAARP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000095967691 185047031 /nfs/dbraw/zinc/04/70/31/185047031.db2.gz WKIBZBBNHMYMFO-AWEZNQCLSA-N 2 0 278.415 3.078 50 0 CGAARP c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000604399761 348118996 /nfs/dbraw/zinc/11/89/96/348118996.db2.gz XYIRDIWHEQVFMV-DLBZAZTESA-N 2 0 258.409 3.041 50 0 biogenic CGAARP Cc1ccc2[nH+]c(C)cc(NCCC[NH+](C)C)c2c1 ZINC000001771940 368437971 /nfs/dbraw/zinc/43/79/71/368437971.db2.gz JMTDQPMQYUQHCG-UHFFFAOYSA-N 2 0 257.381 3.215 50 0 CGAARP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000065371377 369669420 /nfs/dbraw/zinc/66/94/20/369669420.db2.gz JWSHXTWBXWHCKH-LBPRGKRZSA-N 2 0 286.341 3.266 50 0 CGAARP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000065375759 369670629 /nfs/dbraw/zinc/67/06/29/369670629.db2.gz BPQQCPKAIZBHNI-KRWDZBQOSA-N 2 0 272.436 3.431 50 0 CGAARP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC23CC[NH2+]CC3)cc1 ZINC000498051090 375619363 /nfs/dbraw/zinc/61/93/63/375619363.db2.gz OUWQGAUCPPZFFD-RHSMWYFYSA-N 2 0 288.435 3.268 50 0 CGAARP Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000221828556 376222111 /nfs/dbraw/zinc/22/21/11/376222111.db2.gz DTADJRWVIXJONH-CVEARBPZSA-N 2 0 273.424 3.031 50 0 CGAARP CC[N@H+](C)C[C@H]1CC[NH+](CCSC2CCCCC2)C1 ZINC000240540904 279039799 /nfs/dbraw/zinc/03/97/99/279039799.db2.gz GQDCJAMDGIUEGF-OAHLLOKOSA-N 2 0 284.513 3.326 50 0 CGAARP C[NH+]1CCC(OCCC[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000823764832 800468746 /nfs/dbraw/zinc/46/87/46/800468746.db2.gz JVHRPRWIOWWIDT-OAHLLOKOSA-N 2 0 282.472 3.046 50 0 CGAARP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000096006944 185062722 /nfs/dbraw/zinc/06/27/22/185062722.db2.gz JHXWGXHZYNBMLP-ROUUACIJSA-N 2 0 296.499 3.433 50 0 CGAARP CSCC[N@H+](C)Cc1ccc([C@H](C)[NH+](C)C)cc1 ZINC000216053020 376156274 /nfs/dbraw/zinc/15/62/74/376156274.db2.gz PODDCYPUTSELLS-ZDUSSCGKSA-N 2 0 266.454 3.104 50 0 CGAARP C[C@H](C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1)[NH+](C)C ZINC000077406860 177264116 /nfs/dbraw/zinc/26/41/16/177264116.db2.gz GEABCADQSFRUQW-OAHLLOKOSA-N 2 0 299.462 3.340 50 0 CGAARP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000078552936 177353410 /nfs/dbraw/zinc/35/34/10/177353410.db2.gz BVFHZLIBEYYLBI-UHFFFAOYSA-N 2 0 284.403 3.134 50 0 CGAARP CSC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000126374383 346023654 /nfs/dbraw/zinc/02/36/54/346023654.db2.gz UZGMMEJWJSNJLQ-MRXNPFEDSA-N 2 0 278.465 3.022 50 0 CGAARP [NH3+]CCNc1cc(-c2ccccc2)[nH+]c2ccccc12 ZINC000004336321 368543782 /nfs/dbraw/zinc/54/37/82/368543782.db2.gz KOCSGSGGWZZVMG-UHFFFAOYSA-N 2 0 263.344 3.272 50 0 CGAARP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc2ccccc21 ZINC000019958400 368789584 /nfs/dbraw/zinc/78/95/84/368789584.db2.gz QTSFXGWOUFJWIE-AWEZNQCLSA-N 2 0 256.393 