smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000581806841 1083036423 /nfs/dbraw/zinc/03/64/23/1083036423.db2.gz AQEZJHXWCFDNLO-OAHLLOKOSA-N 1 0 322.412 3.459 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000581807120 1083036865 /nfs/dbraw/zinc/03/68/65/1083036865.db2.gz CSXKWKDXONYCIY-SFHVURJKSA-N 1 0 323.440 3.475 50 0 DGAARO Cn1nc([C@H]2CCC[N@@H+]2CC2CCCCC2)c2c1CCOC2 ZINC000675010731 1083443283 /nfs/dbraw/zinc/44/32/83/1083443283.db2.gz JALCHLVJRLMHFG-QGZVFWFLSA-N 1 0 303.450 3.210 50 0 DGAARO Cc1ccc(C(=O)N2CCC[C@@H](n3c(C)c[nH+]c3C)C2)s1 ZINC000575544752 1086957393 /nfs/dbraw/zinc/95/73/93/1086957393.db2.gz AWJAPLXBJRFCQH-CQSZACIVSA-N 1 0 303.431 3.347 50 0 DGAARO c1cnn(C[C@H]([NH2+]C2CSCCSC2)c2ccccc2)c1 ZINC000820424926 1091625811 /nfs/dbraw/zinc/62/58/11/1091625811.db2.gz RRKUDYIBNWTNBT-INIZCTEOSA-N 1 0 319.499 3.063 50 0 DGAARO CCn1c(C)cc2cc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000823582629 1091693313 /nfs/dbraw/zinc/69/33/13/1091693313.db2.gz TUFRSUZCSJYXLX-INIZCTEOSA-N 1 0 311.429 3.298 50 0 DGAARO CCc1nc(C)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000823549997 1091693512 /nfs/dbraw/zinc/69/35/12/1091693512.db2.gz FVWRANQFANWZET-UHFFFAOYSA-N 1 0 313.401 3.394 50 0 DGAARO CCc1nccc(CN(C)Cc2cc(Cl)ccc2OC)n1 ZINC000823556154 1091694794 /nfs/dbraw/zinc/69/47/94/1091694794.db2.gz WBAUQAZKCBQXLQ-UHFFFAOYSA-N 1 0 305.809 3.333 50 0 DGAARO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1nccs1 ZINC000823717515 1091698907 /nfs/dbraw/zinc/69/89/07/1091698907.db2.gz FTEMESKOZZINER-UHFFFAOYSA-N 1 0 307.488 3.432 50 0 DGAARO COc1ccccc1-n1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cn1 ZINC000824835159 1091726754 /nfs/dbraw/zinc/72/67/54/1091726754.db2.gz MVTNTPAJCFNLPC-CALCHBBNSA-N 1 0 309.413 3.279 50 0 DGAARO CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000825521367 1091742032 /nfs/dbraw/zinc/74/20/32/1091742032.db2.gz JYKXXWDWBJLTFE-OAHLLOKOSA-N 1 0 309.841 3.219 50 0 DGAARO O=C(NCc1ccc(Cl)cc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000825545620 1091743574 /nfs/dbraw/zinc/74/35/74/1091743574.db2.gz SGBCSAMQXAKCKX-UHFFFAOYSA-N 1 0 321.852 3.110 50 0 DGAARO Cc1nccn1C[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000826588605 1091755561 /nfs/dbraw/zinc/75/55/61/1091755561.db2.gz GPORCUCGCGFBNQ-CQSZACIVSA-N 1 0 317.408 3.263 50 0 DGAARO CC(C)(C)c1cc(-c2cccc(F)c2)nc(N2CC[C@@H]([NH3+])C2)n1 ZINC000826956412 1091760548 /nfs/dbraw/zinc/76/05/48/1091760548.db2.gz BXMOBZYQMUNWGT-CQSZACIVSA-N 1 0 314.408 3.118 50 0 DGAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000575547756 1092046916 /nfs/dbraw/zinc/04/69/16/1092046916.db2.gz VSAZJNRROGRLTA-KRWDZBQOSA-N 1 0 322.412 3.459 50 0 DGAARO CC(C)[N@@H+]1CC2(CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000581803184 1092278291 /nfs/dbraw/zinc/27/82/91/1092278291.db2.gz SLCWLVSYHVIXIU-SFHVURJKSA-N 1 0 312.457 3.471 50 0 DGAARO Cc1ccc(C[NH+]2CC(Cn3c(C)cnc3-c3cccnc3)C2)o1 ZINC000581808413 1092280884 /nfs/dbraw/zinc/28/08/84/1092280884.db2.gz QVPVKHGWMBNMCY-UHFFFAOYSA-N 1 0 322.412 3.287 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000581807118 1092282048 /nfs/dbraw/zinc/28/20/48/1092282048.db2.gz CSXKWKDXONYCIY-GOSISDBHSA-N 1 0 323.440 3.475 50 0 DGAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCc2cccnc2)C1 ZINC000585116932 1095009261 /nfs/dbraw/zinc/00/92/61/1095009261.db2.gz MNDUWOMGDQLTLI-WMZOPIPTSA-N 1 0 317.477 3.031 50 0 DGAARO COc1cnc(F)c(CN[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000585117687 1095015538 /nfs/dbraw/zinc/01/55/38/1095015538.db2.gz SJHCXAIUUSSYJZ-GUYCJALGSA-N 1 0 317.408 3.010 50 0 DGAARO C[NH+](C)CCCC(C)(C)NC(=O)Cc1cncc2ccccc21 ZINC000585121042 1095019293 /nfs/dbraw/zinc/01/92/93/1095019293.db2.gz DEADLVROLWRZJN-UHFFFAOYSA-N 1 0 313.445 3.014 50 0 DGAARO CC(C)(C[NH2+][C@@H](c1ccco1)c1ccccc1)N1CCOCC1 ZINC000192910676 1096526606 /nfs/dbraw/zinc/52/66/06/1096526606.db2.gz QVGSWCOGXMWZFR-GOSISDBHSA-N 1 0 314.429 3.069 50 0 DGAARO CSCc1ccc(C[C@@H]2CC[C@H](C[NH+]3CCCC3)O2)nc1 ZINC000952854549 1096780494 /nfs/dbraw/zinc/78/04/94/1096780494.db2.gz RSMRVNUOYSODDL-DLBZAZTESA-N 1 0 306.475 3.131 50 0 DGAARO Cc1ccc2cc(C[NH2+]C3CC(O)(C(F)(F)F)C3)ccc2n1 ZINC000952884263 1096787567 /nfs/dbraw/zinc/78/75/67/1096787567.db2.gz WOYBUOALAXFESL-UHFFFAOYSA-N 1 0 310.319 3.089 50 0 DGAARO C=Cc1cccc(C[N@H+](C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000952961408 1096789338 /nfs/dbraw/zinc/78/93/38/1096789338.db2.gz GXOKOXKUEOHKGR-KRWDZBQOSA-N 1 0 300.446 3.408 50 0 DGAARO Cc1cc(N2CCN(c3cccnc3)CC2)c2ccccc2[nH+]1 ZINC000077426943 1105559989 /nfs/dbraw/zinc/55/99/89/1105559989.db2.gz KXBHRMICYYBVPR-UHFFFAOYSA-N 1 0 304.397 3.265 50 0 DGAARO c1csc(C[NH+]2CCC(CNc3nnc(C4CC4)o3)CC2)c1 ZINC000278450494 214161109 /nfs/dbraw/zinc/16/11/09/214161109.db2.gz RPHYXSZOFDLVCG-UHFFFAOYSA-N 1 0 318.446 3.333 50 0 DGAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2nccs2)C1 ZINC000078917049 185129019 /nfs/dbraw/zinc/12/90/19/185129019.db2.gz MNKSANCNHUOPCQ-AWEZNQCLSA-N 1 0 323.506 3.093 50 0 DGAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2ccccn2)C1 ZINC000078916818 185129421 /nfs/dbraw/zinc/12/94/21/185129421.db2.gz JETUIAFHTPIGSK-MRXNPFEDSA-N 1 0 317.477 3.031 50 0 DGAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)nnn3C)cc1 ZINC000079105530 185158944 /nfs/dbraw/zinc/15/89/44/185158944.db2.gz KJUFAVFZTUHBHJ-SFHVURJKSA-N 1 0 322.412 3.314 50 0 DGAARO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000079309168 185164345 /nfs/dbraw/zinc/16/43/45/185164345.db2.gz NFZNMQUIPWBASU-INIZCTEOSA-N 1 0 311.429 3.034 50 0 DGAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000089948963 185270729 /nfs/dbraw/zinc/27/07/29/185270729.db2.gz VZBIYSRSXNVHFT-BXUZGUMPSA-N 1 0 310.825 3.060 50 0 DGAARO COc1ccc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(F)c1 ZINC000090221499 185287030 /nfs/dbraw/zinc/28/70/30/185287030.db2.gz OTXDVGSSXAENNP-AMXDTQDGSA-N 1 0 321.417 3.423 50 0 DGAARO Cn1ccnc1[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000082086781 192354373 /nfs/dbraw/zinc/35/43/73/192354373.db2.gz YALTUKOCOLSOTQ-HNNXBMFYSA-N 1 0 317.408 3.208 50 0 DGAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)CCC2 ZINC000090534090 185301284 /nfs/dbraw/zinc/30/12/84/185301284.db2.gz XHLYUMYGRUSXFL-GXFFZTMASA-N 1 0 304.463 3.335 50 0 DGAARO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000090542654 185302151 /nfs/dbraw/zinc/30/21/51/185302151.db2.gz NIFDFUUUBICVFU-YXJHDRRASA-N 1 0 321.486 3.271 50 0 DGAARO C[NH+](C)[C@H]1CCCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000082106420 192356718 /nfs/dbraw/zinc/35/67/18/192356718.db2.gz QNFAMSBHZNISFH-HNNXBMFYSA-N 1 0 318.465 3.014 50 0 DGAARO Cc1cc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000092821443 185343929 /nfs/dbraw/zinc/34/39/29/185343929.db2.gz KHARHGKUSHEWIO-UHFFFAOYSA-N 1 0 314.433 3.117 50 0 DGAARO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(F)(F)F ZINC000092821471 185344030 /nfs/dbraw/zinc/34/40/30/185344030.db2.gz ANLKWQINUMAMQQ-UHFFFAOYSA-N 1 0 301.356 3.182 50 0 DGAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2c2ccccn2)CC1 ZINC000095389581 185351092 /nfs/dbraw/zinc/35/10/92/185351092.db2.gz AZYDTPQFIKOVET-SFHVURJKSA-N 1 0 315.461 3.256 50 0 DGAARO C[C@H](CC[C@H]1CCCO1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000095393609 185352136 /nfs/dbraw/zinc/35/21/36/185352136.db2.gz YPKWTKUVHDVFOP-GDBMZVCRSA-N 1 0 305.418 3.285 50 0 DGAARO CCCCSCCC(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000095399742 185353907 /nfs/dbraw/zinc/35/39/07/185353907.db2.gz JOVIPQKVRVOPHW-UHFFFAOYSA-N 1 0 304.419 3.129 50 0 DGAARO CCn1cc(C(=O)NCC2([NH+](C)C)CCCCC2)c(C(C)C)n1 ZINC000095399998 185354086 /nfs/dbraw/zinc/35/40/86/185354086.db2.gz PBPSPKISHITBCJ-UHFFFAOYSA-N 1 0 320.481 3.021 50 0 DGAARO CCOc1ccccc1CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000095408051 185356501 /nfs/dbraw/zinc/35/65/01/185356501.db2.gz BVBCURZBNLCSLC-IAGOWNOFSA-N 1 0 318.461 3.007 50 0 DGAARO Clc1cnc(OCC[NH2+]C2CCSCC2)c(Cl)c1 ZINC000095416728 185359111 /nfs/dbraw/zinc/35/91/11/185359111.db2.gz BMNHYARKGNDIJD-UHFFFAOYSA-N 1 0 307.246 3.252 50 0 DGAARO COC[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)C1CC1 ZINC000095420595 185360049 /nfs/dbraw/zinc/36/00/49/185360049.db2.gz AQPQFNISEDXAGV-GOSISDBHSA-N 1 0 316.445 3.330 50 0 DGAARO COC[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)C1CC1 ZINC000095420594 185360051 /nfs/dbraw/zinc/36/00/51/185360051.db2.gz AQPQFNISEDXAGV-SFHVURJKSA-N 1 0 316.445 3.330 50 0 DGAARO COc1cccc(N2CCC([NH2+][C@@H](C)CC(C)(C)OC)CC2)c1 ZINC000095421277 185360518 /nfs/dbraw/zinc/36/05/18/185360518.db2.gz LYWMBWQPBYLZGL-HNNXBMFYSA-N 1 0 320.477 3.457 50 0 DGAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCCO[C@H]1CCOC1 ZINC000095423736 185361069 /nfs/dbraw/zinc/36/10/69/185361069.db2.gz RLGZRDYXYHHJKP-DOTOQJQBSA-N 1 0 317.429 3.218 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000095423904 185361245 /nfs/dbraw/zinc/36/12/45/185361245.db2.gz CDYGFJSTHIBSMY-RDJZCZTQSA-N 1 0 316.445 3.118 50 0 DGAARO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CCO1 ZINC000095465775 185371944 /nfs/dbraw/zinc/37/19/44/185371944.db2.gz UMMZLNDEIITCOS-ROUUACIJSA-N 1 0 318.461 3.120 50 0 DGAARO Cc1c(F)cccc1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000095467135 185372036 /nfs/dbraw/zinc/37/20/36/185372036.db2.gz UCFMFMMHAZYJHV-CYBMUJFWSA-N 1 0 307.413 3.328 50 0 DGAARO CC(C)c1ccc(-c2nc(C(=O)N3CC[C@@H]([NH3+])C3)cs2)cc1 ZINC000097019632 185397961 /nfs/dbraw/zinc/39/79/61/185397961.db2.gz VVYROECOZYJWTG-CQSZACIVSA-N 1 0 315.442 3.107 50 0 DGAARO C[N@H+](CCc1ccc(Br)cc1)[C@H]1CCCC[C@@H]1O ZINC000097021895 185398456 /nfs/dbraw/zinc/39/84/56/185398456.db2.gz SXOQMRVJOCWDSH-GJZGRUSLSA-N 1 0 312.251 3.227 50 0 DGAARO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCc2ccccc21 ZINC000057421376 190686849 /nfs/dbraw/zinc/68/68/49/190686849.db2.gz XULYQYLHFKCNJN-LSDHHAIUSA-N 1 0 324.424 3.324 50 0 DGAARO CCc1cnc(C)nc1N1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000065457769 432011930 /nfs/dbraw/zinc/01/19/30/432011930.db2.gz LUJYSLAARICRRL-CQSZACIVSA-N 1 0 302.466 3.048 50 0 DGAARO Cc1nc(-c2cccc(-c3cc(C)cc4c3O[C@@H](C[NH3+])C4)c2)no1 ZINC000067804398 190723382 /nfs/dbraw/zinc/72/33/82/190723382.db2.gz RMOCYMAYPPXXKM-MRXNPFEDSA-N 1 0 321.380 3.283 50 0 DGAARO Cc1nnc([C@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000229562544 201840679 /nfs/dbraw/zinc/84/06/79/201840679.db2.gz NKYGPWKRYICZKR-HOCLYGCPSA-N 1 0 306.454 3.027 50 0 DGAARO CC(C)[C@@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)c2ccccc21 ZINC000279867762 215191483 /nfs/dbraw/zinc/19/14/83/215191483.db2.gz SQAMWJFQYIANEI-LPHOPBHVSA-N 1 0 314.473 3.372 50 0 DGAARO Cc1cc(C(=O)N(C)CC[NH+](C)C)c(C)n1C1CCCCC1 ZINC000080391807 192155257 /nfs/dbraw/zinc/15/52/57/192155257.db2.gz XGDNZNFOYSSSAB-UHFFFAOYSA-N 1 0 305.466 3.244 50 0 DGAARO O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000106832792 432021924 /nfs/dbraw/zinc/02/19/24/432021924.db2.gz VNEOFUMXQMVJTB-QZTJIDSGSA-N 1 0 324.424 3.118 50 0 DGAARO Cc1[nH]cnc1-c1nccn1-c1cccc(C[NH+]2CCCC2)c1 ZINC000071745661 191019833 /nfs/dbraw/zinc/01/98/33/191019833.db2.gz ZAVVGEYKAMKKSE-UHFFFAOYSA-N 1 0 307.401 3.167 50 0 DGAARO CC(C)(CC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000071754720 191024796 /nfs/dbraw/zinc/02/47/96/191024796.db2.gz GOOWXLOWUHBGHG-UHFFFAOYSA-N 1 0 314.473 3.347 50 0 DGAARO Cc1nnc(C[N@@H+]2CCCC[C@@H]2CCc2cccc(O)c2)o1 ZINC000072130817 191044421 /nfs/dbraw/zinc/04/44/21/191044421.db2.gz ZLLFRFAXLAWAME-OAHLLOKOSA-N 1 0 301.390 3.071 50 0 DGAARO CC(C)c1cc(NC[C@H](c2ccco2)[NH+](C)C)n2nccc2n1 ZINC000072156467 191059350 /nfs/dbraw/zinc/05/93/50/191059350.db2.gz XEIOREGPCLNNMB-CQSZACIVSA-N 1 0 313.405 3.161 50 0 DGAARO Cc1cccc(C[N@@H+]2CCCN(Cc3ccccc3F)CC2)n1 ZINC000072154394 191059995 /nfs/dbraw/zinc/05/99/95/191059995.db2.gz DHKMLECPUMXEGL-UHFFFAOYSA-N 1 0 313.420 3.237 50 0 DGAARO CCc1ccc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)nc1 ZINC000072159352 191062400 /nfs/dbraw/zinc/06/24/00/191062400.db2.gz WEDRJDRHVAWNNE-UHFFFAOYSA-N 1 0 321.424 3.130 50 0 DGAARO Cc1cc(C)n(CCC[N@@H+](C)C[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000072164385 191063719 /nfs/dbraw/zinc/06/37/19/191063719.db2.gz GSLMQCOMIBUWEX-RBUKOAKNSA-N 1 0 318.509 3.086 50 0 DGAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CCCn3cncc3C2)c1 ZINC000072173847 191069908 /nfs/dbraw/zinc/06/99/08/191069908.db2.gz PUTOXBQTCDRVIO-UHFFFAOYSA-N 1 0 321.428 3.296 50 0 DGAARO c1cc([C@H]2CCC[N@@H+](CCCc3nc4ccccc4o3)C2)n[nH]1 ZINC000072272647 191096122 /nfs/dbraw/zinc/09/61/22/191096122.db2.gz MHHFXUQUQHYFOX-AWEZNQCLSA-N 1 0 310.401 3.363 50 0 DGAARO CCOc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000164172801 186151399 /nfs/dbraw/zinc/15/13/99/186151399.db2.gz RFUMPOIYHOADHH-OAHLLOKOSA-N 1 0 319.449 3.185 50 0 DGAARO c1[nH]c2ncccc2c1C1CC[NH+](CCc2ccccn2)CC1 ZINC000072296418 191112409 /nfs/dbraw/zinc/11/24/09/191112409.db2.gz JELFVCHCNUOXIZ-UHFFFAOYSA-N 1 0 306.413 3.380 50 0 DGAARO O=C(/C=C/c1ccsc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072297640 191112659 /nfs/dbraw/zinc/11/26/59/191112659.db2.gz WGVKFXLYFVSJQB-APHBUQMISA-N 1 0 304.459 3.096 50 0 DGAARO Cn1nc(-c2cccc3c2O[C@@H](C[NH3+])C3)c2c1cccc2Cl ZINC000067821443 282796240 /nfs/dbraw/zinc/79/62/40/282796240.db2.gz GRRKCNMNDBYVKC-LLVKDONJSA-N 1 0 313.788 3.156 50 0 DGAARO Cc1nc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000072410177 191153759 /nfs/dbraw/zinc/15/37/59/191153759.db2.gz GLFWYJHAGCMFMD-UHFFFAOYSA-N 1 0 313.445 3.327 50 0 DGAARO Cc1[nH]cnc1-c1nccn1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072426894 191162098 /nfs/dbraw/zinc/16/20/98/191162098.db2.gz ZCQCJRRSVSIFLY-KRWDZBQOSA-N 1 0 321.428 3.419 50 0 DGAARO c1ccc(CC[N@@H+]2CCC[C@@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000072457807 191172521 /nfs/dbraw/zinc/17/25/21/191172521.db2.gz MJARCHJGKJTGEY-HXUWFJFHSA-N 1 0 322.456 3.012 50 0 DGAARO c1ccc(C[N@@H+]2CCC[C@@H](Nc3cnc4ccccc4n3)C2)nc1 ZINC000072475392 191177065 /nfs/dbraw/zinc/17/70/65/191177065.db2.gz YKTRKBSMCUJOPQ-MRXNPFEDSA-N 1 0 319.412 3.101 50 0 DGAARO c1csc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000072473857 191178108 /nfs/dbraw/zinc/17/81/08/191178108.db2.gz 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C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccn3)cc2)C1 ZINC000020487705 182223769 /nfs/dbraw/zinc/22/37/69/182223769.db2.gz SIBKPXNZLCCSCP-INIZCTEOSA-N 1 0 323.440 3.244 50 0 DGAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)n1)[NH2+]CC2 ZINC000020494358 182224607 /nfs/dbraw/zinc/22/46/07/182224607.db2.gz LEEUVQZTYQCXTA-IBGZPJMESA-N 1 0 312.413 3.423 50 0 DGAARO COc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1OC ZINC000020500947 182224792 /nfs/dbraw/zinc/22/47/92/182224792.db2.gz OIQGGLZZLZQOQM-LJQANCHMSA-N 1 0 313.397 3.107 50 0 DGAARO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000020515458 182226857 /nfs/dbraw/zinc/22/68/57/182226857.db2.gz SCBXOQATRCRTKE-SFHVURJKSA-N 1 0 304.503 3.478 50 0 DGAARO C[N@H+](C[C@@H]1CCCCN1Cc1ccccc1)C1CCOCC1 ZINC000020598692 182236606 /nfs/dbraw/zinc/23/66/06/182236606.db2.gz QSPMGUMOSSHQEA-IBGZPJMESA-N 1 0 302.462 3.152 50 0 DGAARO CCc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000021670126 182283605 /nfs/dbraw/zinc/28/36/05/182283605.db2.gz QWYWUBQOHSPZBJ-HNNXBMFYSA-N 1 0 302.443 3.343 50 0 DGAARO C[C@H]([NH3+])[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000021948397 182299472 /nfs/dbraw/zinc/29/94/72/182299472.db2.gz KKBVMNKYVQAAIK-SUMWQHHRSA-N 1 0 319.449 3.098 50 0 DGAARO Cc1ccccc1CN1CC[N@@H+](C2CCCCC2)C[C@@H]1CCO ZINC000022852448 182337386 /nfs/dbraw/zinc/33/73/86/182337386.db2.gz NDHCZVOYFYRIFE-FQEVSTJZSA-N 1 0 316.489 3.196 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1F)c1cccs1 ZINC000022892832 182339339 /nfs/dbraw/zinc/33/93/39/182339339.db2.gz QDCVPXAEDWNZMZ-ZDUSSCGKSA-N 1 0 307.394 3.312 50 0 DGAARO CC(C)(C)SCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023155497 182352233 /nfs/dbraw/zinc/35/22/33/182352233.db2.gz NGHPIHKCKGHWMD-UHFFFAOYSA-N 1 0 320.502 3.299 50 0 DGAARO C[N@H+](Cn1c2ccccc2oc1=O)C1C2CC3CC(C2)CC1C3 ZINC000024657571 182386160 /nfs/dbraw/zinc/38/61/60/182386160.db2.gz DTFCDUFNYRBXBQ-UHFFFAOYSA-N 1 0 312.413 3.309 50 0 DGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(C)n1 ZINC000026309148 182436514 /nfs/dbraw/zinc/43/65/14/182436514.db2.gz 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CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000058210812 184088735 /nfs/dbraw/zinc/08/87/35/184088735.db2.gz OFJAUXQPOSAVRM-MRXNPFEDSA-N 1 0 302.462 3.201 50 0 DGAARO O[C@H](C[NH2+]Cc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000058154543 184081355 /nfs/dbraw/zinc/08/13/55/184081355.db2.gz MVFAKAGBPPRHMR-CQSZACIVSA-N 1 0 311.303 3.408 50 0 DGAARO COc1c(C[NH2+]Cc2cc3ccccc3[nH]2)c(C(C)C)nn1C ZINC000058406103 184113841 /nfs/dbraw/zinc/11/38/41/184113841.db2.gz WOOVPPCPERNDRA-UHFFFAOYSA-N 1 0 312.417 3.323 50 0 DGAARO Brc1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000058421172 184115647 /nfs/dbraw/zinc/11/56/47/184115647.db2.gz VVAQYTZAVMIDGR-UHFFFAOYSA-N 1 0 309.251 3.119 50 0 DGAARO C[C@@H](Sc1nc(N)cc(N)[nH+]1)c1ccc(OC(F)F)cc1 ZINC000058440707 184119007 /nfs/dbraw/zinc/11/90/07/184119007.db2.gz OITDXXOPXIVKQN-SSDOTTSWSA-N 1 0 312.345 3.096 50 0 DGAARO CC1(C)CC(NC(=O)N2CCc3ccc(F)cc32)CC(C)(C)[NH2+]1 ZINC000060216927 184145514 /nfs/dbraw/zinc/14/55/14/184145514.db2.gz JCRVEQFVMQTFEE-UHFFFAOYSA-N 1 0 319.424 3.207 50 0 DGAARO CN(C(=O)C[N@@H+]1CCC[C@H]1Cc1cccc2ccccc21)C1CC1 ZINC000061040070 184160327 /nfs/dbraw/zinc/16/03/27/184160327.db2.gz WXBYSOYUAOWFEO-IBGZPJMESA-N 1 0 322.452 3.468 50 0 DGAARO COc1ccc2c(C[N@H+](C)Cc3ccccc3)cc(=O)oc2c1 ZINC000061997700 184200565 /nfs/dbraw/zinc/20/05/65/184200565.db2.gz BYJOZLRCKIHBAS-UHFFFAOYSA-N 1 0 309.365 3.434 50 0 biogenic DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000269101011 207240016 /nfs/dbraw/zinc/24/00/16/207240016.db2.gz BRNCRVXMJSWPLS-NSHDSACASA-N 1 0 306.406 3.112 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(\C)c2cccc(Cl)c2)C1 ZINC000269119255 207254015 /nfs/dbraw/zinc/25/40/15/207254015.db2.gz XTZFDHSACVVAMO-SSUFTNFISA-N 1 0 306.837 3.201 50 0 DGAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccncc1Cl ZINC000063856584 184289777 /nfs/dbraw/zinc/28/97/77/184289777.db2.gz VHHWAHBSSLBUQV-UHFFFAOYSA-N 1 0 323.849 3.001 50 0 DGAARO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000064590768 184301113 /nfs/dbraw/zinc/30/11/13/184301113.db2.gz QNFRBNOJVGWOOR-UHFFFAOYSA-N 1 0 321.424 3.353 50 0 DGAARO c1ccc([C@@H]2CCCN(CC[NH2+]C3CCSCC3)C2)cc1 ZINC000065393672 184334879 /nfs/dbraw/zinc/33/48/79/184334879.db2.gz AIPWBXOHYIYSAF-QGZVFWFLSA-N 1 0 304.503 3.351 50 0 DGAARO CCOc1cc([C@@H]2[NH2+]CCc3nc[nH]c32)cc(Cl)c1OCC ZINC000065408441 184339286 /nfs/dbraw/zinc/33/92/86/184339286.db2.gz VMEGAFZALXQXMC-AWEZNQCLSA-N 1 0 321.808 3.096 50 0 DGAARO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000065456803 184347768 /nfs/dbraw/zinc/34/77/68/184347768.db2.gz UJTBIABGYRNXGR-OAHLLOKOSA-N 1 0 306.475 3.424 50 0 DGAARO C[C@@H](Cn1ccnc1)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000065490960 184353595 /nfs/dbraw/zinc/35/35/95/184353595.db2.gz OTODNLJYTVHCAL-KRWDZBQOSA-N 1 0 304.482 3.050 50 0 DGAARO Cc1[nH+]c(N(C)C)nc(N[C@@H](C)c2cn3ccsc3n2)c1C ZINC000065525821 184359652 /nfs/dbraw/zinc/35/96/52/184359652.db2.gz XCVFQZUEBJKKEP-NSHDSACASA-N 1 0 316.434 3.042 50 0 DGAARO Cc1cccc(OCCCNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000065538958 184363392 /nfs/dbraw/zinc/36/33/92/184363392.db2.gz YCGWSMBUODOKPX-ULQDDVLXSA-N 1 0 318.461 3.141 50 0 DGAARO CC(C)c1ccc(OCCC(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000065586773 184369145 /nfs/dbraw/zinc/36/91/45/184369145.db2.gz ZYWQAFXPUIRPCT-UHFFFAOYSA-N 1 0 318.461 3.132 50 0 DGAARO C[C@H](Cn1cccn1)[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000069348477 184508338 /nfs/dbraw/zinc/50/83/38/184508338.db2.gz KSVRADDLKRAJES-GFCCVEGCSA-N 1 0 316.405 3.324 50 0 DGAARO COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000069487986 184518815 /nfs/dbraw/zinc/51/88/15/184518815.db2.gz KBOMCWCBVDKYSY-MSOLQXFVSA-N 1 0 324.424 3.499 50 0 DGAARO C[C@@H]1CCCC[C@@H]1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000007570378 296339149 /nfs/dbraw/zinc/33/91/49/296339149.db2.gz DXMZXLDBDTUPSJ-OCCSQVGLSA-N 1 0 311.539 3.338 50 0 DGAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2c(Cl)cccc2Cl)C1 ZINC000255002153 285118781 /nfs/dbraw/zinc/11/87/81/285118781.db2.gz RHYZCLVQZPGSOL-ISALQUGTSA-N 1 0 313.228 3.075 50 0 DGAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000157806436 197216352 /nfs/dbraw/zinc/21/63/52/197216352.db2.gz JVZTXVJYBGOQKJ-LBPRGKRZSA-N 1 0 323.487 3.234 50 0 DGAARO Cc1cccc(F)c1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000157284354 197176426 /nfs/dbraw/zinc/17/64/26/197176426.db2.gz WQJFGNCPEFYOCH-UHFFFAOYSA-N 1 0 303.381 3.002 50 0 DGAARO OC1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091262169 285244710 /nfs/dbraw/zinc/24/47/10/285244710.db2.gz IPARBAZEYLBPPU-QKFMDRJYSA-N 1 0 310.235 3.330 50 0 DGAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCC1 ZINC000007636267 285307538 /nfs/dbraw/zinc/30/75/38/285307538.db2.gz SUFOSZXUSFWEPR-GSBYPIHSSA-N 1 0 307.478 3.066 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000237478097 257239116 /nfs/dbraw/zinc/23/91/16/257239116.db2.gz SUUGSTWWGKNTIL-XBFCOCLRSA-N 1 0 314.351 3.061 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[N@H+]2CCCC[C@H]2C)c2ccccc12 ZINC000242575092 257259619 /nfs/dbraw/zinc/25/96/19/257259619.db2.gz NRYFBXSFQXDNFG-PBHICJAKSA-N 1 0 300.446 3.493 50 0 DGAARO COc1cc2c(cc1OC)C[N@@H+](C1Cc3ccccc3C1)CC2 ZINC000008207209 400120542 /nfs/dbraw/zinc/12/05/42/400120542.db2.gz DXBHVDZTGVKBCA-UHFFFAOYSA-N 1 0 309.409 3.229 50 0 DGAARO Cc1ccccc1N1CCC([NH2+]Cc2cncn2C2CC2)CC1 ZINC000584893384 400121782 /nfs/dbraw/zinc/12/17/82/400121782.db2.gz FFAVSZKNLSLWBC-UHFFFAOYSA-N 1 0 310.445 3.285 50 0 DGAARO Cc1ccccc1C1([NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC000584890405 400122251 /nfs/dbraw/zinc/12/22/51/400122251.db2.gz UOUPEHCFOYXWIT-QGZVFWFLSA-N 1 0 312.457 3.365 50 0 DGAARO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000092354884 400168359 /nfs/dbraw/zinc/16/83/59/400168359.db2.gz ULTWBMROEDROAQ-ZBFHGGJFSA-N 1 0 306.425 3.246 50 0 DGAARO CCOC(=O)[C@]1(c2ccccc2)C[C@H](CC)C=C[C@H]1[NH+](C)C ZINC000096028066 400274390 /nfs/dbraw/zinc/27/43/90/400274390.db2.gz WZJMDVVXTPWBRB-SUMDDJOVSA-N 1 0 301.430 3.404 50 0 DGAARO O=C1c2ccccc2OC[C@H]1C[NH2+]CCCCc1ccccc1 ZINC000096026812 400274403 /nfs/dbraw/zinc/27/44/03/400274403.db2.gz KNBOCRYYDJSWLS-QGZVFWFLSA-N 1 0 309.409 3.490 50 0 DGAARO CCN(CC)C(=O)C1([NH2+][C@H](C)c2ccccn2)CCCCC1 ZINC000097231430 400283045 /nfs/dbraw/zinc/28/30/45/400283045.db2.gz ZRHVUWUEMICCBX-OAHLLOKOSA-N 1 0 303.450 3.304 50 0 DGAARO CC(=O)NC1CCC([NH2+][C@H]2CCCC[C@@H]2OC2CCCC2)CC1 ZINC000097102538 400283542 /nfs/dbraw/zinc/28/35/42/400283542.db2.gz QUEHNMUSUUTRNC-VHZYLWGESA-N 1 0 322.493 3.294 50 0 DGAARO Cn1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(C2CCCCC2)n1 ZINC000097372984 400285384 /nfs/dbraw/zinc/28/53/84/400285384.db2.gz AYFCGIGHZRDEOS-SFHVURJKSA-N 1 0 303.450 3.080 50 0 DGAARO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCc1nnc2ccccn21 ZINC000097379782 400285442 /nfs/dbraw/zinc/28/54/42/400285442.db2.gz DUYITCFSRIAQLQ-SJORKVTESA-N 1 0 320.440 3.444 50 0 DGAARO CCn1c2ccc(F)cc2nc1C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000070018035 400352444 /nfs/dbraw/zinc/35/24/44/400352444.db2.gz RUMYZRYSMCYEJT-STQMWFEESA-N 1 0 315.396 3.131 50 0 DGAARO COc1ccc(-c2nc(CC[NH2+]Cc3cccc(O)c3)co2)cc1 ZINC000072274450 400376721 /nfs/dbraw/zinc/37/67/21/400376721.db2.gz GNDGFHLXKMOJSS-UHFFFAOYSA-N 1 0 324.380 3.388 50 0 DGAARO CCC[N@@H+]1CCCN(C(=O)Nc2c(C)nn(C(C)C)c2C)CC1 ZINC000072278499 400377059 /nfs/dbraw/zinc/37/70/59/400377059.db2.gz MCMDJDNLCLALHW-UHFFFAOYSA-N 1 0 321.469 3.030 50 0 DGAARO COc1ccc(-c2nc(CC[NH2+]Cc3cccnc3)co2)cc1 ZINC000072274449 400377435 /nfs/dbraw/zinc/37/74/35/400377435.db2.gz GEJNKCRLHBERPJ-UHFFFAOYSA-N 1 0 309.369 3.078 50 0 DGAARO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](c1cccs1)C(C)(C)C ZINC000072285237 400377812 /nfs/dbraw/zinc/37/78/12/400377812.db2.gz DMCCOIFMCXXRSL-OAHLLOKOSA-N 1 0 320.462 3.404 50 0 DGAARO Cc1ccc2cccc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2n1 ZINC000072285088 400378125 /nfs/dbraw/zinc/37/81/25/400378125.db2.gz NJLZWRZCCALRNI-MRXNPFEDSA-N 1 0 324.428 3.245 50 0 DGAARO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)C ZINC000072285236 400378181 /nfs/dbraw/zinc/37/81/81/400378181.db2.gz DMCCOIFMCXXRSL-HNNXBMFYSA-N 1 0 320.462 3.404 50 0 DGAARO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)NC1CCCCC1 ZINC000072772129 400403138 /nfs/dbraw/zinc/40/31/38/400403138.db2.gz BEHRZWSGMVICOT-OAHLLOKOSA-N 1 0 318.461 3.007 50 0 DGAARO O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000119111356 400434293 /nfs/dbraw/zinc/43/42/93/400434293.db2.gz LMXAFLXLOLEZOC-GFCCVEGCSA-N 1 0 306.381 3.085 50 0 DGAARO C[C@H](c1ccccc1Br)[N@H+](C)CCC1OCCO1 ZINC000123973261 400473649 /nfs/dbraw/zinc/47/36/49/400473649.db2.gz OOKZXVCZGKPRHJ-LLVKDONJSA-N 1 0 314.223 3.205 50 0 DGAARO C[C@@H]1CC([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H](C)C1 ZINC000126918670 400497163 /nfs/dbraw/zinc/49/71/63/400497163.db2.gz PMESYJGCRIUYKY-KBPBESRZSA-N 1 0 309.475 3.146 50 0 DGAARO CC1(C)Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2O1 ZINC000134268413 400575706 /nfs/dbraw/zinc/57/57/06/400575706.db2.gz MUFNPHXCPZJFBN-UHFFFAOYSA-N 1 0 300.446 3.117 50 0 DGAARO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1 ZINC000076057826 400630843 /nfs/dbraw/zinc/63/08/43/400630843.db2.gz MXTPKQDZTBAJJU-YJBOKZPZSA-N 1 0 302.462 3.232 50 0 DGAARO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)c1C ZINC000076057613 400630917 /nfs/dbraw/zinc/63/09/17/400630917.db2.gz OYPCQRXTAUCZHO-MAUKXSAKSA-N 1 0 302.462 3.286 50 0 DGAARO CCn1c2cccc(F)c2nc1C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000075606685 400597048 /nfs/dbraw/zinc/59/70/48/400597048.db2.gz YMSUUVGULZRCEJ-OLZOCXBDSA-N 1 0 315.396 3.131 50 0 DGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000169781489 400760893 /nfs/dbraw/zinc/76/08/93/400760893.db2.gz WGHKQIOLAFYVOI-OAHLLOKOSA-N 1 0 322.399 3.045 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccncc3)CC2)CC1 ZINC000169779477 400761162 /nfs/dbraw/zinc/76/11/62/400761162.db2.gz ILOHWTXNXHKXMR-KRWDZBQOSA-N 1 0 315.461 3.056 50 0 DGAARO CC(C)[C@H](C(=O)O[C@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000170609453 400766533 /nfs/dbraw/zinc/76/65/33/400766533.db2.gz ZJWOFMAENSUGMT-BXUZGUMPSA-N 1 0 306.431 3.487 50 0 DGAARO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000170642697 400768172 /nfs/dbraw/zinc/76/81/72/400768172.db2.gz QSYLDVOCPYXICR-GJZGRUSLSA-N 1 0 317.351 3.268 50 0 DGAARO CCC[C@H]([NH3+])CNC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000170677232 400769541 /nfs/dbraw/zinc/76/95/41/400769541.db2.gz HWYABPOYTWURTI-ZJUUUORDSA-N 1 0 303.233 3.341 50 0 DGAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2cccc3[nH]ccc32)cn1 ZINC000078880572 400830427 /nfs/dbraw/zinc/83/04/27/400830427.db2.gz WJUVALKYSXEMCN-KXBFYZLASA-N 1 0 324.428 3.252 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000078897243 400831553 /nfs/dbraw/zinc/83/15/53/400831553.db2.gz JYPVYZZBVRMPJQ-PBHICJAKSA-N 1 0 314.429 3.478 50 0 DGAARO OC[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000190515845 400910767 /nfs/dbraw/zinc/91/07/67/400910767.db2.gz HOWLDFUQVVQJOQ-IHRRRGAJSA-N 1 0 317.351 3.006 50 0 DGAARO C[NH2+]C1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)CC1 ZINC000606441141 400913113 /nfs/dbraw/zinc/91/31/13/400913113.db2.gz ISTQSDUNGSNSGH-WAYWQWQTSA-N 1 0 313.228 3.217 50 0 DGAARO C[N@@H+]1CC/C(=C/C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000606444854 400913289 /nfs/dbraw/zinc/91/32/89/400913289.db2.gz NFSDFOWMRJKFPH-TXUZILRVSA-N 1 0 324.399 3.293 50 0 DGAARO C[C@H]1C[C@H](CNC(=O)c2cccc(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000195556826 400925072 /nfs/dbraw/zinc/92/50/72/400925072.db2.gz ZJRLWPBKBXIZCK-DOTOQJQBSA-N 1 0 324.424 3.033 50 0 DGAARO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000195559837 400925931 /nfs/dbraw/zinc/92/59/31/400925931.db2.gz KOZGYRYCSYHXLC-WMLDXEAASA-N 1 0 309.475 3.147 50 0 DGAARO Clc1ccc(N2CCC([NH2+]Cc3ccncc3)CC2)cc1 ZINC000195571707 400926944 /nfs/dbraw/zinc/92/69/44/400926944.db2.gz LSUOTKLTURBMHY-UHFFFAOYSA-N 1 0 301.821 3.494 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1ccccc1 ZINC000248157327 401067014 /nfs/dbraw/zinc/06/70/14/401067014.db2.gz WBIOZJPZACILNG-QZTJIDSGSA-N 1 0 300.446 3.095 50 0 DGAARO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(CC1CC1)C1CCCCC1 ZINC000252487546 401094518 /nfs/dbraw/zinc/09/45/18/401094518.db2.gz YWXCIYZOWCZURQ-WMZOPIPTSA-N 1 0 319.493 3.368 50 0 DGAARO Cc1nc(SCC[C@H]2CCC[N@H+]2C)n(C[C@H]2CCCO2)c1C ZINC000252486777 401094937 /nfs/dbraw/zinc/09/49/37/401094937.db2.gz NDZXYZJTJGUAGG-HZPDHXFCSA-N 1 0 323.506 3.255 50 0 DGAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000084714918 401152788 /nfs/dbraw/zinc/15/27/88/401152788.db2.gz JDSSHSRMXBDRBV-MLGOLLRUSA-N 1 0 306.837 3.077 50 0 DGAARO O=C(NC1CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000065985712 401287898 /nfs/dbraw/zinc/28/78/98/401287898.db2.gz JKMVUHMBBAVTBJ-UHFFFAOYSA-N 1 0 307.482 3.273 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nc(C)nc32)C12CCCCC2 ZINC000097034730 286290163 /nfs/dbraw/zinc/29/01/63/286290163.db2.gz RCCZIPMICSYKBH-BZUAXINKSA-N 1 0 318.465 3.139 50 0 DGAARO Cc1cc(N[C@@H](C)[C@@H]2CCOC2)ccc1OCC[NH+]1CCCC1 ZINC000182236947 432170353 /nfs/dbraw/zinc/17/03/53/432170353.db2.gz CPEQGSBVPUIWRZ-DLBZAZTESA-N 1 0 318.461 3.307 50 0 DGAARO C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C[C@@H]1n1ccnc1 ZINC000129770215 196075036 /nfs/dbraw/zinc/07/50/36/196075036.db2.gz LVQBNVFFONXJJH-JQFCIGGWSA-N 1 0 319.836 3.153 50 0 DGAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000299738671 229371221 /nfs/dbraw/zinc/37/12/21/229371221.db2.gz FCCJQCLVIXNFCE-ZDUSSCGKSA-N 1 0 314.360 3.039 50 0 DGAARO Cc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006726797 262535626 /nfs/dbraw/zinc/53/56/26/262535626.db2.gz VTGQORLBUHRSNL-UHFFFAOYSA-N 1 0 301.434 3.477 50 0 DGAARO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(OC)c1 ZINC000095422995 262545988 /nfs/dbraw/zinc/54/59/88/262545988.db2.gz FUJLKBRMWQBHGC-YVEFUNNKSA-N 1 0 321.442 3.324 50 0 DGAARO O=C(c1ccoc1)N1CCCN(C/C=C/c2ccccc2)CC1 ZINC000368773005 271206643 /nfs/dbraw/zinc/20/66/43/271206643.db2.gz QQXHUQNWHKMDLL-XBXARRHUSA-N 1 0 310.397 3.141 50 0 DGAARO CC(C)[NH+]1CCC(Nc2ncnc3sc4c(c32)CCC4)CC1 ZINC000009861831 273529581 /nfs/dbraw/zinc/52/95/81/273529581.db2.gz AXKFHTMLYHKHGD-UHFFFAOYSA-N 1 0 316.474 3.465 50 0 DGAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccccc1 ZINC000008973764 273977206 /nfs/dbraw/zinc/97/72/06/273977206.db2.gz GSVAQPRHUJBYPD-QGZVFWFLSA-N 1 0 319.364 3.476 50 0 DGAARO COC(C)(C)C[C@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000096478575 274012021 /nfs/dbraw/zinc/01/20/21/274012021.db2.gz PNHDSVUSAKCWNG-LBPRGKRZSA-N 1 0 311.495 3.214 50 0 DGAARO COCCn1ccnc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000215237809 274041268 /nfs/dbraw/zinc/04/12/68/274041268.db2.gz UGTIDXLPMMHGEZ-SFHVURJKSA-N 1 0 313.445 3.299 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)C2=Cc3ccccc3OC=C2)C1 ZINC000095375058 274284765 /nfs/dbraw/zinc/28/47/65/274284765.db2.gz CDPUROVFGKUGQB-OAHLLOKOSA-N 1 0 324.424 3.061 50 0 DGAARO Cc1sc2ncnc(N3CCC([NH+]4CCCC4)CC3)c2c1C ZINC000079936034 274879200 /nfs/dbraw/zinc/87/92/00/274879200.db2.gz JUNJKFLXLGHCQP-UHFFFAOYSA-N 1 0 316.474 3.373 50 0 DGAARO O=C(Nc1nc2ccccc2s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229816433 275002574 /nfs/dbraw/zinc/00/25/74/275002574.db2.gz IYTOJXVQFBETDF-YPMHNXCESA-N 1 0 316.430 3.045 50 0 DGAARO CCN(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cn1 ZINC000191402961 432260746 /nfs/dbraw/zinc/26/07/46/432260746.db2.gz NGJCDBYNBMMMOW-SFHVURJKSA-N 1 0 317.477 3.461 50 0 DGAARO CC(=O)N(C[C@H]1C[NH2+]C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034740211 276951410 /nfs/dbraw/zinc/95/14/10/276951410.db2.gz PWUCUXOGOVBUAZ-IEBWSBKVSA-N 1 0 300.446 3.171 50 0 DGAARO CN(c1nc(C(F)F)nc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000072296180 277003920 /nfs/dbraw/zinc/00/39/20/277003920.db2.gz GVESQJCDKYKPRS-NSHDSACASA-N 1 0 306.360 3.098 50 0 DGAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cscn2)[C@H]1c1cccs1 ZINC000247196406 277073774 /nfs/dbraw/zinc/07/37/74/277073774.db2.gz BPXZSCXBQFQQSB-RISCZKNCSA-N 1 0 321.471 3.018 50 0 DGAARO C[NH+]1CCN(c2nnc(-c3cccs3)c3ccccc32)CC1 ZINC000000091473 277115566 /nfs/dbraw/zinc/11/55/66/277115566.db2.gz WIBKCSKSGSHGMH-UHFFFAOYSA-N 1 0 310.426 3.110 50 0 DGAARO C[NH+]1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000000126549 277115694 /nfs/dbraw/zinc/11/56/94/277115694.db2.gz ACBUSPOAUFLRNN-UHFFFAOYSA-N 1 0 304.397 3.049 50 0 DGAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCCSC2)CC1 ZINC000167457195 277186508 /nfs/dbraw/zinc/18/65/08/277186508.db2.gz HHBKLBXUOBXECG-KBPBESRZSA-N 1 0 314.495 3.261 50 0 DGAARO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@@H]1COc2ccccc21 ZINC000185639549 278263674 /nfs/dbraw/zinc/26/36/74/278263674.db2.gz DNPANLOIBCNKEY-ZLIFDBKOSA-N 1 0 301.361 3.013 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000012414172 278884740 /nfs/dbraw/zinc/88/47/40/278884740.db2.gz VPFMQNLGAWHOPI-GMGOFACGSA-N 1 0 321.505 3.311 50 0 DGAARO COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)[N@H+](C)CC2 ZINC000000044853 431114051 /nfs/dbraw/zinc/11/40/51/431114051.db2.gz ZBKFZIUKXTWQTP-KRWDZBQOSA-N 1 0 313.397 3.181 50 0 biogenic,in-vitro DGAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCCCCC2)c2ccccc12 ZINC000000096647 431121002 /nfs/dbraw/zinc/12/10/02/431121002.db2.gz WDPNGXRIQKAUPQ-QGZVFWFLSA-N 1 0 300.446 3.495 50 0 DGAARO COc1ccc(OC)c(Nc2cc(-c3ccccc3)nc(N)n2)c1 ZINC000000092771 431121384 /nfs/dbraw/zinc/12/13/84/431121384.db2.gz ZYDRBQYKLFLDOS-UHFFFAOYSA-N 1 0 322.368 3.487 50 0 DGAARO O[C@@H](C[N@@H+]1C[C@H](O)C[C@H]1C1CCCCC1)c1ccc(Cl)cc1 ZINC000108159941 431127034 /nfs/dbraw/zinc/12/70/34/431127034.db2.gz POSTXSRYADKAGM-SQNIBIBYSA-N 1 0 323.864 3.389 50 0 DGAARO C[C@@H]1SCCN(C(=O)CC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000237385281 279070711 /nfs/dbraw/zinc/07/07/11/279070711.db2.gz ZEDZRLIUVNXTNS-KBXCAEBGSA-N 1 0 318.486 3.081 50 0 DGAARO Cc1ccc([C@H](O)CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000000315383 431164628 /nfs/dbraw/zinc/16/46/28/431164628.db2.gz CBPRZKPZYKCRCR-GOSISDBHSA-N 1 0 307.397 3.115 50 0 DGAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000000317619 431165997 /nfs/dbraw/zinc/16/59/97/431165997.db2.gz 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431184168 /nfs/dbraw/zinc/18/41/68/431184168.db2.gz CTGOYQZDOVTMIC-RDJZCZTQSA-N 1 0 311.429 3.312 50 0 DGAARO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C)C2)ccc1Br ZINC000069378419 431184863 /nfs/dbraw/zinc/18/48/63/431184863.db2.gz MGOHNNLLAGDJIH-SNVBAGLBSA-N 1 0 311.223 3.038 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[N@H+]2CCCC[C@H]2C)c2ccccc12 ZINC000000572129 431201822 /nfs/dbraw/zinc/20/18/22/431201822.db2.gz NRYFBXSFQXDNFG-RHSMWYFYSA-N 1 0 300.446 3.493 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000069453447 431187058 /nfs/dbraw/zinc/18/70/58/431187058.db2.gz MTYWYQPPLLJYOD-GJZGRUSLSA-N 1 0 309.417 3.321 50 0 DGAARO c1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000069491694 431192930 /nfs/dbraw/zinc/19/29/30/431192930.db2.gz WLYMTVPGTQDTAS-GOSISDBHSA-N 1 0 304.397 3.050 50 0 DGAARO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c(C)n1C(C)C ZINC000069571192 431198376 /nfs/dbraw/zinc/19/83/76/431198376.db2.gz XQJJNEFLKFVWQZ-ZWKOTPCHSA-N 1 0 317.477 3.385 50 0 DGAARO O=C(c1ccc(F)cc1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000000207598 431144969 /nfs/dbraw/zinc/14/49/69/431144969.db2.gz XDUDVNDBPKIHHX-UHFFFAOYSA-N 1 0 304.409 3.306 50 0 DGAARO Brc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000000293338 431160659 /nfs/dbraw/zinc/16/06/59/431160659.db2.gz YOTNHLVWMFBIMD-UHFFFAOYSA-N 1 0 320.186 3.468 50 0 DGAARO Cc1cc([C@H](C)C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC000069601375 431203904 /nfs/dbraw/zinc/20/39/04/431203904.db2.gz FRBDTGHNDFXITC-JQFCIGGWSA-N 1 0 304.434 3.085 50 0 DGAARO c1coc(-c2nnc(C[N@H+](C3CC3)C3Cc4ccccc4C3)o2)c1 ZINC000069618836 431206389 /nfs/dbraw/zinc/20/63/89/431206389.db2.gz XTKLUWYUDTVAMG-UHFFFAOYSA-N 1 0 321.380 3.461 50 0 DGAARO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c2ccccc2n1 ZINC000069808314 431223890 /nfs/dbraw/zinc/22/38/90/431223890.db2.gz SZPCVBAMBZCNFH-RTBURBONSA-N 1 0 323.440 3.242 50 0 DGAARO COc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000001436731 431227282 /nfs/dbraw/zinc/22/72/82/431227282.db2.gz 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/nfs/dbraw/zinc/24/74/65/431247465.db2.gz YRGCAQJPUILDRV-UHFFFAOYSA-N 1 0 301.386 3.311 50 0 DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000002490900 431254477 /nfs/dbraw/zinc/25/44/77/431254477.db2.gz FUVQWGXSWZNEJA-QGZVFWFLSA-N 1 0 302.462 3.384 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[NH2+]CCc2ccccc2)c2ccccc12 ZINC000002494733 431255304 /nfs/dbraw/zinc/25/53/04/431255304.db2.gz UYEBZMBMRMWPHP-LJQANCHMSA-N 1 0 322.452 3.451 50 0 DGAARO CC[C@H]1C[N@H+](Cc2ccncc2)CCC(=O)N1Cc1ccccc1 ZINC000071403930 431280024 /nfs/dbraw/zinc/28/00/24/431280024.db2.gz UOIPPCSREJLZLI-IBGZPJMESA-N 1 0 323.440 3.095 50 0 DGAARO CC[C@@H]1CCCC[N@@H+]1CC(C)(C)NS(=O)(=O)c1ccccc1 ZINC000003179541 431285275 /nfs/dbraw/zinc/28/52/75/431285275.db2.gz PMBKITOFUPVZRX-OAHLLOKOSA-N 1 0 324.490 3.008 50 0 DGAARO Cc1cccc2cc(CO)c(-c3cccc4c3CC[NH2+]C4)nc12 ZINC000071757258 431287708 /nfs/dbraw/zinc/28/77/08/431287708.db2.gz CACJUCIMFSNNMZ-UHFFFAOYSA-N 1 0 304.393 3.348 50 0 DGAARO Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000071819625 431292007 /nfs/dbraw/zinc/29/20/07/431292007.db2.gz ZYXQQHGYDQOVIE-GFCCVEGCSA-N 1 0 305.809 3.246 50 0 DGAARO CCOC(=O)N1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000003683549 431292892 /nfs/dbraw/zinc/29/28/92/431292892.db2.gz VHCCJRHNMVUMFJ-UHFFFAOYSA-N 1 0 310.825 3.093 50 0 DGAARO COc1cc(C[NH2+][C@@H]2CCOc3ccccc32)cc2c1OCO2 ZINC000071831319 431295406 /nfs/dbraw/zinc/29/54/06/431295406.db2.gz HEHWFRQSDLIXSG-CQSZACIVSA-N 1 0 313.353 3.037 50 0 DGAARO CC(C)C(=O)NC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000071852344 431300171 /nfs/dbraw/zinc/30/01/71/431300171.db2.gz ZTGAIRODKKUSCZ-UHFFFAOYSA-N 1 0 324.465 3.154 50 0 DGAARO Cc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1F ZINC000071857530 431300782 /nfs/dbraw/zinc/30/07/82/431300782.db2.gz IDTIVYMTUQJYPI-UHFFFAOYSA-N 1 0 313.420 3.283 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000071880528 431305012 /nfs/dbraw/zinc/30/50/12/431305012.db2.gz BXQRPXPJNARZBR-UONOGXRCSA-N 1 0 312.866 3.377 50 0 DGAARO CC[C@@H]([NH2+][C@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O ZINC000071902574 431311650 /nfs/dbraw/zinc/31/16/50/431311650.db2.gz YCODENVLHVCKIP-ZWNOBZJWSA-N 1 0 303.431 3.033 50 0 DGAARO CC[C@@H](C)[NH2+]CCOc1ccccc1I ZINC000002824894 431272290 /nfs/dbraw/zinc/27/22/90/431272290.db2.gz VAPDYULGVONTSA-SNVBAGLBSA-N 1 0 319.186 3.058 50 0 DGAARO COc1cc(C)ccc1OCCOCC[N@@H+]1CCC[C@@H](C)C1 ZINC000002825110 431272858 /nfs/dbraw/zinc/27/28/58/431272858.db2.gz SUHMCKYNSMZKIV-MRXNPFEDSA-N 1 0 307.434 3.131 50 0 DGAARO COC(=O)c1ccc(OCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000002823791 431273206 /nfs/dbraw/zinc/27/32/06/431273206.db2.gz XQAHUJGDCJKCRU-OAHLLOKOSA-N 1 0 305.418 3.364 50 0 DGAARO O=C(C1CCCC1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006742590 431318971 /nfs/dbraw/zinc/31/89/71/431318971.db2.gz RHFSQKRIUBKBFB-UHFFFAOYSA-N 1 0 316.489 3.290 50 0 DGAARO CCC[N@@H+]1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072140105 431330534 /nfs/dbraw/zinc/33/05/34/431330534.db2.gz 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/nfs/dbraw/zinc/37/52/66/431375266.db2.gz NCGQZPGYGSTJQC-CQSZACIVSA-N 1 0 310.426 3.378 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000008130799 431382278 /nfs/dbraw/zinc/38/22/78/431382278.db2.gz ZOUBLGWDQVHPOE-UHFFFAOYSA-N 1 0 300.446 3.170 50 0 DGAARO O=c1cc(C[NH+]2CCCCCC2)nc2sc3c(n21)CCCC3 ZINC000008184719 431385038 /nfs/dbraw/zinc/38/50/38/431385038.db2.gz ZIBKEQRPXGJPJY-UHFFFAOYSA-N 1 0 317.458 3.011 50 0 DGAARO CCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008714113 431406441 /nfs/dbraw/zinc/40/64/41/431406441.db2.gz RJKGQOROSOIPAJ-UHFFFAOYSA-N 1 0 314.385 3.021 50 0 DGAARO CC(C)CNC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000008727402 431408050 /nfs/dbraw/zinc/40/80/50/431408050.db2.gz GRROLTTUWPTZKI-UHFFFAOYSA-N 1 0 313.445 3.120 50 0 DGAARO Cc1ccc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009502512 431437625 /nfs/dbraw/zinc/43/76/25/431437625.db2.gz FHGOMACSXMYNLJ-KRWDZBQOSA-N 1 0 312.413 3.084 50 0 DGAARO C[NH+](C)[C@@H](CNc1c(F)c(F)nc(F)c1F)c1cccs1 ZINC000075106790 431455590 /nfs/dbraw/zinc/45/55/90/431455590.db2.gz IBZDYVHRSWLAAB-ZETCQYMHSA-N 1 0 319.327 3.414 50 0 DGAARO CSCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C)c1 ZINC000012572799 431519869 /nfs/dbraw/zinc/51/98/69/431519869.db2.gz APUGSGOPWGXLEI-KRWDZBQOSA-N 1 0 320.502 3.219 50 0 DGAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000012582462 431520585 /nfs/dbraw/zinc/52/05/85/431520585.db2.gz JAVNGJKBSJQNAB-OAHLLOKOSA-N 1 0 322.355 3.275 50 0 DGAARO CC(C)[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)CCS1 ZINC000076064617 431521183 /nfs/dbraw/zinc/52/11/83/431521183.db2.gz LNOXHCVNLMNULY-INIZCTEOSA-N 1 0 302.443 3.102 50 0 DGAARO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000012750551 431525631 /nfs/dbraw/zinc/52/56/31/431525631.db2.gz TUIVAXVFZDAMFH-GFCCVEGCSA-N 1 0 304.415 3.436 50 0 DGAARO Cc1cnc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cn1 ZINC000075610356 431489483 /nfs/dbraw/zinc/48/94/83/431489483.db2.gz YXPBGQRWNDGSAV-UHFFFAOYSA-N 1 0 311.429 3.214 50 0 DGAARO Cc1ccc(C)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000012348861 431502573 /nfs/dbraw/zinc/50/25/73/431502573.db2.gz PLVPAPVVUJLIPF-INIZCTEOSA-N 1 0 302.443 3.398 50 0 DGAARO CC(C)c1ccc(OC(C)(C)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000012383005 431502801 /nfs/dbraw/zinc/50/28/01/431502801.db2.gz VTJPYYPTAAZJSW-UHFFFAOYSA-N 1 0 318.461 3.178 50 0 DGAARO Cc1ccccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000012945131 431537488 /nfs/dbraw/zinc/53/74/88/431537488.db2.gz STDYNMGVSDYIMY-KRWDZBQOSA-N 1 0 300.377 3.167 50 0 DGAARO Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000001008106 280291760 /nfs/dbraw/zinc/29/17/60/280291760.db2.gz JGBVCDVKBOAHLX-NTEUORMPSA-N 1 0 313.382 3.155 50 0 DGAARO Cc1csc(N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000077439289 431595449 /nfs/dbraw/zinc/59/54/49/431595449.db2.gz MFSZENWYENOCGV-UHFFFAOYSA-N 1 0 313.470 3.131 50 0 DGAARO CSCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000015005980 431600831 /nfs/dbraw/zinc/60/08/31/431600831.db2.gz JUOOINZWIGXOQF-MRXNPFEDSA-N 1 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/nfs/dbraw/zinc/58/88/26/431588826.db2.gz MZEBTKLIUVXYNW-RBUKOAKNSA-N 1 0 324.424 3.082 50 0 DGAARO Cc1ccc([C@@]2(O)C[n+]3ccccc3N2C2CCCCC2)cc1 ZINC000014356929 431589338 /nfs/dbraw/zinc/58/93/38/431589338.db2.gz BRKSOJZUXBRWCT-FQEVSTJZSA-N 1 0 309.433 3.283 50 0 DGAARO COc1ccc(F)cc1C[NH+]1CCC([C@H](O)CC(C)C)CC1 ZINC000077407134 431591087 /nfs/dbraw/zinc/59/10/87/431591087.db2.gz LCPQSJWPDVEWRO-QGZVFWFLSA-N 1 0 309.425 3.453 50 0 DGAARO Cc1cccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)c1C ZINC000077404920 431591380 /nfs/dbraw/zinc/59/13/80/431591380.db2.gz IWIIIKTVMKELHB-LJQANCHMSA-N 1 0 306.413 3.426 50 0 DGAARO Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025197752 431648873 /nfs/dbraw/zinc/64/88/73/431648873.db2.gz VOIHNUNUMKRMPP-HZPDHXFCSA-N 1 0 304.434 3.131 50 0 DGAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cccc2c1OCCCO2 ZINC000078553146 431682367 /nfs/dbraw/zinc/68/23/67/431682367.db2.gz QCBZVHBBWWRXPK-GFCCVEGCSA-N 1 0 315.417 3.049 50 0 DGAARO C[C@@H]([N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1)C(C)(C)C ZINC000027135901 431683394 /nfs/dbraw/zinc/68/33/94/431683394.db2.gz ZJBMJEPKEFQVGF-LLVKDONJSA-N 1 0 307.825 3.214 50 0 DGAARO Cc1ccc([C@@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000078648330 431691062 /nfs/dbraw/zinc/69/10/62/431691062.db2.gz BOCKDSDSLQYMCL-NRFANRHFSA-N 1 0 324.468 3.283 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C2CCCC2)c2ccc(F)cc12 ZINC000028297173 431706537 /nfs/dbraw/zinc/70/65/37/431706537.db2.gz KJLZQNSERHDGAY-INIZCTEOSA-N 1 0 304.409 3.290 50 0 DGAARO CC(C)n1cc(CCCC(=O)NCC[NH+](C)C)c2ccccc21 ZINC000079494686 431725140 /nfs/dbraw/zinc/72/51/40/431725140.db2.gz VDQBAMGNBAMKIP-UHFFFAOYSA-N 1 0 315.461 3.223 50 0 DGAARO C[NH+](C)Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1 ZINC000029952526 431732122 /nfs/dbraw/zinc/73/21/22/431732122.db2.gz NLCQPYZJPCOILK-UHFFFAOYSA-N 1 0 309.369 3.071 50 0 DGAARO COc1cccc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)oc21 ZINC000032739807 431790084 /nfs/dbraw/zinc/79/00/84/431790084.db2.gz WEXQNKBLAHYOOU-UHFFFAOYSA-N 1 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WSHZNNWUQJXSNU-QGZVFWFLSA-N 1 0 309.417 3.090 50 0 DGAARO O=C(NCCc1[nH+]cc2ccccn21)Nc1ccc(Cl)cc1 ZINC000031773130 431766792 /nfs/dbraw/zinc/76/67/92/431766792.db2.gz GRPIRHLYNAWAKN-UHFFFAOYSA-N 1 0 314.776 3.352 50 0 DGAARO Cn1c(SCCC[NH3+])nnc1-c1ccc(C(C)(C)C)cc1 ZINC000032199403 431775142 /nfs/dbraw/zinc/77/51/42/431775142.db2.gz PYBYKSSXBRPFJL-UHFFFAOYSA-N 1 0 304.463 3.221 50 0 DGAARO O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000032232121 431775289 /nfs/dbraw/zinc/77/52/89/431775289.db2.gz TUANARVBQKQAAK-KRWDZBQOSA-N 1 0 314.360 3.095 50 0 DGAARO Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000032398855 431777500 /nfs/dbraw/zinc/77/75/00/431777500.db2.gz UZCGOEJALJNISE-UHFFFAOYSA-N 1 0 314.454 3.235 50 0 DGAARO CC(C)[N@@H+]1CCCC[C@@H]1CCn1cnc2cc(F)ccc2c1=O ZINC000032547836 431781209 /nfs/dbraw/zinc/78/12/09/431781209.db2.gz LMBFFNLTQBFUTD-OAHLLOKOSA-N 1 0 317.408 3.189 50 0 DGAARO C[C@@H](CNC(=O)c1cc(-c2cccs2)on1)[NH+]1CCCCC1 ZINC000032594185 431785817 /nfs/dbraw/zinc/78/58/17/431785817.db2.gz ZQMOBRKCCCWXHY-LBPRGKRZSA-N 1 0 319.430 3.007 50 0 DGAARO C[NH+](C)CCN(C(=O)C1CCC1)c1nc2c(cccc2F)s1 ZINC000036642579 431839905 /nfs/dbraw/zinc/83/99/05/431839905.db2.gz ZJZNQXYGZRFBPK-UHFFFAOYSA-N 1 0 321.421 3.130 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)cc1Br ZINC000037105999 431843978 /nfs/dbraw/zinc/84/39/78/431843978.db2.gz QPSAYMWHIQPPEY-SECBINFHSA-N 1 0 324.222 3.340 50 0 DGAARO O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000086253434 431844281 /nfs/dbraw/zinc/84/42/81/431844281.db2.gz XLHMQOPQWFODEK-IBGZPJMESA-N 1 0 319.408 3.354 50 0 DGAARO [NH3+][C@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 ZINC000037806385 431850775 /nfs/dbraw/zinc/85/07/75/431850775.db2.gz QMBSFYFUSGCJQA-MRXNPFEDSA-N 1 0 300.427 3.329 50 0 DGAARO Fc1ccccc1N1CCN(c2cnnc3ccccc32)CC1 ZINC000041122891 431858171 /nfs/dbraw/zinc/85/81/71/431858171.db2.gz HHVVRMLWBYCLMT-UHFFFAOYSA-N 1 0 308.360 3.096 50 0 DGAARO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000043143158 431867236 /nfs/dbraw/zinc/86/72/36/431867236.db2.gz SSXRFACQWWCKPN-UHFFFAOYSA-N 1 0 310.401 3.053 50 0 DGAARO COc1ccccc1N1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000089473864 431867721 /nfs/dbraw/zinc/86/77/21/431867721.db2.gz WGWOBFXQKXYNKA-HNNXBMFYSA-N 1 0 306.475 3.149 50 0 DGAARO Cc1ccoc1[C@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000089515253 431868895 /nfs/dbraw/zinc/86/88/95/431868895.db2.gz YYUCBNYFHMADEZ-STQMWFEESA-N 1 0 322.430 3.371 50 0 DGAARO C[C@@H]([NH2+]C1CCSCC1)c1cnn(Cc2ccccc2)c1 ZINC000089541675 431869917 /nfs/dbraw/zinc/86/99/17/431869917.db2.gz DFBWFWLONIJJDV-CQSZACIVSA-N 1 0 301.459 3.478 50 0 DGAARO CCOc1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000089552749 431870312 /nfs/dbraw/zinc/87/03/12/431870312.db2.gz JAOPGBMIJGXLEC-UHFFFAOYSA-N 1 0 317.458 3.300 50 0 DGAARO O[C@H](C[NH2+]Cc1cc(Br)cs1)c1ccccc1 ZINC000035112775 431824292 /nfs/dbraw/zinc/82/42/92/431824292.db2.gz JRMJXVNBFWVVCO-CYBMUJFWSA-N 1 0 312.232 3.334 50 0 DGAARO CC(C)CCn1cccc1C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000084510853 431825596 /nfs/dbraw/zinc/82/55/96/431825596.db2.gz JPIYHGDWKHFPQJ-INIZCTEOSA-N 1 0 300.450 3.398 50 0 DGAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000084686156 431831935 /nfs/dbraw/zinc/83/19/35/431831935.db2.gz HXETXHVJFJPMOE-JPEVHGAISA-N 1 0 323.502 3.091 50 0 DGAARO CC(C)CC[N@@H+](Cc1cccn1C)C[C@@H](O)COC(C)(C)C ZINC000036099154 431834627 /nfs/dbraw/zinc/83/46/27/431834627.db2.gz QLFOPCUBRTXEOS-QGZVFWFLSA-N 1 0 310.482 3.049 50 0 DGAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)C(C)C)c1OC ZINC000036097055 431835014 /nfs/dbraw/zinc/83/50/14/431835014.db2.gz PTIYRFPKEBBIEX-INIZCTEOSA-N 1 0 309.450 3.179 50 0 DGAARO CC(C)CC[N@@H+](Cc1cccn1C)C[C@H](O)COC(C)(C)C ZINC000036099152 431835643 /nfs/dbraw/zinc/83/56/43/431835643.db2.gz QLFOPCUBRTXEOS-KRWDZBQOSA-N 1 0 310.482 3.049 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036098382 431835792 /nfs/dbraw/zinc/83/57/92/431835792.db2.gz 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ZINC000047697948 431914500 /nfs/dbraw/zinc/91/45/00/431914500.db2.gz VXHWEJMDGODAPO-GFCCVEGCSA-N 1 0 313.353 3.037 50 0 DGAARO Cc1csc(=O)n1CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000048262574 431921834 /nfs/dbraw/zinc/92/18/34/431921834.db2.gz KMSRMTJBWBOTOQ-UHFFFAOYSA-N 1 0 306.431 3.256 50 0 DGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+][C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000004648888 280859142 /nfs/dbraw/zinc/85/91/42/280859142.db2.gz FICKTBOMIPGRMD-NXNVCVFFSA-N 1 0 314.429 3.041 50 0 DGAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNc2nnc(C3CC3)o2)C1 ZINC000095366679 431922669 /nfs/dbraw/zinc/92/26/69/431922669.db2.gz UCKHHNYWHDDSQT-AWEZNQCLSA-N 1 0 312.417 3.189 50 0 DGAARO CCCc1nc(C)c(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000095386616 431923811 /nfs/dbraw/zinc/92/38/11/431923811.db2.gz NUZBUJRVONIYBJ-AWEZNQCLSA-N 1 0 323.506 3.285 50 0 DGAARO CN(C/C=C/c1ccccc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095372864 431924322 /nfs/dbraw/zinc/92/43/22/431924322.db2.gz SSGWNJCQYVMJJZ-MZEUMTGBSA-N 1 0 300.446 3.423 50 0 DGAARO 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COc1ccccc1[C@H](CNc1nc2ccccc2[nH]1)[NH+](C)C ZINC000095947812 431928027 /nfs/dbraw/zinc/92/80/27/431928027.db2.gz XZEWWBDBZMRTNU-INIZCTEOSA-N 1 0 310.401 3.286 50 0 DGAARO CC(C)CSC[C@@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000095968085 431928773 /nfs/dbraw/zinc/92/87/73/431928773.db2.gz XPVHXHBCNCXZJV-GDBMZVCRSA-N 1 0 320.502 3.439 50 0 DGAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC(F)F)cc1 ZINC000095962974 431929092 /nfs/dbraw/zinc/92/90/92/431929092.db2.gz MDIXIPMADCBKCO-HUUCEWRRSA-N 1 0 310.388 3.347 50 0 DGAARO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000095967512 431929211 /nfs/dbraw/zinc/92/92/11/431929211.db2.gz IXFBHKAVRNKNLE-QWRGUYRKSA-N 1 0 307.467 3.080 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000048685335 431930801 /nfs/dbraw/zinc/93/08/01/431930801.db2.gz WCGPGLVLHNANEP-UHFFFAOYSA-N 1 0 323.444 3.078 50 0 DGAARO CC[C@@H]([NH2+]Cc1ccccc1)c1ccccc1OCC(=O)NC ZINC000048749801 431931640 /nfs/dbraw/zinc/93/16/40/431931640.db2.gz 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CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccco1 ZINC000096432964 431948865 /nfs/dbraw/zinc/94/88/65/431948865.db2.gz ZZDAPLYYOVNWEW-QZEKMECESA-N 1 0 324.424 3.273 50 0 DGAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccccc2F)no1 ZINC000051407355 431951554 /nfs/dbraw/zinc/95/15/54/431951554.db2.gz OKNKFZMFXGHLHP-LBPRGKRZSA-N 1 0 305.353 3.144 50 0 DGAARO CC[C@H](C)[N@H+](Cc1cccn1-c1ncccn1)Cc1ccncc1 ZINC000055384711 431980974 /nfs/dbraw/zinc/98/09/74/431980974.db2.gz QFWKBSNDRWMPFW-INIZCTEOSA-N 1 0 321.428 3.463 50 0 DGAARO O=C1CCc2ccc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2N1 ZINC000096482890 431952652 /nfs/dbraw/zinc/95/26/52/431952652.db2.gz GTVXBBTUKYSJST-SFHVURJKSA-N 1 0 321.424 3.258 50 0 DGAARO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccco1 ZINC000096476467 431952911 /nfs/dbraw/zinc/95/29/11/431952911.db2.gz YMWPHQRZTBJWBT-DOTOQJQBSA-N 1 0 300.402 3.004 50 0 DGAARO C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1ccsc1 ZINC000096478878 431953255 /nfs/dbraw/zinc/95/32/55/431953255.db2.gz KJYLUNXVMURLIJ-QWHCGFSZSA-N 1 0 313.430 3.178 50 0 DGAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000096493651 431953552 /nfs/dbraw/zinc/95/35/52/431953552.db2.gz UQZLXAKPYGMEAC-GJZGRUSLSA-N 1 0 305.422 3.132 50 0 DGAARO C[N@H+](Cc1ccncc1)[C@@H](CO)c1cccc(Br)c1 ZINC000096487668 431953690 /nfs/dbraw/zinc/95/36/90/431953690.db2.gz XULWWISBOBOUMQ-HNNXBMFYSA-N 1 0 321.218 3.010 50 0 DGAARO C[C@H](C[NH2+]C1CCN(C)CC1)c1cccc(Br)c1 ZINC000096489058 431953771 /nfs/dbraw/zinc/95/37/71/431953771.db2.gz SWYGZWAMYYFLNK-GFCCVEGCSA-N 1 0 311.267 3.236 50 0 DGAARO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000096491047 431953804 /nfs/dbraw/zinc/95/38/04/431953804.db2.gz NZWFHYVKWRJJBO-NSHDSACASA-N 1 0 315.804 3.471 50 0 DGAARO C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1cccc(CO)c1 ZINC000096493959 431954819 /nfs/dbraw/zinc/95/48/19/431954819.db2.gz SEGLTTNBJUKIRS-HNNXBMFYSA-N 1 0 321.424 3.430 50 0 DGAARO C[C@@H](Cc1ccsc1)NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000052501753 431956612 /nfs/dbraw/zinc/95/66/12/431956612.db2.gz SLLVOZWSWFKSRV-GJZGRUSLSA-N 1 0 323.506 3.243 50 0 DGAARO Cc1cc(CN2CC[NH+](CC[C@H](C)c3ccccc3)CC2)on1 ZINC000097105610 431960760 /nfs/dbraw/zinc/96/07/60/431960760.db2.gz PTMLSVKSJRPBNE-INIZCTEOSA-N 1 0 313.445 3.294 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000097095778 431960878 /nfs/dbraw/zinc/96/08/78/431960878.db2.gz FFJLTUBFEBEPSM-NWDGAFQWSA-N 1 0 311.451 3.069 50 0 DGAARO COc1ccc([C@H](O)C[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000053157652 431961495 /nfs/dbraw/zinc/96/14/95/431961495.db2.gz LLWKTVWHHUCNTP-MRXNPFEDSA-N 1 0 309.768 3.311 50 0 DGAARO CCN(C(=O)c1cccnc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097137919 431962782 /nfs/dbraw/zinc/96/27/82/431962782.db2.gz CMAAVFBAVXTVQF-GOSISDBHSA-N 1 0 323.440 3.127 50 0 DGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000053573753 431963895 /nfs/dbraw/zinc/96/38/95/431963895.db2.gz LUIRIZKQVHZMND-BZUAXINKSA-N 1 0 310.445 3.471 50 0 DGAARO COc1ccc(/C=C/C[N@@H+]2CC[C@H](n3nc(C)cc3C)C2)cc1 ZINC000097360128 431967997 /nfs/dbraw/zinc/96/79/97/431967997.db2.gz FWWRLLIIUDXTIN-WRFKIARRSA-N 1 0 311.429 3.469 50 0 DGAARO C[NH+](C)Cc1cccc(NC(=O)c2cc(C(C)(C)C)[nH]n2)c1 ZINC000097358690 431968280 /nfs/dbraw/zinc/96/82/80/431968280.db2.gz LWGKAIKSHCLZPG-UHFFFAOYSA-N 1 0 300.406 3.021 50 0 DGAARO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)N1CCCCC1 ZINC000127894668 431983072 /nfs/dbraw/zinc/98/30/72/431983072.db2.gz QHTXAIRQYMWABB-XQQFMLRXSA-N 1 0 306.372 3.098 50 0 DGAARO CC(=O)Oc1c(C)cc(C[N@@H+](C)[C@@H](C)c2ccncn2)cc1C ZINC000055402193 431981138 /nfs/dbraw/zinc/98/11/38/431981138.db2.gz IQWLLLGPDLKBRK-AWEZNQCLSA-N 1 0 313.401 3.212 50 0 DGAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000055385726 431981233 /nfs/dbraw/zinc/98/12/33/431981233.db2.gz FKHLUNLHQOONRB-AWEZNQCLSA-N 1 0 310.401 3.436 50 0 DGAARO OC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000055402167 431981335 /nfs/dbraw/zinc/98/13/35/431981335.db2.gz MRISSCRHVJRDNV-KRWDZBQOSA-N 1 0 311.360 3.039 50 0 DGAARO COc1ccc([C@H]2C=C(c3ccc(C)cc3)[NH+]=C3N=CNN32)cc1 ZINC000100583867 431982106 /nfs/dbraw/zinc/98/21/06/431982106.db2.gz PAAJVDGBQRSGBE-GOSISDBHSA-N 1 0 318.380 3.304 50 0 DGAARO CCn1c2[n+](c3c4ccccc4oc3c1=O)Cc1ccccc1-2 ZINC000100775131 431982599 /nfs/dbraw/zinc/98/25/99/431982599.db2.gz KEHYVZMKEBWKMX-UHFFFAOYSA-N 1 0 303.341 3.084 50 0 biogenic DGAARO CC[C@H](CO)[N@H+](Cc1ccccc1C)Cc1nc(C)ccc1O ZINC000055575726 431984297 /nfs/dbraw/zinc/98/42/97/431984297.db2.gz UECQVXXKWPJILI-QGZVFWFLSA-N 1 0 314.429 3.177 50 0 DGAARO Cc1ccccc1NC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000056519862 281351252 /nfs/dbraw/zinc/35/12/52/281351252.db2.gz PQLRPXQFTIYGNH-OFQRWUPVSA-N 1 0 303.450 3.483 50 0 DGAARO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000241884856 281358348 /nfs/dbraw/zinc/35/83/48/281358348.db2.gz SYJHXRGZSLVKDS-ATOXUGOLSA-N 1 0 305.487 3.460 50 0 DGAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H]1CCSc3ccccc31)CN2 ZINC000058304961 431995377 /nfs/dbraw/zinc/99/53/77/431995377.db2.gz DCJCYBHPVQBMKW-UKRRQHHQSA-N 1 0 314.458 3.060 50 0 DGAARO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)n1 ZINC000248983775 432333034 /nfs/dbraw/zinc/33/30/34/432333034.db2.gz DQROBIMQYHWRHP-MSOLQXFVSA-N 1 0 324.428 3.265 50 0 DGAARO C[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCc3ccccc32)C1 ZINC000252457311 432376717 /nfs/dbraw/zinc/37/67/17/432376717.db2.gz XRYPQJJGHAEXRX-YJBOKZPZSA-N 1 0 315.461 3.095 50 0 DGAARO CCCN(CCC[NH+](C)C)C(=O)Cc1c[nH]c2c1cccc2C ZINC000252478485 432377886 /nfs/dbraw/zinc/37/78/86/432377886.db2.gz ANIMJWOSOQGJSY-UHFFFAOYSA-N 1 0 315.461 3.209 50 0 DGAARO CCCOc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000252479716 432378379 /nfs/dbraw/zinc/37/83/79/432378379.db2.gz BKXQISHCAQNPMT-HOTGVXAUSA-N 1 0 318.461 3.130 50 0 DGAARO O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc[nH]c1C1CC1 ZINC000252490609 432380497 /nfs/dbraw/zinc/38/04/97/432380497.db2.gz KXTBITMYGJGLNQ-UHFFFAOYSA-N 1 0 306.369 3.212 50 0 DGAARO C[NH+]1CCC(CNC(=O)c2ccsc2)(c2ccccc2)CC1 ZINC000252510228 432380756 /nfs/dbraw/zinc/38/07/56/432380756.db2.gz ZFCHTSAXBJGHGI-UHFFFAOYSA-N 1 0 314.454 3.142 50 0 DGAARO CCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(C)c(F)c2)CC1 ZINC000252503220 432381289 /nfs/dbraw/zinc/38/12/89/432381289.db2.gz UZSCAPTYFZYNGU-UHFFFAOYSA-N 1 0 321.440 3.150 50 0 DGAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cc(C2CC2)on1 ZINC000252553123 432382827 /nfs/dbraw/zinc/38/28/27/432382827.db2.gz VGALDUHCRUXBRK-CQSZACIVSA-N 1 0 317.433 3.079 50 0 DGAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1 ZINC000252517748 432383605 /nfs/dbraw/zinc/38/36/05/432383605.db2.gz QGZDDWJPXQHTLE-JLSDUUJJSA-N 1 0 300.446 3.374 50 0 DGAARO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cccc1 ZINC000253413914 432391180 /nfs/dbraw/zinc/39/11/80/432391180.db2.gz VZLJGMLCRWPIHC-RCCFBDPRSA-N 1 0 317.477 3.066 50 0 biogenic DGAARO C/C(=C\C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000254826733 432404445 /nfs/dbraw/zinc/40/44/45/432404445.db2.gz YDYQGEWZOQCXAA-URQVRESPSA-N 1 0 318.848 3.486 50 0 DGAARO Cc1cc(C)c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)o1 ZINC000175469256 432439308 /nfs/dbraw/zinc/43/93/08/432439308.db2.gz UGOAPNWPAPPRFC-UHFFFAOYSA-N 1 0 316.401 3.226 50 0 DGAARO Cc1cnc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)s1 ZINC000185027678 432456815 /nfs/dbraw/zinc/45/68/15/432456815.db2.gz QBDBEIMPLDORHO-LBPRGKRZSA-N 1 0 303.431 3.004 50 0 DGAARO Cc1cccc(C2(C(=O)N3CC[C@@](C)(C[NH3+])C3)CCCCC2)c1 ZINC000261962204 432465231 /nfs/dbraw/zinc/46/52/31/432465231.db2.gz LAIFVVVQFZXMCB-IBGZPJMESA-N 1 0 314.473 3.394 50 0 DGAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C\c1ccccc1OC ZINC000263628829 432561254 /nfs/dbraw/zinc/56/12/54/432561254.db2.gz AZTCNWBOBKVQQX-BHEAHUASSA-N 1 0 300.446 3.267 50 0 DGAARO Clc1ccccc1OCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193997049 432515831 /nfs/dbraw/zinc/51/58/31/432515831.db2.gz GCRMLOCIEIVRDZ-ZDUSSCGKSA-N 1 0 305.809 3.322 50 0 DGAARO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000194256804 432535846 /nfs/dbraw/zinc/53/58/46/432535846.db2.gz JVKZWBUIPRTYEI-KRWDZBQOSA-N 1 0 324.509 3.208 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000195575958 432628609 /nfs/dbraw/zinc/62/86/09/432628609.db2.gz PMRZOBMWZYNEMI-SCTDSRPQSA-N 1 0 307.478 3.496 50 0 DGAARO Cc1cc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)on1 ZINC000215476938 432642657 /nfs/dbraw/zinc/64/26/57/432642657.db2.gz PMYQQHJVFSWRJA-CQSZACIVSA-N 1 0 310.401 3.314 50 0 DGAARO CCSc1ncc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)cn1 ZINC000215439036 432643118 /nfs/dbraw/zinc/64/31/18/432643118.db2.gz OBODTGPAANTINJ-OAHLLOKOSA-N 1 0 315.442 3.024 50 0 DGAARO Cc1noc(C)c1C[N@@H+](C)C[C@]1(c2ccccc2)CCOC1 ZINC000215860992 432645622 /nfs/dbraw/zinc/64/56/22/432645622.db2.gz BDDRRFGXAOMCGA-GOSISDBHSA-N 1 0 300.402 3.082 50 0 DGAARO CCOC[C@@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187115451 432646068 /nfs/dbraw/zinc/64/60/68/432646068.db2.gz CRIDXLLMCWXZIE-GFCCVEGCSA-N 1 0 306.431 3.163 50 0 DGAARO CCOC[C@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187115471 432646717 /nfs/dbraw/zinc/64/67/17/432646717.db2.gz CRIDXLLMCWXZIE-LBPRGKRZSA-N 1 0 306.431 3.163 50 0 DGAARO CCCOc1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1Cl ZINC000216267965 432648992 /nfs/dbraw/zinc/64/89/92/432648992.db2.gz CRCMSUAELFHEHS-GOEBONIOSA-N 1 0 308.853 3.265 50 0 DGAARO COc1cc(C[N@H+]2CC[C@H](OC)C2)ccc1OCC=C(C)C ZINC000216234718 432650652 /nfs/dbraw/zinc/65/06/52/432650652.db2.gz AFGCZVOEZVKZFN-INIZCTEOSA-N 1 0 305.418 3.261 50 0 DGAARO Cc1nccn1CC[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000220254898 432666033 /nfs/dbraw/zinc/66/60/33/432666033.db2.gz FUTCVQLNGOULNZ-GOSISDBHSA-N 1 0 320.396 3.148 50 0 DGAARO COc1cc(C)cc2c1OCC[C@@H]2[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000222115088 432670033 /nfs/dbraw/zinc/67/00/33/432670033.db2.gz ZRISKEDNSVQOIW-XEZPLFJOSA-N 1 0 305.418 3.373 50 0 DGAARO CCCCc1nc(CN2CCCC[C@H]2c2nccn2CC)no1 ZINC000225520289 432692922 /nfs/dbraw/zinc/69/29/22/432692922.db2.gz YAUINJHBXNIVBM-AWEZNQCLSA-N 1 0 317.437 3.356 50 0 DGAARO CSc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)s1 ZINC000225836630 432700836 /nfs/dbraw/zinc/70/08/36/432700836.db2.gz JTXKAQQFBBKFKG-JSGCOSHPSA-N 1 0 323.487 3.213 50 0 DGAARO OCc1ccccc1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000221775377 432670388 /nfs/dbraw/zinc/67/03/88/432670388.db2.gz ZBBVEGUQMVNHJJ-KRWDZBQOSA-N 1 0 301.361 3.322 50 0 DGAARO [NH3+][C@H](C(=O)N[C@@H]1C[C@@H]1c1ccccc1F)c1cccc(Cl)c1 ZINC000225330940 432690259 /nfs/dbraw/zinc/69/02/59/432690259.db2.gz ZPKJQJGUPJQUGY-BMFZPTHFSA-N 1 0 318.779 3.151 50 0 DGAARO Cc1csc2c1ncnc2N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000225455896 432690713 /nfs/dbraw/zinc/69/07/13/432690713.db2.gz IMXLXOBITOLQDK-GFCCVEGCSA-N 1 0 302.447 3.429 50 0 DGAARO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(Cl)cc2F)C1(C)C ZINC000225455589 432691455 /nfs/dbraw/zinc/69/14/55/432691455.db2.gz YITARIUEXMTVBH-GDBMZVCRSA-N 1 0 315.816 3.135 50 0 DGAARO CC[C@H](c1ccccn1)[N@H+](C)CCC(=O)NC1CCCCC1 ZINC000243915061 432820105 /nfs/dbraw/zinc/82/01/05/432820105.db2.gz BMIZCOHLXGPROC-QGZVFWFLSA-N 1 0 303.450 3.304 50 0 DGAARO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)n1 ZINC000244734355 432822354 /nfs/dbraw/zinc/82/23/54/432822354.db2.gz NEALQQLLXPNKIB-OAHLLOKOSA-N 1 0 308.385 3.444 50 0 DGAARO CC[C@H]([NH2+]C1CCN(c2ccc(Cl)cc2)CC1)[C@H]1C[C@H](O)C1 ZINC000244787714 432823661 /nfs/dbraw/zinc/82/36/61/432823661.db2.gz QCETYZDVZITRCT-KKXDTOCCSA-N 1 0 322.880 3.448 50 0 DGAARO c1ccc(CC[C@@H]2CCCCN2Cc2nnc(C3CC3)o2)nc1 ZINC000244811575 432823959 /nfs/dbraw/zinc/82/39/59/432823959.db2.gz SHCOJZRKGXDDCZ-INIZCTEOSA-N 1 0 312.417 3.329 50 0 DGAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc2[nH]ccc21 ZINC000245426285 432829179 /nfs/dbraw/zinc/82/91/79/432829179.db2.gz FVYOIUVRTZRPIJ-KBPBESRZSA-N 1 0 312.417 3.258 50 0 DGAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CCc2ccccc2)C1 ZINC000179003495 432794597 /nfs/dbraw/zinc/79/45/97/432794597.db2.gz LZRMSNISEMOYFQ-SFHVURJKSA-N 1 0 322.452 3.153 50 0 DGAARO CC1(C)CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)O1 ZINC000189713759 432813395 /nfs/dbraw/zinc/81/33/95/432813395.db2.gz LAWKGTZGRLRFMT-CYBMUJFWSA-N 1 0 303.381 3.263 50 0 DGAARO CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000239359627 432814969 /nfs/dbraw/zinc/81/49/69/432814969.db2.gz AEYFRRUMEQUPLU-YJBOKZPZSA-N 1 0 302.418 3.092 50 0 DGAARO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000241326130 432815837 /nfs/dbraw/zinc/81/58/37/432815837.db2.gz LZMBKABBWSXSDN-RRQGHBQHSA-N 1 0 308.491 3.167 50 0 DGAARO CN(CC[NH+](C)C)C(=O)c1cccc(-c2cc(F)ccc2F)c1 ZINC000299792611 433387473 /nfs/dbraw/zinc/38/74/73/433387473.db2.gz GHYSYRWDGFTKTN-UHFFFAOYSA-N 1 0 318.367 3.265 50 0 DGAARO CCn1ncc(C[N@H+](C)Cc2cc3cc(C)ccc3[nH]c2=O)c1C ZINC000426361177 433474152 /nfs/dbraw/zinc/47/41/52/433474152.db2.gz DKFTUBVNPWDQDS-UHFFFAOYSA-N 1 0 324.428 3.406 50 0 DGAARO Cc1cc(F)ccc1-c1cccc(C(=O)N[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000426477798 433511235 /nfs/dbraw/zinc/51/12/35/433511235.db2.gz XHBOKMBAEWABSV-SJORKVTESA-N 1 0 312.388 3.411 50 0 DGAARO O=C(CC1=CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000426503231 433516545 /nfs/dbraw/zinc/51/65/45/433516545.db2.gz GQXAKHPVTFOJHC-GOSISDBHSA-N 1 0 316.420 3.407 50 0 DGAARO C[C@H]1C[NH2+]CCN1Cc1ccc(OCCc2ccccc2)cc1 ZINC000426545101 433527089 /nfs/dbraw/zinc/52/70/89/433527089.db2.gz QPTKCWRHAVUDHR-KRWDZBQOSA-N 1 0 310.441 3.102 50 0 DGAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](C/C=C/c3ccccc3)[C@H]2C1 ZINC000426534555 433528187 /nfs/dbraw/zinc/52/81/87/433528187.db2.gz XQQDGMHNCDJTQU-FFZBJVEFSA-N 1 0 301.430 3.358 50 0 DGAARO COCc1nnc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)[nH]1 ZINC000426668968 433557135 /nfs/dbraw/zinc/55/71/35/433557135.db2.gz IIIQLFYJNJUSHP-CYBMUJFWSA-N 1 0 300.406 3.165 50 0 DGAARO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414531611 433698510 /nfs/dbraw/zinc/69/85/10/433698510.db2.gz GRALEBLDDVQFKB-QBYUYEEZSA-N 1 0 305.466 3.302 50 0 DGAARO O=C1CC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C2(CCC2)N1 ZINC000367680956 293089480 /nfs/dbraw/zinc/08/94/80/293089480.db2.gz CAIFTWBHVFPYKL-VDSRIPIWSA-N 1 0 320.383 3.002 50 0 DGAARO CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CC1(C)C ZINC000417327000 434354735 /nfs/dbraw/zinc/35/47/35/434354735.db2.gz GRSAGJFQEMOXNW-QBYUYEEZSA-N 1 0 305.466 3.302 50 0 DGAARO CCn1nncc1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000417962059 434556647 /nfs/dbraw/zinc/55/66/47/434556647.db2.gz BUPSWAHAOAUNFG-INIZCTEOSA-N 1 0 300.381 3.163 50 0 DGAARO C[NH+]1CCC2(CCN(c3ccnc(-c4ccccc4)n3)C2)CC1 ZINC000408523143 434587844 /nfs/dbraw/zinc/58/78/44/434587844.db2.gz HGGMGANCTUMKER-UHFFFAOYSA-N 1 0 308.429 3.066 50 0 DGAARO FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000408519479 434584772 /nfs/dbraw/zinc/58/47/72/434584772.db2.gz CUMBZFVHWVNZOX-ZIAGYGMSSA-N 1 0 324.419 3.229 50 0 DGAARO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CC2CCC1CC2 ZINC000563273795 315097147 /nfs/dbraw/zinc/09/71/47/315097147.db2.gz VZPICZAZYVYAGB-OQFSNYMVSA-N 1 0 317.477 3.302 50 0 DGAARO CSc1cccc(F)c1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000578007438 316293313 /nfs/dbraw/zinc/29/33/13/316293313.db2.gz QDRGQAPNENJXRY-AWEZNQCLSA-N 1 0 305.418 3.241 50 0 DGAARO OC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(C(F)(F)F)cc1 ZINC000097371077 323210490 /nfs/dbraw/zinc/21/04/90/323210490.db2.gz CFDTTZDAUOGONI-CHWSQXEVSA-N 1 0 305.365 3.224 50 0 DGAARO Cn1c(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)nnc1C1CCC1 ZINC000124141453 323212037 /nfs/dbraw/zinc/21/20/37/323212037.db2.gz JTEMFVSIYOGCOL-NWDGAFQWSA-N 1 0 316.371 3.293 50 0 DGAARO C[S@](=O)C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000154694669 323213822 /nfs/dbraw/zinc/21/38/22/323213822.db2.gz XQWXQGFOMPRAOV-XMSQKQJNSA-N 1 0 312.438 3.377 50 0 DGAARO C[C@H](C[NH+]1CCC(OC[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000195573461 323492548 /nfs/dbraw/zinc/49/25/48/323492548.db2.gz JDEQKWVWWXOPSE-CVEARBPZSA-N 1 0 321.436 3.447 50 0 DGAARO Fc1cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)ccc1-n1cncn1 ZINC000582341233 324217684 /nfs/dbraw/zinc/21/76/84/324217684.db2.gz XZPFMHJKCNCRNY-QAPCUYQASA-N 1 0 312.392 3.027 50 0 DGAARO Cc1ncc([C@H](C)[NH2+]C[C@]2(O)CCCc3ccccc32)s1 ZINC000090409031 332087932 /nfs/dbraw/zinc/08/79/32/332087932.db2.gz NMUZASMSHDVDLU-YVEFUNNKSA-N 1 0 302.443 3.326 50 0 DGAARO CC(C)C(=O)c1c(-c2ccccc2)n(O)c2ccccc2[n+]1=O ZINC000526055760 333061595 /nfs/dbraw/zinc/06/15/95/333061595.db2.gz VXAAVBOTQPQXIQ-UHFFFAOYSA-N 1 0 309.345 3.299 50 0 DGAARO Cc1ccc(N2CCC([NH2+]Cc3cc[nH]n3)CC2)cc1Cl ZINC000534643818 334306336 /nfs/dbraw/zinc/30/63/36/334306336.db2.gz OIZCTGSSDDUSER-UHFFFAOYSA-N 1 0 304.825 3.130 50 0 DGAARO CCCC[C@H](NC(=O)C1(Cn2ccnc2)CC1)c1cccnc1 ZINC000534638491 334310269 /nfs/dbraw/zinc/31/02/69/334310269.db2.gz YNDVMNWHWSHOEV-INIZCTEOSA-N 1 0 312.417 3.106 50 0 DGAARO Cc1ccsc1CN(C(=O)N[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000534667436 334319073 /nfs/dbraw/zinc/31/90/73/334319073.db2.gz 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Cc1ccsc1CN1CC([N@@H+](CC(C)C)C2CCOCC2)C1 ZINC000581794457 1092278251 /nfs/dbraw/zinc/27/82/51/1092278251.db2.gz FGHGUFLTSDOZMZ-UHFFFAOYSA-N 1 0 322.518 3.378 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000581806975 1092279701 /nfs/dbraw/zinc/27/97/01/1092279701.db2.gz GBACEUNCQMDDFH-OAHLLOKOSA-N 1 0 324.428 3.016 50 0 DGAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000581808126 1092279983 /nfs/dbraw/zinc/27/99/83/1092279983.db2.gz UWNCTBICJBXARI-GOSISDBHSA-N 1 0 323.440 3.475 50 0 DGAARO Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000581813716 1092284898 /nfs/dbraw/zinc/28/48/98/1092284898.db2.gz GSJADKHZIFQQKN-HNNXBMFYSA-N 1 0 324.428 3.016 50 0 DGAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000581813717 1092285118 /nfs/dbraw/zinc/28/51/18/1092285118.db2.gz GSJADKHZIFQQKN-OAHLLOKOSA-N 1 0 324.428 3.016 50 0 DGAARO Cc1c[nH+]c(C)n1C[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000581813687 1092286188 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COc1ccccc1-c1cnnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000952879441 1096785498 /nfs/dbraw/zinc/78/54/98/1096785498.db2.gz QTUHVAGTDGFHJQ-JKSUJKDBSA-N 1 0 324.428 3.191 50 0 DGAARO C[C@H]1C[C@@H](CN2CCc3nc[nH]c3C23CCCCC3)CCO1 ZINC000952884330 1096787517 /nfs/dbraw/zinc/78/75/17/1096787517.db2.gz YDZKFDIVHAQHNP-GJZGRUSLSA-N 1 0 303.450 3.242 50 0 DGAARO Cc1noc(C)c1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000046734772 1097907396 /nfs/dbraw/zinc/90/73/96/1097907396.db2.gz PULBGHMYJJHNBY-UHFFFAOYSA-N 1 0 313.401 3.068 50 0 DGAARO S=C(Nc1cccc2ccccc21)N[C@H]1C[NH+]2CCC1CC2 ZINC000005594010 