3.442 50 0 CGAARP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1CCCC1 ZINC000061556976 369600636 /nfs/dbraw/zinc/60/06/36/369600636.db2.gz ROYOWYIWQLUAII-UHFFFAOYSA-N 2 0 258.409 3.315 50 0 CGAARP CC(C)Oc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067855055 369733495 /nfs/dbraw/zinc/73/34/95/369733495.db2.gz UJGDEHCFVTXELU-UHFFFAOYSA-N 2 0 288.435 3.049 50 0 CGAARP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c2ccccc12 ZINC000097229203 370235712 /nfs/dbraw/zinc/23/57/12/370235712.db2.gz YLUQFQCACIJUHN-HIFRSBDPSA-N 2 0 284.403 3.160 50 0 CGAARP C[C@@H]1CC[C@H]([N@H+](CCC[NH3+])Cc2ccco2)C[C@H]1C ZINC000239415307 376773632 /nfs/dbraw/zinc/77/36/32/376773632.db2.gz UDTRLIVLFCHUOX-KFWWJZLASA-N 2 0 264.413 3.255 50 0 CGAARP C[C@@H]1[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000241447035 376778846 /nfs/dbraw/zinc/77/88/46/376778846.db2.gz NQRKRMQCMMKSOK-OSGQAZFXSA-N 2 0 284.447 3.253 50 0 CGAARP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC)cc1 ZINC000251032628 377572317 /nfs/dbraw/zinc/57/23/17/377572317.db2.gz APUITFHRYSJQFN-RYRKJORJSA-N 2 0 288.435 3.363 50 0 CGAARP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000097657327 534790672 /nfs/dbraw/zinc/79/06/72/534790672.db2.gz UHUAGSZYCLPUJP-QGZVFWFLSA-N 2 0 280.415 3.443 50 0 CGAARP c1ccn(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001529174904 938071325 /nfs/dbraw/zinc/07/13/25/938071325.db2.gz YDUUBILOXIZWTJ-SFHVURJKSA-N 2 0 289.467 3.076 50 0 CGAARP C[NH+](C)/C=C\c1ccnc(-c2cc(/C=C\[NH+](C)C)ccn2)c1 ZINC000100256008 230391815 /nfs/dbraw/zinc/39/18/15/230391815.db2.gz PMOOYDXWOVKBRY-OXAWKVHCSA-N 2 0 294.402 3.208 50 0 CGAARP c1ccc(C[NH+]2CCC([C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000003735129 344859610 /nfs/dbraw/zinc/85/96/10/344859610.db2.gz IVCGEPPJIMOQCD-SFHVURJKSA-N 2 0 272.436 3.431 50 0 CGAARP C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000000217654 368319244 /nfs/dbraw/zinc/31/92/44/368319244.db2.gz ZDIFTFWJHWYIBN-HOCLYGCPSA-N 2 0 250.430 3.125 50 0 CGAARP CCCC(CCC)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019112 369142082 /nfs/dbraw/zinc/14/20/82/369142082.db2.gz HAAOQISWKJIHJA-VHRNVKJDSA-N 2 0 252.446 3.418 50 0 CGAARP Clc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197458 369643838 /nfs/dbraw/zinc/64/38/38/369643838.db2.gz VSFOSUGCBDXZCZ-MRXNPFEDSA-N 2 0 278.827 3.304 50 0 CGAARP C[C@@H](C1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1)[NH+]1CCCC1 ZINC000032541254 391968651 /nfs/dbraw/zinc/96/86/51/391968651.db2.gz ULCJTPCGKIPWRJ-NBMJBFSESA-N 2 0 288.479 3.395 50 0 CGAARP CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000000757571 528986864 /nfs/dbraw/zinc/98/68/64/528986864.db2.gz GAGANIRCYYUBLS-UHFFFAOYSA-N 2 0 297.240 3.023 50 0 CGAARP Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCC[NH+](C)C)o1 ZINC000002928670 618659622 /nfs/dbraw/zinc/65/96/22/618659622.db2.gz NZZQGZWZYMCRDL-CYBMUJFWSA-N 2 0 266.429 3.186 50 0 CGAARP COc1ccc(Cl)cc1C[NH2+][C@@H](C)CCC[NH+](C)C ZINC000096009176 185063994 /nfs/dbraw/zinc/06/39/94/185063994.db2.gz IQSJBXYWGIJLDX-LBPRGKRZSA-N 2 0 284.831 3.169 50 0 CGAARP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000194883502 189669528 /nfs/dbraw/zinc/66/95/28/189669528.db2.gz ATRGHZLYHPNBGO-CQSZACIVSA-N 2 0 276.424 3.165 50 0 CGAARP C(CN1CC[NH2+]CC1)[NH2+]C1CCCCCCCCCCC1 ZINC000019950310 368789039 /nfs/dbraw/zinc/78/90/39/368789039.db2.gz LWBFQYZDAHHQOY-UHFFFAOYSA-N 2 0 295.515 3.155 50 0 CGAARP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000097047689 370218560 /nfs/dbraw/zinc/21/85/60/370218560.db2.gz CHILMVDCSKVBOM-JQWIXIFHSA-N 2 0 286.391 3.170 50 0 CGAARP C[NH+](C)Cc1csc(C[N@H+](C)C2CCSCC2)c1 ZINC000097179445 370232681 /nfs/dbraw/zinc/23/26/81/370232681.db2.gz ADAPLNZFTYDYCH-UHFFFAOYSA-N 2 0 284.494 3.137 50 0 CGAARP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC2(C)C)C[C@@H](C)O1 ZINC000095967502 370203129 /nfs/dbraw/zinc/20/31/29/370203129.db2.gz XALMIQUSRCSBKI-BZUAXINKSA-N 2 0 282.472 3.044 50 0 CGAARP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC)cc1 ZINC000251032627 377572375 /nfs/dbraw/zinc/57/23/75/377572375.db2.gz APUITFHRYSJQFN-BQFCYCMXSA-N 2 0 288.435 3.363 50 0 CGAARP CC1(C)CC(NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000000139648 391906240 /nfs/dbraw/zinc/90/62/40/391906240.db2.gz IOCLFIGHHOKNTE-UHFFFAOYSA-N 2 0 295.515 3.194 50 0 CGAARP CCC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000000280261 327636826 /nfs/dbraw/zinc/63/68/26/327636826.db2.gz VZKSHUBPIHDLTO-UHFFFAOYSA-N 2 0 280.843 3.347 50 0 CGAARP CCc1ccc(CN(C)CCC[NH+]2CCCCCC2)nc1 ZINC001506396169 937989463 /nfs/dbraw/zinc/98/94/63/937989463.db2.gz AVDNWDTYKAMFIR-UHFFFAOYSA-N 2 0 289.467 3.342 50 0 CGAARP Fc1ccc2c(c1)c1c(n2-c2cc[nH+]cc2)CCC[NH2+]C1 ZINC000075567484 283007953 /nfs/dbraw/zinc/00/79/53/283007953.db2.gz FQNDQPYYKQYNCA-UHFFFAOYSA-N 2 0 281.334 3.200 50 0 CGAARP C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000000217646 368319340 /nfs/dbraw/zinc/31/93/40/368319340.db2.gz ZDIFTFWJHWYIBN-GOEBONIOSA-N 2 0 250.430 3.125 50 0 CGAARP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000097047690 370218745 /nfs/dbraw/zinc/21/87/45/370218745.db2.gz CHILMVDCSKVBOM-PWSUYJOCSA-N 2 0 286.391 3.170 50 0 CGAARP c1ccc2c(NC[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000041720761 344973123 /nfs/dbraw/zinc/97/31/23/344973123.db2.gz GPLCQBIQPIYEGI-CYBMUJFWSA-N 2 0 267.376 3.131 50 0 CGAARP c1ccc(CC[NH2+][C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000089832405 370047117 /nfs/dbraw/zinc/04/71/17/370047117.db2.gz QTOMFSKBKXVIJQ-FQEVSTJZSA-N 2 0 294.442 3.136 50 0 CGAARP CCCC[C@H]1C=CC[N@@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000215155220 