1103856795 /nfs/dbraw/zinc/85/67/95/1103856795.db2.gz NAPCKZRPMNGOMR-KRWDZBQOSA-N 1 0 311.454 3.220 50 0 DGAARO CCOCC1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095528256 185378267 /nfs/dbraw/zinc/37/82/67/185378267.db2.gz BCBGDCTZALDRFX-QGZVFWFLSA-N 1 0 303.446 3.376 50 0 DGAARO C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@H]1[NH+](C)C ZINC000078894697 185123884 /nfs/dbraw/zinc/12/38/84/185123884.db2.gz 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C[C@H]([NH2+]C1CCOCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000095420566 185360021 /nfs/dbraw/zinc/36/00/21/185360021.db2.gz GDBMNUAUZMGCPH-NSHDSACASA-N 1 0 303.324 3.457 50 0 DGAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000095420498 185360092 /nfs/dbraw/zinc/36/00/92/185360092.db2.gz WNNDRCJAHWBGGP-JSGCOSHPSA-N 1 0 318.358 3.231 50 0 DGAARO C[C@H](Cc1nc2ccccc2s1)[NH2+]C[C@@H](O)c1ccco1 ZINC000095419741 185360138 /nfs/dbraw/zinc/36/01/38/185360138.db2.gz YYMOHOUTQOEVLE-DGCLKSJQSA-N 1 0 302.399 3.144 50 0 DGAARO Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000095420310 185360293 /nfs/dbraw/zinc/36/02/93/185360293.db2.gz DKQVAJMIVFDCPA-GOSISDBHSA-N 1 0 311.404 3.467 50 0 DGAARO Cc1nc(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)sc1C ZINC000095423524 185361257 /nfs/dbraw/zinc/36/12/57/185361257.db2.gz VFMROWHHQQAYRH-LBPRGKRZSA-N 1 0 309.479 3.031 50 0 DGAARO C[N@@H+]1CCC[C@H]2CN(C(=O)CCCSC(C)(C)C)CC[C@H]21 ZINC000095436251 185364959 /nfs/dbraw/zinc/36/49/59/185364959.db2.gz 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/nfs/dbraw/zinc/36/99/18/185369918.db2.gz AWIOUDUAJVVFAP-GOSISDBHSA-N 1 0 302.418 3.387 50 0 DGAARO CC(C)c1ccc(C2(C(=O)N3CC[C@H]([NH3+])C3)CCCC2)cc1 ZINC000097019625 185398053 /nfs/dbraw/zinc/39/80/53/185398053.db2.gz BXDXUORFBNTINO-KRWDZBQOSA-N 1 0 300.446 3.181 50 0 DGAARO OC[C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)Cc1ccccn1 ZINC000097033381 185399680 /nfs/dbraw/zinc/39/96/80/185399680.db2.gz MOTLNXHLNAOIFQ-AUUYWEPGSA-N 1 0 314.404 3.039 50 0 DGAARO CC[NH+](CC)CCNC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968273 432010017 /nfs/dbraw/zinc/01/00/17/432010017.db2.gz ZABBHADSJSTUJO-UHFFFAOYSA-N 1 0 303.406 3.023 50 0 DGAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(OC)c(-c3ccccc3)c2)C1 ZINC000299738536 529992835 /nfs/dbraw/zinc/99/28/35/529992835.db2.gz CBBJUOQDJCGXAK-HNNXBMFYSA-N 1 0 324.424 3.044 50 0 DGAARO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C(\C)C1CC1 ZINC000103867888 432012947 /nfs/dbraw/zinc/01/29/47/432012947.db2.gz WOGUHXYSPUZWAM-NTCAYCPXSA-N 1 0 300.446 3.453 50 0 DGAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000105895508 432019629 /nfs/dbraw/zinc/01/96/29/432019629.db2.gz NQSLSQSDXKLHED-SJORKVTESA-N 1 0 317.408 3.047 50 0 DGAARO O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000068589810 304007832 /nfs/dbraw/zinc/00/78/32/304007832.db2.gz MNKDMSOCNQOAOK-KRWDZBQOSA-N 1 0 301.434 3.463 50 0 DGAARO CCn1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cn1 ZINC000083843573 192384763 /nfs/dbraw/zinc/38/47/63/192384763.db2.gz UALRWTJEZFIUCU-AWEZNQCLSA-N 1 0 309.417 3.248 50 0 DGAARO Cc1ccc2ncccc2c1-c1nccn1C[C@@H]1CC[N@@H+](C)C1 ZINC000071748237 191021289 /nfs/dbraw/zinc/02/12/89/191021289.db2.gz ICGXEMYUJVFMQV-OAHLLOKOSA-N 1 0 306.413 3.358 50 0 DGAARO CCOCC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071763752 191027716 /nfs/dbraw/zinc/02/77/16/191027716.db2.gz AHMWJBYMKLPELU-IBGZPJMESA-N 1 0 322.468 3.395 50 0 DGAARO C[C@@H](c1cccc(-c2nccn2CCc2cn[nH]c2)c1)[NH+](C)C ZINC000071765168 191028268 /nfs/dbraw/zinc/02/82/68/191028268.db2.gz 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/nfs/dbraw/zinc/05/69/39/191056939.db2.gz QZQJUZSESUGWJF-GOSISDBHSA-N 1 0 314.385 3.240 50 0 DGAARO CN1C[C@@]2(CCC[N@H+](Cc3ccc4occc4c3)CC2)OC1=O ZINC000072153154 191057212 /nfs/dbraw/zinc/05/72/12/191057212.db2.gz QZQJUZSESUGWJF-SFHVURJKSA-N 1 0 314.385 3.240 50 0 DGAARO COc1ccc(-c2n[nH]cc2C[NH+]2CC(c3ccccn3)C2)cc1 ZINC000072156410 191059518 /nfs/dbraw/zinc/05/95/18/191059518.db2.gz BUNDYZUYKVXQNA-UHFFFAOYSA-N 1 0 320.396 3.080 50 0 DGAARO C[C@@H]1C[N@@H+](CCCNc2cc(Cl)c3cc[nH]c3n2)C[C@H](C)O1 ZINC000072154959 191059564 /nfs/dbraw/zinc/05/95/64/191059564.db2.gz NQJPSRJZJKYPLN-TXEJJXNPSA-N 1 0 322.840 3.128 50 0 DGAARO OCC[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072161126 191062834 /nfs/dbraw/zinc/06/28/34/191062834.db2.gz IDMCMXOFSLMIIJ-ZDUSSCGKSA-N 1 0 301.352 3.342 50 0 DGAARO CCCCOC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000072166982 191067071 /nfs/dbraw/zinc/06/70/71/191067071.db2.gz HIVNBXUWTASOHS-OAHLLOKOSA-N 1 0 308.397 3.316 50 0 DGAARO Cc1nc(C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)cc(=O)[nH]1 ZINC000072172724 191069390 /nfs/dbraw/zinc/06/93/90/191069390.db2.gz FDVFEWCAUPYRJG-CQSZACIVSA-N 1 0 311.429 3.474 50 0 DGAARO CCn1nc(C)c2nc(C(C)C)nc(NCC[NH+](CC)CC)c21 ZINC000072238352 191082345 /nfs/dbraw/zinc/08/23/45/191082345.db2.gz FMHJRVSXTGFHHT-UHFFFAOYSA-N 1 0 318.469 3.032 50 0 DGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000072298424 191113322 /nfs/dbraw/zinc/11/33/22/191113322.db2.gz RLCILXMCEDSTCS-QGZVFWFLSA-N 1 0 315.417 3.087 50 0 DGAARO COc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1NC(C)=O ZINC000225594163 186281082 /nfs/dbraw/zinc/28/10/82/186281082.db2.gz GZIDLVHUQNGKJY-QGZVFWFLSA-N 1 0 302.418 3.466 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000237495728 186297050 /nfs/dbraw/zinc/29/70/50/186297050.db2.gz UDIWNJRHHGIEFV-WCQYABFASA-N 1 0 317.820 3.088 50 0 DGAARO C(CO[C@@H]1CCCCO1)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000253392943 186303454 /nfs/dbraw/zinc/30/34/54/186303454.db2.gz KJMRELGFQMPLRR-LJQANCHMSA-N 1 0 324.509 3.118 50 0 DGAARO C(CO[C@H]1CCCCO1)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000253392939 186303766 /nfs/dbraw/zinc/30/37/66/186303766.db2.gz KJMRELGFQMPLRR-IBGZPJMESA-N 1 0 324.509 3.118 50 0 DGAARO CCOC(=O)C1CC[NH+](Cc2ccccc2OCC(C)C)CC1 ZINC000072313428 191120227 /nfs/dbraw/zinc/12/02/27/191120227.db2.gz XRKDJQRFIGJCHL-UHFFFAOYSA-N 1 0 319.445 3.497 50 0 DGAARO Cc1nc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)co1 ZINC000072421060 191158051 /nfs/dbraw/zinc/15/80/51/191158051.db2.gz NZTJMWUEPFGFQS-UHFFFAOYSA-N 1 0 315.461 3.069 50 0 DGAARO Cn1cc(C[NH2+]C2CCOCC2)c(-c2cc3ccccc3o2)n1 ZINC000067220180 432028284 /nfs/dbraw/zinc/02/82/84/432028284.db2.gz WCMPCEWUPLZQQM-UHFFFAOYSA-N 1 0 311.385 3.102 50 0 DGAARO C[C@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCCC1 ZINC000000169321 180713636 /nfs/dbraw/zinc/71/36/36/180713636.db2.gz GHRBREPMRJCPLY-QGZVFWFLSA-N 1 0 314.473 3.489 50 0 DGAARO C[NH+](C)CCSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000072737935 191223917 /nfs/dbraw/zinc/22/39/17/191223917.db2.gz MHIGYSSHPIIZKX-UHFFFAOYSA-N 1 0 317.458 3.165 50 0 DGAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000107323496 432029916 /nfs/dbraw/zinc/02/99/16/432029916.db2.gz WQZQGTULKCMQNF-UVWXRNBGSA-N 1 0 312.816 3.387 50 0 DGAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000067419379 432030648 /nfs/dbraw/zinc/03/06/48/432030648.db2.gz SVFWRDXGXQOLAD-CYBMUJFWSA-N 1 0 314.351 3.054 50 0 DGAARO COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067473361 432031419 /nfs/dbraw/zinc/03/14/19/432031419.db2.gz XRLDJYUSHPITQQ-MRXNPFEDSA-N 1 0 318.461 3.167 50 0 DGAARO CCOc1c(C[NH2+]C2CSCCSC2)cccc1OC ZINC000067562204 432032602 /nfs/dbraw/zinc/03/26/02/432032602.db2.gz ULEBRBNUXYBJOF-UHFFFAOYSA-N 1 0 313.488 3.032 50 0 DGAARO C[C@H](Cc1ccccc1)NC(=O)CC[NH2+][C@@H](C)Cc1ccccc1 ZINC000002116126 180910653 /nfs/dbraw/zinc/91/06/53/180910653.db2.gz QYOZODNWEZVAND-ZWKOTPCHSA-N 1 0 324.468 3.345 50 0 biogenic DGAARO CO[C@H](C)c1ccc(-c2ccc(NC(=O)C[NH3+])c(F)c2)cc1 ZINC000067559947 432033034 /nfs/dbraw/zinc/03/30/34/432033034.db2.gz MSGXVEOTQWDKLM-LLVKDONJSA-N 1 0 302.349 3.097 50 0 DGAARO CCOc1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]C3)n2)cc1OCC ZINC000067641617 432033831 /nfs/dbraw/zinc/03/38/31/432033831.db2.gz HXHCBNDNQQCWSU-CQSZACIVSA-N 1 0 315.417 3.341 50 0 DGAARO CC(C)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1F ZINC000182136740 199392410 /nfs/dbraw/zinc/39/24/10/199392410.db2.gz ARZOXSNVATYEHM-IINYFYTJSA-N 1 0 321.845 3.199 50 0 DGAARO CC[C@H](C)[NH2+]CCOc1ccccc1I ZINC000002824895 180961819 /nfs/dbraw/zinc/96/18/19/180961819.db2.gz VAPDYULGVONTSA-JTQLQIEISA-N 1 0 319.186 3.058 50 0 DGAARO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000067691750 432035787 /nfs/dbraw/zinc/03/57/87/432035787.db2.gz XUJSGSPDFGKHIW-OAHLLOKOSA-N 1 0 309.413 3.427 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000003318015 181004526 /nfs/dbraw/zinc/00/45/26/181004526.db2.gz ZRDUFXALZTZLEF-NSHDSACASA-N 1 0 315.845 3.250 50 0 DGAARO C[NH+](C)C1(CNC(=O)c2cc3c(s2)CCC3)CCCCC1 ZINC000003420318 181017408 /nfs/dbraw/zinc/01/74/08/181017408.db2.gz OMKVUMRBPYHSMC-UHFFFAOYSA-N 1 0 306.475 3.231 50 0 DGAARO O=C(c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004133647 181077132 /nfs/dbraw/zinc/07/71/32/181077132.db2.gz KJEAZMMNNREOQT-OAHLLOKOSA-N 1 0 318.848 3.454 50 0 DGAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000004311518 181095851 /nfs/dbraw/zinc/09/58/51/181095851.db2.gz VQLPEFMVRAUFFW-KFWWJZLASA-N 1 0 310.235 3.405 50 0 DGAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000004311519 181096081 /nfs/dbraw/zinc/09/60/81/181096081.db2.gz VQLPEFMVRAUFFW-ILXRZTDVSA-N 1 0 310.235 3.405 50 0 biogenic DGAARO C[C@@H](C[NH+](C)C)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067772318 432038804 /nfs/dbraw/zinc/03/88/04/432038804.db2.gz POGGACZFUWJRAZ-LBPRGKRZSA-N 1 0 321.371 3.192 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000004723249 181142174 /nfs/dbraw/zinc/14/21/74/181142174.db2.gz HRGWHJOIGDCKQT-GASCZTMLSA-N 1 0 318.436 3.408 50 0 DGAARO CSc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000004741623 181145230 /nfs/dbraw/zinc/14/52/30/181145230.db2.gz ZDQCXXMCGVTOOJ-CQSZACIVSA-N 1 0 309.398 3.045 50 0 DGAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC000004746268 181146778 /nfs/dbraw/zinc/14/67/78/181146778.db2.gz FSRBVJHOSUMFQA-SFHVURJKSA-N 1 0 300.446 3.220 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000004744076 181146264 /nfs/dbraw/zinc/14/62/64/181146264.db2.gz MZVZIWRCKNRMNB-HOTGVXAUSA-N 1 0 300.446 3.269 50 0 DGAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000163831873 432043588 /nfs/dbraw/zinc/04/35/88/432043588.db2.gz NFQDMUWPNNUQSK-KRWDZBQOSA-N 1 0 310.441 3.370 50 0 DGAARO O=C1C[C@@H]([NH2+]CC2CCCCC2)C(=O)N1c1cccc(Cl)c1 ZINC000004978317 181183497 /nfs/dbraw/zinc/18/34/97/181183497.db2.gz SMDFQCQJYZZCDK-OAHLLOKOSA-N 1 0 320.820 3.142 50 0 DGAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000075572713 191493588 /nfs/dbraw/zinc/49/35/88/191493588.db2.gz MVYIVVBGOJMVDA-YJBOKZPZSA-N 1 0 312.413 3.035 50 0 DGAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCCCCC1 ZINC000005046998 181196329 /nfs/dbraw/zinc/19/63/29/181196329.db2.gz YNWMNHOJYFOXBK-KRWDZBQOSA-N 1 0 318.436 3.440 50 0 DGAARO CCOc1cc(C[NH2+][C@@H](CC)CO)c(Cl)cc1OC(C)C ZINC000005064632 181199570 /nfs/dbraw/zinc/19/95/70/181199570.db2.gz QXWYBPQLLVWQGI-ZDUSSCGKSA-N 1 0 315.841 3.386 50 0 DGAARO CC[NH+](CC)CCN(C(C)=O)c1nc2ccc(F)cc2s1 ZINC000005121847 181205812 /nfs/dbraw/zinc/20/58/12/181205812.db2.gz ZKDYAOZIBFKMBK-UHFFFAOYSA-N 1 0 309.410 3.130 50 0 DGAARO CC[N@@H+](Cc1ccc2c(C)cc(=O)oc2c1)CC1CCOCC1 ZINC000067982979 432048882 /nfs/dbraw/zinc/04/88/82/432048882.db2.gz GXWWTASTSMSVDJ-UHFFFAOYSA-N 1 0 315.413 3.350 50 0 DGAARO Cc1ccc2[nH]c3c(ncnc3NCC[NH+]3CCCCC3)c2c1 ZINC000005164730 181212516 /nfs/dbraw/zinc/21/25/16/181212516.db2.gz QCRHBTVWHSDVSW-UHFFFAOYSA-N 1 0 309.417 3.317 50 0 DGAARO CCCCNc1ncnc2c1c(C)c(C)n2CCC[NH+](C)C ZINC000005346487 181232131 /nfs/dbraw/zinc/23/21/31/181232131.db2.gz NUBAUFIBDPNZNB-UHFFFAOYSA-N 1 0 303.454 3.212 50 0 DGAARO CCOc1ccccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000236937428 202080168 /nfs/dbraw/zinc/08/01/68/202080168.db2.gz RDTYJBWGDJANTB-CYBMUJFWSA-N 1 0 316.367 3.059 50 0 DGAARO C[C@H](C[N@@H+]1CCOCC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000170603114 432073764 /nfs/dbraw/zinc/07/37/64/432073764.db2.gz CLPPBBXPSJUSDT-OAHLLOKOSA-N 1 0 307.409 3.058 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000005920641 181296252 /nfs/dbraw/zinc/29/62/52/181296252.db2.gz IUTJVXMQOKJXEE-CZUORRHYSA-N 1 0 305.805 3.431 50 0 DGAARO Cc1cccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)c1C ZINC000089686433 192842815 /nfs/dbraw/zinc/84/28/15/192842815.db2.gz XHBPSNBHKIVYID-UHFFFAOYSA-N 1 0 323.484 3.495 50 0 DGAARO Cc1ccc2cc(C[NH+]3CCC(Cn4ccnn4)CC3)ccc2n1 ZINC000187477678 200117775 /nfs/dbraw/zinc/11/77/75/200117775.db2.gz QQRXQEUBJDRXIV-UHFFFAOYSA-N 1 0 321.428 3.047 50 0 DGAARO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000188134228 200199207 /nfs/dbraw/zinc/19/92/07/200199207.db2.gz JTMVQGCNLRJJCZ-HIFRSBDPSA-N 1 0 317.383 3.159 50 0 DGAARO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cc2ccccc2s1 ZINC000188158142 200202349 /nfs/dbraw/zinc/20/23/49/200202349.db2.gz ZMBNVSAEEDDTAS-NWDGAFQWSA-N 1 0 311.472 3.375 50 0 DGAARO Clc1ccc(N2CC[C@@H]([NH2+]Cc3ncc[nH]3)C2)c(Cl)c1 ZINC000188935183 200324912 /nfs/dbraw/zinc/32/49/12/200324912.db2.gz YMQWNKADEBLXPL-LLVKDONJSA-N 1 0 311.216 3.085 50 0 DGAARO CSc1cccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000426641463 237978272 /nfs/dbraw/zinc/97/82/72/237978272.db2.gz GQZFLGSSDPVOOO-OAHLLOKOSA-N 1 0 321.490 3.034 50 0 DGAARO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cs2)C12CCOCC2 ZINC000193218594 201007750 /nfs/dbraw/zinc/00/77/50/201007750.db2.gz NXRAOAJFVFTMGH-KBPBESRZSA-N 1 0 315.866 3.465 50 0 DGAARO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cs1)CC2 ZINC000194411234 201222197 /nfs/dbraw/zinc/22/21/97/201222197.db2.gz PPBIWEWVGPZKSX-KBPBESRZSA-N 1 0 315.866 3.153 50 0 DGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)C2CCCCC2)o1 ZINC000069170629 283725852 /nfs/dbraw/zinc/72/58/52/283725852.db2.gz TYJAWCGQILGNRP-HNNXBMFYSA-N 1 0 303.406 3.009 50 0 DGAARO CC1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000006626700 181362181 /nfs/dbraw/zinc/36/21/81/181362181.db2.gz XNAUUUQEFOMMGM-QWFMPGPPSA-N 1 0 311.853 3.386 50 0 DGAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(CC)cc2)CC1 ZINC000006703248 181374227 /nfs/dbraw/zinc/37/42/27/181374227.db2.gz IRGZCZHDAIOPDU-UHFFFAOYSA-N 1 0 319.445 3.293 50 0 DGAARO C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000449338301 240139255 /nfs/dbraw/zinc/13/92/55/240139255.db2.gz VAQHGYMNCCVPMO-GOEBONIOSA-N 1 0 302.393 3.466 50 0 DGAARO CCOC(=O)C1CC[NH+](CCCOc2ccccc2C)CC1 ZINC000006703918 181374889 /nfs/dbraw/zinc/37/48/89/181374889.db2.gz VGCASVNUAFKGAW-UHFFFAOYSA-N 1 0 305.418 3.039 50 0 DGAARO COc1cc(C[NH2+]CCO)ccc1OCc1cccc(Cl)c1 ZINC000006703722 181375071 /nfs/dbraw/zinc/37/50/71/181375071.db2.gz RONPWIQTVIOADS-UHFFFAOYSA-N 1 0 321.804 3.010 50 0 DGAARO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC(N)=O)c1ccccc1 ZINC000006747535 181382660 /nfs/dbraw/zinc/38/26/60/181382660.db2.gz YLMYZHCFGYVRAT-GFCCVEGCSA-N 1 0 318.804 3.055 50 0 DGAARO Cn1c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc2n(C)c1=O ZINC000006857413 181398645 /nfs/dbraw/zinc/39/86/45/181398645.db2.gz SWTXLNNFRJALPN-UHFFFAOYSA-N 1 0 303.450 3.181 50 0 DGAARO c1ccc(C[N@@H+]2CCC[C@]3(CCCN(c4ccncn4)C3)C2)cc1 ZINC000091350495 193044937 /nfs/dbraw/zinc/04/49/37/193044937.db2.gz BUNRGDIOVOJVIH-FQEVSTJZSA-N 1 0 322.456 3.359 50 0 DGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc3ncccc31)C2 ZINC000091364443 193045745 /nfs/dbraw/zinc/04/57/45/193045745.db2.gz JPWZNGNDBMILOG-HZPDHXFCSA-N 1 0 323.440 3.181 50 0 DGAARO CN(Cc1cccc2cnccc21)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000091518875 193067867 /nfs/dbraw/zinc/06/78/67/193067867.db2.gz SOOVCTRAFNZXNL-GOSISDBHSA-N 1 0 311.429 3.068 50 0 DGAARO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)o1 ZINC000091664130 193087007 /nfs/dbraw/zinc/08/70/07/193087007.db2.gz IRGXUMLFDDNKPC-FUHWJXTLSA-N 1 0 311.429 3.079 50 0 DGAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)o1 ZINC000091678506 193090725 /nfs/dbraw/zinc/09/07/25/193090725.db2.gz SSLGPQKMBKCSQZ-ZWKOTPCHSA-N 1 0 324.424 3.211 50 0 DGAARO Cc1csc([C@@H](C)N(C)C(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000091725956 193097951 /nfs/dbraw/zinc/09/79/51/193097951.db2.gz FVFLVRUFVUACJX-CYBMUJFWSA-N 1 0 309.479 3.091 50 0 DGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1cnc3ccccc3n1)C2 ZINC000091736257 193098937 /nfs/dbraw/zinc/09/89/37/193098937.db2.gz BEWRLJDMGKTJHO-IAGOWNOFSA-N 1 0 322.456 3.497 50 0 DGAARO COc1cc(CN2CCC[C@H]([NH3+])C2)c(Cl)cc1OC(C)C ZINC000215037579 201448392 /nfs/dbraw/zinc/44/83/92/201448392.db2.gz OPHIGHKCPUOOQG-ZDUSSCGKSA-N 1 0 312.841 3.059 50 0 DGAARO CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)s1 ZINC000092071330 193154079 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CCS[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC000095990119 193481062 /nfs/dbraw/zinc/48/10/62/193481062.db2.gz YIZKPLWZCDNGCI-HZPDHXFCSA-N 1 0 316.474 3.246 50 0 DGAARO COc1cc(OC)c2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008717252 181578415 /nfs/dbraw/zinc/57/84/15/181578415.db2.gz CAUQVBYPIAJPHL-UHFFFAOYSA-N 1 0 316.401 3.252 50 0 DGAARO Fc1cc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c2c(c1)COCO2 ZINC000014171211 181932827 /nfs/dbraw/zinc/93/28/27/181932827.db2.gz PRENALXQZIRXBZ-OKILXGFUSA-N 1 0 322.405 3.196 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(C)c2C)CC1 ZINC000016603061 182051753 /nfs/dbraw/zinc/05/17/53/182051753.db2.gz SMGPEGVKISCIBL-INIZCTEOSA-N 1 0 318.461 3.061 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000016604220 182052423 /nfs/dbraw/zinc/05/24/23/182052423.db2.gz OOGPQWXGFUUJLV-CYBMUJFWSA-N 1 0 320.502 3.476 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000016603943 182052705 /nfs/dbraw/zinc/05/27/05/182052705.db2.gz NNTBYPNWBZNDFP-CYBMUJFWSA-N 1 0 320.502 3.477 50 0 DGAARO O=C(CCc1cccs1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000019146107 182105847 /nfs/dbraw/zinc/10/58/47/182105847.db2.gz BMPRQHGLAQLOJJ-HNNXBMFYSA-N 1 0 306.475 3.015 50 0 DGAARO Cc1ccccc1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000019217596 182108003 /nfs/dbraw/zinc/10/80/03/182108003.db2.gz RHIPJWVCDSYPCS-FQEVSTJZSA-N 1 0 316.489 3.196 50 0 DGAARO COc1ccccc1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000019359418 182118930 /nfs/dbraw/zinc/11/89/30/182118930.db2.gz JOQDCKHYUVLTKS-UHFFFAOYSA-N 1 0 302.462 3.392 50 0 DGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]C[C@H](C)c3ccccc3)C2=O)cc1 ZINC000019889490 182161102 /nfs/dbraw/zinc/16/11/02/182161102.db2.gz YWJWWPVGOBPONZ-YJBOKZPZSA-N 1 0 322.408 3.020 50 0 DGAARO Fc1ccccc1-c1ccc(C[NH2+][C@H]2CN3CCC2CC3)o1 ZINC000020477273 182221532 /nfs/dbraw/zinc/22/15/32/182221532.db2.gz NJNSIHPVUQIWHR-KRWDZBQOSA-N 1 0 300.377 3.270 50 0 DGAARO COc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1OC ZINC000020500945 182225150 /nfs/dbraw/zinc/22/51/50/182225150.db2.gz OIQGGLZZLZQOQM-IBGZPJMESA-N 1 0 313.397 3.107 50 0 DGAARO Fc1cccc([C@]2(C[NH2+]C3Cc4ccccc4C3)CCOC2)c1 ZINC000020534130 182227790 /nfs/dbraw/zinc/22/77/90/182227790.db2.gz STQBYTNUMPNEPG-FQEVSTJZSA-N 1 0 311.400 3.241 50 0 DGAARO OCC[C@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1C1CCCCC1 ZINC000020537427 182228770 /nfs/dbraw/zinc/22/87/70/182228770.db2.gz JOSJJPDBTOEJJQ-IBGZPJMESA-N 1 0 320.452 3.027 50 0 DGAARO CCCCOc1cccc(OCCCC[NH+]2CCN(C)CC2)c1 ZINC000020652686 182241894 /nfs/dbraw/zinc/24/18/94/182241894.db2.gz VVZQAYZSRIKWRO-UHFFFAOYSA-N 1 0 320.477 3.272 50 0 DGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000020947706 182256076 /nfs/dbraw/zinc/25/60/76/182256076.db2.gz DAZDAPDMEZNTBY-MRXNPFEDSA-N 1 0 314.385 3.400 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1O ZINC000021938384 182298589 /nfs/dbraw/zinc/29/85/89/182298589.db2.gz KZYQBGMOZZVBSW-UHFFFAOYSA-N 1 0 318.804 3.037 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C 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Cc1ccccc1[C@H](CC(=O)NCC[NH+](C)C)c1ccccc1 ZINC000039400645 183018846 /nfs/dbraw/zinc/01/88/46/183018846.db2.gz OBJWABIDZRVCTG-LJQANCHMSA-N 1 0 310.441 3.195 50 0 DGAARO Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2NCC[NH+](C)C ZINC000040216894 183046567 /nfs/dbraw/zinc/04/65/67/183046567.db2.gz FWWWFBNMJCMWQN-UHFFFAOYSA-N 1 0 323.444 3.295 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccnc1)c1ccsc1 ZINC000040091430 183033676 /nfs/dbraw/zinc/03/36/76/183033676.db2.gz OXQGLPHWGPCGCZ-HNNXBMFYSA-N 1 0 318.446 3.348 50 0 DGAARO NC(=O)NC[C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000040555606 183101531 /nfs/dbraw/zinc/10/15/31/183101531.db2.gz JWEGNPWDCGTFFR-CQSZACIVSA-N 1 0 321.424 3.137 50 0 DGAARO Fc1cc(Br)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042773604 183306597 /nfs/dbraw/zinc/30/65/97/183306597.db2.gz PTDBSBLPOUUUOI-NSHDSACASA-N 1 0 302.187 3.499 50 0 DGAARO Fc1cc(Br)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042773607 183306626 /nfs/dbraw/zinc/30/66/26/183306626.db2.gz PTDBSBLPOUUUOI-LLVKDONJSA-N 1 0 302.187 3.499 50 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316.405 3.188 50 0 DGAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1CO ZINC000104834529 194044509 /nfs/dbraw/zinc/04/45/09/194044509.db2.gz LXSYGZWNLFXSIM-DOMZBBRYSA-N 1 0 301.352 3.483 50 0 DGAARO Cc1ccc([C@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)C2CC2)cc1 ZINC000285843309 218666270 /nfs/dbraw/zinc/66/62/70/218666270.db2.gz YNXJRCAUNVWQQP-KRWDZBQOSA-N 1 0 321.486 3.393 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CCCCC3)C2)CC1 ZINC000057924569 184062795 /nfs/dbraw/zinc/06/27/95/184062795.db2.gz MGZCMHKOZHCAQF-QGZVFWFLSA-N 1 0 321.509 3.473 50 0 DGAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000058162927 184083454 /nfs/dbraw/zinc/08/34/54/184083454.db2.gz LCWIOFBRJIXJLN-GFCCVEGCSA-N 1 0 311.376 3.207 50 0 DGAARO O=C(Nc1nccs1)C1CC[NH+](CCc2cccs2)CC1 ZINC000058185876 184086213 /nfs/dbraw/zinc/08/62/13/184086213.db2.gz ZCOXBXWLRXYIGF-UHFFFAOYSA-N 1 0 321.471 3.098 50 0 DGAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)SCc2ccccc2)C1 ZINC000058201861 184087074 /nfs/dbraw/zinc/08/70/74/184087074.db2.gz DNZVXGONVCXJPT-WBVHZDCISA-N 1 0 320.502 3.155 50 0 DGAARO Cc1ccoc1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058201052 184087140 /nfs/dbraw/zinc/08/71/40/184087140.db2.gz JNVOHCMCCQMUSQ-UHFFFAOYSA-N 1 0 316.376 3.122 50 0 DGAARO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000058224791 184090161 /nfs/dbraw/zinc/09/01/61/184090161.db2.gz SEXSSWQVKBHOQE-ZDUSSCGKSA-N 1 0 314.401 3.102 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000058232220 184092518 /nfs/dbraw/zinc/09/25/18/184092518.db2.gz JUAXHYWTKUQUEY-KRWDZBQOSA-N 1 0 318.804 3.122 50 0 DGAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058271518 184098100 /nfs/dbraw/zinc/09/81/00/184098100.db2.gz JMBFJQPPFXDILQ-MJBXVCDLSA-N 1 0 308.853 3.323 50 0 DGAARO O=C(Nc1ccccn1)C1CC[NH+](CCc2cccs2)CC1 ZINC000058293192 184101545 /nfs/dbraw/zinc/10/15/45/184101545.db2.gz ZHHAOTPFBLUZMM-UHFFFAOYSA-N 1 0 315.442 3.036 50 0 DGAARO CSc1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000058309107 184103758 /nfs/dbraw/zinc/10/37/58/184103758.db2.gz MEKISESUCNWYBD-UHFFFAOYSA-N 1 0 307.463 3.262 50 0 DGAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccc(C)cc2C)cn1 ZINC000058438515 184118283 /nfs/dbraw/zinc/11/82/83/184118283.db2.gz XDRKVRLMIGTABI-UHFFFAOYSA-N 1 0 314.433 3.094 50 0 DGAARO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114784 184206636 /nfs/dbraw/zinc/20/66/36/184206636.db2.gz YIEPBEJGEPRJJV-NXEZZACHSA-N 1 0 301.217 3.122 50 0 DGAARO Cc1cccc(-c2nnc(C)c(NCCC[NH+]3CCCC3)n2)c1 ZINC000065195861 184314030 /nfs/dbraw/zinc/31/40/30/184314030.db2.gz XWVCUJFRNUUOSJ-UHFFFAOYSA-N 1 0 311.433 3.053 50 0 DGAARO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000064590783 184301232 /nfs/dbraw/zinc/30/12/32/184301232.db2.gz DYUAAYWDHLPUIC-UHFFFAOYSA-N 1 0 307.397 3.025 50 0 DGAARO Cn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000065285295 184321437 /nfs/dbraw/zinc/32/14/37/184321437.db2.gz MZRGIHJAFFDJNP-CQSZACIVSA-N 1 0 310.376 3.097 50 0 DGAARO C[NH+](C)C1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000065462605 184349018 /nfs/dbraw/zinc/34/90/18/184349018.db2.gz XEJFICMUXWWYQK-UHFFFAOYSA-N 1 0 313.445 3.043 50 0 DGAARO Cc1ccccc1NC(=O)CC[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000065468171 184350623 /nfs/dbraw/zinc/35/06/23/184350623.db2.gz XTEXDSLZBRUKEE-KRWDZBQOSA-N 1 0 324.424 3.259 50 0 DGAARO COc1c(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c(C)nn1C ZINC000065478830 184352745 /nfs/dbraw/zinc/35/27/45/184352745.db2.gz BDZVCDDWFDXSDG-OAHLLOKOSA-N 1 0 305.809 3.168 50 0 DGAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@@H](C)CC(C)(C)O ZINC000065406338 184338753 /nfs/dbraw/zinc/33/87/53/184338753.db2.gz FJHFFYDDZZZLLY-JTQLQIEISA-N 1 0 310.388 3.436 50 0 DGAARO COc1ccc(C[N@H+](C)CCc2ccncc2)cc1OC(F)F ZINC000065591512 184370004 /nfs/dbraw/zinc/37/00/04/184370004.db2.gz PFQYMLKJLRCXCZ-UHFFFAOYSA-N 1 0 322.355 3.366 50 0 DGAARO c1nc(CN2CCC[C@H]([NH+]3CCCC3)C2)oc1-c1ccccc1 ZINC000065604247 184371424 /nfs/dbraw/zinc/37/14/24/184371424.db2.gz RECMTFYGWNXKJV-KRWDZBQOSA-N 1 0 311.429 3.402 50 0 DGAARO CCCN(C(=O)/C=C(\C)c1cccc(F)c1)C1CC[NH2+]CC1 ZINC000269233143 207360420 /nfs/dbraw/zinc/36/04/20/207360420.db2.gz IQXGSVIOVNNEJV-WYMLVPIESA-N 1 0 304.409 3.220 50 0 DGAARO CCn1cc(NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)cn1 ZINC000069417697 184513342 /nfs/dbraw/zinc/51/33/42/184513342.db2.gz KJONWZZAGXXANP-UHFFFAOYSA-N 1 0 314.433 3.386 50 0 DGAARO CCOC(=O)N(C)C1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000097370748 252623326 /nfs/dbraw/zinc/62/33/26/252623326.db2.gz UWXWVGFIPSCRHG-CYBMUJFWSA-N 1 0 310.463 3.232 50 0 DGAARO COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000408512882 533001582 /nfs/dbraw/zinc/00/15/82/533001582.db2.gz DKKDYDMGIAZWGZ-DJIMGWMZSA-N 1 0 318.461 3.178 50 0 DGAARO Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000156177198 197092985 /nfs/dbraw/zinc/09/29/85/197092985.db2.gz AAPSWUCVMIVDJW-MRXNPFEDSA-N 1 0 316.449 3.038 50 0 DGAARO CC(C)Oc1ccc([C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000289634054 221117241 /nfs/dbraw/zinc/11/72/41/221117241.db2.gz ZXPWRHDQYRUPHS-HNNXBMFYSA-N 1 0 316.445 3.279 50 0 DGAARO Cc1csc(-c2cccc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)c2)n1 ZINC000237527330 257238646 /nfs/dbraw/zinc/23/86/46/257238646.db2.gz XUADCVYPGGTDNS-WFASDCNBSA-N 1 0 315.442 3.070 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1F ZINC000237655414 257238881 /nfs/dbraw/zinc/23/88/81/257238881.db2.gz FFRJZRWWVUOBNM-CJNGLKHVSA-N 1 0 300.377 3.054 50 0 DGAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000237640204 257238966 /nfs/dbraw/zinc/23/89/66/257238966.db2.gz BDRKUQDTXWTBML-KUQKPQIMSA-N 1 0 300.446 3.299 50 0 DGAARO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cscn1 ZINC000223533167 257239855 /nfs/dbraw/zinc/23/98/55/257239855.db2.gz SQLSLMFYMWADTC-HNNXBMFYSA-N 1 0 313.467 3.172 50 0 DGAARO COc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1-c1ccccc1 ZINC000237122541 257239858 /nfs/dbraw/zinc/23/98/58/257239858.db2.gz DEZLUUGGIALYHM-YOEHRIQHSA-N 1 0 324.424 3.314 50 0 DGAARO C[NH+](C)[C@@H](CCC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000521394351 257241516 /nfs/dbraw/zinc/24/15/16/257241516.db2.gz GRTPCGRBEIURRX-IRXDYDNUSA-N 1 0 318.461 3.143 50 0 DGAARO C/C(=C/c1ccccc1)C[NH2+]CC(=O)N1Cc2ccccc2C1 ZINC000330031790 257260988 /nfs/dbraw/zinc/26/09/88/257260988.db2.gz DIHGDICXANCUIZ-WJDWOHSUSA-N 1 0 306.409 3.222 50 0 DGAARO c1c(-c2ccccn2)nnn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000023191512 257269124 /nfs/dbraw/zinc/26/91/24/257269124.db2.gz KBGJTSLSQVKEJH-UHFFFAOYSA-N 1 0 319.412 3.177 50 0 DGAARO Cc1nnc([C@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000069660466 184834034 /nfs/dbraw/zinc/83/40/34/184834034.db2.gz NKYGPWKRYICZKR-GOEBONIOSA-N 1 0 306.454 3.027 50 0 DGAARO Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1COc3ccccc3O1)CCC2 ZINC000323075797 400176326 /nfs/dbraw/zinc/17/63/26/400176326.db2.gz XPQWPIYCNQHZBM-DOTOQJQBSA-N 1 0 311.381 3.199 50 0 DGAARO c1ccc([C@H](C[NH2+]C2CCOCC2)N2CCCCCC2)cc1 ZINC000584888272 400121047 /nfs/dbraw/zinc/12/10/47/400121047.db2.gz DPPVBPZUVBWTBO-IBGZPJMESA-N 1 0 302.462 3.372 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(Nc2ccccc2)CCCC1 ZINC000584902912 400124630 /nfs/dbraw/zinc/12/46/30/400124630.db2.gz RRDXPLFUYVOAHD-QGZVFWFLSA-N 1 0 315.461 3.012 50 0 DGAARO c1cc(CNCc2ccc(C[NH+]3CCCCCCC3)cc2)n[nH]1 ZINC000066906018 400129688 /nfs/dbraw/zinc/12/96/88/400129688.db2.gz LBKUTRHLYHNNCA-UHFFFAOYSA-N 1 0 312.461 3.466 50 0 DGAARO C[NH+](C)C1(CNC(=O)CC(C)(C)c2ccccc2)CCCC1 ZINC000067200124 400152788 /nfs/dbraw/zinc/15/27/88/400152788.db2.gz AWEXHPJDQXJNGK-UHFFFAOYSA-N 1 0 302.462 3.345 50 0 DGAARO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000092354879 400167860 /nfs/dbraw/zinc/16/78/60/400167860.db2.gz ULTWBMROEDROAQ-GDBMZVCRSA-N 1 0 306.425 3.246 50 0 DGAARO CC(=O)Nc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000093387725 400242706 /nfs/dbraw/zinc/24/27/06/400242706.db2.gz FSSSJJZDWXJKPY-FQEVSTJZSA-N 1 0 324.424 3.127 50 0 DGAARO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000097103491 400283573 /nfs/dbraw/zinc/28/35/73/400283573.db2.gz BYQKRHHPTIUBMB-HUUCEWRRSA-N 1 0 319.449 3.316 50 0 DGAARO COc1ccc(C2(C[NH2+][C@@H]3CCCSC3)CCOCC2)cc1 ZINC000097371038 400284333 /nfs/dbraw/zinc/28/43/33/400284333.db2.gz YKGDSQMTQVAPDE-MRXNPFEDSA-N 1 0 321.486 3.229 50 0 DGAARO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(n2cncn2)CC1 ZINC000097370751 400284660 /nfs/dbraw/zinc/28/46/60/400284660.db2.gz FLBRYBWRULXFPQ-AWEZNQCLSA-N 1 0 302.397 3.075 50 0 DGAARO C[C@H](NC(=O)CC[N@H+](C)Cc1cccc(O)c1)c1ccccc1 ZINC000072308182 400380962 /nfs/dbraw/zinc/38/09/62/400380962.db2.gz MQSZWSSXEZPXPI-HNNXBMFYSA-N 1 0 312.413 3.092 50 0 DGAARO CNC(=O)Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)cs1 ZINC000072309161 400381253 /nfs/dbraw/zinc/38/12/53/400381253.db2.gz VWBDLMMUWLIOSM-UONOGXRCSA-N 1 0 323.506 3.126 50 0 DGAARO C/C=C1/C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000038182884 400394721 /nfs/dbraw/zinc/39/47/21/400394721.db2.gz VBKQRUUVDAWDIP-JFXOSOEFSA-N 1 0 310.397 3.014 50 0 DGAARO CSc1ccccc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000109034225 400350846 /nfs/dbraw/zinc/35/08/46/400350846.db2.gz CBZLHTBNBZYFFM-UONOGXRCSA-N 1 0 306.475 3.259 50 0 DGAARO CCCc1noc(-c2cccc(C[NH2+]Cc3c[nH]nc3C)c2)n1 ZINC000071855405 400372181 /nfs/dbraw/zinc/37/21/81/400372181.db2.gz YHXAMZRLEVQQLZ-UHFFFAOYSA-N 1 0 311.389 3.010 50 0 DGAARO COc1ccccc1/C=C/C[NH2+]C1CCN(CC(F)F)CC1 ZINC000071924559 400373714 /nfs/dbraw/zinc/37/37/14/400373714.db2.gz TZWDGDGAJFOTPP-GQCTYLIASA-N 1 0 310.388 3.028 50 0 DGAARO CN1CC[NH+](CCCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000039425342 400398299 /nfs/dbraw/zinc/39/82/99/400398299.db2.gz ARCILNTTXXTFCE-UHFFFAOYSA-N 1 0 304.478 3.391 50 0 DGAARO C[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CCCN1CCOC1=O ZINC000075109391 400560578 /nfs/dbraw/zinc/56/05/78/400560578.db2.gz HQAFTCYKIJCWSG-WBVHZDCISA-N 1 0 302.418 3.444 50 0 DGAARO CCOc1cc2c(cc1OC)CC[NH2+][C@H]2Cc1ccc(O)cc1 ZINC000075278902 400568660 /nfs/dbraw/zinc/56/86/60/400568660.db2.gz XNJWFRNUEDDRRW-KRWDZBQOSA-N 1 0 313.397 3.229 50 0 DGAARO CCCOc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCC3)cc1 ZINC000136088587 400590709 /nfs/dbraw/zinc/59/07/09/400590709.db2.gz YRKSQHAFGCHOSV-UHFFFAOYSA-N 1 0 315.393 3.283 50 0 DGAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1cnn2ccccc12 ZINC000075584083 400597435 /nfs/dbraw/zinc/59/74/35/400597435.db2.gz SVWVUFFKVXOPTA-MRXNPFEDSA-N 1 0 323.444 3.453 50 0 DGAARO Fc1ccc2c(NC3CCN(c4ncccn4)CC3)cc[nH+]c2c1 ZINC000075611416 400598613 /nfs/dbraw/zinc/59/86/13/400598613.db2.gz SYPNLRYTWWJCMJ-UHFFFAOYSA-N 1 0 323.375 3.245 50 0 DGAARO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000076409359 400653919 /nfs/dbraw/zinc/65/39/19/400653919.db2.gz OHFDSVZLRLOQON-AWEZNQCLSA-N 1 0 308.397 3.045 50 0 DGAARO Cc1c[nH+]c(CC2CCN(C(=O)C3CCC3)CC2)n1CC1CC1 ZINC000169791979 400761029 /nfs/dbraw/zinc/76/10/29/400761029.db2.gz BBYPHJPVWIKMFK-UHFFFAOYSA-N 1 0 315.461 3.183 50 0 DGAARO CCC[C@@H]([NH3+])CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000170677230 400769368 /nfs/dbraw/zinc/76/93/68/400769368.db2.gz HWYABPOYTWURTI-VHSXEESVSA-N 1 0 303.233 3.341 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)[C@@H](C)C1 ZINC000078897501 400831532 /nfs/dbraw/zinc/83/15/32/400831532.db2.gz SSAPYPBSSREOKG-FUHWJXTLSA-N 1 0 302.462 3.348 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000078897257 400831550 /nfs/dbraw/zinc/83/15/50/400831550.db2.gz JYPVYZZBVRMPJQ-WMLDXEAASA-N 1 0 314.429 3.478 50 0 DGAARO Cc1csc(CNc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000078989882 400839356 /nfs/dbraw/zinc/83/93/56/400839356.db2.gz XKCPEVFFJQQMCC-UHFFFAOYSA-N 1 0 317.458 3.020 50 0 DGAARO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185000742 400904585 /nfs/dbraw/zinc/90/45/85/400904585.db2.gz LODWJYGSULRZHK-CYBMUJFWSA-N 1 0 308.385 3.194 50 0 DGAARO COc1cccc(C[NH2+]C[C@H](O)c2cc3ccccc3s2)n1 ZINC000191316464 400912078 /nfs/dbraw/zinc/91/20/78/400912078.db2.gz WGMAYCCJHURUEL-AWEZNQCLSA-N 1 0 314.410 3.128 50 0 DGAARO CSCC[C@H]([NH2+][C@H]1CCCSC1)c1nnc2ccccn21 ZINC000195558448 400925185 /nfs/dbraw/zinc/92/51/85/400925185.db2.gz TWBWQYFDAKLOCX-STQMWFEESA-N 1 0 322.503 3.009 50 0 DGAARO C[C@H]1CC[C@H](C[NH+]2CCC(OCc3ccccc3F)CC2)O1 ZINC000225598146 400958521 /nfs/dbraw/zinc/95/85/21/400958521.db2.gz HUUUNAYJZGXZED-WMLDXEAASA-N 1 0 307.409 3.374 50 0 DGAARO COc1ccc2c(c1)OCCC[C@H]2[NH2+]CCc1cscn1 ZINC000225581343 400958538 /nfs/dbraw/zinc/95/85/38/400958538.db2.gz HUZBIMZWMWEDGK-OAHLLOKOSA-N 1 0 304.415 3.198 50 0 DGAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCc1ccc(OC)cc1 ZINC000247928929 401063907 /nfs/dbraw/zinc/06/39/07/401063907.db2.gz RDABJEJOYXEODW-JQHSSLGASA-N 1 0 317.429 3.044 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCO[C@@H]1CCCC[C@H]1C ZINC000248114249 401066944 /nfs/dbraw/zinc/06/69/44/401066944.db2.gz ZFKPBFSPFCMPSA-QXCFHYIPSA-N 1 0 322.493 3.057 50 0 DGAARO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C ZINC000252585135 401095857 /nfs/dbraw/zinc/09/58/57/401095857.db2.gz GKHHNHMTTRLLJF-CKEIUWERSA-N 1 0 309.475 3.146 50 0 DGAARO C[C@@H]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@H]1C ZINC000253370228 401098511 /nfs/dbraw/zinc/09/85/11/401098511.db2.gz NZESBEXDLJZPLV-OAGGEKHMSA-N 1 0 304.482 3.351 50 0 DGAARO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000065140370 401258494 /nfs/dbraw/zinc/25/84/94/401258494.db2.gz UKMKVNKIMRWVEO-UKRRQHHQSA-N 1 0 315.442 3.017 50 0 DGAARO Cc1cccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624181583 401635494 /nfs/dbraw/zinc/63/54/94/401635494.db2.gz VDCDEUGVPZVMIS-CVEARBPZSA-N 1 0 303.450 3.087 50 0 DGAARO C[C@@H](NC(=O)C[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043830 286941341 /nfs/dbraw/zinc/94/13/41/286941341.db2.gz RARJXWBRVKUDMF-DGTBMVLOSA-N 1 0 304.478 3.193 50 0 DGAARO O=C(NCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000129337788 196039687 /nfs/dbraw/zinc/03/96/87/196039687.db2.gz WIUWCMULQFKAKY-MNOVXSKESA-N 1 0 320.380 3.189 50 0 DGAARO O=C(NCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000129337114 196040227 /nfs/dbraw/zinc/04/02/27/196040227.db2.gz WIUWCMULQFKAKY-WDEREUQCSA-N 1 0 320.380 3.189 50 0 DGAARO CC(C)C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129339866 196040668 /nfs/dbraw/zinc/04/06/68/196040668.db2.gz UBCBQQPXDJUDFE-SJLPKXTDSA-N 1 0 317.477 3.367 50 0 DGAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000269270124 432157059 /nfs/dbraw/zinc/15/70/59/432157059.db2.gz WUJNKOFFLIJXIN-KFWWJZLASA-N 1 0 306.837 3.001 50 0 DGAARO c1cc2c(c(C[NH2+]Cc3ccc(OCC4CC4)cc3)c1)OCO2 ZINC000190847537 432194810 /nfs/dbraw/zinc/19/48/10/432194810.db2.gz OIALSQLBGYHCOJ-UHFFFAOYSA-N 1 0 311.381 3.494 50 0 DGAARO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000130945949 196125530 /nfs/dbraw/zinc/12/55/30/196125530.db2.gz YRURDNQHRSCIRV-QGZVFWFLSA-N 1 0 311.429 3.493 50 0 DGAARO C[NH2+][C@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 ZINC000151023555 432211015 /nfs/dbraw/zinc/21/10/15/432211015.db2.gz JANSFBPMQPDXSQ-LBPRGKRZSA-N 1 0 315.244 3.136 50 0 DGAARO COCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000097036978 292564884 /nfs/dbraw/zinc/56/48/84/292564884.db2.gz GBUNUYVUVSKARC-HZMBPMFUSA-N 1 0 304.217 3.307 50 0 DGAARO C[C@@H](C1CC1)[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C1CC1 ZINC000031654950 274205396 /nfs/dbraw/zinc/20/53/96/274205396.db2.gz SXHDLOBJOSSRAA-NSHDSACASA-N 1 0 317.820 3.111 50 0 DGAARO CC[C@H](C)c1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C(C)C)cc1 ZINC000057315530 287787674 /nfs/dbraw/zinc/78/76/74/287787674.db2.gz YVZLENUKTCTYMI-XEZPLFJOSA-N 1 0 319.449 3.070 50 0 DGAARO [NH3+][C@H]1CN(c2ccnc3c2cccc3C(F)(F)F)C[C@@H]1C1CC1 ZINC000095370532 274963300 /nfs/dbraw/zinc/96/33/00/274963300.db2.gz TXVDKZGWCHKEIT-OCCSQVGLSA-N 1 0 321.346 3.427 50 0 DGAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000091908081 276257131 /nfs/dbraw/zinc/25/71/31/276257131.db2.gz JXHWKUOZWRNCOU-GOEBONIOSA-N 1 0 306.837 3.173 50 0 DGAARO CC[NH+](CC)CCOCCOc1ccccc1Br ZINC000004989595 276327942 /nfs/dbraw/zinc/32/79/42/276327942.db2.gz ZMRYGCQAYUJIIM-UHFFFAOYSA-N 1 0 316.239 3.186 50 0 DGAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(O)cc1)[NH2+]CC2 ZINC000020506821 276371442 /nfs/dbraw/zinc/37/14/42/276371442.db2.gz DUKQUMBPNFPFLA-IBGZPJMESA-N 1 0 313.397 3.425 50 0 DGAARO C[NH+](C)Cc1ccccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000031231700 276812918 /nfs/dbraw/zinc/81/29/18/276812918.db2.gz VNYAXCSLAAGEPK-MZBDJJRSSA-N 1 0 314.429 3.082 50 0 DGAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCSC2)CC1 ZINC000167457098 277184156 /nfs/dbraw/zinc/18/41/56/277184156.db2.gz HHBKLBXUOBXECG-ZIAGYGMSSA-N 1 0 314.495 3.261 50 0 DGAARO CC(C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048344927 277333915 /nfs/dbraw/zinc/33/39/15/277333915.db2.gz CMLZZHMCJVUBBQ-HZPDHXFCSA-N 1 0 302.462 3.437 50 0 DGAARO COc1cc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)ccc1O ZINC000055211074 277839246 /nfs/dbraw/zinc/83/92/46/277839246.db2.gz XUBFVVAGMSDJMD-LJQANCHMSA-N 1 0 306.365 3.384 50 0 DGAARO CC(C)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000004741560 278051578 /nfs/dbraw/zinc/05/15/78/278051578.db2.gz XCYOZUJPOYDGRL-INIZCTEOSA-N 1 0 305.385 3.447 50 0 DGAARO CS[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000130472476 278158669 /nfs/dbraw/zinc/15/86/69/278158669.db2.gz VRDGZHUUPJBWOI-UKRRQHHQSA-N 1 0 304.459 3.139 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000269192363 278316660 /nfs/dbraw/zinc/31/66/60/278316660.db2.gz RLPACONJFLXWEC-NOZJJQNGSA-N 1 0 318.314 3.186 50 0 DGAARO CC1CC[NH+](CCCNC(=O)Nc2ccc(F)cc2F)CC1 ZINC000017742562 278540028 /nfs/dbraw/zinc/54/00/28/278540028.db2.gz WYZBSCOCVOMCBA-UHFFFAOYSA-N 1 0 311.376 3.208 50 0 DGAARO CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000000093939 431123042 /nfs/dbraw/zinc/12/30/42/431123042.db2.gz WBORPFJFZUHQQQ-UHFFFAOYSA-N 1 0 323.440 3.342 50 0 DGAARO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(C)CCOCC1)c1ccccc1 ZINC000068385808 431124905 /nfs/dbraw/zinc/12/49/05/431124905.db2.gz GIJDGQADDMDYCI-OAHLLOKOSA-N 1 0 318.461 3.049 50 0 DGAARO Cc1cc2c(cc1C)[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)CCCO2 ZINC000108372295 431136216 /nfs/dbraw/zinc/13/62/16/431136216.db2.gz TUEHNUMTURZHKW-NVAPDCRFSA-N 1 0 309.475 3.264 50 0 DGAARO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccc(F)cc2)N1O ZINC000000192002 431142734 /nfs/dbraw/zinc/14/27/34/431142734.db2.gz WFZNDXKOWGWARV-MRXNPFEDSA-N 1 0 300.333 3.307 50 0 DGAARO C[C@@H](Cn1cccn1)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000069351204 431176734 /nfs/dbraw/zinc/17/67/34/431176734.db2.gz HJXGVKDBQYHYBO-NSHDSACASA-N 1 0 304.444 3.246 50 0 DGAARO CCCc1nc(C)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)s1 ZINC000069585610 431201668 /nfs/dbraw/zinc/20/16/68/431201668.db2.gz PDEPUQALCIZDMV-KGLIPLIRSA-N 1 0 321.490 3.103 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000069459788 431189826 /nfs/dbraw/zinc/18/98/26/431189826.db2.gz PKALIVIHIHTYIX-HOTGVXAUSA-N 1 0 309.417 3.117 50 0 DGAARO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069559651 431198588 /nfs/dbraw/zinc/19/85/88/431198588.db2.gz SADBENMQUSDJBL-ICSRJNTNSA-N 1 0 320.436 3.496 50 0 DGAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)N1CCc2ccccc21 ZINC000069557316 431199161 /nfs/dbraw/zinc/19/91/61/431199161.db2.gz VMWXNPNFIYURHS-SFHVURJKSA-N 1 0 309.413 3.131 50 0 DGAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000000535170 431200008 /nfs/dbraw/zinc/20/00/08/431200008.db2.gz CEMMMGABLNSKLL-HNNXBMFYSA-N 1 0 314.429 3.204 50 0 DGAARO COc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000000268191 431155718 /nfs/dbraw/zinc/15/57/18/431155718.db2.gz VXDPQMMZUVIUEI-WBVHZDCISA-N 1 0 303.402 3.117 50 0 biogenic,in-vitro DGAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(F)cc1Cl ZINC000069052744 431157323 /nfs/dbraw/zinc/15/73/23/431157323.db2.gz PMHLQCWQHSTAPO-UHFFFAOYSA-N 1 0 304.752 3.377 50 0 DGAARO Clc1ccc(C2([NH2+]C[C@@H]3CNc4ccnn4C3)CCC2)cc1 ZINC000069582964 431202248 /nfs/dbraw/zinc/20/22/48/431202248.db2.gz WQOAXHKGMILGBO-ZDUSSCGKSA-N 1 0 316.836 3.247 50 0 DGAARO OCC[N@H+](Cc1ccsc1)Cc1ccc(F)c2cccnc12 ZINC000069596425 431203709 /nfs/dbraw/zinc/20/37/09/431203709.db2.gz YMCVUGTZPPVYLW-UHFFFAOYSA-N 1 0 316.401 3.430 50 0 DGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(F)cc1 ZINC000000613049 431203981 /nfs/dbraw/zinc/20/39/81/431203981.db2.gz RDEKMFOAUFQFAW-UHFFFAOYSA-N 1 0 313.376 3.006 50 0 aggregator DGAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000069627658 431206849 /nfs/dbraw/zinc/20/68/49/431206849.db2.gz BMAZRRBWTXBIHK-ROUUACIJSA-N 1 0 300.446 3.095 50 0 DGAARO c1[nH]c2ccccc2c1C1CC[NH+](C[C@H]2CCOCO2)CC1 ZINC000069667444 431208614 /nfs/dbraw/zinc/20/86/14/431208614.db2.gz CBBYDLOPZGMKRC-OAHLLOKOSA-N 1 0 300.402 3.110 50 0 DGAARO Cn1cc([C@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)cn1 ZINC000069668867 431210348 /nfs/dbraw/zinc/21/03/48/431210348.db2.gz USKKQQUOZPWLFD-MRXNPFEDSA-N 1 0 310.401 3.331 50 0 DGAARO CC(C)c1nn(C)c(Cl)c1CNCC[NH+](C(C)C)C(C)C ZINC000069645825 431210390 /nfs/dbraw/zinc/21/03/90/431210390.db2.gz GROPVIMGLVRBOA-UHFFFAOYSA-N 1 0 314.905 3.405 50 0 DGAARO Cc1c2ccccc2oc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000001053522 431212125 /nfs/dbraw/zinc/21/21/25/431212125.db2.gz ZDNBJOPPYUAJRS-CYBMUJFWSA-N 1 0 300.402 3.345 50 0 DGAARO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cscn2)CCCC1 ZINC000111389120 431218167 /nfs/dbraw/zinc/21/81/67/431218167.db2.gz RFMYISBXEJZPSD-UHFFFAOYSA-N 1 0 311.451 3.070 50 0 DGAARO COc1ccc([C@@H](C)[NH+]2CCC(n3cncn3)CC2)cc1Cl ZINC000069777920 431218720 /nfs/dbraw/zinc/21/87/20/431218720.db2.gz QWZNRBVJNLNGBR-GFCCVEGCSA-N 1 0 320.824 3.338 50 0 DGAARO Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069779856 431222042 /nfs/dbraw/zinc/22/20/42/431222042.db2.gz CRNHLMLIHYGZNR-UONOGXRCSA-N 1 0 321.490 3.274 50 0 DGAARO c1cnn(C[C@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000069893084 431228134 /nfs/dbraw/zinc/22/81/34/431228134.db2.gz MOBMIMCQFLTBCS-MRXNPFEDSA-N 1 0 308.385 3.203 50 0 DGAARO COc1cc([C@@H](C)[NH2+]Cc2cccc(O)c2)cc(OC)c1OC ZINC000069871671 431228393 /nfs/dbraw/zinc/22/83/93/431228393.db2.gz XUXRNIJNLHIYAJ-GFCCVEGCSA-N 1 0 317.385 3.269 50 0 DGAARO c1[nH]c2ccccc2c1CCC[NH+]1CCN(c2ccccn2)CC1 ZINC000001506633 431228634 /nfs/dbraw/zinc/22/86/34/431228634.db2.gz DMIUJDCKIMDFIL-UHFFFAOYSA-N 1 0 320.440 3.318 50 0 DGAARO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000069951649 431233086 /nfs/dbraw/zinc/23/30/86/431233086.db2.gz MLCXYJDTNBFULE-LJQANCHMSA-N 1 0 321.428 3.042 50 0 DGAARO CCCCCC[C@@H]1NC(=[NH2+])NC(=N)N1c1ccc(Cl)cc1 ZINC000001666577 431237275 /nfs/dbraw/zinc/23/72/75/431237275.db2.gz PTYUSCVACAGDKF-CYBMUJFWSA-N 1 0 307.829 3.086 50 0 DGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000070172476 431242379 /nfs/dbraw/zinc/24/23/79/431242379.db2.gz JNSZDWGUOHDHDI-MWLCHTKSSA-N 1 0 301.217 3.193 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000070172782 431243268 /nfs/dbraw/zinc/24/32/68/431243268.db2.gz PATYZPHLABXJRK-ZJUUUORDSA-N 1 0 301.217 3.193 50 0 DGAARO COc1ccc(C[NH2+]CCc2ccccc2)c(OC)c1OC ZINC000002063831 431244716 /nfs/dbraw/zinc/24/47/16/431244716.db2.gz BGQXAWJWAMMGRD-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000002451854 431253069 /nfs/dbraw/zinc/25/30/69/431253069.db2.gz XXUGCJCPVHCUOK-CKEIUWERSA-N 1 0 311.853 3.480 50 0 DGAARO CCOC(=O)CCC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515042 431253671 /nfs/dbraw/zinc/25/36/71/431253671.db2.gz ZOMZOJVHFGXLCQ-UHFFFAOYSA-N 1 0 303.402 3.199 50 0 DGAARO c1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc1 ZINC000002493225 431254208 /nfs/dbraw/zinc/25/42/08/431254208.db2.gz YVAQDDHUGCCCOK-UHFFFAOYSA-N 1 0 307.441 3.104 50 0 DGAARO CCOC(=O)CCCC(=O)c1ccccc1C[NH+]1CCCC1 ZINC000002515592 431256080 /nfs/dbraw/zinc/25/60/80/431256080.db2.gz MRUNJKILMAUUTO-UHFFFAOYSA-N 1 0 303.402 3.199 50 0 DGAARO COCC[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000003001292 431277344 /nfs/dbraw/zinc/27/73/44/431277344.db2.gz UBDCCMAHHCNWAM-UHFFFAOYSA-N 1 0 322.630 3.107 50 0 DGAARO CCCC[NH2+]CCOCCOc1ccccc1Br ZINC000002981094 431278478 /nfs/dbraw/zinc/27/84/78/431278478.db2.gz RFKOMTUBWMFZBQ-UHFFFAOYSA-N 1 0 316.239 3.234 50 0 DGAARO CC(C)(C)[NH2+]CCOCCOc1ccc(Br)cc1 ZINC000002981018 431278575 /nfs/dbraw/zinc/27/85/75/431278575.db2.gz VMQGXQNBHMSXJO-UHFFFAOYSA-N 1 0 316.239 3.233 50 0 DGAARO CC(C)c1nnc2sc([C@@H]3CCC[N@@H+](C4CCCC4)C3)nn21 ZINC000071422373 431279191 /nfs/dbraw/zinc/27/91/91/431279191.db2.gz VNGRYOWRQUWQQW-GFCCVEGCSA-N 1 0 319.478 3.431 50 0 DGAARO CC(C)[NH+]1CCC(c2nccn2[C@@H](C)CCn2cccn2)CC1 ZINC000071405671 431280519 /nfs/dbraw/zinc/28/05/19/431280519.db2.gz OTQZQGZBRAJOFW-INIZCTEOSA-N 1 0 315.465 3.319 50 0 DGAARO O[C@@H](C[NH2+]Cc1ccccc1Cl)COc1ccc(F)cc1 ZINC000003265493 431289982 /nfs/dbraw/zinc/28/99/82/431289982.db2.gz QZZDYSMUPQAWBP-AWEZNQCLSA-N 1 0 309.768 3.009 50 0 DGAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000004062190 431295979 /nfs/dbraw/zinc/29/59/79/431295979.db2.gz OBEOXMXUKJVLLO-KPKJPENVSA-N 1 0 321.424 3.090 50 0 DGAARO CC(C)[N@H+](C)CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000071841796 431297919 /nfs/dbraw/zinc/29/79/19/431297919.db2.gz ASYHOSXRGQEVBT-UHFFFAOYSA-N 1 0 313.445 3.214 50 0 DGAARO COc1ccc([C@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1F ZINC000071844048 431297947 /nfs/dbraw/zinc/29/79/47/431297947.db2.gz IJEUTHAGWVIKGR-FUHWJXTLSA-N 1 0 315.388 3.357 50 0 DGAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccsc2)CC1 ZINC000071838649 431298707 /nfs/dbraw/zinc/29/87/07/431298707.db2.gz MUXOMIWSEMZBOT-UHFFFAOYSA-N 1 0 304.415 3.078 50 0 DGAARO c1ccc(N2CCN(C3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000004703457 431299868 /nfs/dbraw/zinc/29/98/68/431299868.db2.gz LKYFLBNPYSPCNU-UHFFFAOYSA-N 1 0 313.489 3.216 50 0 DGAARO C[C@H]([C@H](C)[NH2+]Cc1ccnc(-c2ccccc2)n1)n1cccn1 ZINC000069372194 279592352 /nfs/dbraw/zinc/59/23/52/279592352.db2.gz RSDBWRFKXXCWMT-LSDHHAIUSA-N 1 0 307.401 3.079 50 0 DGAARO Cc1oc(-c2ccco2)nc1C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000071882110 431304425 /nfs/dbraw/zinc/30/44/25/431304425.db2.gz HVXGTOAZJOXUMT-NWDGAFQWSA-N 1 0 300.362 3.179 50 0 DGAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C2CCC2)CC1 ZINC000005089701 431309113 /nfs/dbraw/zinc/30/91/13/431309113.db2.gz SOAIREIEWTUYCZ-UHFFFAOYSA-N 1 0 321.852 3.221 50 0 DGAARO c1cc(-c2nnc3n2CCCCC3)oc1C[NH+]1CCCCC1 ZINC000002649161 431260508 /nfs/dbraw/zinc/26/05/08/431260508.db2.gz SRFCBKHLODKMSC-UHFFFAOYSA-N 1 0 300.406 3.250 50 0 DGAARO COc1ccc(CC[NH2+]Cc2cc(OC)ccc2OC)cc1 ZINC000002734992 431265163 /nfs/dbraw/zinc/26/51/63/431265163.db2.gz YEINAZWQWQFIKM-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO OCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000002862385 431273128 /nfs/dbraw/zinc/27/31/28/431273128.db2.gz QDFRJUDVGXJVHA-UHFFFAOYSA-N 1 0 309.768 3.140 50 0 DGAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccccc2-n2ccnc2C)n1 ZINC000071278734 431275780 /nfs/dbraw/zinc/27/57/80/431275780.db2.gz CJFZOYQJEHTXNN-HNNXBMFYSA-N 1 0 323.444 3.172 50 0 DGAARO O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)COCc1cccs1 ZINC000006936604 431324491 /nfs/dbraw/zinc/32/44/91/431324491.db2.gz ILAGAXNGVKOPJC-YJBOKZPZSA-N 1 0 317.454 3.293 50 0 DGAARO CCCC[NH+](CCCC)C[C@H](O)COCc1cccc(OC)c1 ZINC000006936596 431325515 /nfs/dbraw/zinc/32/55/15/431325515.db2.gz RGAWRPVBUPXILW-SFHVURJKSA-N 1 0 323.477 3.475 50 0 DGAARO COc1ccc(COC[C@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000006941321 431327810 /nfs/dbraw/zinc/32/78/10/431327810.db2.gz CUETUGYOIAAKHY-GOSISDBHSA-N 1 0 321.461 3.275 50 0 DGAARO Fc1ccc([C@H]2C[N@H+](CC3CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072147903 431331787 /nfs/dbraw/zinc/33/17/87/431331787.db2.gz RKHUSLQFIBWOII-GUDVDZBRSA-N 1 0 300.421 3.098 50 0 DGAARO O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCCCCC1 ZINC000007064440 431333787 /nfs/dbraw/zinc/33/37/87/431333787.db2.gz QYKJRPBZBQOQDO-PKOBYXMFSA-N 1 0 303.446 3.318 50 0 DGAARO Cc1cc(C)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1C ZINC000007127828 431335685 /nfs/dbraw/zinc/33/56/85/431335685.db2.gz DMCWSKNEYBXJGT-MRXNPFEDSA-N 1 0 305.385 3.058 50 0 DGAARO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000007143612 431335854 /nfs/dbraw/zinc/33/58/54/431335854.db2.gz PWZVDKIHEXJMGG-CYBMUJFWSA-N 1 0 300.383 3.451 50 0 DGAARO Clc1ccc(CSc2nnc(C3CC[NH2+]CC3)o2)cc1 ZINC000008039421 431377395 /nfs/dbraw/zinc/37/73/95/431377395.db2.gz ONINEAOFOMJSGQ-UHFFFAOYSA-N 1 0 309.822 3.482 50 0 DGAARO c1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000008659933 431402680 /nfs/dbraw/zinc/40/26/80/431402680.db2.gz HGKAMARNFGKMLC-RBUKOAKNSA-N 1 0 309.409 3.445 50 0 in-man DGAARO C[NH+](C)[C@H](CNc1c(F)c(F)nc(F)c1F)c1cccs1 ZINC000075106792 431455360 /nfs/dbraw/zinc/45/53/60/431455360.db2.gz IBZDYVHRSWLAAB-SSDOTTSWSA-N 1 0 319.327 3.414 50 0 DGAARO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000010277505 431456156 /nfs/dbraw/zinc/45/61/56/431456156.db2.gz MOIBBDCIANKLQA-IIYDPXPESA-N 1 0 302.418 3.385 50 0 DGAARO Cc1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000010328879 431460654 /nfs/dbraw/zinc/46/06/54/431460654.db2.gz LWNLMCFXYHVUEK-SFHVURJKSA-N 1 0 314.404 3.096 50 0 DGAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCc1ccc(F)cc1 ZINC000010339681 431461738 /nfs/dbraw/zinc/46/17/38/431461738.db2.gz CBUUGUSRWFJIRE-SFHVURJKSA-N 1 0 312.388 3.279 50 0 DGAARO O=C(CCc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450799 431463635 /nfs/dbraw/zinc/46/36/35/431463635.db2.gz XNBGLOUZBCQDHO-UHFFFAOYSA-N 1 0 322.452 3.400 50 0 DGAARO COc1ccc(-c2nc(C[N@H+](C)C3CCOCC3)c(C)o2)cc1 ZINC000011661494 431478474 /nfs/dbraw/zinc/47/84/74/431478474.db2.gz UTWAQQZAHXFEFW-UHFFFAOYSA-N 1 0 316.401 3.269 50 0 DGAARO C[C@@H](C(=O)N1CCCC[C@@H]1c1nccs1)[NH+]1CCCCCC1 ZINC000076042853 431518204 /nfs/dbraw/zinc/51/82/04/431518204.db2.gz WPTAYNUWBKOJFH-LSDHHAIUSA-N 1 0 321.490 3.461 50 0 DGAARO COc1ccc(-c2nc(C[N@H+](CCO)C(C)C)c(C)o2)c(F)c1 ZINC000012579079 431520111 /nfs/dbraw/zinc/52/01/11/431520111.db2.gz FWFNMYVKKHBPKU-UHFFFAOYSA-N 1 0 322.380 3.000 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)s1 ZINC000011878804 431483946 /nfs/dbraw/zinc/48/39/46/431483946.db2.gz ITPLIPLIILAKFQ-CQSZACIVSA-N 1 0 306.475 3.327 50 0 DGAARO COc1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012062834 431490489 /nfs/dbraw/zinc/49/04/89/431490489.db2.gz CBJCXRMJLGAESC-IBGZPJMESA-N 1 0 324.424 3.262 50 0 biogenic DGAARO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000075605730 431490424 /nfs/dbraw/zinc/49/04/24/431490424.db2.gz KBFQGXVPPKBRBA-CQSZACIVSA-N 1 0 304.825 3.157 50 0 DGAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1F ZINC000012314417 431499020 /nfs/dbraw/zinc/49/90/20/431499020.db2.gz SYPUMIFABJCJKC-HNNXBMFYSA-N 1 0 303.356 3.436 50 0 DGAARO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2cc(=O)c(O)co2)cc1 ZINC000075886577 431503610 /nfs/dbraw/zinc/50/36/10/431503610.db2.gz LFKQHZSRRJGRER-DLBZAZTESA-N 1 0 313.397 3.422 50 0 DGAARO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2cc(=O)c(O)co2)cc1 ZINC000075886575 431503677 /nfs/dbraw/zinc/50/36/77/431503677.db2.gz LFKQHZSRRJGRER-IRXDYDNUSA-N 1 0 313.397 3.422 50 0 DGAARO CC(C)=CCC[C@H](C)CC[NH+]1CCN(c2ncccn2)CC1 ZINC000012383405 431504383 /nfs/dbraw/zinc/50/43/83/431504383.db2.gz VVHWYYZQOIDGPA-KRWDZBQOSA-N 1 0 302.466 3.371 50 0 DGAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000012902161 431536202 /nfs/dbraw/zinc/53/62/02/431536202.db2.gz WONXGNOVTWGHNX-AWEZNQCLSA-N 1 0 302.443 3.193 50 0 DGAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000013011498 431542877 /nfs/dbraw/zinc/54/28/77/431542877.db2.gz XEDFKYXGQKTKCM-MRXNPFEDSA-N 1 0 318.417 3.454 50 0 DGAARO CC[C@H](C)[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717656 431565768 /nfs/dbraw/zinc/56/57/68/431565768.db2.gz MHLTYESPCQWZLP-AWEZNQCLSA-N 1 0 323.400 3.343 50 0 DGAARO COc1ccc([C@@H](NC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000013718488 431566221 /nfs/dbraw/zinc/56/62/21/431566221.db2.gz OCFDLTIXORMBSD-FQEVSTJZSA-N 1 0 310.441 3.468 50 0 DGAARO CC1CC[NH+](CCCNC(=O)CSc2ccccc2)CC1 ZINC000013675810 431563327 /nfs/dbraw/zinc/56/33/27/431563327.db2.gz MFPPOEFOSMUPKT-UHFFFAOYSA-N 1 0 306.475 3.017 50 0 DGAARO Cc1ccc(CSCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013646539 431564171 /nfs/dbraw/zinc/56/41/71/431564171.db2.gz UEBPMUQWZMQDTG-UHFFFAOYSA-N 1 0 320.502 3.220 50 0 DGAARO Cc1c(C)n(C2CCCCC2)c2ncn(CC[NH+](C)C)c(=N)c12 ZINC000013653996 431564233 /nfs/dbraw/zinc/56/42/33/431564233.db2.gz WRZNZMHPMQPIPX-UHFFFAOYSA-N 1 0 315.465 3.001 50 0 DGAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000095402485 280345087 /nfs/dbraw/zinc/34/50/87/280345087.db2.gz HYPASAYFPYCQCY-UXLLHSPISA-N 1 0 303.450 3.015 50 0 DGAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCC(C)C)cc1 ZINC000014878787 431598568 /nfs/dbraw/zinc/59/85/68/431598568.db2.gz ZCWXHLJXSNMNAU-KRWDZBQOSA-N 1 0 318.461 3.212 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 ZINC000014903540 431598634 /nfs/dbraw/zinc/59/86/34/431598634.db2.gz BJNPVXNSOUBGGS-QFQMRYFISA-N 1 0 312.413 3.492 50 0 DGAARO c1ccc(C[N@@H+]2CCC[C@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000077287913 431581386 /nfs/dbraw/zinc/58/13/86/431581386.db2.gz UFTRKQJNCBJASP-FQEVSTJZSA-N 1 0 322.456 3.359 50 0 DGAARO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(C)c(C)c2n1 ZINC000077286527 431583308 /nfs/dbraw/zinc/58/33/08/431583308.db2.gz DZCTUTRRIOJLIM-CVEARBPZSA-N 1 0 323.440 3.127 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c[nH]c2ccccc12 ZINC000014246546 431588034 /nfs/dbraw/zinc/58/80/34/431588034.db2.gz JNWWFUKYLJGSAG-QGZVFWFLSA-N 1 0 323.396 3.328 50 0 DGAARO CC(C)c1nc(C[N@H+](C)[C@H]2CCOC3(CCOCC3)C2)cs1 ZINC000077407795 431591559 /nfs/dbraw/zinc/59/15/59/431591559.db2.gz JLWPKYOPZOGJDK-HNNXBMFYSA-N 1 0 324.490 3.427 50 0 DGAARO OC[C@H]1COCC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000077519993 431605545 /nfs/dbraw/zinc/60/55/45/431605545.db2.gz ROTYECDOFZMMDH-AWEZNQCLSA-N 1 0 311.381 3.027 50 0 DGAARO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3C)n2)cc1OC ZINC000015261464 431605954 /nfs/dbraw/zinc/60/59/54/431605954.db2.gz VDRAAVRMGDNODN-GFCCVEGCSA-N 1 0 317.389 3.128 50 0 DGAARO C[C@@](CO)([NH2+]Cc1nnc(-c2cccs2)o1)C1CCCCC1 ZINC000077656897 431614399 /nfs/dbraw/zinc/61/43/99/431614399.db2.gz GXGPAIWZQWDVJG-INIZCTEOSA-N 1 0 321.446 3.219 50 0 DGAARO C/C=C1\C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000022061644 431634028 /nfs/dbraw/zinc/63/40/28/431634028.db2.gz DTEXULLZKFAGHZ-CKXMZTLZSA-N 1 0 324.424 3.317 50 0 in-vitro DGAARO OC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000023281359 431636584 /nfs/dbraw/zinc/63/65/84/431636584.db2.gz IHZUBCQZYLSFIX-LJQANCHMSA-N 1 0 311.425 3.470 50 0 DGAARO NC(=O)[C@@H]([NH2+]CCSc1ccc(Cl)cc1)c1ccccc1 ZINC000026221255 431672428 /nfs/dbraw/zinc/67/24/28/431672428.db2.gz FBHZNGCQMIVLNQ-HNNXBMFYSA-N 1 0 320.845 3.248 50 0 DGAARO COc1ccc(C(C)(C)C[NH2+]Cc2ccccn2)cc1OC ZINC000078602419 431685976 /nfs/dbraw/zinc/68/59/76/431685976.db2.gz VSBKOKZTRCHAFY-UHFFFAOYSA-N 1 0 300.402 3.166 50 0 DGAARO C[NH+]1CCC(NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000078578700 431686147 /nfs/dbraw/zinc/68/61/47/431686147.db2.gz YQHXPDGVVYCBDB-HWKANZROSA-N 1 0 313.228 3.217 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccco2)c2ccc(F)cc12 ZINC000028297183 431705777 /nfs/dbraw/zinc/70/57/77/431705777.db2.gz LBQVPLSLINQRDH-HNNXBMFYSA-N 1 0 316.376 3.141 50 0 DGAARO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CCc3cccs3)C2)o1 ZINC000078891842 431709958 /nfs/dbraw/zinc/70/99/58/431709958.db2.gz FSDOIUNAMSGLOW-CQSZACIVSA-N 1 0 319.474 3.047 50 0 DGAARO FC(F)(F)c1cccnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000029044738 431715174 /nfs/dbraw/zinc/71/51/74/431715174.db2.gz HTFGIZODUBNSSD-UHFFFAOYSA-N 1 0 321.346 3.423 50 0 DGAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCC(C)C ZINC000032185536 431774858 /nfs/dbraw/zinc/77/48/58/431774858.db2.gz GWJREVQHOJFZHM-UHFFFAOYSA-N 1 0 300.402 3.415 50 0 DGAARO CC(C)[N@@H+]1CCCC[C@H]1CCn1cnc2cc(F)ccc2c1=O ZINC000032547837 431783124 /nfs/dbraw/zinc/78/31/24/431783124.db2.gz LMBFFNLTQBFUTD-HNNXBMFYSA-N 1 0 317.408 3.189 50 0 DGAARO Cc1cc2c(ncn(CC[C@@H]3CCCC[N@H+]3C(C)C)c2=O)s1 ZINC000032561713 431783173 /nfs/dbraw/zinc/78/31/73/431783173.db2.gz WUMXYEQLDMHBMM-AWEZNQCLSA-N 1 0 319.474 3.419 50 0 DGAARO O=C(c1cccs1)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000085473276 431840137 /nfs/dbraw/zinc/84/01/37/431840137.db2.gz BLBVUOMHCIFTHX-CQSZACIVSA-N 1 0 324.515 3.182 50 0 DGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccnc1 ZINC000040474231 431856731 /nfs/dbraw/zinc/85/67/31/431856731.db2.gz VIQJVIANZJQFPT-AWEZNQCLSA-N 1 0 316.430 3.102 50 0 DGAARO O=C(NCCCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000040158579 431856866 /nfs/dbraw/zinc/85/68/66/431856866.db2.gz GOHSLVRYHIFWIE-FQEVSTJZSA-N 1 0 322.452 3.400 50 0 DGAARO CN(C)C(=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000040511228 431857743 /nfs/dbraw/zinc/85/77/43/431857743.db2.gz QAVWJZJYFJLEOB-MRXNPFEDSA-N 1 0 320.483 3.235 50 0 DGAARO Fc1ccc(N2CCN(c3cnnc4ccccc43)CC2)cc1 ZINC000041122893 431858237 /nfs/dbraw/zinc/85/82/37/431858237.db2.gz OEJXBXYKXZTTBT-UHFFFAOYSA-N 1 0 308.360 3.096 50 0 DGAARO CCc1nn(C)c(OC)c1C[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000089212645 431861019 /nfs/dbraw/zinc/86/10/19/431861019.db2.gz NLLXHZGQNRFMIS-INWMFGNUSA-N 1 0 305.466 3.296 50 0 DGAARO CS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000089319426 431863146 /nfs/dbraw/zinc/86/31/46/431863146.db2.gz OFFPAQDWPSWJQS-CVEARBPZSA-N 1 0 321.490 3.496 50 0 DGAARO COCc1nccc([C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000089420448 431865780 /nfs/dbraw/zinc/86/57/80/431865780.db2.gz XUCTXALPWSOQJT-INIZCTEOSA-N 1 0 303.450 3.383 50 0 DGAARO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccsc1 ZINC000089595219 431871367 /nfs/dbraw/zinc/87/13/67/431871367.db2.gz COOVPPLXMGZSFU-OAHLLOKOSA-N 1 0 308.491 3.434 50 0 DGAARO COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000084257750 431820597 /nfs/dbraw/zinc/82/05/97/431820597.db2.gz YVXWYKPJHPVNRK-JZLODUJNSA-N 1 0 311.429 3.381 50 0 DGAARO CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCCn3ccnc32)s1 ZINC000084325310 431820709 /nfs/dbraw/zinc/82/07/09/431820709.db2.gz QYWKORWPPHKTSA-LBPRGKRZSA-N 1 0 304.463 3.304 50 0 DGAARO CC(C)(C)c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000034868055 431822657 /nfs/dbraw/zinc/82/26/57/431822657.db2.gz PBWTXTCJPABMRK-IBGZPJMESA-N 1 0 322.452 3.396 50 0 DGAARO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)o1 ZINC000426544898 280813705 /nfs/dbraw/zinc/81/37/05/280813705.db2.gz PCJNLCPQOAALPY-SFHVURJKSA-N 1 0 324.424 3.226 50 0 DGAARO FC(F)(F)c1cc([C@H]2CCC[N@H+](CCc3ccccn3)C2)[nH]n1 ZINC000084609927 431830639 /nfs/dbraw/zinc/83/06/39/431830639.db2.gz LMOZHFHUVCCMBX-LBPRGKRZSA-N 1 0 324.350 3.246 50 0 DGAARO CCCn1c(C[NH2+]C[C@@H]2CCCn3ccnc32)nc2ccccc21 ZINC000084760553 431833217 /nfs/dbraw/zinc/83/32/17/431833217.db2.gz AIBYDHYJELNTMB-HNNXBMFYSA-N 1 0 323.444 3.310 50 0 DGAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C)o1 ZINC000036098054 431836242 /nfs/dbraw/zinc/83/62/42/431836242.db2.gz CYFMQMCQNCECED-KRWDZBQOSA-N 1 0 311.466 3.470 50 0 DGAARO Cc1ccccc1C[N@H+](C[C@H](O)COCc1ccco1)C1CC1 ZINC000036104558 431837585 /nfs/dbraw/zinc/83/75/85/431837585.db2.gz MGJXRKXUUCTWHM-SFHVURJKSA-N 1 0 315.413 3.130 50 0 DGAARO C[S@](=O)c1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000085308332 431838179 /nfs/dbraw/zinc/83/81/79/431838179.db2.gz BXEZDRILBBZWEV-HTAPYJJXSA-N 1 0 315.438 3.428 50 0 DGAARO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000085308324 431838190 /nfs/dbraw/zinc/83/81/90/431838190.db2.gz BXEZDRILBBZWEV-VGSWGCGISA-N 1 0 315.438 3.428 50 0 DGAARO Cc1cc(C(F)(F)F)nc(N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000036613466 431839091 /nfs/dbraw/zinc/83/90/91/431839091.db2.gz SWPJWYGFIJCMEZ-NSHDSACASA-N 1 0 302.344 3.090 50 0 DGAARO C[N@@H+](Cc1cc(=O)c2cccc(F)c2[nH]1)C[C@H]1CCCCO1 ZINC000092028682 431907649 /nfs/dbraw/zinc/90/76/49/431907649.db2.gz YKNXEZHGDYHGTC-CYBMUJFWSA-N 1 0 304.365 3.080 50 0 DGAARO CC(C)CC[NH+]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000047867670 431916438 /nfs/dbraw/zinc/91/64/38/431916438.db2.gz PDJVOBDWPJTWJS-AWEZNQCLSA-N 1 0 308.470 3.092 50 0 DGAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000048277773 431921949 /nfs/dbraw/zinc/92/19/49/431921949.db2.gz ZZNPBETXQKRFTD-UKRRQHHQSA-N 1 0 307.415 3.056 50 0 DGAARO CSCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048310693 431922605 /nfs/dbraw/zinc/92/26/05/431922605.db2.gz HVBBBHVIJWNYEM-HUUCEWRRSA-N 1 0 320.502 3.144 50 0 DGAARO Cc1nc(-c2ccc(C[N@H+](C)Cc3ccoc3)cc2)[nH]c(=O)c1C ZINC000048307210 431922785 /nfs/dbraw/zinc/92/27/85/431922785.db2.gz NFKYFICFIGYSJU-UHFFFAOYSA-N 1 0 323.396 3.279 50 0 DGAARO Cc1cc(C)c2c(ncnc2NCCC[N@@H+](C)C2CCCC2)n1 ZINC000095362461 431923093 /nfs/dbraw/zinc/92/30/93/431923093.db2.gz VLSDXHQIHFITKI-UHFFFAOYSA-N 1 0 313.449 3.318 50 0 DGAARO c1cnn(-c2ncccc2C[NH2+]Cc2cccc3cccnc32)c1 ZINC000095350104 431923303 /nfs/dbraw/zinc/92/33/03/431923303.db2.gz WSJDFDWHLQSLAA-UHFFFAOYSA-N 1 0 315.380 3.105 50 0 DGAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)s2)n[nH]1 ZINC000095367695 431923349 /nfs/dbraw/zinc/92/33/49/431923349.db2.gz CFCGRTHZXMASTB-MRXNPFEDSA-N 1 0 303.431 3.141 50 0 DGAARO c1c(-c2ccc(Oc3ccccc3)cc2)nnn1[C@H]1CC[NH2+]C1 ZINC000095374884 431923837 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Cc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000044906958 431879193 /nfs/dbraw/zinc/87/91/93/431879193.db2.gz CABXSQWQVHPPQB-UHFFFAOYSA-N 1 0 301.459 3.159 50 0 DGAARO O=C(c1ccc2c(c1)CCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000044954585 431880144 /nfs/dbraw/zinc/88/01/44/431880144.db2.gz VEVZUSOXXZFUKB-UHFFFAOYSA-N 1 0 312.457 3.123 50 0 DGAARO Cc1ccc(OCCC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000045055194 431880832 /nfs/dbraw/zinc/88/08/32/431880832.db2.gz IYIBFNHTKKZAOF-UHFFFAOYSA-N 1 0 318.461 3.061 50 0 DGAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCCO[C@H]1CCOC1 ZINC000095423737 431925568 /nfs/dbraw/zinc/92/55/68/431925568.db2.gz RLGZRDYXYHHJKP-RDJZCZTQSA-N 1 0 317.429 3.218 50 0 DGAARO COc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000045949949 431891478 /nfs/dbraw/zinc/89/14/78/431891478.db2.gz YQNXDWQYWISASY-KBPBESRZSA-N 1 0 305.422 3.080 50 0 DGAARO C[C@@H](CNC(=O)Nc1cc(F)cc(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000045985981 431892577 /nfs/dbraw/zinc/89/25/77/431892577.db2.gz 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CCc1ccsc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000095969176 431929796 /nfs/dbraw/zinc/92/97/96/431929796.db2.gz BOTRAZAJXHFRSG-GFCCVEGCSA-N 1 0 313.430 3.137 50 0 DGAARO Cc1ccc(C)c(OC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000095975616 431931041 /nfs/dbraw/zinc/93/10/41/431931041.db2.gz BZUJULODEPSJMM-QZTJIDSGSA-N 1 0 303.446 3.450 50 0 DGAARO Cc1cnc(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000095986873 431931377 /nfs/dbraw/zinc/93/13/77/431931377.db2.gz JVRBHLJZCDJMHS-LBPRGKRZSA-N 1 0 318.446 3.094 50 0 DGAARO CCC[C@H](C[N@H+](C)C1CCS(=O)(=O)CC1)c1ccccc1 ZINC000095986758 431931551 /nfs/dbraw/zinc/93/15/51/431931551.db2.gz HYFPUUOWEBGLMQ-MRXNPFEDSA-N 1 0 309.475 3.079 50 0 DGAARO COc1ccccc1C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000095987863 431931986 /nfs/dbraw/zinc/93/19/86/431931986.db2.gz KKTTWWYPHKCWET-XKQJLSEDSA-N 1 0 301.430 3.130 50 0 DGAARO COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(CO)o2)cc1 ZINC000095982913 431932188 /nfs/dbraw/zinc/93/21/88/431932188.db2.gz 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C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CCO1 ZINC000253416490 432391824 /nfs/dbraw/zinc/39/18/24/432391824.db2.gz HFGFZPGAAIKVJE-ZJUUUORDSA-N 1 0 307.287 3.381 50 0 DGAARO Cc1csc2c1ncnc2N1CCC[N@@H+](C2CCCC2)CC1 ZINC000192612153 432393886 /nfs/dbraw/zinc/39/38/86/432393886.db2.gz GBVRAPQVNLMPAL-UHFFFAOYSA-N 1 0 316.474 3.454 50 0 DGAARO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CC1CCOCC1 ZINC000184535596 432402881 /nfs/dbraw/zinc/40/28/81/432402881.db2.gz MHYIZKKVKKDSBU-IBGZPJMESA-N 1 0 304.478 3.159 50 0 DGAARO c1csc(C[N@@H+]2CC[C@@H](c3noc(-c4ccccn4)n3)C2)c1 ZINC000257176984 432416478 /nfs/dbraw/zinc/41/64/78/432416478.db2.gz VKWIAWIZZOFNAW-GFCCVEGCSA-N 1 0 312.398 3.183 50 0 DGAARO O=C1NCCCCCC[N@@H+](Cc2cccc(F)c2)[C@H]2CCC[C@@H]12 ZINC000257183398 432416984 /nfs/dbraw/zinc/41/69/84/432416984.db2.gz RHLXAYSTWZXFKI-MSOLQXFVSA-N 1 0 318.436 3.487 50 0 DGAARO Cc1ccc(C(C)(C)CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261959419 432463639 /nfs/dbraw/zinc/46/36/39/432463639.db2.gz 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/nfs/dbraw/zinc/64/52/93/432645293.db2.gz ASDXSBNUQFHWIA-UHFFFAOYSA-N 1 0 300.233 3.059 50 0 DGAARO CC[N@H+](C)C[C@H]1CCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC000187125163 432646337 /nfs/dbraw/zinc/64/63/37/432646337.db2.gz HRLRHWQHQIYCHH-CYBMUJFWSA-N 1 0 319.474 3.079 50 0 DGAARO Cc1nc([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)no1 ZINC000216279299 432648831 /nfs/dbraw/zinc/64/88/31/432648831.db2.gz JFSPITDYTOTUBT-HNNXBMFYSA-N 1 0 324.384 3.413 50 0 DGAARO COc1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc1F ZINC000216311249 432648897 /nfs/dbraw/zinc/64/88/97/432648897.db2.gz QHWLSRDUOMJZQA-MRXNPFEDSA-N 1 0 306.425 3.285 50 0 DGAARO CCOc1ccc2nc(C[N@H+](C)[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000216255021 432649382 /nfs/dbraw/zinc/64/93/82/432649382.db2.gz VOZBFNJOLMGBPC-MOPGFXCFSA-N 1 0 314.429 3.369 50 0 DGAARO c1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@]2(CCCO2)CC1 ZINC000216268276 432650215 /nfs/dbraw/zinc/65/02/15/432650215.db2.gz FXXWQNHCKDADSQ-KRWDZBQOSA-N 1 0 321.490 3.278 50 0 DGAARO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4cccc(F)c4)cc3)C[C@H]2C1 ZINC000218938154 432661207 /nfs/dbraw/zinc/66/12/07/432661207.db2.gz BKBPAMSCOQKWGI-HDICACEKSA-N 1 0 324.399 3.126 50 0 DGAARO COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(C[NH3+])cc3)C2)cc1 ZINC000225464677 432693165 /nfs/dbraw/zinc/69/31/65/432693165.db2.gz IJSMVGSJELPEEW-KSSFIOAISA-N 1 0 324.424 3.172 50 0 DGAARO O=C(CCc1ccc(Cl)s1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229356803 432720639 /nfs/dbraw/zinc/72/06/39/432720639.db2.gz YMLXGAZDSCTJJG-STQMWFEESA-N 1 0 312.866 3.077 50 0 DGAARO CN1CCN(C(=O)/C=C\c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000229621849 432721971 /nfs/dbraw/zinc/72/19/71/432721971.db2.gz HJVCNTODMRPRNE-SYGIOELKSA-N 1 0 306.409 3.215 50 0 DGAARO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H](C)C2)c1 ZINC000229574233 432722302 /nfs/dbraw/zinc/72/23/02/432722302.db2.gz YYKCVKUINFMAOF-AEFFLSMTSA-N 1 0 300.446 3.390 50 0 DGAARO CC(C)(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000229782003 432723525 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CC[C@H]([NH2+]C1CCN(c2cccc(C)c2)CC1)[C@H]1C[C@@H](O)C1 ZINC000244899895 432823461 /nfs/dbraw/zinc/82/34/61/432823461.db2.gz ZSMRIYKGIKWZKC-IPELMVKDSA-N 1 0 302.462 3.103 50 0 DGAARO CC(C)n1ccnc1C1CCN(C[C@H](C)[NH+]2CCCC2)CC1 ZINC000244787515 432823467 /nfs/dbraw/zinc/82/34/67/432823467.db2.gz PYLMJTMMLWIIDM-INIZCTEOSA-N 1 0 304.482 3.128 50 0 DGAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237684168 432797732 /nfs/dbraw/zinc/79/77/32/432797732.db2.gz CGPJCSAOZRHJOX-HNNXBMFYSA-N 1 0 320.314 3.358 50 0 DGAARO CC1(C)CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)O1 ZINC000189713780 432812795 /nfs/dbraw/zinc/81/27/95/432812795.db2.gz LAWKGTZGRLRFMT-ZDUSSCGKSA-N 1 0 303.381 3.263 50 0 DGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000241316721 432815377 /nfs/dbraw/zinc/81/53/77/432815377.db2.gz LUIRIZKQVHZMND-XHSDSOJGSA-N 1 0 310.445 3.471 50 0 DGAARO COC[C@@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245593275 432848154 /nfs/dbraw/zinc/84/81/54/432848154.db2.gz GVYYTXWDAVHTAW-IEBWSBKVSA-N 1 0 319.445 3.103 50 0 DGAARO CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCC1 ZINC000073494832 288840945 /nfs/dbraw/zinc/84/09/45/288840945.db2.gz JERWVLIUZHPMRC-AWEZNQCLSA-N 1 0 307.463 3.079 50 0 DGAARO Cc1ccc(-c2cc(C[N@H+]3CC[C@H](CO)C[C@@H]3C)on2)cc1 ZINC000289044732 432915726 /nfs/dbraw/zinc/91/57/26/432915726.db2.gz PXJLIDMUMXDFGE-GJZGRUSLSA-N 1 0 300.402 3.243 50 0 DGAARO COc1cc(F)c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000453374293 433131323 /nfs/dbraw/zinc/13/13/23/433131323.db2.gz XHJSVZVMRQRQMD-RLAWYHOSSA-N 1 0 322.424 3.119 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2ncccc2C)c1 ZINC000299793483 433385674 /nfs/dbraw/zinc/38/56/74/433385674.db2.gz HYZHOWOGEUDIIE-SFHVURJKSA-N 1 0 323.440 3.271 50 0 DGAARO CC(C)(O)C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426043700 433406199 /nfs/dbraw/zinc/40/61/99/433406199.db2.gz PKEJMNMDIXQBGF-MRXNPFEDSA-N 1 0 304.821 3.379 50 0 DGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccccc3Cl)[C@H]2C1 ZINC000426360024 433473927 /nfs/dbraw/zinc/47/39/27/433473927.db2.gz CJQYLEFGDNBJSM-HYVNUMGLSA-N 1 0 309.837 3.498 50 0 DGAARO CO[C@]12CC[N@H+](Cc3cccnc3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426508148 433518873 /nfs/dbraw/zinc/51/88/73/433518873.db2.gz VKNUMOCLTPLTEQ-GBESFXJTSA-N 