376146061 /nfs/dbraw/zinc/14/60/61/376146061.db2.gz PBXYQHAZPOXPKP-KRWDZBQOSA-N 2 0 258.409 3.118 50 0 CGAARP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000575547349 377918101 /nfs/dbraw/zinc/91/81/01/377918101.db2.gz ZWTGYEMGTMPFSS-QGZVFWFLSA-N 2 0 296.418 3.301 50 0 CGAARP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C)o2)c1 ZINC000078552926 177353481 /nfs/dbraw/zinc/35/34/81/177353481.db2.gz RREMRLWXPGNNCE-UHFFFAOYSA-N 2 0 272.392 3.330 50 0 CGAARP CC1CC[NH+](C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000004723256 276195193 /nfs/dbraw/zinc/19/51/93/276195193.db2.gz OHRRZJJZPNIECZ-UHFFFAOYSA-N 2 0 250.430 3.125 50 0 CGAARP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000097657328 534792219 /nfs/dbraw/zinc/79/22/19/534792219.db2.gz UHUAGSZYCLPUJP-KRWDZBQOSA-N 2 0 280.415 3.443 50 0 CGAARP COCC[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000090775243 180038889 /nfs/dbraw/zinc/03/88/89/180038889.db2.gz NHWCSQUNEOSQHL-GTPINHCMSA-N 2 0 282.472 3.044 50 0 CGAARP Cc1c2ccccc2oc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000097823157 370254673 /nfs/dbraw/zinc/25/46/73/370254673.db2.gz FLPFYERHMHLEID-UHFFFAOYSA-N 2 0 284.403 3.317 50 0 CGAARP C[N@@H+](Cc1ccsc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072145178 176324952 /nfs/dbraw/zinc/32/49/52/176324952.db2.gz JQCNIPUJHOAWDF-JKSUJKDBSA-N 2 0 278.465 3.444 50 0 CGAARP CCc1nccn1C[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000584885348 346721527 /nfs/dbraw/zinc/72/15/27/346721527.db2.gz WJQCIPUBURCWBA-CQSZACIVSA-N 2 0 269.392 3.113 50 0 CGAARP Cc1ncsc1C[NH2+][C@H](C)c1ccc(C[NH+](C)C)cc1 ZINC000585134992 346724723 /nfs/dbraw/zinc/72/47/23/346724723.db2.gz SMXDQSJWNQXOKB-GFCCVEGCSA-N 2 0 289.448 3.364 50 0 CGAARP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000122052210 187012563 /nfs/dbraw/zinc/01/25/63/187012563.db2.gz MHGJGDFHKDUVLK-DXJOGWAWSA-N 2 0 290.426 3.362 50 0 CGAARP Cc1c2cc(C)ccc2oc1C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426379655 372156296 /nfs/dbraw/zinc/15/62/96/372156296.db2.gz HHLVSEUWQVATQD-WNKDZCFJSA-N 2 0 296.414 3.232 50 0 CGAARP CCC[C@@H](C)[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000192850467 375793880 /nfs/dbraw/zinc/79/38/80/375793880.db2.gz RTGXLNOPCGDEMK-UKRRQHHQSA-N 2 0 295.496 3.394 50 0 CGAARP Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000221828609 376221327 /nfs/dbraw/zinc/22/13/27/376221327.db2.gz DTADJRWVIXJONH-HZPDHXFCSA-N 2 0 273.424 3.031 50 0 CGAARP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCF ZINC000248865959 377415711 /nfs/dbraw/zinc/41/57/11/377415711.db2.gz AXQQFKGITZRPCL-QLPKVWCKSA-N 2 0 278.415 3.092 50 0 CGAARP Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)o1 ZINC000072143802 176324373 /nfs/dbraw/zinc/32/43/73/176324373.db2.gz NCFVFHWRZFVKKY-UHFFFAOYSA-N 2 0 285.391 3.004 50 0 CGAARP