1 0 316.445 3.020 50 0 DGAARO C[C@@H](c1ccc(-c2nc(N(C)C)ns2)cc1)[NH+]1CCCC1 ZINC000426519225 433523458 /nfs/dbraw/zinc/52/34/58/433523458.db2.gz ISOVDZJKNOMRMK-LBPRGKRZSA-N 1 0 302.447 3.428 50 0 DGAARO CO[C@]12CC[N@H+](Cc3csc4ccccc34)[C@H]1C[C@H](O)CC2 ZINC000426470936 433508782 /nfs/dbraw/zinc/50/87/82/433508782.db2.gz VLNOKUOGSKWRAU-FHLIZLRMSA-N 1 0 317.454 3.406 50 0 DGAARO Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000426684516 433560805 /nfs/dbraw/zinc/56/08/05/433560805.db2.gz OOAJIZRBHWCWGL-CQSZACIVSA-N 1 0 312.388 3.222 50 0 DGAARO Cc1c([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)cnn1C(C)C ZINC000367437797 293072763 /nfs/dbraw/zinc/07/27/63/293072763.db2.gz JQXFBWSDBZFSHE-CYBMUJFWSA-N 1 0 301.438 3.156 50 0 DGAARO COCc1ccccc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000065585092 293317677 /nfs/dbraw/zinc/31/76/77/293317677.db2.gz CUEONDIJGBTGCH-OAHLLOKOSA-N 1 0 319.449 3.075 50 0 DGAARO C[C@H]([NH2+][C@H]1CSC1(C)C)c1cccc(N2CCOCC2)c1 ZINC000283370336 433713221 /nfs/dbraw/zinc/71/32/21/433713221.db2.gz NVZIZGZYZSJNSF-BBRMVZONSA-N 1 0 306.475 3.068 50 0 DGAARO CC[N@H+](Cc1cnn(C)c1C(F)(F)F)[C@H]1CCOC(C)(C)C1 ZINC000351926222 433792815 /nfs/dbraw/zinc/79/28/15/433792815.db2.gz NONXVJGFLIHSOW-LBPRGKRZSA-N 1 0 319.371 3.218 50 0 DGAARO CO[C@@H](C)C[N@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000377694079 433959328 /nfs/dbraw/zinc/95/93/28/433959328.db2.gz KVWHDAHWOLALSK-ZDUSSCGKSA-N 1 0 313.401 3.300 50 0 DGAARO COc1cccc([C@H]2CCCN2C(=O)C[NH+]2CCCCCC2)c1 ZINC000363098779 433969579 /nfs/dbraw/zinc/96/95/79/433969579.db2.gz CMQBPIVWTVSIFT-GOSISDBHSA-N 1 0 316.445 3.235 50 0 DGAARO C[C@H]1C[C@H](NCc2c(F)cccc2Br)CC[N@@H+]1C ZINC000390833407 434370456 /nfs/dbraw/zinc/37/04/56/434370456.db2.gz HAYFLYWYDNPXCE-WDEREUQCSA-N 1 0 315.230 3.161 50 0 DGAARO CCC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CC1(C)C ZINC000417326997 434355321 /nfs/dbraw/zinc/35/53/21/434355321.db2.gz GRSAGJFQEMOXNW-LJIGWXMPSA-N 1 0 305.466 3.302 50 0 DGAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CCN2CCCC2=O)cc1 ZINC000032916351 295220432 /nfs/dbraw/zinc/22/04/32/295220432.db2.gz RCDNUXRKGFSYMB-SFHVURJKSA-N 1 0 316.445 3.235 50 0 DGAARO CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000408519225 434583853 /nfs/dbraw/zinc/58/38/53/434583853.db2.gz WSXDVNRRBRHNPB-CPXQTQARSA-N 1 0 316.445 3.215 50 0 DGAARO Cc1nccn1CCCC[N@@H+]1CCC(C)=C(Br)C1 ZINC000408515486 434584381 /nfs/dbraw/zinc/58/43/81/434584381.db2.gz RTTFCKVFRMEAKW-UHFFFAOYSA-N 1 0 312.255 3.346 50 0 DGAARO [NH3+][C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000002565349 295332431 /nfs/dbraw/zinc/33/24/31/295332431.db2.gz KBXBDYRXZGBOIH-HXUWFJFHSA-N 1 0 303.405 3.493 50 0 DGAARO COc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nc(N)n1 ZINC000534631689 435294117 /nfs/dbraw/zinc/29/41/17/435294117.db2.gz DNRICZYNSHZXTL-ZDUSSCGKSA-N 1 0 312.417 3.281 50 0 DGAARO O[C@]12CCCC[C@H]1C[N@H+](CCCCOc1ccccc1)CC2 ZINC000483482190 435522941 /nfs/dbraw/zinc/52/29/41/435522941.db2.gz JWXNTLOIIDJAII-HKUYNNGSSA-N 1 0 303.446 3.473 50 0 DGAARO Cc1cncc(CC[NH2+][C@H](C)c2nc3c(s2)CCCC3)n1 ZINC000649588643 435635982 /nfs/dbraw/zinc/63/59/82/435635982.db2.gz VUUNOWAMTDTFAO-GFCCVEGCSA-N 1 0 302.447 3.014 50 0 DGAARO Cc1ccc(S[C@@H](C)C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000642153982 435864551 /nfs/dbraw/zinc/86/45/51/435864551.db2.gz LIYAXIZGZMNHGR-INIZCTEOSA-N 1 0 320.502 3.468 50 0 DGAARO Cc1ccc(C(=O)NC[C@H](c2ccccc2C)[NH+](C)C)c(F)c1 ZINC000067955831 301526655 /nfs/dbraw/zinc/52/66/55/301526655.db2.gz JCQXYEVPVJACHD-GOSISDBHSA-N 1 0 314.404 3.475 50 0 DGAARO COCC(=O)Nc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)c1 ZINC000657825284 436318383 /nfs/dbraw/zinc/31/83/83/436318383.db2.gz BXAVHLXDMRNLTR-SOLBZPMBSA-N 1 0 316.445 3.186 50 0 DGAARO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000284161866 302182878 /nfs/dbraw/zinc/18/28/78/302182878.db2.gz QFHRTHPNKMUMHC-WMZOPIPTSA-N 1 0 323.502 3.497 50 0 DGAARO CC(C)Oc1cccc(CN(C)C(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC000097234170 323210573 /nfs/dbraw/zinc/21/05/73/323210573.db2.gz IVPHVFKDEXDCKK-GOSISDBHSA-N 1 0 312.413 3.132 50 0 DGAARO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185010647 323378717 /nfs/dbraw/zinc/37/87/17/323378717.db2.gz CCBXPUKKYHXDRL-CYBMUJFWSA-N 1 0 308.385 3.022 50 0 DGAARO CC[N@H+](C)[C@@H](C)CCNC(=O)N(C)Cc1cccc(SC)c1 ZINC000534581087 334289222 /nfs/dbraw/zinc/28/92/22/334289222.db2.gz ZQMPBUAZJVJRIL-AWEZNQCLSA-N 1 0 323.506 3.280 50 0 DGAARO c1ccc(CN2CC[C@@H]([NH2+]CCCOC3CCCC3)C2)cc1 ZINC000534592840 334294947 /nfs/dbraw/zinc/29/49/47/334294947.db2.gz PBQNKQIYFCKNCM-GOSISDBHSA-N 1 0 302.462 3.200 50 0 DGAARO CC[NH+](CC)CC1(NC(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC000534653589 334312923 /nfs/dbraw/zinc/31/29/23/334312923.db2.gz 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C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(OC2CCOCC2)cc1 ZINC000090940288 545831525 /nfs/dbraw/zinc/83/15/25/545831525.db2.gz GSMNSNJKZJZXIU-IYOUNJFTSA-N 1 0 305.418 3.072 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)c1cccc(F)c1 ZINC000090955533 545832896 /nfs/dbraw/zinc/83/28/96/545832896.db2.gz XLIBFTNSJFXGGO-GUYCJALGSA-N 1 0 316.376 3.239 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)c1cccs1 ZINC000090955318 545833123 /nfs/dbraw/zinc/83/31/23/545833123.db2.gz SFZKGXDZSSASOM-TZMCWYRMSA-N 1 0 304.415 3.162 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)c1cccc(F)c1 ZINC000090955531 545833265 /nfs/dbraw/zinc/83/32/65/545833265.db2.gz XLIBFTNSJFXGGO-SUMWQHHRSA-N 1 0 316.376 3.239 50 0 DGAARO c1c2ccccc2[nH]c1CN1CCC([NH+]2CCSCC2)CC1 ZINC000215068294 546260472 /nfs/dbraw/zinc/26/04/72/546260472.db2.gz VUEAYRCJSMPQSK-UHFFFAOYSA-N 1 0 315.486 3.181 50 0 DGAARO C[C@@H]1C[C@@H](C[NH+]2CCC3(CC2)OCCc2ccsc23)CCO1 ZINC000353153602 546659041 /nfs/dbraw/zinc/65/90/41/546659041.db2.gz 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CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000826553726 627544360 /nfs/dbraw/zinc/54/43/60/627544360.db2.gz DUOYIFPGQVOOAK-LLVKDONJSA-N 1 0 305.315 3.437 50 0 DGAARO CCc1ocnc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012020084 660491859 /nfs/dbraw/zinc/49/18/59/660491859.db2.gz KWJPZUFHHJTJSS-OAHLLOKOSA-N 1 0 319.449 3.012 50 0 DGAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2C)cc1OC ZINC000022781816 655585731 /nfs/dbraw/zinc/58/57/31/655585731.db2.gz BJWINLJNNDZOHB-BMGDILEWSA-N 1 0 305.418 3.002 50 0 DGAARO c1ccc(CCCN2CCC[C@H]([NH2+]Cc3cccnc3)C2)cc1 ZINC000022853476 655755341 /nfs/dbraw/zinc/75/53/41/655755341.db2.gz WISSSJKQDXQLEY-FQEVSTJZSA-N 1 0 309.457 3.268 50 0 DGAARO c1ccc2c(c1)CC[C@H](CN1CCCC[C@@H]1C[NH+]1CCCC1)O2 ZINC000020636949 656072633 /nfs/dbraw/zinc/07/26/33/656072633.db2.gz UCDKVFRTIQNUAR-RTBURBONSA-N 1 0 314.473 3.331 50 0 DGAARO C[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)C1 ZINC000039356845 656533553 /nfs/dbraw/zinc/53/35/53/656533553.db2.gz 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C[C@@H]([NH2+]C[C@H]1CCOC1=O)c1nc(-c2ccccc2)cs1 ZINC000952992368 662210549 /nfs/dbraw/zinc/21/05/49/662210549.db2.gz LGFKXMLYSRWQAB-DGCLKSJQSA-N 1 0 302.399 3.024 50 0 DGAARO COc1ccc(/C=C/C[NH2+]Cc2cccnc2-n2ccnc2)cc1 ZINC000072921874 685060268 /nfs/dbraw/zinc/06/02/68/685060268.db2.gz YFHFEJYCPBBBTK-DUXPYHPUSA-N 1 0 320.396 3.079 50 0 DGAARO CC(C)(C[NH+]1CCCC1)c1nccn1-c1ccc2c(c1)COC2 ZINC001772712391 1176678756 /nfs/dbraw/zinc/67/87/56/1176678756.db2.gz QZLNSVOPOZBITM-UHFFFAOYSA-N 1 0 311.429 3.276 50 0 DGAARO Cc1cccc(CCC[NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)c1 ZINC001506398864 1186221991 /nfs/dbraw/zinc/22/19/91/1186221991.db2.gz GUXPJYCBEVAAII-LJQANCHMSA-N 1 0 314.473 3.308 50 0 DGAARO Fc1ccc(N2CCC([NH2+]C[C@H]3CCCCO3)CC2)cc1F ZINC001506398697 1186222432 /nfs/dbraw/zinc/22/24/32/1186222432.db2.gz RCFNAVUMLMUIDH-OAHLLOKOSA-N 1 0 310.388 3.092 50 0 DGAARO Cc1ccc(NC(C)(C)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001506409208 1186224363 /nfs/dbraw/zinc/22/43/63/1186224363.db2.gz 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CZARUHJKQZOAMT-CYBMUJFWSA-N 1 0 302.340 3.052 50 0 DGAARO Clc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000825563773 1091743128 /nfs/dbraw/zinc/74/31/28/1091743128.db2.gz QRCPYTZSFLVKHE-UHFFFAOYSA-N 1 0 302.809 3.207 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)c2ccco2)CC1 ZINC000581788003 1092271109 /nfs/dbraw/zinc/27/11/09/1092271109.db2.gz NSJZUGYDLNTVIO-INIZCTEOSA-N 1 0 304.434 3.396 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000581805529 1092279229 /nfs/dbraw/zinc/27/92/29/1092279229.db2.gz BOVMQZAIMIIERG-GOSISDBHSA-N 1 0 323.440 3.475 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)C2CCC2)CC1 ZINC000581808310 1092280454 /nfs/dbraw/zinc/28/04/54/1092280454.db2.gz MLQKMXWUPISOKB-UHFFFAOYSA-N 1 0 301.434 3.108 50 0 DGAARO O=C(NCc1ccccc1)C1(F)CC[NH+](C2CCCCC2)CC1 ZINC000581817945 1092285472 /nfs/dbraw/zinc/28/54/72/1092285472.db2.gz DDJVWOXTQUQAIW-UHFFFAOYSA-N 1 0 318.436 3.440 50 0 DGAARO Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c(C)c1 ZINC000584906901 1094842926 /nfs/dbraw/zinc/84/29/26/1094842926.db2.gz IRMDYJQSTWKJOW-UHFFFAOYSA-N 1 0 318.442 3.166 50 0 DGAARO CC[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(OC)cn1 ZINC000585085420 1094984851 /nfs/dbraw/zinc/98/48/51/1094984851.db2.gz MAWWNWGMCAZGKB-FUHWJXTLSA-N 1 0 314.429 3.297 50 0 DGAARO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCC=C(F)C3)c2)C1 ZINC000585089525 1094992897 /nfs/dbraw/zinc/99/28/97/1094992897.db2.gz UQGOXXNYYAWFTI-INIZCTEOSA-N 1 0 302.393 3.195 50 0 DGAARO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCc2cccnc2)C1 ZINC000585116931 1095009608 /nfs/dbraw/zinc/00/96/08/1095009608.db2.gz MNDUWOMGDQLTLI-SJLPKXTDSA-N 1 0 317.477 3.031 50 0 DGAARO COc1c(C)[nH]cc(C[N@H+](C)[C@H](C)c2cccc(C)c2)c1=O ZINC000585133412 1095034307 /nfs/dbraw/zinc/03/43/07/1095034307.db2.gz HGUNNVKRDNCPOM-CQSZACIVSA-N 1 0 300.402 3.193 50 0 DGAARO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000952845205 1096778918 /nfs/dbraw/zinc/77/89/18/1096778918.db2.gz JKRLBOWREIIKJV-AWEZNQCLSA-N 1 0 307.344 3.199 50 0 DGAARO C[C@H]([NH2+]C1CC(O)(C(F)(F)F)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000952848442 1096779830 /nfs/dbraw/zinc/77/98/30/1096779830.db2.gz FWZAWGNOJDZXRD-KRYJFNLASA-N 1 0 305.365 3.286 50 0 DGAARO CC(C)=CCC/C(C)=C/CN1CCC[C@@](CO)(C[NH+](C)C)C1 ZINC000952867292 1096787344 /nfs/dbraw/zinc/78/73/44/1096787344.db2.gz MCHDVBKXOLDPKI-SZVPOVDMSA-N 1 0 308.510 3.315 50 0 DGAARO CC(C)n1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC000095479265 185373532 /nfs/dbraw/zinc/37/35/32/185373532.db2.gz KUULWKPQAXGQAA-QGZVFWFLSA-N 1 0 311.429 3.046 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c2cc(Cl)ccc12 ZINC000095479710 185373674 /nfs/dbraw/zinc/37/36/74/185373674.db2.gz FDKWGWDCZDMGTR-ZDUSSCGKSA-N 1 0 319.836 3.046 50 0 DGAARO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)nc2)C12CCCCC2 ZINC000225411598 201703092 /nfs/dbraw/zinc/70/30/92/201703092.db2.gz OCDKZIJKMNPSOR-CVEARBPZSA-N 1 0 304.434 3.308 50 0 DGAARO C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)C[C@@H]1[NH+](C)C ZINC000078896664 185124795 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Cc1ccc(O[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000005002360 190620447 /nfs/dbraw/zinc/62/04/47/190620447.db2.gz OYKKPXHXGYKYDM-CQSZACIVSA-N 1 0 318.461 3.188 50 0 DGAARO Cc1nn(C)c2c1C(c1cccc(C(F)(F)F)c1)=[NH+]CCCN2 ZINC000044125374 282275580 /nfs/dbraw/zinc/27/55/80/282275580.db2.gz LAWZUKKCJPFOHN-UHFFFAOYSA-N 1 0 322.334 3.400 50 0 DGAARO CCOc1ccccc1CCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000095408050 185356543 /nfs/dbraw/zinc/35/65/43/185356543.db2.gz BVBCURZBNLCSLC-IRXDYDNUSA-N 1 0 318.461 3.007 50 0 DGAARO CC1CCC([NH+]2CCC(NC(=O)NC3CC=CC3)CC2)CC1 ZINC000095414000 185358504 /nfs/dbraw/zinc/35/85/04/185358504.db2.gz ZNWBDVGXCOMJPN-UHFFFAOYSA-N 1 0 305.466 3.047 50 0 DGAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)o1 ZINC000095419777 185360004 /nfs/dbraw/zinc/36/00/04/185360004.db2.gz PKQUGAHBTXIAMP-CQSZACIVSA-N 1 0 310.401 3.333 50 0 DGAARO F[C@@H]1C[NH2+][C@H](CNc2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000082156769 192362839 /nfs/dbraw/zinc/36/28/39/192362839.db2.gz 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185397981 /nfs/dbraw/zinc/39/79/81/185397981.db2.gz OJIOYYQXYLPELT-CQSZACIVSA-N 1 0 314.351 3.498 50 0 DGAARO C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)C1=CC[N@H+](C)CC1 ZINC000095469068 185372478 /nfs/dbraw/zinc/37/24/78/185372478.db2.gz GDRDVDRGKQSCFU-LLVKDONJSA-N 1 0 318.417 3.421 50 0 DGAARO C[C@@H](C[NH+]1CCC(C(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103868 185409908 /nfs/dbraw/zinc/40/99/08/185409908.db2.gz XLOAUFWTEJAVBU-ZDUSSCGKSA-N 1 0 308.853 3.244 50 0 DGAARO O=C(NCc1ccc(F)cc1)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817937 432009820 /nfs/dbraw/zinc/00/98/20/432009820.db2.gz OBVDTCNLXVHZFG-UHFFFAOYSA-N 1 0 324.399 3.274 50 0 DGAARO CC(C)c1[nH]nc2c1[C@@H](C1CC[NH+](C(C)C)CC1)CC(=O)N2 ZINC000065410126 432011515 /nfs/dbraw/zinc/01/15/15/432011515.db2.gz QWXRPQINVPUYJA-CYBMUJFWSA-N 1 0 304.438 3.079 50 0 DGAARO C[NH2+]CC1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000226248058 201770143 /nfs/dbraw/zinc/77/01/43/201770143.db2.gz HQYNJDDWLUUTMU-UHFFFAOYSA-N 1 0 307.246 3.127 50 0 DGAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000069971583 190845048 /nfs/dbraw/zinc/84/50/48/190845048.db2.gz WMDDRPASWMHJIV-LBPRGKRZSA-N 1 0 320.820 3.418 50 0 DGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)CC2(Cl)Cl)C1 ZINC000106573420 432021612 /nfs/dbraw/zinc/02/16/12/432021612.db2.gz FRYBGUVTZHPSRZ-SMDDNHRTSA-N 1 0 321.292 3.197 50 0 DGAARO C[C@@H](C(=O)Nc1nc(C2CC2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000130343098 432022123 /nfs/dbraw/zinc/02/21/23/432022123.db2.gz DMGJNSJHVRWKJU-QMTHXVAHSA-N 1 0 301.415 3.295 50 0 DGAARO C[C@@H](Sc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000071385379 190965479 /nfs/dbraw/zinc/96/54/79/190965479.db2.gz ZOBUNMCFLQBYDH-CQSZACIVSA-N 1 0 306.475 3.015 50 0 DGAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000071711949 191011491 /nfs/dbraw/zinc/01/14/91/191011491.db2.gz ICQRHMSHBXAMNL-QGZVFWFLSA-N 1 0 322.355 3.275 50 0 DGAARO CC[C@@H]1C[N@H+](Cc2ccccn2)CCC(=O)N1Cc1ccccc1 ZINC000071721393 191013221 /nfs/dbraw/zinc/01/32/21/191013221.db2.gz 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/nfs/dbraw/zinc/01/21/01/186012101.db2.gz WAYOLXGFAQUXSF-LBPRGKRZSA-N 1 0 318.442 3.042 50 0 DGAARO CC(C)SCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000072148016 191054738 /nfs/dbraw/zinc/05/47/38/191054738.db2.gz KIAKBHDWYUMPPL-QGZVFWFLSA-N 1 0 320.502 3.251 50 0 DGAARO CC[C@H]1CN(Cc2c[nH]c(CC3CCCC3)n2)CC[N@@H+]1C(C)C ZINC000072164823 191065068 /nfs/dbraw/zinc/06/50/68/191065068.db2.gz DTQQHURJKOEIHA-SFHVURJKSA-N 1 0 318.509 3.447 50 0 DGAARO c1c(CN2CCCC[C@@H]2c2ccccn2)nnn1-c1ccccc1 ZINC000072173870 191068910 /nfs/dbraw/zinc/06/89/10/191068910.db2.gz QJBHJWITTMOXMR-LJQANCHMSA-N 1 0 319.412 3.390 50 0 DGAARO C[NH+](C)[C@@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000072171113 191069623 /nfs/dbraw/zinc/06/96/23/191069623.db2.gz PWAYCEPLFBVWKZ-QGZVFWFLSA-N 1 0 302.462 3.316 50 0 DGAARO Cc1nc(C2CC[NH+](C[C@H](C)c3ccccc3)CC2)cc(=O)[nH]1 ZINC000072172725 191069976 /nfs/dbraw/zinc/06/99/76/191069976.db2.gz FDVFEWCAUPYRJG-AWEZNQCLSA-N 1 0 311.429 3.474 50 0 DGAARO CN(C)[C@@H](C[NH2+]Cc1nc2ccccc2n1C)c1ccsc1 ZINC000066970792 432024506 /nfs/dbraw/zinc/02/45/06/432024506.db2.gz SYYDLYFYNYVPBG-INIZCTEOSA-N 1 0 314.458 3.027 50 0 DGAARO CC[NH+](CC)CCNC(=O)c1cc2occc2c(OC(C)C)c1 ZINC000072240204 191083726 /nfs/dbraw/zinc/08/37/26/191083726.db2.gz MSWFADUWPYMDRK-UHFFFAOYSA-N 1 0 318.417 3.292 50 0 DGAARO Cn1nccc1[C@@H]1CCC[N@H+](CCCc2nc3ccccc3o2)C1 ZINC000072272645 191094884 /nfs/dbraw/zinc/09/48/84/191094884.db2.gz UOWWPFDAKOURON-OAHLLOKOSA-N 1 0 324.428 3.374 50 0 DGAARO COc1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1NC(C)=O ZINC000225594188 186281055 /nfs/dbraw/zinc/28/10/55/186281055.db2.gz GZIDLVHUQNGKJY-KRWDZBQOSA-N 1 0 302.418 3.466 50 0 DGAARO CSC[C@](C)(O)C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000225604421 186282212 /nfs/dbraw/zinc/28/22/12/186282212.db2.gz DQGNGCGNFMNMPE-BXUZGUMPSA-N 1 0 321.408 3.340 50 0 DGAARO Clc1ccsc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000225625314 186284294 /nfs/dbraw/zinc/28/42/94/186284294.db2.gz HUACGSPPRGLORI-GFCCVEGCSA-N 1 0 315.866 3.419 50 0 DGAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1scnc1C(C)(C)C ZINC000106922895 432025594 /nfs/dbraw/zinc/02/55/94/432025594.db2.gz UWKUIZHSLLTDCM-OLZOCXBDSA-N 1 0 323.506 3.291 50 0 DGAARO C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000072313288 191119848 /nfs/dbraw/zinc/11/98/48/191119848.db2.gz CSQBDUMVACLGMJ-HUUCEWRRSA-N 1 0 304.434 3.454 50 0 DGAARO COc1ccc([C@@H]2CCC[N@@H+]2CCc2cccnc2)cc1OC ZINC000172167854 198050792 /nfs/dbraw/zinc/05/07/92/198050792.db2.gz KXNLYHYKIPPROI-KRWDZBQOSA-N 1 0 312.413 3.478 50 0 DGAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000072406794 191153154 /nfs/dbraw/zinc/15/31/54/191153154.db2.gz KOXMSXDORQABNH-LBPRGKRZSA-N 1 0 302.443 3.449 50 0 DGAARO Cc1cc2nc(C(C)C)cc(NCCC3CC[NH+](C)CC3)n2n1 ZINC000072420468 191157579 /nfs/dbraw/zinc/15/75/79/191157579.db2.gz HSJQWTLVTARFAY-UHFFFAOYSA-N 1 0 315.465 3.305 50 0 DGAARO Cn1c2ccccc2nc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000072424882 191160252 /nfs/dbraw/zinc/16/02/52/191160252.db2.gz MGUOIASNOXLLAW-UHFFFAOYSA-N 1 0 306.413 3.348 50 0 DGAARO COc1ccc(F)c(F)c1CN1CCCC[C@H]1CC[NH+](C)C ZINC000072432560 191164881 /nfs/dbraw/zinc/16/48/81/191164881.db2.gz ZWVLEVPNTSIJKT-ZDUSSCGKSA-N 1 0 312.404 3.280 50 0 DGAARO COCC1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072478598 191179274 /nfs/dbraw/zinc/17/92/74/191179274.db2.gz CXUKCEUYHHWWCW-UHFFFAOYSA-N 1 0 305.462 3.249 50 0 DGAARO O[C@@H](Cn1c2ccccc2c2c1CCCC2)C[NH+]1CCCCC1 ZINC000000301545 180752240 /nfs/dbraw/zinc/75/22/40/180752240.db2.gz RLYZQJDARVHWHS-MRXNPFEDSA-N 1 0 312.457 3.367 50 0 biogenic DGAARO C[C@H]1CC[N@H+](Cc2cc(=O)n3ccccc3n2)[C@H](c2ccco2)C1 ZINC000072905410 191250832 /nfs/dbraw/zinc/25/08/32/191250832.db2.gz GAPCGJSCALIEHM-HOCLYGCPSA-N 1 0 323.396 3.261 50 0 DGAARO CC[C@H](Oc1ccccc1)c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067433506 432030545 /nfs/dbraw/zinc/03/05/45/432030545.db2.gz MPDRQOGWDAUXLM-INIZCTEOSA-N 1 0 315.417 3.484 50 0 DGAARO Cc1cnc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)o1 ZINC000173724052 198244609 /nfs/dbraw/zinc/24/46/09/198244609.db2.gz ZOCSZGHVEJOFRP-UHFFFAOYSA-N 1 0 300.402 3.412 50 0 DGAARO CC[NH+](CC)Cc1cccc(C(=O)Nc2ccc(F)cn2)c1 ZINC000067643453 432033708 /nfs/dbraw/zinc/03/37/08/432033708.db2.gz ZKBCLQVDNIFTCL-UHFFFAOYSA-N 1 0 301.365 3.315 50 0 DGAARO CC(C)[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1F ZINC000182136722 199391613 /nfs/dbraw/zinc/39/16/13/199391613.db2.gz ARZOXSNVATYEHM-HZMBPMFUSA-N 1 0 321.845 3.199 50 0 DGAARO CC(C)=CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000067641775 432033975 /nfs/dbraw/zinc/03/39/75/432033975.db2.gz RVWDJJGXVFPBDD-KRWDZBQOSA-N 1 0 300.446 3.208 50 0 DGAARO C[C@@H](c1ccco1)[N@H+](C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067654670 432034281 /nfs/dbraw/zinc/03/42/81/432034281.db2.gz DMXZGMBZWKQJGM-NSHDSACASA-N 1 0 300.333 3.453 50 0 DGAARO Cc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccccc3)C2)cc1 ZINC000002966196 180972715 /nfs/dbraw/zinc/97/27/15/180972715.db2.gz GUJAMCPPWUAILF-HXUWFJFHSA-N 1 0 307.417 3.255 50 0 DGAARO C[NH+]1CCC(Cc2noc(-c3cnc4ccccc4c3)n2)CC1 ZINC000067677405 432034364 /nfs/dbraw/zinc/03/43/64/432034364.db2.gz VKODVVCXQHMJGH-UHFFFAOYSA-N 1 0 308.385 3.169 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)c1ccccc1 ZINC000003313051 181003559 /nfs/dbraw/zinc/00/35/59/181003559.db2.gz YOYHNSQODCGFSL-INIZCTEOSA-N 1 0 302.805 3.373 50 0 DGAARO CCCOc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000003438970 181019661 /nfs/dbraw/zinc/01/96/61/181019661.db2.gz AQIZSTQRYSMBNZ-UHFFFAOYSA-N 1 0 318.461 3.470 50 0 DGAARO COCCC[NH2+]CCOc1ccc(Br)cc1Cl ZINC000003460503 181023006 /nfs/dbraw/zinc/02/30/06/181023006.db2.gz FZDYIKMWSSNFQA-UHFFFAOYSA-N 1 0 322.630 3.107 50 0 DGAARO Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)CC[NH+]1CCCCCCC1 ZINC000067757522 432039176 /nfs/dbraw/zinc/03/91/76/432039176.db2.gz RWPLJKMSCFZBFM-INIZCTEOSA-N 1 0 320.481 3.202 50 0 DGAARO Cc1cc(N2CCC3(CC2)CCNC(=O)CC3)c2ccccc2[nH+]1 ZINC000067784675 432040294 /nfs/dbraw/zinc/04/02/94/432040294.db2.gz OAMWGZIAIMMASU-UHFFFAOYSA-N 1 0 323.440 3.430 50 0 DGAARO COc1ccc2[nH]cc(C(=O)C[NH+]3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000004812249 181155101 /nfs/dbraw/zinc/15/51/01/181155101.db2.gz YXARWBMJFNHNLH-STQMWFEESA-N 1 0 300.402 3.337 50 0 DGAARO COc1cccc(OC)c1OC[C@@H](C)C[NH2+]Cc1ccco1 ZINC000004833510 181159413 /nfs/dbraw/zinc/15/94/13/181159413.db2.gz JBVSJKDSDONGIE-ZDUSSCGKSA-N 1 0 305.374 3.102 50 0 DGAARO COc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1OCC(C)C ZINC000004853007 181163111 /nfs/dbraw/zinc/16/31/11/181163111.db2.gz IYQPZYPKHSGKRQ-AWEZNQCLSA-N 1 0 320.433 3.010 50 0 DGAARO CC(=O)c1ccc(OCCOCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000004870284 181167242 /nfs/dbraw/zinc/16/72/42/181167242.db2.gz KFWYNZREJOINPT-OAHLLOKOSA-N 1 0 305.418 3.017 50 0 DGAARO CSc1ccc(-c2nc(CN3CC[NH2+]C[C@@H]3C)c(C)o2)cc1 ZINC000067883971 432045673 /nfs/dbraw/zinc/04/56/73/432045673.db2.gz WAPXZYQNPGSPNJ-LBPRGKRZSA-N 1 0 317.458 3.166 50 0 DGAARO CC[N@@H+]1CCC[C@@H](c2nccn2CCc2cccc(F)c2)C1 ZINC000067909653 432045571 /nfs/dbraw/zinc/04/55/71/432045571.db2.gz WINOJCPSEVULRM-MRXNPFEDSA-N 1 0 301.409 3.464 50 0 DGAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)OC ZINC000005027718 181192514 /nfs/dbraw/zinc/19/25/14/181192514.db2.gz XMRRMXLXIJOTJI-UHFFFAOYSA-N 1 0 321.417 3.059 50 0 DGAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CCCCCC2)cc1 ZINC000005060493 181198327 /nfs/dbraw/zinc/19/83/27/181198327.db2.gz OBGQELOXBOBUHR-KRWDZBQOSA-N 1 0 319.445 3.331 50 0 DGAARO CCCc1nc(-c2nc(CC3CC[NH+](C)CC3)no2)cs1 ZINC000067974276 432047933 /nfs/dbraw/zinc/04/79/33/432047933.db2.gz SHHHBQANPJKEQN-UHFFFAOYSA-N 1 0 306.435 3.030 50 0 DGAARO Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000077298813 191688667 /nfs/dbraw/zinc/68/86/67/191688667.db2.gz CQCNBSLBBSZRLD-HNAYVOBHSA-N 1 0 306.409 3.096 50 0 DGAARO Cc1cc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)on1 ZINC000067983105 432048985 /nfs/dbraw/zinc/04/89/85/432048985.db2.gz KONVZGRGQRYQPO-VQTJNVASSA-N 1 0 322.408 3.487 50 0 DGAARO CC(C)c1cc(NCC[NH+](C)C)n2ncc(-c3ccccc3)c2n1 ZINC000005204843 181216462 /nfs/dbraw/zinc/21/64/62/181216462.db2.gz RVGWVVCEWQLMKP-UHFFFAOYSA-N 1 0 323.444 3.493 50 0 DGAARO Cn1c2ccccc2c2ncnc(NCC[NH+]3CCCCC3)c21 ZINC000005516474 181252237 /nfs/dbraw/zinc/25/22/37/181252237.db2.gz JIPVYFZESIVLRT-UHFFFAOYSA-N 1 0 309.417 3.019 50 0 DGAARO CC[NH+](CC)[C@H](C)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000005591638 181261067 /nfs/dbraw/zinc/26/10/67/181261067.db2.gz JIBDQUYVHSTHGS-MRXNPFEDSA-N 1 0 302.462 3.345 50 0 DGAARO C[C@H](C[N@@H+]1CCOC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000170603049 432073406 /nfs/dbraw/zinc/07/34/06/432073406.db2.gz XJFMVSWEBAUSBV-CQSZACIVSA-N 1 0 309.837 3.325 50 0 DGAARO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F ZINC000180885360 199222667 /nfs/dbraw/zinc/22/26/67/199222667.db2.gz CPZSNSDNYQBBFN-CHWSQXEVSA-N 1 0 318.314 3.030 50 0 DGAARO Cc1ccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000089636937 192830924 /nfs/dbraw/zinc/83/09/24/192830924.db2.gz GNAFJDPYGXBAQZ-KRWDZBQOSA-N 1 0 324.424 3.048 50 0 DGAARO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cnn(C)c1C)CCCS2 ZINC000188278914 200221252 /nfs/dbraw/zinc/22/12/52/200221252.db2.gz WVYOSVPNFQSKPT-INIZCTEOSA-N 1 0 317.458 3.454 50 0 DGAARO Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1F ZINC000237650257 202318047 /nfs/dbraw/zinc/31/80/47/202318047.db2.gz IUUPRSFHAGPXAB-CQSZACIVSA-N 1 0 316.351 3.113 50 0 DGAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)C1 ZINC000237858026 202372710 /nfs/dbraw/zinc/37/27/10/202372710.db2.gz LMEQHTUHDCQGFO-KZNAEPCWSA-N 1 0 300.446 3.128 50 0 DGAARO Cc1ccc(OC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000189346385 200386085 /nfs/dbraw/zinc/38/60/85/200386085.db2.gz OWJDIYOSOILOOV-CYBMUJFWSA-N 1 0 317.351 3.152 50 0 DGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C)o2)N3)C1 ZINC000006205612 181319133 /nfs/dbraw/zinc/31/91/33/181319133.db2.gz MWBHUYSLNLRFEA-CQSZACIVSA-N 1 0 317.414 3.456 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(N)c1)c1cccc(OC(F)(F)F)c1 ZINC000193529883 201069432 /nfs/dbraw/zinc/06/94/32/201069432.db2.gz JZMLSTUMLYDOPJ-JTQLQIEISA-N 1 0 311.307 3.413 50 0 DGAARO C[C@H](CCN1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000193949713 201150985 /nfs/dbraw/zinc/15/09/85/201150985.db2.gz GWRCNGBDJGWAEQ-GOSISDBHSA-N 1 0 316.489 3.224 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000006455709 181342256 /nfs/dbraw/zinc/34/22/56/181342256.db2.gz ZYFHGZJQRRTHOF-UKRRQHHQSA-N 1 0 305.805 3.431 50 0 DGAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000006556185 181354006 /nfs/dbraw/zinc/35/40/06/181354006.db2.gz XXUGCJCPVHCUOK-JKIFEVAISA-N 1 0 311.853 3.480 50 0 DGAARO OC1CCC([NH2+]Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000006650992 181365131 /nfs/dbraw/zinc/36/51/31/181365131.db2.gz MRUMMOWZJOKNLO-UHFFFAOYSA-N 1 0 323.234 3.324 50 0 DGAARO CCOC(=O)C1CC[NH+](CCCCOc2ccccc2C)CC1 ZINC000006702977 181374072 /nfs/dbraw/zinc/37/40/72/181374072.db2.gz CORDAZUXEJIKTC-UHFFFAOYSA-N 1 0 319.445 3.429 50 0 DGAARO CCOc1c(Br)cc(C[NH2+]C2CC2)cc1OC ZINC000006702854 181374303 /nfs/dbraw/zinc/37/43/03/181374303.db2.gz ISENGSAEEAAPGY-UHFFFAOYSA-N 1 0 300.196 3.108 50 0 DGAARO COc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006731177 181379250 /nfs/dbraw/zinc/37/92/50/181379250.db2.gz WPZLFDNAKGOIRF-UHFFFAOYSA-N 1 0 317.433 3.177 50 0 DGAARO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000091548956 193072266 /nfs/dbraw/zinc/07/22/66/193072266.db2.gz DFAGGRNUCBTZOP-CHWSQXEVSA-N 1 0 320.483 3.466 50 0 DGAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCc2ccccc2C1 ZINC000091551929 193072545 /nfs/dbraw/zinc/07/25/45/193072545.db2.gz LQZQXONCBAZJAR-GOSISDBHSA-N 1 0 324.424 3.077 50 0 DGAARO CCCOC[C@@H]1CC[N@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091468825 193060422 /nfs/dbraw/zinc/06/04/22/193060422.db2.gz CFCWCUDCKGYGCS-CYBMUJFWSA-N 1 0 318.392 3.328 50 0 DGAARO Cc1nc(NCCSCc2cccc(Cl)c2)cc(N)[nH+]1 ZINC000091505151 193066393 /nfs/dbraw/zinc/06/63/93/193066393.db2.gz DXWMQUURMHWTGR-UHFFFAOYSA-N 1 0 308.838 3.366 50 0 DGAARO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000091624544 193080736 /nfs/dbraw/zinc/08/07/36/193080736.db2.gz ORIWXOWVPLEMGQ-DLBZAZTESA-N 1 0 303.450 3.154 50 0 DGAARO CN1CC2(CC[NH+](CC3CC3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000092022791 193143008 /nfs/dbraw/zinc/14/30/08/193143008.db2.gz DQWXRTUVAMIOCU-SFHVURJKSA-N 1 0 312.457 3.125 50 0 DGAARO Cc1nc(C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)c2ccccn12 ZINC000091914624 193125744 /nfs/dbraw/zinc/12/57/44/193125744.db2.gz MUCQSJBNXLZKLV-IBGZPJMESA-N 1 0 313.445 3.017 50 0 DGAARO CN1CC2(CCC1=O)CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000092066298 193151136 /nfs/dbraw/zinc/15/11/36/193151136.db2.gz BBGCBBAZAGSSRE-UHFFFAOYSA-N 1 0 323.440 3.069 50 0 DGAARO Fc1ccc([C@@H](CNc2ccncn2)[NH+]2CCCCC2)cc1 ZINC000092077404 193153955 /nfs/dbraw/zinc/15/39/55/193153955.db2.gz CYPSJYDZQLSWBM-MRXNPFEDSA-N 1 0 300.381 3.255 50 0 DGAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000190049413 432117008 /nfs/dbraw/zinc/11/70/08/432117008.db2.gz ICXAXXPDYXPZDF-ZBFHGGJFSA-N 1 0 320.462 3.229 50 0 DGAARO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000106213252 284043871 /nfs/dbraw/zinc/04/38/71/284043871.db2.gz SJAQXDTYFUYVQU-MRXNPFEDSA-N 1 0 317.408 3.301 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccc(Cl)cc2[nH]1 ZINC000229868188 284059196 /nfs/dbraw/zinc/05/91/96/284059196.db2.gz KXGIZQGQNHQYEE-CJNGLKHVSA-N 1 0 317.820 3.178 50 0 DGAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccco1 ZINC000096432962 193640245 /nfs/dbraw/zinc/64/02/45/193640245.db2.gz ZZDAPLYYOVNWEW-BBVFFXRHSA-N 1 0 324.424 3.273 50 0 DGAARO CNC(=O)CC1CC[NH+]([C@@H](C)CCSc2ccccc2)CC1 ZINC000096482636 193664026 /nfs/dbraw/zinc/66/40/26/193664026.db2.gz AKLQIZGJPNCFGF-HNNXBMFYSA-N 1 0 320.502 3.405 50 0 DGAARO CC(C)[NH+](CCNC(=O)c1ccc2ncsc2c1)C(C)C ZINC000009155785 181604947 /nfs/dbraw/zinc/60/49/47/181604947.db2.gz YRTPCQROTHBXPH-UHFFFAOYSA-N 1 0 305.447 3.145 50 0 DGAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000016336949 182040744 /nfs/dbraw/zinc/04/07/44/182040744.db2.gz ZUYQIVSIFIHJPP-UHFFFAOYSA-N 1 0 307.397 3.025 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)CC1 ZINC000016602511 182052011 /nfs/dbraw/zinc/05/20/11/182052011.db2.gz QINBVDOWPDPWIN-INIZCTEOSA-N 1 0 318.461 3.061 50 0 DGAARO Cc1cccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)c1 ZINC000016607336 182053457 /nfs/dbraw/zinc/05/34/57/182053457.db2.gz QWVIJJFSVQGEGO-UHFFFAOYSA-N 1 0 302.462 3.369 50 0 DGAARO COc1ccc(CN2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000019360056 182118678 /nfs/dbraw/zinc/11/86/78/182118678.db2.gz QNGDIOCYHPCMQL-UHFFFAOYSA-N 1 0 318.461 3.154 50 0 DGAARO Cc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019536917 182129306 /nfs/dbraw/zinc/12/93/06/182129306.db2.gz ACFYXKKOCHLEBU-UHFFFAOYSA-N 1 0 324.424 3.042 50 0 DGAARO c1cc(CN2CC[NH+](C3CCCCCC3)CC2)cc2c1OCO2 ZINC000019637641 182134678 /nfs/dbraw/zinc/13/46/78/182134678.db2.gz TWCJHCRWIKYKOB-UHFFFAOYSA-N 1 0 316.445 3.256 50 0 DGAARO Clc1cccc(OCCCC[NH+]2CCOCC2)c1Cl ZINC000019770561 182144194 /nfs/dbraw/zinc/14/41/94/182144194.db2.gz DOTXNOBIRGFJIC-UHFFFAOYSA-N 1 0 304.217 3.485 50 0 DGAARO COC[C@H]1CCCC[N@@H+]1CCCn1c(C)nc2ccccc21 ZINC000019800078 182151605 /nfs/dbraw/zinc/15/16/05/182151605.db2.gz JUPCSSPNWSWSHR-MRXNPFEDSA-N 1 0 301.434 3.236 50 0 DGAARO Cc1cccc(C[NH+]2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000019885253 182160648 /nfs/dbraw/zinc/16/06/48/182160648.db2.gz RFICDTUWEKXGIT-IAGOWNOFSA-N 1 0 302.462 3.069 50 0 DGAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020100548 182187016 /nfs/dbraw/zinc/18/70/16/182187016.db2.gz SNNLHMNAFPGOCH-UHFFFAOYSA-N 1 0 300.446 3.348 50 0 DGAARO CCc1ccc(N2C(=O)C[C@H]([NH2+][C@@H](C)c3ccccc3)C2=O)cc1 ZINC000020082269 182185101 /nfs/dbraw/zinc/18/51/01/182185101.db2.gz IUZKATVGXGGGGI-KSSFIOAISA-N 1 0 322.408 3.232 50 0 DGAARO CCc1ccc(O[C@@H](CC)C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000020192678 182196225 /nfs/dbraw/zinc/19/62/25/182196225.db2.gz 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/nfs/dbraw/zinc/26/82/96/182268296.db2.gz ZVOFIOAVTWJIFC-OAHLLOKOSA-N 1 0 301.434 3.381 50 0 DGAARO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)ccc1O ZINC000021720702 182285851 /nfs/dbraw/zinc/28/58/51/182285851.db2.gz HURITUKWHQUYQE-AWEZNQCLSA-N 1 0 302.374 3.343 50 0 DGAARO C[N@H+](CCNc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000021629800 182281443 /nfs/dbraw/zinc/28/14/43/182281443.db2.gz HSXFCAOWSVRCBU-UHFFFAOYSA-N 1 0 300.406 3.413 50 0 DGAARO COc1ccccc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000021835694 182294358 /nfs/dbraw/zinc/29/43/58/182294358.db2.gz HZSVIMPHWUINRK-MRXNPFEDSA-N 1 0 313.401 3.120 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000021869649 182295697 /nfs/dbraw/zinc/29/56/97/182295697.db2.gz ROFGNFCRKGSAIU-QGZVFWFLSA-N 1 0 316.832 3.302 50 0 DGAARO C[NH+]1CCN(CCCOc2cc(Cl)ccc2Cl)CC1 ZINC000022033823 182305252 /nfs/dbraw/zinc/30/52/52/182305252.db2.gz GDHGJQOYBXSZPS-UHFFFAOYSA-N 1 0 303.233 3.010 50 0 DGAARO CC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022197842 182312932 /nfs/dbraw/zinc/31/29/32/182312932.db2.gz PYBDPZPOURMNON-OKILXGFUSA-N 1 0 302.418 3.196 50 0 DGAARO C[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000023082711 182346892 /nfs/dbraw/zinc/34/68/92/182346892.db2.gz UMMSIPSMUULKGT-UHFFFAOYSA-N 1 0 318.804 3.424 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Cl)c1cccs1 ZINC000023105470 182347668 /nfs/dbraw/zinc/34/76/68/182347668.db2.gz ZYIGPGVKRCABEE-CYBMUJFWSA-N 1 0 308.834 3.434 50 0 DGAARO COc1cc(C[NH2+][C@@H]2COc3ccccc3C2)c(Cl)cc1O ZINC000023129319 182350264 /nfs/dbraw/zinc/35/02/64/182350264.db2.gz QPDMRVFNDUAFGY-ZDUSSCGKSA-N 1 0 319.788 3.148 50 0 DGAARO O=C(Nc1cccnc1Cl)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023580616 182363690 /nfs/dbraw/zinc/36/36/90/182363690.db2.gz VMABSZWRHUXXDE-SECBINFHSA-N 1 0 307.806 3.473 50 0 DGAARO Cc1ccc(O)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000024189503 182376521 /nfs/dbraw/zinc/37/65/21/182376521.db2.gz PHOPKANMWPRHDN-UHFFFAOYSA-N 1 0 324.424 3.226 50 0 DGAARO C[NH+](C)C1(CNC(=O)[C@@]2(C)CC2(Cl)Cl)CCCCCC1 ZINC000024582527 182384758 /nfs/dbraw/zinc/38/47/58/182384758.db2.gz XSDRZCUJFIGBNW-CYBMUJFWSA-N 1 0 321.292 3.341 50 0 DGAARO c1csc(-c2csc(C[NH2+]CCCN3CCOCC3)c2)c1 ZINC000035255938 182765687 /nfs/dbraw/zinc/76/56/87/182765687.db2.gz CBKDVYXZEBDRHB-UHFFFAOYSA-N 1 0 322.499 3.289 50 0 DGAARO c1sc(C2CC[NH2+]CC2)nc1-c1ccc2c(c1)OCCO2 ZINC000036179019 182807687 /nfs/dbraw/zinc/80/76/87/182807687.db2.gz ZITHAEYCBVDJLB-UHFFFAOYSA-N 1 0 302.399 3.048 50 0 DGAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000038584367 183003414 /nfs/dbraw/zinc/00/34/14/183003414.db2.gz HGJRLRFVEJKJOS-UHFFFAOYSA-N 1 0 320.483 3.452 50 0 DGAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1CCCC1 ZINC000038584341 183003440 /nfs/dbraw/zinc/00/34/40/183003440.db2.gz LPKMCZMGCVYXCJ-UHFFFAOYSA-N 1 0 306.475 3.267 50 0 DGAARO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000038580893 183003496 /nfs/dbraw/zinc/00/34/96/183003496.db2.gz URPAQBWFFLNKOE-SECBINFHSA-N 1 0 304.615 3.481 50 0 DGAARO NC(=O)[C@@H]([NH2+]CCCSc1ccc(F)cc1)c1ccccc1 ZINC000040032383 183028876 /nfs/dbraw/zinc/02/88/76/183028876.db2.gz ISHNLNCFWOQGNW-INIZCTEOSA-N 1 0 318.417 3.124 50 0 DGAARO CCc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)o1 ZINC000039542493 183020097 /nfs/dbraw/zinc/02/00/97/183020097.db2.gz LNWMUMGIPBXCMF-QGZVFWFLSA-N 1 0 320.477 3.043 50 0 DGAARO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000040154533 183040764 /nfs/dbraw/zinc/04/07/64/183040764.db2.gz GQKAIRXYKJDTQO-KRWDZBQOSA-N 1 0 314.385 3.017 50 0 DGAARO CC(C)[C@@H](CNC(=O)Cc1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000040089289 183032492 /nfs/dbraw/zinc/03/24/92/183032492.db2.gz DUQRMMRZZVHVQS-GOSISDBHSA-N 1 0 320.452 3.241 50 0 DGAARO Cc1cccc(/C=C/C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000040107577 183036642 /nfs/dbraw/zinc/03/66/42/183036642.db2.gz HEDMPZXLXUPWHV-NXVGNOFTSA-N 1 0 300.446 3.102 50 0 DGAARO Cc1ccc(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000040119883 183037576 /nfs/dbraw/zinc/03/75/76/183037576.db2.gz PGFFNDMASPKTSI-IRXDYDNUSA-N 1 0 317.477 3.162 50 0 DGAARO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc2c(c1)OCO2 ZINC000042791112 183309294 /nfs/dbraw/zinc/30/92/94/183309294.db2.gz PIXHTMUQHWBTGN-GFCCVEGCSA-N 1 0 313.353 3.037 50 0 DGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccccc2Cl)C[C@H]1CCO ZINC000104462799 194009027 /nfs/dbraw/zinc/00/90/27/194009027.db2.gz JOMAKGXTLZYUJX-QGZVFWFLSA-N 1 0 322.880 3.175 50 0 DGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC=CCC1 ZINC000106155155 194189894 /nfs/dbraw/zinc/18/98/94/194189894.db2.gz TUADSHGSRJLZLJ-RTBURBONSA-N 1 0 312.457 3.371 50 0 DGAARO O[C@H](C[N@@H+]1CC[C@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000106632807 194239465 /nfs/dbraw/zinc/23/94/65/194239465.db2.gz UXIAUVBWCVMDTB-WMLDXEAASA-N 1 0 303.352 3.488 50 0 DGAARO Cc1cc(C)n(CCC[N@H+](Cc2ccccn2)CC(C)C)n1 ZINC000055042112 183958789 /nfs/dbraw/zinc/95/87/89/183958789.db2.gz VCGCJTRXTZQKKV-UHFFFAOYSA-N 1 0 300.450 3.443 50 0 DGAARO COc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1OC ZINC000058232398 184092585 /nfs/dbraw/zinc/09/25/85/184092585.db2.gz RBZYYLDVCDOYDG-HNNXBMFYSA-N 1 0 321.804 3.180 50 0 DGAARO O=C(Cc1cccs1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000058142815 184080251 /nfs/dbraw/zinc/08/02/51/184080251.db2.gz VJTAOJURIYHWRX-UHFFFAOYSA-N 1 0 314.454 3.203 50 0 DGAARO NC(=O)c1ccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000058355079 184107648 /nfs/dbraw/zinc/10/76/48/184107648.db2.gz MXFDOLAQIHUZCT-LJQANCHMSA-N 1 0 306.409 3.437 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000058365416 184109526 /nfs/dbraw/zinc/10/95/26/184109526.db2.gz WBEOFHUCTHWKFX-QGZVFWFLSA-N 1 0 300.446 3.271 50 0 DGAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000058391618 184111419 /nfs/dbraw/zinc/11/14/19/184111419.db2.gz OLUHWBCNADXMNT-UHFFFAOYSA-N 1 0 318.436 3.487 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(F)c(Cl)c1 ZINC000058315913 184104731 /nfs/dbraw/zinc/10/47/31/184104731.db2.gz IHHCAAIKXOCMNA-WDEREUQCSA-N 1 0 308.788 3.068 50 0 DGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCCc2ccccc2)C1 ZINC000058316182 184104852 /nfs/dbraw/zinc/10/48/52/184104852.db2.gz IUIGHGUIEIGTOG-SFHVURJKSA-N 1 0 302.462 3.246 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000058429245 184117071 /nfs/dbraw/zinc/11/70/71/184117071.db2.gz UDTJBIVUPDEAIP-AWEZNQCLSA-N 1 0 321.440 3.306 50 0 DGAARO CC(C)c1noc([C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000059812233 184141102 /nfs/dbraw/zinc/14/11/02/184141102.db2.gz CVELBHRFJIQQKE-AWEZNQCLSA-N 1 0 308.470 3.308 50 0 DGAARO C[NH+](C)C(C)(C)CNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000060795645 184155806 /nfs/dbraw/zinc/15/58/06/184155806.db2.gz VFACTUDTWCHJJX-UHFFFAOYSA-N 1 0 311.429 3.182 50 0 DGAARO c1ccc(CN2CCC[C@@H]([NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000060975768 184159027 /nfs/dbraw/zinc/15/90/27/184159027.db2.gz BDMMUVNTSIBPSV-GOSISDBHSA-N 1 0 324.424 3.170 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061031767 184160512 /nfs/dbraw/zinc/16/05/12/184160512.db2.gz LIRABYPLSMAMSI-UHFFFAOYSA-N 1 0 307.438 3.145 50 0 DGAARO C/C(=C\C(=O)N1CCC([NH3+])CC1)c1ccccc1C(F)(F)F ZINC000269108732 207246705 /nfs/dbraw/zinc/24/67/05/207246705.db2.gz HFKZUZWDXRVQMH-ZHACJKMWSA-N 1 0 312.335 3.058 50 0 DGAARO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c2ccccc2n1 ZINC000063490250 184283052 /nfs/dbraw/zinc/28/30/52/184283052.db2.gz NPZCXGCQWVMDAK-HNNXBMFYSA-N 1 0 311.429 3.003 50 0 DGAARO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC000063501340 184283500 /nfs/dbraw/zinc/28/35/00/184283500.db2.gz PMHDVBYEJLZPNV-GOSISDBHSA-N 1 0 318.461 3.479 50 0 DGAARO c1coc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000065286846 184321764 /nfs/dbraw/zinc/32/17/64/184321764.db2.gz GJHZPXYFCBSROP-OAHLLOKOSA-N 1 0 308.385 3.444 50 0 DGAARO c1nnc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1-c1ccccc1 ZINC000065287919 184322759 /nfs/dbraw/zinc/32/27/59/184322759.db2.gz UPOHYIFMBWVXPT-KRWDZBQOSA-N 1 0 319.412 3.042 50 0 DGAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000065395173 184335117 /nfs/dbraw/zinc/33/51/17/184335117.db2.gz JPWZARVVCMOTTO-NVXWUHKLSA-N 1 0 318.461 3.198 50 0 DGAARO Cc1ccc2c(c1)c(C[NH2+][C@H](C)COc1ccccc1)nn2C ZINC000065375518 184331547 /nfs/dbraw/zinc/33/15/47/184331547.db2.gz DLYXDGGVBVLUMR-OAHLLOKOSA-N 1 0 309.413 3.439 50 0 DGAARO COc1cccc([C@@H]2CC[N@H+](C/C=C/c3ccco3)C[C@H]2O)c1 ZINC000065380563 184332025 /nfs/dbraw/zinc/33/20/25/184332025.db2.gz CKGMYHLHUNRBBC-DVRLHHTRSA-N 1 0 313.397 3.152 50 0 DGAARO Cc1cc(-n2nc(C3CC3)nc2-c2ncc(F)cc2F)cc[nH+]1 ZINC000065435392 184344586 /nfs/dbraw/zinc/34/45/86/184344586.db2.gz RXPDHWIYTGOWGD-UHFFFAOYSA-N 1 0 313.311 3.188 50 0 DGAARO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000065458824 184348036 /nfs/dbraw/zinc/34/80/36/184348036.db2.gz IEULIWPVPQGWJI-RHSMWYFYSA-N 1 0 314.433 3.157 50 0 DGAARO CCc1nc(C)sc1C[N@@H+]1CCC=C(C[C@@H](C)NC(C)=O)C1 ZINC000065397193 184335669 /nfs/dbraw/zinc/33/56/69/184335669.db2.gz GOSXNKGMKKETJM-GFCCVEGCSA-N 1 0 321.490 3.061 50 0 DGAARO CS(=O)(=O)CCC[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000254740922 285112749 /nfs/dbraw/zinc/11/27/49/285112749.db2.gz NKOYBCRXVPGQSA-SQVRQVGWSA-N 1 0 321.486 3.379 50 0 DGAARO C[C@H](c1cccs1)[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000157806577 197216284 /nfs/dbraw/zinc/21/62/84/197216284.db2.gz JVZTXVJYBGOQKJ-GFCCVEGCSA-N 1 0 323.487 3.234 50 0 DGAARO [NH3+][C@H]1CC[C@@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000155042764 197017281 /nfs/dbraw/zinc/01/72/81/197017281.db2.gz WTKRAZHLPCUVSS-CABCVRRESA-N 1 0 300.427 3.409 50 0 DGAARO CN1CC[C@@H]([NH2+]C2CCSCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000239667606 256601994 /nfs/dbraw/zinc/60/19/94/256601994.db2.gz BQQLRPWXHHUZQZ-HZPDHXFCSA-N 1 0 312.429 3.195 50 0 DGAARO Cc1cc(CN(C)Cc2ccc(C[NH+]3CCCC3)s2)[nH]n1 ZINC000216508385 257273591 /nfs/dbraw/zinc/27/35/91/257273591.db2.gz UATJZVHSGNJPMA-UHFFFAOYSA-N 1 0 304.463 3.007 50 0 DGAARO c1sc([C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1Cc1ccccc1 ZINC000364631214 257235261 /nfs/dbraw/zinc/23/52/61/257235261.db2.gz HMLGYRBMNHIRDJ-JKSUJKDBSA-N 1 0 300.427 3.270 50 0 DGAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)sc2cccc(F)c12 ZINC000237430987 257238547 /nfs/dbraw/zinc/23/85/47/257238547.db2.gz AXUAZTCAPVNRMI-MWLCHTKSSA-N 1 0 306.406 3.301 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000237405428 257239274 /nfs/dbraw/zinc/23/92/74/257239274.db2.gz HFZFMMSZQZWKNF-VYBLIETJSA-N 1 0 312.335 3.057 50 0 DGAARO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cscn1 ZINC000223533103 257239549 /nfs/dbraw/zinc/23/95/49/257239549.db2.gz SQLSLMFYMWADTC-OAHLLOKOSA-N 1 0 313.467 3.172 50 0 DGAARO CCOCCN1CC[N@@H+]([C@@H](C)CCc2ccccc2)C[C@H]1C ZINC000240569338 257259830 /nfs/dbraw/zinc/25/98/30/257259830.db2.gz GZSUCVASCKHUNC-ZWKOTPCHSA-N 1 0 304.478 3.050 50 0 DGAARO CC[NH+]1CCN(Cc2cc(=O)oc3ccc(C(C)C)cc23)CC1 ZINC000020548597 257260970 /nfs/dbraw/zinc/26/09/70/257260970.db2.gz JXEPWHVYHXCEJQ-UHFFFAOYSA-N 1 0 314.429 3.054 50 0 DGAARO O[C@@H]1c2ccc(-c3ccc(F)cc3)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426529407 285337238 /nfs/dbraw/zinc/33/72/38/285337238.db2.gz PNBZKDFWRACTTL-IEBWSBKVSA-N 1 0 313.372 3.383 50 0 DGAARO CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCSC)CC[C@H]1c1ccccc1 ZINC000121667173 195326198 /nfs/dbraw/zinc/32/61/98/195326198.db2.gz YTYFMAYFDOFJNW-DJIMGWMZSA-N 1 0 320.502 3.109 50 0 DGAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCCO[C@@H]1CCOC1 ZINC000095423735 285518895 /nfs/dbraw/zinc/51/88/95/285518895.db2.gz RLGZRDYXYHHJKP-WBVHZDCISA-N 1 0 317.429 3.218 50 0 DGAARO c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000090456007 285570547 /nfs/dbraw/zinc/57/05/47/285570547.db2.gz JPMPUHWZCBZPEI-PBHICJAKSA-N 1 0 309.413 3.303 50 0 DGAARO Cc1c(CCO)sc[n+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000004996498 400085975 /nfs/dbraw/zinc/08/59/75/400085975.db2.gz BHIXSCAZJAGTND-UHFFFAOYSA-N 1 0 306.495 3.485 50 0 DGAARO O[C@]12CCCC[C@@H]1[C@H](c1cccc(Br)c1)[NH2+]CC2 ZINC000006471273 400091911 /nfs/dbraw/zinc/09/19/11/400091911.db2.gz MBLRVINXDJTALG-ILXRZTDVSA-N 1 0 310.235 3.405 50 0 DGAARO CCCSc1ccccc1N1CC[NH+](CCCCCO)CC1 ZINC000002019397 400081265 /nfs/dbraw/zinc/08/12/65/400081265.db2.gz AMCWNYKVFCIRRT-UHFFFAOYSA-N 1 0 322.518 3.473 50 0 DGAARO CCCCCC[C@H]1NC(=[NH2+])NC(=N)N1c1ccc(Cl)cc1 ZINC000004365424 400085176 /nfs/dbraw/zinc/08/51/76/400085176.db2.gz PTYUSCVACAGDKF-ZDUSSCGKSA-N 1 0 307.829 3.086 50 0 DGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C)c2ncccc12 ZINC000584886513 400120751 /nfs/dbraw/zinc/12/07/51/400120751.db2.gz CWBYUZNXUJTRAJ-CQSZACIVSA-N 1 0 313.445 3.326 50 0 DGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]C1(c2cc(F)cc(F)c2)CC1 ZINC000584892294 400121919 /nfs/dbraw/zinc/12/19/19/400121919.db2.gz DIGQJTWFADQQDQ-LLVKDONJSA-N 1 0 310.388 3.237 50 0 DGAARO C[C@H]([NH2+]CCCNc1ccccc1)c1cccc(-n2cnnc2)c1 ZINC000585134919 400127078 /nfs/dbraw/zinc/12/70/78/400127078.db2.gz PHDAVBFUKATKJU-INIZCTEOSA-N 1 0 321.428 3.420 50 0 DGAARO [NH2+]=C1NC(Nc2cccc3ccccc32)=NC2(CCCCC2)N1 ZINC000022170603 400199925 /nfs/dbraw/zinc/19/99/25/400199925.db2.gz PWNVSXFHPDYQEV-UHFFFAOYSA-N 1 0 307.401 3.186 50 0 DGAARO CC(C)c1nnc2n1C[C@@H](C[NH2+]C/C=C\c1ccccc1)CC2 ZINC000097301503 400284147 /nfs/dbraw/zinc/28/41/47/400284147.db2.gz GBOJEVYLPUZXTB-UXHZXRBQSA-N 1 0 310.445 3.267 50 0 DGAARO CC[NH+](CC)CCSCc1cc(=O)oc2c(C)c(O)ccc12 ZINC000072300654 400380037 /nfs/dbraw/zinc/38/00/37/400380037.db2.gz VTSOCYHCHBKBHJ-UHFFFAOYSA-N 1 0 321.442 3.382 50 0 DGAARO CC(C)(C)OC(=O)NCCC[NH2+]Cc1c(F)cccc1Cl ZINC000072274456 400376962 /nfs/dbraw/zinc/37/69/62/400376962.db2.gz BEQGDDNWLZAVBD-UHFFFAOYSA-N 1 0 316.804 3.484 50 0 DGAARO C[C@@H](CCc1ccccc1)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000072273290 400377336 /nfs/dbraw/zinc/37/73/36/400377336.db2.gz JUQJOOCKDTUXNX-FUHWJXTLSA-N 1 0 302.462 3.103 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000113037343 400378355 /nfs/dbraw/zinc/37/83/55/400378355.db2.gz QMQGMWPJTZZKGJ-BRWVUGGUSA-N 1 0 316.445 3.422 50 0 DGAARO CCn1ccc2ccc(NC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc21 ZINC000127044053 400498104 /nfs/dbraw/zinc/49/81/04/400498104.db2.gz FCKSYWRVRTVIMY-AWEZNQCLSA-N 1 0 314.433 3.077 50 0 DGAARO C[C@H](C(=O)Nc1cccc(-n2cccn2)c1)[NH+]1CCCCCC1 ZINC000074470870 400514602 /nfs/dbraw/zinc/51/46/02/400514602.db2.gz XWUKAHRJAXZUHY-OAHLLOKOSA-N 1 0 312.417 3.075 50 0 DGAARO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)c1C ZINC000076057618 400630698 /nfs/dbraw/zinc/63/06/98/400630698.db2.gz OYPCQRXTAUCZHO-YJBOKZPZSA-N 1 0 302.462 3.286 50 0 DGAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2csc(C3CC3)n2)[C@@H](C)C1 ZINC000076057465 400631247 /nfs/dbraw/zinc/63/12/47/400631247.db2.gz AYMQPSIFMRYTIW-WFASDCNBSA-N 1 0 321.490 3.003 50 0 DGAARO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC000076069400 400631374 /nfs/dbraw/zinc/63/13/74/400631374.db2.gz LRXFRTXINUKHLO-MQVJKMGUSA-N 1 0 317.433 3.140 50 0 DGAARO O=[N+]1C(c2ccco2)=C(c2ccco2)N(O)[C@@H]2CCCC[C@@H]21 ZINC000136464957 400591206 /nfs/dbraw/zinc/59/12/06/400591206.db2.gz ZMWONAZNKRDQRX-NEPJUHHUSA-N 1 0 301.322 3.493 50 0 DGAARO CCn1c2cccc(F)c2nc1C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000075606679 400596984 /nfs/dbraw/zinc/59/69/84/400596984.db2.gz YMSUUVGULZRCEJ-CHWSQXEVSA-N 1 0 315.396 3.131 50 0 DGAARO CC(C)(C)ONC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165414993 400751891 /nfs/dbraw/zinc/75/18/91/400751891.db2.gz QEVGRGKUPSSHIX-UHFFFAOYSA-N 1 0 304.434 3.135 50 0 DGAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC1 ZINC000169781486 400761625 /nfs/dbraw/zinc/76/16/25/400761625.db2.gz SYIOPFUGUGWPIH-INIZCTEOSA-N 1 0 306.475 3.137 50 0 DGAARO C[C@H](Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1cccc(F)c1 ZINC000170592790 400763893 /nfs/dbraw/zinc/76/38/93/400763893.db2.gz DCCGCEYNQSMBRN-LBPRGKRZSA-N 1 0 315.392 3.159 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000078897312 400831749 /nfs/dbraw/zinc/83/17/49/400831749.db2.gz YSOZFGXDDQNSPH-ABAIWWIYSA-N 1 0 312.816 3.216 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000078897324 400831760 /nfs/dbraw/zinc/83/17/60/400831760.db2.gz YSOZFGXDDQNSPH-XHDPSFHLSA-N 1 0 312.816 3.216 50 0 DGAARO Cc1n[nH]cc1C[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000079014953 400840503 /nfs/dbraw/zinc/84/05/03/400840503.db2.gz MQLASMJYJVGHDL-JTQLQIEISA-N 1 0 324.222 3.038 50 0 DGAARO Cc1c([C@H]2CCC[N@@H+]2CCC(=O)c2ccc(F)cc2)cnn1C ZINC000195552572 400924158 /nfs/dbraw/zinc/92/41/58/400924158.db2.gz WQVBIXDVAGLCQC-QGZVFWFLSA-N 1 0 315.392 3.278 50 0 DGAARO CC(C)(O)CSCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000195557654 400925926 /nfs/dbraw/zinc/92/59/26/400925926.db2.gz SBLNFJXRPHZCFF-CQSZACIVSA-N 1 0 313.438 3.133 50 0 DGAARO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(OC)nc1 ZINC000225581012 400958468 /nfs/dbraw/zinc/95/84/68/400958468.db2.gz TXUHDKQSWAOXMD-INIZCTEOSA-N 1 0 314.385 3.102 50 0 DGAARO CCN1CCc2nc(NC(=O)c3csc(C)c3)sc2C1 ZINC000225492437 400959085 /nfs/dbraw/zinc/95/90/85/400959085.db2.gz NIBQXMQQSXWRPW-UHFFFAOYSA-N 1 0 307.444 3.143 50 0 DGAARO CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)C1(C)C ZINC000229550482 400966069 /nfs/dbraw/zinc/96/60/69/400966069.db2.gz NREGRAXTCWAVKI-BZUAXINKSA-N 1 0 301.434 3.285 50 0 DGAARO Fc1cc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cc(F)c1F ZINC000252496729 401094676 /nfs/dbraw/zinc/09/46/76/401094676.db2.gz PQFLSRKOVGMXHS-UHFFFAOYSA-N 1 0 323.318 3.496 50 0 DGAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000253369352 401098721 /nfs/dbraw/zinc/09/87/21/401098721.db2.gz BKHNRUYZQFZMMY-RDTXWAMCSA-N 1 0 321.428 3.280 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)n[nH]3)C2)o1 ZINC000065286943 401263600 /nfs/dbraw/zinc/26/36/00/401263600.db2.gz KFJUIAJQUVPIRU-HNNXBMFYSA-N 1 0 323.400 3.148 50 0 DGAARO CCOc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000066161146 401295143 /nfs/dbraw/zinc/29/51/43/401295143.db2.gz JBKVLIBQLNCLEU-INIZCTEOSA-N 1 0 317.433 3.096 50 0 DGAARO COc1ccc([C@H](NC(=O)C[N@@H+]2CCCC[C@@H]2C)C(C)C)cc1 ZINC000010053440 286374085 /nfs/dbraw/zinc/37/40/85/286374085.db2.gz JLOVKSUFLAXQEE-HNAYVOBHSA-N 1 0 318.461 3.383 50 0 DGAARO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc2cc(Cl)ccc2o1 ZINC000097034475 287049969 /nfs/dbraw/zinc/04/99/69/287049969.db2.gz BCGZDQBKUYFISC-WDEREUQCSA-N 1 0 304.781 3.417 50 0 DGAARO c1coc([C@H](C[NH2+]Cc2cnn3ccccc23)N2CCCCC2)c1 ZINC000171761894 432171005 /nfs/dbraw/zinc/17/10/05/432171005.db2.gz HCELDHVZKOHQSO-SFHVURJKSA-N 1 0 324.428 3.244 50 0 DGAARO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191066230 432217912 /nfs/dbraw/zinc/21/79/12/432217912.db2.gz MNJMGDFYUIIOSS-YESZJQIVSA-N 1 0 314.477 3.396 50 0 DGAARO CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000179006472 228348848 /nfs/dbraw/zinc/34/88/48/228348848.db2.gz AOTRFWLVBJWADI-VFNNOXKTSA-N 1 0 312.413 3.076 50 0 DGAARO O=C(C[C@@H]1CC[NH2+]C1)NCC1(c2ccccc2)CCCCC1 ZINC000299774949 229425247 /nfs/dbraw/zinc/42/52/47/229425247.db2.gz IODWULPMPIVSQU-INIZCTEOSA-N 1 0 300.446 3.004 50 0 DGAARO CC(C)[N@H+](C)CC(=O)Nc1nc2ccccc2n1-c1ccccc1 ZINC000063467723 425900507 /nfs/dbraw/zinc/90/05/07/425900507.db2.gz BZHQXUBQWQGBFE-UHFFFAOYSA-N 1 0 322.412 3.304 50 0 DGAARO CC[NH+]1CCN(c2cccc(N[C@@H](C)c3ccccn3)c2)CC1 ZINC000191178957 432230861 /nfs/dbraw/zinc/23/08/61/432230861.db2.gz RTJGSMBVOUUDOP-INIZCTEOSA-N 1 0 310.445 3.397 50 0 DGAARO CC(C)(O)C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000354964661 265927818 /nfs/dbraw/zinc/92/78/18/265927818.db2.gz IXVYVQLTYXZZEP-INIZCTEOSA-N 1 0 304.821 3.379 50 0 DGAARO CC[NH+](CC)[C@H](C)CNc1ncnc2sc3c(c21)CCC3 ZINC000097261965 273642148 /nfs/dbraw/zinc/64/21/48/273642148.db2.gz LCBKEEXZJTYTMX-LLVKDONJSA-N 1 0 304.463 3.322 50 0 DGAARO C[C@@H]1CCCN(C(=O)c2cnc(-c3cccs3)s2)[C@H]1C[NH3+] ZINC000237451182 274289845 /nfs/dbraw/zinc/28/98/45/274289845.db2.gz SEEQQXVOGDNEQC-MNOVXSKESA-N 1 0 321.471 3.071 50 0 DGAARO Cc1ccc2cc(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)c(C)nc2c1 ZINC000237501863 274781566 /nfs/dbraw/zinc/78/15/66/274781566.db2.gz KCIHKEUBWVWZQF-XJKSGUPXSA-N 1 0 311.429 3.051 50 0 DGAARO Cc1csc2c1ncnc2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000225618439 274832173 /nfs/dbraw/zinc/83/21/73/274832173.db2.gz AWZQNYGZCZIWEM-CYBMUJFWSA-N 1 0 302.447 3.064 50 0 DGAARO O=C1OC2(CN1c1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000071789013 275026627 /nfs/dbraw/zinc/02/66/27/275026627.db2.gz FEVORZJCVGQUKH-UHFFFAOYSA-N 1 0 301.173 3.072 50 0 DGAARO CCCCC1=NC(=O)C2(CC[NH+](C3CCCCCC3)CC2)N1 ZINC000063834068 276226520 /nfs/dbraw/zinc/22/65/20/276226520.db2.gz GPKSVPSVYBTWFG-UHFFFAOYSA-N 1 0 305.466 3.262 50 0 DGAARO C[N@@H+]1CCCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000004748090 277052799 /nfs/dbraw/zinc/05/27/99/277052799.db2.gz DSBXDTHCGUJUEG-UHFFFAOYSA-N 1 0 318.424 3.439 50 0 DGAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1oc2ccc(Cl)cc2c1C ZINC000237150171 277278584 /nfs/dbraw/zinc/27/85/84/277278584.db2.gz MYIBIHYPUWEDJZ-LBPRGKRZSA-N 1 0 306.793 3.219 50 0 DGAARO CO[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000095412285 277335172 /nfs/dbraw/zinc/33/51/72/277335172.db2.gz SLCPSCONXUPUPB-SJORKVTESA-N 1 0 303.450 3.119 50 0 DGAARO COc1ccccc1[C@H](C)[N@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000044914495 278061347 /nfs/dbraw/zinc/06/13/47/278061347.db2.gz LKXIYWZZMJWQRS-ZDUSSCGKSA-N 1 0 317.389 3.013 50 0 DGAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)[C@H](C)n1cccn1 ZINC000069434603 278359786 /nfs/dbraw/zinc/35/97/86/278359786.db2.gz NPJUIGHPMBVODV-CABCVRRESA-N 1 0 307.401 3.079 50 0 DGAARO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000229725241 278390937 /nfs/dbraw/zinc/39/09/37/278390937.db2.gz DDHMTADZXYTAQE-OWCLPIDISA-N 1 0 324.465 3.029 50 0 DGAARO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000252474423 278390958 /nfs/dbraw/zinc/39/09/58/278390958.db2.gz DDHMTADZXYTAQE-OAGGEKHMSA-N 1 0 324.465 3.029 50 0 DGAARO CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000068363707 431126285 /nfs/dbraw/zinc/12/62/85/431126285.db2.gz KBJMFPVZLRIUPB-GOSISDBHSA-N 1 0 323.440 3.347 50 0 DGAARO CCOC(=O)c1c(C[NH+](CC)CC)oc2ccc(OC)cc21 ZINC000000054793 431116122 /nfs/dbraw/zinc/11/61/22/431116122.db2.gz JVKHTMOGDVLAFZ-UHFFFAOYSA-N 1 0 305.374 3.460 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCCC2)c2ccccc12 ZINC000000096649 431122709 /nfs/dbraw/zinc/12/27/09/431122709.db2.gz WDPNGXRIQKAUPQ-KRWDZBQOSA-N 1 0 300.446 3.495 50 0 DGAARO Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000108111129 431122863 /nfs/dbraw/zinc/12/28/63/431122863.db2.gz SQFQXDXUSPEOHV-DOMZBBRYSA-N 1 0 309.841 3.452 50 0 DGAARO CC1CC[NH+](CC(=O)Nc2c3c(nc4ccccc42)CCC3)CC1 ZINC000000104234 431124560 /nfs/dbraw/zinc/12/45/60/431124560.db2.gz BCGPVSHRUNTLIK-UHFFFAOYSA-N 1 0 323.440 3.394 50 0 DGAARO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000096476817 279117599 /nfs/dbraw/zinc/11/75/99/279117599.db2.gz UCKITJSSOUWCIV-JQWIXIFHSA-N 1 0 319.396 3.055 50 0 DGAARO COc1ccccc1C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000000172096 431138476 /nfs/dbraw/zinc/13/84/76/431138476.db2.gz VTXXVKIYLWZZEZ-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 biogenic DGAARO COc1ccccc1[C@H]1N(O)C(C)(C)C(c2ccccc2)[N+]1=O ZINC000000191881 431141645 /nfs/dbraw/zinc/14/16/45/431141645.db2.gz KUTABYUABZUUCP-QGZVFWFLSA-N 1 0 312.369 3.177 50 0 DGAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000000299304 431162259 /nfs/dbraw/zinc/16/22/59/431162259.db2.gz XOQQQIHUJQBIIT-UHFFFAOYSA-N 1 0 302.462 3.369 50 0 DGAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000000299615 431162450 /nfs/dbraw/zinc/16/24/50/431162450.db2.gz DXCSJMBUGNSFTG-UHFFFAOYSA-N 1 0 318.461 3.166 50 0 DGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](O)C2CCCCC2)o1 ZINC000069170630 431168593 /nfs/dbraw/zinc/16/85/93/431168593.db2.gz TYJAWCGQILGNRP-OAHLLOKOSA-N 1 0 303.406 3.009 50 0 DGAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000069368386 431179491 /nfs/dbraw/zinc/17/94/91/431179491.db2.gz DYEPKCCEIDOMOL-NWDGAFQWSA-N 1 0 309.845 3.133 50 0 DGAARO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000069386107 431185139 /nfs/dbraw/zinc/18/51/39/431185139.db2.gz TUHBCZHAOBBSJB-PBHICJAKSA-N 1 0 319.424 3.157 50 0 DGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000069453446 431187635 /nfs/dbraw/zinc/18/76/35/431187635.db2.gz MTYWYQPPLLJYOD-HUUCEWRRSA-N 1 0 309.417 3.321 50 0 DGAARO Cc1ccc([C@H](CNC(=O)C[C@H]2C=CCC2)[NH+]2CCCC2)o1 ZINC000069513614 431191488 /nfs/dbraw/zinc/19/14/88/431191488.db2.gz ZZRGAKFSHAJDIB-HOTGVXAUSA-N 1 0 302.418 3.197 50 0 DGAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000000566805 431201923 /nfs/dbraw/zinc/20/19/23/431201923.db2.gz IDYDMROROFLLRI-UHFFFAOYSA-N 1 0 323.440 3.308 50 0 DGAARO CCC1(CC)[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@H]1OC ZINC000108490615 431145317 /nfs/dbraw/zinc/14/53/17/431145317.db2.gz REFHWWMASNIYCA-FPCVCCKLSA-N 1 0 313.507 3.224 50 0 DGAARO CC1(C)CC(NC(=O)COc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000000195401 431145332 /nfs/dbraw/zinc/14/53/32/431145332.db2.gz UJZLDFKFMUVXKB-UHFFFAOYSA-N 1 0 324.852 3.144 50 0 DGAARO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@H]1COc2ccccc21 ZINC000090845614 279457229 /nfs/dbraw/zinc/45/72/29/279457229.db2.gz VQUZHJIGVSBJBN-MAUKXSAKSA-N 1 0 323.440 3.205 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000000240560 431151093 /nfs/dbraw/zinc/15/10/93/431151093.db2.gz FIBLKMIJVSJMCG-HNNXBMFYSA-N 1 0 308.853 3.420 50 0 DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000000237740 431151800 /nfs/dbraw/zinc/15/18/00/431151800.db2.gz ISPDNSPGFCAIRM-CQSZACIVSA-N 1 0 310.388 3.045 50 0 DGAARO Cc1ccc([C@]2(C)N(O)[C@@H](C)C(c3cccs3)[N+]2=O)cc1 ZINC000000269079 431157034 /nfs/dbraw/zinc/15/70/34/431157034.db2.gz HALJAKZAVQRPQP-BLLLJJGKSA-N 1 0 302.399 3.322 50 0 DGAARO Cc1ccc(S(=O)(=O)Cc2sc3ccccc3[n+]2C)cc1 ZINC000000296885 431159198 /nfs/dbraw/zinc/15/91/98/431159198.db2.gz BHJUIMBAOIOUHQ-UHFFFAOYSA-N 1 0 318.443 3.008 50 0 aggregator DGAARO Clc1ccc(C2([NH2+]C[C@H]3CNc4ccnn4C3)CCC2)cc1 ZINC000069582966 431203013 /nfs/dbraw/zinc/20/30/13/431203013.db2.gz WQOAXHKGMILGBO-CYBMUJFWSA-N 1 0 316.836 3.247 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000069627654 431204448 /nfs/dbraw/zinc/20/44/48/431204448.db2.gz BMAZRRBWTXBIHK-MSOLQXFVSA-N 1 0 300.446 3.095 50 0 DGAARO Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]3[C@H]3CCC[N@H+]3C)cc2c1 ZINC000069619094 431206364 /nfs/dbraw/zinc/20/63/64/431206364.db2.gz QXGYKCFPGHBXPX-QZTJIDSGSA-N 1 0 311.429 3.175 50 0 DGAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccccc2)CC1 ZINC000069617088 431206589 /nfs/dbraw/zinc/20/65/89/431206589.db2.gz IKVDPTNQKBPFSU-UHFFFAOYSA-N 1 0 309.413 3.445 50 0 DGAARO Cc1ccc([C@@]2(C)N(O)[C@H](C)C(c3cccs3)[N+]2=O)cc1 ZINC000001151777 431216271 /nfs/dbraw/zinc/21/62/71/431216271.db2.gz HALJAKZAVQRPQP-WBMJQRKESA-N 1 0 302.399 3.322 50 0 DGAARO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c2ccccc2n1 ZINC000069808310 431221934 /nfs/dbraw/zinc/22/19/34/431221934.db2.gz SZPCVBAMBZCNFH-RBUKOAKNSA-N 1 0 323.440 3.242 50 0 DGAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2Cc2nc3ccccc3o2)c1 ZINC000069818190 431225723 /nfs/dbraw/zinc/22/57/23/431225723.db2.gz NOWVAFNKTGCUTH-HNNXBMFYSA-N 1 0 310.401 3.387 50 0 DGAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000069951579 431233458 /nfs/dbraw/zinc/23/34/58/431233458.db2.gz YQGBPMSLKCPOGI-LJQANCHMSA-N 1 0 312.461 3.240 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000070039935 431238504 /nfs/dbraw/zinc/23/85/04/431238504.db2.gz GELPVQIWAMRQFT-DLBZAZTESA-N 1 0 324.827 3.454 50 0 DGAARO CN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc2ccccc21)C1CC1 ZINC000070039660 431239813 /nfs/dbraw/zinc/23/98/13/431239813.db2.gz WXBYSOYUAOWFEO-LJQANCHMSA-N 1 0 322.452 3.468 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000070172974 431242473 /nfs/dbraw/zinc/24/24/73/431242473.db2.gz UNKKWMMFZAGSBC-VHSXEESVSA-N 1 0 301.217 3.193 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000070172781 431242706 /nfs/dbraw/zinc/24/27/06/431242706.db2.gz PATYZPHLABXJRK-UWVGGRQHSA-N 1 0 301.217 3.193 50 0 DGAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070254019 431246978 /nfs/dbraw/zinc/24/69/78/431246978.db2.gz ZJXORVNBMHJCTO-OCCSQVGLSA-N 1 0 306.837 3.249 50 0 DGAARO Cc1cc(=O)oc2cc(OCCCC[n+]3ccccc3)ccc12 ZINC000002271508 431247135 /nfs/dbraw/zinc/24/71/35/431247135.db2.gz QAYAMSQDJBMBEH-UHFFFAOYSA-N 1 0 310.373 3.248 50 0 biogenic DGAARO CC[NH+](CC)CCn1nc2c3c(cccc3c1=O)-c1ccccc1-2 ZINC000002459149 431252251 /nfs/dbraw/zinc/25/22/51/431252251.db2.gz XNRPWZMOVUAHLY-UHFFFAOYSA-N 1 0 319.408 3.386 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCC2)c2ccc(C)cc12 ZINC000002493222 431254804 /nfs/dbraw/zinc/25/48/04/431254804.db2.gz QFJLVIBQTRNFGH-KRWDZBQOSA-N 1 0 300.446 3.413 50 0 DGAARO CCOc1ccccc1OCCOCC[NH2+]Cc1ccccc1 ZINC000003000393 431279080 /nfs/dbraw/zinc/27/90/80/431279080.db2.gz YKJHEZCKEBEVIO-UHFFFAOYSA-N 1 0 315.413 3.271 50 0 DGAARO Cc1ccc(CN(C(=O)[C@H]([NH3+])c2ccccc2)C2CC2)s1 ZINC000071422141 431280381 /nfs/dbraw/zinc/28/03/81/431280381.db2.gz ZBUCOMDMXBPRCE-MRXNPFEDSA-N 1 0 300.427 3.248 50 0 DGAARO CCOP(=O)(OCC)c1ccc2c(c1)c(C)cc[n+]2CC ZINC000003164919 431284848 /nfs/dbraw/zinc/28/48/48/431284848.db2.gz HEGZIBAERGVICH-UHFFFAOYSA-N 1 0 308.338 3.347 50 0 DGAARO CCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000003218397 431287758 /nfs/dbraw/zinc/28/77/58/431287758.db2.gz HLFXBRFOPYSMJY-UHFFFAOYSA-N 1 0 315.413 3.435 50 0 DGAARO COc1ccccc1-c1ccc(NCC[C@@H]2CCC[N@@H+]2C)nn1 ZINC000071775550 431288193 /nfs/dbraw/zinc/28/81/93/431288193.db2.gz ZQSZABHWXDWRBO-AWEZNQCLSA-N 1 0 312.417 3.048 50 0 DGAARO CCOc1c(OC)cc(C[NH2+]Cc2cccc(O)c2)cc1OC ZINC000071850035 431298243 /nfs/dbraw/zinc/29/82/43/431298243.db2.gz ZCDPPLZVTOHSJH-UHFFFAOYSA-N 1 0 317.385 3.098 50 0 DGAARO CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)CC1 ZINC000071853410 431299924 /nfs/dbraw/zinc/29/99/24/431299924.db2.gz GCYCIGBMJUYXSB-GJZGRUSLSA-N 1 0 306.475 3.103 50 0 DGAARO C[NH+]1CCC(NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000006726923 431317150 /nfs/dbraw/zinc/31/71/50/431317150.db2.gz ICUZJJVUCWIOPK-UHFFFAOYSA-N 1 0 310.397 3.303 50 0 DGAARO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071884633 431308865 /nfs/dbraw/zinc/30/88/65/431308865.db2.gz MTIRSTQVBUSHIV-IXDOHACOSA-N 1 0 318.848 3.140 50 0 DGAARO Cc1noc(C[NH2+]C(C)(C)Cc2ccc(Br)cc2)n1 ZINC000071893045 431310906 /nfs/dbraw/zinc/31/09/06/431310906.db2.gz JWHZTIWJPIFFKI-UHFFFAOYSA-N 1 0 324.222 3.251 50 0 DGAARO FC(F)(F)C1(C(F)(F)F)CC[N@H+](CCc2ccccn2)C1 ZINC000071910200 431314985 /nfs/dbraw/zinc/31/49/85/431314985.db2.gz RPCLYXAJWUZIIF-UHFFFAOYSA-N 1 0 312.257 3.441 50 0 DGAARO COc1ccc(COC[C@H](O)C[NH+](CC(C)C)CC(C)C)cc1 ZINC000002660244 431262782 /nfs/dbraw/zinc/26/27/82/431262782.db2.gz WEWMYMNDIKKMQI-GOSISDBHSA-N 1 0 323.477 3.187 50 0 DGAARO CCCC[C@@H](CC)C[NH2+]C[C@@H](O)COCc1ccc(OC)cc1 ZINC000006939328 431326990 /nfs/dbraw/zinc/32/69/90/431326990.db2.gz ALVXVTRQYGBRMM-SJLPKXTDSA-N 1 0 323.477 3.379 50 0 DGAARO Cc1cccc(OC[C@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000007015485 431328653 /nfs/dbraw/zinc/32/86/53/431328653.db2.gz UXRVMLGSHSRAGA-ZCYBBYNQSA-N 1 0 315.457 3.293 50 0 DGAARO CCCn1ccnc1CN1CCC[N@H+](Cc2cccs2)CC1 ZINC000072149667 431330391 /nfs/dbraw/zinc/33/03/91/431330391.db2.gz KXZVAALQHNVWOW-UHFFFAOYSA-N 1 0 318.490 3.063 50 0 DGAARO C[NH+]1CCN(c2ccccc2NC(=O)CCc2ccccc2)CC1 ZINC000007105715 431333501 /nfs/dbraw/zinc/33/35/01/431333501.db2.gz WTHQUVXFXMZGLY-UHFFFAOYSA-N 1 0 323.440 3.010 50 0 DGAARO Cc1ccc2nc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)cc(=O)n2c1 ZINC000007587587 431352890 /nfs/dbraw/zinc/35/28/90/431352890.db2.gz IJWLSHRONAPGEC-WBVHZDCISA-N 1 0 311.429 3.158 50 0 DGAARO Clc1ccccc1CSc1nnc(C2CC[NH2+]CC2)o1 ZINC000008039416 431377314 /nfs/dbraw/zinc/37/73/14/431377314.db2.gz NHOAZQHALWUXLC-UHFFFAOYSA-N 1 0 309.822 3.482 50 0 DGAARO Clc1cccc(CSc2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000008039418 431377551 /nfs/dbraw/zinc/37/75/51/431377551.db2.gz IAELPPLQDAJUTR-UHFFFAOYSA-N 1 0 309.822 3.482 50 0 DGAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1C ZINC000008128751 431382342 /nfs/dbraw/zinc/38/23/42/431382342.db2.gz XPTAJXLQFUNKBQ-GFCCVEGCSA-N 1 0 308.422 3.158 50 0 DGAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCc1ccc(F)cc1 ZINC000008320628 431392909 /nfs/dbraw/zinc/39/29/09/431392909.db2.gz AVVKEGNGNISMCE-HNNXBMFYSA-N 1 0 318.417 3.341 50 0 DGAARO O=C(Nc1ccccc1F)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008755952 431411631 /nfs/dbraw/zinc/41/16/31/431411631.db2.gz OSFOQGZVJBXGMN-HNNXBMFYSA-N 1 0 313.376 3.222 50 0 DGAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCc1ccc(F)cc1 ZINC000010339682 431460254 /nfs/dbraw/zinc/46/02/54/431460254.db2.gz CBUUGUSRWFJIRE-GOSISDBHSA-N 1 0 312.388 3.279 50 0 DGAARO Cc1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000010328874 431461178 /nfs/dbraw/zinc/46/11/78/431461178.db2.gz LWNLMCFXYHVUEK-GOSISDBHSA-N 1 0 314.404 3.096 50 0 DGAARO c1c(C[NH2+]C2CC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000009417144 431434180 /nfs/dbraw/zinc/43/41/80/431434180.db2.gz ZJPFMZSZKYRFGR-UHFFFAOYSA-N 1 0 304.397 3.245 50 0 DGAARO Cc1c2ccccc2oc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000009502457 431436147 /nfs/dbraw/zinc/43/61/47/431436147.db2.gz CIJQOEKEFILMRH-UHFFFAOYSA-N 1 0 321.380 3.099 50 0 DGAARO 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CCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCc1ccco1 ZINC000036100560 431834820 /nfs/dbraw/zinc/83/48/20/431834820.db2.gz NCOBOKQPVURKHZ-SFHVURJKSA-N 1 0 317.429 3.378 50 0 DGAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COC(C)C)c1 ZINC000036098640 431835339 /nfs/dbraw/zinc/83/53/39/431835339.db2.gz CYUAOJGMJPZQBE-GOSISDBHSA-N 1 0 317.429 3.376 50 0 DGAARO CC(C)OC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036096830 431835379 /nfs/dbraw/zinc/83/53/79/431835379.db2.gz NYSLKVSRLFZZOI-HXUWFJFHSA-N 1 0 313.441 3.475 50 0 DGAARO COc1cc(C[N@H+](CCC(C)C)CC(C)(C)O)cc(OC)c1 ZINC000036115415 431836335 /nfs/dbraw/zinc/83/63/35/431836335.db2.gz LESGQQHOLPBCRK-UHFFFAOYSA-N 1 0 309.450 3.323 50 0 DGAARO Cc1ccccc1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036104540 431837157 /nfs/dbraw/zinc/83/71/57/431837157.db2.gz RJHKUVUZJLQTRV-IBGZPJMESA-N 1 0 311.425 3.399 50 0 DGAARO c1ccc(CCOc2ccc3c(c2)O[C@@]2(C=C3)CC[NH2+]C2)cc1 ZINC000036141904 431837600 /nfs/dbraw/zinc/83/76/00/431837600.db2.gz JRECODUFRXOTCJ-FQEVSTJZSA-N 1 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CC(C)SCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097499704 431970850 /nfs/dbraw/zinc/97/08/50/431970850.db2.gz WGBUWQBJLMOCQF-UHFFFAOYSA-N 1 0 306.475 3.154 50 0 DGAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2c3ccccc3nn2C)c1 ZINC000055042666 431975001 /nfs/dbraw/zinc/97/50/01/431975001.db2.gz ZKRDMYZUCVFJFX-HNNXBMFYSA-N 1 0 308.429 3.340 50 0 DGAARO CCC[NH+](CCC)Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000055060943 431975653 /nfs/dbraw/zinc/97/56/53/431975653.db2.gz CKEVFSDKXSMUJE-GOSISDBHSA-N 1 0 318.461 3.217 50 0 DGAARO COc1ccccc1/C=C\C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000098054436 431976985 /nfs/dbraw/zinc/97/69/85/431976985.db2.gz OUTHWWNIOKLDRR-BLIJAFNYSA-N 1 0 303.402 3.126 50 0 DGAARO CCc1ccc(C[N@H+](CCO)Cc2ccc(SC)cc2)nc1 ZINC000055118845 431977785 /nfs/dbraw/zinc/97/77/85/431977785.db2.gz APEUJDHDZCKNSR-UHFFFAOYSA-N 1 0 316.470 3.360 50 0 DGAARO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000055291852 431979249 /nfs/dbraw/zinc/97/92/49/431979249.db2.gz XXRHVPZJXHCOMR-UHFFFAOYSA-N 1 0 323.440 3.276 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CCOc1cccc2cc([C@H](C)[NH2+]C[C@]3(O)CCSC3)oc21 ZINC000095987977 431932836 /nfs/dbraw/zinc/93/28/36/431932836.db2.gz USNLNJRCEHFWJM-YVEFUNNKSA-N 1 0 321.442 3.350 50 0 DGAARO c1cn(C2CCCC2)nc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095988100 431933056 /nfs/dbraw/zinc/93/30/56/431933056.db2.gz WOITVOIRMASVPJ-KSZLIROESA-N 1 0 315.461 3.436 50 0 DGAARO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(C(N)=O)CC1 ZINC000096004843 431933197 /nfs/dbraw/zinc/93/31/97/431933197.db2.gz GSFZIALCZXAAQS-UHFFFAOYSA-N 1 0 324.424 3.060 50 0 DGAARO Fc1ccc(N2CC[C@H]([NH2+]Cc3cscn3)C2)cc1Cl ZINC000095994171 431933499 /nfs/dbraw/zinc/93/34/99/431933499.db2.gz ILCYTGYXIUDBKY-JTQLQIEISA-N 1 0 311.813 3.304 50 0 DGAARO C[NH+]1CCC(CC(=O)NC(C)(C)c2cccc(Cl)c2)CC1 ZINC000096012418 431934036 /nfs/dbraw/zinc/93/40/36/431934036.db2.gz YBANLEDPWNBTFR-UHFFFAOYSA-N 1 0 308.853 3.423 50 0 DGAARO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)s1 ZINC000125715703 431934753 /nfs/dbraw/zinc/93/47/53/431934753.db2.gz 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/nfs/dbraw/zinc/94/34/07/431943407.db2.gz STAVUZURFHZWTF-FOCLMDBBSA-N 1 0 300.446 3.166 50 0 DGAARO c1ccc(SCC[NH+]2CCC(OC3CCOCC3)CC2)cc1 ZINC000096417434 431946924 /nfs/dbraw/zinc/94/69/24/431946924.db2.gz SLIOCMWIKUJAIC-UHFFFAOYSA-N 1 0 321.486 3.439 50 0 DGAARO CCCC[C@@H](CC)C[NH+]1CCC(n2cc(C(C)(C)O)nn2)CC1 ZINC000055369569 431980198 /nfs/dbraw/zinc/98/01/98/431980198.db2.gz OHOZOCIXUPQRFO-OAHLLOKOSA-N 1 0 322.497 3.359 50 0 DGAARO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)Cc3ccccc3)c2cc1C ZINC000051085948 431949732 /nfs/dbraw/zinc/94/97/32/431949732.db2.gz UJGDDZMSHNJTMI-GOSISDBHSA-N 1 0 323.440 3.146 50 0 DGAARO CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000096450625 431950948 /nfs/dbraw/zinc/95/09/48/431950948.db2.gz VULODGWEZDNSRM-JKSUJKDBSA-N 1 0 306.475 3.152 50 0 DGAARO C[S@](=O)c1ccc(C[NH2+]CCSc2ccccc2F)cc1 ZINC000096461184 431951600 /nfs/dbraw/zinc/95/16/00/431951600.db2.gz XQTCUGXSPSOGCZ-OAQYLSRUSA-N 1 0 323.458 3.445 50 0 DGAARO OC1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCSCC1 ZINC000096484924 431953541 /nfs/dbraw/zinc/95/35/41/431953541.db2.gz UZPIAUAJASBIMZ-UHFFFAOYSA-N 1 0 323.355 3.192 50 0 DGAARO CCNC(=O)N1CCC([NH2+][C@@H](CC)Cc2ccc(C)cc2)CC1 ZINC000096492723 431953996 /nfs/dbraw/zinc/95/39/96/431953996.db2.gz HAKLGSJYMYTKGI-KRWDZBQOSA-N 1 0 317.477 3.100 50 0 DGAARO CC(C)CCNC(=O)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000052043258 431954298 /nfs/dbraw/zinc/95/42/98/431954298.db2.gz WCABUHWNDGOMAN-UHFFFAOYSA-N 1 0 306.425 3.200 50 0 DGAARO CC[C@H](CCO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000096496281 431954949 /nfs/dbraw/zinc/95/49/49/431954949.db2.gz MUWJFGNWSGYBLT-GFCCVEGCSA-N 1 0 323.234 3.248 50 0 DGAARO Cn1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1=O ZINC000052515289 431956615 /nfs/dbraw/zinc/95/66/15/431956615.db2.gz QNSOSDTUPMPGJT-KRWDZBQOSA-N 1 0 302.805 3.280 50 0 DGAARO OC[C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)Cc1ccccn1 ZINC000097034625 431957201 /nfs/dbraw/zinc/95/72/01/431957201.db2.gz YOWIOKXKKQZEEK-IFXJQAMLSA-N 1 0 314.404 3.039 50 0 DGAARO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc2ccccc2o1 ZINC000097038997 431957755 /nfs/dbraw/zinc/95/77/55/431957755.db2.gz VPZBWVWQRPQORI-HIFRSBDPSA-N 1 0 317.385 3.006 50 0 DGAARO C[N@@H+]1CCCN(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000097050899 431958942 /nfs/dbraw/zinc/95/89/42/431958942.db2.gz XZZLYJOTCLQDTC-UHFFFAOYSA-N 1 0 309.413 3.108 50 0 DGAARO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)ccc1-n1cncn1 ZINC000097058733 431958957 /nfs/dbraw/zinc/95/89/57/431958957.db2.gz QIOJVQFEZJQFDR-HNNXBMFYSA-N 1 0 307.401 3.164 50 0 DGAARO C[C@@H](OC(=O)c1ccn2c[nH+]cc2c1)c1nc2ccccc2o1 ZINC000097081458 431959302 /nfs/dbraw/zinc/95/93/02/431959302.db2.gz UZCDDYBQGMYAFX-LLVKDONJSA-N 1 0 307.309 3.394 50 0 DGAARO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000097081023 431959311 /nfs/dbraw/zinc/95/93/11/431959311.db2.gz BXYBQIQZEMVDTA-CYBMUJFWSA-N 1 0 317.458 3.038 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000097095780 431960997 /nfs/dbraw/zinc/96/09/97/431960997.db2.gz FFJLTUBFEBEPSM-VXGBXAGGSA-N 1 0 311.451 3.069 50 0 DGAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097139186 431962624 /nfs/dbraw/zinc/96/26/24/431962624.db2.gz GYPWFNWIMCCLFO-HNNXBMFYSA-N 1 0 308.429 3.356 50 0 DGAARO O=c1[nH]c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000097139476 431962722 /nfs/dbraw/zinc/96/27/22/431962722.db2.gz INLNDRBFKOYQCK-HNNXBMFYSA-N 1 0 311.410 3.322 50 0 DGAARO COCc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)cc1 ZINC000097159514 431963012 /nfs/dbraw/zinc/96/30/12/431963012.db2.gz FJMBLCCNPZUOOQ-UHFFFAOYSA-N 1 0 311.385 3.414 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000097159137 431963171 /nfs/dbraw/zinc/96/31/71/431963171.db2.gz HTOCDZFKHHTWAH-OAHLLOKOSA-N 1 0 312.461 3.323 50 0 DGAARO C[N@H+](Cc1nc2ccccc2[nH]c1=O)[C@H]1CCCc2ccccc21 ZINC000097201169 431963877 /nfs/dbraw/zinc/96/38/77/431963877.db2.gz DAHZQWYOGVLHBX-IBGZPJMESA-N 1 0 319.408 3.433 50 0 DGAARO Cn1c2ccccc2nc(C[N@H+](C)[C@H]2CCc3ccccc32)c1=O ZINC000097201331 431964002 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CC[NH+]1CCC(C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000097360183 431967857 /nfs/dbraw/zinc/96/78/57/431967857.db2.gz VEPIGXBTCFUANR-LJQANCHMSA-N 1 0 323.440 3.019 50 0 DGAARO C[C@H](CNC(=O)CCc1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000055541459 431983357 /nfs/dbraw/zinc/98/33/57/431983357.db2.gz SPVAUUYFIYUIBA-GFCCVEGCSA-N 1 0 314.882 3.182 50 0 DGAARO C[C@@H](CNC(=O)c1cc2ccccc2s1)C[NH+]1CCCC1 ZINC000055539305 431983468 /nfs/dbraw/zinc/98/34/68/431983468.db2.gz JDSNUNMIWRDIKY-ZDUSSCGKSA-N 1 0 302.443 3.363 50 0 DGAARO CCOc1ccccc1OCC[N@H+](C)Cc1[nH]c(CC)nc1C ZINC000055413365 431981993 /nfs/dbraw/zinc/98/19/93/431981993.db2.gz GAADLOYXHLEOPA-UHFFFAOYSA-N 1 0 317.433 3.190 50 0 DGAARO Cc1ccc2c(c1)SCC(=O)N2C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000095383884 281081791 /nfs/dbraw/zinc/08/17/91/281081791.db2.gz WADLIDGCYXAJMR-AWEZNQCLSA-N 1 0 304.459 3.164 50 0 DGAARO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]1c1nncn1C ZINC000248384758 432283516 /nfs/dbraw/zinc/28/35/16/432283516.db2.gz FYIHINSFRYPNKM-CJNGLKHVSA-N 1 0 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FIKLJWUXORCDNP-MRXNPFEDSA-N 1 0 302.368 3.329 50 0 DGAARO CC(C)c1nc([C@@H]2CCCN(CC[NH2+]C3CCCCC3)C2)no1 ZINC000084631061 545791154 /nfs/dbraw/zinc/79/11/54/545791154.db2.gz WHEFDHKNITVRQA-OAHLLOKOSA-N 1 0 320.481 3.295 50 0 DGAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cn[nH]c3)C2)cc1OC ZINC000092810116 545851138 /nfs/dbraw/zinc/85/11/38/545851138.db2.gz SRSACEXFEPLWHC-OAHLLOKOSA-N 1 0 315.417 3.197 50 0 DGAARO Cc1cn2c(C[N@@H+]3CCC[C@H](c4cn[nH]c4)C3)c(C)nc2s1 ZINC000092810017 545851394 /nfs/dbraw/zinc/85/13/94/545851394.db2.gz DWIQQLQLIAPOAN-ZDUSSCGKSA-N 1 0 315.446 3.115 50 0 DGAARO Cc1nnc([C@H](C)N[C@H](C)c2ccc(-n3ccnc3C)cc2)o1 ZINC000097081923 545864527 /nfs/dbraw/zinc/86/45/27/545864527.db2.gz RBYQKXBFUZPKOS-NEPJUHHUSA-N 1 0 311.389 3.284 50 0 DGAARO Cc1cc(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)on1 ZINC000215085463 546261272 /nfs/dbraw/zinc/26/12/72/546261272.db2.gz SHNFCEUEMGRNFJ-UHFFFAOYSA-N 1 0 310.401 3.249 50 0 DGAARO Cc1ccccc1CN(C(=O)C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000215160784 546261986 /nfs/dbraw/zinc/26/19/86/546261986.db2.gz AAXMDIWHEBXLPX-MRXNPFEDSA-N 1 0 300.446 3.266 50 0 DGAARO CC[NH+]1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000230553723 546274051 /nfs/dbraw/zinc/27/40/51/546274051.db2.gz QPERMJFMXVQFTR-UHFFFAOYSA-N 1 0 317.658 3.240 50 0 DGAARO C[C@H]1C[C@@H](C[NH+]2CCC3(CC2)OCCc2ccsc23)CCO1 ZINC000353153603 546658863 /nfs/dbraw/zinc/65/88/63/546658863.db2.gz QHZDBTMEJVNKRE-GJZGRUSLSA-N 1 0 321.486 3.427 50 0 DGAARO C/C=C1/C[N@@H+]2CC[C@]3(c4ccccc4N)c4oncc4[C@H]1C[C@H]23 ZINC000524731075 546966428 /nfs/dbraw/zinc/96/64/28/546966428.db2.gz JKZVPBBODBGMJC-UQZDHWHBSA-N 1 0 307.397 3.064 50 0 biogenic DGAARO COc1ccccc1-c1ncc(C[N@H+]2CC[C@H](OC)C2)s1 ZINC000670444655 547754977 /nfs/dbraw/zinc/75/49/77/547754977.db2.gz BTJBTVQIMHHKFB-LBPRGKRZSA-N 1 0 304.415 3.039 50 0 DGAARO c1cnn(Cc2ccccc2C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000670446871 547755529 /nfs/dbraw/zinc/75/55/29/547755529.db2.gz UFHKEDKFWDJPFQ-GOSISDBHSA-N 1 0 321.428 3.034 50 0 DGAARO COc1cccc(N2CC[N@@H+]([C@H]3CCSC3)CC2(C)C)c1 ZINC000670456239 547757119 /nfs/dbraw/zinc/75/71/19/547757119.db2.gz ZRYHSUOULSIBDU-HNNXBMFYSA-N 1 0 306.475 3.101 50 0 DGAARO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000670461044 547757671 /nfs/dbraw/zinc/75/76/71/547757671.db2.gz VTTBBDYQURQSQV-LBPRGKRZSA-N 1 0 305.315 3.437 50 0 DGAARO CCC[N@@H+]1CCC[C@@H](c2nc(COc3ccccc3)no2)C1 ZINC000685943792 549810574 /nfs/dbraw/zinc/81/05/74/549810574.db2.gz WMFRJOPEPGABKV-CQSZACIVSA-N 1 0 301.390 3.238 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ncc(Cl)n1C ZINC000888098641 618625426 /nfs/dbraw/zinc/62/54/26/618625426.db2.gz MNQJPFSYQOSURJ-LLVKDONJSA-N 1 0 317.824 3.082 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1(n2cccc2)CCCCC1 ZINC000888103933 618626724 /nfs/dbraw/zinc/62/67/24/618626724.db2.gz LYYSGTSWICWBTI-QGZVFWFLSA-N 1 0 317.477 3.138 50 0 DGAARO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCNc2ccccc2)cn1 ZINC000863983889 621724571 /nfs/dbraw/zinc/72/45/71/621724571.db2.gz MJYFKPJWKUUGAV-PKOBYXMFSA-N 1 0 312.461 3.223 50 0 DGAARO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCn1c(C)nc2ccccc21 ZINC000863983603 621724787 /nfs/dbraw/zinc/72/47/87/621724787.db2.gz JBCSXOHBVRRIED-HNNXBMFYSA-N 1 0 310.401 3.308 50 0 DGAARO OC[C@@H]1C[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1c1ccsc1 ZINC000809724490 626941659 /nfs/dbraw/zinc/94/16/59/626941659.db2.gz MGWJAPMFSBTIQQ-ZFWWWQNUSA-N 1 0 320.483 3.290 50 0 DGAARO CCc1cc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)on1 ZINC000012459285 660600813 /nfs/dbraw/zinc/60/08/13/660600813.db2.gz NJLAHUIVTGAGGH-MRXNPFEDSA-N 1 0 319.449 3.012 50 0 DGAARO [NH3+][C@@H]1CCN(C2CCN(c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000022891353 655760194 /nfs/dbraw/zinc/76/01/94/655760194.db2.gz BQHZNTMZUKZPHB-LJQANCHMSA-N 1 0 321.468 3.355 50 0 DGAARO O=C1CC[C@@H]([NH+]2CCCCC2)CCN1Cc1ccc(F)cc1 ZINC000023541351 655952986 /nfs/dbraw/zinc/95/29/86/655952986.db2.gz UJDNYOBSPDBQJG-QGZVFWFLSA-N 1 0 304.409 3.193 50 0 DGAARO Cc1ccn(CCN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)n1 ZINC000019795102 656066689 /nfs/dbraw/zinc/06/66/89/656066689.db2.gz WTTGVDMGLUCNAN-INIZCTEOSA-N 1 0 313.380 3.044 50 0 DGAARO CC[N@H+](CCc1ccccc1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000178395555 656260374 /nfs/dbraw/zinc/26/03/74/656260374.db2.gz WUDINJNUBTYSIR-UHFFFAOYSA-N 1 0 324.428 3.486 50 0 DGAARO c1nc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c[nH]1 ZINC000015067177 658008596 /nfs/dbraw/zinc/00/85/96/658008596.db2.gz JLSGWVGGOWMNJM-LJQANCHMSA-N 1 0 316.493 3.278 50 0 DGAARO Fc1ccc(/C=C/C[NH+]2CCC(OC3CCOCC3)CC2)cc1 ZINC000093140827 658371562 /nfs/dbraw/zinc/37/15/62/658371562.db2.gz DQNBHUUCCLUHFU-OWOJBTEDSA-N 1 0 319.420 3.499 50 0 DGAARO CC[NH+](CC)CCn1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067742734 658399489 /nfs/dbraw/zinc/39/94/89/658399489.db2.gz NEVJUFZMEQGXGD-UHFFFAOYSA-N 1 0 309.417 3.282 50 0 DGAARO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cnc(C)s2)cc1 ZINC000179943474 659947801 /nfs/dbraw/zinc/94/78/01/659947801.db2.gz IJQRCVAJYORZTF-NSHDSACASA-N 1 0 324.471 3.096 50 0 DGAARO COc1ccc(-c2cccc3cccnc32)cc1C[C@H](C[NH3+])CO ZINC000935616687 661797127 /nfs/dbraw/zinc/79/71/27/661797127.db2.gz GGLKKCLMNDLWJC-CQSZACIVSA-N 1 0 322.408 3.020 50 0 DGAARO COc1ccc(C[C@@H](C[NH3+])CO)cc1-c1cccc2cccnc21 ZINC000935619768 661797158 /nfs/dbraw/zinc/79/71/58/661797158.db2.gz ZWLLQIILBFCAKU-HNNXBMFYSA-N 1 0 322.408 3.020 50 0 DGAARO CN1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000952967161 662208926 /nfs/dbraw/zinc/20/89/26/662208926.db2.gz YHWDEKZBUYGTLY-INIZCTEOSA-N 1 0 323.431 3.008 50 0 DGAARO O=C(NCc1cccc2[nH]ccc21)C1([NH+]2CCCC2)CCCC1 ZINC000952974521 662209241 /nfs/dbraw/zinc/20/92/41/662209241.db2.gz DWTNNGMTZFOBQW-UHFFFAOYSA-N 1 0 311.429 3.193 50 0 DGAARO CC(C)c1nccc(C[NH2+]CCN2CCCc3ccccc32)n1 ZINC000952979609 662209802 /nfs/dbraw/zinc/20/98/02/662209802.db2.gz NVRZOIJTXNNRJZ-UHFFFAOYSA-N 1 0 310.445 3.142 50 0 DGAARO CN1CCCC[C@@H]1C[N@H+](C)C1CCN(c2cccc(F)c2)CC1 ZINC000952976994 662209969 /nfs/dbraw/zinc/20/99/69/662209969.db2.gz IKZPLAFPANHZPL-LJQANCHMSA-N 1 0 319.468 3.211 50 0 DGAARO Cc1ccc2[nH]c(CNCC(C)(C)C[NH+]3CCCC3)nc2c1 ZINC000952984858 662210104 /nfs/dbraw/zinc/21/01/04/662210104.db2.gz XSOALBATYOBIEM-UHFFFAOYSA-N 1 0 300.450 3.083 50 0 DGAARO Cc1n[nH]c(CNCC2([NH+]3CCCCC3)CCCC2)c1Cl ZINC000952991342 662210597 /nfs/dbraw/zinc/21/05/97/662210597.db2.gz XOEDPIWFGBKEFV-UHFFFAOYSA-N 1 0 310.873 3.260 50 0 DGAARO c1ccc([C@@H]([NH2+]Cc2cccnc2N2CCOCC2)C2CC2)cc1 ZINC000091283898 662299307 /nfs/dbraw/zinc/29/93/07/662299307.db2.gz YLXCXUFHKYKYSS-LJQANCHMSA-N 1 0 323.440 3.159 50 0 DGAARO c1cc2c(c(C[NH+]3CCC(OC4CCCC4)CC3)c1)OCO2 ZINC000092758687 662335154 /nfs/dbraw/zinc/33/51/54/662335154.db2.gz XZQIEHIXIIYRAR-UHFFFAOYSA-N 1 0 303.402 3.339 50 0 DGAARO O[C@@H](CC1CCCC1)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000248959720 662362282 /nfs/dbraw/zinc/36/22/82/662362282.db2.gz PJRTWNOZBAVQPI-IBGZPJMESA-N 1 0 302.462 3.140 50 0 DGAARO CCN(Cc1cnc(-c2cccc(C)c2)nc1)C[C@@H]1CC[N@H+](C)C1 ZINC000063868481 685053253 /nfs/dbraw/zinc/05/32/53/685053253.db2.gz OPKHNFJZPDWWQE-QGZVFWFLSA-N 1 0 324.472 3.226 50 0 DGAARO Cc1ccc(Cl)c(OCC[N@@H+]2CC[C@H](O)C[C@@H]2C2CC2)c1 ZINC001772705696 1176672649 /nfs/dbraw/zinc/67/26/49/1176672649.db2.gz MOGLCGJSARJYJA-GOEBONIOSA-N 1 0 309.837 3.263 50 0 DGAARO Cc1ccc(NC(C)(C)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001506399367 1186221319 /nfs/dbraw/zinc/22/13/19/1186221319.db2.gz MQLAKNWWFXGLIS-MRXNPFEDSA-N 1 0 317.477 3.176 50 0 DGAARO COCC[NH2+]CCOc1ccc(C)cc1-c1ccc(OC)cc1 ZINC001506400845 1186221561 /nfs/dbraw/zinc/22/15/61/1186221561.db2.gz XNWBWEIKKOJKBF-UHFFFAOYSA-N 1 0 315.413 3.285 50 0 DGAARO CCc1nccn1C[C@@H](C)N1CC(Oc2ccccc2CC)C1 ZINC001506403138 1186221625 /nfs/dbraw/zinc/22/16/25/1186221625.db2.gz RSXXYLHUAHLYEG-OAHLLOKOSA-N 1 0 313.445 3.160 50 0 DGAARO Cc1cc(C)n(-c2ccccc2C[N@H+](C)Cc2c[nH]nc2C)n1 ZINC001506398923 1186222207 /nfs/dbraw/zinc/22/22/07/1186222207.db2.gz HUDYCDPXKAEILN-UHFFFAOYSA-N 1 0 309.417 3.153 50 0 DGAARO c1ccc(CO[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)nc1 ZINC001506406088 1186223235 /nfs/dbraw/zinc/22/32/35/1186223235.db2.gz PRPLZTBZTCHDDC-HXUWFJFHSA-N 1 0 308.425 3.230 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CNc1ccc(-c2ccc(F)cc2)nn1 ZINC001506406259 1186223585 /nfs/dbraw/zinc/22/35/85/1186223585.db2.gz FTHBLOBWXUTDNH-OAHLLOKOSA-N 1 0 300.381 3.179 50 0 DGAARO OC1(c2ccccc2)CC[NH+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506410584 1186223793 /nfs/dbraw/zinc/22/37/93/1186223793.db2.gz VSJZLCDFDLKSKX-HXUWFJFHSA-N 1 0 322.452 3.249 50 0 DGAARO Oc1cccc(C2CC[NH+](C3CSCCSC3)CC2)c1 ZINC001506419245 1186225142 /nfs/dbraw/zinc/22/51/42/1186225142.db2.gz ZWWWBRZNJSHPID-UHFFFAOYSA-N 1 0 309.500 3.420 50 0 DGAARO CSc1ccc(NC(=O)N(C)C[C@]2(C)CC[N@H+](C)C2)cc1 ZINC001506418484 1186225835 /nfs/dbraw/zinc/22/58/35/1186225835.db2.gz QCVMETCDCQHMRL-MRXNPFEDSA-N 1 0 307.463 3.214 50 0 DGAARO C[N@H+](Cc1cccc2ccccc21)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001529090336 1187531397 /nfs/dbraw/zinc/53/13/97/1187531397.db2.gz GUZUUTDIFJRJQG-FGTMMUONSA-N 1 0 308.425 3.186 50 0 DGAARO Cc1ccccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529161775 1187537759 /nfs/dbraw/zinc/53/77/59/1187537759.db2.gz PLDBGSJWFBIMJL-WNKDZCFJSA-N 1 0 300.446 3.186 50 0 DGAARO C[C@H](CC(=O)Nc1ccnn1C1CCCC1)[NH+]1CCCCC1 ZINC001529196610 1187540794 /nfs/dbraw/zinc/54/07/94/1187540794.db2.gz CISSRTGXKIMFRH-CQSZACIVSA-N 1 0 304.438 3.201 50 0 DGAARO CC(C)(C)c1ccc(C[N@H+]2C[C@@H](Cc3ccccn3)[C@H](O)C2)cc1 ZINC001704301436 1202519366 /nfs/dbraw/zinc/51/93/66/1202519366.db2.gz ZJMWLBQDHGHNMQ-YLJYHZDGSA-N 1 0 324.468 3.415 50 0 DGAARO Cc1ccc(OCC[N@@H+]2CCC[C@]3(CCC[C@H]3O)C2)c(C)c1 ZINC001704302413 1202519788 /nfs/dbraw/zinc/51/97/88/1202519788.db2.gz JXPDCQKNQHBMCN-RTBURBONSA-N 1 0 303.446 3.309 50 0 DGAARO Cc1ncc(C[N@H+](CCO)CCC2=C(C)CCCC2(C)C)[nH]1 ZINC001704306814 1202519865 /nfs/dbraw/zinc/51/98/65/1202519865.db2.gz YIYYLCNAXHIOIK-UHFFFAOYSA-N 1 0 305.466 3.429 50 0 DGAARO Cc1ncc(Cl)c(N2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC001704312999 1202520435 /nfs/dbraw/zinc/52/04/35/1202520435.db2.gz KIKITRWBZCNRKV-UHFFFAOYSA-N 1 0 308.857 3.283 50 0 DGAARO CC[N@H+](C)C1(CNc2ncc(C(C)=O)c(C)n2)CCCCC1 ZINC001704324743 1202521100 /nfs/dbraw/zinc/52/11/00/1202521100.db2.gz FEOIWFQIQZXWJZ-UHFFFAOYSA-N 1 0 304.438 3.054 50 0 DGAARO NC(=O)COc1cccc(C[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC001704353838 1202522691 /nfs/dbraw/zinc/52/26/91/1202522691.db2.gz MSYOZISKOACLKS-UHFFFAOYSA-N 1 0 316.445 3.097 50 0 DGAARO CCn1nc([C@@H]2CCCC[N@@H+]2C2CCCC2)c2c1CCOC2 ZINC000675011482 1083446340 /nfs/dbraw/zinc/44/63/40/1083446340.db2.gz QLHUOSMPJAMVRU-KRWDZBQOSA-N 1 0 303.450 3.445 50 0 DGAARO CCc1nccn1C[C@H](C)[NH2+]CCOc1cccc2cccnc21 ZINC000823557356 1091695031 /nfs/dbraw/zinc/69/50/31/1091695031.db2.gz NDBOTZKVGMCUMA-HNNXBMFYSA-N 1 0 324.428 3.051 50 0 DGAARO COc1ncc(C[NH+]2CCC(CCc3ccccc3)CC2)cn1 ZINC000824852090 1091728719 /nfs/dbraw/zinc/72/87/19/1091728719.db2.gz RMCHPJHRXJYYBY-UHFFFAOYSA-N 1 0 311.429 3.330 50 0 DGAARO O=C(c1ccccc1F)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581788076 1092273023 /nfs/dbraw/zinc/27/30/23/1092273023.db2.gz RRCHBEZTAXLHIM-OAHLLOKOSA-N 1 0 304.409 3.164 50 0 DGAARO Cc1cccc(OCCc2noc([C@H]3CCCCN3C)n2)c1 ZINC000581797712 1092273959 /nfs/dbraw/zinc/27/39/59/1092273959.db2.gz LTEBEKJDISYURW-OAHLLOKOSA-N 1 0 301.390 3.156 50 0 DGAARO Cc1cccc(CN2CC([N@H+](CC3CC3)C3CCOCC3)C2)c1 ZINC000581794699 1092278452 /nfs/dbraw/zinc/27/84/52/1092278452.db2.gz OLSBKMUUILKUPF-UHFFFAOYSA-N 1 0 314.473 3.070 50 0 DGAARO CCN(CC)C(=O)N1CCC[C@H](Cn2c(C)c[nH+]c2C2CC2)C1 ZINC000581806996 1092281880 /nfs/dbraw/zinc/28/18/80/1092281880.db2.gz GXDYXPCBVOWXGX-HNNXBMFYSA-N 1 0 318.465 3.243 50 0 DGAARO Cc1c[nH+]c(CC2CCN(C(=O)C(C)C)CC2)n1CC1CC1 ZINC000581816625 1092283226 /nfs/dbraw/zinc/28/32/26/1092283226.db2.gz IFUHIGXDCGJETB-UHFFFAOYSA-N 1 0 303.450 3.039 50 0 DGAARO CCC(=O)N1CCOc2ccc(C[NH+]3CCCCCC3)cc2C1 ZINC000581819952 1092285696 /nfs/dbraw/zinc/28/56/96/1092285696.db2.gz FOAMFWNCRMJJHO-UHFFFAOYSA-N 1 0 316.445 3.194 50 0 DGAARO CN(C)c1ncccc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000585084677 1094978871 /nfs/dbraw/zinc/97/88/71/1094978871.db2.gz RIZCQRLGUBYOHL-UHFFFAOYSA-N 1 0 311.429 3.321 50 0 DGAARO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCCC(=O)N(C)C ZINC000585094488 1094998638 /nfs/dbraw/zinc/99/86/38/1094998638.db2.gz QEAWESAPLVZRDG-LLVKDONJSA-N 1 0 322.840 3.078 50 0 DGAARO Cn1cc(C[N@H+](C)Cc2cc3nc(Cl)ccc3s2)cn1 ZINC000585117778 1095014497 /nfs/dbraw/zinc/01/44/97/1095014497.db2.gz WLRNVEQKXBOONM-UHFFFAOYSA-N 1 0 306.822 3.315 50 0 DGAARO COCC[N@@H+]1CCC[C@H](C[NH2+]CC2=C(C)CCCC2(C)C)C1 ZINC000952868094 1096781897 /nfs/dbraw/zinc/78/18/97/1096781897.db2.gz YGCKITVTFVUQBA-QGZVFWFLSA-N 1 0 308.510 3.461 50 0 DGAARO c1ccc2c(c1)[nH]c1c2CCN(C2CSCCSC2)C1 ZINC000952868663 1096782259 /nfs/dbraw/zinc/78/22/59/1096782259.db2.gz FYOCJPXSEKXSKK-UHFFFAOYSA-N 1 0 304.484 3.375 50 0 DGAARO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cc(Br)ccn1 ZINC000952877051 1096784537 /nfs/dbraw/zinc/78/45/37/1096784537.db2.gz LCZLKZMZOCCYSD-QMTHXVAHSA-N 1 0 313.239 3.046 50 0 DGAARO CC[C@H](C)Oc1ccc(NC(=O)NCc2cccnc2N)cc1 ZINC000952884178 1096787272 /nfs/dbraw/zinc/78/72/72/1096787272.db2.gz VGIXKIMZOSIFBI-LBPRGKRZSA-N 1 0 314.389 3.163 50 0 DGAARO Cc1ccc(-c2noc([C@H](C)[N@H+](C)C3CCCCC3)n2)nn1 ZINC000095509257 185376011 /nfs/dbraw/zinc/37/60/11/185376011.db2.gz FJPZDTWLSLEVGE-LBPRGKRZSA-N 1 0 301.394 3.161 50 0 DGAARO CCCc1cnc(C)nc1N1CCC([NH2+]Cc2ccoc2)CC1 ZINC000095530478 185378805 /nfs/dbraw/zinc/37/88/05/185378805.db2.gz XWQGDJNQVXUIIS-UHFFFAOYSA-N 1 0 314.433 3.089 50 0 DGAARO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000079309165 185164273 /nfs/dbraw/zinc/16/42/73/185164273.db2.gz NFZNMQUIPWBASU-MRXNPFEDSA-N 1 0 311.429 3.034 50 0 DGAARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(C)cc1OCC1CC1 ZINC000088745614 185263585 /nfs/dbraw/zinc/26/35/85/185263585.db2.gz ZJCQCHDYALOCOW-UHFFFAOYSA-N 1 0 313.445 3.424 50 0 DGAARO Cc1nc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)cs1 ZINC000088755383 185263927 /nfs/dbraw/zinc/26/39/27/185263927.db2.gz LBHIUPDKYUGQKB-NSHDSACASA-N 1 0 309.385 3.098 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](CC)C1 ZINC000089949063 185271022 /nfs/dbraw/zinc/27/10/22/185271022.db2.gz HACAQIDAPGULLZ-RHSMWYFYSA-N 1 0 313.445 3.295 50 0 DGAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000089949107 185271044 /nfs/dbraw/zinc/27/10/44/185271044.db2.gz ZNZOGGDDTDFERD-UKRRQHHQSA-N 1 0 323.506 3.177 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2csc(C3CC3)n2)[C@H](CC)C1 ZINC000089949161 185271135 /nfs/dbraw/zinc/27/11/35/185271135.db2.gz ZUJJUNHZHFKKHQ-IUODEOHRSA-N 1 0 321.490 3.147 50 0 DGAARO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000090401300 185294301 /nfs/dbraw/zinc/29/43/01/185294301.db2.gz PSZNKNJIHCCLST-KBXCAEBGSA-N 1 0 321.486 3.212 50 0 DGAARO CC[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CC[N@@H+]1C(C)C ZINC000082107724 192356842 /nfs/dbraw/zinc/35/68/42/192356842.db2.gz ROIJBKYBMIXRSD-QGZVFWFLSA-N 1 0 311.429 3.180 50 0 DGAARO CCSCCN(C(=O)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000063833365 432006367 /nfs/dbraw/zinc/00/63/67/432006367.db2.gz NCOBARHZVOEPEK-OAHLLOKOSA-N 1 0 312.523 3.291 50 0 DGAARO CC[C@H]1CN(C(=O)CCc2cccc(F)c2)CC[N@@H+]1C(C)C ZINC000082120995 192359312 /nfs/dbraw/zinc/35/93/12/192359312.db2.gz WIUYEPTWSGRAHK-KRWDZBQOSA-N 1 0 306.425 3.090 50 0 DGAARO Cc1sc(CC[NH2+]Cc2cnn(C)c2)nc1-c1ccccc1 ZINC000095413090 185358035 /nfs/dbraw/zinc/35/80/35/185358035.db2.gz JNKQFJVKMATEAM-UHFFFAOYSA-N 1 0 312.442 3.184 50 0 DGAARO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000095420311 185360024 /nfs/dbraw/zinc/36/00/24/185360024.db2.gz DKQVAJMIVFDCPA-SFHVURJKSA-N 1 0 311.404 3.467 50 0 DGAARO Cc1nn(C)c(C)c1CC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000095419708 185360101 /nfs/dbraw/zinc/36/01/01/185360101.db2.gz LGZFDBZYHMOCNY-GOSISDBHSA-N 1 0 300.450 3.351 50 0 DGAARO COc1cc2c(c(C[NH2+][C@@H]3CCCCC[C@@H]3CO)c1)O[C@@H](C)C2 ZINC000095410529 185357198 /nfs/dbraw/zinc/35/71/98/185357198.db2.gz OPPGHKUGMBFOAI-PMUMKWKESA-N 1 0 319.445 3.049 50 0 DGAARO C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000095427853 185362088 /nfs/dbraw/zinc/36/20/88/185362088.db2.gz JLHGIQTYOUNHNM-HUUCEWRRSA-N 1 0 316.351 3.426 50 0 DGAARO NC(=O)c1csc(C[NH2+][C@H](c2ccccn2)C2CCCC2)c1 ZINC000095427552 185362140 /nfs/dbraw/zinc/36/21/40/185362140.db2.gz FLOKENQTQYYJDO-INIZCTEOSA-N 1 0 315.442 3.263 50 0 DGAARO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000095421003 185360463 /nfs/dbraw/zinc/36/04/63/185360463.db2.gz YZXIISCNJBDBFX-VHSXEESVSA-N 1 0 302.340 3.059 50 0 DGAARO C[C@@H]([NH2+]CCOc1ccc2c(c1)CCC(=O)N2)c1ccsc1 ZINC000095420943 185360595 /nfs/dbraw/zinc/36/05/95/185360595.db2.gz ZKRDLZHWVHQSNO-GFCCVEGCSA-N 1 0 316.426 3.362 50 0 DGAARO C[C@@H]1CCC[C@H](C)N1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000095454495 185369686 /nfs/dbraw/zinc/36/96/86/185369686.db2.gz VBBKBZIOLKUXSJ-IYBDPMFKSA-N 1 0 307.482 3.320 50 0 DGAARO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cnn(CC)c1 ZINC000097014418 185397110 /nfs/dbraw/zinc/39/71/10/185397110.db2.gz OEGPUOCLBVGHHM-QGZVFWFLSA-N 1 0 313.449 3.139 50 0 DGAARO C[C@H](CCc1ccccc1F)[NH2+]C1CCC2(CC1)OCCO2 ZINC000097016552 185397442 /nfs/dbraw/zinc/39/74/42/185397442.db2.gz YFIXQVXULQIRSV-CQSZACIVSA-N 1 0 307.409 3.422 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)/C=C\c1cccs1)c1ccsc1 ZINC000097026859 185398931 /nfs/dbraw/zinc/39/89/31/185398931.db2.gz VUHOMPZIMQOEPG-GXMNPTEKSA-N 1 0 306.456 3.242 50 0 DGAARO C[C@@H](C[NH2+]Cc1ccc(Br)cc1)Oc1ccccn1 ZINC000095472044 185372623 /nfs/dbraw/zinc/37/26/23/185372623.db2.gz IGNAEEZEMCNXFV-LBPRGKRZSA-N 1 0 321.218 3.401 50 0 DGAARO CCCc1cnc(C)nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000065403461 432012352 /nfs/dbraw/zinc/01/23/52/432012352.db2.gz HXHOACWDPGIZHS-UHFFFAOYSA-N 1 0 310.445 3.060 50 0 DGAARO CC(C)c1nc(C(=O)NCc2ccccc2C[NH+](C)C)cs1 ZINC000170665088 197804372 /nfs/dbraw/zinc/80/43/72/197804372.db2.gz FYLIGIKOXBCWTK-UHFFFAOYSA-N 1 0 317.458 3.258 50 0 DGAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C/C=C\c3ccccc3)C2)n1 ZINC000104065815 432014149 /nfs/dbraw/zinc/01/41/49/432014149.db2.gz UXTXXKRZRVDOOT-FUKWUPMWSA-N 1 0 310.445 3.320 50 0 DGAARO CCCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CCCO3)c2C1 ZINC000066513395 432016823 /nfs/dbraw/zinc/01/68/23/432016823.db2.gz BYUDWDNMGIPSPB-OAHLLOKOSA-N 1 0 302.418 3.310 50 0 DGAARO C[C@H](CNC(=O)c1cc2ccccc2o1)[N@@H+]1CCCC[C@@H]1C ZINC000106525745 432021520 /nfs/dbraw/zinc/02/15/20/432021520.db2.gz ZUGQEPOSIZPEGS-UONOGXRCSA-N 1 0 300.402 3.426 50 0 DGAARO CC[C@H](C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)[NH+]1CCCC1 ZINC000071767495 191028569 /nfs/dbraw/zinc/02/85/69/191028569.db2.gz GZMYCJLYFXJGNI-GOSISDBHSA-N 1 0 313.445 3.275 50 0 DGAARO CC(C)[C@H]1C[N@H+](CCCC(F)(F)F)CCC(=O)N1CC1CC1 ZINC000071767603 191029305 /nfs/dbraw/zinc/02/93/05/191029305.db2.gz NWBJJCCTIXEMCU-CQSZACIVSA-N 1 0 320.399 3.298 50 0 DGAARO CCn1cc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072151607 191055389 /nfs/dbraw/zinc/05/53/89/191055389.db2.gz GUAVWIPSCYROOW-HNNXBMFYSA-N 1 0 323.444 3.234 50 0 DGAARO Cc1nc(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCCCC2)cs1 ZINC000072161252 191062009 /nfs/dbraw/zinc/06/20/09/191062009.db2.gz BXBXWSWAYMQAIV-CABCVRRESA-N 1 0 321.490 3.415 50 0 DGAARO Cc1ccccc1C[NH+]1CCN(C[C@H](C)C(F)(F)F)CC1 ZINC000072170096 191067986 /nfs/dbraw/zinc/06/79/86/191067986.db2.gz XHZXJVXUBXCOCK-AWEZNQCLSA-N 1 0 300.368 3.311 50 0 DGAARO Fc1ccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)cc1F ZINC000072242446 191086221 /nfs/dbraw/zinc/08/62/21/191086221.db2.gz GYDGPNFRUFLWSM-KRWDZBQOSA-N 1 0 314.339 3.087 50 0 DGAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccccc1 ZINC000225576267 186279780 /nfs/dbraw/zinc/27/97/80/186279780.db2.gz JJFLAGGVKOQTJZ-MRXNPFEDSA-N 1 0 319.474 3.026 50 0 DGAARO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000225614425 186283489 /nfs/dbraw/zinc/28/34/89/186283489.db2.gz YGUXNEWCRDTPRA-CYBMUJFWSA-N 1 0 300.397 3.334 50 0 DGAARO CC(C)(C)c1ccc(CC[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000225639352 186286326 /nfs/dbraw/zinc/28/63/26/186286326.db2.gz KQUZVJKIRSJOGA-INIZCTEOSA-N 1 0 302.462 3.114 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000237443888 186289756 /nfs/dbraw/zinc/28/97/56/186289756.db2.gz KIRVNTZQTGCRDV-LPHOPBHVSA-N 1 0 322.452 3.477 50 0 DGAARO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)sc2cccc(F)c12 ZINC000262914391 186324462 /nfs/dbraw/zinc/32/44/62/186324462.db2.gz YTXUMHDPBHNKQD-BXKDBHETSA-N 1 0 306.406 3.077 50 0 DGAARO CC(C)(O)CCc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000072429951 191162880 /nfs/dbraw/zinc/16/28/80/191162880.db2.gz CVVFVEGRMBRKDR-IBGZPJMESA-N 1 0 316.489 3.060 50 0 DGAARO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072431672 191164943 /nfs/dbraw/zinc/16/49/43/191164943.db2.gz AEXWPFOOAVKKHX-IBGZPJMESA-N 1 0 315.461 3.086 50 0 DGAARO c1ccc(C[N@@H+]2CCC[C@H](Nc3cnc4ccccc4n3)C2)nc1 ZINC000072475393 191177324 /nfs/dbraw/zinc/17/73/24/191177324.db2.gz YKTRKBSMCUJOPQ-INIZCTEOSA-N 1 0 319.412 3.101 50 0 DGAARO C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000174032827 198283296 /nfs/dbraw/zinc/28/32/96/198283296.db2.gz YCTBKYLPZKYLAB-AWEZNQCLSA-N 1 0 319.449 3.379 50 0 DGAARO COc1ccc2[nH]c(C[NH2+][C@@H](C)Cn3nc(C)cc3C)cc2c1 ZINC000067589104 432032795 /nfs/dbraw/zinc/03/27/95/432032795.db2.gz LPKULKSADUNCLV-ZDUSSCGKSA-N 1 0 312.417 3.168 50 0 DGAARO C[N@H+]1CC=C(C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000067561244 432033172 /nfs/dbraw/zinc/03/31/72/432033172.db2.gz KLVKYCVUDUGRJC-BQYQJAHWSA-N 1 0 310.441 3.200 50 0 DGAARO C[NH+]1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000067603694 432033554 /nfs/dbraw/zinc/03/35/54/432033554.db2.gz QPNLUKPNSAFJEA-UHFFFAOYSA-N 1 0 312.866 3.033 50 0 DGAARO C[NH+](C)CCCCOc1ccccc1I ZINC000002825099 180961834 /nfs/dbraw/zinc/96/18/34/180961834.db2.gz BAYCXKAZYMCHSZ-UHFFFAOYSA-N 1 0 319.186 3.012 50 0 DGAARO O=C(CC1CC1)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000067675368 432034486 /nfs/dbraw/zinc/03/44/86/432034486.db2.gz XHESXCVRVCBLPX-AWEZNQCLSA-N 1 0 324.827 3.217 50 0 DGAARO CCCOc1ccc(CNCCC[NH+](CC)CC)cc1OC ZINC000002933145 180971022 /nfs/dbraw/zinc/97/10/22/180971022.db2.gz LXJPGCRDZGDBQS-UHFFFAOYSA-N 1 0 308.466 3.306 50 0 DGAARO Cc1cccc(-c2ncc(CN3CC[C@@]4(C3)CCC[NH2+]C4)cn2)c1 ZINC000067677648 432034358 /nfs/dbraw/zinc/03/43/58/432034358.db2.gz FXQINIMHNMGWIP-FQEVSTJZSA-N 1 0 322.456 3.028 50 0 DGAARO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000107578466 432034721 /nfs/dbraw/zinc/03/47/21/432034721.db2.gz XLWASFMLSARGGW-JKSUJKDBSA-N 1 0 305.466 3.428 50 0 DGAARO CC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000067677180 432034840 /nfs/dbraw/zinc/03/48/40/432034840.db2.gz YSJOABJQPIKCJS-OAHLLOKOSA-N 1 0 317.433 3.131 50 0 DGAARO C[N@H+](Cc1cnc(-c2ccco2)nc1)C1Cc2ccccc2C1 ZINC000067695211 432035551 /nfs/dbraw/zinc/03/55/51/432035551.db2.gz FMDHXFLBRWZRSR-UHFFFAOYSA-N 1 0 305.381 3.336 50 0 DGAARO COCCC[NH2+]CCCOc1ccc(Br)cc1C ZINC000003461561 181023683 /nfs/dbraw/zinc/02/36/83/181023683.db2.gz CRYBGFKBJGSAHX-UHFFFAOYSA-N 1 0 316.239 3.153 50 0 DGAARO 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C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000007406535 181462743 /nfs/dbraw/zinc/46/27/43/181462743.db2.gz FZULMPAQEVUSES-UHFFFAOYSA-N 1 0 317.260 3.240 50 0 DGAARO CC(C)[N@H+](CCc1nccs1)Cc1cccc2c[nH]nc21 ZINC000093764182 193300902 /nfs/dbraw/zinc/30/09/02/193300902.db2.gz UZXBIICLRVUUEX-UHFFFAOYSA-N 1 0 300.431 3.473 50 0 DGAARO c1cc(-c2cccnc2)oc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000093865781 193321397 /nfs/dbraw/zinc/32/13/97/193321397.db2.gz OMTIXHVIJSZSAD-SFHVURJKSA-N 1 0 321.380 3.390 50 0 DGAARO CCC[NH+]1CCC(CC(=O)N[C@H](CC)c2ccc(O)cc2)CC1 ZINC000095364084 193432604 /nfs/dbraw/zinc/43/26/04/193432604.db2.gz NGIBVFQDPJVXMY-GOSISDBHSA-N 1 0 318.461 3.472 50 0 DGAARO Cc1ccc(=O)n([C@H](CC[NH+]2CCCCC2)c2ccccc2)n1 ZINC000095918194 193449618 /nfs/dbraw/zinc/44/96/18/193449618.db2.gz UIRMDJNXHVAQEB-GOSISDBHSA-N 1 0 311.429 3.017 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)[C@H]1CCOC1 ZINC000095961932 193460767 /nfs/dbraw/zinc/46/07/67/193460767.db2.gz PMYVMJIWPJCPOW-KOLCDFICSA-N 1 0 302.187 3.103 50 0 DGAARO CCc1ocnc1C(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011753920 181703736 /nfs/dbraw/zinc/70/37/36/181703736.db2.gz AJCJESWZLUOJIY-AWEZNQCLSA-N 1 0 319.449 3.154 50 0 DGAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000015549947 182006042 /nfs/dbraw/zinc/00/60/42/182006042.db2.gz SOILOFKVPKDXSH-LJQANCHMSA-N 1 0 307.397 3.181 50 0 DGAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000015855942 182021670 /nfs/dbraw/zinc/02/16/70/182021670.db2.gz DMRFRMSDTQCOPS-UHFFFAOYSA-N 1 0 315.461 3.133 50 0 DGAARO CCc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000016580548 182050685 /nfs/dbraw/zinc/05/06/85/182050685.db2.gz LFWDTRJUFWSTGR-UHFFFAOYSA-N 1 0 306.475 3.401 50 0 DGAARO Cc1cccc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)c1 ZINC000016607012 182053346 /nfs/dbraw/zinc/05/33/46/182053346.db2.gz UWDCUPOVYDFCSI-UHFFFAOYSA-N 1 0 300.446 3.266 50 0 DGAARO COc1ccccc1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019359813 182118739 /nfs/dbraw/zinc/11/87/39/182118739.db2.gz LGRRBSQZIIRKFT-KRWDZBQOSA-N 1 0 300.446 3.169 50 0 DGAARO CN1CC[NH+](CCCOc2ccccc2-c2ccccc2)CC1 ZINC000019369473 182120268 /nfs/dbraw/zinc/12/02/68/182120268.db2.gz QMKIFIDETGWESG-UHFFFAOYSA-N 1 0 310.441 3.370 50 0 DGAARO COc1ccc(C[NH2+]CCc2cccc(F)c2)c(OC)c1C ZINC000019720846 182138135 /nfs/dbraw/zinc/13/81/35/182138135.db2.gz QGIKUXBFDRWKLZ-UHFFFAOYSA-N 1 0 303.377 3.484 50 0 DGAARO CCc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019785104 182148285 /nfs/dbraw/zinc/14/82/85/182148285.db2.gz WWXKIFRAIVIEIY-HXUWFJFHSA-N 1 0 310.441 3.105 50 0 DGAARO COc1cccc(C[NH2+]C[C@@]2(c3cccc(F)c3)CCOC2)c1 ZINC000019791333 182149459 /nfs/dbraw/zinc/14/94/59/182149459.db2.gz LIYWPAYYXHZRCE-IBGZPJMESA-N 1 0 315.388 3.282 50 0 DGAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100502 182187024 /nfs/dbraw/zinc/18/70/24/182187024.db2.gz WCQZQVBDXWNAHL-UHFFFAOYSA-N 1 0 318.436 3.487 50 0 DGAARO COCCC1CC[NH+](C[C@@H](C)n2cnc3ccccc32)CC1 ZINC000020149613 182192517 /nfs/dbraw/zinc/19/25/17/182192517.db2.gz ABODVZSZJPZCMW-OAHLLOKOSA-N 1 0 301.434 3.346 50 0 DGAARO FC(F)(F)c1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000020653069 182242002 /nfs/dbraw/zinc/24/20/02/182242002.db2.gz VPLFIDOTCACTSZ-UHFFFAOYSA-N 1 0 303.324 3.197 50 0 DGAARO CC[C@H](C)Oc1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000020652954 182242409 /nfs/dbraw/zinc/24/24/09/182242409.db2.gz LLKUXIZTJYKJBX-INIZCTEOSA-N 1 0 307.434 3.355 50 0 DGAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CCO ZINC000020781871 182246766 /nfs/dbraw/zinc/24/67/66/182246766.db2.gz ZHJATBXGHXAPRB-SFHVURJKSA-N 1 0 324.896 3.255 50 0 DGAARO c1cc([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000020859279 182250176 /nfs/dbraw/zinc/25/01/76/182250176.db2.gz WCAYOUJHZMMTKE-HNNXBMFYSA-N 1 0 307.401 3.179 50 0 DGAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccccc1F ZINC000021175375 182268467 /nfs/dbraw/zinc/26/84/67/182268467.db2.gz GKTSIKBOLBTDOP-ZDUSSCGKSA-N 1 0 305.397 3.212 50 0 DGAARO c1ccc(-c2noc(NCC[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000021629805 182281208 /nfs/dbraw/zinc/28/12/08/182281208.db2.gz KWLHONXERMAZPU-UHFFFAOYSA-N 1 0 320.396 3.207 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000021869645 182295723 /nfs/dbraw/zinc/29/57/23/182295723.db2.gz ROFGNFCRKGSAIU-KRWDZBQOSA-N 1 0 316.832 3.302 50 0 DGAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000022014198 182303979 /nfs/dbraw/zinc/30/39/79/182303979.db2.gz QRRFZVBJAMOJFL-LJQANCHMSA-N 1 0 308.425 3.406 50 0 DGAARO COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)[NH2+]CC2 ZINC000022405262 182320809 /nfs/dbraw/zinc/32/08/09/182320809.db2.gz OWLXVRYRDSZRJB-INIZCTEOSA-N 1 0 317.360 3.109 50 0 DGAARO COc1ccccc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000022766897 182334215 /nfs/dbraw/zinc/33/42/15/182334215.db2.gz UGFKVCWMVSSEPP-CQSZACIVSA-N 1 0 319.430 3.181 50 0 DGAARO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccnc1 ZINC000022792729 182335039 /nfs/dbraw/zinc/33/50/39/182335039.db2.gz BBKMLEHXXPKAOY-LLVKDONJSA-N 1 0 304.777 3.357 50 0 DGAARO Cc1c(O)ccc2c(C[N@@H+]3CCc4ccccc4C3)cc(=O)oc12 ZINC000023748660 182368082 /nfs/dbraw/zinc/36/80/82/182368082.db2.gz CMPPLLWYMDLRBX-UHFFFAOYSA-N 1 0 321.376 3.365 50 0 DGAARO COc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000024367051 182379333 /nfs/dbraw/zinc/37/93/33/182379333.db2.gz VYUNEKYDCFUZCN-CYBMUJFWSA-N 1 0 319.430 3.181 50 0 DGAARO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)no1 ZINC000024673706 182387204 /nfs/dbraw/zinc/38/72/04/182387204.db2.gz DJHICZMZNHNSBQ-CQSZACIVSA-N 1 0 313.401 3.222 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H](C)c3ccccc3)nc12 ZINC000024685590 182387857 /nfs/dbraw/zinc/38/78/57/182387857.db2.gz WFCXWSLILGBDCQ-HNNXBMFYSA-N 1 0 307.397 3.196 50 0 DGAARO Cc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000024987156 182397554 /nfs/dbraw/zinc/39/75/54/182397554.db2.gz RZVUSHGMHFYZSA-HNNXBMFYSA-N 1 0 302.443 3.018 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036102253 182802148 /nfs/dbraw/zinc/80/21/48/182802148.db2.gz RJQNXULNKICSRK-AEFFLSMTSA-N 1 0 323.477 3.329 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)CCCc1ccccc1)c1ccsc1 ZINC000038673270 183006370 /nfs/dbraw/zinc/00/63/70/183006370.db2.gz CLFKSIZKBRZGFJ-KRWDZBQOSA-N 1 0 316.470 3.490 50 0 DGAARO O=C(CCc1ccccc1Cl)NCCC[NH+]1CCCCC1 ZINC000039985002 183026411 /nfs/dbraw/zinc/02/64/11/183026411.db2.gz ZJIOMCUAHPYJGM-UHFFFAOYSA-N 1 0 308.853 3.265 50 0 DGAARO COc1cccc([C@@H](CNc2ncnc3ccccc32)[NH+](C)C)c1 ZINC000040004974 183027139 /nfs/dbraw/zinc/02/71/39/183027139.db2.gz FPOMPLTUTMIDKX-GOSISDBHSA-N 1 0 322.412 3.353 50 0 DGAARO COc1cccc([C@H](CNc2ncnc3ccccc32)[NH+](C)C)c1 ZINC000040004973 183027221 /nfs/dbraw/zinc/02/72/21/183027221.db2.gz FPOMPLTUTMIDKX-SFHVURJKSA-N 1 0 322.412 3.353 50 0 DGAARO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1F ZINC000040009449 183027585 /nfs/dbraw/zinc/02/75/85/183027585.db2.gz YNLDZALTIXKTLV-GFCCVEGCSA-N 1 0 317.360 3.456 50 0 DGAARO CCOc1c(C[NH2+]CCCn2ccnc2)cc(Cl)cc1OC ZINC000039279949 183015874 /nfs/dbraw/zinc/01/58/74/183015874.db2.gz ABRKVHJJWZVUEF-UHFFFAOYSA-N 1 0 323.824 3.124 50 0 DGAARO CC(C)CC[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000040121946 183038557 /nfs/dbraw/zinc/03/85/57/183038557.db2.gz WIMXUTQXZZXDSE-UHFFFAOYSA-N 1 0 302.462 3.200 50 0 DGAARO CCC(CC)(CNC(=O)C1(c2ccc(F)cc2)CCC1)[NH+](C)C ZINC000042771822 183306878 /nfs/dbraw/zinc/30/68/78/183306878.db2.gz ZWRPJAGUGVCRNY-UHFFFAOYSA-N 1 0 320.452 3.484 50 0 DGAARO O=C(OCc1ccccc1)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042773696 183307105 /nfs/dbraw/zinc/30/71/05/183307105.db2.gz SUUGIYQSDRVLQW-INIZCTEOSA-N 1 0 311.381 3.032 50 0 DGAARO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc2c(c1)OCO2 ZINC000042791109 183309244 /nfs/dbraw/zinc/30/92/44/183309244.db2.gz PIXHTMUQHWBTGN-LBPRGKRZSA-N 1 0 313.353 3.037 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccn1 ZINC000043136983 183340707 /nfs/dbraw/zinc/34/07/07/183340707.db2.gz UQCAWLRWJPQMAB-CQSZACIVSA-N 1 0 314.389 3.023 50 0 DGAARO CC(C)[N@@H+]1CCN(Cc2cccc3ccccc32)C[C@H]1CCO ZINC000104335609 194000104 /nfs/dbraw/zinc/00/01/04/194000104.db2.gz NSMFVORCRHTDAV-LJQANCHMSA-N 1 0 312.457 3.117 50 0 DGAARO O=C1CC[C@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CN1 ZINC000095968069 284810518 /nfs/dbraw/zinc/81/05/18/284810518.db2.gz IIFKTVBSKKYWEM-WCQYABFASA-N 1 0 310.850 3.135 50 0 DGAARO CC1CC[NH+](CCCNC(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000053561825 183906290 /nfs/dbraw/zinc/90/62/90/183906290.db2.gz KZLSVOXVUUOXPU-SFHVURJKSA-N 1 0 315.461 3.095 50 0 DGAARO COc1cc(C[NH2+][C@H](C)c2sc(C)nc2C)cc2c1OCO2 ZINC000055173254 183968682 /nfs/dbraw/zinc/96/86/82/183968682.db2.gz OAXRBSXHCHAEOG-SECBINFHSA-N 1 0 320.414 3.348 50 0 DGAARO CC[NH+]1CCC(N(C(=O)c2cc3ccccc3[nH]2)C2CC2)CC1 ZINC000057371058 184036466 /nfs/dbraw/zinc/03/64/66/184036466.db2.gz IZLMAOQBDBWMLL-UHFFFAOYSA-N 1 0 311.429 3.257 50 0 DGAARO CC(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000058051264 184071218 /nfs/dbraw/zinc/07/12/18/184071218.db2.gz VRFZBJIQPMQNMG-KBPBESRZSA-N 1 0 317.433 3.274 50 0 DGAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2sccc21 ZINC000058173603 184084264 /nfs/dbraw/zinc/08/42/64/184084264.db2.gz WGOXKOHSIWMOAW-JHJVBQTASA-N 1 0 304.463 3.470 50 0 DGAARO CC[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000058174377 184084310 /nfs/dbraw/zinc/08/43/10/184084310.db2.gz ZOGVRYKLJHDPNM-UHFFFAOYSA-N 1 0 304.312 3.254 50 0 DGAARO C[C@H](NC[C@H](c1cccs1)[NH+](C)C)c1nc(C(C)(C)C)no1 ZINC000058177853 184084842 /nfs/dbraw/zinc/08/48/42/184084842.db2.gz ZIHBTYHLFJUPRP-NWDGAFQWSA-N 1 0 322.478 3.382 50 0 DGAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)SCc2ccccc2)C1 ZINC000058201860 184087258 /nfs/dbraw/zinc/08/72/58/184087258.db2.gz DNZVXGONVCXJPT-NVXWUHKLSA-N 1 0 320.502 3.155 50 0 DGAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccc(C)c(C)c2)cn1 ZINC000058216392 184089276 /nfs/dbraw/zinc/08/92/76/184089276.db2.gz CQVNCYCAIRVZSH-UHFFFAOYSA-N 1 0 314.433 3.094 50 0 DGAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1OC ZINC000058232400 184092552 /nfs/dbraw/zinc/09/25/52/184092552.db2.gz RBZYYLDVCDOYDG-OAHLLOKOSA-N 1 0 321.804 3.180 50 0 DGAARO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000058146381 184081047 /nfs/dbraw/zinc/08/10/47/184081047.db2.gz HXGMSNLJKIOPPP-CYBMUJFWSA-N 1 0 316.376 3.432 50 0 DGAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC=CCC1 ZINC000058344339 184107268 /nfs/dbraw/zinc/10/72/68/184107268.db2.gz MQQULNOOCKMKIU-MRXNPFEDSA-N 1 0 318.486 3.433 50 0 DGAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccccc2Cl)cn1 ZINC000058283106 184099712 /nfs/dbraw/zinc/09/97/12/184099712.db2.gz KAWYGVGFSVNQRI-UHFFFAOYSA-N 1 0 320.824 3.131 50 0 DGAARO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)c1 ZINC000058332154 184106944 /nfs/dbraw/zinc/10/69/44/184106944.db2.gz ZSDPQGCGOFONIW-STQMWFEESA-N 1 0 317.389 3.060 50 0 DGAARO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058407577 184114252 /nfs/dbraw/zinc/11/42/52/184114252.db2.gz ABMMCQLGOQLSGR-UHFFFAOYSA-N 1 0 318.436 3.487 50 0 DGAARO CCN(C(=O)c1ccncc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060127900 184144520 /nfs/dbraw/zinc/14/45/20/184144520.db2.gz KOEHSYLEWCJSAR-LPHOPBHVSA-N 1 0 323.440 3.379 50 0 DGAARO C[NH+](C)CC(C)(C)CNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000060624743 184153372 /nfs/dbraw/zinc/15/33/72/184153372.db2.gz RTNXRXOXQUMJAK-UHFFFAOYSA-N 1 0 308.853 3.076 50 0 DGAARO c1ccc(CC[NH+]2CCN(c3nc4ccccc4s3)CC2)nc1 ZINC000060847011 184156070 /nfs/dbraw/zinc/15/60/70/184156070.db2.gz RMZTYDGNWVHECM-UHFFFAOYSA-N 1 0 324.453 3.056 50 0 DGAARO C[C@@H]1C[C@H]1[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000269058834 207208617 /nfs/dbraw/zinc/20/86/17/207208617.db2.gz IIWOWZKZJSOWHK-HFBAOOFYSA-N 1 0 306.837 3.153 50 0 DGAARO CCSCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062229899 184223979 /nfs/dbraw/zinc/22/39/79/184223979.db2.gz RDHMRSQCOVQHPW-KRWDZBQOSA-N 1 0 320.502 3.158 50 0 DGAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000064590765 184301263 /nfs/dbraw/zinc/30/12/63/184301263.db2.gz KSUXUCICQDYZFV-UHFFFAOYSA-N 1 0 307.397 3.107 50 0 DGAARO CC[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000065387622 184333868 /nfs/dbraw/zinc/33/38/68/184333868.db2.gz RQVMFIHAQZRGLX-SFHVURJKSA-N 1 0 300.446 3.272 50 0 DGAARO C[NH+]1CCC(NC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000065363895 184329033 /nfs/dbraw/zinc/32/90/33/184329033.db2.gz HVYPXXXGQIQVGQ-UHFFFAOYSA-N 1 0 302.462 3.127 50 0 DGAARO COC(C)(C)C[C@H](C)[NH2+]C1CCN(Cc2cccc(O)c2)CC1 ZINC000065418903 184341124 /nfs/dbraw/zinc/34/11/24/184341124.db2.gz GYSWBSQGTAWIEB-HNNXBMFYSA-N 1 0 320.477 3.150 50 0 DGAARO Cc1c2ccc(C)cc2oc1C(=O)NCC[C@H]1CCC[N@H+]1C ZINC000065418894 184341275 /nfs/dbraw/zinc/34/12/75/184341275.db2.gz CTBWAVSLWYGMOU-CQSZACIVSA-N 1 0 300.402 3.264 50 0 DGAARO CCn1nc(C)c(C[NH2+][C@H]2CCc3ccc(OC)cc3C2)c1C ZINC000065461649 184349105 /nfs/dbraw/zinc/34/91/05/184349105.db2.gz AYPBVRUZVZTASV-KRWDZBQOSA-N 1 0 313.445 3.176 50 0 DGAARO c1ccc(NC[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)nc1 ZINC000065467215 184350302 /nfs/dbraw/zinc/35/03/02/184350302.db2.gz ATYDNINEHFWTFB-CQSZACIVSA-N 1 0 308.385 3.157 50 0 DGAARO CCC[NH+]1CCC(CC(=O)N2CCn3cccc3[C@@H]2CC)CC1 ZINC000065469966 184350822 /nfs/dbraw/zinc/35/08/22/184350822.db2.gz MGXYFQZWLLHVCH-KRWDZBQOSA-N 1 0 317.477 3.294 50 0 DGAARO C/C(=C\c1ccco1)C[N@H+](C)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065396443 184335269 /nfs/dbraw/zinc/33/52/69/184335269.db2.gz AATDZIYOLFYAGK-AAGJOFLKSA-N 1 0 316.445 3.406 50 0 DGAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccc2c1OCO2 ZINC000065527905 184360024 /nfs/dbraw/zinc/36/00/24/184360024.db2.gz VSMKDHOLRDGDJG-UHFFFAOYSA-N 1 0 321.380 3.233 50 0 DGAARO CCSCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065591281 184369876 /nfs/dbraw/zinc/36/98/76/184369876.db2.gz RDHMRSQCOVQHPW-QGZVFWFLSA-N 1 0 320.502 3.158 50 0 DGAARO CC(C)C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065625601 184375496 /nfs/dbraw/zinc/37/54/96/184375496.db2.gz FPCZEERIIPDADB-MSOLQXFVSA-N 1 0 300.446 3.298 50 0 DGAARO O=C1N(c2cccc(F)c2)[C@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000169676538 296353724 /nfs/dbraw/zinc/35/37/24/296353724.db2.gz WBCSUVXKYCOJHN-QGZVFWFLSA-N 1 0 310.372 3.283 50 0 DGAARO C[C@@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000072713919 256546040 /nfs/dbraw/zinc/54/60/40/256546040.db2.gz ZBBDFMGANJJKFV-CYBMUJFWSA-N 1 0 313.426 3.071 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(/C)c2cccc(Cl)c2)C1 ZINC000237307376 256600350 /nfs/dbraw/zinc/60/03/50/256600350.db2.gz XTZFDHSACVVAMO-RNQWEJQRSA-N 1 0 306.837 3.201 50 0 DGAARO C[C@H]1C[C@@H](N(C)Cc2cnns2)CC[N@@H+]1Cc1ccccc1 ZINC000289951484 221338189 /nfs/dbraw/zinc/33/81/89/221338189.db2.gz HYJXAMNXWZTSAS-HOCLYGCPSA-N 1 0 316.474 3.023 50 0 DGAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000317314249 257237365 /nfs/dbraw/zinc/23/73/65/257237365.db2.gz YSBFECSSSMMMMD-CXAGYDPISA-N 1 0 302.418 3.397 50 0 DGAARO Cc1csc(-c2cccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)c2)n1 ZINC000237425633 257238886 /nfs/dbraw/zinc/23/88/86/257238886.db2.gz XUADCVYPGGTDNS-IUODEOHRSA-N 1 0 315.442 3.070 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000237387804 257238958 /nfs/dbraw/zinc/23/89/58/257238958.db2.gz IYZBWWDGZNZMOA-RHSMWYFYSA-N 1 0 302.462 3.255 50 0 DGAARO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ccc(Cl)cn1 ZINC000239882134 257259756 /nfs/dbraw/zinc/25/97/56/257259756.db2.gz DAMMBFGWLWZLTM-VHDGCEQUSA-N 1 0 309.841 3.036 50 0 DGAARO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1nc2ccccc2s1 ZINC000058306653 257270121 /nfs/dbraw/zinc/27/01/21/257270121.db2.gz BMUBHZYZHWAUHR-LLVKDONJSA-N 1 0 306.435 3.148 50 0 DGAARO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(C)n1 ZINC000071830797 184859929 /nfs/dbraw/zinc/85/99/29/184859929.db2.gz WZSBNVDKAXHGAG-ZOBUZTSGSA-N 1 0 315.461 3.176 50 0 DGAARO Cc1[nH]c2ccccc2c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000002490706 134449741 /nfs/dbraw/zinc/44/97/41/134449741.db2.gz ZAXKSLQZANTESC-UHFFFAOYSA-N 1 0 306.413 3.194 50 0 in-vitro DGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000005600325 400088993 /nfs/dbraw/zinc/08/89/93/400088993.db2.gz FICKTBOMIPGRMD-ABFRBSLYSA-N 1 0 314.429 3.041 50 0 DGAARO COC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000091057500 400090906 /nfs/dbraw/zinc/09/09/06/400090906.db2.gz ZQWGZJUVHSOMAT-GFCCVEGCSA-N 1 0 310.825 3.091 50 0 DGAARO CC(C)[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000091280641 400110966 /nfs/dbraw/zinc/11/09/66/400110966.db2.gz UDWBKVRRRCNTON-IUODEOHRSA-N 1 0 315.866 3.061 50 0 DGAARO Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COc3ccccc3O1)CCC2 ZINC000323075803 400176678 /nfs/dbraw/zinc/17/66/78/400176678.db2.gz XPQWPIYCNQHZBM-WBVHZDCISA-N 1 0 311.381 3.199 50 0 DGAARO Cc1cc(F)ccc1N1CCC([N@H+](C)C[C@H]2CCOC2)CC1 ZINC000584887818 400121132 /nfs/dbraw/zinc/12/11/32/400121132.db2.gz DJZUPPSISICBNO-OAHLLOKOSA-N 1 0 306.425 3.071 50 0 DGAARO COCC1(C(=O)NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC000584899396 400123442 /nfs/dbraw/zinc/12/34/42/400123442.db2.gz VRZZWHZZPKFKSS-KRWDZBQOSA-N 1 0 322.493 3.107 50 0 DGAARO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000096027115 400274312 /nfs/dbraw/zinc/27/43/12/400274312.db2.gz JKTYSVSOUOJAQP-VQIMIIECSA-N 1 0 308.425 3.356 50 0 DGAARO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000096027116 400274596 /nfs/dbraw/zinc/27/45/96/400274596.db2.gz JKTYSVSOUOJAQP-QFBILLFUSA-N 1 0 308.425 3.356 50 0 DGAARO CC1(C)C[C@@H]([NH2+]Cc2csc([C@@H]3CCCO3)n2)C(C)(C)O1 ZINC000097103339 400282786 /nfs/dbraw/zinc/28/27/86/400282786.db2.gz WTRHASNVJYVSTF-QWHCGFSZSA-N 1 0 310.463 3.430 50 0 DGAARO CC(=O)NC1CCC([NH2+][C@H]2CCCC[C@H]2OC2CCCC2)CC1 ZINC000097102540 400283615 /nfs/dbraw/zinc/28/36/15/400283615.db2.gz QUEHNMUSUUTRNC-YVZJPGBNSA-N 1 0 322.493 3.294 50 0 DGAARO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c(C)n1C1CC1 ZINC000072234486 400376014 /nfs/dbraw/zinc/37/60/14/400376014.db2.gz VVSLNTGGXIAZKE-MSOLQXFVSA-N 1 0 315.461 3.139 50 0 DGAARO CC[NH+](CC)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000073101706 400431417 /nfs/dbraw/zinc/43/14/17/400431417.db2.gz DEAAQYFUUURVHN-UHFFFAOYSA-N 1 0 304.463 3.384 50 0 DGAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1F ZINC000076056509 400629845 /nfs/dbraw/zinc/62/98/45/400629845.db2.gz QOYHDRJWOWDHNZ-DCGLDWPTSA-N 1 0 304.409 3.123 50 0 DGAARO CCCCCC(=O)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000075415395 400584102 /nfs/dbraw/zinc/58/41/02/400584102.db2.gz PKVHBOSZGDHHKH-UHFFFAOYSA-N 1 0 318.461 3.205 50 0 DGAARO COc1ccc(-c2c(C)n(O)cc(-c3ccccc3)[n+]2=O)cc1 ZINC000136169913 400590697 /nfs/dbraw/zinc/59/06/97/400590697.db2.gz ZMLXXUYLWQLILB-UHFFFAOYSA-N 1 0 309.345 3.291 50 0 DGAARO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCCC[C@H]2C)o1 ZINC000162408897 400745263 /nfs/dbraw/zinc/74/52/63/400745263.db2.gz CRWYEIAFULYWPF-TZMCWYRMSA-N 1 0 301.390 3.414 50 0 DGAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000168220860 400756441 /nfs/dbraw/zinc/75/64/41/400756441.db2.gz ZNIQNNRUJOYQLZ-QWHCGFSZSA-N 1 0 307.438 3.123 50 0 DGAARO C[N@H+](CCC1OCCO1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000170597026 400764096 /nfs/dbraw/zinc/76/40/96/400764096.db2.gz LOIQFOVSUYGFDM-GOSISDBHSA-N 1 0 316.376 3.005 50 0 DGAARO Cc1c([C@@H]2CCCN2Cc2ccc(Br)o2)cnn1C ZINC000170611882 400766557 /nfs/dbraw/zinc/76/65/57/400766557.db2.gz LWEOVQNVIQDVKR-ZDUSSCGKSA-N 1 0 324.222 3.421 50 0 DGAARO Cc1cc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)c(C)o1 ZINC000183808061 400902323 /nfs/dbraw/zinc/90/23/23/400902323.db2.gz ULELMASOQHJNJL-VXGBXAGGSA-N 1 0 306.431 3.486 50 0 DGAARO Cc1cscc1C(=O)Nc1cccc2c1CN([C@H](C)CO)C2 ZINC000195560346 400925021 /nfs/dbraw/zinc/92/50/21/400925021.db2.gz ZOJJMSKVBSWEEI-GFCCVEGCSA-N 1 0 316.426 3.005 50 0 DGAARO Cc1ccc2c(c1)[C@@H]([NH2+]CCc1nnc3ccccn31)[C@@H](C)C2 ZINC000195553427 400925822 /nfs/dbraw/zinc/92/58/22/400925822.db2.gz SQDCJONJRDZIAB-LIRRHRJNSA-N 1 0 306.413 3.103 50 0 DGAARO O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000225611245 400958568 /nfs/dbraw/zinc/95/85/68/400958568.db2.gz NXYCQKFOIDHFKC-GFCCVEGCSA-N 1 0 312.866 3.282 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000248109622 401064850 /nfs/dbraw/zinc/06/48/50/401064850.db2.gz GUTYJSHOGDKGEM-XDNAFOTISA-N 1 0 316.420 3.014 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC000248162472 401067616 /nfs/dbraw/zinc/06/76/16/401067616.db2.gz YHKWPELUJJITLL-LSDHHAIUSA-N 1 0 304.459 3.324 50 0 DGAARO CN(C)C(=O)c1cncc(-c2ccc3c(c2)CCCC[C@@H]3[NH3+])c1 ZINC000629755516 401079455 /nfs/dbraw/zinc/07/94/55/401079455.db2.gz SESYFLRQXSWJAJ-SFHVURJKSA-N 1 0 309.413 3.177 50 0 DGAARO CS[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)N(C)c2ccccc2)C1 ZINC000253371017 401098641 /nfs/dbraw/zinc/09/86/41/401098641.db2.gz ZMYPPYZYMBRJPI-IJEWVQPXSA-N 1 0 306.475 3.302 50 0 DGAARO Cc1cc(C)c(NC(=S)N[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000066010822 401289047 /nfs/dbraw/zinc/28/90/47/401289047.db2.gz OUTBZHGJUFWRCA-LBPRGKRZSA-N 1 0 323.893 3.480 50 0 DGAARO CO[C@]1(C)C[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1(C)C ZINC000096003177 286171646 /nfs/dbraw/zinc/17/16/46/286171646.db2.gz RNYRMBAMRMJLRG-DZGCQCFKSA-N 1 0 322.415 3.196 50 0 DGAARO COc1ccc(/C=C\C(=O)O[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000006007894 286268930 /nfs/dbraw/zinc/26/89/30/286268930.db2.gz SILLFJYUSYEXKG-MEODZPNASA-N 1 0 303.402 3.126 50 0 DGAARO COc1ccc([C@@H](c2ccc(F)cc2)N2CCC[NH2+]CC2)cc1 ZINC000022099159 286360289 /nfs/dbraw/zinc/36/02/89/286360289.db2.gz VQUTTWJGJYZNEH-LJQANCHMSA-N 1 0 314.404 3.219 50 0 DGAARO COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000248710867 286370452 /nfs/dbraw/zinc/37/04/52/286370452.db2.gz JBHWZMPZILAQAW-GGBBIFEXSA-N 1 0 317.429 3.312 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(C)nc32)C12CCCCC2 ZINC000097034728 286398161 /nfs/dbraw/zinc/39/81/61/286398161.db2.gz RCCZIPMICSYKBH-OWCLPIDISA-N 1 0 318.465 3.139 50 0 DGAARO Fc1ccc2c(c1)[nH]cc2C1CC[NH+](CCn2ccnc2)CC1 ZINC000131279774 196156163 /nfs/dbraw/zinc/15/61/63/196156163.db2.gz LLEJWHOCYUKITJ-UHFFFAOYSA-N 1 0 312.392 3.383 50 0 DGAARO CC[NH+]1CCN(c2cccc(NC3CCSCC3)c2)CC1 ZINC000190968669 432207479 /nfs/dbraw/zinc/20/74/79/432207479.db2.gz SJTCBNZMHJTMLW-UHFFFAOYSA-N 1 0 305.491 3.136 50 0 DGAARO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000299739223 229372869 /nfs/dbraw/zinc/37/28/69/229372869.db2.gz LZRVSDWRZWVOEZ-MGPQQGTHSA-N 1 0 324.852 3.002 50 0 DGAARO Cn1c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)nnc1C1CC1 ZINC000191363059 432256076 /nfs/dbraw/zinc/25/60/76/432256076.db2.gz OKKSOYCFTJIBIJ-IRXDYDNUSA-N 1 0 310.445 3.194 50 0 DGAARO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])c2ccc(Cl)cc2n1 ZINC000096133837 274677902 /nfs/dbraw/zinc/67/79/02/274677902.db2.gz LKWLJPBEVYRZGA-CYBMUJFWSA-N 1 0 317.820 3.150 50 0 DGAARO O=C(c1ccsc1)N1CCC[N@H+](C[C@H]2CC=CCC2)CC1 ZINC000092149076 275014968 /nfs/dbraw/zinc/01/49/68/275014968.db2.gz OPFVAKMZALLSJB-HNNXBMFYSA-N 1 0 304.459 3.252 50 0 DGAARO CC(=O)N1[C@H]([NH2+]C2CCCCC2)C[C@@H](C)N1c1ccccc1 ZINC000012342298 275778179 /nfs/dbraw/zinc/77/81/79/275778179.db2.gz ZKJKFUBVDNZNIV-KDOFPFPSSA-N 1 0 301.434 3.297 50 0 DGAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncnc2c(C)csc21 ZINC000192671580 276234398 /nfs/dbraw/zinc/23/43/98/276234398.db2.gz QYHZJTNGZQZJGK-OLZOCXBDSA-N 1 0 302.447 3.063 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCCC2 ZINC000096493351 276344888 /nfs/dbraw/zinc/34/48/88/276344888.db2.gz AZHRFBZNJWBEAJ-IAGOWNOFSA-N 1 0 317.477 3.089 50 0 DGAARO CC[NH+]1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000016580406 276359045 /nfs/dbraw/zinc/35/90/45/276359045.db2.gz YBOPXEJPNPRKRW-UHFFFAOYSA-N 1 0 304.478 3.193 50 0 DGAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H](C)c1ccncc1 ZINC000108087535 276476923 /nfs/dbraw/zinc/47/69/23/276476923.db2.gz HYPASAYFPYCQCY-INMHGKMJSA-N 1 0 303.450 3.015 50 0 DGAARO CN(CCC[NH+]1CCCC1)C(=O)CCc1ccc(Cl)cc1 ZINC000281832638 276831807 /nfs/dbraw/zinc/83/18/07/276831807.db2.gz WKSKMAIYPWJRQL-UHFFFAOYSA-N 1 0 308.853 3.217 50 0 DGAARO C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000000306719 277115546 /nfs/dbraw/zinc/11/55/46/277115546.db2.gz HVMSOAJSWYJCOB-UHFFFAOYSA-N 1 0 310.426 3.110 50 0 DGAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000089662578 277200052 /nfs/dbraw/zinc/20/00/52/277200052.db2.gz DRLNDFUTPYYWAA-GXTWGEPZSA-N 1 0 314.495 3.165 50 0 DGAARO CC(C)Oc1ccc([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000289634060 277701896 /nfs/dbraw/zinc/70/18/96/277701896.db2.gz ZXPWRHDQYRUPHS-OAHLLOKOSA-N 1 0 316.445 3.279 50 0 DGAARO CC(C)c1cc([C@H]2CCC[N@@H+]2CC(C)(C)N2CCOCC2)no1 ZINC000215479354 278020563 /nfs/dbraw/zinc/02/05/63/278020563.db2.gz RQHOBEZARLOFMY-MRXNPFEDSA-N 1 0 321.465 3.046 50 0 DGAARO COc1cccc2c1CC[N@H+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000194570451 278028863 /nfs/dbraw/zinc/02/88/63/278028863.db2.gz SXLUMCNESXZFBR-UHFFFAOYSA-N 1 0 313.445 3.317 50 0 DGAARO COc1ccccc1CN1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000019367712 278049303 /nfs/dbraw/zinc/04/93/03/278049303.db2.gz IMJWQTVSBYSWEY-WMZOPIPTSA-N 1 0 302.462 3.392 50 0 DGAARO OC(c1cccs1)(c1cccs1)[C@H]1C[NH+]2CCC1CC2 ZINC000000038073 431114668 /nfs/dbraw/zinc/11/46/68/431114668.db2.gz CTYCSOSPTSAGHP-ZDUSSCGKSA-N 1 0 305.468 3.387 50 0 in-vitro DGAARO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000108358093 431135541 /nfs/dbraw/zinc/13/55/41/431135541.db2.gz SMLZMTDMNPUKHY-UAGQMJEPSA-N 1 0 323.502 3.372 50 0 DGAARO C[C@H](CNC(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCCC[C@H]1C ZINC000252457159 279339135 /nfs/dbraw/zinc/33/91/35/279339135.db2.gz GMMFLFPYJXFBGZ-VXGBXAGGSA-N 1 0 311.376 3.349 50 0 DGAARO C[C@H](Cc1cccs1)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130196877 279383334 /nfs/dbraw/zinc/38/33/34/279383334.db2.gz OKUCYYPYKYJHSF-WWGRRREGSA-N 1 0 302.443 3.131 50 0 DGAARO O[C@@H](COc1ccc([C@@H]2C=CCC2)cc1)C[NH+]1CCCCC1 ZINC000000302646 431162668 /nfs/dbraw/zinc/16/26/68/431162668.db2.gz OOORMPLAZXXCBH-SJLPKXTDSA-N 1 0 301.430 3.346 50 0 DGAARO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000000355356 431170913 /nfs/dbraw/zinc/17/09/13/431170913.db2.gz PYLCVQNUBSGZQH-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 DGAARO C[C@H](Cn1cccn1)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000069375398 431179407 /nfs/dbraw/zinc/17/94/07/431179407.db2.gz DCLDWEUVKWGAML-MRXNPFEDSA-N 1 0 322.412 3.035 50 0 DGAARO CO[C@@](C)(C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000069453725 431185680 /nfs/dbraw/zinc/18/56/80/431185680.db2.gz IXNITZKRAWJFGS-LJQANCHMSA-N 1 0 312.413 3.249 50 0 DGAARO CC(C)c1ccc(CCC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000069434308 431186668 /nfs/dbraw/zinc/18/66/68/431186668.db2.gz LHSQRPYCBXQDGP-LJQANCHMSA-N 1 0 314.473 3.439 50 0 DGAARO CC[C@@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(F)cc2)N1O ZINC000000469196 431187889 /nfs/dbraw/zinc/18/78/89/431187889.db2.gz SPFPHNSUVABPQK-AEFFLSMTSA-N 1 0 314.360 3.481 50 0 DGAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000000212154 431147294 /nfs/dbraw/zinc/14/72/94/431147294.db2.gz PQPLMGHJWCVCQL-GOSISDBHSA-N 1 0 300.446 3.301 50 0 DGAARO C[C@H](C[NH+]1CCCC1)OC(=O)c1ccccc1Br ZINC000000210676 431147851 /nfs/dbraw/zinc/14/78/51/431147851.db2.gz ZBHILYLZZIRLAD-LLVKDONJSA-N 1 0 312.207 3.090 50 0 DGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000239165 431149955 /nfs/dbraw/zinc/14/99/55/431149955.db2.gz UKNPMJLUURMESN-ZDUSSCGKSA-N 1 0 315.335 3.481 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000000238436 431150568 /nfs/dbraw/zinc/15/05/68/431150568.db2.gz ZZCGZFNNNWWBHU-HNNXBMFYSA-N 1 0 308.853 3.420 50 0 DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000000240562 431151973 /nfs/dbraw/zinc/15/19/73/431151973.db2.gz FIBLKMIJVSJMCG-OAHLLOKOSA-N 1 0 308.853 3.420 50 0 DGAARO C[N@@H+]1CCC[C@H](OC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000000250448 431154797 /nfs/dbraw/zinc/15/47/97/431154797.db2.gz JOOITGNDMHFLJI-SFHVURJKSA-N 1 0 309.409 3.456 50 0 in-vitro DGAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cc(-c3cccs3)on2)c1 ZINC000069598024 431202649 /nfs/dbraw/zinc/20/26/49/431202649.db2.gz KAFOYKIUUFVDRL-LBPRGKRZSA-N 1 0 302.403 3.086 50 0 DGAARO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069653480 431207873 /nfs/dbraw/zinc/20/78/73/431207873.db2.gz LVGIVSZYRKOSQA-IBGZPJMESA-N 1 0 308.425 3.101 50 0 DGAARO Cc1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069661383 431208294 /nfs/dbraw/zinc/20/82/94/431208294.db2.gz VZKSPXSARLYPDK-ZWKOTPCHSA-N 1 0 300.446 3.013 50 0 DGAARO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069653482 431209631 /nfs/dbraw/zinc/20/96/31/431209631.db2.gz LVGIVSZYRKOSQA-LJQANCHMSA-N 1 0 308.425 3.101 50 0 DGAARO CC[C@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(F)cc2)N1O ZINC000001137258 431215633 /nfs/dbraw/zinc/21/56/33/431215633.db2.gz SPFPHNSUVABPQK-FUHWJXTLSA-N 1 0 314.360 3.481 50 0 DGAARO COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000002494935 431255726 /nfs/dbraw/zinc/25/57/26/431255726.db2.gz WGRHTLDTHXQIRM-UHFFFAOYSA-N 1 0 318.461 3.154 50 0 DGAARO CC(C)c1nnc2sc([C@H]3CCC[N@@H+](C4CCCC4)C3)nn21 ZINC000071422374 431279470 /nfs/dbraw/zinc/27/94/70/431279470.db2.gz VNGRYOWRQUWQQW-LBPRGKRZSA-N 1 0 319.478 3.431 50 0 DGAARO [NH3+]C1(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)CCC1 ZINC000071614861 431281993 /nfs/dbraw/zinc/28/19/93/431281993.db2.gz YPURFZQFUSIFAA-ZDUSSCGKSA-N 1 0 322.399 3.017 50 0 DGAARO C[N@@H+]1CCCN(C(=O)c2ccccc2OCc2ccccc2)CC1 ZINC000003225613 431286128 /nfs/dbraw/zinc/28/61/28/431286128.db2.gz SACGKHKNHGPXGJ-UHFFFAOYSA-N 1 0 324.424 3.043 50 0 DGAARO C[N@@H+]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000003235373 431287729 /nfs/dbraw/zinc/28/77/29/431287729.db2.gz UGTCRPVZMSLODY-UHFFFAOYSA-N 1 0 322.452 3.373 50 0 DGAARO Cc1oc(-c2ccco2)nc1C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000071882113 431303520 /nfs/dbraw/zinc/30/35/20/431303520.db2.gz HVXGTOAZJOXUMT-NEPJUHHUSA-N 1 0 300.362 3.179 50 0 DGAARO Cc1cnn(C[C@H](C)[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000071872162 431305199 /nfs/dbraw/zinc/30/51/99/431305199.db2.gz PLQHFPRKJUJMNV-LBPRGKRZSA-N 1 0 302.403 3.086 50 0 DGAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3nc2C)c1 ZINC000071878649 431305300 /nfs/dbraw/zinc/30/53/00/431305300.db2.gz HTRHSCZLBWKZRY-INIZCTEOSA-N 1 0 321.428 3.108 50 0 DGAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cc3ccccc3o1)CC2 ZINC000071877298 431305686 /nfs/dbraw/zinc/30/56/86/431305686.db2.gz WAAKBGJEGSDKHS-AWEZNQCLSA-N 1 0 310.401 3.252 50 0 DGAARO [NH3+]CC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1F ZINC000262127637 279631786 /nfs/dbraw/zinc/63/17/86/279631786.db2.gz LFILBHKWHYFZDY-SNVBAGLBSA-N 1 0 318.314 3.188 50 0 DGAARO COc1cc(C)ccc1OCCOCC[N@@H+]1CCC[C@H](C)C1 ZINC000002825112 431272493 /nfs/dbraw/zinc/27/24/93/431272493.db2.gz SUHMCKYNSMZKIV-INIZCTEOSA-N 1 0 307.434 3.131 50 0 DGAARO CCCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000002857780 431272844 /nfs/dbraw/zinc/27/28/44/431272844.db2.gz BPROVZZEVXKIDF-UHFFFAOYSA-N 1 0 303.450 3.347 50 0 DGAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(Br)cc1 ZINC000002822413 431273190 /nfs/dbraw/zinc/27/31/90/431273190.db2.gz PODCOCHLJIPTPF-GFCCVEGCSA-N 1 0 316.239 3.233 50 0 DGAARO CCOc1ccccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000006713037 431319363 /nfs/dbraw/zinc/31/93/63/431319363.db2.gz KKYSDKRFVCVDRJ-UHFFFAOYSA-N 1 0 310.441 3.450 50 0 DGAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1scnc1C(C)(C)C ZINC000072309553 431336324 /nfs/dbraw/zinc/33/63/24/431336324.db2.gz UWKUIZHSLLTDCM-CHWSQXEVSA-N 1 0 323.506 3.291 50 0 DGAARO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C1CC1)c1ccccc1 ZINC000007387726 431344517 /nfs/dbraw/zinc/34/45/17/431344517.db2.gz JWBKTYINXWGDOE-GOSISDBHSA-N 1 0 310.397 3.435 50 0 DGAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1ccccc1 ZINC000008862637 431414945 /nfs/dbraw/zinc/41/49/45/431414945.db2.gz QCUGYSIKPIKFDL-INIZCTEOSA-N 1 0 300.427 3.315 50 0 DGAARO CC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccc(C)cc1 ZINC000008937924 431417076 /nfs/dbraw/zinc/41/70/76/431417076.db2.gz DMJGWYFBPBNUAN-OAHLLOKOSA-N 1 0 301.390 3.141 50 0 DGAARO C[C@@H](O)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008535088 431399011 /nfs/dbraw/zinc/39/90/11/431399011.db2.gz AGLGRNZCZMHSDV-CYBMUJFWSA-N 1 0 305.805 3.389 50 0 DGAARO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](C)C2)C(C)C)cc1 ZINC000010051459 431452415 /nfs/dbraw/zinc/45/24/15/431452415.db2.gz KLLWBTBMNOYGII-DNVCBOLYSA-N 1 0 318.461 3.240 50 0 DGAARO Cc1sc2cc(C(=O)N(C)C)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487404 431480678 /nfs/dbraw/zinc/48/06/78/431480678.db2.gz ADGYEDRPQTWRBN-UHFFFAOYSA-N 1 0 305.447 3.226 50 0 DGAARO C[C@@H](Nc1cc[nH+]cc1NC(=O)c1ccsc1)[C@@H]1CCCO1 ZINC000075141627 431458043 /nfs/dbraw/zinc/45/80/43/431458043.db2.gz BAFWQDYIKFDVEC-ABAIWWIYSA-N 1 0 317.414 3.375 50 0 DGAARO CC1CC[NH+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000010434661 431459845 /nfs/dbraw/zinc/45/98/45/431459845.db2.gz ZJDKTGNYFOBONO-NNGLDNROSA-N 1 0 307.478 3.065 50 0 DGAARO c1ccc2c(c1)CCO[C@@H]2CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000115522899 431460998 /nfs/dbraw/zinc/46/09/98/431460998.db2.gz BBRZBSULANCUTR-HRCADAONSA-N 1 0 302.443 3.304 50 0 DGAARO CCCCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000009376838 431433083 /nfs/dbraw/zinc/43/30/83/431433083.db2.gz JZBYKYJDAKPZRO-UHFFFAOYSA-N 1 0 309.841 3.221 50 0 DGAARO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012648415 431522785 /nfs/dbraw/zinc/52/27/85/431522785.db2.gz VOIHNUNUMKRMPP-IYBDPMFKSA-N 1 0 304.434 3.131 50 0 DGAARO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000012796207 431529309 /nfs/dbraw/zinc/52/93/09/431529309.db2.gz GCXFEDYWJNMCGX-CHWSQXEVSA-N 1 0 302.374 3.356 50 0 DGAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1F ZINC000011822159 431483978 /nfs/dbraw/zinc/48/39/78/431483978.db2.gz TYZFXCTWJAJFRB-HNNXBMFYSA-N 1 0 303.356 3.436 50 0 DGAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](CCO)C(C)C ZINC000011841335 431485337 /nfs/dbraw/zinc/48/53/37/431485337.db2.gz KDTHKKGVKCVEGQ-UHFFFAOYSA-N 1 0 310.344 3.131 50 0 DGAARO OC[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccoc2)C1 ZINC000011950772 431488147 /nfs/dbraw/zinc/48/81/47/431488147.db2.gz YCZKGYYDTDPHEV-LJQANCHMSA-N 1 0 315.413 3.323 50 0 DGAARO c1ccc(N[C@@H]2CCC[N@H+](C3CSCCSC3)C2)cc1 ZINC000012304428 431500640 /nfs/dbraw/zinc/50/06/40/431500640.db2.gz TYBNKFGSEXKSKI-OAHLLOKOSA-N 1 0 308.516 3.412 50 0 DGAARO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2cc(=O)c(O)co2)cc1 ZINC000075886578 431502416 /nfs/dbraw/zinc/50/24/16/431502416.db2.gz LFKQHZSRRJGRER-IAGOWNOFSA-N 1 0 313.397 3.422 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)c2csc3c2CCCC3)CC1 ZINC000012382562 431503263 /nfs/dbraw/zinc/50/32/63/431503263.db2.gz JEBVXIKZAWDOPK-UHFFFAOYSA-N 1 0 306.475 3.230 50 0 DGAARO Cc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000012348906 431504692 /nfs/dbraw/zinc/50/46/92/431504692.db2.gz RDOSKVKYKDRYLI-OAHLLOKOSA-N 1 0 303.431 3.481 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000012414183 431505726 /nfs/dbraw/zinc/50/57/26/431505726.db2.gz RUMKZIFJOPNRSJ-UXJMZZSFSA-N 1 0 307.478 3.207 50 0 DGAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000012414170 431506644 /nfs/dbraw/zinc/50/66/44/431506644.db2.gz HYFKIRCASFBQCZ-UXJMZZSFSA-N 1 0 307.478 3.065 50 0 DGAARO CN(C(=O)C1=CCCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012429612 431511389 /nfs/dbraw/zinc/51/13/89/431511389.db2.gz GKCUBNAHIHSCHZ-IBGZPJMESA-N 1 0 312.457 3.262 50 0 DGAARO CSCCC[N@@H+]1CCC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000012507546 431512098 /nfs/dbraw/zinc/51/20/98/431512098.db2.gz WUTLZGJLPFCURX-KRWDZBQOSA-N 1 0 311.466 3.196 50 0 DGAARO CC1CC[NH+](CCCNC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000013669957 431562549 /nfs/dbraw/zinc/56/25/49/431562549.db2.gz UFAYRSGKZRFJBO-UHFFFAOYSA-N 1 0 308.853 3.121 50 0 DGAARO O=C(NCC[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000013326163 431551780 /nfs/dbraw/zinc/55/17/80/431551780.db2.gz KOBPKXNUSKPCDV-UHFFFAOYSA-N 1 0 301.217 3.209 50 0 DGAARO Fc1cc(Br)ccc1OCCC[NH+]1CCCC1 ZINC000117215115 431552736 /nfs/dbraw/zinc/55/27/36/431552736.db2.gz ZEICPQIBTYBFNN-UHFFFAOYSA-N 1 0 302.187 3.453 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2Cl)C1 ZINC000013646473 431564775 /nfs/dbraw/zinc/56/47/75/431564775.db2.gz PCYURQFCTSIWCX-ZIAGYGMSSA-N 1 0 308.853 3.438 50 0 DGAARO CC[C@@H](C)[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)C1CCCC1 ZINC000055280973 280103348 /nfs/dbraw/zinc/10/33/48/280103348.db2.gz SQKGPXJAWDMCFX-CQSZACIVSA-N 1 0 324.490 3.138 50 0 DGAARO CCOc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000013745498 431569466 /nfs/dbraw/zinc/56/94/66/431569466.db2.gz RSKJBRUTAHNYCL-UHFFFAOYSA-N 1 0 316.445 3.176 50 0 DGAARO Cc1cc(C)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000013745530 431570256 /nfs/dbraw/zinc/57/02/56/431570256.db2.gz MKPFWLHUCIPIMV-UHFFFAOYSA-N 1 0 300.446 3.394 50 0 DGAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237742898 280263082 /nfs/dbraw/zinc/26/30/82/280263082.db2.gz IALNSGIDQFVKTQ-LBPRGKRZSA-N 1 0 306.793 3.348 50 0 DGAARO CC(=O)NC[C@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000077271907 431577657 /nfs/dbraw/zinc/57/76/57/431577657.db2.gz ZJAMASVWBRQSQY-MRXNPFEDSA-N 1 0 308.853 3.121 50 0 DGAARO COC[C@@H](C)[NH+]1CCC(CO)(CCCc2ccccc2)CC1 ZINC000014975137 431598654 /nfs/dbraw/zinc/59/86/54/431598654.db2.gz FRBRUNCSRRZBOS-QGZVFWFLSA-N 1 0 305.462 3.119 50 0 DGAARO CC(C)SCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000077520785 431604916 /nfs/dbraw/zinc/60/49/16/431604916.db2.gz MRVQLQDVXSYEOY-CQSZACIVSA-N 1 0 318.446 3.410 50 0 DGAARO Cc1ccc(C[NH+]2CCC(CN(C)Cc3nccs3)CC2)o1 ZINC000015080792 431599726 /nfs/dbraw/zinc/59/97/26/431599726.db2.gz CDNHDCZNGOVDGY-UHFFFAOYSA-N 1 0 319.474 3.389 50 0 DGAARO CCc1nc(N(C)CC2([NH+]3CCCCC3)CCCCC2)no1 ZINC000077487809 431600752 /nfs/dbraw/zinc/60/07/52/431600752.db2.gz LAOTVBCTJRKYHW-UHFFFAOYSA-N 1 0 306.454 3.257 50 0 DGAARO Fc1ccc(Oc2ncccc2C[NH2+]C2CCOCC2)cc1F ZINC000015066793 431600815 /nfs/dbraw/zinc/60/08/15/431600815.db2.gz RWPZLTOLAVKHCT-UHFFFAOYSA-N 1 0 320.339 3.421 50 0 DGAARO CCCn1c2ccccc2nc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000077290902 431580763 /nfs/dbraw/zinc/58/07/63/431580763.db2.gz XWIOTFLMICSURA-HNNXBMFYSA-N 1 0 312.461 3.020 50 0 DGAARO CCn1nc(C)c(C[NH+]2CCC(CCn3cccn3)CC2)c1C ZINC000077300397 431581911 /nfs/dbraw/zinc/58/19/11/431581911.db2.gz MXUIURXSRGBVEX-UHFFFAOYSA-N 1 0 315.465 3.019 50 0 DGAARO CC(=O)c1ccccc1OCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016488386 431613548 /nfs/dbraw/zinc/61/35/48/431613548.db2.gz XNMVAPGCGJVSOX-GASCZTMLSA-N 1 0 305.418 3.157 50 0 DGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cccc(OC)c1 ZINC000019957841 431621869 /nfs/dbraw/zinc/62/18/69/431621869.db2.gz QATSAZRBARWIJP-GOSISDBHSA-N 1 0 308.381 3.420 50 0 DGAARO Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(C)c1 ZINC000020218754 431622945 /nfs/dbraw/zinc/62/29/45/431622945.db2.gz BAKDCTRFZZTLJI-HXUWFJFHSA-N 1 0 310.441 3.159 50 0 DGAARO C[NH+](C)Cn1cc(CCCC(=O)N2CCCC2)c2ccccc21 ZINC000020649329 431626424 /nfs/dbraw/zinc/62/64/24/431626424.db2.gz OZLSRIVVIOTVRY-UHFFFAOYSA-N 1 0 313.445 3.106 50 0 DGAARO Cc1ccc2cc(C(=O)N3CCC[C@@H]3Cn3ccnc3)ccc2n1 ZINC000119018665 431634858 /nfs/dbraw/zinc/63/48/58/431634858.db2.gz UTONXAUBYXOSNP-QGZVFWFLSA-N 1 0 320.396 3.045 50 0 DGAARO OC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000023281361 431637057 /nfs/dbraw/zinc/63/70/57/431637057.db2.gz IHZUBCQZYLSFIX-IBGZPJMESA-N 1 0 311.425 3.470 50 0 DGAARO NC(=O)[C@H]([NH2+]CCSc1ccc(Cl)cc1)c1ccccc1 ZINC000026221257 431672028 /nfs/dbraw/zinc/67/20/28/431672028.db2.gz FBHZNGCQMIVLNQ-OAHLLOKOSA-N 1 0 320.845 3.248 50 0 DGAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1cccc2c1OCCCO2 ZINC000078553149 431681791 /nfs/dbraw/zinc/68/17/91/431681791.db2.gz QCBZVHBBWWRXPK-LBPRGKRZSA-N 1 0 315.417 3.049 50 0 DGAARO Cc1cc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)ccc1F ZINC000078552362 431681879 /nfs/dbraw/zinc/68/18/79/431681879.db2.gz XEPRKJGRFHBHBK-SFHVURJKSA-N 1 0 314.404 3.443 50 0 DGAARO Cc1ccsc1C[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027221326 431686710 /nfs/dbraw/zinc/68/67/10/431686710.db2.gz BRBRIZZOOZQWPJ-NSHDSACASA-N 1 0 302.399 3.238 50 0 DGAARO CC[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 ZINC000028628526 431708676 /nfs/dbraw/zinc/70/86/76/431708676.db2.gz XXSXUFUJLDNHEC-UHFFFAOYSA-N 1 0 322.408 3.195 50 0 DGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000029838448 431730877 /nfs/dbraw/zinc/73/08/77/431730877.db2.gz FFYLQEBZBNRSAS-UHFFFAOYSA-N 1 0 312.388 3.004 50 0 DGAARO CCOc1ncccc1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000030901502 431747908 /nfs/dbraw/zinc/74/79/08/431747908.db2.gz OEQYYDOJWNXQRN-UHFFFAOYSA-N 1 0 314.414 3.222 50 0 DGAARO c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1cccc3cccnc31)O2 ZINC000032899493 431799936 /nfs/dbraw/zinc/79/99/36/431799936.db2.gz HIYOMLKCLCXLLB-MRXNPFEDSA-N 1 0 306.365 3.164 50 0 DGAARO O=C(Nc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032912679 431801436 /nfs/dbraw/zinc/80/14/36/431801436.db2.gz HUQJAMXWSKCTSG-SFHVURJKSA-N 1 0 309.413 3.473 50 0 DGAARO CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCSC)CC[C@@H]1c1ccccc1 ZINC000121666896 431803730 /nfs/dbraw/zinc/80/37/30/431803730.db2.gz YTYFMAYFDOFJNW-HYVNUMGLSA-N 1 0 320.502 3.109 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000121647712 431804036 /nfs/dbraw/zinc/80/40/36/431804036.db2.gz MDWALVPKRSJGAU-ZIAGYGMSSA-N 1 0 314.495 3.308 50 0 DGAARO CC[N@@H+]1CCC[C@H](OC(=O)c2ccccc2Br)C1 ZINC000032962580 431804304 /nfs/dbraw/zinc/80/43/04/431804304.db2.gz GFDMNBUOKYWOJB-NSHDSACASA-N 1 0 312.207 3.090 50 0 DGAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cccc(F)c2)cn1 ZINC000083843425 431811506 /nfs/dbraw/zinc/81/15/06/431811506.db2.gz ZBSIIEMBYXGQGV-DHSIGJKJSA-N 1 0 317.408 3.471 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)s1)c1cccs1 ZINC000033471914 431813705 /nfs/dbraw/zinc/81/37/05/431813705.db2.gz ALYLJGKHXWSSIB-VIFPVBQESA-N 1 0 314.863 3.496 50 0 DGAARO C[C@@H](SC(F)(F)F)C(=O)Nc1ccccc1C[NH+](C)C ZINC000040514139 431858194 /nfs/dbraw/zinc/85/81/94/431858194.db2.gz QSXBLLIJUIHHOE-SECBINFHSA-N 1 0 306.353 3.328 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@H](CC)c2nc(C)cs2)CC1 ZINC000089152196 431860649 /nfs/dbraw/zinc/86/06/49/431860649.db2.gz VXBRAMRLCGSNRL-CYBMUJFWSA-N 1 0 311.451 3.113 50 0 DGAARO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)cc1 ZINC000089284862 431862742 /nfs/dbraw/zinc/86/27/42/431862742.db2.gz JUYGDERNQSLQJV-PKOBYXMFSA-N 1 0 314.473 3.376 50 0 DGAARO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)cc1 ZINC000089284863 431862866 /nfs/dbraw/zinc/86/28/66/431862866.db2.gz JUYGDERNQSLQJV-HKUYNNGSSA-N 1 0 314.473 3.376 50 0 DGAARO CC[NH2+]Cc1cccc(NC(=O)c2occc2Br)c1 ZINC000123530643 431867396 /nfs/dbraw/zinc/86/73/96/431867396.db2.gz BYCSEPUSXWUWEK-UHFFFAOYSA-N 1 0 323.190 3.404 50 0 DGAARO CSC[C@H](CCO)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000089493436 431867874 /nfs/dbraw/zinc/86/78/74/431867874.db2.gz HLODNHMYSIDFBN-LBPRGKRZSA-N 1 0 310.850 3.092 50 0 DGAARO CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCCn3ccnc32)s1 ZINC000084325313 431822743 /nfs/dbraw/zinc/82/27/43/431822743.db2.gz QYWKORWPPHKTSA-GFCCVEGCSA-N 1 0 304.463 3.304 50 0 DGAARO CC[NH2+]C1(c2nnnn2-c2c(C)cccc2CC)CCCCC1 ZINC000035622592 431832034 /nfs/dbraw/zinc/83/20/34/431832034.db2.gz HPZFTZKJWRNWBL-UHFFFAOYSA-N 1 0 313.449 3.302 50 0 DGAARO CCC[N@@H+](Cc1ccc(C)s1)C[C@H](O)COCc1ccco1 ZINC000036101476 431834715 /nfs/dbraw/zinc/83/47/15/431834715.db2.gz CLIMTUABPUOACY-HNNXBMFYSA-N 1 0 323.458 3.439 50 0 DGAARO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000085308326 431838290 /nfs/dbraw/zinc/83/82/90/431838290.db2.gz BXEZDRILBBZWEV-VGOFRKELSA-N 1 0 315.438 3.428 50 0 DGAARO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000085308328 431838438 /nfs/dbraw/zinc/83/84/38/431838438.db2.gz BXEZDRILBBZWEV-JTSKRJEESA-N 1 0 315.438 3.428 50 0 DGAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cccc2c[nH]nc21 ZINC000095448872 431926086 /nfs/dbraw/zinc/92/60/86/431926086.db2.gz PARWPPNKMDJBLT-SJKOYZFVSA-N 1 0 313.376 3.304 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(F)cc(F)c2)C1 ZINC000047415965 431910405 /nfs/dbraw/zinc/91/04/05/431910405.db2.gz BSUYUODMVXVPRG-BETUJISGSA-N 1 0 310.388 3.063 50 0 DGAARO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc2c(c1)CCC(=O)N2 ZINC000047826891 431916635 /nfs/dbraw/zinc/91/66/35/431916635.db2.gz MYCPVTFATUTBGZ-GFCCVEGCSA-N 1 0 324.380 3.151 50 0 DGAARO C[S@@](=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000093666197 431916693 /nfs/dbraw/zinc/91/66/93/431916693.db2.gz YQMAHJOJHLKLEV-JTSKRJEESA-N 1 0 321.486 3.348 50 0 DGAARO CC(C)[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 ZINC000095354520 431922751 /nfs/dbraw/zinc/92/27/51/431922751.db2.gz FAHKAPQIRIHZRB-KRWDZBQOSA-N 1 0 300.446 3.123 50 0 DGAARO Cc1cc(CNC(=O)NCCC[N@H+]2CCC[C@H](C)C2)ccc1F ZINC000048317770 431922805 /nfs/dbraw/zinc/92/28/05/431922805.db2.gz QCSJGBYVVQQVGD-AWEZNQCLSA-N 1 0 321.440 3.055 50 0 DGAARO O=C(C[N@@H+]1CCC[C@@H]1CCc1ccccc1)N1CCCCC1 ZINC000048324379 431922830 /nfs/dbraw/zinc/92/28/30/431922830.db2.gz DJGAWTFATOXMJW-GOSISDBHSA-N 1 0 300.446 3.096 50 0 DGAARO COc1ccc(CC[NH2+][C@@H](C)c2cccc(O)c2)cc1OC ZINC000095349335 431922883 /nfs/dbraw/zinc/92/28/83/431922883.db2.gz QGJZFVUGIPYSDQ-ZDUSSCGKSA-N 1 0 301.386 3.303 50 0 DGAARO CC(C)c1cc(CN(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)no1 ZINC000095356667 431923035 /nfs/dbraw/zinc/92/30/35/431923035.db2.gz SXSGXCZPKXDDLF-OAHLLOKOSA-N 1 0 307.438 3.021 50 0 DGAARO CC(=O)c1cnc(NC[C@@H](c2sccc2C)[NH+](C)C)nc1C ZINC000095364210 431923258 /nfs/dbraw/zinc/92/32/58/431923258.db2.gz DEGPOKXIFGNGDI-AWEZNQCLSA-N 1 0 318.446 3.072 50 0 DGAARO Cc1cccc(CC2(NC(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000095367749 431923320 /nfs/dbraw/zinc/92/33/20/431923320.db2.gz OBKFVAWGEFMKSO-SFHVURJKSA-N 1 0 314.473 3.451 50 0 DGAARO Clc1ccc(-n2ncnc2[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000095357056 431923506 /nfs/dbraw/zinc/92/35/06/431923506.db2.gz UMWUCTGJCUNBOJ-NSHDSACASA-N 1 0 323.227 3.431 50 0 DGAARO Cc1ccc2c(c1)SCC(=O)N2C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000095383883 431923665 /nfs/dbraw/zinc/92/36/65/431923665.db2.gz WADLIDGCYXAJMR-CQSZACIVSA-N 1 0 304.459 3.164 50 0 DGAARO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000095380826 431923789 /nfs/dbraw/zinc/92/37/89/431923789.db2.gz SBAUSSUBZANGDJ-KRWDZBQOSA-N 1 0 318.436 3.262 50 0 DGAARO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)c(F)c2)o1 ZINC000048332693 431923869 /nfs/dbraw/zinc/92/38/69/431923869.db2.gz LGDYWBZNFWCGCG-LBPRGKRZSA-N 1 0 300.337 3.159 50 0 DGAARO CC[C@@H]([NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)c1ccncc1 ZINC000095375855 431924113 /nfs/dbraw/zinc/92/41/13/431924113.db2.gz MMMLUZXDDGILQV-MRXNPFEDSA-N 1 0 311.360 3.303 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)OCC(F)(F)F ZINC000048344116 431924144 /nfs/dbraw/zinc/92/41/44/431924144.db2.gz YOTPMRIZWUFSKY-NSHDSACASA-N 1 0 320.311 3.095 50 0 DGAARO CSCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048354077 431924351 /nfs/dbraw/zinc/92/43/51/431924351.db2.gz QAHKGXQSLYUUPK-GJZGRUSLSA-N 1 0 320.502 3.144 50 0 DGAARO CNc1nc(NC[C@H]2CCOc3ccccc3C2)[nH+]c2c1CCC2 ZINC000095375267 431924440 /nfs/dbraw/zinc/92/44/40/431924440.db2.gz WMOBUTVIVVAWJH-ZDUSSCGKSA-N 1 0 324.428 3.060 50 0 DGAARO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000095422671 431924677 /nfs/dbraw/zinc/92/46/77/431924677.db2.gz FWXFGNMKMLDFDO-SGTLLEGYSA-N 1 0 319.376 3.227 50 0 DGAARO CCCCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000048355350 431924951 /nfs/dbraw/zinc/92/49/51/431924951.db2.gz NSNQMYXQBNZOSY-UHFFFAOYSA-N 1 0 317.477 3.137 50 0 DGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000095430572 431925071 /nfs/dbraw/zinc/92/50/71/431925071.db2.gz SYJHXRGZSLVKDS-KAUDDPROSA-N 1 0 305.487 3.460 50 0 DGAARO COc1ccccc1C[C@@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000095422980 431925159 /nfs/dbraw/zinc/92/51/59/431925159.db2.gz CYQOCFTVMMNHBL-DYVFJYSZSA-N 1 0 305.443 3.185 50 0 DGAARO COc1ccccc1C[C@@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000095422982 431925230 /nfs/dbraw/zinc/92/52/30/431925230.db2.gz CYQOCFTVMMNHBL-CXAGYDPISA-N 1 0 305.443 3.185 50 0 DGAARO Cc1cnc([C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)s1 ZINC000089702366 431875385 /nfs/dbraw/zinc/87/53/85/431875385.db2.gz IKSKXXFNHVIDTF-UKRRQHHQSA-N 1 0 321.490 3.283 50 0 DGAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCOC[C@H]1CCCO1 ZINC000095422499 431925263 /nfs/dbraw/zinc/92/52/63/431925263.db2.gz 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431925535 /nfs/dbraw/zinc/92/55/35/431925535.db2.gz SWWTVZSJSRQELA-OCCSQVGLSA-N 1 0 300.427 3.484 50 0 DGAARO CC(C)(C)c1ncc(C[NH2+][C@@]2(CO)CCc3ccccc32)s1 ZINC000095429780 431925560 /nfs/dbraw/zinc/92/55/60/431925560.db2.gz YDDVAZNJNVMOOY-GOSISDBHSA-N 1 0 316.470 3.364 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cncc(F)c1 ZINC000089904605 431884594 /nfs/dbraw/zinc/88/45/94/431884594.db2.gz ZPWCXLWSOJOUBP-RDTXWAMCSA-N 1 0 301.409 3.044 50 0 DGAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000089949026 431887166 /nfs/dbraw/zinc/88/71/66/431887166.db2.gz MMJMPRCCRMWXRT-LRDDRELGSA-N 1 0 322.399 3.092 50 0 DGAARO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046266369 431896473 /nfs/dbraw/zinc/89/64/73/431896473.db2.gz RWOZIPJBJYGKHH-RHSMWYFYSA-N 1 0 321.440 3.403 50 0 DGAARO CC[C@@H]1CN(C(=O)c2ccc3occc3c2)CC[N@@H+]1C(C)C ZINC000091254699 431904352 /nfs/dbraw/zinc/90/43/52/431904352.db2.gz RZMDKJZIFVNMEW-MRXNPFEDSA-N 1 0 300.402 3.378 50 0 DGAARO CC(C)(C)[NH2+]CCNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000097594147 431971850 /nfs/dbraw/zinc/97/18/50/431971850.db2.gz SLFHIIFHTZDRCH-UHFFFAOYSA-N 1 0 324.424 3.036 50 0 DGAARO CSCCC[N@@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097657341 431972044 /nfs/dbraw/zinc/97/20/44/431972044.db2.gz DBAWKMJMFDSFFJ-UHFFFAOYSA-N 1 0 323.412 3.466 50 0 DGAARO Cn1cc(C[N@H+](Cc2ccc(OC(F)F)cc2)C2CC2)cn1 ZINC000097618913 431972055 /nfs/dbraw/zinc/97/20/55/431972055.db2.gz HUHZTQRMNVYCRK-UHFFFAOYSA-N 1 0 307.344 3.186 50 0 DGAARO COc1cc(C[NH+]2CCC(c3ccnc(C)n3)CC2)ccc1F ZINC000097675355 431973487 /nfs/dbraw/zinc/97/34/87/431973487.db2.gz SRZHDJBPNYQMCC-UHFFFAOYSA-N 1 0 315.392 3.312 50 0 DGAARO C[C@H](c1cccc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1)[NH+](C)C ZINC000097797663 431975500 /nfs/dbraw/zinc/97/55/00/431975500.db2.gz QVAJMSATJLKJDD-OAHLLOKOSA-N 1 0 318.461 3.386 50 0 DGAARO c1c(C2CC2)nnn1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000055036494 431975677 /nfs/dbraw/zinc/97/56/77/431975677.db2.gz DOHACQILPUGEJW-UHFFFAOYSA-N 1 0 310.445 3.425 50 0 DGAARO C[NH+](C)CCN(Cc1ccsc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000055182685 431977749 /nfs/dbraw/zinc/97/77/49/431977749.db2.gz DJXVSQUMLRDEDJ-UHFFFAOYSA-N 1 0 320.506 3.333 50 0 DGAARO Cc1cc(C)n(CCC[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)n1 ZINC000055244221 431978190 /nfs/dbraw/zinc/97/81/90/431978190.db2.gz PLRCZPYBWLQHGD-INIZCTEOSA-N 1 0 300.450 3.156 50 0 DGAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1cccc2c1OCO2 ZINC000055253291 431978193 /nfs/dbraw/zinc/97/81/93/431978193.db2.gz MJGPWNSTGLQVLY-HNNXBMFYSA-N 1 0 319.426 3.250 50 0 DGAARO Cc1ccc2nc(C)c(C(=O)NCC[C@H]3CCC[N@H+]3C)cc2c1 ZINC000055284930 431978952 /nfs/dbraw/zinc/97/89/52/431978952.db2.gz WXLRHAHCICEOHK-MRXNPFEDSA-N 1 0 311.429 3.066 50 0 DGAARO Cc1ccsc1CN(C(=O)C[NH+]1CCCC1)C1CCCC1 ZINC000055308003 431979583 /nfs/dbraw/zinc/97/95/83/431979583.db2.gz KGFQKJZIOLIJLJ-UHFFFAOYSA-N 1 0 306.475 3.424 50 0 DGAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(C)n1 ZINC000048477239 431926644 /nfs/dbraw/zinc/92/66/44/431926644.db2.gz 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[NH3+][C@@H]1CC[C@H](C(=O)NCc2cccc(Oc3ccccc3)c2)C1 ZINC000152022665 432297984 /nfs/dbraw/zinc/29/79/84/432297984.db2.gz RPGFXIUHTOXHOQ-JKSUJKDBSA-N 1 0 310.397 3.223 50 0 DGAARO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058377687 431996142 /nfs/dbraw/zinc/99/61/42/431996142.db2.gz OJXYXPODKAUEDR-KGLIPLIRSA-N 1 0 310.401 3.330 50 0 DGAARO FC(F)(F)c1ccn([C@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)n1 ZINC000249039865 432335004 /nfs/dbraw/zinc/33/50/04/432335004.db2.gz UNBCKSOTSYHSSG-QWHCGFSZSA-N 1 0 315.339 3.232 50 0 DGAARO COc1cccc2c1CC[C@H]([NH2+]CCc1cn3ccccc3n1)C2 ZINC000192438761 432373112 /nfs/dbraw/zinc/37/31/12/432373112.db2.gz VQGNULORIGZBGI-INIZCTEOSA-N 1 0 321.424 3.033 50 0 DGAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2CCc2ccccc2)C1 ZINC000252452438 432375931 /nfs/dbraw/zinc/37/59/31/432375931.db2.gz ILZKFQIMEMMVIE-MJGOQNOKSA-N 1 0 314.473 3.342 50 0 DGAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000252486972 432377518 /nfs/dbraw/zinc/37/75/18/432377518.db2.gz PZLWGTHUHUFOFC-WDTWZTHCSA-N 1 0 305.418 3.029 50 0 DGAARO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000252479313 432378186 /nfs/dbraw/zinc/37/81/86/432378186.db2.gz BCWGZBBVCBAQQM-KRWDZBQOSA-N 1 0 306.425 3.439 50 0 DGAARO COc1ccccc1OC1CC[NH+](C2CCSCC2)CC1 ZINC000252489400 432379701 /nfs/dbraw/zinc/37/97/01/432379701.db2.gz JQFAUGRVOLJDTI-UHFFFAOYSA-N 1 0 307.459 3.434 50 0 DGAARO CS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000252512779 432381875 /nfs/dbraw/zinc/38/18/75/432381875.db2.gz VNOZQQBCJYOWKV-FXUDXRNXSA-N 1 0 312.523 3.334 50 0 DGAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1cc(C2CC2)on1 ZINC000252553122 432382609 /nfs/dbraw/zinc/38/26/09/432382609.db2.gz VGALDUHCRUXBRK-AWEZNQCLSA-N 1 0 317.433 3.079 50 0 DGAARO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H]1C ZINC000253369318 432391483 /nfs/dbraw/zinc/39/14/83/432391483.db2.gz AXABCHIFBUYAHV-NUJGCVRESA-N 1 0 301.478 3.460 50 0 DGAARO CSc1cccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1C ZINC000253426200 432391851 /nfs/dbraw/zinc/39/18/51/432391851.db2.gz NVXOILWODNTFGG-UKRRQHHQSA-N 1 0 319.474 3.275 50 0 DGAARO Fc1cnc(Br)cc1C[NH2+]CCc1cccs1 ZINC000253427683 432397140 /nfs/dbraw/zinc/39/71/40/432397140.db2.gz GJYRRNCWKCCHDD-UHFFFAOYSA-N 1 0 315.211 3.377 50 0 DGAARO C[C@@H](c1cnccn1)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000184546942 432404968 /nfs/dbraw/zinc/40/49/68/432404968.db2.gz VUDNRUKDFYRWAV-INIZCTEOSA-N 1 0 322.456 3.312 50 0 DGAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccncc2F)C1 ZINC000184184873 432363819 /nfs/dbraw/zinc/36/38/19/432363819.db2.gz MWKKGMSYBDEXCU-ZDUSSCGKSA-N 1 0 322.428 3.243 50 0 DGAARO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000153782305 432442775 /nfs/dbraw/zinc/44/27/75/432442775.db2.gz DPXOKSOCSWNJKJ-SUMWQHHRSA-N 1 0 301.434 3.331 50 0 DGAARO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000193125003 432452924 /nfs/dbraw/zinc/45/29/24/432452924.db2.gz FAKMXCNHEZWDFT-MAUKXSAKSA-N 1 0 301.478 3.460 50 0 DGAARO Cc1cccc(C2(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)CCCC2)c1 ZINC000261833235 432455115 /nfs/dbraw/zinc/45/51/15/432455115.db2.gz LBXKDZKWFXLXTH-KRWDZBQOSA-N 1 0 314.473 3.393 50 0 DGAARO Cc1ccsc1C[N@@H+]1CCCCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257183211 432415671 /nfs/dbraw/zinc/41/56/71/432415671.db2.gz QYXNPLCRSQAXQZ-CABCVRRESA-N 1 0 306.475 3.327 50 0 DGAARO O=C(CCc1ccccc1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257194271 432416226 /nfs/dbraw/zinc/41/62/26/432416226.db2.gz SYLOOURJSBPRQS-IBGZPJMESA-N 1 0 314.473 3.344 50 0 DGAARO Cc1ccccc1NC(=O)N1CC(F)(F)C[C@H]1C[NH+]1CCCC1 ZINC000257192928 432416801 /nfs/dbraw/zinc/41/68/01/432416801.db2.gz WICMPWWYCJYDGS-AWEZNQCLSA-N 1 0 323.387 3.332 50 0 DGAARO Cc1ccc([C@@](C)(O)C[NH2+][C@@H]2CCCNc3ccccc32)o1 ZINC000192899856 432427628 /nfs/dbraw/zinc/42/76/28/432427628.db2.gz XMEFGQPCWPNWOX-AEFFLSMTSA-N 1 0 300.402 3.332 50 0 DGAARO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000154383388 432494342 /nfs/dbraw/zinc/49/43/42/432494342.db2.gz SXNLJCZDABXLFA-CYBMUJFWSA-N 1 0 324.428 3.171 50 0 DGAARO Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)on1 ZINC000195539013 432625925 /nfs/dbraw/zinc/62/59/25/432625925.db2.gz CEOWBGUVUFOUGF-GOEBONIOSA-N 1 0 304.390 3.444 50 0 DGAARO CC[N@H+](Cc1ccc2cccc(OC)c2n1)[C@@H]1CCCC[C@H]1O ZINC000215927377 432644651 /nfs/dbraw/zinc/64/46/51/432644651.db2.gz LSNHKZABOMUARM-IAGOWNOFSA-N 1 0 314.429 3.369 50 0 DGAARO OCC1(O)CC[NH+](Cc2ccc(C3CCCCC3)s2)CC1 ZINC000215835041 432645440 /nfs/dbraw/zinc/64/54/40/432645440.db2.gz VUJUZBBCPMKNQS-UHFFFAOYSA-N 1 0 309.475 3.115 50 0 DGAARO CCOC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1OC ZINC000216026113 432646493 /nfs/dbraw/zinc/64/64/93/432646493.db2.gz WLMGKJKBCMYFGG-CQSZACIVSA-N 1 0 313.825 3.358 50 0 DGAARO CC(C)c1nccc(CN(C)Cc2ccc3c(c2)C[N@@H+](C)C3)n1 ZINC000215953387 432646548 /nfs/dbraw/zinc/64/65/48/432646548.db2.gz GGFNLGGQWHWRCH-UHFFFAOYSA-N 1 0 310.445 3.177 50 0 DGAARO c1nc(CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000221761847 432669343 /nfs/dbraw/zinc/66/93/43/432669343.db2.gz JJFLPMDGVBKHKC-SZMVWBNQSA-N 1 0 313.470 3.143 50 0 DGAARO CC[N@H+](CCn1cccn1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000216405104 432649066 /nfs/dbraw/zinc/64/90/66/432649066.db2.gz HJVGRAOEIIFJQA-HNNXBMFYSA-N 1 0 305.447 3.318 50 0 DGAARO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)no1 ZINC000216279252 432649314 /nfs/dbraw/zinc/64/93/14/432649314.db2.gz JFSPITDYTOTUBT-OAHLLOKOSA-N 1 0 324.384 3.413 50 0 DGAARO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(C4CCCC4)s3)C2)O1 ZINC000216365478 432649663 /nfs/dbraw/zinc/64/96/63/432649663.db2.gz HQSBZFVPTZDTOO-QGZVFWFLSA-N 1 0 320.458 3.480 50 0 DGAARO Cc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc[nH+]1 ZINC000274337896 432654190 /nfs/dbraw/zinc/65/41/90/432654190.db2.gz HLESGGJPJSTDMI-QGZVFWFLSA-N 1 0 311.385 3.120 50 0 DGAARO CN(Cc1ccccc1)c1cc(C2CC([NH3+])C2)nc(C2CC2)n1 ZINC000219641600 432663568 /nfs/dbraw/zinc/66/35/68/432663568.db2.gz FLOVWGKELXAZQP-UHFFFAOYSA-N 1 0 308.429 3.195 50 0 DGAARO CC(C)[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000221537361 432667859 /nfs/dbraw/zinc/66/78/59/432667859.db2.gz GXKKNNXCWZVRDV-NSHDSACASA-N 1 0 307.747 3.188 50 0 DGAARO COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C[NH3+])cc3)C2)cc1 ZINC000225464646 432692778 /nfs/dbraw/zinc/69/27/78/432692778.db2.gz IJSMVGSJELPEEW-KBXCAEBGSA-N 1 0 324.424 3.172 50 0 DGAARO FCCCCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000225466093 432693036 /nfs/dbraw/zinc/69/30/36/432693036.db2.gz LINKZGZISLMGEU-UHFFFAOYSA-N 1 0 318.396 3.451 50 0 DGAARO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000225474062 432693215 /nfs/dbraw/zinc/69/32/15/432693215.db2.gz JPEWHQJNXKKCLF-KMFMINBZSA-N 1 0 309.450 3.401 50 0 DGAARO COc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c(C)c1 ZINC000226752824 432708149 /nfs/dbraw/zinc/70/81/49/432708149.db2.gz OEHIHDXWQHCODQ-QZTJIDSGSA-N 1 0 324.424 3.288 50 0 DGAARO CCC[N@@H+]1CCCN(Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000222533949 432671832 /nfs/dbraw/zinc/67/18/32/432671832.db2.gz UGRBISLUHJRDEW-UHFFFAOYSA-N 1 0 324.472 3.370 50 0 DGAARO Cc1cccc(-c2cccc(CNC(=O)C3CC[NH2+]CC3)c2)c1 ZINC000225463078 432691288 /nfs/dbraw/zinc/69/12/88/432691288.db2.gz DFSRTJMLEXDBSQ-UHFFFAOYSA-N 1 0 308.425 3.278 50 0 DGAARO Cc1ccccc1C1(C(=O)N2CC[C@H](C[NH3+])C2)CCCCC1 ZINC000178533681 432748221 /nfs/dbraw/zinc/74/82/21/432748221.db2.gz KBSDXOGERUQHJZ-MRXNPFEDSA-N 1 0 300.446 3.004 50 0 DGAARO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1C1CCCCC1 ZINC000178539336 432750440 /nfs/dbraw/zinc/75/04/40/432750440.db2.gz URHPINRXVPQNLS-OAHLLOKOSA-N 1 0 303.450 3.031 50 0 DGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000241316720 432816230 /nfs/dbraw/zinc/81/62/30/432816230.db2.gz LUIRIZKQVHZMND-OAGGEKHMSA-N 1 0 310.445 3.471 50 0 DGAARO Cc1cn2c(C[N@@H+](C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c(C)nc2s1 ZINC000241277703 432816284 /nfs/dbraw/zinc/81/62/84/432816284.db2.gz LILIQKTWVPLHGU-BPLDGKMQSA-N 1 0 319.474 3.258 50 0 DGAARO COc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000242302217 432817974 /nfs/dbraw/zinc/81/79/74/432817974.db2.gz YQNXDWQYWISASY-ZIAGYGMSSA-N 1 0 305.422 3.080 50 0 DGAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000242389682 432818070 /nfs/dbraw/zinc/81/80/70/432818070.db2.gz ZZNPBETXQKRFTD-HIFRSBDPSA-N 1 0 307.415 3.056 50 0 DGAARO Cc1csc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2C)n1 ZINC000244678611 432821649 /nfs/dbraw/zinc/82/16/49/432821649.db2.gz IGTNVLISBNOBDH-HNNXBMFYSA-N 1 0 304.463 3.401 50 0 DGAARO C[N@H+](CCC[C@H]1CCCO1)Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244734767 432822389 /nfs/dbraw/zinc/82/23/89/432822389.db2.gz NLNNFLCEFJHHJR-AWEZNQCLSA-N 1 0 322.449 3.067 50 0 DGAARO Cc1cc(NC(=O)C[N@@H+](C)C2CCSCC2)ccc1Cl ZINC000244659558 432822910 /nfs/dbraw/zinc/82/29/10/432822910.db2.gz HEVQUKUSQSEWNF-UHFFFAOYSA-N 1 0 312.866 3.414 50 0 DGAARO COc1ccccc1C1CC[NH+](Cc2snnc2C)CC1 ZINC000244707774 432822952 /nfs/dbraw/zinc/82/29/52/432822952.db2.gz KHJDPGGLSDVKDG-UHFFFAOYSA-N 1 0 303.431 3.235 50 0 DGAARO CC[C@@H]([NH2+]C1CCN(c2cccc(C)c2)CC1)[C@H]1C[C@@H](O)C1 ZINC000244899894 432823773 /nfs/dbraw/zinc/82/37/73/432823773.db2.gz ZSMRIYKGIKWZKC-AYOQOUSVSA-N 1 0 302.462 3.103 50 0 DGAARO Fc1ccc2[nH]c3c(c2c1)CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)CC3 ZINC000244773708 432824069 /nfs/dbraw/zinc/82/40/69/432824069.db2.gz PFANAXZLMOXQDQ-DZGCQCFKSA-N 1 0 313.420 3.149 50 0 DGAARO C[C@@H]1CCCN(C(=O)c2cnc(-c3ccsc3)s2)[C@H]1C[NH3+] ZINC000237451256 432788890 /nfs/dbraw/zinc/78/88/90/432788890.db2.gz FBSJVIHHLRJPTP-PWSUYJOCSA-N 1 0 321.471 3.071 50 0 DGAARO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237576845 432792815 /nfs/dbraw/zinc/79/28/15/432792815.db2.gz PQYFZMUUNMMDEF-YJBOKZPZSA-N 1 0 308.425 3.472 50 0 DGAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237684287 432796677 /nfs/dbraw/zinc/79/66/77/432796677.db2.gz CGPJCSAOZRHJOX-OAHLLOKOSA-N 1 0 320.314 3.358 50 0 DGAARO Cc1cc(Cl)ccc1NC(=O)NCC12CCC[NH+]1CCC2 ZINC000299779887 433380885 /nfs/dbraw/zinc/38/08/85/433380885.db2.gz IXYQDMJZKNKAOQ-UHFFFAOYSA-N 1 0 307.825 3.398 50 0 DGAARO O=C(C[NH+]1CCCCCC1)N[C@H](c1ccccc1)c1ccncc1 ZINC000299787641 433385041 /nfs/dbraw/zinc/38/50/41/433385041.db2.gz XXPUDRPHASHFRL-HXUWFJFHSA-N 1 0 323.440 3.163 50 0 DGAARO C[C@@H](C(=O)Nc1ccc(F)cc1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000299793767 433388002 /nfs/dbraw/zinc/38/80/02/433388002.db2.gz JASMGWHWTKEYAX-AWEZNQCLSA-N 1 0 320.408 3.045 50 0 DGAARO COc1cccc([C@@H](O)C(C)(C)[NH2+]CCc2ccccc2F)c1 ZINC000299803856 433390261 /nfs/dbraw/zinc/39/02/61/433390261.db2.gz HQWXWWRUQBHNFM-GOSISDBHSA-N 1 0 317.404 3.479 50 0 DGAARO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c(C)c1 ZINC000426383135 433480827 /nfs/dbraw/zinc/48/08/27/433480827.db2.gz MHYBAOIQKZBBIY-GBESFXJTSA-N 1 0 319.445 3.162 50 0 DGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CCC(c2ccccc2)CC1 ZINC000426582797 433536246 /nfs/dbraw/zinc/53/62/46/433536246.db2.gz JJSVECFOMOEORA-GOSISDBHSA-N 1 0 315.461 3.060 50 0 DGAARO CON1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000421391721 433538079 /nfs/dbraw/zinc/53/80/79/433538079.db2.gz AXOMXXPKVJFARS-UHFFFAOYSA-N 1 0 320.767 3.057 50 0 DGAARO Cc1cc2[nH]c(C[NH2+]C[C@@H](CO)c3cccnc3)cc2c(C)c1 ZINC000342307762 433605243 /nfs/dbraw/zinc/60/52/43/433605243.db2.gz SDPIYXOLCCSSBX-INIZCTEOSA-N 1 0 309.413 3.045 50 0 DGAARO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000414525225 433687335 /nfs/dbraw/zinc/68/73/35/433687335.db2.gz ITHKCIFGPXWUIH-FYSWROEESA-N 1 0 311.429 3.191 50 0 DGAARO Cc1ccccc1C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)C1CC1 ZINC000284329855 433885595 /nfs/dbraw/zinc/88/55/95/433885595.db2.gz MFSPRAVYFMWVMQ-LJQANCHMSA-N 1 0 308.425 3.205 50 0 DGAARO Clc1ccccc1C1(C[NH2+]C2CCOCC2)CCOCC1 ZINC000089552020 294114272 /nfs/dbraw/zinc/11/42/72/294114272.db2.gz OSIIJUNTAJXGAE-UHFFFAOYSA-N 1 0 309.837 3.157 50 0 DGAARO CSc1ccccc1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000390832988 434372357 /nfs/dbraw/zinc/37/23/57/434372357.db2.gz AESMSNNQESXUHY-UHFFFAOYSA-N 1 0 320.502 3.376 50 0 DGAARO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccsc1)CCCO2 ZINC000095968292 295271930 /nfs/dbraw/zinc/27/19/30/295271930.db2.gz ZOHKSHNINHQTOI-HOTGVXAUSA-N 1 0 319.426 3.294 50 0 DGAARO CC1([C@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)OCCO1 ZINC000408525490 434587177 /nfs/dbraw/zinc/58/71/77/434587177.db2.gz HJTXXHHXNCOVSX-ZDUSSCGKSA-N 1 0 318.442 3.271 50 0 DGAARO C[NH+](C)CCN(Cc1ccc(Cl)c(F)c1)C[C@H]1CCCO1 ZINC000349062682 434595560 /nfs/dbraw/zinc/59/55/60/434595560.db2.gz NHXAICRYECVOFH-CQSZACIVSA-N 1 0 314.832 3.022 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCCCO1 ZINC000585123278 435292757 /nfs/dbraw/zinc/29/27/57/435292757.db2.gz VLVBGPLADPKEBP-AAEUAGOBSA-N 1 0 318.339 3.070 50 0 DGAARO Cc1ccc([C@]2(O)C[n+]3ccccc3N2c2ccccc2)cc1 ZINC000025759267 301847528 /nfs/dbraw/zinc/84/75/28/301847528.db2.gz BATRVFXDUHRDJJ-HXUWFJFHSA-N 1 0 303.385 3.280 50 0 DGAARO OC[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(C(F)(F)F)cc1 ZINC000097371078 323210434 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DGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cnc(C2CC2)nc1 ZINC000828200090 1091818659 /nfs/dbraw/zinc/81/86/59/1091818659.db2.gz YDHRCPXVBXROOC-UHFFFAOYSA-N 1 0 322.412 3.202 50 0 DGAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000575550645 1092046898 /nfs/dbraw/zinc/04/68/98/1092046898.db2.gz XFXCMSAKXYHMMD-MRXNPFEDSA-N 1 0 320.396 3.135 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000575547449 1092048850 /nfs/dbraw/zinc/04/88/50/1092048850.db2.gz CMIPAFDDNUHUHD-AWEZNQCLSA-N 1 0 313.401 3.214 50 0 DGAARO CCCNC(=O)N1CCC(Cn2c(C)c[nH+]c2C2CCC2)CC1 ZINC000581808424 1092280008 /nfs/dbraw/zinc/28/00/08/1092280008.db2.gz RKSXQESWOWVNBT-UHFFFAOYSA-N 1 0 318.465 3.291 50 0 DGAARO Cc1ccc(C)c(CN2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000952882683 1096786537 /nfs/dbraw/zinc/78/65/37/1096786537.db2.gz OFCXGCLDEBBIHP-UHFFFAOYSA-N 1 0 302.462 3.036 50 0 DGAARO Fc1ccc(CN2CCC(c3ccnc(Cl)n3)CC2)nc1 ZINC000952884307 1096787551 /nfs/dbraw/zinc/78/75/51/1096787551.db2.gz 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180932387 /nfs/dbraw/zinc/93/23/87/180932387.db2.gz NHGDGANPIYJHPR-OAHLLOKOSA-N 1 0 315.335 3.181 50 0 DGAARO CC(C)[C@@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000002580999 180937334 /nfs/dbraw/zinc/93/73/34/180937334.db2.gz SZXQJQQYDXXTEK-QGZVFWFLSA-N 1 0 304.434 3.375 50 0 DGAARO CCC[NH+]1CCC(Cc2noc([C@H]3CCOC(C)(C)C3)n2)CC1 ZINC000067688685 432035034 /nfs/dbraw/zinc/03/50/34/432035034.db2.gz XJPAZNBHFHGRRW-HNNXBMFYSA-N 1 0 321.465 3.407 50 0 DGAARO CC[C@H]1c2[nH]cnc2CC[N@H+]1Cc1cc(C)ccc1-n1cccn1 ZINC000067696824 432036267 /nfs/dbraw/zinc/03/62/67/432036267.db2.gz LCVOJBVQTIBJTR-KRWDZBQOSA-N 1 0 321.428 3.413 50 0 DGAARO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000003453939 181022031 /nfs/dbraw/zinc/02/20/31/181022031.db2.gz HEUVAIYAUWFMBK-INIZCTEOSA-N 1 0 310.441 3.386 50 0 DGAARO COCC[NH2+]CCCCOc1ccc(C)cc1Br ZINC000003461296 181023618 /nfs/dbraw/zinc/02/36/18/181023618.db2.gz PIAJJKFTAOVSFX-UHFFFAOYSA-N 1 0 316.239 3.153 50 0 DGAARO COCC[NH2+]CCCCOc1ccc(Br)cc1C 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Cc1cccn2c(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)cnc12 ZINC000067771329 432038721 /nfs/dbraw/zinc/03/87/21/432038721.db2.gz FRCZYIKAPJVMBV-GOSISDBHSA-N 1 0 320.440 3.007 50 0 DGAARO Cc1ccc([C@]2(C)N(O)[C@H](C)C(c3cccs3)[N+]2=O)cc1 ZINC000004314974 181096459 /nfs/dbraw/zinc/09/64/59/181096459.db2.gz HALJAKZAVQRPQP-MLGOLLRUSA-N 1 0 302.399 3.322 50 0 DGAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000004552718 181123582 /nfs/dbraw/zinc/12/35/82/181123582.db2.gz STRPZTQXFQFZMJ-UHFFFAOYSA-N 1 0 318.461 3.166 50 0 DGAARO O=C1C[C@@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000004577124 181126833 /nfs/dbraw/zinc/12/68/33/181126833.db2.gz CSTTZOUIEVPYSR-OAHLLOKOSA-N 1 0 320.820 3.142 50 0 DGAARO COc1ccc(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000004744630 181146111 /nfs/dbraw/zinc/14/61/11/181146111.db2.gz SWWAYZZLBLKRTF-KBPBESRZSA-N 1 0 320.433 3.010 50 0 DGAARO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004725479 181143043 /nfs/dbraw/zinc/14/30/43/181143043.db2.gz 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C[C@H]1C[C@@H](C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000170592993 432073226 /nfs/dbraw/zinc/07/32/26/432073226.db2.gz YSNNVNTUESHIOR-RDJZCZTQSA-N 1 0 322.880 3.273 50 0 DGAARO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000179468142 199041040 /nfs/dbraw/zinc/04/10/40/199041040.db2.gz WYVGUWIUZDIBKF-HNNXBMFYSA-N 1 0 311.429 3.410 50 0 DGAARO COc1ccc2sc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)c(C)c2c1 ZINC000237325855 202232289 /nfs/dbraw/zinc/23/22/89/202232289.db2.gz QFOBWZDWQFZDSS-JQWIXIFHSA-N 1 0 318.442 3.170 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 ZINC000237408991 202257493 /nfs/dbraw/zinc/25/74/93/202257493.db2.gz LAOXSIIRSGRTLL-KBPBESRZSA-N 1 0 324.852 3.085 50 0 DGAARO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F ZINC000180885389 199224425 /nfs/dbraw/zinc/22/44/25/199224425.db2.gz CPZSNSDNYQBBFN-OLZOCXBDSA-N 1 0 318.314 3.030 50 0 DGAARO C[C@@H]([NH2+]CCc1ccccc1F)c1ccc2c(c1)NC(=O)CO2 ZINC000237429173 202263456 /nfs/dbraw/zinc/26/34/56/202263456.db2.gz PHPWRTWEJQJLTA-GFCCVEGCSA-N 1 0 314.360 3.050 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237434072 202264237 /nfs/dbraw/zinc/26/42/37/202264237.db2.gz LMGODGVIRHFSGI-SRMUXQRQSA-N 1 0 306.837 3.172 50 0 DGAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)Cc1ccccc1F ZINC000188132283 200198270 /nfs/dbraw/zinc/19/82/70/200198270.db2.gz XDYBWMIUYANVBC-WFASDCNBSA-N 1 0 302.397 3.035 50 0 DGAARO Cc1csc(Sc2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000237652184 202318771 /nfs/dbraw/zinc/31/87/71/202318771.db2.gz UYZBITSFNXHVCZ-LLVKDONJSA-N 1 0 319.455 3.151 50 0 DGAARO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)sc1-c1ccc(F)cc1 ZINC000237709009 202335696 /nfs/dbraw/zinc/33/56/96/202335696.db2.gz BYSOEVIZMMFPAJ-ZDUSSCGKSA-N 1 0 304.390 3.036 50 0 DGAARO O=C(Nc1cccc(Cl)c1SCC(F)F)[C@H]1CC[NH2+]C1 ZINC000237788696 202356148 /nfs/dbraw/zinc/35/61/48/202356148.db2.gz IIUYETGMSPTYIV-QMMMGPOBSA-N 1 0 320.792 3.245 50 0 DGAARO O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000237893084 202382073 /nfs/dbraw/zinc/38/20/73/202382073.db2.gz BVAQKXYUOSEDTN-INIZCTEOSA-N 1 0 320.864 3.263 50 0 DGAARO OC1(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CCOCC1 ZINC000238141533 202444470 /nfs/dbraw/zinc/44/44/70/202444470.db2.gz NVDUZXCJGZSSMK-UHFFFAOYSA-N 1 0 321.417 3.185 50 0 DGAARO [NH3+]C[C@H]1Cc2cc(-c3nccc4occc43)cc(Cl)c2O1 ZINC000067846893 283524703 /nfs/dbraw/zinc/52/47/03/283524703.db2.gz IUJCUTVRZVGNOU-LLVKDONJSA-N 1 0 300.745 3.410 50 0 DGAARO O=C1OCCN1c1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000193278606 201018730 /nfs/dbraw/zinc/01/87/30/201018730.db2.gz ODOSTZHHXZSMFK-INIZCTEOSA-N 1 0 312.369 3.403 50 0 DGAARO CCc1cc2c(C[N@@H+]3CCCC[C@H]3C)cc(=O)oc2cc1O ZINC000006610450 181360657 /nfs/dbraw/zinc/36/06/57/181360657.db2.gz NYQUFHHQFHQQFY-GFCCVEGCSA-N 1 0 301.386 3.435 50 0 DGAARO O=C(Nc1cccc(F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000006699123 181371977 /nfs/dbraw/zinc/37/19/77/181371977.db2.gz YOCAVNOVARTNHJ-UHFFFAOYSA-N 1 0 305.397 3.308 50 0 DGAARO COCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000006701474 181373366 /nfs/dbraw/zinc/37/33/66/181373366.db2.gz KOCUISXZWKLJFQ-UHFFFAOYSA-N 1 0 319.376 3.149 50 0 DGAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCc2ccccc2C1 ZINC000091551931 193072900 /nfs/dbraw/zinc/07/29/00/193072900.db2.gz LQZQXONCBAZJAR-SFHVURJKSA-N 1 0 324.424 3.077 50 0 DGAARO C[C@H](c1ccccc1Cl)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091691378 193092583 /nfs/dbraw/zinc/09/25/83/193092583.db2.gz ACLWJFHMYDINPQ-CYBMUJFWSA-N 1 0 306.837 3.393 50 0 DGAARO CC(C)=CCN1CC2(CC1=O)CCN(c1cc[nH+]c(C)c1)CC2 ZINC000091793012 193109234 /nfs/dbraw/zinc/10/92/34/193109234.db2.gz CUUTWOIZZIXREF-UHFFFAOYSA-N 1 0 313.445 3.175 50 0 DGAARO c1ccc(CC[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1 ZINC000092003696 193139310 /nfs/dbraw/zinc/13/93/10/193139310.db2.gz JKEYYGNGUSMVOK-LEWJYISDSA-N 1 0 321.468 3.221 50 0 DGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)C1 ZINC000092078439 193154047 /nfs/dbraw/zinc/15/40/47/193154047.db2.gz NRNFIYWWTPMXAO-SFHVURJKSA-N 1 0 324.472 3.111 50 0 DGAARO O=C(Cc1cccc(O)c1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092139668 193167843 /nfs/dbraw/zinc/16/78/43/193167843.db2.gz YZIAZNSXLUTVDZ-UHFFFAOYSA-N 1 0 324.424 3.212 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)N1CCCCC1 ZINC000069381976 299380275 /nfs/dbraw/zinc/38/02/75/299380275.db2.gz QHTXAIRQYMWABB-RWMBFGLXSA-N 1 0 306.372 3.098 50 0 DGAARO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCCN1c1cccnc1 ZINC000221803302 201593947 /nfs/dbraw/zinc/59/39/47/201593947.db2.gz UOYFBCXMVHFOEX-JFIYKMOQSA-N 1 0 313.445 3.135 50 0 DGAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000221901339 201596896 /nfs/dbraw/zinc/59/68/96/201596896.db2.gz FAYLTKUUACFVBH-HKHONHPRSA-N 1 0 311.466 3.426 50 0 DGAARO Fc1ccc(/C=C/C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000093011954 193193342 /nfs/dbraw/zinc/19/33/42/193193342.db2.gz BASBQOJTUQHKLP-RTLBZRNLSA-N 1 0 318.436 3.026 50 0 DGAARO COc1cc(C[NH+]2C[C@@H]3CC=CC[C@H]3C2)cc(OC)c1OC ZINC000093590726 193271928 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CCO[C@H](C)c1nc(CN2CCC([NH2+]C(C)C)CC2)cs1 ZINC000096413228 193626404 /nfs/dbraw/zinc/62/64/04/193626404.db2.gz VHDLFKFAASPQAG-CYBMUJFWSA-N 1 0 311.495 3.203 50 0 DGAARO CCSC1(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CCOCC1 ZINC000096478235 193663153 /nfs/dbraw/zinc/66/31/53/193663153.db2.gz OKKAIPBMTLCANZ-AWEZNQCLSA-N 1 0 311.495 3.417 50 0 DGAARO C[C@@H]([NH2+]C1CCN(C(=O)C2CCCCC2)CC1)c1nccs1 ZINC000096490285 193668022 /nfs/dbraw/zinc/66/80/22/193668022.db2.gz NUQNVLPEALZUOC-CYBMUJFWSA-N 1 0 321.490 3.365 50 0 DGAARO COc1ccc(-c2csc(NCCC[NH+](C)C)n2)c(OC)c1 ZINC000008327820 181549044 /nfs/dbraw/zinc/54/90/44/181549044.db2.gz DBOMUKRYXOHZDG-UHFFFAOYSA-N 1 0 321.446 3.191 50 0 DGAARO Cc1ccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccncc2)cc1 ZINC000011790505 181705706 /nfs/dbraw/zinc/70/57/06/181705706.db2.gz RERSXSREJBGZMG-IBGZPJMESA-N 1 0 323.440 3.061 50 0 DGAARO Cc1ccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2)o1 ZINC000012040366 181725111 /nfs/dbraw/zinc/72/51/11/181725111.db2.gz HXOVNUZUPKFNKQ-KRWDZBQOSA-N 1 0 312.413 3.259 50 0 DGAARO [NH3+]CCCSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000012606453 181782192 /nfs/dbraw/zinc/78/21/92/181782192.db2.gz QDTGTQQUJFRWGI-UHFFFAOYSA-N 1 0 316.455 3.437 50 0 DGAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccc2c(c1)OCO2 ZINC000016351979 182041835 /nfs/dbraw/zinc/04/18/35/182041835.db2.gz JPJTWTAYWXMANA-UHFFFAOYSA-N 1 0 321.380 3.233 50 0 DGAARO Cc1ccc(Cl)c(OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000016604661 182052203 /nfs/dbraw/zinc/05/22/03/182052203.db2.gz OXGCBLYEYREVMK-UHFFFAOYSA-N 1 0 324.852 3.016 50 0 DGAARO O=C(NCC[NH+]1CCCCC1)c1c(Cl)cccc1Cl ZINC000016603435 182052292 /nfs/dbraw/zinc/05/22/92/182052292.db2.gz WJJNKNVCGZWHMQ-UHFFFAOYSA-N 1 0 301.217 3.209 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000016604503 182052477 /nfs/dbraw/zinc/05/24/77/182052477.db2.gz NTBALBWVZMOSPK-CYBMUJFWSA-N 1 0 320.502 3.477 50 0 DGAARO OCCC[NH2+]Cc1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000019223542 182108305 /nfs/dbraw/zinc/10/83/05/182108305.db2.gz 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/nfs/dbraw/zinc/22/17/34/182221734.db2.gz FRSODWUTBVRSNE-KRWDZBQOSA-N 1 0 300.377 3.270 50 0 DGAARO CC[C@H](C)NC(=O)N1CCC(C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000021718312 182285432 /nfs/dbraw/zinc/28/54/32/182285432.db2.gz MFPSSODEZJRVRA-OAGGEKHMSA-N 1 0 309.498 3.184 50 0 DGAARO C[N@H+](CCNc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000021629774 182281414 /nfs/dbraw/zinc/28/14/14/182281414.db2.gz NDHFYVOUFUZYLJ-UHFFFAOYSA-N 1 0 308.385 3.281 50 0 DGAARO Cc1ccc(C)c(OCCCCC[NH+]2CCN(C)CC2)c1C ZINC000022171321 182311910 /nfs/dbraw/zinc/31/19/10/182311910.db2.gz FWKYLXKZDYCIBT-UHFFFAOYSA-N 1 0 304.478 3.408 50 0 DGAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)C1CCCCC1 ZINC000023016604 182344676 /nfs/dbraw/zinc/34/46/76/182344676.db2.gz MZCLTEYRQWMVOM-UHFFFAOYSA-N 1 0 304.434 3.188 50 0 DGAARO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000022772052 182334072 /nfs/dbraw/zinc/33/40/72/182334072.db2.gz NUWUSUUJWDQAKT-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1)c1ccsc1 ZINC000022766859 182334178 /nfs/dbraw/zinc/33/41/78/182334178.db2.gz SKXCHUCDPPPRDB-CQSZACIVSA-N 1 0 307.394 3.312 50 0 DGAARO OCC1CCN([C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000022852401 182337808 /nfs/dbraw/zinc/33/78/08/182337808.db2.gz XUWVHAUVVJWNBY-IBGZPJMESA-N 1 0 308.510 3.126 50 0 DGAARO OCC[C@H]1C[N@H+](CC2CCCCC2)CCN1Cc1ccccc1 ZINC000022852493 182338092 /nfs/dbraw/zinc/33/80/92/182338092.db2.gz ZLMIRDVHICHCSB-FQEVSTJZSA-N 1 0 316.489 3.136 50 0 DGAARO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)cc1 ZINC000023282352 182355371 /nfs/dbraw/zinc/35/53/71/182355371.db2.gz KAUZRGVWVDOYSC-CQSZACIVSA-N 1 0 315.413 3.433 50 0 DGAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccccc1F ZINC000023128011 182349400 /nfs/dbraw/zinc/34/94/00/182349400.db2.gz SAOPQZTVPDVNEB-UHFFFAOYSA-N 1 0 316.376 3.061 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000023133409 182350271 /nfs/dbraw/zinc/35/02/71/182350271.db2.gz OOMJFMXGJZTDBJ-CYBMUJFWSA-N 1 0 321.446 3.201 50 0 DGAARO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000023701324 182366698 /nfs/dbraw/zinc/36/66/98/182366698.db2.gz XYQYHMMLYHMMLX-OAHLLOKOSA-N 1 0 300.427 3.356 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccs1 ZINC000024115200 182375957 /nfs/dbraw/zinc/37/59/57/182375957.db2.gz OWRFRWKPXBRKHC-UHFFFAOYSA-N 1 0 300.427 3.274 50 0 DGAARO COc1ccc([C@H](CNc2ncnc3ccccc32)[NH+](C)C)cc1 ZINC000024340238 182379039 /nfs/dbraw/zinc/37/90/39/182379039.db2.gz CGIUKUZBNGZGHD-SFHVURJKSA-N 1 0 322.412 3.353 50 0 DGAARO C[NH+](C)C1(CNC(=O)COc2ccccc2Cl)CCCCC1 ZINC000027579786 182481192 /nfs/dbraw/zinc/48/11/92/182481192.db2.gz FGHSFWSSSPTHPM-UHFFFAOYSA-N 1 0 324.852 3.100 50 0 DGAARO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CCCC1 ZINC000151432195 284563381 /nfs/dbraw/zinc/56/33/81/284563381.db2.gz YANXSLGJGQNLCR-HNNXBMFYSA-N 1 0 300.446 3.477 50 0 DGAARO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(SC(F)F)cc1 ZINC000040039572 183029314 /nfs/dbraw/zinc/02/93/14/183029314.db2.gz AWEXHDNMMCTKEL-UHFFFAOYSA-N 1 0 316.417 3.319 50 0 DGAARO Cc1[nH]c2ccccc2c1CC(=O)NCCC[NH+]1CCCCC1 ZINC000040070165 183030859 /nfs/dbraw/zinc/03/08/59/183030859.db2.gz IWEKDZYFYUUSRQ-UHFFFAOYSA-N 1 0 313.445 3.011 50 0 DGAARO c1cc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)cs1 ZINC000039362754 183017379 /nfs/dbraw/zinc/01/73/79/183017379.db2.gz HOOWFVRDJYVOMX-GOSISDBHSA-N 1 0 312.482 3.470 50 0 DGAARO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000040073508 183031503 /nfs/dbraw/zinc/03/15/03/183031503.db2.gz YCDPVSMUTPSUAE-UHFFFAOYSA-N 1 0 318.461 3.326 50 0 DGAARO CCN(C(=O)C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1)C1CC1 ZINC000040120226 183037954 /nfs/dbraw/zinc/03/79/54/183037954.db2.gz CWCBFRXLZYJQLZ-HNNXBMFYSA-N 1 0 300.446 3.298 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC000040488443 183078139 /nfs/dbraw/zinc/07/81/39/183078139.db2.gz OCDIGQHXGRPFDQ-INIZCTEOSA-N 1 0 318.461 3.061 50 0 DGAARO Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000136226627 432149802 /nfs/dbraw/zinc/14/98/02/432149802.db2.gz URKBEPNAIQSCJM-GDBMZVCRSA-N 1 0 306.837 3.139 50 0 DGAARO COc1cccc([C@@H](CNC(=O)/C=C\c2ccccc2)[NH+](C)C)c1 ZINC000041800115 183220811 /nfs/dbraw/zinc/22/08/11/183220811.db2.gz GTXZTJKYPIHWTQ-SYGIOELKSA-N 1 0 324.424 3.128 50 0 DGAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3sccc3C2)o1 ZINC000041865893 183222897 /nfs/dbraw/zinc/22/28/97/183222897.db2.gz TVEPBANUJYJRAO-UHFFFAOYSA-N 1 0 318.442 3.381 50 0 DGAARO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000042127315 183233960 /nfs/dbraw/zinc/23/39/60/183233960.db2.gz QHHLMPVFKPEIOW-QGZVFWFLSA-N 1 0 312.457 3.432 50 0 DGAARO COc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770172 183306808 /nfs/dbraw/zinc/30/68/08/183306808.db2.gz NYTCDZGWYCOUGV-NSHDSACASA-N 1 0 314.223 3.226 50 0 DGAARO Cc1noc(C)c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042634753 183292540 /nfs/dbraw/zinc/29/25/40/183292540.db2.gz DTMBQJDCYHVTLC-SFHVURJKSA-N 1 0 300.402 3.237 50 0 DGAARO CCn1nc(C)c2c1nc1ccccc1c2NCCC[NH+](C)C ZINC000043190949 183343347 /nfs/dbraw/zinc/34/33/47/183343347.db2.gz PDQQLORMCACYHQ-UHFFFAOYSA-N 1 0 311.433 3.276 50 0 DGAARO CC[NH+](CC)C[C@H](NC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000024923737 284726665 /nfs/dbraw/zinc/72/66/65/284726665.db2.gz SEZSIELNDSWILG-HNNXBMFYSA-N 1 0 316.405 3.188 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCc2ccccc2)C1 ZINC000047416250 183590848 /nfs/dbraw/zinc/59/08/48/183590848.db2.gz PVDZAGUHQXXYCC-IRXDYDNUSA-N 1 0 302.462 3.103 50 0 DGAARO C[C@H]1c2cccn2CC[N@H+]1C[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000106131840 194187286 /nfs/dbraw/zinc/18/72/86/194187286.db2.gz BFLXVDJODAYUEX-BLLLJJGKSA-N 1 0 322.355 3.200 50 0 DGAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)SCc2ccccc2)C1 ZINC000106155681 194188830 /nfs/dbraw/zinc/18/88/30/194188830.db2.gz DNZVXGONVCXJPT-RDJZCZTQSA-N 1 0 320.502 3.155 50 0 DGAARO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccccc1 ZINC000106529560 194224964 /nfs/dbraw/zinc/22/49/64/194224964.db2.gz BTMDDCNPVWZPLY-KBPBESRZSA-N 1 0 310.388 3.015 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)c2sccc2-n2cccc2)CC1 ZINC000048374166 183653272 /nfs/dbraw/zinc/65/32/72/183653272.db2.gz ASTPBTHYQTWWKL-UHFFFAOYSA-N 1 0 317.458 3.141 50 0 DGAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000048711653 183682029 /nfs/dbraw/zinc/68/20/29/183682029.db2.gz RZQSWFGLYITRRT-QGZVFWFLSA-N 1 0 319.412 3.044 50 0 DGAARO COc1ccc2c(C[N@H+](C)Cc3cccs3)cc(=O)oc2c1 ZINC000057024640 184024808 /nfs/dbraw/zinc/02/48/08/184024808.db2.gz ZUHWFQKXPADJFU-UHFFFAOYSA-N 1 0 315.394 3.495 50 0 DGAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1occc1-c1ccccc1 ZINC000058106521 184075373 /nfs/dbraw/zinc/07/53/73/184075373.db2.gz HLRFBKMSNAJGRD-AWEZNQCLSA-N 1 0 310.397 3.161 50 0 DGAARO C[C@H](CNC(=O)Cc1ccccc1Cl)[NH+]1CCC(C)CC1 ZINC000058004616 184066313 /nfs/dbraw/zinc/06/63/13/184066313.db2.gz OZEBRUYZKQGBGT-CQSZACIVSA-N 1 0 308.853 3.119 50 0 DGAARO C[C@H]1CCc2sc(C(=O)NCCC3CC[NH+](C)CC3)cc2C1 ZINC000058163746 184083425 /nfs/dbraw/zinc/08/34/25/184083425.db2.gz ZZCVAGLQAQTEII-ZDUSSCGKSA-N 1 0 320.502 3.335 50 0 DGAARO Cc1ccc(/C=C/C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000058168961 184083915 /nfs/dbraw/zinc/08/39/15/184083915.db2.gz GGZQLFOEYXHLSG-ATWMFIQVSA-N 1 0 304.434 3.228 50 0 DGAARO C[NH+](C)Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 ZINC000058202346 184087434 /nfs/dbraw/zinc/08/74/34/184087434.db2.gz QQAGYYOBWANOHA-UHFFFAOYSA-N 1 0 323.440 3.016 50 0 DGAARO Cc1ccc(C[N@H+](C[C@H](O)c2ccc3c(c2)OCO3)C2CC2)o1 ZINC000058202609 184087747 /nfs/dbraw/zinc/08/77/47/184087747.db2.gz COFMQYMDCNMOPT-INIZCTEOSA-N 1 0 315.369 3.015 50 0 DGAARO CCO[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000058278465 184098254 /nfs/dbraw/zinc/09/82/54/184098254.db2.gz JXTIZJLFCIMKPE-INIZCTEOSA-N 1 0 318.461 3.104 50 0 DGAARO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccco1 ZINC000058282745 184099977 /nfs/dbraw/zinc/09/99/77/184099977.db2.gz OWLCUZYZILHKPT-UHFFFAOYSA-N 1 0 302.399 3.081 50 0 DGAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCCc2ccccc2)C1 ZINC000058316179 184104748 /nfs/dbraw/zinc/10/47/48/184104748.db2.gz IUIGHGUIEIGTOG-GOSISDBHSA-N 1 0 302.462 3.246 50 0 DGAARO CCOc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)no2)c1 ZINC000058332158 184106848 /nfs/dbraw/zinc/10/68/48/184106848.db2.gz ZSDPQGCGOFONIW-QWHCGFSZSA-N 1 0 317.389 3.060 50 0 DGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](c1cccs1)C(C)C ZINC000058394072 184112574 /nfs/dbraw/zinc/11/25/74/184112574.db2.gz AUEWRWQDQCBATJ-HNNXBMFYSA-N 1 0 306.479 3.343 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)c1cc(F)ccc1F ZINC000060359545 184147303 /nfs/dbraw/zinc/14/73/03/184147303.db2.gz FKCBHFKWZVAHJQ-CQSZACIVSA-N 1 0 322.399 3.492 50 0 DGAARO COCc1ccc(C[NH2+]Cc2c(C)nc3sc(C)cn23)cc1 ZINC000059578613 184139388 /nfs/dbraw/zinc/13/93/88/184139388.db2.gz PSMDEUBTCVJWCQ-UHFFFAOYSA-N 1 0 315.442 3.449 50 0 DGAARO C[C@@H]1C[C@@H]1[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000269058836 207208434 /nfs/dbraw/zinc/20/84/34/207208434.db2.gz IIWOWZKZJSOWHK-XFBWCDHKSA-N 1 0 306.837 3.153 50 0 DGAARO C/C(=C/C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000061567441 184175254 /nfs/dbraw/zinc/17/52/54/184175254.db2.gz OBUJGFQPYIFXEP-KAMYIIQDSA-N 1 0 318.486 3.433 50 0 DGAARO O=C(c1cc(Cl)ccc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062976603 184264534 /nfs/dbraw/zinc/26/45/34/184264534.db2.gz METKBJNGLYVYKJ-ZDUSSCGKSA-N 1 0 310.800 3.180 50 0 DGAARO CNc1ncccc1CN(CC[NH+](C)C)Cc1sccc1C ZINC000063855709 184289577 /nfs/dbraw/zinc/28/95/77/184289577.db2.gz ZYXZPHOVEOEILD-UHFFFAOYSA-N 1 0 318.490 3.057 50 0 DGAARO c1coc(C[N@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)c1 ZINC000065287774 184322485 /nfs/dbraw/zinc/32/24/85/184322485.db2.gz FAZGIFFNQNOCMX-QGZVFWFLSA-N 1 0 322.412 3.299 50 0 DGAARO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC000065371176 184330000 /nfs/dbraw/zinc/33/00/00/184330000.db2.gz OLSGXVSVHYKSDA-STQMWFEESA-N 1 0 303.406 3.483 50 0 DGAARO C[C@H](c1cccc(-c2nc(C(N)=O)cs2)c1)[NH+]1CCCC1 ZINC000065373513 184330817 /nfs/dbraw/zinc/33/08/17/184330817.db2.gz JPJKJFXRFOXPGA-LLVKDONJSA-N 1 0 301.415 3.066 50 0 DGAARO CCn1nc(C)c(C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)c1C ZINC000065461647 184349049 /nfs/dbraw/zinc/34/90/49/184349049.db2.gz AYPBVRUZVZTASV-QGZVFWFLSA-N 1 0 313.445 3.176 50 0 DGAARO c1cn(C[C@H]([NH2+]C2Cc3ccccc3C2)c2ccccc2)cn1 ZINC000065397805 184335643 /nfs/dbraw/zinc/33/56/43/184335643.db2.gz RRHHJSQQAQCHBC-FQEVSTJZSA-N 1 0 303.409 3.381 50 0 DGAARO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065398680 184336344 /nfs/dbraw/zinc/33/63/44/184336344.db2.gz ZUWCXIUERSNECN-AZUAARDMSA-N 1 0 321.424 3.222 50 0 DGAARO O=C(C1CCC1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065621960 184375066 /nfs/dbraw/zinc/37/50/66/184375066.db2.gz SZCARAWXDWVJCR-OALUTQOASA-N 1 0 312.457 3.442 50 0 DGAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccccc1 ZINC000065674856 184376628 /nfs/dbraw/zinc/37/66/28/184376628.db2.gz BTMDDCNPVWZPLY-KGLIPLIRSA-N 1 0 310.388 3.015 50 0 DGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000269240922 207372540 /nfs/dbraw/zinc/37/25/40/207372540.db2.gz CLVSGJFMGOUIAE-RKDXNWHRSA-N 1 0 319.207 3.332 50 0 DGAARO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000120097612 195095494 /nfs/dbraw/zinc/09/54/94/195095494.db2.gz GVNXWJZLZUIDGY-HNNXBMFYSA-N 1 0 319.424 3.474 50 0 DGAARO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157082049 197160704 /nfs/dbraw/zinc/16/07/04/197160704.db2.gz MJIDOPGSCFHDMD-ZDUSSCGKSA-N 1 0 319.449 3.058 50 0 DGAARO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc3nc[nH]c(=O)c3n2)c1 ZINC000521398601 257234622 /nfs/dbraw/zinc/23/46/22/257234622.db2.gz TWNZUYWFJKNRIK-ZDUSSCGKSA-N 1 0 320.396 3.382 50 0 DGAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000317314252 257236817 /nfs/dbraw/zinc/23/68/17/257236817.db2.gz YSBFECSSSMMMMD-SUMWQHHRSA-N 1 0 302.418 3.397 50 0 DGAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000237515424 257238282 /nfs/dbraw/zinc/23/82/82/257238282.db2.gz RZRRUXZCAVOBOP-YUMQZZPRSA-N 1 0 305.180 3.084 50 0 DGAARO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000237501111 257238399 /nfs/dbraw/zinc/23/83/99/257238399.db2.gz BLMUKETVDQKDRS-MFKMUULPSA-N 1 0 307.463 3.061 50 0 DGAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)sc2cccc(F)c12 ZINC000237531527 257238624 /nfs/dbraw/zinc/23/86/24/257238624.db2.gz AXUAZTCAPVNRMI-ONGXEEELSA-N 1 0 306.406 3.301 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000237466501 257239507 /nfs/dbraw/zinc/23/95/07/257239507.db2.gz BDRKUQDTXWTBML-LTDKPHRXSA-N 1 0 300.446 3.299 50 0 DGAARO CC(C)OCCCNc1ncnc2c1cnn2-c1ccccc1 ZINC000002367768 257254229 /nfs/dbraw/zinc/25/42/29/257254229.db2.gz MOSZDNKNHYZIFJ-UHFFFAOYSA-N 1 0 311.389 3.043 50 0 DGAARO CCOCCN1CC[N@@H+]([C@H](C)CCc2ccccc2)C[C@H]1C ZINC000240569337 257259768 /nfs/dbraw/zinc/25/97/68/257259768.db2.gz GZSUCVASCKHUNC-QZTJIDSGSA-N 1 0 304.478 3.050 50 0 DGAARO Cn1ncnc1CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000075105130 257271233 /nfs/dbraw/zinc/27/12/33/257271233.db2.gz DHTOKTWFTIQHFK-UHFFFAOYSA-N 1 0 313.449 3.192 50 0 DGAARO O[C@H](C[C@@H]1CCC[N@@H+]1CCN1CCCCC1)c1ccccc1 ZINC000076107475 285358620 /nfs/dbraw/zinc/35/86/20/285358620.db2.gz CAXPNAXPVKEFSH-RBUKOAKNSA-N 1 0 302.462 3.060 50 0 DGAARO c1cc(-c2ccc(SCC[NH+]3CCCCC3)nn2)ccn1 ZINC000005381223 400087517 /nfs/dbraw/zinc/08/75/17/400087517.db2.gz OAHSVJXEBIDNAH-UHFFFAOYSA-N 1 0 300.431 3.117 50 0 DGAARO Cn1n[n+](CCCCC(Cl)(Cl)Cl)c2ccccc21 ZINC000003204214 400082392 /nfs/dbraw/zinc/08/23/92/400082392.db2.gz QVVTXEHFRDIDLF-UHFFFAOYSA-N 1 0 307.632 3.401 50 0 DGAARO O=C1CC[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)CCN1 ZINC000584884520 400120677 /nfs/dbraw/zinc/12/06/77/400120677.db2.gz NXLYFJIDYDCSDP-QGZVFWFLSA-N 1 0 300.446 3.147 50 0 DGAARO OCC1CC[NH+](Cc2ccccc2NC2CCSCC2)CC1 ZINC000092141376 400157661 /nfs/dbraw/zinc/15/76/61/400157661.db2.gz PRWLJEQZBJKIBB-UHFFFAOYSA-N 1 0 320.502 3.198 50 0 DGAARO CC(C)C[NH2+]CCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000019927523 400187779 /nfs/dbraw/zinc/18/77/79/400187779.db2.gz RQLXSBSKRYQADH-UHFFFAOYSA-N 1 0 302.462 3.103 50 0 DGAARO OC[C@@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000096027517 400273961 /nfs/dbraw/zinc/27/39/61/400273961.db2.gz LOPVLYSUSHJOQX-PMACEKPBSA-N 1 0 311.425 3.234 50 0 DGAARO CC(C)Sc1ccccc1N1CC[NH+](CCCCCO)CC1 ZINC000096026580 400274548 /nfs/dbraw/zinc/27/45/48/400274548.db2.gz XJGGAKQMRKGLAR-UHFFFAOYSA-N 1 0 322.518 3.472 50 0 DGAARO CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)CC1 ZINC000097102537 400283517 /nfs/dbraw/zinc/28/35/17/400283517.db2.gz QUEHNMUSUUTRNC-HWMSQKFYSA-N 1 0 322.493 3.294 50 0 DGAARO CCN(Cc1cccc(NC2CC[NH+](C(C)C)CC2)c1)C(C)=O ZINC000097238255 400284152 /nfs/dbraw/zinc/28/41/52/400284152.db2.gz PUUHUJCYUJCVAP-UHFFFAOYSA-N 1 0 317.477 3.340 50 0 DGAARO COc1ccc(C2(C[NH2+][C@H]3CCCSC3)CCOCC2)cc1 ZINC000097371039 400284686 /nfs/dbraw/zinc/28/46/86/400284686.db2.gz YKGDSQMTQVAPDE-INIZCTEOSA-N 1 0 321.486 3.229 50 0 DGAARO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1nccnc1F ZINC000404305502 400295326 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Cc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1 ZINC000076042621 400628744 /nfs/dbraw/zinc/62/87/44/400628744.db2.gz GJMKCOZSQCANSK-PBHICJAKSA-N 1 0 319.474 3.274 50 0 DGAARO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1 ZINC000076057830 400630756 /nfs/dbraw/zinc/63/07/56/400630756.db2.gz MXTPKQDZTBAJJU-CRAIPNDOSA-N 1 0 302.462 3.232 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1F ZINC000076056517 400630759 /nfs/dbraw/zinc/63/07/59/400630759.db2.gz QOYHDRJWOWDHNZ-GDZNZVCISA-N 1 0 304.409 3.123 50 0 DGAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000075551832 400593523 /nfs/dbraw/zinc/59/35/23/400593523.db2.gz DRVYKFLNXIUMLM-UHFFFAOYSA-N 1 0 319.408 3.459 50 0 DGAARO Cc1cnc(-c2cccnc2)n1CC1CC[NH+](CC2CC2)CC1 ZINC000169787443 400760740 /nfs/dbraw/zinc/76/07/40/400760740.db2.gz YZWRIQSQARXZIF-UHFFFAOYSA-N 1 0 310.445 3.376 50 0 DGAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3sccc3C)C2)CC1 ZINC000169783521 400760792 /nfs/dbraw/zinc/76/07/92/400760792.db2.gz GJWIECLCBXRSFB-INIZCTEOSA-N 1 0 306.475 3.137 50 0 DGAARO CC(C)[C@@H](C(=O)O[C@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000170609452 400765745 /nfs/dbraw/zinc/76/57/45/400765745.db2.gz ZJWOFMAENSUGMT-RISCZKNCSA-N 1 0 306.431 3.487 50 0 DGAARO CCCCN1CCOC[C@H]1c1nc(-c2ccc(C)c(F)c2)no1 ZINC000170615939 400766525 /nfs/dbraw/zinc/76/65/25/400766525.db2.gz XOCSWHQVIIDLRO-HNNXBMFYSA-N 1 0 319.380 3.358 50 0 DGAARO CC[C@@H]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000170653073 400768692 /nfs/dbraw/zinc/76/86/92/400768692.db2.gz KNGDBJLHWXNKMM-LZLYRXPVSA-N 1 0 309.498 3.329 50 0 DGAARO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1c[nH]nc1C)O[C@H](C)C2 ZINC000180014005 400880867 /nfs/dbraw/zinc/88/08/67/400880867.db2.gz HDMWDCPXDLVJGG-NEPJUHHUSA-N 1 0 315.417 3.291 50 0 DGAARO COc1ccc(CC[N@@H+]2CCc3cnc(C(C)C)nc3C2)cc1 ZINC000078788176 400826155 /nfs/dbraw/zinc/82/61/55/400826155.db2.gz VROABWABMYABDQ-UHFFFAOYSA-N 1 0 311.429 3.209 50 0 DGAARO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1C ZINC000078898396 400833337 /nfs/dbraw/zinc/83/33/37/400833337.db2.gz IXTDTCZVYIDDFO-LPHOPBHVSA-N 1 0 314.473 3.348 50 0 DGAARO COc1cc(OC)cc([C@H]2CC[N@H+](CC3(O)CCCCC3)C2)c1 ZINC000175597954 400867547 /nfs/dbraw/zinc/86/75/47/400867547.db2.gz VNRATYMTHUIMOY-HNNXBMFYSA-N 1 0 319.445 3.188 50 0 DGAARO Cc1ccc2c(c1)[C@H]([NH2+]CCc1nnc3ccccn31)[C@H](C)C2 ZINC000195553437 400925199 /nfs/dbraw/zinc/92/51/99/400925199.db2.gz SQDCJONJRDZIAB-AUUYWEPGSA-N 1 0 306.413 3.103 50 0 DGAARO CSCC[C@@H]([NH2+][C@@H]1CCCSC1)c1nnc2ccccn21 ZINC000195558444 400925249 /nfs/dbraw/zinc/92/52/49/400925249.db2.gz TWBWQYFDAKLOCX-CHWSQXEVSA-N 1 0 322.503 3.009 50 0 DGAARO C[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000195556821 400925914 /nfs/dbraw/zinc/92/59/14/400925914.db2.gz ZJRLWPBKBXIZCK-RDJZCZTQSA-N 1 0 324.424 3.033 50 0 DGAARO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000225611220 400958767 /nfs/dbraw/zinc/95/87/67/400958767.db2.gz NXYCQKFOIDHFKC-LBPRGKRZSA-N 1 0 312.866 3.282 50 0 DGAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000247987958 401063735 /nfs/dbraw/zinc/06/37/35/401063735.db2.gz KYDBGAHMYIXSCE-DAYGRLMNSA-N 1 0 300.446 3.395 50 0 DGAARO C[NH2+][C@@]1(c2nnnn2-c2c(C)cccc2C)[C@H](C)CCC[C@@H]1C ZINC000248005720 401064947 /nfs/dbraw/zinc/06/49/47/401064947.db2.gz AJUVLTLEVIGLTL-HWWDLCQESA-N 1 0 313.449 3.150 50 0 DGAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000248012909 401065087 /nfs/dbraw/zinc/06/50/87/401065087.db2.gz JSHQYXIKYNOEOR-HKUYNNGSSA-N 1 0 311.425 3.354 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000248084234 401065187 /nfs/dbraw/zinc/06/51/87/401065187.db2.gz AYOGBIUIMSCALS-IAGOWNOFSA-N 1 0 315.392 3.006 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1cccs1 ZINC000248159124 401066491 /nfs/dbraw/zinc/06/64/91/401066491.db2.gz WWFBIOGBTMHJBF-JKSUJKDBSA-N 1 0 306.475 3.156 50 0 DGAARO C[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000090216071 401263505 /nfs/dbraw/zinc/26/35/05/401263505.db2.gz GSTQAFMRLZFQIZ-IBGZPJMESA-N 1 0 308.425 3.310 50 0 DGAARO Cc1nc(C(=O)Nc2ccccc2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257241 401260370 /nfs/dbraw/zinc/26/03/70/401260370.db2.gz GBSRDNYQWOVSRT-UHFFFAOYSA-N 1 0 312.417 3.019 50 0 DGAARO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000623607049 401555562 /nfs/dbraw/zinc/55/55/62/401555562.db2.gz VFAMAEFZANHMOB-GJZGRUSLSA-N 1 0 300.427 3.129 50 0 DGAARO COc1cc2c(cc1OC)[C@@H](c1cc(Cl)ccc1N)[NH2+]CC2 ZINC000020458218 286259701 /nfs/dbraw/zinc/25/97/01/286259701.db2.gz OZXRBUUEDMBVAR-KRWDZBQOSA-N 1 0 318.804 3.175 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 ZINC000269267247 432156354 /nfs/dbraw/zinc/15/63/54/432156354.db2.gz LAOXSIIRSGRTLL-KGLIPLIRSA-N 1 0 324.852 3.085 50 0 DGAARO Cc1cc(N[C@H](C)[C@H]2CCOC2)ccc1OCC[NH+]1CCCC1 ZINC000182237003 432169672 /nfs/dbraw/zinc/16/96/72/432169672.db2.gz CPEQGSBVPUIWRZ-SJORKVTESA-N 1 0 318.461 3.307 50 0 DGAARO OC[C@H]1c2ccccc2CCN1Cc1cc(-c2ccco2)on1 ZINC000130681346 196101775 /nfs/dbraw/zinc/10/17/75/196101775.db2.gz LGUFZLFCSOKBBC-INIZCTEOSA-N 1 0 310.353 3.026 50 0 DGAARO O=C1Nc2ccccc2C12CCC([NH2+]Cc1cccnc1)CC2 ZINC000151100839 432219514 /nfs/dbraw/zinc/21/95/14/432219514.db2.gz LJDZSTNGOSQCRD-UHFFFAOYSA-N 1 0 307.397 3.004 50 0 DGAARO CC(=O)NC1CCC([NH2+]CC2(Sc3ccccc3)CC2)CC1 ZINC000132930595 196297282 /nfs/dbraw/zinc/29/72/82/196297282.db2.gz BTERUOQYMIWTSV-UHFFFAOYSA-N 1 0 318.486 3.348 50 0 DGAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C(C)(C)C ZINC000040160180 425851059 /nfs/dbraw/zinc/85/10/59/425851059.db2.gz PPIYOOGUMYRYEJ-UHFFFAOYSA-N 1 0 316.449 3.363 50 0 DGAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000247884712 432252093 /nfs/dbraw/zinc/25/20/93/432252093.db2.gz SIOJXURDYXCQRR-LMMKCTJWSA-N 1 0 314.473 3.483 50 0 DGAARO C[NH+]1CCN(c2nc(-c3ccccc3F)nc3ccccc32)CC1 ZINC000000269160 273900574 /nfs/dbraw/zinc/90/05/74/273900574.db2.gz SWEYYNAOVQVUJO-UHFFFAOYSA-N 1 0 322.387 3.188 50 0 DGAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)cc1 ZINC000000526546 274116892 /nfs/dbraw/zinc/11/68/92/274116892.db2.gz RQWIEAZGOSQJEN-SFHVURJKSA-N 1 0 308.381 3.420 50 0 biogenic DGAARO C[C@H](CCn1cncn1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095423615 274480461 /nfs/dbraw/zinc/48/04/61/274480461.db2.gz IQYVQRDZUCEHPL-ZBFHGGJFSA-N 1 0 312.417 3.093 50 0 DGAARO Cc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)o1 ZINC000005704801 274735349 /nfs/dbraw/zinc/73/53/49/274735349.db2.gz QHJWXRGONUWWMY-FDMDGMSGSA-N 1 0 314.385 3.148 50 0 DGAARO Cc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)cc1C ZINC000077404924 274743169 /nfs/dbraw/zinc/74/31/69/274743169.db2.gz AVXAKIAZOQUMQK-LJQANCHMSA-N 1 0 306.413 3.426 50 0 DGAARO NNc1[nH+]c(-c2ccc(Br)cc2)nc2ccccc21 ZINC000000435215 274953749 /nfs/dbraw/zinc/95/37/49/274953749.db2.gz GWQBCZXRGIXGJY-UHFFFAOYSA-N 1 0 315.174 3.345 50 0 DGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1F ZINC000027582282 274982235 /nfs/dbraw/zinc/98/22/35/274982235.db2.gz LUYMJCROEYTLTI-OAHLLOKOSA-N 1 0 318.417 3.454 50 0 DGAARO O[C@@H](C[C@@H]1CCC[N@@H+]1CCN1CCCCC1)c1ccccc1 ZINC000076107477 275052819 /nfs/dbraw/zinc/05/28/19/275052819.db2.gz CAXPNAXPVKEFSH-OALUTQOASA-N 1 0 302.462 3.060 50 0 DGAARO c1ccc(C[NH+]2CCC(N3CC(c4cccnc4)C3)CC2)cc1 ZINC000072159197 275066808 /nfs/dbraw/zinc/06/68/08/275066808.db2.gz DJFCRYMVQQXNKZ-UHFFFAOYSA-N 1 0 307.441 3.145 50 0 DGAARO CC(C)(C)[NH2+]C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000004957846 275516888 /nfs/dbraw/zinc/51/68/88/275516888.db2.gz DGFCJMQKMNSQRZ-YMVOSSCXSA-N 1 0 309.494 3.359 50 0 DGAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCCC4)[C@H]3C=C12 ZINC000004028543 276181768 /nfs/dbraw/zinc/18/17/68/276181768.db2.gz DCJBMWWPSZAUKA-FXRXJOCMSA-N 1 0 301.430 3.317 50 0 biogenic DGAARO CC[N@@H+]1CCC[C@H](CN(CCOC)Cc2ccc(F)cc2)C1 ZINC000218968511 276374067 /nfs/dbraw/zinc/37/40/67/276374067.db2.gz PWTVCIYPJUHZJG-KRWDZBQOSA-N 1 0 308.441 3.006 50 0 DGAARO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3ccccc32)CC1 ZINC000035571327 277182622 /nfs/dbraw/zinc/18/26/22/277182622.db2.gz MRMIQWNSSBRSLQ-HNNXBMFYSA-N 1 0 302.418 3.359 50 0 DGAARO COC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000097230591 277333335 /nfs/dbraw/zinc/33/33/35/277333335.db2.gz AKXLRVWGCXZRBI-MRXNPFEDSA-N 1 0 306.381 3.024 50 0 DGAARO C[N@H+](C[C@@H]1CCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064449 431116726 /nfs/dbraw/zinc/11/67/26/431116726.db2.gz NPKQYXUTEDEBMG-COLVAYQJSA-N 1 0 316.228 3.062 50 0 DGAARO CC1(C)[NH2+]CC[C@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000000103654 431125031 /nfs/dbraw/zinc/12/50/31/431125031.db2.gz DDUFVSMGVTZHAR-HXUWFJFHSA-N 1 0 306.409 3.243 50 0 biogenic DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000069491645 279034655 /nfs/dbraw/zinc/03/46/55/279034655.db2.gz RXEKBOQGXVCYPN-LSDHHAIUSA-N 1 0 315.417 3.092 50 0 DGAARO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000216233879 279042593 /nfs/dbraw/zinc/04/25/93/279042593.db2.gz NQIHXCQBPFZUKR-LJQANCHMSA-N 1 0 313.445 3.178 50 0 DGAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)CC)CC1 ZINC000000299620 431163104 /nfs/dbraw/zinc/16/31/04/431163104.db2.gz OUSDROFTWHVKMI-HNNXBMFYSA-N 1 0 318.461 3.212 50 0 DGAARO Cc1ccc([C@@H](O)CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000000315384 431164940 /nfs/dbraw/zinc/16/49/40/431164940.db2.gz CBPRZKPZYKCRCR-SFHVURJKSA-N 1 0 307.397 3.115 50 0 DGAARO CCCC(=O)c1c(C)cc(C)cc1OC[C@H](O)C[NH2+]C(C)C ZINC000000395792 431176622 /nfs/dbraw/zinc/17/66/22/431176622.db2.gz GABBUWCFSFTMHF-OAHLLOKOSA-N 1 0 307.434 3.024 50 0 DGAARO C[C@@H](Cn1cccn1)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000069349852 431177319 /nfs/dbraw/zinc/17/73/19/431177319.db2.gz QLJZFNLRLBPVOS-NSHDSACASA-N 1 0 304.444 3.246 50 0 DGAARO Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)[C@@H](C)n2cccn2)c1 ZINC000069368402 431181205 /nfs/dbraw/zinc/18/12/05/431181205.db2.gz FZNBUMQHKSPRAQ-LSDHHAIUSA-N 1 0 309.417 3.321 50 0 DGAARO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000000448291 431183915 /nfs/dbraw/zinc/18/39/15/431183915.db2.gz YEBQOZKWVDRCKW-LJQANCHMSA-N 1 0 311.425 3.101 50 0 DGAARO CC(C)c1ccc(CCC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000069434312 431185986 /nfs/dbraw/zinc/18/59/86/431185986.db2.gz LHSQRPYCBXQDGP-IBGZPJMESA-N 1 0 314.473 3.439 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2c[nH]nc2-c2cccs2)c1 ZINC000069463577 431188485 /nfs/dbraw/zinc/18/84/85/431188485.db2.gz PKSOPHXPQJZRPH-STQMWFEESA-N 1 0 315.446 3.382 50 0 DGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000069459783 431188627 /nfs/dbraw/zinc/18/86/27/431188627.db2.gz PKALIVIHIHTYIX-CVEARBPZSA-N 1 0 309.417 3.117 50 0 DGAARO Cc1nc(C)c(-c2nnc(SC[C@@H]3CCC[N@@H+](C)C3)o2)s1 ZINC000069484280 431189017 /nfs/dbraw/zinc/18/90/17/431189017.db2.gz CDBWXZFCWCBVER-LLVKDONJSA-N 1 0 324.475 3.244 50 0 DGAARO Cc1ccc([C@@H](CNC(=O)C[C@@H]2C=CCC2)[NH+]2CCCC2)o1 ZINC000069513618 431191526 /nfs/dbraw/zinc/19/15/26/431191526.db2.gz ZZRGAKFSHAJDIB-HZPDHXFCSA-N 1 0 302.418 3.197 50 0 DGAARO C[NH+](C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000205835 431144933 /nfs/dbraw/zinc/14/49/33/431144933.db2.gz LMPRIQDIYLUDPZ-UHFFFAOYSA-N 1 0 319.408 3.193 50 0 DGAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000000239741 431150196 /nfs/dbraw/zinc/15/01/96/431150196.db2.gz LJHBSECKCFHWQS-PBHICJAKSA-N 1 0 304.409 3.162 50 0 DGAARO CC(=O)c1c(C)nn2c3ccccc3n(CC[NH+]3CCCCC3)c12 ZINC000000268640 431155968 /nfs/dbraw/zinc/15/59/68/431155968.db2.gz UTLMSOLBLSCKJE-UHFFFAOYSA-N 1 0 324.428 3.286 50 0 DGAARO CC(C)c1nnc2n1C[C@@H](C[NH2+]C/C=C/c1ccccc1)CC2 ZINC000069597866 431203702 /nfs/dbraw/zinc/20/37/02/431203702.db2.gz GBOJEVYLPUZXTB-RCMYXZNBSA-N 1 0 310.445 3.267 50 0 DGAARO Cc1ccccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000069655716 431209849 /nfs/dbraw/zinc/20/98/49/431209849.db2.gz CJWGSIQFJPZRGW-UHFFFAOYSA-N 1 0 301.459 3.159 50 0 DGAARO CC[NH2+]C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 ZINC000046078207 279497318 /nfs/dbraw/zinc/49/73/18/279497318.db2.gz QNKJVYPTMSEFCD-UHFFFAOYSA-N 1 0 305.813 3.085 50 0 DGAARO CCSCCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000069808806 431221398 /nfs/dbraw/zinc/22/13/98/431221398.db2.gz QAJUPUOKCWLUHR-UHFFFAOYSA-N 1 0 321.490 3.274 50 0 DGAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000069820205 431225183 /nfs/dbraw/zinc/22/51/83/431225183.db2.gz CCBPOGUHAAUMKU-CQSZACIVSA-N 1 0 320.387 3.085 50 0 DGAARO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000069893087 431230035 /nfs/dbraw/zinc/23/00/35/431230035.db2.gz MOBMIMCQFLTBCS-INIZCTEOSA-N 1 0 308.385 3.203 50 0 DGAARO CC[NH+](CC)[C@@H](C(=O)N(C)Cc1ccccn1)c1ccccc1 ZINC000069845992 431230127 /nfs/dbraw/zinc/23/01/27/431230127.db2.gz UPTXUTPSPIINSU-GOSISDBHSA-N 1 0 311.429 3.123 50 0 DGAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000070038148 431236325 /nfs/dbraw/zinc/23/63/25/431236325.db2.gz PQYOOLLUASGLMH-SJORKVTESA-N 1 0 324.827 3.454 50 0 DGAARO OC1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000070039192 431237943 /nfs/dbraw/zinc/23/79/43/431237943.db2.gz QGCOSZGHZGYFHP-HNQUOIGGSA-N 1 0 310.235 3.309 50 0 DGAARO CCC[NH+]1CCC(N(C(=O)c2ccc(Cl)nc2)C2CC2)CC1 ZINC000001741552 431238270 /nfs/dbraw/zinc/23/82/70/431238270.db2.gz WCLFZKSOYFBJHJ-UHFFFAOYSA-N 1 0 321.852 3.214 50 0 DGAARO CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1OC)CC1CC1 ZINC000002269260 431249524 /nfs/dbraw/zinc/24/95/24/431249524.db2.gz ILHVUKDDAZPZBF-UHFFFAOYSA-N 1 0 320.433 3.154 50 0 DGAARO CCOC(=O)CCCC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514597 431254030 /nfs/dbraw/zinc/25/40/30/431254030.db2.gz BDZZGBACQGNQRO-UHFFFAOYSA-N 1 0 303.402 3.199 50 0 DGAARO Cc1nc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cs1 ZINC000071575917 431284700 /nfs/dbraw/zinc/28/47/00/431284700.db2.gz RGBZDDCLDKMCII-INIZCTEOSA-N 1 0 321.490 3.034 50 0 DGAARO Cn1ccnc1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071765605 431285917 /nfs/dbraw/zinc/28/59/17/431285917.db2.gz LHLKYLVCEZBECC-MRXNPFEDSA-N 1 0 301.409 3.404 50 0 DGAARO Cc1ncc2c(c1CNc1nccc(C3CCCC3)n1)CC[NH2+]C2 ZINC000071776397 431287524 /nfs/dbraw/zinc/28/75/24/431287524.db2.gz CTGPNYULPXIHPZ-UHFFFAOYSA-N 1 0 323.444 3.095 50 0 DGAARO COc1cccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCCO3)cs2)c1 ZINC000071793579 431289541 /nfs/dbraw/zinc/28/95/41/431289541.db2.gz CCSRKGZCJJFYRN-LRDDRELGSA-N 1 0 318.442 3.476 50 0 DGAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C2CCCC2)CC1 ZINC000003553042 431294113 /nfs/dbraw/zinc/29/41/13/431294113.db2.gz ACYQYIWBEFVNRN-UHFFFAOYSA-N 1 0 321.852 3.221 50 0 DGAARO C=C1[NH+]=C(N)S[C@H](c2ccc(Cl)cc2)C1C(=O)OCC ZINC000004313409 431297719 /nfs/dbraw/zinc/29/77/19/431297719.db2.gz NXHANAHLABKLSF-GFCCVEGCSA-N 1 0 310.806 3.280 50 0 DGAARO c1cnn(C[C@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)c1 ZINC000071875551 431304717 /nfs/dbraw/zinc/30/47/17/431304717.db2.gz PSDQSCFGBGVAKT-QGZVFWFLSA-N 1 0 308.385 3.203 50 0 DGAARO CCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000006728241 431317086 /nfs/dbraw/zinc/31/70/86/431317086.db2.gz DKKXIGYOCFLWSS-UHFFFAOYSA-N 1 0 315.339 3.265 50 0 DGAARO CC[C@@H](OC1CCCC1)C(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC000071903940 431313798 /nfs/dbraw/zinc/31/37/98/431313798.db2.gz KLHVYEZFBZFFPY-GOSISDBHSA-N 1 0 322.493 3.271 50 0 DGAARO COCC[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000002655702 431261908 /nfs/dbraw/zinc/26/19/08/431261908.db2.gz BUNXXYUNVDLZBW-UHFFFAOYSA-N 1 0 316.426 3.012 50 0 DGAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccccc1 ZINC000002768389 431267033 /nfs/dbraw/zinc/26/70/33/431267033.db2.gz OEGUCRZIKIYSIW-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO C[C@@H](O)C[NH2+]CCCOc1cccc(Oc2ccccc2)c1 ZINC000002879639 431274923 /nfs/dbraw/zinc/27/49/23/431274923.db2.gz BZLPVJSNLVBKHK-OAHLLOKOSA-N 1 0 301.386 3.218 50 0 DGAARO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCc1ccc(C)cc1 ZINC000006745277 431318179 /nfs/dbraw/zinc/31/81/79/431318179.db2.gz FHEGGUHCJAUKRW-OAHLLOKOSA-N 1 0 315.413 3.053 50 0 DGAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3cccc(O)c3)C2)c1 ZINC000071924608 431320879 /nfs/dbraw/zinc/32/08/79/431320879.db2.gz GGZYDYWMPZIJOR-MRXNPFEDSA-N 1 0 312.413 3.017 50 0 DGAARO CCc1cc2c(C[N@@H+]3CCC[C@H](C)C3)cc(=O)oc2cc1O ZINC000006851610 431321852 /nfs/dbraw/zinc/32/18/52/431321852.db2.gz QFJGNHOSBKFTFZ-LBPRGKRZSA-N 1 0 301.386 3.293 50 0 DGAARO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)CCCC(C)C ZINC000006906660 431324935 /nfs/dbraw/zinc/32/49/35/431324935.db2.gz JBBDURRRSRDHQN-AEFFLSMTSA-N 1 0 323.477 3.377 50 0 DGAARO COc1ccc(COC[C@@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000006941325 431326336 /nfs/dbraw/zinc/32/63/36/431326336.db2.gz CUETUGYOIAAKHY-SFHVURJKSA-N 1 0 321.461 3.275 50 0 DGAARO Cc1ccccc1N1CCC[N@@H+](Cc2cnn(C)c2C2CC2)CC1 ZINC000072168789 431330800 /nfs/dbraw/zinc/33/08/00/431330800.db2.gz FOENNCDNEUHXKF-UHFFFAOYSA-N 1 0 324.472 3.318 50 0 DGAARO O=C1NC[C@@]2(CCC[N@H+](Cc3ccccc3-c3ccccc3)C2)O1 ZINC000072127191 431331338 /nfs/dbraw/zinc/33/13/38/431331338.db2.gz JDPJJDHIAHZHKY-HXUWFJFHSA-N 1 0 322.408 3.428 50 0 DGAARO CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C12CCCC2 ZINC000072304617 431336197 /nfs/dbraw/zinc/33/61/97/431336197.db2.gz NZFXPUOGANSHAT-IXDOHACOSA-N 1 0 322.493 3.105 50 0 DGAARO CCCc1cc(NCC2(Cn3ccnc3C)CC2)n2nccc2n1 ZINC000072456911 431337339 /nfs/dbraw/zinc/33/73/39/431337339.db2.gz BPQKANOVRQWDRD-UHFFFAOYSA-N 1 0 324.432 3.079 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000007358919 431342918 /nfs/dbraw/zinc/34/29/18/431342918.db2.gz IZEXBMZTKSAMGK-HZPDHXFCSA-N 1 0 315.461 3.203 50 0 DGAARO Cn1c2ccccc2nc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000072716237 431346589 /nfs/dbraw/zinc/34/65/89/431346589.db2.gz PIHQZLUJGWPLMT-MRXNPFEDSA-N 1 0 313.445 3.497 50 0 DGAARO C[C@H]1CCCC[C@@H]1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000007570379 431354797 /nfs/dbraw/zinc/35/47/97/431354797.db2.gz DXMZXLDBDTUPSJ-JSGCOSHPSA-N 1 0 311.539 3.338 50 0 DGAARO COc1ccc(Cl)cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000007814122 431365011 /nfs/dbraw/zinc/36/50/11/431365011.db2.gz BOCQOGQKQFEVIP-UHFFFAOYSA-N 1 0 312.841 3.197 50 0 DGAARO CC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccc(C)cc1 ZINC000008937919 431418276 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C[C@H]1CCCC[N@@H+]1CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000040107537 431857244 /nfs/dbraw/zinc/85/72/44/431857244.db2.gz RUEIMMIMMQVANF-ISOUWHGUSA-N 1 0 304.478 3.193 50 0 DGAARO CCOC(=O)N1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000089153726 431860212 /nfs/dbraw/zinc/86/02/12/431860212.db2.gz XPDJYFXWBKJJAK-DOTOQJQBSA-N 1 0 302.418 3.001 50 0 DGAARO CC(C)c1cc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)on1 ZINC000089155216 431860823 /nfs/dbraw/zinc/86/08/23/431860823.db2.gz DOGBHTBFKWSWHC-UHFFFAOYSA-N 1 0 321.465 3.315 50 0 DGAARO COc1cc(NCC[NH2+]Cc2cc(C)oc2C)cc(OC)c1 ZINC000123357430 431862576 /nfs/dbraw/zinc/86/25/76/431862576.db2.gz IKGRJFWTZLOSSE-UHFFFAOYSA-N 1 0 304.390 3.115 50 0 DGAARO Cc1cc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)s1 ZINC000089582347 431870335 /nfs/dbraw/zinc/87/03/35/431870335.db2.gz NXLSNWPXICPBOX-ZFWWWQNUSA-N 1 0 321.490 3.306 50 0 DGAARO Cc1nn(C(C)C)c(C)c1[C@@H](C)[NH2+]CC(=O)NC1CCCCC1 ZINC000089591308 431871254 /nfs/dbraw/zinc/87/12/54/431871254.db2.gz 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CCc1ccc(-c2ccc(C[NH2+]C3(CO)CCOCC3)o2)cc1 ZINC000096443626 431950138 /nfs/dbraw/zinc/95/01/38/431950138.db2.gz WQTPIHZUHDYPCF-UHFFFAOYSA-N 1 0 315.413 3.140 50 0 DGAARO O=C(CCc1ccco1)OC1CC[NH+](Cc2ccsc2)CC1 ZINC000096442744 431950238 /nfs/dbraw/zinc/95/02/38/431950238.db2.gz IXLDXWOAXHBNBA-UHFFFAOYSA-N 1 0 319.426 3.482 50 0 DGAARO COc1cc(OC)c(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1F ZINC000096461595 431951304 /nfs/dbraw/zinc/95/13/04/431951304.db2.gz ILKHLCYBHUCPFQ-GFCCVEGCSA-N 1 0 324.396 3.046 50 0 DGAARO Fc1ccccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000096455939 431951698 /nfs/dbraw/zinc/95/16/98/431951698.db2.gz IHDICCHDPIYIBM-QGZVFWFLSA-N 1 0 307.409 3.376 50 0 DGAARO O=C(NCC1CC1)C1([NH2+]Cc2cccc3cccnc32)CCCC1 ZINC000096461298 431951731 /nfs/dbraw/zinc/95/17/31/431951731.db2.gz GSSYSMDOSMHTAL-UHFFFAOYSA-N 1 0 323.440 3.163 50 0 DGAARO CC(C)C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000096476803 431952762 /nfs/dbraw/zinc/95/27/62/431952762.db2.gz INFSKTHEUGYCAY-UKRRQHHQSA-N 1 0 315.383 3.395 50 0 DGAARO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000096476405 431952800 /nfs/dbraw/zinc/95/28/00/431952800.db2.gz LUISGDMLCAGNMQ-LBPRGKRZSA-N 1 0 314.351 3.369 50 0 DGAARO c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000096476450 431952985 /nfs/dbraw/zinc/95/29/85/431952985.db2.gz JPQVWJZPRHVWLA-GOSISDBHSA-N 1 0 302.487 3.233 50 0 DGAARO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000096479016 431953153 /nfs/dbraw/zinc/95/31/53/431953153.db2.gz LEMPSHJCHZIEQG-BMIGLBTASA-N 1 0 314.520 3.268 50 0 DGAARO CCc1c(C)[nH+]c2ccccc2c1N1CCC(C(=O)NC)CC1 ZINC000096496049 431954306 /nfs/dbraw/zinc/95/43/06/431954306.db2.gz FGBMLHKXRHCQGW-UHFFFAOYSA-N 1 0 311.429 3.068 50 0 DGAARO CCCC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000096499765 431954462 /nfs/dbraw/zinc/95/44/62/431954462.db2.gz CHTVWKMMYMGYBE-OAHLLOKOSA-N 1 0 324.852 3.227 50 0 DGAARO O=S1(=O)CCC[C@H]1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000097034749 431956853 /nfs/dbraw/zinc/95/68/53/431956853.db2.gz NRIZTVJGMVHWKG-IRXDYDNUSA-N 1 0 307.459 3.085 50 0 DGAARO Cc1noc(C)c1[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000097036969 431956915 /nfs/dbraw/zinc/95/69/15/431956915.db2.gz RGKCLBQFWXVLHT-SNVBAGLBSA-N 1 0 306.435 3.068 50 0 DGAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000097037317 431957063 /nfs/dbraw/zinc/95/70/63/431957063.db2.gz RUEKHWQGCSDBRM-JKIFEVAISA-N 1 0 312.417 3.410 50 0 DGAARO Brc1cccc(NCC[NH2+]Cc2cncs2)c1 ZINC000097048129 431957774 /nfs/dbraw/zinc/95/77/74/431957774.db2.gz KQTKKUXYXWLBJO-UHFFFAOYSA-N 1 0 312.236 3.107 50 0 DGAARO Brc1cccc(NCC[NH2+]Cc2cccnc2)c1 ZINC000097048127 431957802 /nfs/dbraw/zinc/95/78/02/431957802.db2.gz BGVOMVOTHWUVSF-UHFFFAOYSA-N 1 0 306.207 3.046 50 0 DGAARO Cc1noc([C@@H]2CCC[N@@H+](CCO[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000052862953 431958340 /nfs/dbraw/zinc/95/83/40/431958340.db2.gz ZNECNJZIMLKZIN-NUEKZKHPSA-N 1 0 307.438 3.153 50 0 DGAARO COc1ccccc1COC1CC[NH+](Cc2cccn2C)CC1 ZINC000097051537 431958596 /nfs/dbraw/zinc/95/85/96/431958596.db2.gz FXRIXNXZQWSYKT-UHFFFAOYSA-N 1 0 314.429 3.215 50 0 DGAARO CC(=O)NC[C@@H]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000097085931 431960101 /nfs/dbraw/zinc/96/01/01/431960101.db2.gz NRZGFHVZCHUXNZ-INIZCTEOSA-N 1 0 311.429 3.204 50 0 DGAARO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccncc1 ZINC000097084013 431960254 /nfs/dbraw/zinc/96/02/54/431960254.db2.gz LMNNCWRFZIPVOQ-GFCCVEGCSA-N 1 0 303.793 3.333 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000097113971 431962191 /nfs/dbraw/zinc/96/21/91/431962191.db2.gz AEYRHMJLCOXQFM-AEGPPILISA-N 1 0 306.406 3.015 50 0 DGAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cc(-c3ccccc3)cs1)CC2 ZINC000097199407 431964612 /nfs/dbraw/zinc/96/46/12/431964612.db2.gz NNEXEUDPUWJMOM-INIZCTEOSA-N 1 0 324.453 3.420 50 0 DGAARO CC1(C)Cc2cccc(CN3CCC([NH2+]CC4CC4)CC3)c2O1 ZINC000097229197 431965459 /nfs/dbraw/zinc/96/54/59/431965459.db2.gz NYXGIZQCGYXNHR-UHFFFAOYSA-N 1 0 314.473 3.364 50 0 DGAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccncc2)c(F)c1 ZINC000097370711 431967670 /nfs/dbraw/zinc/96/76/70/431967670.db2.gz ODNFVGWAMICUPE-QWHCGFSZSA-N 1 