Cc1ccc2ncccc2c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000072151492 176327519 /nfs/dbraw/zinc/32/75/19/176327519.db2.gz OPSWTJQFLGBYQV-INIZCTEOSA-N 2 0 297.446 3.459 50 0 CGAARP C[C@@H](c1ccc(-c2ccnc(N)c2)cc1)[NH+]1CCCC1 ZINC000216460575 570305553 /nfs/dbraw/zinc/30/55/53/570305553.db2.gz ODJWYOMDVPBVAV-ZDUSSCGKSA-N 2 0 267.376 3.488 50 0 CGAARP COc1ccc(C[N@H+](C)C[C@@H](C)C[NH+]2CCCC2)c(C)c1 ZINC000952973652 636775923 /nfs/dbraw/zinc/77/59/23/636775923.db2.gz YHPWQELKARVCAC-OAHLLOKOSA-N 2 0 290.451 3.167 50 0 CGAARP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000095968174 185046853 /nfs/dbraw/zinc/04/68/53/185046853.db2.gz WIJNGVVFZOTGBQ-SJORKVTESA-N 2 0 294.483 3.212 50 0 CGAARP CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000000277414 368330370 /nfs/dbraw/zinc/33/03/70/368330370.db2.gz MGCMXHBWRAHSEB-UHFFFAOYSA-N 2 0 297.240 3.023 50 0 CGAARP COc1ccccc1CCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000065509183 369681220 /nfs/dbraw/zinc/68/12/20/369681220.db2.gz YVUIRVUAVURBQL-UHFFFAOYSA-N 2 0 290.451 3.090 50 0 CGAARP c1cc(C[NH+]2CCCCC2)ccc1CC1CC[NH2+]CC1 ZINC000169676877 372631296 /nfs/dbraw/zinc/63/12/96/372631296.db2.gz GQDMMELQMJNTAC-UHFFFAOYSA-N 2 0 272.436 3.215 50 0 CGAARP CC(C)c1ccc(CC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000097165819 392262361 /nfs/dbraw/zinc/26/23/61/392262361.db2.gz RWNYUDJENYOZHB-YOEHRIQHSA-N 2 0 260.425 3.164 50 0 CGAARP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000130176100 392453864 /nfs/dbraw/zinc/45/38/64/392453864.db2.gz APUITFHRYSJQFN-JZXOWHBKSA-N 2 0 288.435 3.363 50 0 CGAARP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000006667610 170223927 /nfs/dbraw/zinc/22/39/27/170223927.db2.gz GYGOVHYTHYZJDK-HNNXBMFYSA-N 2 0 292.467 3.194 50 0 CGAARP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097371156 345907855 /nfs/dbraw/zinc/90/78/55/345907855.db2.gz IQFMRHVWZIBDBH-SOUVJXGZSA-N 2 0 282.497 3.125 50 0 CGAARP CC(C)n1cc([C@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000090707632 180027959 /nfs/dbraw/zinc/02/79/59/180027959.db2.gz QBSCVDXYICVXNV-UQPPLGOBSA-N 2 0 292.471 3.235 50 0 CGAARP C[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198197 369643403 /nfs/dbraw/zinc/64/34/03/369643403.db2.gz MTFKEKLLUDEMPN-YOEHRIQHSA-N 2 0 258.409 3.212 50 0 CGAARP CCc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000065461918 369677069 /nfs/dbraw/zinc/67/70/69/369677069.db2.gz ZPHVVZNZZDWLPT-OAHLLOKOSA-N 2 0 260.425 3.023 50 0 CGAARP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067805192 369730294 /nfs/dbraw/zinc/73/02/94/369730294.db2.gz AKEWKRCHNRULSN-UHFFFAOYSA-N 2 0 283.419 3.052 50 0 CGAARP C[N@H+](CCC1CCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095401444 370182648 /nfs/dbraw/zinc/18/26/48/370182648.db2.gz KGYLRXOZJSXTCD-UHFFFAOYSA-N 2 0 294.483 3.142 50 0 