0 301.365 3.207 50 0 DGAARO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000097371299 431967687 /nfs/dbraw/zinc/96/76/87/431967687.db2.gz FYIHINSFRYPNKM-XJKSGUPXSA-N 1 0 302.397 3.112 50 0 DGAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccncc2)c(F)c1 ZINC000097370712 431967860 /nfs/dbraw/zinc/96/78/60/431967860.db2.gz ODNFVGWAMICUPE-STQMWFEESA-N 1 0 301.365 3.207 50 0 DGAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000054204363 431968661 /nfs/dbraw/zinc/96/86/61/431968661.db2.gz JBNQPBGAMJEMRU-GOSISDBHSA-N 1 0 323.440 3.283 50 0 DGAARO C[NH2+][C@@H](C)c1nc(C2CCOCC2)nn1CC1CCCCC1 ZINC000097475435 431969546 /nfs/dbraw/zinc/96/95/46/431969546.db2.gz GHMTWEUNIKTFMU-ZDUSSCGKSA-N 1 0 306.454 3.033 50 0 DGAARO CCOc1cccc(C[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000097465579 431969658 /nfs/dbraw/zinc/96/96/58/431969658.db2.gz MJYUBLIJUVTCPB-UHFFFAOYSA-N 1 0 304.356 3.059 50 0 DGAARO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CC2CC[NH2+]CC2)C1 ZINC000237357588 281396817 /nfs/dbraw/zinc/39/68/17/281396817.db2.gz JOVDTPHCFQBRPB-WBVHZDCISA-N 1 0 300.446 3.089 50 0 DGAARO O=C(c1ccc(C(F)(F)F)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000058330933 431995343 /nfs/dbraw/zinc/99/53/43/431995343.db2.gz OXQJGNJBVJDGDW-UHFFFAOYSA-N 1 0 312.335 3.016 50 0 DGAARO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000248011443 432261343 /nfs/dbraw/zinc/26/13/43/432261343.db2.gz JBMRHORQILGVDY-CABCVRRESA-N 1 0 317.454 3.416 50 0 DGAARO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)C(C)(C)O1 ZINC000183743227 432322550 /nfs/dbraw/zinc/32/25/50/432322550.db2.gz MQIFTLNKXIIAFZ-HNNXBMFYSA-N 1 0 318.417 3.079 50 0 DGAARO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000248873896 432325287 /nfs/dbraw/zinc/32/52/87/432325287.db2.gz IRTOUADZCVOCCZ-XKQJLSEDSA-N 1 0 315.417 3.334 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249085669 432338148 /nfs/dbraw/zinc/33/81/48/432338148.db2.gz MNJMGDFYUIIOSS-BBWFWOEESA-N 1 0 314.477 3.396 50 0 DGAARO COc1cccc2c1CC[C@@H]([NH2+]CCc1cn3ccccc3n1)C2 ZINC000192438763 432373225 /nfs/dbraw/zinc/37/32/25/432373225.db2.gz VQGNULORIGZBGI-MRXNPFEDSA-N 1 0 321.424 3.033 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)nc12 ZINC000252452511 432375966 /nfs/dbraw/zinc/37/59/66/432375966.db2.gz MPTQRAIMBWSTCP-HOTGVXAUSA-N 1 0 311.429 3.015 50 0 DGAARO CCOc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000252452459 432376576 /nfs/dbraw/zinc/37/65/76/432376576.db2.gz JXDFYUGHXZFLOQ-HUUCEWRRSA-N 1 0 319.449 3.470 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCCc2ccccc21 ZINC000252452954 432376913 /nfs/dbraw/zinc/37/69/13/432376913.db2.gz QKFCKSODGLQKOW-RDJZCZTQSA-N 1 0 317.502 3.012 50 0 DGAARO Cc1cc(C)c(C[N@H+]2CCC[C@@H]2C)cc1CN1CC[NH+](C)CC1 ZINC000252483500 432378020 /nfs/dbraw/zinc/37/80/20/432378020.db2.gz FCRPNJUQJAKCIH-SFHVURJKSA-N 1 0 315.505 3.035 50 0 DGAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000252486971 432378338 /nfs/dbraw/zinc/37/83/38/432378338.db2.gz PZLWGTHUHUFOFC-NJNCZSALSA-N 1 0 305.418 3.029 50 0 DGAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cncn1C1CCCCC1 ZINC000252489604 432379459 /nfs/dbraw/zinc/37/94/59/432379459.db2.gz JURLTALYRFBKAQ-HNNXBMFYSA-N 1 0 313.449 3.241 50 0 DGAARO c1cc([C@H]2CCC[N@@H+](Cc3cncn3C3CCCCC3)C2)n[nH]1 ZINC000252488740 432379575 /nfs/dbraw/zinc/37/95/75/432379575.db2.gz IXRXWQPUOGTUFJ-HNNXBMFYSA-N 1 0 313.449 3.491 50 0 DGAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cncn1C1CCCCC1 ZINC000252489605 432380286 /nfs/dbraw/zinc/38/02/86/432380286.db2.gz JURLTALYRFBKAQ-OAHLLOKOSA-N 1 0 313.449 3.241 50 0 DGAARO CCCCCn1c[n+](Cc2ccc(Br)cc2)cn1 ZINC000252509505 432381326 /nfs/dbraw/zinc/38/13/26/432381326.db2.gz YOWKPUKKLOOYBO-UHFFFAOYSA-N 1 0 309.231 3.172 50 0 DGAARO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1 ZINC000252553207 432383132 /nfs/dbraw/zinc/38/31/32/432383132.db2.gz VHQHEQNRFPSJPC-SNRMKQJTSA-N 1 0 323.440 3.049 50 0 DGAARO CS[C@@H]1CCC[C@@H]([NH2+][C@H](c2nccn2C)C2CCOCC2)C1 ZINC000253420681 432395319 /nfs/dbraw/zinc/39/53/19/432395319.db2.gz ZSFDLGCGBRBNOT-OAGGEKHMSA-N 1 0 323.506 3.152 50 0 DGAARO COc1cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(C)o2)ccc1F ZINC000253417293 432396188 /nfs/dbraw/zinc/39/61/88/432396188.db2.gz XIJDQQWNWWUYGH-YVEFUNNKSA-N 1 0 307.365 3.294 50 0 DGAARO C[C@H](c1cnccn1)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000184546958 432404772 /nfs/dbraw/zinc/40/47/72/432404772.db2.gz VUDNRUKDFYRWAV-MRXNPFEDSA-N 1 0 322.456 3.312 50 0 DGAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000193124989 432452842 /nfs/dbraw/zinc/45/28/42/432452842.db2.gz FAKMXCNHEZWDFT-CRAIPNDOSA-N 1 0 301.478 3.460 50 0 DGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000069531723 281695425 /nfs/dbraw/zinc/69/54/25/281695425.db2.gz CJQDCANRCSOHSR-CVEARBPZSA-N 1 0 309.417 3.117 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)c2ccoc2)CC1 ZINC000257179952 432416108 /nfs/dbraw/zinc/41/61/08/432416108.db2.gz DBNJCBYZXVRTSL-KRWDZBQOSA-N 1 0 304.434 3.396 50 0 DGAARO O=C1NCCCCCC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000257182040 432417099 /nfs/dbraw/zinc/41/70/99/432417099.db2.gz OKPZGFFGHZIRKV-MSOLQXFVSA-N 1 0 300.446 3.348 50 0 DGAARO C[NH2+]CC(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 ZINC000195543416 432626454 /nfs/dbraw/zinc/62/64/54/432626454.db2.gz BKRUMMJGSSZYKC-UHFFFAOYSA-N 1 0 302.399 3.004 50 0 DGAARO COc1ccc([C@H](C)C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000195550302 432628532 /nfs/dbraw/zinc/62/85/32/432628532.db2.gz WDQKSRAIFPRSEX-DQEVTTJGSA-N 1 0 319.445 3.067 50 0 DGAARO Cc1nccn1CC[N@@H+](C)Cc1c(C)cc(C)cc1-n1cccn1 ZINC000215265761 432643702 /nfs/dbraw/zinc/64/37/02/432643702.db2.gz UPCIPBIBXYOXIQ-UHFFFAOYSA-N 1 0 323.444 3.126 50 0 DGAARO COc1ccc(-n2cccn2)c(C[N@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000215589521 432644268 /nfs/dbraw/zinc/64/42/68/432644268.db2.gz BBTCPVCQQHJLOJ-HNNXBMFYSA-N 1 0 322.412 3.469 50 0 DGAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1cc(C[NH+](C)C)cs1 ZINC000215921012 432644725 /nfs/dbraw/zinc/64/47/25/432644725.db2.gz UDINHTSKWXWONM-UHFFFAOYSA-N 1 0 304.463 3.042 50 0 DGAARO CN(C)c1ncc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)cn1 ZINC000215793392 432644963 /nfs/dbraw/zinc/64/49/63/432644963.db2.gz VRNOVVKHOIXMNP-CQSZACIVSA-N 1 0 316.836 3.186 50 0 DGAARO CC(C)(C)c1cc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)[nH]n1 ZINC000215898887 432645651 /nfs/dbraw/zinc/64/56/51/432645651.db2.gz XMQWWNQZNSXSCR-MRXNPFEDSA-N 1 0 315.465 3.349 50 0 DGAARO C[N@H+](Cc1cnc2ccccn12)C[C@]1(c2ccccc2)CCOC1 ZINC000216062400 432646966 /nfs/dbraw/zinc/64/69/66/432646966.db2.gz OJARIVLABQMCII-HXUWFJFHSA-N 1 0 321.424 3.124 50 0 DGAARO COc1ccc(C[N@H+](C)Cc2ccnc(C)c2)cc1C[NH+](C)C ZINC000216137933 432647081 /nfs/dbraw/zinc/64/70/81/432647081.db2.gz JLZCDSRUPOJULB-UHFFFAOYSA-N 1 0 313.445 3.092 50 0 DGAARO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000096476814 282046245 /nfs/dbraw/zinc/04/62/45/282046245.db2.gz UCKITJSSOUWCIV-CMPLNLGQSA-N 1 0 319.396 3.055 50 0 DGAARO c1nc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000221761784 432669255 /nfs/dbraw/zinc/66/92/55/432669255.db2.gz JJFLPMDGVBKHKC-RYQLBKOJSA-N 1 0 313.470 3.143 50 0 DGAARO [NH3+]C[C@H]1CCCCN1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216347310 432649001 /nfs/dbraw/zinc/64/90/01/432649001.db2.gz JLFHOSGJXHRFSZ-MRXNPFEDSA-N 1 0 316.836 3.110 50 0 DGAARO COCC[NH+]1CCN(Cc2ccc(-c3ccc(C)o3)cc2)CC1 ZINC000216318253 432649245 /nfs/dbraw/zinc/64/92/45/432649245.db2.gz CXCWBCSLQTYRMH-UHFFFAOYSA-N 1 0 314.429 3.019 50 0 DGAARO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N(Cc2cccnc2)C3)cc1 ZINC000216413802 432649465 /nfs/dbraw/zinc/64/94/65/432649465.db2.gz PFWGSWULOSWKEX-UXHICEINSA-N 1 0 307.441 3.178 50 0 DGAARO CC[C@@H](c1ccccn1)N(C)Cc1cc2c(cc1OC)OCO2 ZINC000216535570 432651541 /nfs/dbraw/zinc/65/15/41/432651541.db2.gz UQGFXTNSKGGDJC-HNNXBMFYSA-N 1 0 314.385 3.402 50 0 DGAARO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](C)c2cccc(Cl)c2)C1 ZINC000187478631 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CC(C)c1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)[nH]n1 ZINC000229499976 432721417 /nfs/dbraw/zinc/72/14/17/432721417.db2.gz SFRVXEULJQVQCN-ZNMIVQPWSA-N 1 0 318.465 3.011 50 0 DGAARO Cc1noc([C@H](C)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 ZINC000229624688 432721906 /nfs/dbraw/zinc/72/19/06/432721906.db2.gz HCEOHCZQVPSMLR-WCQYABFASA-N 1 0 311.389 3.195 50 0 DGAARO Fc1cc(CN2CCS[C@@H]3COCC[C@H]32)ccc1Cl ZINC000230090873 432724188 /nfs/dbraw/zinc/72/41/88/432724188.db2.gz XAPOTEFDGMNPIU-ZIAGYGMSSA-N 1 0 301.814 3.185 50 0 DGAARO CC[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cccs1 ZINC000230134078 432725092 /nfs/dbraw/zinc/72/50/92/432725092.db2.gz KXKHZAAAJIBRJR-SOUVJXGZSA-N 1 0 321.490 3.325 50 0 DGAARO COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000177945441 432677373 /nfs/dbraw/zinc/67/73/73/432677373.db2.gz AFTIHNIKACVOIA-INIZCTEOSA-N 1 0 318.804 3.007 50 0 DGAARO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cc1Br ZINC000225352794 432689250 /nfs/dbraw/zinc/68/92/50/432689250.db2.gz 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655974842 /nfs/dbraw/zinc/97/48/42/655974842.db2.gz MGMPZNVPJOKGCC-ZDUSSCGKSA-N 1 0 317.429 3.439 50 0 DGAARO O[C@H](c1ccc2c(c1)C[NH2+]CCO2)c1c(F)cccc1Cl ZINC000299757044 656224787 /nfs/dbraw/zinc/22/47/87/656224787.db2.gz HUTKLSAATYVESI-MRXNPFEDSA-N 1 0 307.752 3.043 50 0 DGAARO CSC[C@H](C)[N@@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000015063388 658008682 /nfs/dbraw/zinc/00/86/82/658008682.db2.gz YHVPZUAEHZPOPE-NSHDSACASA-N 1 0 305.422 3.325 50 0 DGAARO COc1ccc(-c2cccc(-c3ccn(CC[NH+](C)C)n3)c2)cn1 ZINC000020256151 658707433 /nfs/dbraw/zinc/70/74/33/658707433.db2.gz UNLCYEJNRIIXIV-UHFFFAOYSA-N 1 0 322.412 3.182 50 0 DGAARO Fc1ccccc1-c1n[nH]c2c1C[N@@H+]([C@@H]1CCSC1)CC2 ZINC000020773953 658721483 /nfs/dbraw/zinc/72/14/83/658721483.db2.gz QQBKYSAASMGHAF-LLVKDONJSA-N 1 0 303.406 3.079 50 0 DGAARO C[C@@H](Nc1ncnc2c1CC[NH2+]C2)c1ccc2c(c1)CCCC2 ZINC000067804891 658764041 /nfs/dbraw/zinc/76/40/41/658764041.db2.gz UZSDDVGKBVGYHX-CYBMUJFWSA-N 1 0 308.429 3.174 50 0 DGAARO C[C@H](Cc1ccccc1F)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000156664707 658932537 /nfs/dbraw/zinc/93/25/37/658932537.db2.gz HLTOIQCASBGJCL-CQSZACIVSA-N 1 0 320.452 3.383 50 0 DGAARO C[C@H](c1ccc(-c2ncccc2C(N)=O)cc1)[NH+]1CCCCC1 ZINC000032540639 659478136 /nfs/dbraw/zinc/47/81/36/659478136.db2.gz RDCDMGRIKFRAAT-CQSZACIVSA-N 1 0 309.413 3.394 50 0 DGAARO COc1cc2c(c(C[N@H+](C)CCc3ccncc3)c1)O[C@H](C)C2 ZINC000183758130 660135845 /nfs/dbraw/zinc/13/58/45/660135845.db2.gz SVPAIPGVHBIVFA-CQSZACIVSA-N 1 0 312.413 3.088 50 0 DGAARO COC1(C[NH2+]Cc2cnc3c(cnn3C(C)C)c2)CCCCC1 ZINC000187446201 661631813 /nfs/dbraw/zinc/63/18/13/661631813.db2.gz BOJVTRHGDGOWQL-UHFFFAOYSA-N 1 0 316.449 3.451 50 0 DGAARO Cc1n[nH]c(C[NH2+]C2CCN(c3cccc(C)c3)CC2)c1Cl ZINC000952973667 662209287 /nfs/dbraw/zinc/20/92/87/662209287.db2.gz FQQVVJWZZPPYFK-UHFFFAOYSA-N 1 0 318.852 3.439 50 0 DGAARO C[C@H]1CCCC[N@@H+]1CCN(C)Cc1ccnn1-c1ccccc1 ZINC000952988780 662210711 /nfs/dbraw/zinc/21/07/11/662210711.db2.gz SDTDMMQDDUTGPU-KRWDZBQOSA-N 1 0 312.461 3.179 50 0 DGAARO CCN(Cc1cnc(-c2cccc(C)c2)nc1)C[C@H]1CC[N@H+](C)C1 ZINC000063868482 685052311 /nfs/dbraw/zinc/05/23/11/685052311.db2.gz OPKHNFJZPDWWQE-KRWDZBQOSA-N 1 0 324.472 3.226 50 0 DGAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000067804544 685057094 /nfs/dbraw/zinc/05/70/94/685057094.db2.gz CGAQBXNWGWXXAX-OAHLLOKOSA-N 1 0 300.402 3.163 50 0 DGAARO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000071752866 685058739 /nfs/dbraw/zinc/05/87/39/685058739.db2.gz AUCXTWOMBPQUBY-LJQANCHMSA-N 1 0 311.429 3.002 50 0 DGAARO CCC(CC)[NH+]1CCC2(CC1)c1ccccc1[C@@H](OC)[C@@H]2O ZINC000072162176 685059350 /nfs/dbraw/zinc/05/93/50/685059350.db2.gz CONSUFUWZHFASG-MSOLQXFVSA-N 1 0 303.446 3.271 50 0 DGAARO CCCOc1ccc(OCC[N@@H+]2CC[C@H](O)C[C@@H]2C2CC2)cc1 ZINC001772705469 1176672954 /nfs/dbraw/zinc/67/29/54/1176672954.db2.gz MUMNIWIWUSLBNT-QFBILLFUSA-N 1 0 319.445 3.090 50 0 DGAARO CCCCC(=O)Nc1ccc(NC(=O)C2CC[NH2+]CC2)cc1C ZINC001506402574 1186222368 /nfs/dbraw/zinc/22/23/68/1186222368.db2.gz OKOJDRMCVYSMTN-UHFFFAOYSA-N 1 0 317.433 3.062 50 0 DGAARO CC(C)c1csc(C(=O)N(C)CC[C@H](C)[NH+]2CCCC2)n1 ZINC001506404094 1186222895 /nfs/dbraw/zinc/22/28/95/1186222895.db2.gz VGEDOZDZBYQENE-ZDUSSCGKSA-N 1 0 309.479 3.213 50 0 DGAARO O=C1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CCN1CC1CC1 ZINC001506412493 1186224196 /nfs/dbraw/zinc/22/41/96/1186224196.db2.gz ZFMLDEZVKDSFJA-AWEZNQCLSA-N 1 0 324.827 3.360 50 0 DGAARO COc1ccc(OC)c([C@H](C)[NH2+]C2CSCCSC2)c1 ZINC001506422229 1186226242 /nfs/dbraw/zinc/22/62/42/1186226242.db2.gz PSVUGRGRCJKMJB-NSHDSACASA-N 1 0 313.488 3.203 50 0 DGAARO Fc1cnc(NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC001506421976 1186226418 /nfs/dbraw/zinc/22/64/18/1186226418.db2.gz XNRQNPPAMILMLM-KRWDZBQOSA-N 1 0 314.408 3.472 50 0 DGAARO CC(C)Nc1cc(NCc2nncn2C2CCCCC2)ncn1 ZINC001506425856 1186226891 /nfs/dbraw/zinc/22/68/91/1186226891.db2.gz SETFWKGUODDISK-UHFFFAOYSA-N 1 0 315.425 3.006 50 0 DGAARO Cc1nn(C)c(C)c1C[N@@H+](CCc1cccc(C)n1)C(C)C ZINC001506425792 1186227082 /nfs/dbraw/zinc/22/70/82/1186227082.db2.gz GLNULKKMWFPILY-UHFFFAOYSA-N 1 0 300.450 3.193 50 0 DGAARO CC(C)c1nccc(CNCC[C@H]2CCCC[N@H+]2C(C)C)n1 ZINC001506423003 1186227149 /nfs/dbraw/zinc/22/71/49/1186227149.db2.gz BSTCZQXXQDODRH-QGZVFWFLSA-N 1 0 304.482 3.343 50 0 DGAARO Cc1cnc(C)c(N2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC001529126024 1187534642 /nfs/dbraw/zinc/53/46/42/1187534642.db2.gz NHULOAKMSRIBAP-SFHVURJKSA-N 1 0 310.445 3.497 50 0 DGAARO Cc1ncc(CN2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)cn1 ZINC001529168200 1187538233 /nfs/dbraw/zinc/53/82/33/1187538233.db2.gz XZTACPSSJJYUSH-RBUKOAKNSA-N 1 0 309.413 3.137 50 0 DGAARO C[N@H+](CCc1ccc(O)cc1)C[C@H]1CCN(c2ccccc2)C1 ZINC001529190310 1187540280 /nfs/dbraw/zinc/54/02/80/1187540280.db2.gz HBDJPCXZVDUHGN-GOSISDBHSA-N 1 0 310.441 3.393 50 0 DGAARO CC[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3cccc(O)c3Cl)C[C@@H]21 ZINC001704301140 1202519429 /nfs/dbraw/zinc/51/94/29/1202519429.db2.gz MJLBHIFZDZRVAH-HACGYAERSA-N 1 0 309.837 3.419 50 0 DGAARO Cc1c2ccccc2oc1C[N@@H+](C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704338973 1202521848 /nfs/dbraw/zinc/52/18/48/1202521848.db2.gz MAPQQACNVFRWRY-QLFBSQMISA-N 1 0 312.413 3.088 50 0 DGAARO CO[C@@H]1CCC[C@@]12CCC[N@H+](CCC(=O)NC1CCCCC1)C2 ZINC001704339581 1202521893 /nfs/dbraw/zinc/52/18/93/1202521893.db2.gz SJJXMFBHSOLHMW-MJGOQNOKSA-N 1 0 322.493 3.107 50 0 DGAARO CO[C@@H]1CCC[C@@]12CCC[N@H+](CCOCc1ccccc1)C2 ZINC001704335636 1202521910 /nfs/dbraw/zinc/52/19/10/1202521910.db2.gz CQFDUOZXFWHJJB-MOPGFXCFSA-N 1 0 303.446 3.484 50 0 DGAARO CCOc1ccc(C[N@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)cc1OC ZINC001704350723 1202522725 /nfs/dbraw/zinc/52/27/25/1202522725.db2.gz CYLXJGYUZXZNTB-WNKDZCFJSA-N 1 0 319.445 3.075 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)NCc2ccccc2)C1 ZINC000581807344 1083034480 /nfs/dbraw/zinc/03/44/80/1083034480.db2.gz IADGPMGUFHOVCH-QGZVFWFLSA-N 1 0 324.428 3.226 50 0 DGAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)c2ccoc2)CC1 ZINC000581817011 1083329762 /nfs/dbraw/zinc/32/97/62/1083329762.db2.gz VWLIZJMQZGPHGS-UHFFFAOYSA-N 1 0 315.417 3.289 50 0 DGAARO c1cnn(Cc2cccc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)c2)c1 ZINC000820414918 1091625522 /nfs/dbraw/zinc/62/55/22/1091625522.db2.gz COWDLNFAKPNJJF-GOSISDBHSA-N 1 0 321.428 3.034 50 0 DGAARO Cc1cccc(N2CCC([NH2+][C@H](C)CCn3cccn3)CC2)c1 ZINC000821831573 1091650516 /nfs/dbraw/zinc/65/05/16/1091650516.db2.gz UHBLPZMEBLJDBL-QGZVFWFLSA-N 1 0 312.461 3.229 50 0 DGAARO CC(C)c1ccc(N2CCC(CC[NH+]3CCCC3)CC2)nn1 ZINC000822267698 1091656502 /nfs/dbraw/zinc/65/65/02/1091656502.db2.gz YHLZMIKREUCZOA-UHFFFAOYSA-N 1 0 302.466 3.302 50 0 DGAARO CC[C@@H](C(=O)NCc1c(OC)ccc2ccccc21)[N@H+](C)CC ZINC000822555077 1091664900 /nfs/dbraw/zinc/66/49/00/1091664900.db2.gz KJMBUUGCAFBAGJ-KRWDZBQOSA-N 1 0 314.429 3.195 50 0 DGAARO CC[C@H](Cc1ccco1)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000822620675 1091666816 /nfs/dbraw/zinc/66/68/16/1091666816.db2.gz PTTGRLREWUSXHY-OAHLLOKOSA-N 1 0 306.450 3.227 50 0 DGAARO Cc1nc(CCC[NH+]2CCCCCC2)n(-c2cc(C)ccn2)n1 ZINC000825241256 1091736138 /nfs/dbraw/zinc/73/61/38/1091736138.db2.gz BCQSYJQGKCNVAL-UHFFFAOYSA-N 1 0 313.449 3.088 50 0 DGAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000826584125 1091754471 /nfs/dbraw/zinc/75/44/71/1091754471.db2.gz BAHUTZSGOCUIQD-GOSISDBHSA-N 1 0 316.420 3.316 50 0 DGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H]1CC1(C)C ZINC000827693814 1091776081 /nfs/dbraw/zinc/77/60/81/1091776081.db2.gz RLOWABWCXZGYOO-KRWDZBQOSA-N 1 0 300.446 3.287 50 0 DGAARO Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCCC3)CC2)c1 ZINC000581787795 1092270775 /nfs/dbraw/zinc/27/07/75/1092270775.db2.gz CNWKDHNOFOMPGY-QGZVFWFLSA-N 1 0 300.446 3.333 50 0 DGAARO O=C(c1cc(F)ccc1F)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581788110 1092272449 /nfs/dbraw/zinc/27/24/49/1092272449.db2.gz SWKRHOXLCJTRBD-CQSZACIVSA-N 1 0 322.399 3.303 50 0 DGAARO O=C(Nc1ccccc1)[C@@H]1OCCN(C2CC2)[C@H]1c1ccccc1 ZINC000581801749 1092274772 /nfs/dbraw/zinc/27/47/72/1092274772.db2.gz GQHFZXBZXKGCIV-RBUKOAKNSA-N 1 0 322.408 3.230 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)CCCc1ccccc1 ZINC000581813075 1092277538 /nfs/dbraw/zinc/27/75/38/1092277538.db2.gz VJBWMQVDTHTOTM-UHFFFAOYSA-N 1 0 311.429 3.208 50 0 DGAARO CO[C@@H]1CN(c2cccc(F)c2)C12CC[NH+](C1CCCC1)CC2 ZINC000581812574 1092277978 /nfs/dbraw/zinc/27/79/78/1092277978.db2.gz ZEVXEUGWHIRRED-GOSISDBHSA-N 1 0 318.436 3.438 50 0 DGAARO COc1cccc(C[NH+]2CCC3(CC[C@@H]3OC)CC2)c1OC ZINC000581803768 1092278633 /nfs/dbraw/zinc/27/86/33/1092278633.db2.gz UNZKCXNNFQORQT-INIZCTEOSA-N 1 0 305.418 3.095 50 0 DGAARO COCc1ncc(C)n1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581808026 1092279611 /nfs/dbraw/zinc/27/96/11/1092279611.db2.gz OTHMHUHTSHQLKV-SFHVURJKSA-N 1 0 313.445 3.250 50 0 DGAARO C[N@@H+]1CC/C(=C\C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000585120819 1095018922 /nfs/dbraw/zinc/01/89/22/1095018922.db2.gz NFSDFOWMRJKFPH-GUCAUAJOSA-N 1 0 324.399 3.293 50 0 DGAARO C[C@H](COc1ccccc1)[N@@H+]1CCC[C@H](C(=O)c2cccnc2)C1 ZINC000042976663 1095989078 /nfs/dbraw/zinc/98/90/78/1095989078.db2.gz ONNIKRXCZCFDIY-AEFFLSMTSA-N 1 0 324.424 3.444 50 0 DGAARO C[C@H](C[N@@H+]1CCC[C@H](Cn2ccnc2)C1)n1cnc2ccccc21 ZINC000043135947 1095997158 /nfs/dbraw/zinc/99/71/58/1095997158.db2.gz MZNUFSDPRSYSQX-SJORKVTESA-N 1 0 323.444 3.206 50 0 DGAARO CCOc1cc2c(c(C[NH2+]C3(CCO)CCCC3)c1)O[C@@H](C)C2 ZINC000952845487 1096778272 /nfs/dbraw/zinc/77/82/72/1096778272.db2.gz CROZQHRYJRCPOG-AWEZNQCLSA-N 1 0 319.445 3.194 50 0 DGAARO Cc1cc2[nH]c(C[NH2+][C@H]3CCC(=O)NC34CCC4)cc2c(C)c1 ZINC000952845330 1096778572 /nfs/dbraw/zinc/77/85/72/1096778572.db2.gz UKZQFHUCPMVACW-KRWDZBQOSA-N 1 0 311.429 3.076 50 0 DGAARO COCC[N@@H+]1CCC[C@@H](C[NH2+]CC2=C(C)CCCC2(C)C)C1 ZINC000952868093 1096782023 /nfs/dbraw/zinc/78/20/23/1096782023.db2.gz YGCKITVTFVUQBA-KRWDZBQOSA-N 1 0 308.510 3.461 50 0 DGAARO COc1ccccc1-c1cnnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000952879440 1096785398 /nfs/dbraw/zinc/78/53/98/1096785398.db2.gz QTUHVAGTDGFHJQ-HZPDHXFCSA-N 1 0 324.428 3.191 50 0 DGAARO S=C(Nc1cccc2ccccc21)N[C@@H]1C[NH+]2CCC1CC2 ZINC000005594012 1103856556 /nfs/dbraw/zinc/85/65/56/1103856556.db2.gz NAPCKZRPMNGOMR-QGZVFWFLSA-N 1 0 311.454 3.220 50 0 DGAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2C)cc1OC ZINC000022781822 1104002727 /nfs/dbraw/zinc/00/27/27/1104002727.db2.gz BJWINLJNNDZOHB-ZTFGCOKTSA-N 1 0 305.418 3.002 50 0 DGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2[NH+](C)C)cc1 ZINC000095511841 185376180 /nfs/dbraw/zinc/37/61/80/185376180.db2.gz ZPOTZWXPTFBRMP-VQTJNVASSA-N 1 0 322.452 3.473 50 0 DGAARO [NH3+]CCCNC(=O)C[C@@H](c1ccccc1)c1ccccc1Cl ZINC000095529083 185378517 /nfs/dbraw/zinc/37/85/17/185378517.db2.gz XFHKUIUDWIITDG-INIZCTEOSA-N 1 0 316.832 3.327 50 0 DGAARO C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H]1[NH+](C)C ZINC000078894692 185124190 /nfs/dbraw/zinc/12/41/90/185124190.db2.gz OZBWYDQQGBEAPK-GWCFXTLKSA-N 1 0 306.793 3.108 50 0 DGAARO C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)C[C@H]1[NH+](C)C ZINC000078896672 185124823 /nfs/dbraw/zinc/12/48/23/185124823.db2.gz DROJLFJQKLIIQH-BFUOFWGJSA-N 1 0 323.440 3.134 50 0 DGAARO FC(F)(F)c1c[nH]c([C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)n1 ZINC000278646572 214299953 /nfs/dbraw/zinc/29/99/53/214299953.db2.gz JGJAHMQGZSFPHU-VXGBXAGGSA-N 1 0 315.339 3.301 50 0 DGAARO CN(Cc1ccccn1)C(=O)CC[C@@H](c1ccccc1)[NH+](C)C ZINC000328592733 231234661 /nfs/dbraw/zinc/23/46/61/231234661.db2.gz BGFDVRWBWLKQRB-SFHVURJKSA-N 1 0 311.429 3.123 50 0 DGAARO C[NH+](C)CCNc1cc(Br)cc(C(F)(F)F)c1 ZINC000088188213 185241238 /nfs/dbraw/zinc/24/12/38/185241238.db2.gz NXJCOXGMGAEDOL-UHFFFAOYSA-N 1 0 311.145 3.441 50 0 DGAARO c1cc(C[NH+]2CCC(n3cc(-c4ccccc4)nn3)CC2)co1 ZINC000082039355 192354009 /nfs/dbraw/zinc/35/40/09/192354009.db2.gz KNYHSOIUSJDQOG-UHFFFAOYSA-N 1 0 308.385 3.375 50 0 DGAARO COc1cc(C[NH2+][C@H](CN(C)C)c2ccccc2)cc(OC)c1 ZINC000096971433 185394730 /nfs/dbraw/zinc/39/47/30/185394730.db2.gz AJPGNIGEUQHKEO-LJQANCHMSA-N 1 0 314.429 3.096 50 0 DGAARO CCc1[nH]nc(NC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)c1C ZINC000082039654 192353806 /nfs/dbraw/zinc/35/38/06/192353806.db2.gz JPHLXXNXDWWITF-LLVKDONJSA-N 1 0 304.419 3.019 50 0 DGAARO CC1(C)Cc2cc(C[NH+]3CCC(n4ccnc4)CC3)ccc2O1 ZINC000092648578 185331474 /nfs/dbraw/zinc/33/14/74/185331474.db2.gz YKPQKAPIYMDUHZ-UHFFFAOYSA-N 1 0 311.429 3.434 50 0 DGAARO CC(C)(C)[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000095400336 185354060 /nfs/dbraw/zinc/35/40/60/185354060.db2.gz AZULOVQUFNNFDQ-GDBMZVCRSA-N 1 0 319.449 3.247 50 0 DGAARO CC(C)(C)OC(=O)CCC[NH2+]Cc1cccc2cccnc21 ZINC000095405183 185355836 /nfs/dbraw/zinc/35/58/36/185355836.db2.gz LUPBOQPQTZSLKM-UHFFFAOYSA-N 1 0 300.402 3.446 50 0 DGAARO CCCc1ncc(C[NH2+]Cc2ccc(C3OCCO3)cc2)s1 ZINC000095414136 185358549 /nfs/dbraw/zinc/35/85/49/185358549.db2.gz VQXRNJULQXUSCB-UHFFFAOYSA-N 1 0 318.442 3.431 50 0 DGAARO COCCC1(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)CCC1 ZINC000095415597 185358779 /nfs/dbraw/zinc/35/87/79/185358779.db2.gz SZKVWAMWRDIEIF-UHFFFAOYSA-N 1 0 308.397 3.033 50 0 DGAARO Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000095418311 185359459 /nfs/dbraw/zinc/35/94/59/185359459.db2.gz SQFQXDXUSPEOHV-WFASDCNBSA-N 1 0 309.841 3.452 50 0 DGAARO C[C@H](NC1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000095419516 185359717 /nfs/dbraw/zinc/35/97/17/185359717.db2.gz KXXHGIJZLUENBY-JTQLQIEISA-N 1 0 315.230 3.333 50 0 DGAARO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccccn1 ZINC000095419140 185359746 /nfs/dbraw/zinc/35/97/46/185359746.db2.gz IKUGWPNKKYNYIC-OAHLLOKOSA-N 1 0 311.429 3.193 50 0 DGAARO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC000095420514 185360150 /nfs/dbraw/zinc/36/01/50/185360150.db2.gz STLKUDJDLBPOJR-VXGBXAGGSA-N 1 0 304.356 3.377 50 0 DGAARO c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000095425997 185361828 /nfs/dbraw/zinc/36/18/28/185361828.db2.gz MPVQXOWPHVXIMM-SJLPKXTDSA-N 1 0 314.454 3.379 50 0 DGAARO C[NH+](C)CCSc1ccc(NCc2ccc(CO)o2)cc1 ZINC000095429117 185362623 /nfs/dbraw/zinc/36/26/23/185362623.db2.gz 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/nfs/dbraw/zinc/00/76/49/432007649.db2.gz URJVYSQNOUQLOB-UHFFFAOYSA-N 1 0 303.450 3.086 50 0 DGAARO CC1(C)[C@H]([NH2+]Cc2ccccc2OCCO)[C@@H]2CCCC[C@@H]21 ZINC000097019969 185398226 /nfs/dbraw/zinc/39/82/26/185398226.db2.gz YQTRMFURLKUSQT-SOLBZPMBSA-N 1 0 303.446 3.362 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccccc1)c1ccsc1 ZINC000097026858 185398749 /nfs/dbraw/zinc/39/87/49/185398749.db2.gz UJGYAUDYSUBAFK-HLRDLLSLSA-N 1 0 300.427 3.180 50 0 DGAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(OC)c(-c3ccccc3)c2)C1 ZINC000299738537 530005022 /nfs/dbraw/zinc/00/50/22/530005022.db2.gz CBBJUOQDJCGXAK-OAHLLOKOSA-N 1 0 324.424 3.044 50 0 DGAARO Cc1c(C[N@H+](C)C2CCN(c3ccccc3C)CC2)cnn1C ZINC000065535802 432012219 /nfs/dbraw/zinc/01/22/19/432012219.db2.gz IUAGDAPDBWCLGY-UHFFFAOYSA-N 1 0 312.461 3.138 50 0 DGAARO Cc1ccccc1CN1CC[N@@H+](C2CCCCC2)C[C@H]1CCO ZINC000104303139 432016630 /nfs/dbraw/zinc/01/66/30/432016630.db2.gz NDHCZVOYFYRIFE-HXUWFJFHSA-N 1 0 316.489 3.196 50 0 DGAARO Cc1ccccc1SCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071416408 190967703 /nfs/dbraw/zinc/96/77/03/190967703.db2.gz NWQDXAIDHIPARQ-UHFFFAOYSA-N 1 0 318.486 3.079 50 0 DGAARO CCn1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cn1 ZINC000083843574 192384918 /nfs/dbraw/zinc/38/49/18/192384918.db2.gz UALRWTJEZFIUCU-CQSZACIVSA-N 1 0 309.417 3.248 50 0 DGAARO CC[C@H]1C[N@H+](CC2CCC2)CCC(=O)N1Cc1ccccc1 ZINC000071761021 191026773 /nfs/dbraw/zinc/02/67/73/191026773.db2.gz DCDMHLQGUGYBTL-SFHVURJKSA-N 1 0 300.446 3.300 50 0 DGAARO CCCNc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000071765401 191027876 /nfs/dbraw/zinc/02/78/76/191027876.db2.gz WGWDYIYZLXFYRD-UHFFFAOYSA-N 1 0 315.461 3.114 50 0 DGAARO CC(C)[C@H]1CN(Cc2cncn2C(C)C)CCC[N@@H+]1CC1CC1 ZINC000071763855 191028141 /nfs/dbraw/zinc/02/81/41/191028141.db2.gz GSFVDOFMHVYHDG-LJQANCHMSA-N 1 0 318.509 3.406 50 0 DGAARO COc1ccc2[nH]c(C[NH+]3CC(c4ccncc4)C3)c(C)c2c1 ZINC000072122354 191040480 /nfs/dbraw/zinc/04/04/80/191040480.db2.gz YLGZDJAVWGSBHM-UHFFFAOYSA-N 1 0 307.397 3.479 50 0 DGAARO CCn1cc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072151606 191055915 /nfs/dbraw/zinc/05/59/15/191055915.db2.gz GUAVWIPSCYROOW-OAHLLOKOSA-N 1 0 323.444 3.234 50 0 DGAARO Cc1ccsc1CCNC(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072150742 191056393 /nfs/dbraw/zinc/05/63/93/191056393.db2.gz IGFBGGGCRBJYOF-AWEZNQCLSA-N 1 0 314.454 3.106 50 0 DGAARO CCN(Cc1ccc2[nH]ccc2c1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000225628239 186285261 /nfs/dbraw/zinc/28/52/61/186285261.db2.gz QXIMMUXCKOIXTL-SFHVURJKSA-N 1 0 311.429 3.143 50 0 DGAARO Cc1cccc([C@@H]2CCC[N@@H+]2CCCO[C@H]2CCCCO2)n1 ZINC000253392366 186303141 /nfs/dbraw/zinc/30/31/41/186303141.db2.gz HKFDXHPTARZRGT-ROUUACIJSA-N 1 0 304.434 3.460 50 0 DGAARO CC(=O)Nc1cccnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253408176 186308540 /nfs/dbraw/zinc/30/85/40/186308540.db2.gz KMBVPSAKJGVPGD-GOEBONIOSA-N 1 0 319.474 3.397 50 0 biogenic DGAARO CC(C)(O)CCc1ccc(C[NH+]2CC(c3cccnc3)C2)cc1 ZINC000072428722 191161509 /nfs/dbraw/zinc/16/15/09/191161509.db2.gz MYEPPRQDDAAGSO-UHFFFAOYSA-N 1 0 310.441 3.385 50 0 DGAARO CC(C)=CC(=O)NC[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000067472957 432031789 /nfs/dbraw/zinc/03/17/89/432031789.db2.gz VNERTLUMHUIZJQ-MRXNPFEDSA-N 1 0 323.440 3.139 50 0 DGAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000067571749 432033200 /nfs/dbraw/zinc/03/32/00/432033200.db2.gz YGENYCGJRDBUKN-AWEZNQCLSA-N 1 0 317.458 3.300 50 0 DGAARO Cc1nc(Cl)cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000107539165 432033649 /nfs/dbraw/zinc/03/36/49/432033649.db2.gz CDCLRFAWJNZEKQ-CJNGLKHVSA-N 1 0 302.809 3.296 50 0 DGAARO CC[NH+](CC)CCn1ccnc1-c1c(Cl)nc2sccn21 ZINC000067674648 432034479 /nfs/dbraw/zinc/03/44/79/432034479.db2.gz GFSGQWNQZPUZRX-UHFFFAOYSA-N 1 0 323.853 3.255 50 0 DGAARO COc1ccc(Cl)c(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1F ZINC000067689265 432034997 /nfs/dbraw/zinc/03/49/97/432034997.db2.gz OTZYRKGFNSFZRC-NWDGAFQWSA-N 1 0 312.816 3.156 50 0 DGAARO CC/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2C)C1 ZINC000067692781 432035625 /nfs/dbraw/zinc/03/56/25/432035625.db2.gz NBZFXECOZBDKMG-CQMBDMNQSA-N 1 0 316.445 3.109 50 0 DGAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccccc1Br ZINC000003314832 181003854 /nfs/dbraw/zinc/00/38/54/181003854.db2.gz IFQMPBHWWXUCSO-LLVKDONJSA-N 1 0 314.223 3.336 50 0 DGAARO C[C@@H](CCc1ccccc1)[NH2+]CCNC(=O)c1cccs1 ZINC000004498189 181116000 /nfs/dbraw/zinc/11/60/00/181116000.db2.gz WMOLIDUEDBXBTA-AWEZNQCLSA-N 1 0 302.443 3.089 50 0 DGAARO Cc1ccc(-c2n[nH]cc2C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000004678984 181136184 /nfs/dbraw/zinc/13/61/84/181136184.db2.gz SIIBSJGPWNEQMR-UHFFFAOYSA-N 1 0 321.424 3.380 50 0 DGAARO [NH2+]=C(c1ccc(F)cc1)n1c2ccccc2nc1CCCCO ZINC000004704107 181139955 /nfs/dbraw/zinc/13/99/55/181139955.db2.gz JKHPUWMARCVDBP-UHFFFAOYSA-N 1 0 311.360 3.364 50 0 DGAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)COc1ccccc1 ZINC000004723159 181142209 /nfs/dbraw/zinc/14/22/09/181142209.db2.gz HRYVAVKEGWKLRR-INIZCTEOSA-N 1 0 313.397 3.129 50 0 DGAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000004725485 181143196 /nfs/dbraw/zinc/14/31/96/181143196.db2.gz ZWRKEFRBUMLBJJ-UHFFFAOYSA-N 1 0 300.446 3.220 50 0 DGAARO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000004744628 181146029 /nfs/dbraw/zinc/14/60/29/181146029.db2.gz SWWAYZZLBLKRTF-OKILXGFUSA-N 1 0 320.433 3.010 50 0 DGAARO COc1ccc(C)cc1NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000067783857 432040821 /nfs/dbraw/zinc/04/08/21/432040821.db2.gz PWJBJFKIKBAICT-HNNXBMFYSA-N 1 0 319.449 3.246 50 0 DGAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000004745001 181147078 /nfs/dbraw/zinc/14/70/78/181147078.db2.gz ZIMVRNMKAUSOED-IBGZPJMESA-N 1 0 314.473 3.474 50 0 DGAARO CCCc1nc(C)c(C[NH2+]C2CSCCSC2)s1 ZINC000067833332 432042837 /nfs/dbraw/zinc/04/28/37/432042837.db2.gz QUVFLSPKRQNOMC-UHFFFAOYSA-N 1 0 302.534 3.342 50 0 DGAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCC(C)CC1)c(C)n2C ZINC000004817430 181156144 /nfs/dbraw/zinc/15/61/44/181156144.db2.gz GLDCPCMYANVTJM-GOSISDBHSA-N 1 0 316.445 3.261 50 0 DGAARO OCC[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067884388 432045184 /nfs/dbraw/zinc/04/51/84/432045184.db2.gz YLIITGDCUNBGLF-UHFFFAOYSA-N 1 0 320.392 3.359 50 0 DGAARO C[C@@H](C[NH+]1CCCCCC1)NCc1noc(C2CCCC2)n1 ZINC000067879747 432045823 /nfs/dbraw/zinc/04/58/23/432045823.db2.gz XHOIQCHTOHEGJI-AWEZNQCLSA-N 1 0 306.454 3.081 50 0 DGAARO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000004983455 181184267 /nfs/dbraw/zinc/18/42/67/181184267.db2.gz GSFMLVZWAFBUOF-UHFFFAOYSA-N 1 0 323.440 3.253 50 0 DGAARO CC(=O)NC[C@@H]1CC[N@H+](Cc2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000067934483 432046338 /nfs/dbraw/zinc/04/63/38/432046338.db2.gz YKYDVJQYYGZCPP-ZDUSSCGKSA-N 1 0 319.836 3.088 50 0 DGAARO COCC(=O)N1CCC[C@]2(CC[N@@H+](C3CCCCCCC3)C2)C1 ZINC000067955406 432047542 /nfs/dbraw/zinc/04/75/42/432047542.db2.gz HXCMKTXLVKOOBL-LJQANCHMSA-N 1 0 322.493 3.060 50 0 DGAARO COc1ccc2[nH]c(C)c(C(=O)C[N@@H+]3CCC[C@@H](C)C3)c2c1 ZINC000005024921 181192230 /nfs/dbraw/zinc/19/22/30/181192230.db2.gz WFBMUBMHEDJCGU-GFCCVEGCSA-N 1 0 300.402 3.400 50 0 DGAARO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)NC(C)C)C2)cc1C ZINC000067974996 432047798 /nfs/dbraw/zinc/04/77/98/432047798.db2.gz WJWBWCJGZFVDHT-GOSISDBHSA-N 1 0 317.477 3.223 50 0 DGAARO CCCc1cc(NCC[NH+](C)C)n2ncc(-c3ccccc3)c2n1 ZINC000005272410 181225037 /nfs/dbraw/zinc/22/50/37/181225037.db2.gz QANWGQFQSKFGDG-UHFFFAOYSA-N 1 0 323.444 3.322 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000005345335 181232178 /nfs/dbraw/zinc/23/21/78/181232178.db2.gz JIWJUFBYJVGTGE-CYBMUJFWSA-N 1 0 305.809 3.035 50 0 DGAARO Cc1ccccc1C1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCCC1 ZINC000178533689 198884299 /nfs/dbraw/zinc/88/42/99/198884299.db2.gz KBSDXOGERUQHJZ-INIZCTEOSA-N 1 0 300.446 3.004 50 0 DGAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 ZINC000178986126 198964004 /nfs/dbraw/zinc/96/40/04/198964004.db2.gz RHYZCLVQZPGSOL-QRGHLMKCSA-N 1 0 313.228 3.075 50 0 DGAARO CC[C@@H]1CCCN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000170592333 432072851 /nfs/dbraw/zinc/07/28/51/432072851.db2.gz YKNZDKHEXYCJMZ-YYIAUSFCSA-N 1 0 309.498 3.184 50 0 DGAARO CCC1CCC(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000170626540 432074550 /nfs/dbraw/zinc/07/45/50/432074550.db2.gz XXSSINQXBTUDRY-OTBWCIGPSA-N 1 0 307.482 3.081 50 0 DGAARO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F ZINC000180885374 199223130 /nfs/dbraw/zinc/22/31/30/199223130.db2.gz CPZSNSDNYQBBFN-STQMWFEESA-N 1 0 318.314 3.030 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2c(F)cccc2Cl)N1 ZINC000005072123 283409751 /nfs/dbraw/zinc/40/97/51/283409751.db2.gz NFVLGLPQRLGGLL-CYBMUJFWSA-N 1 0 315.739 3.116 50 0 DGAARO Cc1c(NC(=O)[C@@H]2CCCC[NH2+]2)cccc1OCC(F)(F)F ZINC000237625975 202309657 /nfs/dbraw/zinc/30/96/57/202309657.db2.gz VMKAGVDWSHQENW-LBPRGKRZSA-N 1 0 316.323 3.017 50 0 DGAARO C[C@H]1CCCN(C(=O)c2cnc(-c3cccs3)s2)[C@@H]1C[NH3+] ZINC000237659913 202321491 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C[C@H](CC[NH+]1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000019782086 182148217 /nfs/dbraw/zinc/14/82/17/182148217.db2.gz AFPYBAZYYZPZDU-GOSISDBHSA-N 1 0 309.457 3.393 50 0 DGAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCCCC1 ZINC000020100463 182187102 /nfs/dbraw/zinc/18/71/02/182187102.db2.gz WGGZMFFWMFIHTA-UHFFFAOYSA-N 1 0 304.409 3.050 50 0 DGAARO CN1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CCO ZINC000020452712 182218835 /nfs/dbraw/zinc/21/88/35/182218835.db2.gz HMCDELBJUPZUSD-INIZCTEOSA-N 1 0 324.424 3.084 50 0 DGAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccn3)cc2)C1 ZINC000020487702 182223797 /nfs/dbraw/zinc/22/37/97/182223797.db2.gz SIBKPXNZLCCSCP-MRXNPFEDSA-N 1 0 323.440 3.244 50 0 DGAARO Cc1ccccc1-c1ccc(C[N@H+]2CCN(C)[C@@H](CCO)C2)cc1 ZINC000020535446 182228008 /nfs/dbraw/zinc/22/80/08/182228008.db2.gz LOZMAUVVWDBWMB-FQEVSTJZSA-N 1 0 324.468 3.160 50 0 DGAARO CC(C)CC[C@H](CC[NH2+]CCN(C)C)c1ccc2c(c1)OCO2 ZINC000020533170 182228103 /nfs/dbraw/zinc/22/81/03/182228103.db2.gz AEEKWZABLTYSCB-MRXNPFEDSA-N 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VNNJNIKBADQUSB-SFHVURJKSA-N 1 0 318.436 3.439 50 0 DGAARO CC[NH+](CC)CCNc1nc(C)nc2sc3c(c21)CCC3 ZINC000028165934 182509605 /nfs/dbraw/zinc/50/96/05/182509605.db2.gz JXIULHSFGWBMKL-UHFFFAOYSA-N 1 0 304.463 3.242 50 0 DGAARO c1csc([C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190278824 432138275 /nfs/dbraw/zinc/13/82/75/432138275.db2.gz TUOJWYMQHMVNJY-HNNXBMFYSA-N 1 0 323.458 3.055 50 0 DGAARO COc1ccc2[nH]c(C)c(CC[N@@H+]3CCC(=O)[C@@H](C)[C@H]3C)c2c1 ZINC000039211848 183015183 /nfs/dbraw/zinc/01/51/83/183015183.db2.gz JTJYSWCGATUTFK-GXTWGEPZSA-N 1 0 314.429 3.327 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000040107598 183036293 /nfs/dbraw/zinc/03/62/93/183036293.db2.gz USLIWNFTHRLLND-VXGBXAGGSA-N 1 0 312.816 3.187 50 0 DGAARO Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)o1 ZINC000040461957 183070778 /nfs/dbraw/zinc/07/07/78/183070778.db2.gz RNYQIGXTMLCDDR-MRXNPFEDSA-N 1 0 304.365 3.068 50 0 DGAARO Cc1ccc(O[C@@H](C)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000041297629 183184392 /nfs/dbraw/zinc/18/43/92/183184392.db2.gz WDSATKZLTKEDHR-INIZCTEOSA-N 1 0 318.461 3.143 50 0 DGAARO C[NH+](C)CCNC(=S)Nc1ccc2c(c1)oc1ccccc12 ZINC000042788577 183309298 /nfs/dbraw/zinc/30/92/98/183309298.db2.gz OTXJTDHWPVHKBQ-UHFFFAOYSA-N 1 0 313.426 3.434 50 0 DGAARO C[C@@H](CNC(=O)c1cc2ccccc2o1)[N@@H+]1CCCC[C@H]1C ZINC000043084655 183335423 /nfs/dbraw/zinc/33/54/23/183335423.db2.gz ZUGQEPOSIZPEGS-KGLIPLIRSA-N 1 0 300.402 3.426 50 0 DGAARO CN1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1CCO ZINC000104358777 194002595 /nfs/dbraw/zinc/00/25/95/194002595.db2.gz HMCDELBJUPZUSD-MRXNPFEDSA-N 1 0 324.424 3.084 50 0 DGAARO C[C@H]1CCC[C@@]2(C1)NCC[NH+]=C2NCc1ccccc1Cl ZINC000046153201 183555082 /nfs/dbraw/zinc/55/50/82/183555082.db2.gz NYRNSSHXCMXDEM-GUYCJALGSA-N 1 0 305.853 3.380 50 0 biogenic DGAARO COc1ccc2oc(C[NH2+][C@H]3CCO[C@@H]3c3cccnc3)cc2c1 ZINC000284936459 218242234 /nfs/dbraw/zinc/24/22/34/218242234.db2.gz JENLJSQUMHZBLK-PKOBYXMFSA-N 1 0 324.380 3.456 50 0 DGAARO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H](C)C2)c1 ZINC000106123434 194188268 /nfs/dbraw/zinc/18/82/68/194188268.db2.gz YYKCVKUINFMAOF-SJLPKXTDSA-N 1 0 300.446 3.390 50 0 DGAARO C[C@H](CCc1ccccc1)CC(=O)N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000106578289 194232291 /nfs/dbraw/zinc/23/22/91/194232291.db2.gz NNAFXOAKLKUCHA-SOLBZPMBSA-N 1 0 302.462 3.102 50 0 DGAARO Cc1ccc(C[NH2+][C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000050225375 183778578 /nfs/dbraw/zinc/77/85/78/183778578.db2.gz PLEYYHQBFZRUOA-QGZVFWFLSA-N 1 0 300.471 3.463 50 0 DGAARO CCC[NH+]1CCC(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000053371390 183899802 /nfs/dbraw/zinc/89/98/02/183899802.db2.gz XPLAMQGZVKHODZ-RHSMWYFYSA-N 1 0 318.461 3.326 50 0 DGAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000058029296 184070015 /nfs/dbraw/zinc/07/00/15/184070015.db2.gz SIOJXURDYXCQRR-ZHALLVOQSA-N 1 0 314.473 3.483 50 0 DGAARO C[NH+](C)CCSc1nc(C(F)(F)F)nc2ccccc21 ZINC000058055308 184071902 /nfs/dbraw/zinc/07/19/02/184071902.db2.gz YCAMMWWKHXIJQE-UHFFFAOYSA-N 1 0 301.337 3.302 50 0 DGAARO O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058060297 184072302 /nfs/dbraw/zinc/07/23/02/184072302.db2.gz NQWAVSOODRIHCM-HNNXBMFYSA-N 1 0 307.825 3.432 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000058377802 184110116 /nfs/dbraw/zinc/11/01/16/184110116.db2.gz WXQWJMIEGZNVSK-ZDUSSCGKSA-N 1 0 324.852 3.098 50 0 DGAARO COc1ccccc1-c1ccccc1C(=O)NC[C@H](C)[NH+](C)C ZINC000058377634 184110291 /nfs/dbraw/zinc/11/02/91/184110291.db2.gz NINMEURMFHMIFI-AWEZNQCLSA-N 1 0 312.413 3.042 50 0 DGAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1OC ZINC000058247658 184095063 /nfs/dbraw/zinc/09/50/63/184095063.db2.gz WVHDUJJUYMUGJJ-OAHLLOKOSA-N 1 0 321.804 3.180 50 0 DGAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccs1 ZINC000058289254 184100525 /nfs/dbraw/zinc/10/05/25/184100525.db2.gz FKMXJRHFIMTLHZ-CYBMUJFWSA-N 1 0 320.483 3.452 50 0 DGAARO C[NH+]1CCC(CCNC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000058308998 184103925 /nfs/dbraw/zinc/10/39/25/184103925.db2.gz BIRHOAPVDKFBRE-UHFFFAOYSA-N 1 0 313.804 3.333 50 0 DGAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)SCc2ccccc2)C1 ZINC000063706301 184286750 /nfs/dbraw/zinc/28/67/50/184286750.db2.gz DNZVXGONVCXJPT-DOTOQJQBSA-N 1 0 320.502 3.155 50 0 DGAARO CCC[NH+]1CCC(N[C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000065387252 184333779 /nfs/dbraw/zinc/33/37/79/184333779.db2.gz KXIXCOVZWOJXOG-LJQANCHMSA-N 1 0 312.461 3.088 50 0 DGAARO Cc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000065260905 184319127 /nfs/dbraw/zinc/31/91/27/184319127.db2.gz FXQKLJFGBGTUDV-AZUAARDMSA-N 1 0 322.452 3.476 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000065362919 184328524 /nfs/dbraw/zinc/32/85/24/184328524.db2.gz NIMOEAKSIQCWGW-UHFFFAOYSA-N 1 0 316.426 3.473 50 0 DGAARO Cc1ccc([C@@H](C)Nc2nc(CC[NH3+])nc3ccccc32)cn1 ZINC000065371855 184329956 /nfs/dbraw/zinc/32/99/56/184329956.db2.gz BHVSAMLEHQUGOL-CYBMUJFWSA-N 1 0 307.401 3.008 50 0 DGAARO OCc1ccc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)o1 ZINC000065375139 184331301 /nfs/dbraw/zinc/33/13/01/184331301.db2.gz NCHFHYIEZVIYBU-AWEZNQCLSA-N 1 0 319.376 3.202 50 0 DGAARO c1coc(C[N@@H+]2CCC[C@H](c3nnc(Cc4ccccc4)[nH]3)C2)c1 ZINC000065381581 184332021 /nfs/dbraw/zinc/33/20/21/184332021.db2.gz FSLLFJMKQRXOKI-INIZCTEOSA-N 1 0 322.412 3.368 50 0 DGAARO CC[C@H]([NH2+]CCc1nc(C)c(C)s1)C(=O)Nc1ccccc1 ZINC000065383506 184332494 /nfs/dbraw/zinc/33/24/94/184332494.db2.gz JRZPFUIZAXAOJG-HNNXBMFYSA-N 1 0 317.458 3.309 50 0 DGAARO C[C@H](CCc1ccccc1)[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000065382975 184332585 /nfs/dbraw/zinc/33/25/85/184332585.db2.gz KJUFJKLNIGBMSM-OAHLLOKOSA-N 1 0 321.424 3.077 50 0 DGAARO COc1ccc(F)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000065408850 184339130 /nfs/dbraw/zinc/33/91/30/184339130.db2.gz HDCNQXDKFOQTEB-LBPRGKRZSA-N 1 0 312.816 3.158 50 0 DGAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000065422143 184341759 /nfs/dbraw/zinc/34/17/59/184341759.db2.gz FCOYAFLDMBRDJL-SFHVURJKSA-N 1 0 306.413 3.495 50 0 DGAARO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(F)cc(F)c1 ZINC000065426500 184342620 /nfs/dbraw/zinc/34/26/20/184342620.db2.gz MTICKOZNNRHTGL-GFCCVEGCSA-N 1 0 310.388 3.454 50 0 DGAARO C[NH+]1CCC(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000065439834 184345353 /nfs/dbraw/zinc/34/53/53/184345353.db2.gz NXSUIHQFHFGGRC-UHFFFAOYSA-N 1 0 319.302 3.060 50 0 DGAARO CC(C)(C)n1cc(C2=CCN(CC[NH+]3CCCCC3)CC2)cn1 ZINC000065460959 184348930 /nfs/dbraw/zinc/34/89/30/184348930.db2.gz YAVHZPMFQJPWJD-UHFFFAOYSA-N 1 0 316.493 3.213 50 0 DGAARO CCc1nc(C)sc1C[N@@H+]1CCC=C(C[C@H](C)NC(C)=O)C1 ZINC000065397194 184336015 /nfs/dbraw/zinc/33/60/15/184336015.db2.gz GOSXNKGMKKETJM-LBPRGKRZSA-N 1 0 321.490 3.061 50 0 DGAARO COc1cc(CC[C@@H](C)[NH2+]Cc2c(C)noc2C)ccc1O ZINC000065526863 184359824 /nfs/dbraw/zinc/35/98/24/184359824.db2.gz YLPQGABUOUDNFU-LLVKDONJSA-N 1 0 304.390 3.117 50 0 DGAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000065501019 184355705 /nfs/dbraw/zinc/35/57/05/184355705.db2.gz LDPKRKJOLOZCAO-CQSZACIVSA-N 1 0 300.358 3.357 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Cl)cc21)C1CCC1 ZINC000156934906 197150949 /nfs/dbraw/zinc/15/09/49/197150949.db2.gz BIDHQTVRQJGVNN-YGRLFVJLSA-N 1 0 313.850 3.337 50 0 DGAARO Cc1nc(-c2cccc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)c2)cs1 ZINC000237527297 257238386 /nfs/dbraw/zinc/23/83/86/257238386.db2.gz FCJDURBDYBHKMR-NHYWBVRUSA-N 1 0 315.442 3.070 50 0 DGAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1cccc(Cl)c1Cl ZINC000237490806 257238643 /nfs/dbraw/zinc/23/86/43/257238643.db2.gz WDTNZYDVJVCJCW-JQWIXIFHSA-N 1 0 315.244 3.264 50 0 DGAARO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000237430173 257238828 /nfs/dbraw/zinc/23/88/28/257238828.db2.gz BLMUKETVDQKDRS-ZWNOBZJWSA-N 1 0 307.463 3.061 50 0 DGAARO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000236737957 257239497 /nfs/dbraw/zinc/23/94/97/257239497.db2.gz MYVNOFBISYAMMY-XHSDSOJGSA-N 1 0 318.461 3.224 50 0 DGAARO C[N@@H+]1CC[C@@H](Nc2nc3ccccc3c(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000278806931 257256973 /nfs/dbraw/zinc/25/69/73/257256973.db2.gz RUEVDGYHHAIWON-SJORKVTESA-N 1 0 320.396 3.193 50 0 DGAARO CCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071762767 257270452 /nfs/dbraw/zinc/27/04/52/257270452.db2.gz IRQVRVSXSWYVHV-QGZVFWFLSA-N 1 0 321.440 3.088 50 0 DGAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2cccs2)nc1C ZINC000121845223 195360427 /nfs/dbraw/zinc/36/04/27/195360427.db2.gz ZDZAJEPKFHLRSB-UHFFFAOYSA-N 1 0 317.458 3.190 50 0 DGAARO O=S1CCC([NH2+]C[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000067805540 296494961 /nfs/dbraw/zinc/49/49/61/296494961.db2.gz QDXKSNALSBJCRZ-WBTXTPOCSA-N 1 0 305.487 3.461 50 0 DGAARO c1ccc(C2(C[NH2+]C3CSCCSC3)CCOCC2)cc1 ZINC000584887981 400120418 /nfs/dbraw/zinc/12/04/18/400120418.db2.gz BMYFEYPQXWLNQL-UHFFFAOYSA-N 1 0 323.527 3.173 50 0 DGAARO CCN1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2C)CC1 ZINC000584888077 400120683 /nfs/dbraw/zinc/12/06/83/400120683.db2.gz GCJFAVQUXBYWGF-IBGZPJMESA-N 1 0 315.505 3.428 50 0 DGAARO C[C@@H](C[NH+]1CCCCCC1)NCc1ccccc1-n1ccnc1 ZINC000584885172 400120998 /nfs/dbraw/zinc/12/09/98/400120998.db2.gz JTFDVXZWOJJVAT-KRWDZBQOSA-N 1 0 312.461 3.226 50 0 DGAARO CCC1(CO)CC[NH+](Cc2c(C)cc(C)c(CO)c2C)CC1 ZINC000584889650 400121942 /nfs/dbraw/zinc/12/19/42/400121942.db2.gz UKDKULXRQGHGOR-UHFFFAOYSA-N 1 0 305.462 3.089 50 0 DGAARO c1[nH]nc(-c2ccccc2)c1C[NH2+]C1CSCCSC1 ZINC000584901955 400124613 /nfs/dbraw/zinc/12/46/13/400124613.db2.gz YXYLQCGDKLLVJJ-UHFFFAOYSA-N 1 0 305.472 3.015 50 0 DGAARO C[C@H](C[C@H](C)SC1CCCC1)[NH2+][C@H]1CCc2ncnn2C1 ZINC000585135078 400126967 /nfs/dbraw/zinc/12/69/67/400126967.db2.gz WOGFOGIGIULZOD-RDBSUJKOSA-N 1 0 308.495 3.025 50 0 DGAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092071625 400152171 /nfs/dbraw/zinc/15/21/71/400152171.db2.gz SJURZQBLETTZGX-INIZCTEOSA-N 1 0 321.428 3.283 50 0 DGAARO CC[NH+](CC)CCNc1cc(C)c2c(OC)ccc(OC)c2n1 ZINC000023550084 400210127 /nfs/dbraw/zinc/21/01/27/400210127.db2.gz XUCHNTBSPPVGFU-UHFFFAOYSA-N 1 0 317.433 3.314 50 0 DGAARO c1cn(-c2cc(C[NH2+]C3CC(c4ccccc4)C3)ccn2)cn1 ZINC000097371107 400284344 /nfs/dbraw/zinc/28/43/44/400284344.db2.gz YKKFVGASHNOTQQ-UHFFFAOYSA-N 1 0 304.397 3.303 50 0 DGAARO c1ccc([C@H]([NH2+]C2CCC3(CC2)OCCO3)c2ccncc2)cc1 ZINC000097233877 400284541 /nfs/dbraw/zinc/28/45/41/400284541.db2.gz YJVSWYATCJHFGQ-IBGZPJMESA-N 1 0 324.424 3.446 50 0 DGAARO C[C@@H]1CN(c2nccnc2F)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404305497 400295758 /nfs/dbraw/zinc/29/57/58/400295758.db2.gz HSZGCGJVCXSEOP-QLFBSQMISA-N 1 0 314.408 3.103 50 0 DGAARO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000104944676 400317260 /nfs/dbraw/zinc/31/72/60/400317260.db2.gz KEBAPRFIXXQEHM-UHFFFAOYSA-N 1 0 321.424 3.138 50 0 DGAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)c1cccnc1 ZINC000106909206 400332478 /nfs/dbraw/zinc/33/24/78/400332478.db2.gz KGYSGEAUBFJHIR-HYVNUMGLSA-N 1 0 301.434 3.008 50 0 DGAARO CCn1c2ccc(F)cc2nc1C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000070018039 400351816 /nfs/dbraw/zinc/35/18/16/400351816.db2.gz RUMYZRYSMCYEJT-OLZOCXBDSA-N 1 0 315.396 3.131 50 0 DGAARO COc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(F)c2)cc1C ZINC000071847271 400370599 /nfs/dbraw/zinc/37/05/99/400370599.db2.gz TUAPQKYNRSNNGY-UHFFFAOYSA-N 1 0 317.364 3.288 50 0 DGAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)c1cccnc1 ZINC000072268634 400376897 /nfs/dbraw/zinc/37/68/97/400376897.db2.gz KGYSGEAUBFJHIR-USXIJHARSA-N 1 0 301.434 3.008 50 0 DGAARO CC(C)Cc1nnc([C@@H](C)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000072275449 400377249 /nfs/dbraw/zinc/37/72/49/400377249.db2.gz AKQOHDXXYQRQNJ-OAHLLOKOSA-N 1 0 320.481 3.279 50 0 DGAARO CN1CC[NH+](CCCCOc2ccccc2C(C)(C)C)CC1 ZINC000039931891 400399375 /nfs/dbraw/zinc/39/93/75/400399375.db2.gz NJFLOJDGJLHVEL-UHFFFAOYSA-N 1 0 304.478 3.391 50 0 DGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000076066682 400630645 /nfs/dbraw/zinc/63/06/45/400630645.db2.gz GBRDOPUOFHAYIX-OAHLLOKOSA-N 1 0 321.469 3.029 50 0 DGAARO CSc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000077201228 400694586 /nfs/dbraw/zinc/69/45/86/400694586.db2.gz NXRZPARGINYJSK-AWEZNQCLSA-N 1 0 305.447 3.111 50 0 DGAARO COc1cccc(F)c1[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000156054804 400706949 /nfs/dbraw/zinc/70/69/49/400706949.db2.gz GMNFOEDVEIYUHV-GFCCVEGCSA-N 1 0 309.381 3.171 50 0 DGAARO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc(Cl)cn1 ZINC000078664126 400817424 /nfs/dbraw/zinc/81/74/24/400817424.db2.gz DAMMBFGWLWZLTM-SNPRPXQTSA-N 1 0 309.841 3.036 50 0 DGAARO O=C(c1cccc(O)c1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000170593540 400763944 /nfs/dbraw/zinc/76/39/44/400763944.db2.gz KKUDEYQVVLOHEI-UHFFFAOYSA-N 1 0 322.408 3.191 50 0 DGAARO CCCCN1CCOC[C@@H]1c1nc(-c2ccc(C)c(F)c2)no1 ZINC000170615938 400765773 /nfs/dbraw/zinc/76/57/73/400765773.db2.gz XOCSWHQVIIDLRO-OAHLLOKOSA-N 1 0 319.380 3.358 50 0 DGAARO C[C@H](c1ccccn1)[N@H+](C)CC[C@@H]1CCCCC12OCCO2 ZINC000170609069 400766401 /nfs/dbraw/zinc/76/64/01/400766401.db2.gz LEVIVGLUNPERDV-CVEARBPZSA-N 1 0 304.434 3.398 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000078897244 400831326 /nfs/dbraw/zinc/83/13/26/400831326.db2.gz JYPVYZZBVRMPJQ-RHSMWYFYSA-N 1 0 314.429 3.478 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(F)c1 ZINC000078896899 400831388 /nfs/dbraw/zinc/83/13/88/400831388.db2.gz BKRJJVALZOLBCU-GDZNZVCISA-N 1 0 304.409 3.123 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)[C@H](C)C1 ZINC000078897488 400831438 /nfs/dbraw/zinc/83/14/38/400831438.db2.gz SSAPYPBSSREOKG-AEFFLSMTSA-N 1 0 302.462 3.348 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000078897535 400831555 /nfs/dbraw/zinc/83/15/55/400831555.db2.gz BMMHAQMJIKXXJH-BLLLJJGKSA-N 1 0 318.392 3.309 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000078897531 400831861 /nfs/dbraw/zinc/83/18/61/400831861.db2.gz BMMHAQMJIKXXJH-LRDDRELGSA-N 1 0 318.392 3.309 50 0 DGAARO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(n3cncn3)CC2)C1 ZINC000189826505 400909398 /nfs/dbraw/zinc/90/93/98/400909398.db2.gz RLGYUUYQIYMJSI-MOPGFXCFSA-N 1 0 310.445 3.425 50 0 DGAARO [NH3+]CC1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)CC1 ZINC000606441227 400912855 /nfs/dbraw/zinc/91/28/55/400912855.db2.gz AJDAOUKFGBKXMM-PLNGDYQASA-N 1 0 313.228 3.204 50 0 DGAARO C[N@@H+]1CC/C(=C/C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000606444853 400912922 /nfs/dbraw/zinc/91/29/22/400912922.db2.gz NFSDFOWMRJKFPH-AFRXXKALSA-N 1 0 324.399 3.293 50 0 DGAARO C[C@@H]1CN(Cc2cnc(-c3ccccn3)s2)C(C)(C)CO1 ZINC000195563311 400925829 /nfs/dbraw/zinc/92/58/29/400925829.db2.gz KVUDYPYOAOQZKO-GFCCVEGCSA-N 1 0 303.431 3.204 50 0 DGAARO CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@@H]2CCCSC2)C1 ZINC000195560534 400925848 /nfs/dbraw/zinc/92/58/48/400925848.db2.gz GNDYPJZMCQZWQC-OAHLLOKOSA-N 1 0 320.502 3.123 50 0 DGAARO [NH3+]Cc1ccc(C(=O)N(CCc2ccccc2)C2CCCC2)o1 ZINC000237935163 400996999 /nfs/dbraw/zinc/99/69/99/400996999.db2.gz NKXCQCDOILJVNG-UHFFFAOYSA-N 1 0 312.413 3.366 50 0 DGAARO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000245339095 401005085 /nfs/dbraw/zinc/00/50/85/401005085.db2.gz QLFNCIFQMVJQLW-HRAATJIYSA-N 1 0 321.468 3.049 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCO[C@@H]1CCCC[C@@H]1C ZINC000229556972 400966526 /nfs/dbraw/zinc/96/65/26/400966526.db2.gz ZFKPBFSPFCMPSA-GDAAHCPNSA-N 1 0 322.493 3.057 50 0 DGAARO Cc1ccsc1C[N@H+](C)C[C@H](O)COCc1cccs1 ZINC000060625385 401130024 /nfs/dbraw/zinc/13/00/24/401130024.db2.gz JSKICXHOGCCNJG-ZDUSSCGKSA-N 1 0 311.472 3.128 50 0 DGAARO CCc1[nH+]c2ccccc2c(NC[C@@]2(CCO)CCOC2)c1C ZINC000252482140 401095062 /nfs/dbraw/zinc/09/50/62/401095062.db2.gz CZOMKPSIIXBWGB-LJQANCHMSA-N 1 0 314.429 3.307 50 0 DGAARO COC(=O)CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000253397826 401098777 /nfs/dbraw/zinc/09/87/77/401098777.db2.gz UHHLZACBWKXFPB-NVXWUHKLSA-N 1 0 305.418 3.100 50 0 DGAARO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC(F)(F)F)C2=O)cc1 ZINC000090101038 401257157 /nfs/dbraw/zinc/25/71/57/401257157.db2.gz YQPMFXHGYVYJBP-WCQYABFASA-N 1 0 300.324 3.031 50 0 DGAARO CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCC[NH+](C)C ZINC000065170475 401260000 /nfs/dbraw/zinc/26/00/00/401260000.db2.gz NJUUXRWGIOZPRY-UHFFFAOYSA-N 1 0 319.836 3.120 50 0 DGAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COC3(CCCC3)O1)CCCO2 ZINC000095459718 292368026 /nfs/dbraw/zinc/36/80/26/292368026.db2.gz OUSOHJLNENTHGC-NVXWUHKLSA-N 1 0 317.429 3.484 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157128098 287066404 /nfs/dbraw/zinc/06/64/04/287066404.db2.gz FUGNQFUPHMWKLQ-HIFRSBDPSA-N 1 0 304.434 3.135 50 0 DGAARO c1coc([C@@H](C[NH2+]Cc2cnn3ccccc23)N2CCCCC2)c1 ZINC000171761898 432171079 /nfs/dbraw/zinc/17/10/79/432171079.db2.gz HCELDHVZKOHQSO-GOSISDBHSA-N 1 0 324.428 3.244 50 0 DGAARO c1cc(CCN2CCC([NH2+]CC3CCCCC3)CC2)ccn1 ZINC000129617036 196062248 /nfs/dbraw/zinc/06/22/48/196062248.db2.gz NIERVNQPMLIYJE-UHFFFAOYSA-N 1 0 301.478 3.258 50 0 DGAARO C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C[C@@H]1n1ccnc1 ZINC000129769993 196075297 /nfs/dbraw/zinc/07/52/97/196075297.db2.gz LVQBNVFFONXJJH-COXVUDFISA-N 1 0 319.836 3.153 50 0 DGAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(OC)c(-c3ccccc3)c2)C1 ZINC000132884552 196293724 /nfs/dbraw/zinc/29/37/24/196293724.db2.gz ZEFQRJDSEYXXMV-KRWDZBQOSA-N 1 0 324.424 3.186 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000299739526 229371477 /nfs/dbraw/zinc/37/14/77/229371477.db2.gz PQVKCMQAQJWXLT-ZCDTZLGTSA-N 1 0 306.837 3.029 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000194315946 263811320 /nfs/dbraw/zinc/81/13/20/263811320.db2.gz GDOMZNXBPWQDPX-LJQANCHMSA-N 1 0 308.425 3.208 50 0 DGAARO CC1(C)[NH2+]CC[C@@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000000103652 273591881 /nfs/dbraw/zinc/59/18/81/273591881.db2.gz DDUFVSMGVTZHAR-FQEVSTJZSA-N 1 0 306.409 3.243 50 0 biogenic DGAARO COCCn1ccnc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000215096291 274041244 /nfs/dbraw/zinc/04/12/44/274041244.db2.gz OASYFVJAHQDKCQ-UHFFFAOYSA-N 1 0 323.440 3.090 50 0 DGAARO Cc1cc(C)n2c(C[NH2+][C@H]3CCc4c3cccc4C)cnc2n1 ZINC000156572673 274693482 /nfs/dbraw/zinc/69/34/82/274693482.db2.gz ZWYWHBRREKLFEX-SFHVURJKSA-N 1 0 306.413 3.432 50 0 DGAARO Cc1nc(CC[NH2+][C@H](C)c2nc3ccccc3n2C)cs1 ZINC000091283125 274838790 /nfs/dbraw/zinc/83/87/90/274838790.db2.gz HETDHJGZXWYDPE-LLVKDONJSA-N 1 0 300.431 3.232 50 0 DGAARO O=C1C[C@@]2(CC[N@H+](CCCc3cccnc3)C2)Oc2ccccc21 ZINC000252495907 275020078 /nfs/dbraw/zinc/02/00/78/275020078.db2.gz PDJVROIBRINJRA-HXUWFJFHSA-N 1 0 322.408 3.124 50 0 DGAARO OC1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000090799853 275045202 /nfs/dbraw/zinc/04/52/02/275045202.db2.gz QLIIGKWCMAJNES-HWOWSKLDSA-N 1 0 324.262 3.200 50 0 DGAARO CCN(C(=O)c1cccnc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000069460510 276064675 /nfs/dbraw/zinc/06/46/75/276064675.db2.gz KYFVMMLIPLEDTF-QFBILLFUSA-N 1 0 323.440 3.379 50 0 DGAARO CCOC(=O)N1CC[NH+]([C@@H](C)c2c(C)cc(C)cc2C)CC1 ZINC000040158321 276283237 /nfs/dbraw/zinc/28/32/37/276283237.db2.gz LMSALTFXDAQGES-INIZCTEOSA-N 1 0 304.434 3.447 50 0 DGAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000236683451 277248612 /nfs/dbraw/zinc/24/86/12/277248612.db2.gz TYTDCLCEMVMETG-DZGCQCFKSA-N 1 0 306.475 3.001 50 0 DGAARO COc1cccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1OC ZINC000020081915 278022649 /nfs/dbraw/zinc/02/26/49/278022649.db2.gz YQAZPQFCMIGDDS-QGZVFWFLSA-N 1 0 308.381 3.420 50 0 biogenic,in-vitro DGAARO CC(=O)NC1CCC([NH2+][C@@H]2CCCOc3c(F)cccc32)CC1 ZINC000161835434 278088830 /nfs/dbraw/zinc/08/88/30/278088830.db2.gz AIUKTBWKDGFJEP-MQBCKMQZSA-N 1 0 320.408 3.076 50 0 DGAARO CC[n+]1ccc(/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000000044494 431114610 /nfs/dbraw/zinc/11/46/10/431114610.db2.gz HVMDOHTUNMABGN-VOTSOKGWSA-N 1 0 300.378 3.190 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[NH2+]Cc2ccccc2)c2ccccc12 ZINC000000038090 431114976 /nfs/dbraw/zinc/11/49/76/431114976.db2.gz FUYVUDCIMOEEJM-GOSISDBHSA-N 1 0 308.425 3.409 50 0 DGAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(OC)c1OC ZINC000000172154 431139562 /nfs/dbraw/zinc/13/95/62/431139562.db2.gz WSGDIHMETMFVJH-UHFFFAOYSA-N 1 0 305.349 3.141 50 0 DGAARO Cc1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000000206293 431144774 /nfs/dbraw/zinc/14/47/74/431144774.db2.gz LPZLXPBYWPHQNP-UHFFFAOYSA-N 1 0 318.461 3.108 50 0 DGAARO O[C@H](Cn1c2ccccc2c2c1CCCC2)C[NH+]1CCCCC1 ZINC000000301546 431163122 /nfs/dbraw/zinc/16/31/22/431163122.db2.gz RLYZQJDARVHWHS-INIZCTEOSA-N 1 0 312.457 3.367 50 0 biogenic DGAARO CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000317666 431165154 /nfs/dbraw/zinc/16/51/54/431165154.db2.gz RAFVBXFYNZBAMM-UHFFFAOYSA-N 1 0 300.446 3.157 50 0 DGAARO CCOc1c(Cl)cc(C[NH2+]Cc2ccncc2)cc1OC ZINC000000360298 431171225 /nfs/dbraw/zinc/17/12/25/431171225.db2.gz GUVZKODRWMLXBU-UHFFFAOYSA-N 1 0 306.793 3.432 50 0 DGAARO O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069221217 431171434 /nfs/dbraw/zinc/17/14/34/431171434.db2.gz QUXXHGKLWCKLIT-AWEZNQCLSA-N 1 0 323.387 3.447 50 0 DGAARO COc1ccccc1/C=C/C(=O)O[C@H](C)C[NH+]1CCCCC1 ZINC000000459918 431188871 /nfs/dbraw/zinc/18/88/71/431188871.db2.gz WAEIBICPCUNNDB-AUECHBEKSA-N 1 0 303.402 3.126 50 0 DGAARO Cc1sc(C)c([C@H]2C=CNC=[NH+]2)c1I ZINC000000480761 431191119 /nfs/dbraw/zinc/19/11/19/431191119.db2.gz MODBQEYIHCDMET-MRVPVSSYSA-N 1 0 318.183 3.156 50 0 DGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000069491642 431191847 /nfs/dbraw/zinc/19/18/47/431191847.db2.gz RXEKBOQGXVCYPN-HUUCEWRRSA-N 1 0 315.417 3.092 50 0 DGAARO CN(C(=O)Cc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000069492556 431193304 /nfs/dbraw/zinc/19/33/04/431193304.db2.gz SKPBRRQXQQMQHB-UHFFFAOYSA-N 1 0 315.244 3.089 50 0 DGAARO Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1 ZINC000069517933 431195104 /nfs/dbraw/zinc/19/51/04/431195104.db2.gz KKRNCNMPIUJJMM-ZWKOTPCHSA-N 1 0 300.446 3.013 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1ccccc1 ZINC000069517964 431196869 /nfs/dbraw/zinc/19/68/69/431196869.db2.gz WBIOZJPZACILNG-MSOLQXFVSA-N 1 0 300.446 3.095 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2ccnc(-c3ccccc3)n2)c1 ZINC000069535559 431199255 /nfs/dbraw/zinc/19/92/55/431199255.db2.gz DHLWACPMRGSXDX-HOTGVXAUSA-N 1 0 321.428 3.388 50 0 DGAARO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c(C)n1C(C)C ZINC000069571194 431200044 /nfs/dbraw/zinc/20/00/44/431200044.db2.gz XQJJNEFLKFVWQZ-ROUUACIJSA-N 1 0 317.477 3.385 50 0 DGAARO O=C(OCC[NH+]1CCCCC1)c1ccccc1Br ZINC000000210682 431148135 /nfs/dbraw/zinc/14/81/35/431148135.db2.gz MPPRJHFQKSRLTI-UHFFFAOYSA-N 1 0 312.207 3.092 50 0 DGAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCCCC1 ZINC000000212426 431148374 /nfs/dbraw/zinc/14/83/74/431148374.db2.gz FYFRKLHNAOOZII-INIZCTEOSA-N 1 0 304.409 3.050 50 0 DGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC000000241132 431150670 /nfs/dbraw/zinc/15/06/70/431150670.db2.gz KBZRUJSGDUTFMQ-MRXNPFEDSA-N 1 0 305.418 3.087 50 0 DGAARO O[C@](Cc1ccccc1)(c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000001250069 431215588 /nfs/dbraw/zinc/21/55/88/431215588.db2.gz OZLFWGFNBXLDCI-LEWJYISDSA-N 1 0 307.437 3.459 50 0 DGAARO Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(O)c2)cc1F ZINC000069871813 431230211 /nfs/dbraw/zinc/23/02/11/431230211.db2.gz KUQMPDNKUBUTLV-UHFFFAOYSA-N 1 0 311.360 3.315 50 0 DGAARO CC[NH+](CC)[C@H](C(=O)NC1CCSCC1)c1ccccc1 ZINC000069902600 431233445 /nfs/dbraw/zinc/23/34/45/431233445.db2.gz KPDMRYXRYDICDC-INIZCTEOSA-N 1 0 306.475 3.081 50 0 DGAARO Cc1noc(C)c1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000070014626 431236802 /nfs/dbraw/zinc/23/68/02/431236802.db2.gz QHCVKCHWYFSNPK-UHFFFAOYSA-N 1 0 304.365 3.226 50 0 DGAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000070038145 431236881 /nfs/dbraw/zinc/23/68/81/431236881.db2.gz PQYOOLLUASGLMH-IRXDYDNUSA-N 1 0 324.827 3.454 50 0 DGAARO CN(C(=O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000070040757 431239356 /nfs/dbraw/zinc/23/93/56/431239356.db2.gz FHMBEWJXSSYDIN-FQEVSTJZSA-N 1 0 320.436 3.255 50 0 DGAARO COc1ccccc1/C=C/C(=O)O[C@@H](C)C[NH+]1CCCCC1 ZINC000001832754 431239436 /nfs/dbraw/zinc/23/94/36/431239436.db2.gz WAEIBICPCUNNDB-NKSUMMKUSA-N 1 0 303.402 3.126 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1CCNc1[nH]c(=S)nc2ccccc21 ZINC000002499687 431253504 /nfs/dbraw/zinc/25/35/04/431253504.db2.gz UZXYPFJZCQUKEU-GFCCVEGCSA-N 1 0 302.447 3.205 50 0 DGAARO C[NH+](C)CCCNC(=S)Nc1ccc(Cl)cc1Cl ZINC000002998666 431278314 /nfs/dbraw/zinc/27/83/14/431278314.db2.gz LTNCAWKMAOQZEN-UHFFFAOYSA-N 1 0 306.262 3.232 50 0 DGAARO Cc1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)n1 ZINC000071830795 431296654 /nfs/dbraw/zinc/29/66/54/431296654.db2.gz WZSBNVDKAXHGAG-UXLLHSPISA-N 1 0 315.461 3.176 50 0 DGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)C1 ZINC000071837367 431300146 /nfs/dbraw/zinc/30/01/46/431300146.db2.gz KUINEPMDPQXYOX-BPKGMFCQSA-N 1 0 316.445 3.247 50 0 DGAARO Cc1ccc(C)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000004951326 431305802 /nfs/dbraw/zinc/30/58/02/431305802.db2.gz QUBAYTCXOQKZOU-UHFFFAOYSA-N 1 0 324.424 3.354 50 0 DGAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cccs1 ZINC000070928875 431266776 /nfs/dbraw/zinc/26/67/76/431266776.db2.gz AACWDQDHDFBFKS-UHFFFAOYSA-N 1 0 316.430 3.181 50 0 DGAARO COc1cc(C[NH2+]CCO)c(Cl)cc1OCc1ccccc1 ZINC000002845505 431271883 /nfs/dbraw/zinc/27/18/83/431271883.db2.gz VMCCBQRVJKKXJI-UHFFFAOYSA-N 1 0 321.804 3.010 50 0 DGAARO COc1cc(C[NH2+]CCO)ccc1OCc1ccccc1Cl ZINC000002862408 431272641 /nfs/dbraw/zinc/27/26/41/431272641.db2.gz IHEUFANIHYSSFX-UHFFFAOYSA-N 1 0 321.804 3.010 50 0 DGAARO O=C(NCc1ccccc1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877182 431322602 /nfs/dbraw/zinc/32/26/02/431322602.db2.gz TUDDRLPAOMZYQR-UHFFFAOYSA-N 1 0 315.461 3.094 50 0 DGAARO Clc1cc(N2CCC([NH+]3CCCC3)CC2)nc2[nH]ccc21 ZINC000072152429 431331699 /nfs/dbraw/zinc/33/16/99/431331699.db2.gz CEOUHFARTYJYHS-UHFFFAOYSA-N 1 0 304.825 3.281 50 0 DGAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1scnc1C(C)(C)C ZINC000072309554 431334250 /nfs/dbraw/zinc/33/42/50/431334250.db2.gz UWKUIZHSLLTDCM-QWHCGFSZSA-N 1 0 323.506 3.291 50 0 DGAARO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000007143615 431336231 /nfs/dbraw/zinc/33/62/31/431336231.db2.gz PWZVDKIHEXJMGG-ZDUSSCGKSA-N 1 0 300.383 3.451 50 0 DGAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]CCCOC(C)C ZINC000007779652 431361678 /nfs/dbraw/zinc/36/16/78/431361678.db2.gz VNAVLGYVHFBJTP-UHFFFAOYSA-N 1 0 301.862 3.406 50 0 DGAARO C[N@H+](CC(=O)NC1CCCCC1)[C@H]1CCCc2ccccc21 ZINC000008126829 431381224 /nfs/dbraw/zinc/38/12/24/431381224.db2.gz LAJSNNCDKPCUGY-SFHVURJKSA-N 1 0 300.446 3.445 50 0 DGAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCCc1ccccc1 ZINC000008184007 431384390 /nfs/dbraw/zinc/38/43/90/431384390.db2.gz CZZJVXWDNZDUKN-INIZCTEOSA-N 1 0 314.454 3.244 50 0 DGAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCCc1ccccc1 ZINC000008184001 431385530 /nfs/dbraw/zinc/38/55/30/431385530.db2.gz CZZJVXWDNZDUKN-MRXNPFEDSA-N 1 0 314.454 3.244 50 0 DGAARO Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 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CCC[NH+]1CCC(CC(=O)N[C@@H](C)c2ccc(C)nc2)CC1 ZINC000095361442 431922942 /nfs/dbraw/zinc/92/29/42/431922942.db2.gz GEEBIOOAHJZNBW-HNNXBMFYSA-N 1 0 303.450 3.079 50 0 DGAARO Cc1ccc(CC2(NC(=O)CC[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000095358087 431923080 /nfs/dbraw/zinc/92/30/80/431923080.db2.gz SUUBJZQFKOXCAZ-SFHVURJKSA-N 1 0 314.473 3.308 50 0 DGAARO c1ncn(C2CCCCC2)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000095361009 431923213 /nfs/dbraw/zinc/92/32/13/431923213.db2.gz TVKDWNCSZRLJKJ-SFHVURJKSA-N 1 0 303.450 3.391 50 0 DGAARO Cc1cccc(CC2(NC(=O)CC[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000095388005 431923973 /nfs/dbraw/zinc/92/39/73/431923973.db2.gz DXCVKVUOCQGBNL-QGZVFWFLSA-N 1 0 314.473 3.308 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCCc2ccccc2)C1 ZINC000048331996 431923984 /nfs/dbraw/zinc/92/39/84/431923984.db2.gz SRFMPTKGTMNNCM-ROUUACIJSA-N 1 0 316.489 3.494 50 0 DGAARO CC(C)[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1[NH+](C)C ZINC000095379090 431924261 /nfs/dbraw/zinc/92/42/61/431924261.db2.gz NSSUYHGGIYRNDA-CMPLNLGQSA-N 1 0 300.855 3.060 50 0 DGAARO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000095380827 431924266 /nfs/dbraw/zinc/92/42/66/431924266.db2.gz SBAUSSUBZANGDJ-QGZVFWFLSA-N 1 0 318.436 3.262 50 0 DGAARO CC[NH+]1CCC(CC(=O)N[C@@H](CC(C)C)c2cccnc2)CC1 ZINC000095380722 431924307 /nfs/dbraw/zinc/92/43/07/431924307.db2.gz CRLYTOPDGCXJIF-SFHVURJKSA-N 1 0 317.477 3.407 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000095423903 431924932 /nfs/dbraw/zinc/92/49/32/431924932.db2.gz CDYGFJSTHIBSMY-NVXWUHKLSA-N 1 0 316.445 3.118 50 0 DGAARO CC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000089657577 431874111 /nfs/dbraw/zinc/87/41/11/431874111.db2.gz LKLWLNLTMKPMEO-DYVFJYSZSA-N 1 0 300.402 3.088 50 0 DGAARO Cc1csc([C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)n1 ZINC000089705333 431875388 /nfs/dbraw/zinc/87/53/88/431875388.db2.gz SBIUQBGPXHLNSL-ZFWWWQNUSA-N 1 0 321.490 3.283 50 0 DGAARO Cc1nccn1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000089735721 431877014 /nfs/dbraw/zinc/87/70/14/431877014.db2.gz KUHVXYMXSKLAOK-OAHLLOKOSA-N 1 0 310.401 3.212 50 0 DGAARO Cc1nccn1CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000089735718 431877360 /nfs/dbraw/zinc/87/73/60/431877360.db2.gz KUHVXYMXSKLAOK-HNNXBMFYSA-N 1 0 310.401 3.212 50 0 DGAARO c1cncc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000089794032 431879312 /nfs/dbraw/zinc/87/93/12/431879312.db2.gz PVADDIJHKIOENN-UHFFFAOYSA-N 1 0 310.397 3.412 50 0 DGAARO C[C@H](O)[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000089894292 431883654 /nfs/dbraw/zinc/88/36/54/431883654.db2.gz SBMJQNFOMMSDDD-JSGCOSHPSA-N 1 0 304.365 3.074 50 0 DGAARO C[C@H]1C[NH+](Cc2cccc(NCc3cscn3)c2)C[C@H](C)O1 ZINC000089936705 431886397 /nfs/dbraw/zinc/88/63/97/431886397.db2.gz NJUFFMOQJLMUHR-KBPBESRZSA-N 1 0 317.458 3.364 50 0 DGAARO CCOc1cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)ccn1 ZINC000095420329 431925648 /nfs/dbraw/zinc/92/56/48/431925648.db2.gz QVGXJNYLPAUNTH-DMZKTXOQSA-N 1 0 318.442 3.069 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccn1)c1ccsc1 ZINC000046253362 431896078 /nfs/dbraw/zinc/89/60/78/431896078.db2.gz PYKCNPZRCSHIPP-CQSZACIVSA-N 1 0 318.446 3.348 50 0 DGAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000097514968 431971118 /nfs/dbraw/zinc/97/11/18/431971118.db2.gz OVVANPMPBOKASP-FQEVSTJZSA-N 1 0 320.436 3.358 50 0 DGAARO CC[C@@H](NC(=O)CC1CC[NH+](CC)CC1)c1ccc(O)cc1 ZINC000097570976 431971443 /nfs/dbraw/zinc/97/14/43/431971443.db2.gz VFGTVRMMUBWFHQ-QGZVFWFLSA-N 1 0 304.434 3.082 50 0 DGAARO Cc1cncc(NC(=O)NC2(C[NH+]3CCCC3)CCCCC2)c1 ZINC000097610030 431972310 /nfs/dbraw/zinc/97/23/10/431972310.db2.gz QVQIFJNPABYTDC-UHFFFAOYSA-N 1 0 316.449 3.310 50 0 DGAARO Cc1c[nH]nc1C1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000097744666 431974037 /nfs/dbraw/zinc/97/40/37/431974037.db2.gz OHVKLNODBLAQPH-UHFFFAOYSA-N 1 0 309.417 3.054 50 0 DGAARO c1cc([C@@H]2CCCCO2)oc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000097713699 431974258 /nfs/dbraw/zinc/97/42/58/431974258.db2.gz JJXPHMXUXPBMTG-HNNXBMFYSA-N 1 0 316.405 3.019 50 0 DGAARO C[C@@H](c1cccc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1)[NH+](C)C ZINC000097797662 431974888 /nfs/dbraw/zinc/97/48/88/431974888.db2.gz QVAJMSATJLKJDD-HNNXBMFYSA-N 1 0 318.461 3.386 50 0 DGAARO c1cncc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)c1 ZINC000055061140 431974901 /nfs/dbraw/zinc/97/49/01/431974901.db2.gz QMXSTGQHMWHEHL-QGZVFWFLSA-N 1 0 317.396 3.101 50 0 DGAARO c1cc2n(c1)-c1ccccc1C[NH2+][C@H]2c1ccc2c(c1)OCO2 ZINC000055028059 431975678 /nfs/dbraw/zinc/97/56/78/431975678.db2.gz MRWBRCPVLMGQSD-IBGZPJMESA-N 1 0 304.349 3.399 50 0 DGAARO COc1cc(C)c(C[N@H+](C)CCc2ccncc2)cc1OC ZINC000098078716 431977484 /nfs/dbraw/zinc/97/74/84/431977484.db2.gz OGMVAKLIDJVIOL-UHFFFAOYSA-N 1 0 300.402 3.082 50 0 DGAARO Cc1ccccc1CN(CC[NH+](C)C)Cc1cnn(C(C)C)c1 ZINC000055167877 431977703 /nfs/dbraw/zinc/97/77/03/431977703.db2.gz TUVMDZXWBOKFFM-UHFFFAOYSA-N 1 0 314.477 3.336 50 0 DGAARO CC1CC[NH+](CC(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000098081183 431978061 /nfs/dbraw/zinc/97/80/61/431978061.db2.gz BFDMKWGYQBDZDQ-LJQANCHMSA-N 1 0 312.413 3.217 50 0 DGAARO COCC[N@H+](C/C=C/c1ccccc1)Cc1nc(C)ccc1O ZINC000055244120 431978721 /nfs/dbraw/zinc/97/87/21/431978721.db2.gz NCSMYRWSUHKQKN-RMKNXTFCSA-N 1 0 312.413 3.257 50 0 DGAARO COc1cccc(N2CC[NH+](Cc3sccc3C)CC2)c1 ZINC000055291833 431978978 /nfs/dbraw/zinc/97/89/78/431978978.db2.gz AICNSACBNPOKHH-UHFFFAOYSA-N 1 0 302.443 3.387 50 0 DGAARO CC1(C)CCc2nc(C[N@H+](CCO)C3CCCC3)sc2C1 ZINC000095453821 431926635 /nfs/dbraw/zinc/92/66/35/431926635.db2.gz ICTMRZBVVRGQFI-UHFFFAOYSA-N 1 0 308.491 3.395 50 0 DGAARO Cc1cccc(C[NH2+][C@H](C)C2(N3CCOCC3)CCCC2)c1 ZINC000095941423 431927239 /nfs/dbraw/zinc/92/72/39/431927239.db2.gz OLYRZGSTIQQTOX-QGZVFWFLSA-N 1 0 302.462 3.118 50 0 DGAARO Cc1sc2nc(C(F)(F)F)nc(NCC[NH+](C)C)c2c1C ZINC000095948983 431928443 /nfs/dbraw/zinc/92/84/43/431928443.db2.gz CVFBXRRFSHRTPX-UHFFFAOYSA-N 1 0 318.368 3.300 50 0 DGAARO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCOCO2)c1 ZINC000095963829 431929495 /nfs/dbraw/zinc/92/94/95/431929495.db2.gz IUGVFFLPSQACGU-LJQANCHMSA-N 1 0 312.413 3.155 50 0 DGAARO Cc1ncsc1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000095973147 431929675 /nfs/dbraw/zinc/92/96/75/431929675.db2.gz AWFGNESDHGVXGY-SWLSCSKDSA-N 1 0 324.396 3.080 50 0 DGAARO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C[C@H](c2ccccc2)C1 ZINC000095968930 431929901 /nfs/dbraw/zinc/92/99/01/431929901.db2.gz SMLZMTDMNPUKHY-USXIJHARSA-N 1 0 323.502 3.372 50 0 DGAARO COc1cccc(C([NH2+][C@@H]2CCOC2)c2cccc(OC)c2)c1 ZINC000095968905 431930148 /nfs/dbraw/zinc/93/01/48/431930148.db2.gz MCYRUDGXWXFUIO-MRXNPFEDSA-N 1 0 313.397 3.172 50 0 DGAARO Cc1nccn1Cc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000095980659 431931201 /nfs/dbraw/zinc/93/12/01/431931201.db2.gz LUPJVCDTCUGHGJ-KBXCAEBGSA-N 1 0 310.445 3.277 50 0 DGAARO CC(C)(C)[NH2+]Cc1nc(-c2cc(Br)cs2)no1 ZINC000048707124 431931636 /nfs/dbraw/zinc/93/16/36/431931636.db2.gz FYORIEDJNPKZMY-UHFFFAOYSA-N 1 0 316.224 3.449 50 0 DGAARO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000095986663 431931798 /nfs/dbraw/zinc/93/17/98/431931798.db2.gz AEXPMSPHKBIKAL-MRXNPFEDSA-N 1 0 323.444 3.169 50 0 DGAARO COc1cc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)ccc1F ZINC000095982153 431931866 /nfs/dbraw/zinc/93/18/66/431931866.db2.gz DAJAQSMZQQLOCW-CYBMUJFWSA-N 1 0 313.376 3.375 50 0 DGAARO Cc1ncsc1CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000095984284 431932176 /nfs/dbraw/zinc/93/21/76/431932176.db2.gz HUUNJXIAEZSPBW-LLVKDONJSA-N 1 0 304.415 3.116 50 0 DGAARO O=C(CCN1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000095992494 431932595 /nfs/dbraw/zinc/93/25/95/431932595.db2.gz ILPIIPFFROAIMD-SFHVURJKSA-N 1 0 300.446 3.210 50 0 DGAARO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000095988238 431932678 /nfs/dbraw/zinc/93/26/78/431932678.db2.gz GRHYYTAICGSGIX-CWMCZYRISA-N 1 0 322.399 3.010 50 0 DGAARO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000095988585 431932861 /nfs/dbraw/zinc/93/28/61/431932861.db2.gz PAPYFBBALJDCJH-DLBZAZTESA-N 1 0 304.340 3.288 50 0 DGAARO COc1ccc(CCC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC000096013601 431934247 /nfs/dbraw/zinc/93/42/47/431934247.db2.gz ORNBZGBFJCSXLM-WBVHZDCISA-N 1 0 307.409 3.268 50 0 DGAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1(C)C ZINC000125976345 431939537 /nfs/dbraw/zinc/93/95/37/431939537.db2.gz LHZANOUHXMHKDM-DLBZAZTESA-N 1 0 300.446 3.013 50 0 DGAARO OCc1cc(-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1F ZINC000096141816 431939933 /nfs/dbraw/zinc/93/99/33/431939933.db2.gz FVYBKZKOFBYJOI-UHFFFAOYSA-N 1 0 315.388 3.460 50 0 DGAARO C[C@H](c1ccc(-c2[nH]nc3ncnc(N)c32)cc1)[NH+]1CCCCC1 ZINC000096149469 431940678 /nfs/dbraw/zinc/94/06/78/431940678.db2.gz OTXRFZSHFYQCQA-GFCCVEGCSA-N 1 0 322.416 3.149 50 0 DGAARO O=C(/C=C\c1cccc(F)c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000096157962 431940833 /nfs/dbraw/zinc/94/08/33/431940833.db2.gz QXKHPOVHRKQFCU-HJWRWDBZSA-N 1 0 324.399 3.013 50 0 DGAARO Oc1cccc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000096403996 431945243 /nfs/dbraw/zinc/94/52/43/431945243.db2.gz UCKJKCLYGRTODY-IBGZPJMESA-N 1 0 310.441 3.046 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(CC1CC1)C1CCCCC1 