CGAARP c1ccc([C@@H]2[N@H+](C3CC[NH2+]CC3)CC23CCCC3)cc1 ZINC000169676558 372630135 /nfs/dbraw/zinc/63/01/35/372630135.db2.gz TVAFVKHEDLYFOS-KRWDZBQOSA-N 2 0 270.420 3.356 50 0 CGAARP C[C@H]1C[C@@H]([N@H+](C)CCc2ccc(F)cc2Cl)CCN1C ZINC000252548721 377637700 /nfs/dbraw/zinc/63/77/00/377637700.db2.gz QHNBXKJCOJBFDQ-WFASDCNBSA-N 2 0 298.833 3.436 50 0 CGAARP CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000072140063 392195622 /nfs/dbraw/zinc/19/56/22/392195622.db2.gz FZKJWRDENQDZAH-SFHVURJKSA-N 2 0 272.436 3.386 50 0 CGAARP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000097165817 392262148 /nfs/dbraw/zinc/26/21/48/392262148.db2.gz RWNYUDJENYOZHB-WMLDXEAASA-N 2 0 260.425 3.164 50 0 CGAARP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000007002579 170261345 /nfs/dbraw/zinc/26/13/45/170261345.db2.gz YONAELDLEWCCKF-ZDUSSCGKSA-N 2 0 252.402 3.188 50 0 CGAARP CCC[NH+]1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000000757640 528202506 /nfs/dbraw/zinc/20/25/06/528202506.db2.gz HJXOXRYWXAMVCX-UHFFFAOYSA-N 2 0 280.843 3.347 50 0 CGAARP Fc1c(Cl)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000135403626 637129498 /nfs/dbraw/zinc/12/94/98/637129498.db2.gz POUWNIFZNIBUJU-OAHLLOKOSA-N 2 0 296.817 3.443 50 0 CGAARP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000067755873 369727460 /nfs/dbraw/zinc/72/74/60/369727460.db2.gz DEEWKVNZTUDXLR-LLVKDONJSA-N 2 0 270.779 3.040 50 0 CGAARP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000070074740 369779611 /nfs/dbraw/zinc/77/96/11/369779611.db2.gz GMUJXPCPLFGMDM-QWHCGFSZSA-N 2 0 274.433 3.461 50 0 CGAARP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000130175673 371016521 /nfs/dbraw/zinc/01/65/21/371016521.db2.gz APUITFHRYSJQFN-NUJGCVRESA-N 2 0 288.435 3.363 50 0 CGAARP CC[N@H+](C)C[C@@H]1CC[NH+](CCSC2CCCCC2)C1 ZINC000240540903 376776691 /nfs/dbraw/zinc/77/66/91/376776691.db2.gz GQDCJAMDGIUEGF-HNNXBMFYSA-N 2 0 284.513 3.326 50 0 CGAARP CC(C)c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067934244 392161059 /nfs/dbraw/zinc/16/10/59/392161059.db2.gz KZAMTTXHMHYGJL-UHFFFAOYSA-N 2 0 272.436 3.386 50 0 CGAARP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000078552930 177353513 /nfs/dbraw/zinc/35/35/13/177353513.db2.gz XQCBXKPGNLOWCJ-UHFFFAOYSA-N 2 0 274.433 3.490 50 0 CGAARP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000072162855 275392104 /nfs/dbraw/zinc/39/21/04/275392104.db2.gz WUZDDAOJZUSTTO-MRXNPFEDSA-N 2 0 250.430 3.032 50 0 CGAARP C[NH+]1CCC(CC[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000888098320 619260054 /nfs/dbraw/zinc/26/00/54/619260054.db2.gz GPVSVAMQGFJOAO-GOSISDBHSA-N 2 0 287.451 3.244 50 0 CGAARP Clc1ccc(CSCCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000952984536 636776308 /nfs/dbraw/zinc/77/63/08/636776308.db2.gz XPAGGNDEARLZHM-UHFFFAOYSA-N 2 0 298.883 3.305 50 0 CGAARP