ZINC000096403736 431945829 /nfs/dbraw/zinc/94/58/29/431945829.db2.gz YWXCIYZOWCZURQ-SJLPKXTDSA-N 1 0 319.493 3.368 50 0 DGAARO CC(=O)Nc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1 ZINC000096421175 431947110 /nfs/dbraw/zinc/94/71/10/431947110.db2.gz BKFJOSYKJRNKPI-OAHLLOKOSA-N 1 0 312.413 3.028 50 0 DGAARO Cc1ccc(C[NH2+][C@H]2CCN(CCc3ccccc3)C2)s1 ZINC000050225376 431947420 /nfs/dbraw/zinc/94/74/20/431947420.db2.gz PLEYYHQBFZRUOA-KRWDZBQOSA-N 1 0 300.471 3.463 50 0 DGAARO CN(C[C@H]1CCC[N@H+](Cc2ccncc2)C1)C(=O)OC(C)(C)C ZINC000096424622 431947693 /nfs/dbraw/zinc/94/76/93/431947693.db2.gz PUBAOYZKSSCSRZ-MRXNPFEDSA-N 1 0 319.449 3.161 50 0 DGAARO Cc1csc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(F)cc2)n1 ZINC000096443393 431949672 /nfs/dbraw/zinc/94/96/72/431949672.db2.gz JTBGDOINSHOBGG-UHFFFAOYSA-N 1 0 321.421 3.444 50 0 DGAARO COC1CCC([N@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000096443358 431949992 /nfs/dbraw/zinc/94/99/92/431949992.db2.gz LULMHDREXPEDIY-UHFFFAOYSA-N 1 0 319.380 3.265 50 0 DGAARO Cc1ccc([C@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)cc1 ZINC000096467010 431952366 /nfs/dbraw/zinc/95/23/66/431952366.db2.gz UCLWBJGPRNYOOL-QGZVFWFLSA-N 1 0 309.475 3.345 50 0 DGAARO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2sccc2C)c1 ZINC000096478159 431952971 /nfs/dbraw/zinc/95/29/71/431952971.db2.gz KHIQLHJDIGFAFS-CYBMUJFWSA-N 1 0 302.443 3.309 50 0 DGAARO Cn1c(Cc2cccs2)nnc1SCC[C@H]1CCC[N@@H+]1C ZINC000096485290 431953549 /nfs/dbraw/zinc/95/35/49/431953549.db2.gz XHOBQOFRNRUNEE-GFCCVEGCSA-N 1 0 322.503 3.044 50 0 DGAARO COc1cccc2cc([C@H](C)[NH2+]CC3(OC)CCOCC3)oc21 ZINC000096493465 431953655 /nfs/dbraw/zinc/95/36/55/431953655.db2.gz OUIYGOZPVVFQOR-ZDUSSCGKSA-N 1 0 319.401 3.288 50 0 DGAARO CCCC(=O)Nc1cccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000096487560 431954149 /nfs/dbraw/zinc/95/41/49/431954149.db2.gz YESRWVZPZNYVEB-XJKSGUPXSA-N 1 0 301.434 3.462 50 0 DGAARO COc1ccccc1C[N@@H+](Cc1cccnc1)C[C@@H]1CCOC1 ZINC000055341114 431980432 /nfs/dbraw/zinc/98/04/32/431980432.db2.gz QECBLIDEMKKDRJ-KRWDZBQOSA-N 1 0 312.413 3.129 50 0 DGAARO C[C@@H](Cc1ccsc1)NC(=O)NCCC[NH+]1CCCCCC1 ZINC000052499581 431956893 /nfs/dbraw/zinc/95/68/93/431956893.db2.gz LXYBCDNYBARVCS-HNNXBMFYSA-N 1 0 323.506 3.244 50 0 DGAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000097037313 431957018 /nfs/dbraw/zinc/95/70/18/431957018.db2.gz RUEKHWQGCSDBRM-KEYYUXOJSA-N 1 0 312.417 3.410 50 0 DGAARO COc1cccc2cc([C@H](C)[NH2+]CCc3nc(C)no3)oc21 ZINC000097034680 431957174 /nfs/dbraw/zinc/95/71/74/431957174.db2.gz BEOKYNNJFZTWAQ-JTQLQIEISA-N 1 0 301.346 3.026 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(C(C)C)nc32)C1(C)C ZINC000097034650 431957228 /nfs/dbraw/zinc/95/72/28/431957228.db2.gz LMLJOYQFPRFQSL-HZSPNIEDSA-N 1 0 306.454 3.030 50 0 DGAARO O=C(NCCC[NH+]1CCCC1)c1cc2c(cccc2F)s1 ZINC000053287890 431962046 /nfs/dbraw/zinc/96/20/46/431962046.db2.gz ICKJEJMJPOXDQI-UHFFFAOYSA-N 1 0 306.406 3.256 50 0 DGAARO O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)c1ccc(F)cc1 ZINC000097139685 431962541 /nfs/dbraw/zinc/96/25/41/431962541.db2.gz JTXSHJXNBIAWIO-CQSZACIVSA-N 1 0 317.389 3.101 50 0 DGAARO CCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(OC)cc2)no1 ZINC000097164380 431964677 /nfs/dbraw/zinc/96/46/77/431964677.db2.gz FBUBVPDSELLSPM-OAHLLOKOSA-N 1 0 301.390 3.216 50 0 DGAARO C[N@H+](Cc1nc2ccccc2[nH]c1=O)[C@@H]1CCc2ccccc21 ZINC000097201328 431964694 /nfs/dbraw/zinc/96/46/94/431964694.db2.gz SEWQKHRYDCUUQP-GOSISDBHSA-N 1 0 305.381 3.042 50 0 DGAARO CCN(CC[NH+]1CCCCCC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000055358229 431980664 /nfs/dbraw/zinc/98/06/64/431980664.db2.gz VSAVOGASKBCYQA-UHFFFAOYSA-N 1 0 306.498 3.405 50 0 DGAARO COc1ccc(-n2cccn2)c(C[N@H+](C)C2CCSCC2)c1 ZINC000097244046 431965742 /nfs/dbraw/zinc/96/57/42/431965742.db2.gz UUVPXUXOWDEQJX-UHFFFAOYSA-N 1 0 317.458 3.208 50 0 DGAARO 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OCCC1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000188067867 432702412 /nfs/dbraw/zinc/70/24/12/432702412.db2.gz FVJUNBBGAMIJLK-CQSZACIVSA-N 1 0 315.335 3.325 50 0 DGAARO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000188248443 432714690 /nfs/dbraw/zinc/71/46/90/432714690.db2.gz JPEWHQJNXKKCLF-FRFSOERESA-N 1 0 309.450 3.401 50 0 DGAARO COc1ccc([C@H](C)[N@@H+]2CCC[C@@H](CNC(C)=O)C2)cc1Cl ZINC000229574880 432721524 /nfs/dbraw/zinc/72/15/24/432721524.db2.gz RMAFNDUGSWVLJH-JSGCOSHPSA-N 1 0 324.852 3.258 50 0 DGAARO COc1ccc(Cl)cc1CN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000177945428 432677577 /nfs/dbraw/zinc/67/75/77/432677577.db2.gz AFTIHNIKACVOIA-MRXNPFEDSA-N 1 0 318.804 3.007 50 0 DGAARO C[N@H+](CCc1ccncc1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000225396402 432689188 /nfs/dbraw/zinc/68/91/88/432689188.db2.gz UTSJDHXPHSPAAI-NRFANRHFSA-N 1 0 320.436 3.313 50 0 DGAARO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(Cl)cc2F)C1(C)C ZINC000225455625 432690871 /nfs/dbraw/zinc/69/08/71/432690871.db2.gz 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CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCC1 ZINC000073442656 288843740 /nfs/dbraw/zinc/84/37/40/288843740.db2.gz ZAGVUDBSUBUEGK-OAHLLOKOSA-N 1 0 305.422 3.001 50 0 DGAARO C[NH+](C)C[C@@H]1CSCC[C@]1(O)c1ccc(C(F)(F)F)cc1 ZINC000000347751 289203369 /nfs/dbraw/zinc/20/33/69/289203369.db2.gz ADSAQTUAGOVXJN-KGLIPLIRSA-N 1 0 319.392 3.208 50 0 DGAARO CC1(C)C[N@H+](Cc2c[nH]c3nccnc23)Cc2ccccc2O1 ZINC000290997352 433214408 /nfs/dbraw/zinc/21/44/08/433214408.db2.gz ANZOGDDBQMBRGR-UHFFFAOYSA-N 1 0 308.385 3.131 50 0 DGAARO Cc1cccnc1-c1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000299772566 433382480 /nfs/dbraw/zinc/38/24/80/433382480.db2.gz BRDLTUBMLQSXPA-KRWDZBQOSA-N 1 0 309.413 3.010 50 0 DGAARO Cc1cccnc1-c1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000299772567 433383307 /nfs/dbraw/zinc/38/33/07/433383307.db2.gz BRDLTUBMLQSXPA-QGZVFWFLSA-N 1 0 309.413 3.010 50 0 DGAARO c1coc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)cs2)c1 ZINC000341987590 433396937 /nfs/dbraw/zinc/39/69/37/433396937.db2.gz HEUWXJJFNHLUDZ-MRXNPFEDSA-N 1 0 304.415 3.406 50 0 DGAARO COc1cc(C)cc(NC(=O)N(C)CCC[NH+]2CCCC2)c1C ZINC000281914038 433424771 /nfs/dbraw/zinc/42/47/71/433424771.db2.gz JEFCJOGIOOYJAH-UHFFFAOYSA-N 1 0 319.449 3.262 50 0 DGAARO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)cc1C ZINC000426530918 433520461 /nfs/dbraw/zinc/52/04/61/433520461.db2.gz QUQMJXKPGJYWBR-YTQUADARSA-N 1 0 319.445 3.162 50 0 DGAARO C[C@H](CCC(=O)NCCc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000426584173 433535718 /nfs/dbraw/zinc/53/57/18/433535718.db2.gz XTNDFJLQFUPQJZ-CQSZACIVSA-N 1 0 308.853 3.263 50 0 DGAARO Cc1n[nH]c(C)c1CC[N@@H+]1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000426428776 433497186 /nfs/dbraw/zinc/49/71/86/433497186.db2.gz MAZDORZLUXBCMR-CQSZACIVSA-N 1 0 317.458 3.225 50 0 DGAARO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000375808660 433571386 /nfs/dbraw/zinc/57/13/86/433571386.db2.gz GOHDRTYVNOPYFC-LBPRGKRZSA-N 1 0 310.323 3.203 50 0 DGAARO C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3C3(CCC3)C2)CC[N@@H+]1C ZINC000376029194 433647585 /nfs/dbraw/zinc/64/75/85/433647585.db2.gz LPYWHMYJXCEOFY-HOTGVXAUSA-N 1 0 312.457 3.181 50 0 DGAARO Clc1ccc([C@H]2[NH2+]CCc3cc4c(cc32)OCCO4)cc1 ZINC000000140505 294107006 /nfs/dbraw/zinc/10/70/06/294107006.db2.gz VJKFUDOPNYBESG-QGZVFWFLSA-N 1 0 301.773 3.346 50 0 DGAARO Cc1nc(-c2cccnc2)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000296146321 434523345 /nfs/dbraw/zinc/52/33/45/434523345.db2.gz XPQROFKACOLCPA-ALOPSCKCSA-N 1 0 323.444 3.193 50 0 DGAARO CC(C)SCC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000408523525 434587293 /nfs/dbraw/zinc/58/72/93/434587293.db2.gz KUIUZEIMEDEDCE-UHFFFAOYSA-N 1 0 308.495 3.480 50 0 DGAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000408519320 434584764 /nfs/dbraw/zinc/58/47/64/434584764.db2.gz XMMMJAJOKMGTFW-SDDRHHMPSA-N 1 0 313.228 3.047 50 0 DGAARO COc1ccc([C@H]([NH2+]CCc2csc(N)n2)C(C)C)cc1 ZINC000408523339 434586755 /nfs/dbraw/zinc/58/67/55/434586755.db2.gz ITHZBVJCRCDANG-OAHLLOKOSA-N 1 0 305.447 3.263 50 0 DGAARO c1cc(CCC[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc2c1OCC2 ZINC000560630210 435185582 /nfs/dbraw/zinc/18/55/82/435185582.db2.gz VYEPPVNYKPPISO-UXHICEINSA-N 1 0 313.441 3.198 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCCO1 ZINC000585123279 435293053 /nfs/dbraw/zinc/29/30/53/435293053.db2.gz VLVBGPLADPKEBP-DGCLKSJQSA-N 1 0 318.339 3.070 50 0 DGAARO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000657336972 436146810 /nfs/dbraw/zinc/14/68/10/436146810.db2.gz CKOXGJHPRVRJNL-UHFFFAOYSA-N 1 0 308.307 3.210 50 0 DGAARO c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000097236035 323210369 /nfs/dbraw/zinc/21/03/69/323210369.db2.gz OTOQLBDIMYIYRS-AWEZNQCLSA-N 1 0 309.369 3.442 50 0 DGAARO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C)nn(C)c2C)c(C)s1 ZINC000097373651 323210769 /nfs/dbraw/zinc/21/07/69/323210769.db2.gz CPHYAFPVKHNKIM-SNVBAGLBSA-N 1 0 320.462 3.005 50 0 DGAARO c1cn(CCC[NH2+][C@H](Cc2ccccc2)C2CCCCC2)nn1 ZINC000184268057 323360813 /nfs/dbraw/zinc/36/08/13/323360813.db2.gz YWKBSZPZMOGFIT-LJQANCHMSA-N 1 0 312.461 3.449 50 0 DGAARO CC(C)=CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000080027187 331683302 /nfs/dbraw/zinc/68/33/02/331683302.db2.gz RBOZLWSSHYWDKP-UHFFFAOYSA-N 1 0 304.409 3.120 50 0 DGAARO CCOC(=O)N1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC000534641479 334311476 /nfs/dbraw/zinc/31/14/76/334311476.db2.gz RNDOPNHYMIOWGX-CQSZACIVSA-N 1 0 308.809 3.150 50 0 DGAARO C[NH+](C)Cc1ccc(CNC(=O)N2CCCCCCC2)cc1 ZINC000534654500 334313512 /nfs/dbraw/zinc/31/35/12/334313512.db2.gz FJYPUIMXCGCZGS-UHFFFAOYSA-N 1 0 303.450 3.224 50 0 DGAARO C[C@@H](NC(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccc(F)cc1 ZINC000534658237 334314556 /nfs/dbraw/zinc/31/45/56/334314556.db2.gz LUGNCAUAVVZTSK-CQSZACIVSA-N 1 0 319.424 3.014 50 0 DGAARO CCOc1ccc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)o1 ZINC000534672468 334321020 /nfs/dbraw/zinc/32/10/20/334321020.db2.gz CJIOPFAEANTPFX-UHFFFAOYSA-N 1 0 308.422 3.063 50 0 DGAARO Cc1cccc2c(CC[NH2+]C3CSCCSC3)c[nH]c21 ZINC000534663263 334322713 /nfs/dbraw/zinc/32/27/13/334322713.db2.gz DSLRHZRRMCOQBQ-UHFFFAOYSA-N 1 0 306.500 3.457 50 0 DGAARO COc1ccc(F)c(C[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000292744372 533906530 /nfs/dbraw/zinc/90/65/30/533906530.db2.gz AQTWIBQTHYFIFX-IBGZPJMESA-N 1 0 315.388 3.148 50 0 DGAARO Cc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)o1 ZINC000328586965 533920051 /nfs/dbraw/zinc/92/00/51/533920051.db2.gz SKMLXFVUUYDTDL-UHFFFAOYSA-N 1 0 324.222 3.384 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)nc12 ZINC000252452510 534839663 /nfs/dbraw/zinc/83/96/63/534839663.db2.gz MPTQRAIMBWSTCP-CVEARBPZSA-N 1 0 311.429 3.015 50 0 DGAARO CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1CC1(C)C ZINC000417327004 528224074 /nfs/dbraw/zinc/22/40/74/528224074.db2.gz GRSAGJFQEMOXNW-QSJFSLAZSA-N 1 0 305.466 3.302 50 0 DGAARO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cn1 ZINC000328588837 528841803 /nfs/dbraw/zinc/84/18/03/528841803.db2.gz RLSDVJJRLZTKOD-GOSISDBHSA-N 1 0 317.477 3.175 50 0 DGAARO O[C@@H](C[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000046346413 545680599 /nfs/dbraw/zinc/68/05/99/545680599.db2.gz FCUXFWLHZIBUKI-CLNPQZTCSA-N 1 0 322.452 3.051 50 0 DGAARO CCN(Cc1ccco1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000046347350 545681451 /nfs/dbraw/zinc/68/14/51/545681451.db2.gz VEZGMQAQLJGDKP-HNNXBMFYSA-N 1 0 321.446 3.176 50 0 DGAARO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000075552404 545729603 /nfs/dbraw/zinc/72/96/03/545729603.db2.gz AMUGTCOOZDZJRE-INIZCTEOSA-N 1 0 309.417 3.159 50 0 DGAARO Cc1ncc(C[NH2+]C[C@@H](O)c2cccs2)n1-c1ccccc1 ZINC000084045553 545782721 /nfs/dbraw/zinc/78/27/21/545782721.db2.gz SAJKXQNPUQZDGW-MRXNPFEDSA-N 1 0 313.426 3.065 50 0 DGAARO CC(C)Oc1ncccc1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000084621959 545791413 /nfs/dbraw/zinc/79/14/13/545791413.db2.gz OQNHRYFCMCLPCK-UHFFFAOYSA-N 1 0 322.412 3.344 50 0 DGAARO CC[C@@H]1CC[C@H]([NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)C1 ZINC000084735444 545794254 /nfs/dbraw/zinc/79/42/54/545794254.db2.gz LEBDKGSREWHYOJ-UTUOFQBUSA-N 1 0 316.371 3.071 50 0 DGAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000084736344 545794472 /nfs/dbraw/zinc/79/44/72/545794472.db2.gz FKDNWEDGDOKBFT-OCCSQVGLSA-N 1 0 312.841 3.306 50 0 DGAARO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1nc2cc(Cl)ccc2n1C ZINC000091281823 545834636 /nfs/dbraw/zinc/83/46/36/545834636.db2.gz HMLJDISJCQPMRC-HZMBPMFUSA-N 1 0 319.792 3.204 50 0 DGAARO c1n[nH]cc1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000092810199 545851406 /nfs/dbraw/zinc/85/14/06/545851406.db2.gz FQFGZRMFEXSPLO-HNNXBMFYSA-N 1 0 307.401 3.179 50 0 DGAARO O=C(C[C@H]1CC[NH2+]C1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000127694054 545932515 /nfs/dbraw/zinc/93/25/15/545932515.db2.gz PWSYBSGPVBRYHG-CYBMUJFWSA-N 1 0 320.396 3.168 50 0 DGAARO CC(C)[NH2+]Cc1cc(-c2cc(Br)ccc2F)n[nH]1 ZINC000131064707 545954659 /nfs/dbraw/zinc/95/46/59/545954659.db2.gz VQVUXKBMTPUIID-UHFFFAOYSA-N 1 0 312.186 3.476 50 0 DGAARO COc1ccccc1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193441369 546242916 /nfs/dbraw/zinc/24/29/16/546242916.db2.gz XJGOFDGIFHFGFD-GOSISDBHSA-N 1 0 320.392 3.278 50 0 DGAARO COc1cc(CN2CCC[C@@H]([NH3+])C2)c(Cl)cc1OC(C)C ZINC000215037625 546261089 /nfs/dbraw/zinc/26/10/89/546261089.db2.gz OPHIGHKCPUOOQG-CYBMUJFWSA-N 1 0 312.841 3.059 50 0 DGAARO O=C(NCc1ccc2ccccc2n1)C1([NH+]2CCCC2)CCCC1 ZINC000215125525 546262110 /nfs/dbraw/zinc/26/21/10/546262110.db2.gz QHZOWINXHSBSHV-UHFFFAOYSA-N 1 0 323.440 3.260 50 0 DGAARO Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH+](C)C ZINC000299764014 546434334 /nfs/dbraw/zinc/43/43/34/546434334.db2.gz QPMPEXAXWVIXEZ-VIKVFOODSA-N 1 0 321.852 3.452 50 0 DGAARO O=C(CSC1CCCC1)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575608351 547015962 /nfs/dbraw/zinc/01/59/62/547015962.db2.gz XYWQLUBDWPUKHO-HNNXBMFYSA-N 1 0 320.458 3.127 50 0 DGAARO c1nc(-c2ccc(C[NH+]3CCCCC3)cc2)n(-c2cccnc2)n1 ZINC000670436328 547753446 /nfs/dbraw/zinc/75/34/46/547753446.db2.gz WTTZDJZIRZSDAO-UHFFFAOYSA-N 1 0 319.412 3.315 50 0 DGAARO Cc1cc(F)ccc1N1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000670450451 547755628 /nfs/dbraw/zinc/75/56/28/547755628.db2.gz NBBBPZDIVNVVEG-QAPCUYQASA-N 1 0 320.452 3.244 50 0 DGAARO CCCCOc1c(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cccc1OC ZINC000670450742 547756280 /nfs/dbraw/zinc/75/62/80/547756280.db2.gz UPODTBDLWZMKHA-MRXNPFEDSA-N 1 0 321.461 3.467 50 0 DGAARO CCSCCC(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000299759814 563804935 /nfs/dbraw/zinc/80/49/35/563804935.db2.gz NMUZBIMVHVVFPL-MRXNPFEDSA-N 1 0 324.465 3.222 50 0 DGAARO O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccncc2)CC1 ZINC000240122518 563906671 /nfs/dbraw/zinc/90/66/71/563906671.db2.gz WBACQVGKQKYDPF-UHFFFAOYSA-N 1 0 316.788 3.419 50 0 DGAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cnn1C(C)C ZINC000239762189 568416889 /nfs/dbraw/zinc/41/68/89/568416889.db2.gz CLFYJLYDPIKVRW-GFCCVEGCSA-N 1 0 315.421 3.114 50 0 DGAARO CC1=C[C@H]2C[C@@H](C1)C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)C2 ZINC000888099046 618625807 /nfs/dbraw/zinc/62/58/07/618625807.db2.gz TXGKNZAMQDBIIO-HTBDUDNFSA-N 1 0 315.461 3.222 50 0 DGAARO COc1ccnc([C@@H](C)[NH2+]CCn2c(C)nc3ccccc32)c1 ZINC000863984337 621724625 /nfs/dbraw/zinc/72/46/25/621724625.db2.gz TXCOTUAFFJQGFP-CYBMUJFWSA-N 1 0 310.401 3.099 50 0 DGAARO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)C1(Br)CC1 ZINC000863983635 621724652 /nfs/dbraw/zinc/72/46/52/621724652.db2.gz KHQQPQHFRFJZJO-GXTWGEPZSA-N 1 0 312.251 3.058 50 0 DGAARO Cc1nc2c(o1)CCC[C@H]2[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000863983923 621724878 /nfs/dbraw/zinc/72/48/78/621724878.db2.gz NPJCYRRIXIKTBD-HUUCEWRRSA-N 1 0 315.417 3.380 50 0 DGAARO C[C@@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)N(C)C ZINC000785560270 624687192 /nfs/dbraw/zinc/68/71/92/624687192.db2.gz QKGOUNMQFPIEAG-AWEZNQCLSA-N 1 0 314.433 3.345 50 0 DGAARO OCC[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)nc21)c1ccccc1 ZINC000787761175 625046299 /nfs/dbraw/zinc/04/62/99/625046299.db2.gz GLVYGKDDWDNGBK-JKSUJKDBSA-N 1 0 316.832 3.478 50 0 DGAARO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000826553728 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Clc1ccc(-c2cnnc(NCC[NH+]3CCCCC3)n2)cc1 ZINC000012441888 660597317 /nfs/dbraw/zinc/59/73/17/660597317.db2.gz IPILZJSMZXMGMY-UHFFFAOYSA-N 1 0 317.824 3.090 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000000199782 658281400 /nfs/dbraw/zinc/28/14/00/658281400.db2.gz QSOVJPVXFZITOO-INIZCTEOSA-N 1 0 320.502 3.489 50 0 DGAARO Cc1cc(CC[NH+]2CCC([C@H](O)c3cccs3)CC2)on1 ZINC000019148373 658655916 /nfs/dbraw/zinc/65/59/16/658655916.db2.gz HACOZTKNDDZPOQ-INIZCTEOSA-N 1 0 306.431 3.033 50 0 DGAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000020773748 658721531 /nfs/dbraw/zinc/72/15/31/658721531.db2.gz KLOWIBSZTQHHQU-MRXNPFEDSA-N 1 0 321.428 3.488 50 0 DGAARO c1csc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)n1 ZINC000020996408 658725782 /nfs/dbraw/zinc/72/57/82/658725782.db2.gz LUUBJVKUUPFXEB-KRWDZBQOSA-N 1 0 313.470 3.166 50 0 DGAARO CCCCc1oc2ccccc2c1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000157096886 658988266 /nfs/dbraw/zinc/98/82/66/658988266.db2.gz SXSKYZAVZDJPRQ-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/52/11/42/1202521142.db2.gz FTAQPONTFXMJGU-UHFFFAOYSA-N 1 0 315.436 3.312 50 0 DGAARO Cc1cc(C)nc(NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)n1 ZINC001704350717 1202522458 /nfs/dbraw/zinc/52/24/58/1202522458.db2.gz CQNSWQUGOZTOFJ-QGZVFWFLSA-N 1 0 310.445 3.336 50 0 DGAARO c1ccc(-c2nnc3n2CC[N@@H+](C[C@@H]2CC=CCC2)CC3)cc1 ZINC000200599513 1081979321 /nfs/dbraw/zinc/97/93/21/1081979321.db2.gz GRCYSKQYKXNTTM-MRXNPFEDSA-N 1 0 308.429 3.160 50 0 DGAARO CC[C@H](C(=O)NCCc1cccc(C(F)(F)F)c1)[N@H+](C)CC ZINC000822555088 1091665039 /nfs/dbraw/zinc/66/50/39/1091665039.db2.gz NWHXPUDBCSLGPY-CQSZACIVSA-N 1 0 316.367 3.094 50 0 DGAARO CCC[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1C)[NH+](C)C ZINC000822790907 1091669372 /nfs/dbraw/zinc/66/93/72/1091669372.db2.gz ULYLBYZESVSWLC-CYBMUJFWSA-N 1 0 316.367 3.474 50 0 DGAARO CCCc1ncncc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000823018922 1091676154 /nfs/dbraw/zinc/67/61/54/1091676154.db2.gz BHYJYBKOLAYNGL-UHFFFAOYSA-N 1 0 324.428 3.277 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000823765128 1091699183 /nfs/dbraw/zinc/69/91/83/1091699183.db2.gz XIPNPMFBVARHCU-OAHLLOKOSA-N 1 0 314.429 3.454 50 0 DGAARO CN(C)C1(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CCCCC1 ZINC000826588665 1091755204 /nfs/dbraw/zinc/75/52/04/1091755204.db2.gz MLZXHBLZUHDQRK-KRWDZBQOSA-N 1 0 319.468 3.259 50 0 DGAARO COCc1ncc(C)n1C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000575547960 1092048834 /nfs/dbraw/zinc/04/88/34/1092048834.db2.gz CALALRLFGNXVKN-INIZCTEOSA-N 1 0 305.466 3.383 50 0 DGAARO CC(C)CNC(=O)N1CCCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000581787976 1092271024 /nfs/dbraw/zinc/27/10/24/1092271024.db2.gz MQQJEQVTBHPEEC-QGZVFWFLSA-N 1 0 309.498 3.329 50 0 DGAARO C[NH+](C)C1(CC2CC2)CCN(C(=O)CCc2ccccc2)CC1 ZINC000581811310 1092278545 /nfs/dbraw/zinc/27/85/45/1092278545.db2.gz TVYISPMEAAPSKB-UHFFFAOYSA-N 1 0 314.473 3.342 50 0 DGAARO C[C@](O)(C[NH2+][C@@H]1COCc2cccc(Cl)c21)c1ccsc1 ZINC000585081039 1094971624 /nfs/dbraw/zinc/97/16/24/1094971624.db2.gz JLJYTAUQIRMAQZ-ZBFHGGJFSA-N 1 0 323.845 3.470 50 0 DGAARO Cc1cccc2nc(C[N@@H+](C)C(C)(C)c3ccccc3)cc(=O)n12 ZINC000585081347 1094972115 /nfs/dbraw/zinc/97/21/15/1094972115.db2.gz JADFJIGZQPCUHY-UHFFFAOYSA-N 1 0 321.424 3.370 50 0 DGAARO c1nc(C2OCCO2)sc1C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000585089103 1094991901 /nfs/dbraw/zinc/99/19/01/1094991901.db2.gz JLECHUAEIHYVKB-CQSZACIVSA-N 1 0 308.447 3.343 50 0 DGAARO CCCCN(Cc1csnn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000585116454 1095009288 /nfs/dbraw/zinc/00/92/88/1095009288.db2.gz WWPNPYMDPGNODA-UHFFFAOYSA-N 1 0 310.511 3.449 50 0 DGAARO COc1cnc(F)c(CN[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000585117688 1095014158 /nfs/dbraw/zinc/01/41/58/1095014158.db2.gz SJHCXAIUUSSYJZ-SUMWQHHRSA-N 1 0 317.408 3.010 50 0 DGAARO FC(F)(F)c1cccc(CC[NH+]2CCC3(CC2)OCCO3)c1 ZINC000585123899 1095020906 /nfs/dbraw/zinc/02/09/06/1095020906.db2.gz LRPRPDXNQATMAN-UHFFFAOYSA-N 1 0 315.335 3.087 50 0 DGAARO CC[C@H](C)[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)ncc1Cl ZINC000585125977 1095025206 /nfs/dbraw/zinc/02/52/06/1095025206.db2.gz KBCUEVQWSAVURG-JOYOIKCWSA-N 1 0 318.248 3.095 50 0 DGAARO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](CCF)C1 ZINC000952852438 1096781307 /nfs/dbraw/zinc/78/13/07/1096781307.db2.gz UWKVINWCFOVNFO-YOEHRIQHSA-N 1 0 321.440 3.030 50 0 DGAARO Cc1cccc2cc(C[NH2+]Cc3cncn3CC(C)C)c(=O)[nH]c12 ZINC000952871760 1096783079 /nfs/dbraw/zinc/78/30/79/1096783079.db2.gz AHIAQJFSHYBGQJ-UHFFFAOYSA-N 1 0 324.428 3.391 50 0 DGAARO CC[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000952882098 1096785810 /nfs/dbraw/zinc/78/58/10/1096785810.db2.gz PHMLNUGMSUHUEH-HKUYNNGSSA-N 1 0 302.462 3.056 50 0 DGAARO CC(C)[C@@H]1CN(C(=O)Nc2ccc(F)cc2F)C[C@H]1[NH+](C)C ZINC000095524939 185377864 /nfs/dbraw/zinc/37/78/64/185377864.db2.gz OADLUBSYMXRSPA-SWLSCSKDSA-N 1 0 311.376 3.015 50 0 DGAARO FC(F)(F)c1cc([C@@H]2CCC[N@H+](CCOCC3CC3)C2)[nH]n1 ZINC000078900975 185126380 /nfs/dbraw/zinc/12/63/80/185126380.db2.gz NRAJCDXOLKFZPB-GFCCVEGCSA-N 1 0 317.355 3.035 50 0 DGAARO CC(C)(C)c1cc(C(=O)NCCC[NH3+])cc(C(C)(C)C)c1O ZINC000078957252 185134869 /nfs/dbraw/zinc/13/48/69/185134869.db2.gz CAPDDDBKUPWGFL-UHFFFAOYSA-N 1 0 306.450 3.066 50 0 DGAARO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc3cccnc32)cc1 ZINC000079091284 185156901 /nfs/dbraw/zinc/15/69/01/185156901.db2.gz UEMILVPRHIJXTG-LJQANCHMSA-N 1 0 322.408 3.409 50 0 DGAARO COCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079336441 185165658 /nfs/dbraw/zinc/16/56/58/185165658.db2.gz XCUZBBSEKQEABA-IBGZPJMESA-N 1 0 324.424 3.436 50 0 DGAARO CCc1nnc([C@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000328600518 231237733 /nfs/dbraw/zinc/23/77/33/231237733.db2.gz YCYFICJCYAUPDF-OFQRWUPVSA-N 1 0 315.417 3.451 50 0 DGAARO CCN(CC)C(=O)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089967635 185272226 /nfs/dbraw/zinc/27/22/26/185272226.db2.gz WNWFLVKFFGSGSR-UHFFFAOYSA-N 1 0 311.429 3.125 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](CC)C1 ZINC000089949061 185271002 /nfs/dbraw/zinc/27/10/02/185271002.db2.gz HACAQIDAPGULLZ-PBHICJAKSA-N 1 0 313.445 3.295 50 0 DGAARO CCCn1nc(C)c(C[NH2+]Cc2cccc(NC(C)=O)c2)c1C ZINC000089960638 185271967 /nfs/dbraw/zinc/27/19/67/185271967.db2.gz UEFSPSXNMFAUMA-UHFFFAOYSA-N 1 0 314.433 3.158 50 0 DGAARO COc1ccc2[nH]c(CN3CCCC[C@H]([NH+](C)C)C3)c(C)c2c1 ZINC000082098718 192355711 /nfs/dbraw/zinc/35/57/11/192355711.db2.gz OLSADURMOBYBGE-HNNXBMFYSA-N 1 0 315.461 3.401 50 0 DGAARO CSc1ccccc1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000082097967 192354632 /nfs/dbraw/zinc/35/46/32/192354632.db2.gz WSWURAJXEDJWKP-ZDUSSCGKSA-N 1 0 304.459 3.107 50 0 DGAARO CC[C@H](C)c1ccc([C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C(C)C)cc1 ZINC000103317855 432006436 /nfs/dbraw/zinc/00/64/36/432006436.db2.gz YVZLENUKTCTYMI-WOSRLPQWSA-N 1 0 319.449 3.070 50 0 DGAARO Cc1ccc(N2CCC([N@@H+]3CCCC[C@H](N(C)C)C3)CC2)cc1 ZINC000082128007 192359158 /nfs/dbraw/zinc/35/91/58/192359158.db2.gz YJAKYDMXVLAAEO-FQEVSTJZSA-N 1 0 315.505 3.380 50 0 DGAARO CC[C@H](C)c1ccc([C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C(C)C)cc1 ZINC000103317860 432006836 /nfs/dbraw/zinc/00/68/36/432006836.db2.gz YVZLENUKTCTYMI-ZENOOKHLSA-N 1 0 319.449 3.070 50 0 DGAARO Clc1ccc(C[NH2+]CCCCn2cnnc2)c2ncccc12 ZINC000095415524 185358784 /nfs/dbraw/zinc/35/87/84/185358784.db2.gz ROILSPKMPAJQDL-UHFFFAOYSA-N 1 0 315.808 3.050 50 0 DGAARO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000095419781 185360195 /nfs/dbraw/zinc/36/01/95/185360195.db2.gz COLKJQJEDXWCCX-GLJUWKHASA-N 1 0 312.413 3.003 50 0 DGAARO CC(=O)N1CCC(CC[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000095423685 185361315 /nfs/dbraw/zinc/36/13/15/185361315.db2.gz JATOJGVCYLUMCH-GFCCVEGCSA-N 1 0 310.388 3.264 50 0 DGAARO C[C@H](CCCO)[NH2+]Cc1cc(Br)ccc1Cl ZINC000095425782 185361769 /nfs/dbraw/zinc/36/17/69/185361769.db2.gz VXMKHTBCFRPZRX-SECBINFHSA-N 1 0 306.631 3.353 50 0 DGAARO C[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000095427854 185362108 /nfs/dbraw/zinc/36/21/08/185362108.db2.gz JLHGIQTYOUNHNM-CABCVRRESA-N 1 0 316.351 3.426 50 0 DGAARO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000095427544 185362130 /nfs/dbraw/zinc/36/21/30/185362130.db2.gz ARTFSPYINPPLTD-NSHDSACASA-N 1 0 306.406 3.097 50 0 DGAARO C[N@@H+]1CCC[C@H]2CN(C(=O)CCCSC(C)(C)C)CC[C@@H]21 ZINC000095436252 185364920 /nfs/dbraw/zinc/36/49/20/185364920.db2.gz XMENLKXELBYEBF-GJZGRUSLSA-N 1 0 312.523 3.241 50 0 DGAARO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1cncc(F)c1 ZINC000095422121 185360860 /nfs/dbraw/zinc/36/08/60/185360860.db2.gz HAOVAOKSOIUZBQ-IAQYHMDHSA-N 1 0 321.346 3.428 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000095423908 185361028 /nfs/dbraw/zinc/36/10/28/185361028.db2.gz NRKKRGGMOJABBG-YVEFUNNKSA-N 1 0 322.399 3.407 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]CCc2ncc(C)s2)c(OC)c1 ZINC000095423300 185361150 /nfs/dbraw/zinc/36/11/50/185361150.db2.gz DWYQZCGUEHKTDF-GFCCVEGCSA-N 1 0 306.431 3.362 50 0 DGAARO Fc1cc(N2CC[C@H]([NH2+]Cc3cscn3)C2)ccc1Cl ZINC000095448943 185368349 /nfs/dbraw/zinc/36/83/49/185368349.db2.gz LIMBZKDEKCDLMD-JTQLQIEISA-N 1 0 311.813 3.304 50 0 DGAARO CN1CC[C@H]([NH2+]Cc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095437472 185365478 /nfs/dbraw/zinc/36/54/78/185365478.db2.gz LELRQQNRHZALPD-IRXDYDNUSA-N 1 0 319.811 3.409 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 ZINC000095463499 185371298 /nfs/dbraw/zinc/37/12/98/185371298.db2.gz UDNJZZKHWSPBAF-KBXCAEBGSA-N 1 0 317.429 3.443 50 0 DGAARO C[C@@H]1[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000097084857 185407377 /nfs/dbraw/zinc/40/73/77/185407377.db2.gz RRJMXEJJFZUSSD-JQFCIGGWSA-N 1 0 308.416 3.498 50 0 DGAARO C/C=C/C=C/C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522085 432008561 /nfs/dbraw/zinc/00/85/61/432008561.db2.gz XYQCFAOVDGNYGH-DTTRKSNRSA-N 1 0 304.459 3.209 50 0 DGAARO CC(C)c1nc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2o1 ZINC000064968288 432009830 /nfs/dbraw/zinc/00/98/30/432009830.db2.gz SWUPGKWPETUMJI-UHFFFAOYSA-N 1 0 315.417 3.167 50 0 DGAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000178980956 529992797 /nfs/dbraw/zinc/99/27/97/529992797.db2.gz DOUHEUXYFFXDCH-INIZCTEOSA-N 1 0 317.477 3.292 50 0 DGAARO Cc1cc(N[C@H](C)Cc2ccncc2)nc(N2CCCCC2)[nH+]1 ZINC000065382488 432011602 /nfs/dbraw/zinc/01/16/02/432011602.db2.gz XAIXAWRLGAUUHU-CQSZACIVSA-N 1 0 311.433 3.213 50 0 DGAARO CC[C@H](CO)[N@H+](C/C(C)=C/c1ccco1)Cc1ccccn1 ZINC000065382959 432011856 /nfs/dbraw/zinc/01/18/56/432011856.db2.gz RPLNOPIYEIDWIA-GSPCDJLXSA-N 1 0 300.402 3.351 50 0 DGAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](C/C=C\c3ccccc3)C2)n1 ZINC000104065821 432014104 /nfs/dbraw/zinc/01/41/04/432014104.db2.gz UXTXXKRZRVDOOT-SMTIMMHKSA-N 1 0 310.445 3.320 50 0 DGAARO C[C@H](C(=O)Nc1nc(C2CC2)cs1)[C@H]([NH3+])c1ccccc1 ZINC000130342483 432021994 /nfs/dbraw/zinc/02/19/94/432021994.db2.gz DMGJNSJHVRWKJU-HZMBPMFUSA-N 1 0 301.415 3.295 50 0 DGAARO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1 ZINC000106854477 432023530 /nfs/dbraw/zinc/02/35/30/432023530.db2.gz POWYUWMKRVMWIP-MAUKXSAKSA-N 1 0 324.428 3.114 50 0 DGAARO 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XKJXWNRXPNHCRW-MRXNPFEDSA-N 1 0 300.402 3.298 50 0 DGAARO O=C(Cc1ccccc1)[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000072154999 191059522 /nfs/dbraw/zinc/05/95/22/191059522.db2.gz ADIVSKUEMRIXSH-SFHVURJKSA-N 1 0 308.425 3.148 50 0 DGAARO OCc1cc(C[NH2+][C@H]2CCCNc3ccccc32)ccc1F ZINC000225576484 186280014 /nfs/dbraw/zinc/28/00/14/186280014.db2.gz AMCTYVCQTUEZCW-SFHVURJKSA-N 1 0 300.377 3.355 50 0 DGAARO CCN(Cc1ccc2[nH]ccc2c1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000225628265 186284735 /nfs/dbraw/zinc/28/47/35/186284735.db2.gz QXIMMUXCKOIXTL-GOSISDBHSA-N 1 0 311.429 3.143 50 0 DGAARO C[C@@H]1CCCN(C(=O)c2cnc(-c3cccs3)s2)[C@@H]1C[NH3+] ZINC000237451154 186291245 /nfs/dbraw/zinc/29/12/45/186291245.db2.gz SEEQQXVOGDNEQC-GHMZBOCLSA-N 1 0 321.471 3.071 50 0 DGAARO Cc1ccc([C@H](C)NC(=O)[C@H](C[NH3+])c2ccccc2)cc1F ZINC000237499241 186297718 /nfs/dbraw/zinc/29/77/18/186297718.db2.gz FFRJZRWWVUOBNM-XJKSGUPXSA-N 1 0 300.377 3.054 50 0 DGAARO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000107069738 432027219 /nfs/dbraw/zinc/02/72/19/432027219.db2.gz FGXIJVCWNPGSEJ-GDBMZVCRSA-N 1 0 319.449 3.422 50 0 DGAARO CC(C)=CCC[N@@H+]1CCN(Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000072422643 191159052 /nfs/dbraw/zinc/15/90/52/191159052.db2.gz XAAAXFRBOSNQLC-FQEVSTJZSA-N 1 0 316.489 3.220 50 0 DGAARO Cc1nc(CN2CCC[N@H+](CCCc3ccccc3)CC2)co1 ZINC000072431897 191164643 /nfs/dbraw/zinc/16/46/43/191164643.db2.gz SLCWYKKKHKTQOE-UHFFFAOYSA-N 1 0 313.445 3.124 50 0 DGAARO O[C@]1(c2cccs2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000000425749 180786557 /nfs/dbraw/zinc/78/65/57/180786557.db2.gz NCMSWOIXDAJWOR-SFHVURJKSA-N 1 0 313.446 3.398 50 0 DGAARO C[C@@H]1CCc2c(sc3ncnc(NCCC[NH+](C)C)c23)C1 ZINC000001776834 180896044 /nfs/dbraw/zinc/89/60/44/180896044.db2.gz XMQFVSRCQXMPFZ-LLVKDONJSA-N 1 0 304.463 3.180 50 0 DGAARO Cc1cc(C)c(OCCOCC[NH+](C)C)c(Br)c1 ZINC000002822447 180961727 /nfs/dbraw/zinc/96/17/27/180961727.db2.gz RBNZKTBQGMQYAQ-UHFFFAOYSA-N 1 0 316.239 3.023 50 0 DGAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000067713448 432035580 /nfs/dbraw/zinc/03/55/80/432035580.db2.gz QESWZIVBWXUOHD-OAHLLOKOSA-N 1 0 311.429 3.143 50 0 DGAARO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000003351795 181010603 /nfs/dbraw/zinc/01/06/03/181010603.db2.gz ZMMIFRVJPCCYOV-GOSISDBHSA-N 1 0 310.397 3.471 50 0 DGAARO CC(C)c1nc(C(=O)N2CCCC3(CC[NH2+]CC3)CC2)cs1 ZINC000067696664 432036095 /nfs/dbraw/zinc/03/60/95/432036095.db2.gz UZSXMTTYCJNLPJ-UHFFFAOYSA-N 1 0 321.490 3.262 50 0 DGAARO CC(C)Oc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000003439882 181019453 /nfs/dbraw/zinc/01/94/53/181019453.db2.gz VYSCUICDXXFCDV-UHFFFAOYSA-N 1 0 318.461 3.468 50 0 DGAARO Cc1cc(CSC(N)=[NH2+])c(O)c(CCc2ccccc2)n1 ZINC000003877584 181051519 /nfs/dbraw/zinc/05/15/19/181051519.db2.gz VBROGWGOUGAUDN-UHFFFAOYSA-N 1 0 301.415 3.007 50 0 DGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H](C)c3ccccc3)C2=O)cc1 ZINC000004163968 181080327 /nfs/dbraw/zinc/08/03/27/181080327.db2.gz YWJWWPVGOBPONZ-MAUKXSAKSA-N 1 0 322.408 3.020 50 0 DGAARO CCCc1cnc(C)nc1-c1cc(Cl)cc2c1O[C@H](C[NH3+])C2 ZINC000067742261 432038200 /nfs/dbraw/zinc/03/82/00/432038200.db2.gz MADJYQLEISBQEI-AWEZNQCLSA-N 1 0 317.820 3.320 50 0 DGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000067772278 432038914 /nfs/dbraw/zinc/03/89/14/432038914.db2.gz BXACAMDQBQHBOD-MRXNPFEDSA-N 1 0 306.413 3.330 50 0 DGAARO CCOc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004504072 181116257 /nfs/dbraw/zinc/11/62/57/181116257.db2.gz RLQZXBVHJVCYFK-UHFFFAOYSA-N 1 0 304.434 3.124 50 0 DGAARO CC(C)[NH2+]Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000004666907 181134118 /nfs/dbraw/zinc/13/41/18/181134118.db2.gz FMMQPJONICZTNE-UHFFFAOYSA-N 1 0 311.360 3.023 50 0 DGAARO Cc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000004700487 181139068 /nfs/dbraw/zinc/13/90/68/181139068.db2.gz JAXNXOCHHZCPRW-KRWDZBQOSA-N 1 0 314.473 3.466 50 0 DGAARO COc1ccc(C)cc1NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000067783860 432040197 /nfs/dbraw/zinc/04/01/97/432040197.db2.gz PWJBJFKIKBAICT-OAHLLOKOSA-N 1 0 319.449 3.246 50 0 DGAARO COc1ccccc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000004745984 181146645 /nfs/dbraw/zinc/14/66/45/181146645.db2.gz SQUUOBNSBPLQNM-CVEARBPZSA-N 1 0 316.445 3.032 50 0 DGAARO Cc1nc(-c2cccc(-c3cc(C)cc4c3O[C@H](C[NH3+])C4)c2)no1 ZINC000067804397 432041276 /nfs/dbraw/zinc/04/12/76/432041276.db2.gz RMOCYMAYPPXXKM-INIZCTEOSA-N 1 0 321.380 3.283 50 0 DGAARO COc1ccc(Cl)cc1-c1ccccc1CN1CC[NH2+]CC1 ZINC000067851279 432043279 /nfs/dbraw/zinc/04/32/79/432043279.db2.gz PUECZAVZMHILPB-UHFFFAOYSA-N 1 0 316.832 3.421 50 0 DGAARO CC(=O)c1ccccc1OCCOCC[N@H+]1CCC[C@@H](C)C1 ZINC000004868850 181166576 /nfs/dbraw/zinc/16/65/76/181166576.db2.gz MNXAAPKKJAHERF-OAHLLOKOSA-N 1 0 305.418 3.017 50 0 DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000004978699 181183366 /nfs/dbraw/zinc/18/33/66/181183366.db2.gz SVIAQKPKYLBSCN-GOSISDBHSA-N 1 0 302.462 3.384 50 0 DGAARO CC[NH+](CC)CCNc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000005024364 181191992 /nfs/dbraw/zinc/19/19/92/181191992.db2.gz XJAJAZUTRURBAG-UHFFFAOYSA-N 1 0 301.369 3.004 50 0 DGAARO C[NH+]1CCC(Cc2noc(-c3ccc(-c4cc[nH]n4)cc3)n2)CC1 ZINC000067956367 432047732 /nfs/dbraw/zinc/04/77/32/432047732.db2.gz WMHPCOFJKHBESQ-UHFFFAOYSA-N 1 0 323.400 3.011 50 0 DGAARO CC[N@H+](CCO)Cc1csc2cccc(Br)c12 ZINC000005059118 181198489 /nfs/dbraw/zinc/19/84/89/181198489.db2.gz WTKJFQOPWJARHT-UHFFFAOYSA-N 1 0 314.248 3.478 50 0 DGAARO c1coc(-c2nc(C[NH2+]C[C@H]3Cc4ccccc4O3)cs2)c1 ZINC000067968053 432048075 /nfs/dbraw/zinc/04/80/75/432048075.db2.gz DVWLVNAFOVRLPE-CQSZACIVSA-N 1 0 312.394 3.496 50 0 DGAARO CCOc1ccccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000236935325 202079604 /nfs/dbraw/zinc/07/96/04/202079604.db2.gz RDTYJBWGDJANTB-ZDUSSCGKSA-N 1 0 316.367 3.059 50 0 DGAARO C[NH2+]CCCC(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 ZINC000237256598 202207343 /nfs/dbraw/zinc/20/73/43/202207343.db2.gz ZSSVBDPMWITQBK-UHFFFAOYSA-N 1 0 322.412 3.178 50 0 DGAARO C[C@H](CC(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1C(F)(F)F ZINC000178582164 198891478 /nfs/dbraw/zinc/89/14/78/198891478.db2.gz SCVCGCQMQZXPKN-VXGBXAGGSA-N 1 0 314.351 3.006 50 0 DGAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)C1 ZINC000178536168 198884897 /nfs/dbraw/zinc/88/48/97/198884897.db2.gz BLXOEPGJPPURJB-MVIFTORASA-N 1 0 320.845 3.375 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccco1 ZINC000169677981 432071545 /nfs/dbraw/zinc/07/15/45/432071545.db2.gz CTHKFMXALUYYEV-SJLPKXTDSA-N 1 0 317.429 3.458 50 0 DGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000169620462 432071558 /nfs/dbraw/zinc/07/15/58/432071558.db2.gz FICKTBOMIPGRMD-WTTBNOFXSA-N 1 0 314.429 3.041 50 0 DGAARO OCc1cccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000170593769 432073281 /nfs/dbraw/zinc/07/32/81/432073281.db2.gz NZVDIQNHZKRLJU-QGZVFWFLSA-N 1 0 301.361 3.322 50 0 DGAARO C[NH2+]CC1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000237347579 202240175 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C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@@H](C)c1ccccc1 ZINC000194530389 201245400 /nfs/dbraw/zinc/24/54/00/201245400.db2.gz DEGSKNOOQJNBKU-CVEARBPZSA-N 1 0 321.424 3.178 50 0 DGAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000090780107 192932639 /nfs/dbraw/zinc/93/26/39/192932639.db2.gz DOGDSMWIVWTNCD-VLIAUNLRSA-N 1 0 324.424 3.130 50 0 DGAARO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccc(O)c1 ZINC000194938301 201313288 /nfs/dbraw/zinc/31/32/88/201313288.db2.gz UQQAUDWSBUVHQU-UONOGXRCSA-N 1 0 308.385 3.385 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000195536815 201402007 /nfs/dbraw/zinc/40/20/07/201402007.db2.gz TXKJOAZUDIPSSL-UWVGGRQHSA-N 1 0 318.314 3.044 50 0 DGAARO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000195548518 201405084 /nfs/dbraw/zinc/40/50/84/201405084.db2.gz RFDPTZQQZIRLQG-DOTOQJQBSA-N 1 0 301.386 3.376 50 0 DGAARO CCc1cc2c(C[NH+]3CCC(C)CC3)cc(=O)oc2cc1O ZINC000006609616 181360741 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Cc1sc(-c2ccco2)nc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000040062640 183030577 /nfs/dbraw/zinc/03/05/77/183030577.db2.gz AGFMIIBXMIWVOS-UHFFFAOYSA-N 1 0 321.446 3.029 50 0 DGAARO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040160687 183041133 /nfs/dbraw/zinc/04/11/33/183041133.db2.gz KNWMAPIIJQGHQR-UONOGXRCSA-N 1 0 317.351 3.009 50 0 DGAARO CC[N@H+](Cc1cccc(C)c1)Cc1cc(=O)n2ccccc2n1 ZINC000040091298 183033333 /nfs/dbraw/zinc/03/33/33/183033333.db2.gz PJQWGUZMXVHDJG-UHFFFAOYSA-N 1 0 307.397 3.025 50 0 DGAARO NC(=O)NC[C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000040555608 183101837 /nfs/dbraw/zinc/10/18/37/183101837.db2.gz JWEGNPWDCGTFFR-AWEZNQCLSA-N 1 0 321.424 3.137 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2[nH]1)Cc1ccccc1 ZINC000041949087 183226944 /nfs/dbraw/zinc/22/69/44/183226944.db2.gz ZOIDINMJZDRVMF-KRWDZBQOSA-N 1 0 321.424 3.071 50 0 DGAARO O=C(OCc1ccccc1)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000042782922 183309334 /nfs/dbraw/zinc/30/93/34/183309334.db2.gz UWLSSHVMQBKVON-UHFFFAOYSA-N 1 0 311.381 3.174 50 0 DGAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)C1CCC1 ZINC000043211297 183345148 /nfs/dbraw/zinc/34/51/48/183345148.db2.gz LIPDYNOMLGDSOT-UHFFFAOYSA-N 1 0 315.413 3.008 50 0 DGAARO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106135153 194186905 /nfs/dbraw/zinc/18/69/05/194186905.db2.gz UKMKVNKIMRWVEO-HIFRSBDPSA-N 1 0 315.442 3.017 50 0 DGAARO CCCc1noc([C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000048313904 183642644 /nfs/dbraw/zinc/64/26/44/183642644.db2.gz GPWZLGWHLBLCEQ-AWEZNQCLSA-N 1 0 308.470 3.137 50 0 DGAARO CC[C@@H]([NH2+]Cc1c(C)cc(C)c(CO)c1C)c1ccnn1C ZINC000055242726 183973564 /nfs/dbraw/zinc/97/35/64/183973564.db2.gz XNDRDZZCTRNBBC-QGZVFWFLSA-N 1 0 301.434 3.079 50 0 DGAARO Cc1ccc(NC(=O)[C@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000057024242 184025180 /nfs/dbraw/zinc/02/51/80/184025180.db2.gz NTFKDVRIEMNYBT-RBUKOAKNSA-N 1 0 324.424 3.443 50 0 DGAARO CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000057867942 184059016 /nfs/dbraw/zinc/05/90/16/184059016.db2.gz AQJDLFKZPQPQNH-ZDUSSCGKSA-N 1 0 314.351 3.054 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CCCCC3)C2)CC1 ZINC000057924563 184062905 /nfs/dbraw/zinc/06/29/05/184062905.db2.gz MGZCMHKOZHCAQF-KRWDZBQOSA-N 1 0 321.509 3.473 50 0 DGAARO c1cc(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)n[nH]1 ZINC000058218592 184089711 /nfs/dbraw/zinc/08/97/11/184089711.db2.gz NCGKKLCTZVEMSP-UHFFFAOYSA-N 1 0 308.385 3.444 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCCc2ccccc21 ZINC000058143858 184080884 /nfs/dbraw/zinc/08/08/84/184080884.db2.gz QKFCKSODGLQKOW-DOTOQJQBSA-N 1 0 317.502 3.012 50 0 DGAARO COCc1ccccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000058155492 184081394 /nfs/dbraw/zinc/08/13/94/184081394.db2.gz COQFDLHSDABPOK-DNVCBOLYSA-N 1 0 318.461 3.073 50 0 DGAARO O=C(C[NH2+]Cc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 ZINC000058160848 184082099 /nfs/dbraw/zinc/08/20/99/184082099.db2.gz KXOLXCZNQSZOHA-SFHVURJKSA-N 1 0 312.388 3.109 50 0 DGAARO Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000058378318 184110085 /nfs/dbraw/zinc/11/00/85/184110085.db2.gz QEIZAORKJXJENY-OALUTQOASA-N 1 0 311.425 3.224 50 0 DGAARO C[C@H](C(=O)NC1CC1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058281909 184099414 /nfs/dbraw/zinc/09/94/14/184099414.db2.gz BXJLVIUMZJRNLC-CYBMUJFWSA-N 1 0 311.429 3.014 50 0 DGAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1sccc1-c1ccccc1 ZINC000058393122 184111609 /nfs/dbraw/zinc/11/16/09/184111609.db2.gz BHVLJRSBMGIQHU-AWEZNQCLSA-N 1 0 312.438 3.382 50 0 DGAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cccc(C(F)(F)F)c1 ZINC000058296410 184102481 /nfs/dbraw/zinc/10/24/81/184102481.db2.gz HSQXVJOLVOWATQ-RYUDHWBXSA-N 1 0 324.350 3.294 50 0 DGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000058393342 184112685 /nfs/dbraw/zinc/11/26/85/184112685.db2.gz PMZNLUVXQLVCPI-MRXNPFEDSA-N 1 0 318.852 3.225 50 0 DGAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2Cl)C1 ZINC000058406265 184113824 /nfs/dbraw/zinc/11/38/24/184113824.db2.gz ZHASJDNSDCBEQY-GFCCVEGCSA-N 1 0 312.816 3.329 50 0 DGAARO Brc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000060079752 184144195 /nfs/dbraw/zinc/14/41/95/184144195.db2.gz VTYAERNNICBBRO-OAHLLOKOSA-N 1 0 309.251 3.119 50 0 DGAARO C[NH2+][C@@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(Cl)cc1 ZINC000061886121 184192035 /nfs/dbraw/zinc/19/20/35/184192035.db2.gz KHCZBRQXKFBDLU-DOTOQJQBSA-N 1 0 303.789 3.498 50 0 DGAARO Cc1nn(-c2ccccc2)c(C)c1CN1CC[NH+](C(C)C)CC1 ZINC000065154914 184312692 /nfs/dbraw/zinc/31/26/92/184312692.db2.gz HCGGSEFSKJAZPM-UHFFFAOYSA-N 1 0 312.461 3.015 50 0 DGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cnoc2-c2ccccc2)C1 ZINC000065288888 184323453 /nfs/dbraw/zinc/32/34/53/184323453.db2.gz OVDDMOHZQUSKKQ-OAHLLOKOSA-N 1 0 314.385 3.117 50 0 DGAARO C[C@@H](c1cccc(-c2nnnn2-c2ccccc2)c1)[NH+]1CCCC1 ZINC000065370529 184329177 /nfs/dbraw/zinc/32/91/77/184329177.db2.gz JWYTVXMJFRFGSZ-HNNXBMFYSA-N 1 0 319.412 3.486 50 0 DGAARO COc1ccc(OCC[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000065372265 184330212 /nfs/dbraw/zinc/33/02/12/184330212.db2.gz QICVTGQJDGXJAY-UHFFFAOYSA-N 1 0 312.413 3.349 50 0 DGAARO OCc1ccc(C[N@@H+]2CCC[C@@H](COc3ccccc3F)C2)o1 ZINC000065375138 184331236 /nfs/dbraw/zinc/33/12/36/184331236.db2.gz NCHFHYIEZVIYBU-CQSZACIVSA-N 1 0 319.376 3.202 50 0 DGAARO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(F)cc(F)c1 ZINC000065426497 184342679 /nfs/dbraw/zinc/34/26/79/184342679.db2.gz MTICKOZNNRHTGL-LBPRGKRZSA-N 1 0 310.388 3.454 50 0 DGAARO [NH3+]CCc1nc2ccccc2c(N[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000065435554 184344981 /nfs/dbraw/zinc/34/49/81/184344981.db2.gz RGXAGJDXJITALI-DOTOQJQBSA-N 1 0 304.397 3.099 50 0 DGAARO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000065458819 184348591 /nfs/dbraw/zinc/34/85/91/184348591.db2.gz IEULIWPVPQGWJI-YOEHRIQHSA-N 1 0 314.433 3.157 50 0 DGAARO C[C@@H](CCc1ccccc1)[NH2+]CCn1ncc2ccccc2c1=O ZINC000065461769 184348887 /nfs/dbraw/zinc/34/88/87/184348887.db2.gz PURZUIHRYDRSGY-INIZCTEOSA-N 1 0 321.424 3.007 50 0 DGAARO O=C(N1CCC[C@@H]1c1nccs1)C1([NH+]2CCCC2)CCCC1 ZINC000065404105 184338041 /nfs/dbraw/zinc/33/80/41/184338041.db2.gz HREXYCMLHRKMDP-CQSZACIVSA-N 1 0 319.474 3.215 50 0 DGAARO Cc1ccsc1CCNc1nc(CC[NH3+])nc2ccccc21 ZINC000065527851 184360083 /nfs/dbraw/zinc/36/00/83/184360083.db2.gz JJYCHKBIZDXEDW-UHFFFAOYSA-N 1 0 312.442 3.156 50 0 DGAARO CCc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)nc1 ZINC000065527660 184360499 /nfs/dbraw/zinc/36/04/99/184360499.db2.gz WEBMGYWHLRXWAL-RBUKOAKNSA-N 1 0 314.404 3.134 50 0 DGAARO C[NH+](C)C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000065529508 184361159 /nfs/dbraw/zinc/36/11/59/184361159.db2.gz STIHGHRKJICCKQ-UHFFFAOYSA-N 1 0 306.793 3.252 50 0 DGAARO C[NH2+]CC(=O)N(Cc1ccc(F)cc1)[C@H](C)c1ccccc1 ZINC000065533559 184361780 /nfs/dbraw/zinc/36/17/80/184361780.db2.gz OYGHACVVNUTSDE-CQSZACIVSA-N 1 0 300.377 3.135 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]CCCn1cnc2ccccc21 ZINC000065519795 184358765 /nfs/dbraw/zinc/35/87/65/184358765.db2.gz HCYMDGBWGAMOFC-UHFFFAOYSA-N 1 0 311.433 3.237 50 0 DGAARO CC(C)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065625595 184375608 /nfs/dbraw/zinc/37/56/08/184375608.db2.gz FPCZEERIIPDADB-ROUUACIJSA-N 1 0 300.446 3.298 50 0 DGAARO COc1cc(C)c(-c2ccc(F)c3c2O[C@@H](C[NH3+])C3)cc1C ZINC000067818176 184486761 /nfs/dbraw/zinc/48/67/61/184486761.db2.gz VSYDAHAATKLSDM-GFCCVEGCSA-N 1 0 301.361 3.380 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)CCCc2cc(C)sc2C)C1 ZINC000159109482 197327914 /nfs/dbraw/zinc/32/79/14/197327914.db2.gz KVMPXNVHNWGTFI-OAHLLOKOSA-N 1 0 308.491 3.146 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(C)c(Cl)c2)C1 ZINC000255298093 285143326 /nfs/dbraw/zinc/14/33/26/285143326.db2.gz IYLULYFBRTUUSA-ZPIQOJFGSA-N 1 0 306.837 3.120 50 0 DGAARO CCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000255592020 285167263 /nfs/dbraw/zinc/16/72/63/285167263.db2.gz AOTRFWLVBJWADI-QIAWRQBBSA-N 1 0 312.413 3.076 50 0 DGAARO Cc1cc(C[NH+](C)C)cc(NC2CCC3(CC2)OCCO3)c1 ZINC000157479995 197191135 /nfs/dbraw/zinc/19/11/35/197191135.db2.gz VYGHWFZOELVFFM-UHFFFAOYSA-N 1 0 304.434 3.154 50 0 DGAARO Cc1cc(CCCC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000156585148 197125612 /nfs/dbraw/zinc/12/56/12/197125612.db2.gz KOMFGYGWPLYDQL-CJNGLKHVSA-N 1 0 308.491 3.273 50 0 DGAARO O=C(c1cc2cc(F)ccc2s1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289345677 220899611 /nfs/dbraw/zinc/89/96/11/220899611.db2.gz XKPGVBNMEMRCMN-KRWDZBQOSA-N 1 0 318.417 3.256 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@H]1C ZINC000241588525 256603662 /nfs/dbraw/zinc/60/36/62/256603662.db2.gz PDVMMRMQRQRNPA-JKIFEVAISA-N 1 0 309.475 3.146 50 0 DGAARO CN(CCOc1ccc(Cl)cc1)CC(=O)NC1CCCCC1 ZINC000008120762 257230229 /nfs/dbraw/zinc/23/02/29/257230229.db2.gz RMHYXRGXGQQFNQ-UHFFFAOYSA-N 1 0 324.852 3.100 50 0 DGAARO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237509116 257238265 /nfs/dbraw/zinc/23/82/65/257238265.db2.gz SOUDLPMMZBLNAH-DZKIICNBSA-N 1 0 318.461 3.090 50 0 DGAARO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)c2c1 ZINC000237617982 257238671 /nfs/dbraw/zinc/23/86/71/257238671.db2.gz ZUYSMXNBROHSBM-DZGCQCFKSA-N 1 0 323.440 3.372 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000237409045 257239291 /nfs/dbraw/zinc/23/92/91/257239291.db2.gz RZRRUXZCAVOBOP-HTQZYQBOSA-N 1 0 305.180 3.084 50 0 DGAARO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)c2c1 ZINC000237412848 257239721 /nfs/dbraw/zinc/23/97/21/257239721.db2.gz ZUYSMXNBROHSBM-UKRRQHHQSA-N 1 0 323.440 3.372 50 0 DGAARO c1cc2c(s1)CCC[C@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC000095419800 285460110 /nfs/dbraw/zinc/46/01/10/285460110.db2.gz XSVFOFORDNFKBB-CQSZACIVSA-N 1 0 316.474 3.276 50 0 DGAARO Cc1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)OCCO2 ZINC000215299633 292010391 /nfs/dbraw/zinc/01/03/91/292010391.db2.gz ARNAICARNVYIDK-UHFFFAOYSA-N 1 0 317.429 3.159 50 0 DGAARO CC(=O)Nc1ccc(C)c(NC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000006216022 400090943 /nfs/dbraw/zinc/09/09/43/400090943.db2.gz HYYITHLPWOOUGY-KBPBESRZSA-N 1 0 317.433 3.155 50 0 DGAARO COCC1(C(=O)NCC[C@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC000584899397 400123491 /nfs/dbraw/zinc/12/34/91/400123491.db2.gz VRZZWHZZPKFKSS-QGZVFWFLSA-N 1 0 322.493 3.107 50 0 DGAARO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ncc(Cl)n1C ZINC000585134725 400127056 /nfs/dbraw/zinc/12/70/56/400127056.db2.gz HPBPOGIFLMZVMR-QWHCGFSZSA-N 1 0 322.840 3.154 50 0 DGAARO O=c1oc2ccccc2n1CC[N@H+](Cc1ccsc1)C1CC1 ZINC000067411935 400168232 /nfs/dbraw/zinc/16/82/32/400168232.db2.gz MYHQQVTVBGLSHV-UHFFFAOYSA-N 1 0 314.410 3.321 50 0 DGAARO C(=C/c1ccccc1)\CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000023283334 400208629 /nfs/dbraw/zinc/20/86/29/400208629.db2.gz QQDKMFCOKNYNFZ-RMKNXTFCSA-N 1 0 318.464 3.485 50 0 DGAARO O=C1c2ccccc2OC[C@@H]1C[NH2+]CCCCc1ccccc1 ZINC000096026813 400273891 /nfs/dbraw/zinc/27/38/91/400273891.db2.gz KNBOCRYYDJSWLS-KRWDZBQOSA-N 1 0 309.409 3.490 50 0 DGAARO Cc1ccc(S(=O)(=O)CCC2([NH+](C)C)CCCCC2)cc1 ZINC000096027432 400274304 /nfs/dbraw/zinc/27/43/04/400274304.db2.gz OIFBYPCWRRQKQT-UHFFFAOYSA-N 1 0 309.475 3.423 50 0 DGAARO CN(CC[NH+]1CC2CCC(CC2)C1)C(=O)c1ccc(F)cc1 ZINC000096027324 400274415 /nfs/dbraw/zinc/27/44/15/400274415.db2.gz NIQIHGIRPBTJEO-UHFFFAOYSA-N 1 0 304.409 3.020 50 0 DGAARO CCOC(=O)NCCC[N@H+](CC)C12CC3CC(CC(C3)C1)C2 ZINC000096027359 400274497 /nfs/dbraw/zinc/27/44/97/400274497.db2.gz DDTOZTIFYGOCHM-UHFFFAOYSA-N 1 0 308.466 3.413 50 0 DGAARO c1cc(-c2noc(CN3CCCN(c4ccccc4)CC3)n2)co1 ZINC000105608292 400323469 /nfs/dbraw/zinc/32/34/69/400323469.db2.gz GTOQAYCUIHUCAJ-UHFFFAOYSA-N 1 0 324.384 3.042 50 0 DGAARO C[C@@H](NC(=O)CC[N@H+](C)Cc1cccc(O)c1)c1ccccc1 ZINC000072308183 400381483 /nfs/dbraw/zinc/38/14/83/400381483.db2.gz MQSZWSSXEZPXPI-OAHLLOKOSA-N 1 0 312.413 3.092 50 0 DGAARO O=C([C@H]1CC12CCCC2)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072310343 400381544 /nfs/dbraw/zinc/38/15/44/400381544.db2.gz VHNOKBHGBRRZLM-MRXNPFEDSA-N 1 0 318.486 3.363 50 0 DGAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1cccnc1 ZINC000106909209 400332900 /nfs/dbraw/zinc/33/29/00/400332900.db2.gz KGYSGEAUBFJHIR-DJIMGWMZSA-N 1 0 301.434 3.008 50 0 DGAARO CS[C@@H]1CCC[C@H]1[N@H+](C)CC(=O)N[C@H](C)c1cccs1 ZINC000110642546 400358786 /nfs/dbraw/zinc/35/87/86/400358786.db2.gz JFAKIHSRALTZPJ-YRGRVCCFSA-N 1 0 312.504 3.141 50 0 DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000071882222 400372141 /nfs/dbraw/zinc/37/21/41/400372141.db2.gz LQTXGYFNSLUSRN-UONOGXRCSA-N 1 0 313.405 3.222 50 0 DGAARO COc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1C ZINC000071857001 400372411 /nfs/dbraw/zinc/37/24/11/400372411.db2.gz BKXDJDFXBLWHLB-MRXNPFEDSA-N 1 0 317.433 3.096 50 0 DGAARO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000072254094 400375952 /nfs/dbraw/zinc/37/59/52/400375952.db2.gz BNBPVWPBKBSWPQ-QCUIPMNBSA-N 1 0 308.429 3.139 50 0 DGAARO Cc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)s1 ZINC000076042624 400629104 /nfs/dbraw/zinc/62/91/04/400629104.db2.gz GJMKCOZSQCANSK-WMLDXEAASA-N 1 0 319.474 3.274 50 0 DGAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1cnn2ccccc12 ZINC000075584085 400597376 /nfs/dbraw/zinc/59/73/76/400597376.db2.gz SVWVUFFKVXOPTA-INIZCTEOSA-N 1 0 323.444 3.453 50 0 DGAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)cc1 ZINC000000261028 292160681 /nfs/dbraw/zinc/16/06/81/292160681.db2.gz LZPVELUNNUNSIJ-UHFFFAOYSA-N 1 0 305.491 3.496 50 0 DGAARO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCCC[C@@H]2C)o1 ZINC000162409047 400745663 /nfs/dbraw/zinc/74/56/63/400745663.db2.gz CRWYEIAFULYWPF-GXTWGEPZSA-N 1 0 301.390 3.414 50 0 DGAARO CCCCS[C@@H](C)C(=O)N(CC)C[C@H]1CCC[N@@H+]1CC ZINC000170599154 400764492 /nfs/dbraw/zinc/76/44/92/400764492.db2.gz ZXELEAJHYFKAAB-LSDHHAIUSA-N 1 0 300.512 3.241 50 0 DGAARO C[C@H](C1CC1)[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000170602787 400764566 /nfs/dbraw/zinc/76/45/66/400764566.db2.gz XQFRXJPXDCJLQN-LLVKDONJSA-N 1 0 310.800 3.035 50 0 DGAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCc1ccc(Cl)cc1 ZINC000613659845 400771307 /nfs/dbraw/zinc/77/13/07/400771307.db2.gz QQFMWALWSIGJTN-HZPDHXFCSA-N 1 0 308.853 3.262 50 0 DGAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cccc3[nH]ccc32)cn1 ZINC000078880588 400830581 /nfs/dbraw/zinc/83/05/81/400830581.db2.gz WJUVALKYSXEMCN-DNVCBOLYSA-N 1 0 324.428 3.252 50 0 DGAARO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(n3cncn3)CC2)C1 ZINC000189826526 400909410 /nfs/dbraw/zinc/90/94/10/400909410.db2.gz RLGYUUYQIYMJSI-RTBURBONSA-N 1 0 310.445 3.425 50 0 DGAARO OC[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000190515864 400910711 /nfs/dbraw/zinc/91/07/11/400910711.db2.gz HOWLDFUQVVQJOQ-MCIONIFRSA-N 1 0 317.351 3.006 50 0 DGAARO C[NH+](C)CCCC(C)(C)NC(=O)C/C=C\Cc1ccccc1 ZINC000606444856 400912820 /nfs/dbraw/zinc/91/28/20/400912820.db2.gz OLXHWKVSRUTIGG-HJWRWDBZSA-N 1 0 302.462 3.412 50 0 DGAARO CC(C)(O)CSCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000195557656 400925692 /nfs/dbraw/zinc/92/56/92/400925692.db2.gz SBLNFJXRPHZCFF-AWEZNQCLSA-N 1 0 313.438 3.133 50 0 DGAARO Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000245343842 401004895 /nfs/dbraw/zinc/00/48/95/401004895.db2.gz VZEHTFKFVMELPT-SOLBZPMBSA-N 1 0 317.477 3.346 50 0 DGAARO C[C@@H](c1ccccc1F)N(C(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000225487678 400958633 /nfs/dbraw/zinc/95/86/33/400958633.db2.gz ZVFKEOUWIZALOL-ZDUSSCGKSA-N 1 0 304.409 3.267 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC000248162471 401067726 /nfs/dbraw/zinc/06/77/26/401067726.db2.gz YHKWPELUJJITLL-HUUCEWRRSA-N 1 0 304.459 3.324 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H]1c1ccco1)CC(C)C ZINC000248247449 401068426 /nfs/dbraw/zinc/06/84/26/401068426.db2.gz HQUVDDNSJNQEAF-XHSDSOJGSA-N 1 0 306.450 3.256 50 0 DGAARO c1cc2c(c(CNC3CC[NH+](CC4CCCC4)CC3)c1)OCO2 ZINC000063319708 401188402 /nfs/dbraw/zinc/18/84/02/401188402.db2.gz RVUBGABVMKMFQW-UHFFFAOYSA-N 1 0 316.445 3.160 50 0 DGAARO O=C(NCCC[NH+]1CCCC1)c1cc2cn(C3CC3)cc2s1 ZINC000065285705 401263009 /nfs/dbraw/zinc/26/30/09/401263009.db2.gz 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ZINC000269264264 432157394 /nfs/dbraw/zinc/15/73/94/432157394.db2.gz KIRVNTZQTGCRDV-VQIMIIECSA-N 1 0 322.452 3.477 50 0 DGAARO Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)c(F)c2)cc1 ZINC000178520436 228342477 /nfs/dbraw/zinc/34/24/77/228342477.db2.gz KRKNLGQBTMNWPB-AWEZNQCLSA-N 1 0 312.388 3.222 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)C1 ZINC000299740022 229375335 /nfs/dbraw/zinc/37/53/35/229375335.db2.gz USRQYFKZXPHBRG-MXYBEHONSA-N 1 0 306.837 3.029 50 0 DGAARO CN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CC[NH2+]C1 ZINC000179066956 263550876 /nfs/dbraw/zinc/55/08/76/263550876.db2.gz ZJUFGKHWAOFFHA-NSHDSACASA-N 1 0 304.777 3.034 50 0 DGAARO OCC[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000270416440 432244369 /nfs/dbraw/zinc/24/43/69/432244369.db2.gz DHGAVJJMKGCRFD-HCXYKTFWSA-N 1 0 315.457 3.090 50 0 DGAARO CC1CC[NH+]([C@@H]2CCC(=O)N(Cc3ccc(F)cc3)CC2)CC1 ZINC000023582181 273599591 /nfs/dbraw/zinc/59/95/91/273599591.db2.gz VNNJNIKBADQUSB-GOSISDBHSA-N 1 0 318.436 3.439 50 0 DGAARO CCC[C@@H](C)[NH+]1CCC2(CC1)Nc1ccccc1N(CC)C2=O ZINC000063884100 273616611 /nfs/dbraw/zinc/61/66/11/273616611.db2.gz SNRIHRUUKPSUQC-OAHLLOKOSA-N 1 0 315.461 3.488 50 0 DGAARO CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC000102074132 274085521 /nfs/dbraw/zinc/08/55/21/274085521.db2.gz LQYQOUPKYQLHPD-MCBXIFIFSA-N 1 0 302.393 3.472 50 0 DGAARO CO[C@]12CC[N@H+](Cc3cc(C)c(C)cc3C)[C@H]1C[C@H](O)CC2 ZINC000426584999 274087390 /nfs/dbraw/zinc/08/73/90/274087390.db2.gz ZPGOBALFJMYBTB-CEXWTWQISA-N 1 0 303.446 3.116 50 0 DGAARO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@H]1COc2ccccc21 ZINC000090845615 274244278 /nfs/dbraw/zinc/24/42/78/274244278.db2.gz VQUZHJIGVSBJBN-CRAIPNDOSA-N 1 0 323.440 3.205 50 0 DGAARO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])c2cc(Cl)ccc2n1 ZINC000096130687 274677793 /nfs/dbraw/zinc/67/77/93/274677793.db2.gz HYOYIGDKYFEXMR-ZDUSSCGKSA-N 1 0 317.820 3.150 50 0 DGAARO c1ccc2c(c1)oc1c2ncnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000095469696 275071654 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COc1ccccc1[C@@H]1N(O)C(C)(C)C(c2ccccc2)[N+]1=O ZINC000000191886 278061024 /nfs/dbraw/zinc/06/10/24/278061024.db2.gz KUTABYUABZUUCP-KRWDZBQOSA-N 1 0 312.369 3.177 50 0 DGAARO CC(=O)N1[C@@H]([NH2+]C2CCCCC2)C[C@H](C)N1c1ccccc1 ZINC000004723600 278075100 /nfs/dbraw/zinc/07/51/00/278075100.db2.gz ZKJKFUBVDNZNIV-KBXCAEBGSA-N 1 0 301.434 3.297 50 0 DGAARO C[C@@H](CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000090518247 278233962 /nfs/dbraw/zinc/23/39/62/278233962.db2.gz RBUMWEATONXZAT-XLDJFRKUSA-N 1 0 307.459 3.180 50 0 DGAARO C[C@@H]([NH3+])[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000021948396 278316254 /nfs/dbraw/zinc/31/62/54/278316254.db2.gz KKBVMNKYVQAAIK-CXAGYDPISA-N 1 0 319.449 3.098 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000021813533 278357267 /nfs/dbraw/zinc/35/72/67/278357267.db2.gz GMSNIYJXMABJJS-GFCCVEGCSA-N 1 0 307.390 3.080 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000012760697 278489602 /nfs/dbraw/zinc/48/96/02/278489602.db2.gz SVTMYFSTVMOJMI-GJZGRUSLSA-N 1 0 318.465 3.305 50 0 DGAARO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2CCSCC2)C1=O ZINC000095398197 278700780 /nfs/dbraw/zinc/70/07/80/278700780.db2.gz FAEHTTRUVPCCCP-OAHLLOKOSA-N 1 0 322.449 3.115 50 0 DGAARO Cc1ccc([C@H](O)C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000108089688 431121404 /nfs/dbraw/zinc/12/14/04/431121404.db2.gz SQEYKBCFCWYXQL-JRGCBEDISA-N 1 0 324.468 3.454 50 0 DGAARO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000343880460 279030546 /nfs/dbraw/zinc/03/05/46/279030546.db2.gz QBMUJZROEADCQJ-WHOFXGATSA-N 1 0 322.836 3.058 50 0 DGAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C(C)C ZINC000079067664 279110936 /nfs/dbraw/zinc/11/09/36/279110936.db2.gz WNHNUVPMQAUJAN-UHFFFAOYSA-N 1 0 307.438 3.279 50 0 DGAARO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000097034476 279389522 /nfs/dbraw/zinc/38/95/22/279389522.db2.gz BCGZDQBKUYFISC-GHMZBOCLSA-N 1 0 304.781 3.417 50 0 DGAARO COc1ccc(C(=O)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000000314158 431165116 /nfs/dbraw/zinc/16/51/16/431165116.db2.gz ARZYLHULRGEVPI-UHFFFAOYSA-N 1 0 316.445 3.176 50 0 DGAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)[C@H](C)n1cccn1 ZINC000069434598 431185862 /nfs/dbraw/zinc/18/58/62/431185862.db2.gz NPJUIGHPMBVODV-GJZGRUSLSA-N 1 0 307.401 3.079 50 0 DGAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(N2CCCC2)c1 ZINC000069527576 431194286 /nfs/dbraw/zinc/19/42/86/431194286.db2.gz UHFWOXOCVDFNNR-KRWDZBQOSA-N 1 0 319.424 3.239 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1ccccc1 ZINC000069517965 431194775 /nfs/dbraw/zinc/19/47/75/431194775.db2.gz WBIOZJPZACILNG-ROUUACIJSA-N 1 0 300.446 3.095 50 0 DGAARO C[NH+]1CCC(OC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000000523633 431196490 /nfs/dbraw/zinc/19/64/90/431196490.db2.gz WWQKUFMZLAMMJO-UHFFFAOYSA-N 1 0 318.200 3.010 50 0 DGAARO Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC000069601366 431202672 /nfs/dbraw/zinc/20/26/72/431202672.db2.gz FRBDTGHNDFXITC-RRQGHBQHSA-N 1 0 304.434 3.085 50 0 DGAARO NC(=O)C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000000757152 431207752 /nfs/dbraw/zinc/20/77/52/431207752.db2.gz NQCXKJMVFZAXLJ-UHFFFAOYSA-N 1 0 308.425 3.016 50 0 DGAARO Cc1ccccc1CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000069661395 431208565 /nfs/dbraw/zinc/20/85/65/431208565.db2.gz VZKSPXSARLYPDK-QZTJIDSGSA-N 1 0 300.446 3.013 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC000069699785 431213305 /nfs/dbraw/zinc/21/33/05/431213305.db2.gz NGWGUYMFIHZAEM-CABCVRRESA-N 1 0 310.800 3.178 50 0 DGAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000069771507 431219180 /nfs/dbraw/zinc/21/91/80/431219180.db2.gz OLSKGRSJTGAYCX-LLVKDONJSA-N 1 0 318.314 3.011 50 0 DGAARO Oc1cccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3F)c2)c1 ZINC000069774401 431219197 /nfs/dbraw/zinc/21/91/97/431219197.db2.gz LTKCAJQDMOJHBA-UHFFFAOYSA-N 1 0 315.323 3.146 50 0 DGAARO CCOC1CC[NH+](CCc2ncc(-c3ccccc3)o2)CC1 ZINC000069816831 431226789 /nfs/dbraw/zinc/22/67/89/431226789.db2.gz MTAICJSQNLLHJY-UHFFFAOYSA-N 1 0 300.402 3.385 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000069929860 431231641 /nfs/dbraw/zinc/23/16/41/431231641.db2.gz GPJHKHZOWNTIST-RTBURBONSA-N 1 0 323.440 3.210 50 0 DGAARO O=C(c1cc(F)ccc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000069980593 431237039 /nfs/dbraw/zinc/23/70/39/431237039.db2.gz RVLIMPIUPBYNPX-CQSZACIVSA-N 1 0 308.372 3.055 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000070039938 431237910 /nfs/dbraw/zinc/23/79/10/431237910.db2.gz GELPVQIWAMRQFT-IAGOWNOFSA-N 1 0 324.827 3.454 50 0 DGAARO C[N@H+](CCOC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000001835139 431239389 /nfs/dbraw/zinc/23/93/89/431239389.db2.gz NFGBCARGVKADJN-UHFFFAOYSA-N 1 0 314.223 3.336 50 0 DGAARO C[NH+](C)CCCNc1nc(-c2ccncc2)nc2ccccc21 ZINC000002255247 431249359 /nfs/dbraw/zinc/24/93/59/431249359.db2.gz ZKZSRTDUPLWYSS-UHFFFAOYSA-N 1 0 307.401 3.055 50 0 DGAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)C1CCC1 ZINC000002514761 431254302 /nfs/dbraw/zinc/25/43/02/431254302.db2.gz KJOSQNOIHWKPFR-UHFFFAOYSA-N 1 0 315.413 3.008 50 0 DGAARO c1ccc([C@H]2C[N@@H+](Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071404221 431278775 /nfs/dbraw/zinc/27/87/75/431278775.db2.gz DPDHLXQRNKVUNR-NJDAHSKKSA-N 1 0 319.452 3.144 50 0 DGAARO CC[N@@H+]1CCC[C@@H](c2nccn2-c2cccc(-c3cc[nH]n3)c2)C1 ZINC000071422398 431279764 /nfs/dbraw/zinc/27/97/64/431279764.db2.gz GJUZAEGWPGLLNJ-MRXNPFEDSA-N 1 0 321.428 3.462 50 0 DGAARO Fc1cccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000071792606 431286248 /nfs/dbraw/zinc/28/62/48/431286248.db2.gz RLEIYIHJGHYRFJ-UHFFFAOYSA-N 1 0 313.420 3.017 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000003341074 431289453 /nfs/dbraw/zinc/28/94/53/431289453.db2.gz XAXHIPVGEGGUJJ-MRXNPFEDSA-N 1 0 308.381 3.466 50 0 DGAARO CC1(C)CC(NC(=O)/C=C/c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000003242581 431291181 /nfs/dbraw/zinc/29/11/81/431291181.db2.gz OQCQWAAXYMQVCI-JXMROGBWSA-N 1 0 304.409 3.264 50 0 DGAARO C[C@@H]1C(c2ccc(F)cc2)[N+](=O)[C@](C)(c2ccccc2)N1O ZINC000004833421 431302953 /nfs/dbraw/zinc/30/29/53/431302953.db2.gz OYIXZKPXBNPMNM-SJKOYZFVSA-N 1 0 300.333 3.091 50 0 DGAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCc1ccccc1Cl ZINC000071880544 431304510 /nfs/dbraw/zinc/30/45/10/431304510.db2.gz KEPSGZVQVMIMLN-ROUUACIJSA-N 1 0 320.864 3.358 50 0 DGAARO C/C=C1\C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000004824953 431305282 /nfs/dbraw/zinc/30/52/82/431305282.db2.gz VBKQRUUVDAWDIP-KHVMLUJASA-N 1 0 310.397 3.014 50 0 DGAARO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1COC)[NH+](C)C ZINC000071920198 431315832 /nfs/dbraw/zinc/31/58/32/431315832.db2.gz JLXFMKCFSALMAA-QGZVFWFLSA-N 1 0 321.465 3.321 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000002645140 431261299 /nfs/dbraw/zinc/26/12/99/431261299.db2.gz PLCOWYWDBBRCQR-KRWDZBQOSA-N 1 0 316.832 3.302 50 0 DGAARO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000002686980 431263001 /nfs/dbraw/zinc/26/30/01/431263001.db2.gz WRJLNDUZTGPAJR-QGZVFWFLSA-N 1 0 317.816 3.138 50 0 DGAARO CC(C)[NH+]1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000071922126 431318047 /nfs/dbraw/zinc/31/80/47/431318047.db2.gz XLNWILPLLGZNFZ-UHFFFAOYSA-N 1 0 300.418 3.083 50 0 DGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCOc2cccc(C)c2C)C1 ZINC000006727820 431319675 /nfs/dbraw/zinc/31/96/75/431319675.db2.gz PWVWXJZNMITSMN-KRWDZBQOSA-N 1 0 319.445 3.347 50 0 DGAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000072167277 431333024 /nfs/dbraw/zinc/33/30/24/431333024.db2.gz DIOMLRSXTSXCFY-HXUWFJFHSA-N 1 0 322.456 3.278 50 0 DGAARO Cc1cc(C)c(NC(=S)N2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC000007325791 431342335 /nfs/dbraw/zinc/34/23/35/431342335.db2.gz DVAOLDQANJYOHO-UHFFFAOYSA-N 1 0 311.882 3.291 50 0 DGAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000009062534 431420145 /nfs/dbraw/zinc/42/01/45/431420145.db2.gz LHBZPBNPZBCFEJ-UHFFFAOYSA-N 1 0 320.436 3.488 50 0 DGAARO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccnc2)CC1 ZINC000009062902 431421451 /nfs/dbraw/zinc/42/14/51/431421451.db2.gz JFQXCIVJYWSJLA-UHFFFAOYSA-N 1 0 309.413 3.241 50 0 DGAARO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)o1 ZINC000008191513 431384747 /nfs/dbraw/zinc/38/47/47/431384747.db2.gz OTWXAWWHACLYME-UHFFFAOYSA-N 1 0 312.413 3.422 50 0 DGAARO CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000008324563 431393714 /nfs/dbraw/zinc/39/37/14/431393714.db2.gz MLFWPKPLDGLVEF-ZDUSSCGKSA-N 1 0 314.223 3.116 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000008752869 431411258 /nfs/dbraw/zinc/41/12/58/431411258.db2.gz HUPPGRGUNSEHGK-INIZCTEOSA-N 1 0 301.365 3.250 50 0 DGAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000010383771 431459017 /nfs/dbraw/zinc/45/90/17/431459017.db2.gz CLDPFFQOCOTUIH-XXZQBKANSA-N 1 0 321.505 3.455 50 0 DGAARO CC(C)c1ccc(CCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000010450170 431464421 /nfs/dbraw/zinc/46/44/21/431464421.db2.gz LFPFVGJWQCNMPX-UHFFFAOYSA-N 1 0 302.462 3.345 50 0 DGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1F ZINC000027582287 279849363 /nfs/dbraw/zinc/84/93/63/279849363.db2.gz LUYMJCROEYTLTI-HNNXBMFYSA-N 1 0 318.417 3.454 50 0 DGAARO Cc1ccccc1Oc1ncccc1CNC1CC[NH+](C)CC1 ZINC000011664905 431478830 /nfs/dbraw/zinc/47/88/30/431478830.db2.gz SGNRUNVHIONRQP-UHFFFAOYSA-N 1 0 311.429 3.366 50 0 DGAARO CC(C)(C)OC(=O)[C@H](C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000012648215 431521799 /nfs/dbraw/zinc/52/17/99/431521799.db2.gz IIMCXALOJHOOLR-NSHDSACASA-N 1 0 303.324 3.165 50 0 DGAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000012704315 431522264 /nfs/dbraw/zinc/52/22/64/431522264.db2.gz MKNOOJFMMRTJJM-CYBMUJFWSA-N 1 0 303.402 3.151 50 0 DGAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CO)c(C)o2)cc1 ZINC000012703162 431523260 /nfs/dbraw/zinc/52/32/60/431523260.db2.gz MCXKSEJGUUHWNL-HNNXBMFYSA-N 1 0 316.401 3.005 50 0 DGAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1F ZINC000011822158 431484350 /nfs/dbraw/zinc/48/43/50/431484350.db2.gz TYZFXCTWJAJFRB-OAHLLOKOSA-N 1 0 303.356 3.436 50 0 DGAARO O=C(/C=C/c1ccco1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011818602 431485049 /nfs/dbraw/zinc/48/50/49/431485049.db2.gz HAJYYMDXHURPMK-DOJUMQAQSA-N 1 0 324.424 3.116 50 0 DGAARO CC(C)=CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012297634 431500111 /nfs/dbraw/zinc/50/01/11/431500111.db2.gz UYHQDBIZFNLWMJ-GOSISDBHSA-N 1 0 324.428 3.241 50 0 DGAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)NC1CC1 ZINC000012373281 431502892 /nfs/dbraw/zinc/50/28/92/431502892.db2.gz IYRQXCNRQXLHFH-CYBMUJFWSA-N 1 0 322.399 3.236 50 0 DGAARO N#CN[n+]1ccc2ccccc2c1C(=O)c1ccc(Cl)cc1 ZINC000012340536 431504193 /nfs/dbraw/zinc/50/41/93/431504193.db2.gz NUYSRCDNFFXKFB-UHFFFAOYSA-O 1 0 308.748 3.036 50 0 DGAARO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000012434232 431508968 /nfs/dbraw/zinc/50/89/68/431508968.db2.gz YKGSEAOBZDKCQY-HNNXBMFYSA-N 1 0 301.409 3.404 50 0 DGAARO Cc1nc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cs1 ZINC000012479222 431510756 /nfs/dbraw/zinc/51/07/56/431510756.db2.gz SMIPOEYPKZOVCQ-AWEZNQCLSA-N 1 0 321.490 3.369 50 0 DGAARO c1cnn(-c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)c1 ZINC000012523427 431513108 /nfs/dbraw/zinc/51/31/08/431513108.db2.gz PKQSDHHTBMYENT-UHFFFAOYSA-N 1 0 318.424 3.195 50 0 in-vivo DGAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000012927117 431538328 /nfs/dbraw/zinc/53/83/28/431538328.db2.gz CLQZEOMZYCWZEJ-LJQANCHMSA-N 1 0 324.424 3.149 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)CCc1ccccc1)c1ccsc1 ZINC000013011177 431544331 /nfs/dbraw/zinc/54/43/31/431544331.db2.gz FQXIVKDBRAIHPA-MRXNPFEDSA-N 1 0 302.443 3.100 50 0 DGAARO Cc1cccc(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000013011232 431544647 /nfs/dbraw/zinc/54/46/47/431544647.db2.gz LYIYHVKMCKZPHU-MRXNPFEDSA-N 1 0 302.443 3.018 50 0 DGAARO CC[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013745012 431569273 /nfs/dbraw/zinc/56/92/73/431569273.db2.gz NWADMXZQZFCXLF-UHFFFAOYSA-N 1 0 315.244 3.136 50 0 DGAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1 ZINC000013744974 431569962 /nfs/dbraw/zinc/56/99/62/431569962.db2.gz WEDPMLGAWIVAQW-ZDUSSCGKSA-N 1 0 324.852 3.016 50 0 DGAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000014085966 431576659 /nfs/dbraw/zinc/57/66/59/431576659.db2.gz LFHKZHXVDJWQKP-MRXNPFEDSA-N 1 0 324.380 3.191 50 0 DGAARO COCCC[C@H]1CCC[N@H+](Cc2[nH]nc3ccc(OC)cc32)C1 ZINC000077438362 431593121 /nfs/dbraw/zinc/59/31/21/431593121.db2.gz LPJFXHJAQSGAGS-CQSZACIVSA-N 1 0 317.433 3.210 50 0 DGAARO COCCC[C@@H]1CCC[N@H+](Cc2[nH]nc3ccc(OC)cc32)C1 ZINC000077438360 431593797 /nfs/dbraw/zinc/59/37/97/431593797.db2.gz LPJFXHJAQSGAGS-AWEZNQCLSA-N 1 0 317.433 3.210 50 0 DGAARO COc1ccccc1Oc1ncccc1C[NH2+]C1CCOCC1 ZINC000014981049 431597037 /nfs/dbraw/zinc/59/70/37/431597037.db2.gz RRIVUAIPPJQBBS-UHFFFAOYSA-N 1 0 314.385 3.151 50 0 DGAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1nc(C)n2ccccc12 ZINC000077469753 431597931 /nfs/dbraw/zinc/59/79/31/431597931.db2.gz RFQARCUIHYFWIQ-INIZCTEOSA-N 1 0 301.434 3.424 50 0 DGAARO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1cccs1 ZINC000014186156 431583251 /nfs/dbraw/zinc/58/32/51/431583251.db2.gz BXEHHBAUTBKSQE-LBPRGKRZSA-N 1 0 318.446 3.349 50 0 DGAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1cn2cc(C)ccc2n1 ZINC000077540622 431607859 /nfs/dbraw/zinc/60/78/59/431607859.db2.gz IBBYIAVCPPLXIF-KRWDZBQOSA-N 1 0 301.434 3.424 50 0 DGAARO COc1ccc(-c2noc(C[NH+]3CCCCCC3)n2)cc1OC ZINC000015255676 431607823 /nfs/dbraw/zinc/60/78/23/431607823.db2.gz LTXBSJUZPVEQDY-UHFFFAOYSA-N 1 0 317.389 3.130 50 0 DGAARO CCOC(=O)c1c(N)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019313075 431620529 /nfs/dbraw/zinc/62/05/29/431620529.db2.gz PFENFDGYVLAFBR-UHFFFAOYSA-N 1 0 316.426 3.065 50 0 aggregator,investigational DGAARO O[C@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000020218760 431622762 /nfs/dbraw/zinc/62/27/62/431622762.db2.gz RCZMDFYYEUDPLB-GOSISDBHSA-N 1 0 316.832 3.196 50 0 DGAARO CC(=O)c1ccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000023282777 431636875 /nfs/dbraw/zinc/63/68/75/431636875.db2.gz QWAJSGNBXMWONZ-UHFFFAOYSA-N 1 0 320.436 3.179 50 0 DGAARO Cc1ccc(/C=C/C(=O)NC[C@H](c2ccsc2)[NH+](C)C)o1 ZINC000025811104 431666223 /nfs/dbraw/zinc/66/62/23/431666223.db2.gz DNOWLTOYFXKNIS-LQYUOIDQSA-N 1 0 304.415 3.082 50 0 DGAARO COc1cccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c1 ZINC000078552817 431683040 /nfs/dbraw/zinc/68/30/40/431683040.db2.gz HGVDMFLUYYBPIR-UHFFFAOYSA-N 1 0 317.360 3.033 50 0 DGAARO COc1ccc(-c2nnc(C[N@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000027342643 431685528 /nfs/dbraw/zinc/68/55/28/431685528.db2.gz SBNAMIFTPSKMEZ-BETUJISGSA-N 1 0 301.390 3.223 50 0 DGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccco1 ZINC000027584253 431689419 /nfs/dbraw/zinc/68/94/19/431689419.db2.gz OFNNQFSREOOMEG-CYBMUJFWSA-N 1 0 304.415 3.298 50 0 DGAARO CC1(C)CC(NC(=O)CCCc2cccs2)CC(C)(C)[NH2+]1 ZINC000029787142 431730832 /nfs/dbraw/zinc/73/08/32/431730832.db2.gz ZNQPFPGMMBVYNH-UHFFFAOYSA-N 1 0 308.491 3.496 50 0 DGAARO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)o1 ZINC000030902309 431747801 /nfs/dbraw/zinc/74/78/01/431747801.db2.gz VBRKQIZXGWSQDF-CJNGLKHVSA-N 1 0 308.385 3.274 50 0 DGAARO Clc1ccccc1CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000121172870 431751924 /nfs/dbraw/zinc/75/19/24/431751924.db2.gz WYNANIGXZJPLSK-NXHRZFHOSA-N 1 0 320.864 3.214 50 0 DGAARO CC[C@H](CNC(=O)NC1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000031050190 431752697 /nfs/dbraw/zinc/75/26/97/431752697.db2.gz NOAQQSGYKOSLFL-GOSISDBHSA-N 1 0 315.461 3.065 50 0 DGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]c2ccccc12 ZINC000032819908 431792684 /nfs/dbraw/zinc/79/26/84/431792684.db2.gz SXKVENRONXMXSF-MRXNPFEDSA-N 1 0 319.408 3.172 50 0 DGAARO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000032911525 431799022 /nfs/dbraw/zinc/79/90/22/431799022.db2.gz JQECWGINXMGUTC-GOSISDBHSA-N 1 0 324.424 3.090 50 0 DGAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000032911516 431799247 /nfs/dbraw/zinc/79/92/47/431799247.db2.gz SVNMXUCAGGKOLK-INIZCTEOSA-N 1 0 312.388 3.220 50 0 DGAARO c1ccc2c(c1)OC[C@H](C[NH2+]Cc1cccc3cccnc31)O2 ZINC000032899494 431799817 /nfs/dbraw/zinc/79/98/17/431799817.db2.gz HIYOMLKCLCXLLB-INIZCTEOSA-N 1 0 306.365 3.164 50 0 DGAARO C[C@H](C(=O)Nc1c2c(cc3c1CCC3)CCC2)[NH+]1CCCCC1 ZINC000033889520 431817461 /nfs/dbraw/zinc/81/74/61/431817461.db2.gz JSSQOQZPYZSHFN-CQSZACIVSA-N 1 0 312.457 3.477 50 0 DGAARO Cc1ccccc1CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032399824 431776347 /nfs/dbraw/zinc/77/63/47/431776347.db2.gz VAXSFOGGHLLWSS-UHFFFAOYSA-N 1 0 322.452 3.102 50 0 DGAARO Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032398802 431776982 /nfs/dbraw/zinc/77/69/82/431776982.db2.gz FWFUYCTVRDQWRY-UHFFFAOYSA-N 1 0 308.425 3.173 50 0 DGAARO C[N@@H+]1CCN(C(=O)CCCc2ccccc2)C2(CCCC2)C1 ZINC000085472724 431839914 /nfs/dbraw/zinc/83/99/14/431839914.db2.gz DCUBXBKUXJSCRT-UHFFFAOYSA-N 1 0 300.446 3.096 50 0 DGAARO Cc1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)o1 ZINC000086258366 431844243 /nfs/dbraw/zinc/84/42/43/431844243.db2.gz ZOXNUSORCPLEIF-UHFFFAOYSA-N 1 0 314.429 3.404 50 0 DGAARO CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000037811724 431850268 /nfs/dbraw/zinc/85/02/68/431850268.db2.gz RATNHEGMJNMKBH-HNNXBMFYSA-N 1 0 300.427 3.356 50 0 DGAARO CC(C)c1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)no1 ZINC000123472142 431866058 /nfs/dbraw/zinc/86/60/58/431866058.db2.gz YKSKBNAPGMRGRY-UHFFFAOYSA-N 1 0 319.449 3.325 50 0 DGAARO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)cn1 ZINC000089616473 431872138 /nfs/dbraw/zinc/87/21/38/431872138.db2.gz DUDUJDYZJDFNNS-KGLIPLIRSA-N 1 0 300.406 3.142 50 0 DGAARO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000034871969 431821514 /nfs/dbraw/zinc/82/15/14/431821514.db2.gz CWHRBQXRGKDKLS-QGZVFWFLSA-N 1 0 312.438 3.126 50 0 DGAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2)o1 ZINC000036097513 431835275 /nfs/dbraw/zinc/83/52/75/431835275.db2.gz FONATRSYZSRQMI-QGZVFWFLSA-N 1 0 317.429 3.486 50 0 DGAARO Cc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2)C2CC2)c1 ZINC000036098793 431835634 /nfs/dbraw/zinc/83/56/34/431835634.db2.gz AKOKHRFGOXFFBM-LJQANCHMSA-N 1 0 311.425 3.399 50 0 DGAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)c1 ZINC000036100091 431835881 /nfs/dbraw/zinc/83/58/81/431835881.db2.gz RFRNXGGQRJVBPR-SFHVURJKSA-N 1 0 323.477 3.187 50 0 DGAARO COc1ccccc1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036102859 431836001 /nfs/dbraw/zinc/83/60/01/431836001.db2.gz ZCXBNTQXYZXMCC-MRXNPFEDSA-N 1 0 309.450 3.082 50 0 DGAARO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000095459137 431926183 /nfs/dbraw/zinc/92/61/83/431926183.db2.gz FSOYWSRXIMLBTH-SOUVJXGZSA-N 1 0 304.434 3.135 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3CC3)cc2)C1 ZINC000048300586 431921964 /nfs/dbraw/zinc/92/19/64/431921964.db2.gz AGMVVBKFPUEOMZ-GASCZTMLSA-N 1 0 300.446 3.191 50 0 DGAARO CCC[NH+]1CCC(CC(=O)N[C@@H](CC)c2ccc(O)cc2)CC1 ZINC000095364083 431922836 /nfs/dbraw/zinc/92/28/36/431922836.db2.gz NGIBVFQDPJVXMY-SFHVURJKSA-N 1 0 318.461 3.472 50 0 DGAARO Cc1cccc(CC2(NC(=O)CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000095367751 431923194 /nfs/dbraw/zinc/92/31/94/431923194.db2.gz OBKFVAWGEFMKSO-GOSISDBHSA-N 1 0 314.473 3.451 50 0 DGAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000095349197 431923514 /nfs/dbraw/zinc/92/35/14/431923514.db2.gz GCMFNTCLLHNYMD-JTQLQIEISA-N 1 0 302.205 3.161 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CC2)C1 ZINC000048344995 431923578 /nfs/dbraw/zinc/92/35/78/431923578.db2.gz ZHYQKOTZIHOVNG-GJZGRUSLSA-N 1 0 300.446 3.191 50 0 DGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cc4ccccc4o3)C2)N1CC1CC1 ZINC000095371913 431923762 /nfs/dbraw/zinc/92/37/62/431923762.db2.gz DMZSWVXCBBBRHI-DLBZAZTESA-N 1 0 324.424 3.266 50 0 DGAARO C[C@H](NC(=O)CCC[NH+]1CCCCC1)c1nc2ccccc2[nH]1 ZINC000095369887 431924009 /nfs/dbraw/zinc/92/40/09/431924009.db2.gz FIQKKEDMBIPGCD-AWEZNQCLSA-N 1 0 314.433 3.006 50 0 DGAARO CC[NH+]1CCC(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000095387679 431924391 /nfs/dbraw/zinc/92/43/91/431924391.db2.gz YKLOXORIKQORGF-KRWDZBQOSA-N 1 0 318.436 3.264 50 0 DGAARO CSCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095436581 431924661 /nfs/dbraw/zinc/92/46/61/431924661.db2.gz BIHHLAJTWWDWQH-CHWSQXEVSA-N 1 0 305.365 3.176 50 0 DGAARO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000048362804 431925001 /nfs/dbraw/zinc/92/50/01/431925001.db2.gz OBEJPHYYHFGCPT-UHFFFAOYSA-N 1 0 323.845 3.045 50 0 DGAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000089689233 431874357 /nfs/dbraw/zinc/87/43/57/431874357.db2.gz WUHWCCREJQRWKG-AEEMCCEDSA-N 1 0 324.468 3.041 50 0 DGAARO c1ccc(C[NH+]2CCC(Nc3nc4ccccc4o3)CC2)nc1 ZINC000044976574 431879870 /nfs/dbraw/zinc/87/98/70/431879870.db2.gz KXHBWLYOHZXVIE-UHFFFAOYSA-N 1 0 308.385 3.299 50 0 DGAARO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4sccc43)C2)cn1 ZINC000095423280 431925461 /nfs/dbraw/zinc/92/54/61/431925461.db2.gz NMZVOGFKFHVBHE-CZUORRHYSA-N 1 0 316.474 3.118 50 0 DGAARO CC(C)(C)c1nnc(NC[C@H](c2ccco2)[NH+]2CCCC2)o1 ZINC000095388820 431925475 /nfs/dbraw/zinc/92/54/75/431925475.db2.gz WFEGVEKACKFAPS-GFCCVEGCSA-N 1 0 304.394 3.209 50 0 DGAARO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000089885194 431883820 /nfs/dbraw/zinc/88/38/20/431883820.db2.gz NQTMTDXHHZDIMY-QGZVFWFLSA-N 1 0 320.452 3.482 50 0 DGAARO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000089895296 431884564 /nfs/dbraw/zinc/88/45/64/431884564.db2.gz ISZYECWOVMVINV-RISCZKNCSA-N 1 0 321.808 3.125 50 0 DGAARO C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000089913758 431885799 /nfs/dbraw/zinc/88/57/99/431885799.db2.gz DUXOSCJXOLUFPZ-CQSZACIVSA-N 1 0 314.433 3.250 50 0 DGAARO CC(=O)N1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@H](C)C1 ZINC000089937668 431886263 /nfs/dbraw/zinc/88/62/63/431886263.db2.gz VHVFHTLSFCAHDU-MLGOLLRUSA-N 1 0 302.443 3.248 50 0 DGAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC2)cc1 ZINC000045568003 431886877 /nfs/dbraw/zinc/88/68/77/431886877.db2.gz GJMGZQGLVUSGAW-UHFFFAOYSA-N 1 0 323.440 3.331 50 0 DGAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1 ZINC000089947888 431887420 /nfs/dbraw/zinc/88/74/20/431887420.db2.gz QGZDDWJPXQHTLE-JCGIZDLHSA-N 1 0 300.446 3.374 50 0 DGAARO C[C@H]1C[C@H]([NH2+]CCn2cnnc2C2CC2)c2ccsc2S1 ZINC000090033988 431889318 /nfs/dbraw/zinc/88/93/18/431889318.db2.gz NWXLNTFTKUEBNG-GWCFXTLKSA-N 1 0 320.487 3.432 50 0 DGAARO CC(C)(C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C(N)=O ZINC000095462748 431925971 /nfs/dbraw/zinc/92/59/71/431925971.db2.gz SWCGBFZQZGRHQE-LBPRGKRZSA-N 1 0 301.217 3.082 50 0 DGAARO c1cnn(-c2cccc(C[N@@H+]3CCCC4(CCOCC4)C3)c2)c1 ZINC000097636440 431972267 /nfs/dbraw/zinc/97/22/67/431972267.db2.gz NPXMVDPHVGMAQO-UHFFFAOYSA-N 1 0 311.429 3.265 50 0 DGAARO Cc1[nH]c2c(cccc2C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])c1C ZINC000097634927 431972440 /nfs/dbraw/zinc/97/24/40/431972440.db2.gz IKWMDJGZGPPBRF-ROUUACIJSA-N 1 0 319.408 3.139 50 0 DGAARO c1cc([C@H]2CCCO2)sc1C[NH+]1CCC(c2ncon2)CC1 ZINC000097602620 431972776 /nfs/dbraw/zinc/97/27/76/431972776.db2.gz SOZFLVRNSLDRRI-CQSZACIVSA-N 1 0 319.430 3.362 50 0 DGAARO C[NH+]1CCN(Cc2ccc(-c3cccc(Cl)c3)nc2)CC1 ZINC000097766188 431974382 /nfs/dbraw/zinc/97/43/82/431974382.db2.gz SOCWNXVROAEODI-UHFFFAOYSA-N 1 0 301.821 3.149 50 0 DGAARO Cc1nc2ccccc2nc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000097759394 431974398 /nfs/dbraw/zinc/97/43/98/431974398.db2.gz IXLNLFDIZTZBBK-UHFFFAOYSA-N 1 0 307.401 3.041 50 0 DGAARO c1cc2n(c1)-c1ccccc1C[NH2+][C@@H]2c1ccc2c(c1)OCO2 ZINC000055028057 431974760 /nfs/dbraw/zinc/97/47/60/431974760.db2.gz MRWBRCPVLMGQSD-LJQANCHMSA-N 1 0 304.349 3.399 50 0 DGAARO C[N@H+](CCc1ccc(F)cc1)CC(=O)N1CCCCCCC1 ZINC000055023470 431975435 /nfs/dbraw/zinc/97/54/35/431975435.db2.gz UZRIHTYGUVKWTD-UHFFFAOYSA-N 1 0 306.425 3.093 50 0 DGAARO C/C(=C/c1ccccc1)CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000098059424 431976659 /nfs/dbraw/zinc/97/66/59/431976659.db2.gz FCLMJEAISBFAFF-VKAVYKQESA-N 1 0 322.456 3.349 50 0 DGAARO CCOc1cccc(C[N@@H+](C/C=C/c2ccco2)CCO)c1 ZINC000055153388 431976928 /nfs/dbraw/zinc/97/69/28/431976928.db2.gz MXKBYKQGFISETD-XBXARRHUSA-N 1 0 301.386 3.186 50 0 DGAARO CCc1oc(C(=O)N2CC=C[C@@H]2CC)cc1C[NH+]1CCCC1 ZINC000055182838 431977424 /nfs/dbraw/zinc/97/74/24/431977424.db2.gz VQDXFQSAYAMQGV-HNNXBMFYSA-N 1 0 302.418 3.228 50 0 DGAARO Cc1cc(C)n(CCC[N@@H+](C)[C@H](C)Cc2cc(C)ccn2)n1 ZINC000055244219 431977957 /nfs/dbraw/zinc/97/79/57/431977957.db2.gz PLRCZPYBWLQHGD-MRXNPFEDSA-N 1 0 300.450 3.156 50 0 DGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2occc2C)s1 ZINC000055227518 431978750 /nfs/dbraw/zinc/97/87/50/431978750.db2.gz KBLGTTDPXGJFKZ-UHFFFAOYSA-N 1 0 306.431 3.162 50 0 DGAARO COCC[N@H+](C/C=C/c1ccccc1)Cc1ccc2nonc2c1 ZINC000055255659 431979609 /nfs/dbraw/zinc/97/96/09/431979609.db2.gz DVOXKKHJBPWCNN-VMPITWQZSA-N 1 0 323.396 3.385 50 0 DGAARO C[C@H]1CN(CCC[NH2+]Cc2csc3ccccc23)C[C@H](C)O1 ZINC000095947338 431926900 /nfs/dbraw/zinc/92/69/00/431926900.db2.gz JBEVQWYLGBCOOJ-GJZGRUSLSA-N 1 0 318.486 3.490 50 0 DGAARO O=C(NC(C1CC1)C1CC1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000095953306 431927834 /nfs/dbraw/zinc/92/78/34/431927834.db2.gz RDJIXYHGQUMPRQ-KRWDZBQOSA-N 1 0 319.493 3.225 50 0 DGAARO CC(C)[N@@H+](Cc1cc(F)cc(Br)c1)C[C@H](C)O ZINC000095963692 431928738 /nfs/dbraw/zinc/92/87/38/431928738.db2.gz WHBDYJJNRMMESL-JTQLQIEISA-N 1 0 304.203 3.179 50 0 DGAARO CCn1cnnc1C[NH2+][C@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000095967315 431928838 /nfs/dbraw/zinc/92/88/38/431928838.db2.gz LTVMUKGKBRWXSA-ZZFFKQLHSA-N 1 0 302.466 3.383 50 0 DGAARO CCOc1cccc(C[NH2+][C@H]2CCSC2)c1OC(F)F ZINC000095969251 431930017 /nfs/dbraw/zinc/93/00/17/431930017.db2.gz NXNCTSQRYMSQCV-NSHDSACASA-N 1 0 303.374 3.282 50 0 DGAARO Cc1cc(O)ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095976461 431930518 /nfs/dbraw/zinc/93/05/18/431930518.db2.gz JUFDTJDHCWRHMO-KRWDZBQOSA-N 1 0 324.424 3.095 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(OCc2nccn2C)cc1)c1cccnc1 ZINC000048683234 431930747 /nfs/dbraw/zinc/93/07/47/431930747.db2.gz INLACHUSXPCIKR-HNNXBMFYSA-N 1 0 322.412 3.245 50 0 DGAARO CCS[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000095990132 431932469 /nfs/dbraw/zinc/93/24/69/431932469.db2.gz RQWMXCXPHCRTDA-CABCVRRESA-N 1 0 302.447 3.236 50 0 DGAARO C[C@H](C[NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000095988834 431932615 /nfs/dbraw/zinc/93/26/15/431932615.db2.gz KSBDOLFAWSOPJI-CYBMUJFWSA-N 1 0 302.397 3.037 50 0 DGAARO Cc1ncsc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000095988580 431932654 /nfs/dbraw/zinc/93/26/54/431932654.db2.gz FZHJYTKKDWGFRJ-UKRRQHHQSA-N 1 0 310.369 3.350 50 0 DGAARO CCOC(=O)c1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)o1 ZINC000095988476 431932768 /nfs/dbraw/zinc/93/27/68/431932768.db2.gz SNGCPVVUQFOZHB-AWEZNQCLSA-N 1 0 321.417 3.428 50 0 DGAARO c1cc2cnccc2c(C[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000125944607 431938619 /nfs/dbraw/zinc/93/86/19/431938619.db2.gz UYLXOELCYKKWQM-KRWDZBQOSA-N 1 0 312.413 3.400 50 0 DGAARO Nc1cc[nH+]c2ccc(-c3cccc(CN4CCOCC4)c3)cc12 ZINC000096164431 431940794 /nfs/dbraw/zinc/94/07/94/431940794.db2.gz XQGVKKWIVUJOMQ-UHFFFAOYSA-N 1 0 319.408 3.316 50 0 DGAARO C/C(=C\C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000096258894 431943606 /nfs/dbraw/zinc/94/36/06/431943606.db2.gz CEYAGWGIGAJQST-IYICPGQYSA-N 1 0 312.457 3.024 50 0 DGAARO C/C(=C\C(=O)N(C)C1CC[NH+](C)CC1)CCc1ccccc1 ZINC000096257562 431943725 /nfs/dbraw/zinc/94/37/25/431943725.db2.gz YECYBXXSAYNPKK-FOCLMDBBSA-N 1 0 300.446 3.118 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(F)c2)CC1 ZINC000049796146 431943756 /nfs/dbraw/zinc/94/37/56/431943756.db2.gz FUPOLYWWNHLQSC-AWEZNQCLSA-N 1 0 321.440 3.306 50 0 DGAARO FC(F)(F)Oc1cccc(C[NH2+]CCc2nccs2)c1 ZINC000096403759 431945254 /nfs/dbraw/zinc/94/52/54/431945254.db2.gz OAQHUJUHWQETIC-UHFFFAOYSA-N 1 0 302.321 3.374 50 0 DGAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@H](C)c2ccccc2F)no1 ZINC000051407358 431952132 /nfs/dbraw/zinc/95/21/32/431952132.db2.gz OKNKFZMFXGHLHP-GFCCVEGCSA-N 1 0 305.353 3.144 50 0 DGAARO Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)on1 ZINC000096468610 431952265 /nfs/dbraw/zinc/95/22/65/431952265.db2.gz CEOWBGUVUFOUGF-HOCLYGCPSA-N 1 0 304.390 3.444 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(N2CCCCCC2)c1)C1CCOCC1 ZINC000096477327 431953038 /nfs/dbraw/zinc/95/30/38/431953038.db2.gz FUFDKCMXOVNZQO-INIZCTEOSA-N 1 0 317.477 3.367 50 0 DGAARO Cc1cc(C)n(C[C@@H](C)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)n1 ZINC000096476625 431953335 /nfs/dbraw/zinc/95/33/35/431953335.db2.gz RWMXGOZQJTUSCI-BBRMVZONSA-N 1 0 303.454 3.264 50 0 DGAARO Cn1c(Cc2cccs2)nnc1SCC[C@@H]1CCC[N@@H+]1C ZINC000096485289 431953846 /nfs/dbraw/zinc/95/38/46/431953846.db2.gz XHOBQOFRNRUNEE-LBPRGKRZSA-N 1 0 322.503 3.044 50 0 DGAARO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000096499646 431954349 /nfs/dbraw/zinc/95/43/49/431954349.db2.gz OVWNRSAXHPOXHO-LDYMZIIASA-N 1 0 307.385 3.218 50 0 DGAARO CN(Cc1cccn1C)Cc1c(C2CC2)nc2sccn12 ZINC000097033964 431955994 /nfs/dbraw/zinc/95/59/94/431955994.db2.gz SCXMHDODOSBSOZ-UHFFFAOYSA-N 1 0 300.431 3.244 50 0 DGAARO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1cccc2ccccc21 ZINC000052500111 431956189 /nfs/dbraw/zinc/95/61/89/431956189.db2.gz WFSBDTFFBUWMBH-ZBFHGGJFSA-N 1 0 311.429 3.294 50 0 DGAARO Cc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000097032974 431956280 /nfs/dbraw/zinc/95/62/80/431956280.db2.gz YGZDUDPEWDTDPX-ZDUSSCGKSA-N 1 0 315.392 3.396 50 0 DGAARO Cc1noc(C)c1[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000097036971 431956780 /nfs/dbraw/zinc/95/67/80/431956780.db2.gz RGKCLBQFWXVLHT-JTQLQIEISA-N 1 0 306.435 3.068 50 0 DGAARO OC[C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)Cc1ccccn1 ZINC000097034627 431957152 /nfs/dbraw/zinc/95/71/52/431957152.db2.gz YOWIOKXKKQZEEK-LIRRHRJNSA-N 1 0 314.404 3.039 50 0 DGAARO O[C@@]1(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CCSC1 ZINC000097054833 431958475 /nfs/dbraw/zinc/95/84/75/431958475.db2.gz MCDVZWLGTCLHQU-MRXNPFEDSA-N 1 0 305.399 3.030 50 0 DGAARO COc1ccc([C@H](C)[NH2+]Cc2cnccc2N(C)C)cc1F ZINC000097049524 431958864 /nfs/dbraw/zinc/95/88/64/431958864.db2.gz KCSZFLRNUYXPSY-LBPRGKRZSA-N 1 0 303.381 3.146 50 0 DGAARO Fc1ccccc1COC1CC[NH+](Cc2cncs2)CC1 ZINC000097051435 431959022 /nfs/dbraw/zinc/95/90/22/431959022.db2.gz ZHZSEBVKZXLPGS-UHFFFAOYSA-N 1 0 306.406 3.463 50 0 DGAARO Cn1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(C2CCCCC2)n1 ZINC000097086497 431959921 /nfs/dbraw/zinc/95/99/21/431959921.db2.gz GIWHBRZMQNUZRH-OAHLLOKOSA-N 1 0 316.493 3.042 50 0 DGAARO C[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C(=O)N1CCCCC1 ZINC000097084826 431960178 /nfs/dbraw/zinc/96/01/78/431960178.db2.gz XYWDFAQFVUMUJR-KTAKPFMOSA-N 1 0 304.409 3.062 50 0 DGAARO C[N@H+](CC1(C)CCOCC1)C1CCN(Cc2ccccc2)CC1 ZINC000097113457 431961594 /nfs/dbraw/zinc/96/15/94/431961594.db2.gz FMTCUGIYCCLTHT-UHFFFAOYSA-N 1 0 316.489 3.400 50 0 DGAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)on1 ZINC000097111480 431961658 /nfs/dbraw/zinc/96/16/58/431961658.db2.gz GJWARTSQRLJHDZ-IUCAKERBSA-N 1 0 313.810 3.376 50 0 DGAARO CSc1ccccc1NC(=O)C[N@H+](C)CC1(C)CCOCC1 ZINC000097113422 431961833 /nfs/dbraw/zinc/96/18/33/431961833.db2.gz GYBNHSCVVQZVJW-UHFFFAOYSA-N 1 0 322.474 3.096 50 0 DGAARO C[N@H+](Cc1ccncc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000097113739 431961840 /nfs/dbraw/zinc/96/18/40/431961840.db2.gz YJFILRDHIRRQTB-UHFFFAOYSA-N 1 0 306.369 3.296 50 0 DGAARO Cc1ccc([C@@H](C)[N@H+](C)Cc2cc(=O)n3ccsc3n2)s1 ZINC000053213082 431962103 /nfs/dbraw/zinc/96/21/03/431962103.db2.gz IIMSKKDHVGHNKX-LLVKDONJSA-N 1 0 319.455 3.319 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000097159159 431963148 /nfs/dbraw/zinc/96/31/48/431963148.db2.gz VUPAKQGXARNPFV-HNNXBMFYSA-N 1 0 316.449 3.227 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000097159581 431963336 /nfs/dbraw/zinc/96/33/36/431963336.db2.gz YFXJWUMMZAAFIC-AWEZNQCLSA-N 1 0 307.825 3.184 50 0 DGAARO CC(C)n1cncc1C[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000097179502 431964010 /nfs/dbraw/zinc/96/40/10/431964010.db2.gz LZDQAINMTVWBKP-KRWDZBQOSA-N 1 0 312.461 3.422 50 0 DGAARO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000097229639 431965192 /nfs/dbraw/zinc/96/51/92/431965192.db2.gz CERGTWYZWREERT-VIFPVBQESA-N 1 0 318.730 3.129 50 0 DGAARO Cc1nn(C)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000097235487 431966463 /nfs/dbraw/zinc/96/64/63/431966463.db2.gz PGRAFBRUBUZFHO-UHFFFAOYSA-N 1 0 317.408 3.049 50 0 DGAARO CCCOc1cc(C[NH2+][C@@H](C)CN2CCCCC2)ccc1OC ZINC000097287743 431966512 /nfs/dbraw/zinc/96/65/12/431966512.db2.gz JWSLBCVZPRAFDB-INIZCTEOSA-N 1 0 320.477 3.448 50 0 DGAARO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)NC3CC3)c(C)c2c1 ZINC000097374480 431967615 /nfs/dbraw/zinc/96/76/15/431967615.db2.gz QUEWSFOEFWUZBN-NWDGAFQWSA-N 1 0 316.401 3.068 50 0 DGAARO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000071837186 281058844 /nfs/dbraw/zinc/05/88/44/281058844.db2.gz CBCRSMHAEMWHLO-SFHVURJKSA-N 1 0 308.429 3.162 50 0 DGAARO Cc1ccc([C@@H]2NC(=S)N=C3C2CCC[C@H]3C[NH+](C)C)cc1 ZINC000101375253 431983991 /nfs/dbraw/zinc/98/39/91/431983991.db2.gz NRERSBYAYDKVRY-HOCLYGCPSA-N 1 0 315.486 3.130 50 0 DGAARO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCc2ccccc21 ZINC000057421372 431992117 /nfs/dbraw/zinc/99/21/17/431992117.db2.gz XULYQYLHFKCNJN-GJZGRUSLSA-N 1 0 324.424 3.324 50 0 DGAARO O=C(Nc1cccc(CO)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000270594881 432261395 /nfs/dbraw/zinc/26/13/95/432261395.db2.gz BWXPRUCWYSZXDN-GOSISDBHSA-N 1 0 324.424 3.030 50 0 DGAARO Cc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)ccc1-n1cncn1 ZINC000183716331 432319497 /nfs/dbraw/zinc/31/94/97/432319497.db2.gz FANOFRMLUAATIO-OAHLLOKOSA-N 1 0 307.401 3.164 50 0 DGAARO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)n1 ZINC000248983778 432332208 /nfs/dbraw/zinc/33/22/08/432332208.db2.gz DQROBIMQYHWRHP-ROUUACIJSA-N 1 0 324.428 3.265 50 0 DGAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461547 432348957 /nfs/dbraw/zinc/34/89/57/432348957.db2.gz FOVIPNKDCMSRFL-DZGCQCFKSA-N 1 0 308.853 3.244 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000249694292 432353524 /nfs/dbraw/zinc/35/35/24/432353524.db2.gz OVCDJAXNPCIUEO-QZTJIDSGSA-N 1 0 311.429 3.257 50 0 DGAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccccc1 ZINC000249681533 432353833 /nfs/dbraw/zinc/35/38/33/432353833.db2.gz BMAZRRBWTXBIHK-ZWKOTPCHSA-N 1 0 300.446 3.095 50 0 DGAARO CCc1noc(CC)c1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192444493 432374844 /nfs/dbraw/zinc/37/48/44/432374844.db2.gz LQDFKLFHXXLOJB-CQSZACIVSA-N 1 0 314.429 3.455 50 0 DGAARO CN(C/C=C/c1ccccc1)Cc1nc(-c2ccncc2)no1 ZINC000252482776 432377759 /nfs/dbraw/zinc/37/77/59/432377759.db2.gz DNNQEWCHUWWXJC-VMPITWQZSA-N 1 0 306.369 3.277 50 0 DGAARO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000252479314 432377833 /nfs/dbraw/zinc/37/78/33/432377833.db2.gz BCWGZBBVCBAQQM-QGZVFWFLSA-N 1 0 306.425 3.439 50 0 DGAARO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000252483721 432378066 /nfs/dbraw/zinc/37/80/66/432378066.db2.gz FHIFAZOCVDOIQV-CYBMUJFWSA-N 1 0 313.401 3.117 50 0 DGAARO C[NH2+]Cc1cc(CC[C@H]2COc3ccccc3O2)ccc1OC ZINC000252478857 432378104 /nfs/dbraw/zinc/37/81/04/432378104.db2.gz AWIMAVHWXFOMJT-INIZCTEOSA-N 1 0 313.397 3.187 50 0 DGAARO CCc1nc(C)sc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000252483614 432378346 /nfs/dbraw/zinc/37/83/46/432378346.db2.gz FFYRMEPVQGCSGH-UHFFFAOYSA-N 1 0 307.507 3.464 50 0 DGAARO Cc1cc([C@@H](C)[NH2+]CCc2ccc(S(C)(=O)=O)cc2)oc1C ZINC000252498881 432379270 /nfs/dbraw/zinc/37/92/70/432379270.db2.gz ROVADQFTIUSRNB-CYBMUJFWSA-N 1 0 321.442 3.193 50 0 DGAARO Cc1cc([C@H](C)[NH2+]CCc2ccc(S(C)(=O)=O)cc2)oc1C ZINC000252498882 432379649 /nfs/dbraw/zinc/37/96/49/432379649.db2.gz ROVADQFTIUSRNB-ZDUSSCGKSA-N 1 0 321.442 3.193 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CN(CCCO)Cc1ccc(Cl)cc1 ZINC000252489280 432380462 /nfs/dbraw/zinc/38/04/62/432380462.db2.gz JNLRDGPDKPWNKX-QGZVFWFLSA-N 1 0 310.869 3.009 50 0 DGAARO c1coc(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000252508790 432381556 /nfs/dbraw/zinc/38/15/56/432381556.db2.gz XTJRHRBIIBHDOZ-OAHLLOKOSA-N 1 0 304.415 3.058 50 0 DGAARO O=C(Nc1cccc(-n2cccc2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000252523190 432383423 /nfs/dbraw/zinc/38/34/23/432383423.db2.gz CAHRMDASPHBSEX-GOSISDBHSA-N 1 0 324.428 3.179 50 0 DGAARO C/C(=C/C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000252513313 432383640 /nfs/dbraw/zinc/38/36/40/432383640.db2.gz YDYQGEWZOQCXAA-ZDZFUCEFSA-N 1 0 318.848 3.486 50 0 DGAARO C[C@@H]1CN(Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)CCO1 ZINC000153464475 432411670 /nfs/dbraw/zinc/41/16/70/432411670.db2.gz MDJFMCXOBMNFLJ-OAHLLOKOSA-N 1 0 314.473 3.186 50 0 DGAARO C[C@](O)(C[NH2+]Cc1sccc1Br)c1ccco1 ZINC000185039051 432458630 /nfs/dbraw/zinc/45/86/30/432458630.db2.gz UUZPHTMHHUGDBK-LBPRGKRZSA-N 1 0 316.220 3.101 50 0 DGAARO COc1cc(C[NH+]2CCC3(CC[C@@H]3O)CC2)ccc1OC(C)C ZINC000257187527 432416183 /nfs/dbraw/zinc/41/61/83/432416183.db2.gz LULQFASMPCQDHT-SFHVURJKSA-N 1 0 319.445 3.219 50 0 DGAARO c1sc(CN2CCO[C@@H]3CCCC[C@H]32)cc1C[NH+]1CCCC1 ZINC000215960923 432647613 /nfs/dbraw/zinc/64/76/13/432647613.db2.gz ISUQJIPUHISPCH-QZTJIDSGSA-N 1 0 320.502 3.487 50 0 DGAARO CN(Cc1cccc(O)c1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000215328946 432643351 /nfs/dbraw/zinc/64/33/51/432643351.db2.gz YNMUKDKMGBAHEK-GOSISDBHSA-N 1 0 324.424 3.131 50 0 DGAARO COc1ccc(OCC2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC000215239952 432643380 /nfs/dbraw/zinc/64/33/80/432643380.db2.gz WTOBAIHWQWDXHS-UHFFFAOYSA-N 1 0 316.401 3.283 50 0 DGAARO C[NH+](C)C1(CNC(=O)C[C@@H]2CCc3ccccc32)CCCC1 ZINC000215788749 432644185 /nfs/dbraw/zinc/64/41/85/432644185.db2.gz DGEJAIRJSQVEPU-INIZCTEOSA-N 1 0 300.446 3.097 50 0 DGAARO CCc1nccc(CN(C)Cc2ccccc2C[NH+]2CCCC2)n1 ZINC000215894606 432644702 /nfs/dbraw/zinc/64/47/02/432644702.db2.gz DAPVRYWSGLSULR-UHFFFAOYSA-N 1 0 324.472 3.267 50 0 DGAARO CCc1nccc(C[N@H+](C)Cc2ccc(OC)c3ncccc23)n1 ZINC000215580346 432645479 /nfs/dbraw/zinc/64/54/79/432645479.db2.gz ZWHJTFHIOWHHJI-UHFFFAOYSA-N 1 0 322.412 3.228 50 0 DGAARO Cc1cc(CN(C)Cc2cnc(-c3cccc(C)c3)nc2)on1 ZINC000216128193 432646311 /nfs/dbraw/zinc/64/63/11/432646311.db2.gz HCZPXRYXQPONQV-UHFFFAOYSA-N 1 0 308.385 3.380 50 0 DGAARO Cc1cc(-n2cccn2)ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000216404098 432648721 /nfs/dbraw/zinc/64/87/21/432648721.db2.gz SAANYNPSJDDTAH-UHFFFAOYSA-N 1 0 321.428 3.283 50 0 DGAARO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C[NH3+])cc1 ZINC000299747298 288390157 /nfs/dbraw/zinc/39/01/57/288390157.db2.gz CNBZQDNVPYHEJU-ZRGWGRIASA-N 1 0 324.424 3.136 50 0 DGAARO Cc1nccn1CC[C@H](NC(=O)c1cnoc1C)c1ccccc1 ZINC000220266785 432666178 /nfs/dbraw/zinc/66/61/78/432666178.db2.gz WCOQWOAGBCQTNM-KRWDZBQOSA-N 1 0 324.384 3.049 50 0 DGAARO C[NH+](C)[C@H]1CCCN(C(=O)CCSCc2ccccc2)CC1 ZINC000221359539 432668180 /nfs/dbraw/zinc/66/81/80/432668180.db2.gz ILYJYPXYWYJFJZ-KRWDZBQOSA-N 1 0 320.502 3.253 50 0 DGAARO CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000225483277 432692384 /nfs/dbraw/zinc/69/23/84/432692384.db2.gz QRGUZWSRBHAAQW-QZTJIDSGSA-N 1 0 314.473 3.294 50 0 DGAARO C[C@H](CNC(=O)/C=C/c1ccc(F)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227156291 432709471 /nfs/dbraw/zinc/70/94/71/432709471.db2.gz JUTMWBMACCDNPX-HXLJHPCKSA-N 1 0 318.436 3.322 50 0 DGAARO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229509009 432722051 /nfs/dbraw/zinc/72/20/51/432722051.db2.gz LHYWQDZDKOKJEQ-LSDHHAIUSA-N 1 0 319.836 3.252 50 0 DGAARO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000229720234 432722775 /nfs/dbraw/zinc/72/27/75/432722775.db2.gz QEIZAORKJXJENY-RTBURBONSA-N 1 0 311.425 3.224 50 0 DGAARO COc1ccccc1/C=C\C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000229720041 432723059 /nfs/dbraw/zinc/72/30/59/432723059.db2.gz OUTHWWNIOKLDRR-SNGWPZLWSA-N 1 0 303.402 3.126 50 0 DGAARO Fc1ccc(/C=C\C[NH+]2CCC(OC3CCOCC3)CC2)cc1 ZINC000222079474 432670491 /nfs/dbraw/zinc/67/04/91/432670491.db2.gz DQNBHUUCCLUHFU-UPHRSURJSA-N 1 0 319.420 3.499 50 0 DGAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)ccc1Cl ZINC000223243054 432675684 /nfs/dbraw/zinc/67/56/84/432675684.db2.gz NWKVRTYTQGHAQU-GFCCVEGCSA-N 1 0 324.827 3.473 50 0 DGAARO COc1cc(Cl)ccc1C(=O)NCCC12CCC[NH+]1CCC2 ZINC000223672813 432677657 /nfs/dbraw/zinc/67/76/57/432677657.db2.gz 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CCn1ncnc1C[NH2+]CC[C@@H](c1ccco1)c1ccccc1 ZINC000952974551 662209464 /nfs/dbraw/zinc/20/94/64/662209464.db2.gz IXSTWAAXVTYYSJ-MRXNPFEDSA-N 1 0 310.401 3.203 50 0 DGAARO Cc1cccc(N2CC[NH+](C3CSCCSC3)CC2)c1C ZINC000952980908 662209993 /nfs/dbraw/zinc/20/99/93/662209993.db2.gz MUWFFHYBCKHZDO-UHFFFAOYSA-N 1 0 322.543 3.274 50 0 DGAARO CCc1ccc(C[NH2+]CCOc2cccc3cccnc32)nc1 ZINC000952983023 662210129 /nfs/dbraw/zinc/21/01/29/662210129.db2.gz REPVZQHVJIFGJN-UHFFFAOYSA-N 1 0 307.397 3.361 50 0 DGAARO Cc1ccc2cc(C[N@@H+](C)Cc3cnn(C(C)C)c3)c(=O)[nH]c2c1 ZINC000067956103 685057955 /nfs/dbraw/zinc/05/79/55/685057955.db2.gz WGIYGBMQERGOIO-UHFFFAOYSA-N 1 0 324.428 3.246 50 0 DGAARO Cc1cc(F)ccc1N1CCC([NH2+]CCc2nccs2)CC1 ZINC001506405273 1186223063 /nfs/dbraw/zinc/22/30/63/1186223063.db2.gz AJYMYWHKTIKXJH-UHFFFAOYSA-N 1 0 319.449 3.392 50 0 DGAARO c1c(CN2CCC[N@@H+]3CCC[C@H]3C2)onc1C1CCCCC1 ZINC001506410849 1186224077 /nfs/dbraw/zinc/22/40/77/1186224077.db2.gz YBJZXANMLVXFMK-INIZCTEOSA-N 1 0 303.450 3.392 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CC(C)[NH+]1CCC(N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000821746024 1091648925 /nfs/dbraw/zinc/64/89/25/1091648925.db2.gz JMOZQXSXEXKEDU-LJQANCHMSA-N 1 0 312.461 3.087 50 0 DGAARO Fc1ccc(N2CC[C@@H]([N@@H+]3CCCC4(CCOCC4)C3)C2)cc1 ZINC000826588654 1091755194 /nfs/dbraw/zinc/75/51/94/1091755194.db2.gz DKYFZIASVFTZLS-GOSISDBHSA-N 1 0 318.436 3.297 50 0 DGAARO C[C@H](CNC(=O)NCCCC[NH3+])Cc1cccc2ccccc21 ZINC000827360792 1091768739 /nfs/dbraw/zinc/76/87/39/1091768739.db2.gz NMAHAQLFRQSJLM-HNNXBMFYSA-N 1 0 313.445 3.057 50 0 DGAARO O=C(Cc1ccccc1F)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581787900 1092270461 /nfs/dbraw/zinc/27/04/61/1092270461.db2.gz HSEJDFJFMZHKNV-MRXNPFEDSA-N 1 0 318.436 3.093 50 0 DGAARO CC(C)CNC(=O)N1CCCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000581787975 1092270688 /nfs/dbraw/zinc/27/06/88/1092270688.db2.gz MQQJEQVTBHPEEC-KRWDZBQOSA-N 1 0 309.498 3.329 50 0 DGAARO O=C(c1cc(F)ccc1F)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581788108 1092272576 /nfs/dbraw/zinc/27/25/76/1092272576.db2.gz SWKRHOXLCJTRBD-AWEZNQCLSA-N 1 0 322.399 3.303 50 0 DGAARO Cc1cnc(C2CC2)n1C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000581806955 1092281160 /nfs/dbraw/zinc/28/11/60/1092281160.db2.gz FIZSXXJPZSMHSK-MRXNPFEDSA-N 1 0 310.445 3.376 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2ccc(C)nc2)C1 ZINC000581806366 1092281640 /nfs/dbraw/zinc/28/16/40/1092281640.db2.gz QBVRBWABOMRNSN-KRWDZBQOSA-N 1 0 324.428 3.250 50 0 DGAARO CN(C)c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000237096833 1092798208 /nfs/dbraw/zinc/79/82/08/1092798208.db2.gz ORWXIJAKYNPRDC-OAHLLOKOSA-N 1 0 317.820 3.435 50 0 DGAARO COCC[C@H](C)[NH2+]Cc1cc(Br)cnc1Cl ZINC000585089180 1094992690 /nfs/dbraw/zinc/99/26/90/1094992690.db2.gz ZYEKCQXJUNJOPU-QMMMGPOBSA-N 1 0 307.619 3.012 50 0 DGAARO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCCC(=O)N(C)C ZINC000585094489 1094998026 /nfs/dbraw/zinc/99/80/26/1094998026.db2.gz QEAWESAPLVZRDG-NSHDSACASA-N 1 0 322.840 3.078 50 0 DGAARO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)C12CC[NH+](CC1)C2 ZINC000585121191 1095015432 /nfs/dbraw/zinc/01/54/32/1095015432.db2.gz IEPKMXIYBMSXID-GOSISDBHSA-N 1 0 324.399 3.127 50 0 DGAARO C[C@@H](COc1ccccc1)[N@@H+]1CCC[C@H](C(=O)c2cccnc2)C1 ZINC000042976658 1095989934 /nfs/dbraw/zinc/98/99/34/1095989934.db2.gz ONNIKRXCZCFDIY-WMZOPIPTSA-N 1 0 324.424 3.444 50 0 DGAARO O=c1cc(C2CC2)ncn1CC1CC[NH+](CC2CCCC2)CC1 ZINC000585630851 1096489864 /nfs/dbraw/zinc/48/98/64/1096489864.db2.gz XPKSTALLNPMFFZ-UHFFFAOYSA-N 1 0 315.461 3.023 50 0 DGAARO CC(C)(C[NH2+][C@H](c1ccco1)c1ccccc1)N1CCOCC1 ZINC000192910662 1096526175 /nfs/dbraw/zinc/52/61/75/1096526175.db2.gz QVGSWCOGXMWZFR-SFHVURJKSA-N 1 0 314.429 3.069 50 0 DGAARO C[N@H+](C[C@H]1CCN(c2ccccc2)C1)CC1(C)CCOCC1 ZINC000952868516 1096782227 /nfs/dbraw/zinc/78/22/27/1096782227.db2.gz ANKAIQAHRGHUHG-QGZVFWFLSA-N 1 0 302.462 3.261 50 0 DGAARO Cc1ccc2cccc(NC(=O)NCC[C@H]3CCC[N@H+]3C)c2n1 ZINC000095503039 185375024 /nfs/dbraw/zinc/37/50/24/185375024.db2.gz DWOOLXOQHNBWNA-OAHLLOKOSA-N 1 0 312.417 3.149 50 0 DGAARO c1ccc(-c2noc(N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)n2)cc1 ZINC000095502600 185375142 /nfs/dbraw/zinc/37/51/42/185375142.db2.gz XCYJXHRWXNIKDD-NVXWUHKLSA-N 1 0 324.428 3.047 50 0 DGAARO [NH3+]CCCNC(=O)C[C@H](c1ccccc1)c1ccccc1Cl ZINC000095529082 185378548 /nfs/dbraw/zinc/37/85/48/185378548.db2.gz XFHKUIUDWIITDG-MRXNPFEDSA-N 1 0 316.832 3.327 50 0 DGAARO CCCc1nc(C)c(CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000095529790 185378832 /nfs/dbraw/zinc/37/88/32/185378832.db2.gz HHNKNIHPKBDSAG-AWEZNQCLSA-N 1 0 323.506 3.141 50 0 DGAARO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC12CC2 ZINC000095698970 185383172 /nfs/dbraw/zinc/38/31/72/185383172.db2.gz UCBLMUMETZZNIZ-HNNXBMFYSA-N 1 0 302.418 3.176 50 0 DGAARO C[NH+](C)C[C@@H]1CSCC[C@@]1(O)c1cccc(C(F)(F)F)c1 ZINC000001000511 282128840 /nfs/dbraw/zinc/12/88/40/282128840.db2.gz UFYNYMSMDPKIPS-ZIAGYGMSSA-N 1 0 319.392 3.208 50 0 DGAARO c1ccc2[nH]c([C@H]3CCC[N@@H+](CCc4ccncc4)C3)nc2c1 ZINC000078922735 185129166 /nfs/dbraw/zinc/12/91/66/185129166.db2.gz 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/nfs/dbraw/zinc/00/59/92/432005992.db2.gz ANVQGRJIWJFZSM-UHFFFAOYSA-N 1 0 321.346 3.423 50 0 DGAARO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)CCC2 ZINC000090534096 185301370 /nfs/dbraw/zinc/30/13/70/185301370.db2.gz XHLYUMYGRUSXFL-MFKMUULPSA-N 1 0 304.463 3.335 50 0 DGAARO CCc1nc(C)sc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000082098227 192354811 /nfs/dbraw/zinc/35/48/11/192354811.db2.gz IQAPDFCUUVFXOI-UHFFFAOYSA-N 1 0 321.490 3.104 50 0 DGAARO CSc1ccccc1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000082097966 192354820 /nfs/dbraw/zinc/35/48/20/192354820.db2.gz WSWURAJXEDJWKP-CYBMUJFWSA-N 1 0 304.459 3.107 50 0 DGAARO c1cc(-c2ccccc2)oc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647534 185331316 /nfs/dbraw/zinc/33/13/16/185331316.db2.gz UMKCNXZBEGQXHG-UHFFFAOYSA-N 1 0 308.385 3.375 50 0 DGAARO CN(Cc1ccncc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095400368 185354026 /nfs/dbraw/zinc/35/40/26/185354026.db2.gz OFWBHFNYPLTBPJ-IBGZPJMESA-N 1 0 323.440 3.095 50 0 DGAARO CCSCC[NH+]1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000095401462 185354728 /nfs/dbraw/zinc/35/47/28/185354728.db2.gz HQGHQENJWGDPNR-UHFFFAOYSA-N 1 0 312.523 3.291 50 0 DGAARO CCN(C)c1ccccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000095412239 185357887 /nfs/dbraw/zinc/35/78/87/185357887.db2.gz IKQLJDKWKJXOAF-UHFFFAOYSA-N 1 0 324.472 3.428 50 0 DGAARO CCc1ccc(C[NH2+]C2CCN(Cc3cscn3)CC2)o1 ZINC000095415451 185358760 /nfs/dbraw/zinc/35/87/60/185358760.db2.gz UNFFSJHSDRIZGN-UHFFFAOYSA-N 1 0 305.447 3.053 50 0 DGAARO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CC2 ZINC000095420505 185360053 /nfs/dbraw/zinc/36/00/53/185360053.db2.gz MCUDZEFXZRTGBE-ABAIWWIYSA-N 1 0 316.342 3.287 50 0 DGAARO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000095421054 185360352 /nfs/dbraw/zinc/36/03/52/185360352.db2.gz FUMMCBXHIJWKCL-CABCVRRESA-N 1 0 302.418 3.358 50 0 DGAARO CCOC[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000095420759 185360423 /nfs/dbraw/zinc/36/04/23/185360423.db2.gz NLJKBCYQQSMFOM-AWEZNQCLSA-N 1 0 311.853 3.403 50 0 DGAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)CC2 ZINC000095435738 185364885 /nfs/dbraw/zinc/36/48/85/185364885.db2.gz XJFREFQWFIPZBK-GOSISDBHSA-N 1 0 324.424 3.301 50 0 DGAARO O=c1ccccn1CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000095421242 185360475 /nfs/dbraw/zinc/36/04/75/185360475.db2.gz YYLROGANQRUIBQ-OAHLLOKOSA-N 1 0 302.443 3.357 50 0 DGAARO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000095420812 185360616 /nfs/dbraw/zinc/36/06/16/185360616.db2.gz JONKFXLKMJSEGO-JTQLQIEISA-N 1 0 314.788 3.361 50 0 DGAARO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1cncc(F)c1 ZINC000095422122 185360665 /nfs/dbraw/zinc/36/06/65/185360665.db2.gz HAOVAOKSOIUZBQ-NHYWBVRUSA-N 1 0 321.346 3.428 50 0 DGAARO CC(C)C(=O)N1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000095423787 185361016 /nfs/dbraw/zinc/36/10/16/185361016.db2.gz GZXSMGXMEQWMOD-HIFRSBDPSA-N 1 0 304.459 3.070 50 0 DGAARO C[C@@H]([NH2+]C[C@@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 ZINC000095423308 185361152 /nfs/dbraw/zinc/36/11/52/185361152.db2.gz 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ZINC000065394728 432011905 /nfs/dbraw/zinc/01/19/05/432011905.db2.gz BKKIMKOJZQPBHG-UHFFFAOYSA-N 1 0 324.472 3.286 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000021556535 282378039 /nfs/dbraw/zinc/37/80/39/282378039.db2.gz VYPOIPOBTXTHAI-GFCCVEGCSA-N 1 0 321.446 3.201 50 0 DGAARO C[C@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2Cl)on1 ZINC000067446528 190708482 /nfs/dbraw/zinc/70/84/82/190708482.db2.gz IRTKYVQRZGOXLK-GFCCVEGCSA-N 1 0 316.792 3.370 50 0 DGAARO c1cn(C2CCCC2)nc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000108376770 185508830 /nfs/dbraw/zinc/50/88/30/185508830.db2.gz WOITVOIRMASVPJ-KZNAEPCWSA-N 1 0 315.461 3.436 50 0 DGAARO COc1cccc(Cl)c1-c1csc(CN2CC[NH2+]CC2)c1 ZINC000067983551 190742338 /nfs/dbraw/zinc/74/23/38/190742338.db2.gz RYRJOEIULAXIQA-UHFFFAOYSA-N 1 0 322.861 3.482 50 0 DGAARO C[C@@H]1c2cccn2CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410419 432016438 /nfs/dbraw/zinc/01/64/38/432016438.db2.gz GXQROGXCHXVHJZ-MRXNPFEDSA-N 1 0 323.440 3.301 50 0 DGAARO CCCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CCCO3)c2C1 ZINC000066513394 432017313 /nfs/dbraw/zinc/01/73/13/432017313.db2.gz BYUDWDNMGIPSPB-HNNXBMFYSA-N 1 0 302.418 3.310 50 0 DGAARO C[C@H](C(=O)Nc1nc(C2CC2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000130342903 432022060 /nfs/dbraw/zinc/02/20/60/432022060.db2.gz DMGJNSJHVRWKJU-IINYFYTJSA-N 1 0 301.415 3.295 50 0 DGAARO C/C(=C\c1ccccc1)CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000083812962 192384318 /nfs/dbraw/zinc/38/43/18/192384318.db2.gz FCLMJEAISBFAFF-SAPNQHFASA-N 1 0 322.456 3.349 50 0 DGAARO C[N@@H+]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000083877982 192389303 /nfs/dbraw/zinc/38/93/03/192389303.db2.gz LRBATHGZVIHEKD-UHFFFAOYSA-N 1 0 305.422 3.087 50 0 DGAARO Cc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c2cccnc12 ZINC000071707944 191011702 /nfs/dbraw/zinc/01/17/02/191011702.db2.gz IDAABFZPBKCJGW-UHFFFAOYSA-N 1 0 323.440 3.130 50 0 DGAARO Cc1nc(CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)co1 ZINC000071746252 191019134 /nfs/dbraw/zinc/01/91/34/191019134.db2.gz 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/nfs/dbraw/zinc/05/45/89/191054589.db2.gz KIAKBHDWYUMPPL-KRWDZBQOSA-N 1 0 320.502 3.251 50 0 DGAARO OC[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000072150799 191055737 /nfs/dbraw/zinc/05/57/37/191055737.db2.gz SOPWONIOLJFVJK-GOSISDBHSA-N 1 0 317.454 3.124 50 0 DGAARO Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000072152504 191057797 /nfs/dbraw/zinc/05/77/97/191057797.db2.gz UCICNSCPVIKPRS-IBGZPJMESA-N 1 0 320.452 3.211 50 0 DGAARO Cc1cc(CNC(=O)c2cccc([C@@H]3CC[NH2+]C3)c2)ccc1F ZINC000072158340 191061426 /nfs/dbraw/zinc/06/14/26/191061426.db2.gz OIKQFRCIHMJKOO-QGZVFWFLSA-N 1 0 312.388 3.141 50 0 DGAARO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000106908246 432025254 /nfs/dbraw/zinc/02/52/54/432025254.db2.gz LHYWQDZDKOKJEQ-HUUCEWRRSA-N 1 0 319.836 3.252 50 0 DGAARO O=C1[C@@H]2CCC[C@H]2N1C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000106919226 432025262 /nfs/dbraw/zinc/02/52/62/432025262.db2.gz FLHDTFIVLISWIP-GUDVDZBRSA-N 1 0 310.441 3.497 50 0 DGAARO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000225585773 186280360 /nfs/dbraw/zinc/28/03/60/186280360.db2.gz UXALGOKOZJQPLB-ZDUSSCGKSA-N 1 0 308.853 3.385 50 0 DGAARO CSC[C@@](C)(O)C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000225604449 186282034 /nfs/dbraw/zinc/28/20/34/186282034.db2.gz DQGNGCGNFMNMPE-RISCZKNCSA-N 1 0 321.408 3.340 50 0 DGAARO CC(=O)N[C@H](C)C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000225625471 186284549 /nfs/dbraw/zinc/28/45/49/186284549.db2.gz DGBICOLUUFSUNX-SNVBAGLBSA-N 1 0 300.855 3.138 50 0 DGAARO Cc1cccc([C@H]2CCC[N@@H+]2CCCO[C@H]2CCCCO2)n1 ZINC000253392364 186302990 /nfs/dbraw/zinc/30/29/90/186302990.db2.gz HKFDXHPTARZRGT-MSOLQXFVSA-N 1 0 304.434 3.460 50 0 DGAARO Cc1cc(NCCCC[NH+]2CCCCCC2)n2nccc2n1 ZINC000072422691 191158047 /nfs/dbraw/zinc/15/80/47/191158047.db2.gz DPZUYJAOLZFBEL-UHFFFAOYSA-N 1 0 301.438 3.106 50 0 DGAARO COC[C@H]1CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072425558 191159545 /nfs/dbraw/zinc/15/95/45/191159545.db2.gz XEXLNSWGEIKINQ-SFHVURJKSA-N 1 0 305.462 3.249 50 0 DGAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000072439485 191167573 /nfs/dbraw/zinc/16/75/73/191167573.db2.gz LIJGPYHPKMDRNS-GOSISDBHSA-N 1 0 314.385 3.124 50 0 DGAARO Cc1nc(CN(CCc2ccccc2)C2CC[NH+](C)CC2)co1 ZINC000072439679 191167806 /nfs/dbraw/zinc/16/78/06/191167806.db2.gz YYPVPHLCIKXXSW-UHFFFAOYSA-N 1 0 313.445 3.122 50 0 DGAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](Cc1ccoc1)CC2 ZINC000072457400 191173138 /nfs/dbraw/zinc/17/31/38/191173138.db2.gz CTAZUXBXOJITJT-UHFFFAOYSA-N 1 0 324.424 3.294 50 0 DGAARO CCOc1ccc(-c2c[nH]c([C@H]3CCC[NH2+]C3)n2)cc1OCC ZINC000067641619 432033527 /nfs/dbraw/zinc/03/35/27/432033527.db2.gz HXHCBNDNQQCWSU-AWEZNQCLSA-N 1 0 315.417 3.341 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccco1)CC(C)C ZINC000067612220 432033642 /nfs/dbraw/zinc/03/36/42/432033642.db2.gz HQUVDDNSJNQEAF-HRCADAONSA-N 1 0 306.450 3.256 50 0 DGAARO Cc1cccc(-c2ncc(CN3CC[C@]4(C3)CCC[NH2+]C4)cn2)c1 ZINC000067677649 432034231 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C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000089375186 192775365 /nfs/dbraw/zinc/77/53/65/192775365.db2.gz FLRRMJDZSCZVAY-MRXNPFEDSA-N 1 0 320.864 3.073 50 0 DGAARO CCC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccsc1 ZINC000187807334 200159833 /nfs/dbraw/zinc/15/98/33/200159833.db2.gz NOEVWOICVDRZDI-CQSZACIVSA-N 1 0 301.477 3.004 50 0 DGAARO Cc1ncccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000237616316 202306368 /nfs/dbraw/zinc/30/63/68/202306368.db2.gz KAYVVDLDTYJSRI-LJQANCHMSA-N 1 0 310.397 3.402 50 0 DGAARO COc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000134798587 432085616 /nfs/dbraw/zinc/08/56/16/432085616.db2.gz JBHWZMPZILAQAW-KYABYICQSA-N 1 0 317.429 3.312 50 0 DGAARO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000134789517 432086313 /nfs/dbraw/zinc/08/63/13/432086313.db2.gz XOCGMPVDFONCHQ-BIMQEMHKSA-N 1 0 314.429 3.253 50 0 DGAARO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000237790366 202356452 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Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)CC1CC[NH+](C(C)C)CC1 ZINC000091985670 193135980 /nfs/dbraw/zinc/13/59/80/193135980.db2.gz XHJYSKQLYGWVST-HNNXBMFYSA-N 1 0 320.481 3.056 50 0 DGAARO COc1ccc(/C=C\C(=O)O[C@@H]2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000221992325 201598643 /nfs/dbraw/zinc/59/86/43/201598643.db2.gz YFCDMEJSQRDGGK-UDZWXDPDSA-N 1 0 317.429 3.372 50 0 DGAARO NC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000093051816 193198338 /nfs/dbraw/zinc/19/83/38/193198338.db2.gz WDAFMMUKSGAINW-UHFFFAOYSA-N 1 0 315.442 3.048 50 0 DGAARO c1ncc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000093840955 193315800 /nfs/dbraw/zinc/31/58/00/193315800.db2.gz XADQWUJHDBOQFL-LBPRGKRZSA-N 1 0 302.447 3.125 50 0 DGAARO CS[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000095961915 193460778 /nfs/dbraw/zinc/46/07/78/193460778.db2.gz IGAVZSWEJVOTJB-CABCVRRESA-N 1 0 312.523 3.287 50 0 DGAARO C[C@@H]([NH2+][C@@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 ZINC000095968337 193464862 /nfs/dbraw/zinc/46/48/62/193464862.db2.gz 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/nfs/dbraw/zinc/70/54/54/181705454.db2.gz YWPNEQLFJQXRAR-QGZVFWFLSA-N 1 0 306.425 3.343 50 0 DGAARO CC(C)/C=C/C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015069430 181986208 /nfs/dbraw/zinc/98/62/08/181986208.db2.gz JFDODUREGBFZDD-ZGKFYVQTSA-N 1 0 300.446 3.022 50 0 DGAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000015669116 182011255 /nfs/dbraw/zinc/01/12/55/182011255.db2.gz AQOHHQVJCDCJNS-UHFFFAOYSA-N 1 0 314.433 3.247 50 0 DGAARO Cc1ccc([N+]2=C3CCCCN3[C@@](O)(c3cccs3)C2)cc1 ZINC000015953374 182026356 /nfs/dbraw/zinc/02/63/56/182026356.db2.gz JVOFNBBDUCBYOB-SFHVURJKSA-N 1 0 313.446 3.317 50 0 DGAARO C[C@@H]1CCc2c(C(=O)NCC[NH+]3CCCCC3)csc2C1 ZINC000016602458 182051514 /nfs/dbraw/zinc/05/15/14/182051514.db2.gz SNJLZUGUEOZTSP-CYBMUJFWSA-N 1 0 306.475 3.089 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2C)CC1 ZINC000016602229 182051650 /nfs/dbraw/zinc/05/16/50/182051650.db2.gz AEOJKZLTJJNHFE-UHFFFAOYSA-N 1 0 300.402 3.345 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(C)c2C)CC1 ZINC000016603059 182052001 /nfs/dbraw/zinc/05/20/01/182052001.db2.gz SMGPEGVKISCIBL-MRXNPFEDSA-N 1 0 318.461 3.061 50 0 DGAARO CCc1cnc(-c2cccc(-c3ccn(CC[NH+](C)C)n3)c2)nc1 ZINC000019228034 182108795 /nfs/dbraw/zinc/10/87/95/182108795.db2.gz LEVDOFBCIMBEAH-UHFFFAOYSA-N 1 0 321.428 3.131 50 0 DGAARO COc1cccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000019359702 182118444 /nfs/dbraw/zinc/11/84/44/182118444.db2.gz IUBBRIYVAISNSG-QGZVFWFLSA-N 1 0 300.446 3.169 50 0 DGAARO CCC(CC)[NH+]1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000019359671 182118995 /nfs/dbraw/zinc/11/89/95/182118995.db2.gz LFAOXUSHKAORMF-UHFFFAOYSA-N 1 0 306.450 3.010 50 0 DGAARO CCOc1cc(CN2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000019532059 182129106 /nfs/dbraw/zinc/12/91/06/182129106.db2.gz OIOWSETZDFXMJW-UHFFFAOYSA-N 1 0 318.461 3.154 50 0 DGAARO COc1cc(C[NH2+]C[C@H]2OCCc3ccccc32)cc(OC)c1 ZINC000019703078 182137583 /nfs/dbraw/zinc/13/75/83/182137583.db2.gz SQZSGELVDMKNLT-LJQANCHMSA-N 1 0 313.397 3.107 50 0 biogenic DGAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(OC)c1OC ZINC000019720349 182138086 /nfs/dbraw/zinc/13/80/86/182138086.db2.gz YWHHDFSNQJBPFF-UHFFFAOYSA-N 1 0 319.376 3.184 50 0 DGAARO Cc1ccc(-n2cccn2)c(C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000019743661 182142416 /nfs/dbraw/zinc/14/24/16/182142416.db2.gz HVJXGHJRUVXNOY-SFHVURJKSA-N 1 0 319.408 3.274 50 0 DGAARO Cc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019900175 182161728 /nfs/dbraw/zinc/16/17/28/182161728.db2.gz GFZFAZDCVHIPOI-IAGOWNOFSA-N 1 0 302.462 3.069 50 0 DGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCCCC3)C2=O)cc1 ZINC000019889467 182160793 /nfs/dbraw/zinc/16/07/93/182160793.db2.gz VERBIKTULGISQK-KRWDZBQOSA-N 1 0 314.429 3.329 50 0 DGAARO CC(C)(C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100410 182187030 /nfs/dbraw/zinc/18/70/30/182187030.db2.gz ZMHKTKGXBZDUHC-UHFFFAOYSA-N 1 0 308.853 3.467 50 0 DGAARO CN(CCC[NH+]1CCCCC1)Cc1nc(-c2ccccc2)no1 ZINC000020211631 182197475 /nfs/dbraw/zinc/19/74/75/182197475.db2.gz KOVLSCYWTYNAFP-UHFFFAOYSA-N 1 0 314.433 3.044 50 0 DGAARO O=C(NC1Cc2ccccc2C1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020204441 182197694 /nfs/dbraw/zinc/19/76/94/182197694.db2.gz WSLXTQOYUQVZTL-OAHLLOKOSA-N 1 0 312.438 3.070 50 0 DGAARO CC[NH+]1CCN(CCOc2ccccc2Cc2ccccc2)CC1 ZINC000020389889 182213466 /nfs/dbraw/zinc/21/34/66/182213466.db2.gz AFBQNDLORVGNMV-UHFFFAOYSA-N 1 0 324.468 3.294 50 0 DGAARO OCC[C@@H]1C[N@@H+](C2CCCCC2)CCN1Cc1ccccc1F ZINC000020406837 182214703 /nfs/dbraw/zinc/21/47/03/182214703.db2.gz RWZKWVBOAZMYJY-GOSISDBHSA-N 1 0 320.452 3.027 50 0 DGAARO CC[NH+]1CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000020406266 182215040 /nfs/dbraw/zinc/21/50/40/182215040.db2.gz VXBWVPRIQALEGX-UHFFFAOYSA-N 1 0 316.367 3.112 50 0 DGAARO C[C@H]1C[NH+](C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000020329823 182208366 /nfs/dbraw/zinc/20/83/66/182208366.db2.gz AZDORFUDLGFHJW-GJZGRUSLSA-N 1 0 322.880 3.414 50 0 DGAARO Cn1cnnc1C1CC[NH+](CCCc2cccc(Cl)c2)CC1 ZINC000020514593 182226216 /nfs/dbraw/zinc/22/62/16/182226216.db2.gz WEYYEYNGOIARBN-UHFFFAOYSA-N 1 0 318.852 3.281 50 0 DGAARO Cc1cccnc1-c1cccc(-c2ccn(CC[NH+](C)C)n2)c1 ZINC000020910250 182253340 /nfs/dbraw/zinc/25/33/40/182253340.db2.gz IIUWAJANWLZVSV-UHFFFAOYSA-N 1 0 306.413 3.482 50 0 DGAARO c1cc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000020859273 182250070 /nfs/dbraw/zinc/25/00/70/182250070.db2.gz WCAYOUJHZMMTKE-OAHLLOKOSA-N 1 0 307.401 3.179 50 0 DGAARO CC[C@@H](C)NC(=O)N1CCC(C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021718305 182285505 /nfs/dbraw/zinc/28/55/05/182285505.db2.gz MFPSSODEZJRVRA-OWCLPIDISA-N 1 0 309.498 3.184 50 0 DGAARO O=C(NCCc1ccccn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000021774813 182288030 /nfs/dbraw/zinc/28/80/30/182288030.db2.gz FELMHHHMGHOEHZ-UHFFFAOYSA-N 1 0 323.440 3.040 50 0 DGAARO Fc1ccc([C@H](c2ccc(Cl)cc2)N2CC[NH2+]CC2)cc1 ZINC000022115352 182309224 /nfs/dbraw/zinc/30/92/24/182309224.db2.gz SLRHTFIIAZXDDI-KRWDZBQOSA-N 1 0 304.796 3.474 50 0 DGAARO COc1ccccc1NC(=O)CC[N@H+](C)Cc1ccccc1F ZINC000022198448 182312370 /nfs/dbraw/zinc/31/23/70/182312370.db2.gz DNOBUEDTPZNATD-UHFFFAOYSA-N 1 0 316.376 3.295 50 0 DGAARO COc1cccc([C@@H](CNC(=O)C2CCCC2)[NH+]2CCCC2)c1 ZINC000022869489 182338432 /nfs/dbraw/zinc/33/84/32/182338432.db2.gz DCGXGEXPWZQAKQ-GOSISDBHSA-N 1 0 316.445 3.139 50 0 DGAARO Cc1oc(-c2cc(F)ccc2F)nc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000023145673 182351441 /nfs/dbraw/zinc/35/14/41/182351441.db2.gz XYEVBQPXAQOXSQ-NSHDSACASA-N 1 0 321.371 3.064 50 0 DGAARO CCc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)o1 ZINC000023373787 182358217 /nfs/dbraw/zinc/35/82/17/182358217.db2.gz LNWMUMGIPBXCMF-KRWDZBQOSA-N 1 0 320.477 3.043 50 0 DGAARO O=c1[nH]c(C2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000024614082 182385217 /nfs/dbraw/zinc/38/52/17/182385217.db2.gz SPNBNPZXUXLEBL-UHFFFAOYSA-N 1 0 319.408 3.303 50 0 DGAARO NC(=O)[C@H]([NH2+]CCCSc1ccc(F)cc1)c1ccccc1 ZINC000040032385 183028710 /nfs/dbraw/zinc/02/87/10/183028710.db2.gz ISHNLNCFWOQGNW-MRXNPFEDSA-N 1 0 318.417 3.124 50 0 DGAARO Cc1ccc(C)c(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000039447173 183018350 /nfs/dbraw/zinc/01/83/50/183018350.db2.gz LABKDRADQWIFSG-LJQANCHMSA-N 1 0 318.505 3.218 50 0 DGAARO Cc1cccc(/C=C/C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000040107575 183036437 /nfs/dbraw/zinc/03/64/37/183036437.db2.gz HEDMPZXLXUPWHV-COCHJFRFSA-N 1 0 300.446 3.102 50 0 DGAARO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000040487742 183078459 /nfs/dbraw/zinc/07/84/59/183078459.db2.gz FMMURWOQSJRIOQ-LJQANCHMSA-N 1 0 309.409 3.315 50 0 DGAARO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)s1 ZINC000042206795 183242664 /nfs/dbraw/zinc/24/26/64/183242664.db2.gz FBGCBFMAFFHCPK-UHFFFAOYSA-N 1 0 304.415 3.044 50 0 DGAARO CC(C)C[NH+]1CCC(NCc2c[nH]nc2-c2ccccc2)CC1 ZINC000042207486 183242999 /nfs/dbraw/zinc/24/29/99/183242999.db2.gz BTHJPDSPMPFHLF-UHFFFAOYSA-N 1 0 312.461 3.287 50 0 DGAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000043268816 183349657 /nfs/dbraw/zinc/34/96/57/183349657.db2.gz WIRWJUIUXZDGOA-QGZVFWFLSA-N 1 0 302.418 3.036 50 0 DGAARO CC(C)(C)OC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000044138814 183396601 /nfs/dbraw/zinc/39/66/01/183396601.db2.gz IVRZAYIFKATGFM-UHFFFAOYSA-N 1 0 304.434 3.218 50 0 DGAARO CCN(C(=O)c1ccccn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106754017 194250320 /nfs/dbraw/zinc/25/03/20/194250320.db2.gz KZBYAZPOTCUKDD-AEFFLSMTSA-N 1 0 323.440 3.379 50 0 DGAARO CCCC[NH+]1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000052797973 183873855 /nfs/dbraw/zinc/87/38/55/183873855.db2.gz TXPFINCZJWAGRK-UHFFFAOYSA-N 1 0 313.445 3.091 50 0 DGAARO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157127958 197163585 /nfs/dbraw/zinc/16/35/85/197163585.db2.gz FUGNQFUPHMWKLQ-ZFWWWQNUSA-N 1 0 304.434 3.135 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Cl)Cc1ccccc1 ZINC000057287882 184032147 /nfs/dbraw/zinc/03/21/47/184032147.db2.gz DSTFEGBBWGAUEG-HNNXBMFYSA-N 1 0 316.832 3.243 50 0 DGAARO C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000057332148 184033379 /nfs/dbraw/zinc/03/33/79/184033379.db2.gz ZKMDEIUDXBMTKD-UHFFFAOYSA-N 1 0 313.328 3.270 50 0 DGAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1)C(=O)NCc1ccccc1 ZINC000057024407 184024843 /nfs/dbraw/zinc/02/48/43/184024843.db2.gz KANDBVPCKLDAQT-CYBMUJFWSA-N 1 0 302.805 3.135 50 0 DGAARO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000057456788 184039026 /nfs/dbraw/zinc/03/90/26/184039026.db2.gz QRZVOCKHHHKHNU-GFCCVEGCSA-N 1 0 302.349 3.124 50 0 DGAARO C[NH+](C)CCN(C(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000058100508 184074964 /nfs/dbraw/zinc/07/49/64/184074964.db2.gz LVQJINNDTOJSCW-CMDGGOBGSA-N 1 0 300.427 3.356 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)C1CCCCC1 ZINC000058178556 184084813 /nfs/dbraw/zinc/08/48/13/184084813.db2.gz AQBVKNUHFHTZTE-UHFFFAOYSA-N 1 0 318.436 3.487 50 0 DGAARO Cc1csc2nc(C[NH2+]C(C)(C)c3ccccc3)cc(=O)n12 ZINC000058209803 184088419 /nfs/dbraw/zinc/08/84/19/184088419.db2.gz CUGGDFNKNQWDEW-UHFFFAOYSA-N 1 0 313.426 3.089 50 0 DGAARO O=C(C[C@H]1C=CCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058229162 184091573 /nfs/dbraw/zinc/09/15/73/184091573.db2.gz YLBVRAHUSSSVHW-HKUYNNGSSA-N 1 0 312.457 3.371 50 0 DGAARO C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058161079 184082557 /nfs/dbraw/zinc/08/25/57/184082557.db2.gz KRCQTGZVZPLBRQ-RYUDHWBXSA-N 1 0 324.877 3.174 50 0 DGAARO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000058378317 184110069 /nfs/dbraw/zinc/11/00/69/184110069.db2.gz QEIZAORKJXJENY-RBUKOAKNSA-N 1 0 311.425 3.224 50 0 DGAARO CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2cccc(Cl)c2)C1 ZINC000058392424 184111957 /nfs/dbraw/zinc/11/19/57/184111957.db2.gz GBCXVYPAZLWPMY-HNNXBMFYSA-N 1 0 308.853 3.121 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCCC1 ZINC000058391798 184111470 /nfs/dbraw/zinc/11/14/70/184111470.db2.gz DXOZHTNQPHWTQY-UHFFFAOYSA-N 1 0 304.409 3.097 50 0 DGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccs1 ZINC000058289255 184100308 /nfs/dbraw/zinc/10/03/08/184100308.db2.gz FKMXJRHFIMTLHZ-ZDUSSCGKSA-N 1 0 320.483 3.452 50 0 DGAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc3[nH]c(C)c(C)c3c1)CN2 ZINC000058292647 184101487 /nfs/dbraw/zinc/10/14/87/184101487.db2.gz IENAEQVLWIFGSX-INIZCTEOSA-N 1 0 323.444 3.121 50 0 DGAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@H](C)c1cc(C)sc1C)CN2 ZINC000058294450 184101866 /nfs/dbraw/zinc/10/18/66/184101866.db2.gz WKLBANUMSNLCHV-OCCSQVGLSA-N 1 0 304.463 3.262 50 0 DGAARO CC[N@@H+]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000058324763 184105283 /nfs/dbraw/zinc/10/52/83/184105283.db2.gz JUYDIVCCSAEKJE-UHFFFAOYSA-N 1 0 315.339 3.265 50 0 DGAARO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)no2)c1 ZINC000058332155 184106744 /nfs/dbraw/zinc/10/67/44/184106744.db2.gz ZSDPQGCGOFONIW-CHWSQXEVSA-N 1 0 317.389 3.060 50 0 DGAARO C[C@H](Cc1ccsc1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000062646755 184246857 /nfs/dbraw/zinc/24/68/57/184246857.db2.gz MGGATPQORPPXAI-HUUCEWRRSA-N 1 0 323.506 3.100 50 0 DGAARO c1coc(-c2nc(C[NH2+]C[C@@H]3Cc4ccccc4O3)cs2)c1 ZINC000063510697 184284049 /nfs/dbraw/zinc/28/40/49/184284049.db2.gz DVWLVNAFOVRLPE-AWEZNQCLSA-N 1 0 312.394 3.496 50 0 DGAARO c1ccc([C@H]2CCCN(CC[NH2+]C3CCSCC3)C2)cc1 ZINC000065393673 184334499 /nfs/dbraw/zinc/33/44/99/184334499.db2.gz AIPWBXOHYIYSAF-KRWDZBQOSA-N 1 0 304.503 3.351 50 0 DGAARO c1cc(C[N@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)co1 ZINC000065287780 184322712 /nfs/dbraw/zinc/32/27/12/184322712.db2.gz RJNJABSRLVJECP-GOSISDBHSA-N 1 0 322.412 3.299 50 0 DGAARO C[C@H](CC(F)(F)F)[NH2+]Cc1cnn(-c2cccc(F)c2)c1 ZINC000065371438 184329998 /nfs/dbraw/zinc/32/99/98/184329998.db2.gz STGFPXWNRPOZGH-SNVBAGLBSA-N 1 0 301.287 3.442 50 0 DGAARO O=C(CCc1ccccc1)NCC1=CC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000065381108 184332083 /nfs/dbraw/zinc/33/20/83/184332083.db2.gz ZKBWIHPYMZELFI-HXUWFJFHSA-N 1 0 324.468 3.476 50 0 DGAARO OCc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)o1 ZINC000065405845 184338505 /nfs/dbraw/zinc/33/85/05/184338505.db2.gz BFVBOWLAYMKDBO-UHFFFAOYSA-N 1 0 321.804 3.469 50 0 DGAARO COc1cc(CC[C@H](C)[NH2+]Cc2c(C)noc2C)ccc1O ZINC000065526861 184359646 /nfs/dbraw/zinc/35/96/46/184359646.db2.gz YLPQGABUOUDNFU-NSHDSACASA-N 1 0 304.390 3.117 50 0 DGAARO CC[C@H]1CN(CCOc2ccc(C)cc2OC)CC[N@@H+]1C(C)C ZINC000065508802 184357446 /nfs/dbraw/zinc/35/74/46/184357446.db2.gz PRCGGWSDDXOAHI-KRWDZBQOSA-N 1 0 320.477 3.187 50 0 DGAARO Cc1nccn1-c1ccccc1CNC(=O)Cc1cccs1 ZINC000065740109 184377844 /nfs/dbraw/zinc/37/78/44/184377844.db2.gz BAFVNPCVVFHLDQ-UHFFFAOYSA-N 1 0 311.410 3.101 50 0 DGAARO CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000065865492 184381653 /nfs/dbraw/zinc/38/16/53/184381653.db2.gz DVTINYHKGBMBLT-OAHLLOKOSA-N 1 0 304.409 3.049 50 0 DGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000299740222 532984034 /nfs/dbraw/zinc/98/40/34/532984034.db2.gz XDHNZZYHEQYYSV-ZYHUDNBSSA-N 1 0 306.793 3.286 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000158989023 197316966 /nfs/dbraw/zinc/31/69/66/197316966.db2.gz QETQNNILQVEDOQ-SFHVURJKSA-N 1 0 322.452 3.349 50 0 DGAARO [NH3+][C@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000158507616 197279135 /nfs/dbraw/zinc/27/91/35/197279135.db2.gz JACJKPTZELZRHK-JTQLQIEISA-N 1 0 321.273 3.327 50 0 DGAARO Cc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)c(C)c1 ZINC000353579440 257236678 /nfs/dbraw/zinc/23/66/78/257236678.db2.gz GHTHCEYOSIGXSM-UHFFFAOYSA-N 1 0 311.429 3.470 50 0 DGAARO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000236632910 257239487 /nfs/dbraw/zinc/23/94/87/257239487.db2.gz JDZBWUVMOAFAAT-ZMSDIMECSA-N 1 0 318.461 3.224 50 0 DGAARO C[NH+](C)[C@H](CCC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000521394349 257241511 /nfs/dbraw/zinc/24/15/11/257241511.db2.gz GRTPCGRBEIURRX-DLBZAZTESA-N 1 0 318.461 3.143 50 0 DGAARO COc1ccc(OC)c(C2=CN(O)C(C)(C)C(C)(C)[N+]2=O)c1 ZINC000334157208 257261674 /nfs/dbraw/zinc/26/16/74/257261674.db2.gz ILUJFGXTVCBICL-UHFFFAOYSA-N 1 0 307.370 3.043 50 0 DGAARO CCCC[N@H+](C)Cc1cc(Br)c(O)c(OC)c1 ZINC000003682051 257267329 /nfs/dbraw/zinc/26/73/29/257267329.db2.gz ZNFSAFBFSKRFKO-UHFFFAOYSA-N 1 0 302.212 3.395 50 0 DGAARO 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CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(-n2cccn2)cc1 ZINC000055342166 400864310 /nfs/dbraw/zinc/86/43/10/400864310.db2.gz LLTOLFSTGLKQDP-UHFFFAOYSA-N 1 0 323.444 3.264 50 0 DGAARO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000175547034 400867523 /nfs/dbraw/zinc/86/75/23/400867523.db2.gz ADWOTELBKGEMSP-AWEZNQCLSA-N 1 0 319.449 3.355 50 0 DGAARO COc1ccccc1/C=C\C[NH2+]CCCO[C@H]1CCCCO1 ZINC000606444631 400912847 /nfs/dbraw/zinc/91/28/47/400912847.db2.gz QGJTZPHBBDRLOZ-KKMIYCERSA-N 1 0 305.418 3.231 50 0 DGAARO CSCC[C@H]([NH2+][C@@H]1CCCSC1)c1nnc2ccccn21 ZINC000195558446 400925267 /nfs/dbraw/zinc/92/52/67/400925267.db2.gz TWBWQYFDAKLOCX-OLZOCXBDSA-N 1 0 322.503 3.009 50 0 DGAARO C[C@@H](O)CC[NH2+][C@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553588 400925398 /nfs/dbraw/zinc/92/53/98/400925398.db2.gz LUSGTYRQXSEEKN-NXEZZACHSA-N 1 0 315.339 3.014 50 0 DGAARO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000195559834 400925723 /nfs/dbraw/zinc/92/57/23/400925723.db2.gz 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CC[NH+](CC)CCN1COc2c(cc(Cl)c3cccnc32)C1 ZINC000022926556 276326380 /nfs/dbraw/zinc/32/63/80/276326380.db2.gz WCFNWZHJCJOGNP-UHFFFAOYSA-N 1 0 319.836 3.382 50 0 DGAARO C[C@@H](c1ccc(-c2nc(N)nc3nc[nH]c32)cc1)[NH+]1CCCCC1 ZINC000534646612 430162140 /nfs/dbraw/zinc/16/21/40/430162140.db2.gz QITHMZNIOPAESC-LBPRGKRZSA-N 1 0 322.416 3.149 50 0 DGAARO C[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2Cc1ccccc1 ZINC000008394156 277036322 /nfs/dbraw/zinc/03/63/22/277036322.db2.gz FQHYKXOCXNPSAK-UHFFFAOYSA-N 1 0 321.424 3.176 50 0 DGAARO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000035571329 277182365 /nfs/dbraw/zinc/18/23/65/277182365.db2.gz MRMIQWNSSBRSLQ-OAHLLOKOSA-N 1 0 302.418 3.359 50 0 DGAARO COc1cc(C[NH2+]Cc2ccccc2-n2cccn2)cc(OC)c1 ZINC000058208848 277818308 /nfs/dbraw/zinc/81/83/08/277818308.db2.gz VKRJNVQKOQYDFA-UHFFFAOYSA-N 1 0 323.396 3.179 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(-c2ccccc2)n1)[C@H](C)n1cccn1 ZINC000069372210 278359197 /nfs/dbraw/zinc/35/91/97/278359197.db2.gz 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431241673 /nfs/dbraw/zinc/24/16/73/431241673.db2.gz UNKKWMMFZAGSBC-UWVGGRQHSA-N 1 0 301.217 3.193 50 0 DGAARO COc1cccc(OC)c1OCCCC[NH2+]Cc1ccco1 ZINC000002277385 431249047 /nfs/dbraw/zinc/24/90/47/431249047.db2.gz NWBGPWSXIXUYHZ-UHFFFAOYSA-N 1 0 305.374 3.246 50 0 DGAARO c1ccc(C2CCC([NH2+]CCCN3CCOCC3)CC2)cc1 ZINC000002498991 431254110 /nfs/dbraw/zinc/25/41/10/431254110.db2.gz UAEURQDPBMJDGW-UHFFFAOYSA-N 1 0 302.462 3.025 50 0 DGAARO CCOC(=O)CCC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514541 431254872 /nfs/dbraw/zinc/25/48/72/431254872.db2.gz WHRNLDCWDWJFGX-UHFFFAOYSA-N 1 0 303.402 3.199 50 0 DGAARO CCOc1ccccc1OCCOCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000003003830 431282405 /nfs/dbraw/zinc/28/24/05/431282405.db2.gz OFFPUJGGOWRIQW-IRXDYDNUSA-N 1 0 321.461 3.459 50 0 DGAARO Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000071824111 431296797 /nfs/dbraw/zinc/29/67/97/431296797.db2.gz RUDFNIJLVKKWJD-UHFFFAOYSA-N 1 0 323.440 3.223 50 0 DGAARO Cc1cc(C)n2nc3c(c2n1)c(C)cc(C)[n+]3-c1ccccc1 ZINC000004126564 431297608 /nfs/dbraw/zinc/29/76/08/431297608.db2.gz YHSBMHAJSLSYGL-UHFFFAOYSA-N 1 0 303.389 3.393 50 0 DGAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc[nH]2)N3)C1 ZINC000004555304 431300891 /nfs/dbraw/zinc/30/08/91/431300891.db2.gz QTLYIIYFAAOBHL-CQSZACIVSA-N 1 0 316.430 3.272 50 0 DGAARO Cc1cccc(O[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000005002350 431303361 /nfs/dbraw/zinc/30/33/61/431303361.db2.gz WGXSYQCOLGRNLU-CQSZACIVSA-N 1 0 318.461 3.188 50 0 DGAARO Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H]2Cn2cccn2)c1 ZINC000071875655 431304963 /nfs/dbraw/zinc/30/49/63/431304963.db2.gz QIVUCWGKSHKMFA-QGZVFWFLSA-N 1 0 310.376 3.235 50 0 DGAARO COc1cccc(OCCOCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000002822226 431271980 /nfs/dbraw/zinc/27/19/80/431271980.db2.gz ITHJEVKAQFDUKH-HOTGVXAUSA-N 1 0 307.434 3.069 50 0 DGAARO COc1ccc(-c2ccc(C[NH2+]C(C)(C)CO)o2)cc1Cl ZINC000006883163 431322650 /nfs/dbraw/zinc/32/26/50/431322650.db2.gz XGZPJNZQBPBJPR-UHFFFAOYSA-N 1 0 309.793 3.469 50 0 DGAARO CC(C)c1cc(CN(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)on1 ZINC000072149824 431331543 /nfs/dbraw/zinc/33/15/43/431331543.db2.gz QCWPLYOCQBSIGR-MAUKXSAKSA-N 1 0 305.466 3.494 50 0 DGAARO COc1ccc(Br)cc1C[NH2+]Cc1ccncc1 ZINC000007275952 431340094 /nfs/dbraw/zinc/34/00/94/431340094.db2.gz ABOJUMOHOUTFOR-UHFFFAOYSA-N 1 0 307.191 3.143 50 0 DGAARO CCC[NH+]1CCN(c2nc(C)nc3sc4c(c32)CCC4)CC1 ZINC000008063299 431378837 /nfs/dbraw/zinc/37/88/37/431378837.db2.gz WZRUOWJTEOXJHX-UHFFFAOYSA-N 1 0 316.474 3.020 50 0 DGAARO CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000008326385 431391977 /nfs/dbraw/zinc/39/19/77/431391977.db2.gz LLYQGHJMQQQHFU-INIZCTEOSA-N 1 0 303.377 3.265 50 0 DGAARO CCCC[NH2+]Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000008343464 431392248 /nfs/dbraw/zinc/39/22/48/431392248.db2.gz IVTLTXOHIRRRQT-UHFFFAOYSA-N 1 0 313.426 3.313 50 0 DGAARO c1ccc(CN2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000008731135 431407550 /nfs/dbraw/zinc/40/75/50/431407550.db2.gz WXWMMFLCDASCOG-UHFFFAOYSA-N 1 0 324.424 3.170 50 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ZINC000012074930 431490681 /nfs/dbraw/zinc/49/06/81/431490681.db2.gz SAHYWFDTVYJVJH-UHFFFAOYSA-N 1 0 304.438 3.059 50 0 DGAARO O=C1CC[N@@H+](Cc2ccoc2)CCN1Cc1cccc(Cl)c1 ZINC000012149919 431494808 /nfs/dbraw/zinc/49/48/08/431494808.db2.gz FPGOZMZQEJKWBI-UHFFFAOYSA-N 1 0 318.804 3.168 50 0 DGAARO CC(=O)Nc1cccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1 ZINC000075898572 431503794 /nfs/dbraw/zinc/50/37/94/431503794.db2.gz JJQYMFWYRWELFB-LJQANCHMSA-N 1 0 312.413 3.201 50 0 DGAARO [NH3+]C1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000012396848 431507387 /nfs/dbraw/zinc/50/73/87/431507387.db2.gz VSYWOSYSTWYZGG-UHFFFAOYSA-N 1 0 322.334 3.090 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2Cl)C1 ZINC000013646480 431562789 /nfs/dbraw/zinc/56/27/89/431562789.db2.gz PCYURQFCTSIWCX-KBPBESRZSA-N 1 0 308.853 3.438 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccsc1 ZINC000013011236 431544961 /nfs/dbraw/zinc/54/49/61/431544961.db2.gz UWDLBVDFMVAXEC-CQSZACIVSA-N 1 0 310.369 3.059 50 0 DGAARO CC(=O)N1CC[n+]2c(-c3ccc(Cl)cc3Cl)csc21 ZINC000013110962 431547665 /nfs/dbraw/zinc/54/76/65/431547665.db2.gz ZOVRVRPHVGPAED-UHFFFAOYSA-N 1 0 314.217 3.376 50 0 DGAARO CCC[NH+]1CCC(NC(=O)Nc2cccc(SC)c2)CC1 ZINC000013737223 431567235 /nfs/dbraw/zinc/56/72/35/431567235.db2.gz RUQWXUJOMZAZRP-UHFFFAOYSA-N 1 0 307.463 3.404 50 0 DGAARO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)Cc1cccc2ccccc21 ZINC000077169537 431571178 /nfs/dbraw/zinc/57/11/78/431571178.db2.gz GJLHZSJENLZLLN-CQSZACIVSA-N 1 0 320.396 3.089 50 0 DGAARO Cc1ccc(-c2ccc(CCC(=O)N3CC[C@H]4C[NH2+]C[C@H]43)o2)cc1 ZINC000077470120 431598100 /nfs/dbraw/zinc/59/81/00/431598100.db2.gz NIFFMZSKKVAMDW-FUHWJXTLSA-N 1 0 324.424 3.008 50 0 DGAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000015062882 431602323 /nfs/dbraw/zinc/60/23/23/431602323.db2.gz KCDLFZOCRDYIQQ-CYBMUJFWSA-N 1 0 320.396 3.403 50 0 DGAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000077321190 431580712 /nfs/dbraw/zinc/58/07/12/431580712.db2.gz 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431622214 /nfs/dbraw/zinc/62/22/14/431622214.db2.gz REFQRQKUKTWIFL-HOTGVXAUSA-N 1 0 307.434 3.272 50 0 DGAARO c1cc(-c2cccc(-c3ccccc3N3CC[NH2+]CC3)c2)n[nH]1 ZINC000020255951 431622560 /nfs/dbraw/zinc/62/25/60/431622560.db2.gz GRRHDFOXLWNBJA-UHFFFAOYSA-N 1 0 304.397 3.153 50 0 DGAARO CCOc1ccccc1OCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167561 431623859 /nfs/dbraw/zinc/62/38/59/431623859.db2.gz KHMIEYFZCOFTEM-HZPDHXFCSA-N 1 0 307.434 3.354 50 0 DGAARO CC[N@H+](Cc1cccs1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000024740382 431644286 /nfs/dbraw/zinc/64/42/86/431644286.db2.gz OLRNBCSJMOOYSI-UHFFFAOYSA-N 1 0 313.426 3.087 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccsc1 ZINC000025812598 431666287 /nfs/dbraw/zinc/66/62/87/431666287.db2.gz CMSRRJQYUYHITJ-INIZCTEOSA-N 1 0 313.426 3.262 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2COc3c2ccc(C)c3C)cc1 ZINC000078553845 431682589 /nfs/dbraw/zinc/68/25/89/431682589.db2.gz ZCOWFHIERMMAGS-GOSISDBHSA-N 1 0 310.397 3.485 50 0 DGAARO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000078578651 431685563 /nfs/dbraw/zinc/68/55/63/431685563.db2.gz VCBGIVLLQXDAFE-GOSISDBHSA-N 1 0 318.461 3.240 50 0 DGAARO CCc1ccc(OCC(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000027579799 431688660 /nfs/dbraw/zinc/68/86/60/431688660.db2.gz GLBDRGVRJMFBSX-UHFFFAOYSA-N 1 0 318.461 3.009 50 0 DGAARO Cc1cc(N2CCN(c3nccs3)CC2)c2ccccc2[nH+]1 ZINC000089583055 280560864 /nfs/dbraw/zinc/56/08/64/280560864.db2.gz JWVPLSMQXPBYCY-UHFFFAOYSA-N 1 0 310.426 3.326 50 0 DGAARO Cc1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)on1 ZINC000079503103 431730077 /nfs/dbraw/zinc/73/00/77/431730077.db2.gz GXVXAZWDRIFVAS-QGZVFWFLSA-N 1 0 300.402 3.207 50 0 DGAARO Cc1ccc(C)c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000031338061 431757714 /nfs/dbraw/zinc/75/77/14/431757714.db2.gz SEORBMTVXTWOBL-UHFFFAOYSA-N 1 0 308.425 3.092 50 0 DGAARO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000032806018 431792817 /nfs/dbraw/zinc/79/28/17/431792817.db2.gz LPIUXADZGWPPLD-GFCCVEGCSA-N 1 0 317.360 3.472 50 0 DGAARO C[NH+](C)CCNc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000033012215 431804210 /nfs/dbraw/zinc/80/42/10/431804210.db2.gz SUXIYNJKRXBDEF-UHFFFAOYSA-N 1 0 310.376 3.409 50 0 DGAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)n2ccsc2n1 ZINC000033068889 431806268 /nfs/dbraw/zinc/80/62/68/431806268.db2.gz SFUAGQSXZFNAJY-UHFFFAOYSA-N 1 0 313.426 3.168 50 0 DGAARO O=C(NCCC1=CCCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128979 431808258 /nfs/dbraw/zinc/80/82/58/431808258.db2.gz CHABZXGCTKTFLG-UHFFFAOYSA-N 1 0 313.445 3.305 50 0 DGAARO Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000032398926 431776849 /nfs/dbraw/zinc/77/68/49/431776849.db2.gz KDGSHFHJULHUDU-UHFFFAOYSA-N 1 0 322.452 3.482 50 0 DGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000032398867 431776896 /nfs/dbraw/zinc/77/68/96/431776896.db2.gz SSMMMRAHBNEOPA-UHFFFAOYSA-N 1 0 312.388 3.004 50 0 DGAARO Cc1ccoc1CNc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000086258115 431844389 /nfs/dbraw/zinc/84/43/89/431844389.db2.gz AQVIQJJYTOTRHU-UHFFFAOYSA-N 1 0 314.429 3.404 50 0 DGAARO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037996998 431853552 /nfs/dbraw/zinc/85/35/52/431853552.db2.gz FJCCKTYXGKVHRY-CQSZACIVSA-N 1 0 305.809 3.249 50 0 DGAARO CC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000089657573 431873864 /nfs/dbraw/zinc/87/38/64/431873864.db2.gz LKLWLNLTMKPMEO-GUYCJALGSA-N 1 0 300.402 3.088 50 0 DGAARO Brc1csc(C[NH2+]CCOc2ccccn2)c1 ZINC000035287305 431827745 /nfs/dbraw/zinc/82/77/45/431827745.db2.gz VKBSFDMYRGDJGB-UHFFFAOYSA-N 1 0 313.220 3.074 50 0 DGAARO Cc1ccc(/C=C\C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)o1 ZINC000035681665 431833322 /nfs/dbraw/zinc/83/33/22/431833322.db2.gz QHJWXRGONUWWMY-HLRDLLSLSA-N 1 0 314.385 3.148 50 0 DGAARO CCC[N@@H+](Cc1ccco1)C[C@@H](O)COCc1ccccc1 ZINC000036096496 431834898 /nfs/dbraw/zinc/83/48/98/431834898.db2.gz KUFDGDMEPORTMO-QGZVFWFLSA-N 1 0 303.402 3.069 50 0 DGAARO CCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COCc1ccco1 ZINC000036101479 431835156 /nfs/dbraw/zinc/83/51/56/431835156.db2.gz CLIMTUABPUOACY-OAHLLOKOSA-N 1 0 323.458 3.439 50 0 DGAARO COCCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000036100529 431835994 /nfs/dbraw/zinc/83/59/94/431835994.db2.gz UDVHENGPDKDLHF-GOSISDBHSA-N 1 0 323.477 3.010 50 0 DGAARO C[NH+](C)CCNc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000036613532 431839515 /nfs/dbraw/zinc/83/95/15/431839515.db2.gz ZHHXVQHMFUDJSB-UHFFFAOYSA-N 1 0 316.352 3.197 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)n1)c1ccsc1 ZINC000036397331 431839791 /nfs/dbraw/zinc/83/97/91/431839791.db2.gz RBGXTFXRZNOGSD-INIZCTEOSA-N 1 0 317.458 3.264 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(F)cc(F)c2)C1 ZINC000047415967 431910531 /nfs/dbraw/zinc/91/05/31/431910531.db2.gz BSUYUODMVXVPRG-STQMWFEESA-N 1 0 310.388 3.063 50 0 DGAARO CC(C)CC[NH+]1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000047867672 431916077 /nfs/dbraw/zinc/91/60/77/431916077.db2.gz PDJVOBDWPJTWJS-CQSZACIVSA-N 1 0 308.470 3.092 50 0 DGAARO COc1cccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048252807 431921720 /nfs/dbraw/zinc/92/17/20/431921720.db2.gz KPBNPRKQURCWMW-QGZVFWFLSA-N 1 0 313.401 3.120 50 0 DGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1Cc2ccccc2C1 ZINC000095359040 431923126 /nfs/dbraw/zinc/92/31/26/431923126.db2.gz UIRQTKYVFQYMBK-UHFFFAOYSA-N 1 0 310.397 3.034 50 0 DGAARO O=C(Nc1cccnc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000048313090 431923127 /nfs/dbraw/zinc/92/31/27/431923127.db2.gz FEKDGKJTINBVAO-HNNXBMFYSA-N 1 0 313.376 3.071 50 0 DGAARO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)o1 ZINC000095386462 431923840 /nfs/dbraw/zinc/92/38/40/431923840.db2.gz RUIWFDXPIXSPGT-JKSUJKDBSA-N 1 0 316.445 3.065 50 0 DGAARO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000048324907 431924136 /nfs/dbraw/zinc/92/41/36/431924136.db2.gz SFPFDTJFKBPYIZ-QLFBSQMISA-N 1 0 306.475 3.390 50 0 DGAARO Cc1ccccc1CC1(NC(=O)CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000095376547 431924167 /nfs/dbraw/zinc/92/41/67/431924167.db2.gz IBPGDYHDGYBSJM-QGZVFWFLSA-N 1 0 314.473 3.308 50 0 DGAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2ccccn2)CC1 ZINC000095389580 431924761 /nfs/dbraw/zinc/92/47/61/431924761.db2.gz AZYDTPQFIKOVET-GOSISDBHSA-N 1 0 315.461 3.256 50 0 DGAARO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000095423166 431924916 /nfs/dbraw/zinc/92/49/16/431924916.db2.gz NSWKLQACMZSEDR-ZDUSSCGKSA-N 1 0 301.390 3.051 50 0 DGAARO CC(C)CSC[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000095420314 431925093 /nfs/dbraw/zinc/92/50/93/431925093.db2.gz QGKLVLKUIUMVTH-OAHLLOKOSA-N 1 0 307.507 3.418 50 0 DGAARO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cnccn2)c(Cl)c1 ZINC000089669759 431874299 /nfs/dbraw/zinc/87/42/99/431874299.db2.gz YIAQBPXAIZAHCZ-LBPRGKRZSA-N 1 0 318.808 3.118 50 0 DGAARO OC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CCSCC1 ZINC000089807723 431880739 /nfs/dbraw/zinc/88/07/39/431880739.db2.gz UOTXHXLZJICZPI-UHFFFAOYSA-N 1 0 322.861 3.236 50 0 DGAARO O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000089827698 431881272 /nfs/dbraw/zinc/88/12/72/431881272.db2.gz GMGFLZUEHDPSIJ-SFHVURJKSA-N 1 0 312.457 3.241 50 0 DGAARO Cc1ccc([C@H](O)C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000095404031 431925509 /nfs/dbraw/zinc/92/55/09/431925509.db2.gz SQEYKBCFCWYXQL-DZFGPLHGSA-N 1 0 324.468 3.454 50 0 DGAARO C[C@H]1C[C@@H](NC(=O)CCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000089920328 431885554 /nfs/dbraw/zinc/88/55/54/431885554.db2.gz JRDBICHPJLHHPH-GXTWGEPZSA-N 1 0 314.351 3.108 50 0 DGAARO CC(=O)N1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@@H](C)C1 ZINC000089937666 431886699 /nfs/dbraw/zinc/88/66/99/431886699.db2.gz VHVFHTLSFCAHDU-LRDDRELGSA-N 1 0 302.443 3.248 50 0 DGAARO CCC[N@H+](Cc1ccco1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000045974085 431892547 /nfs/dbraw/zinc/89/25/47/431892547.db2.gz XCFDQGZFZVZBHA-UHFFFAOYSA-N 1 0 311.385 3.008 50 0 DGAARO Cc1nc2c(s1)[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)CCC2 ZINC000090891119 431897713 /nfs/dbraw/zinc/89/77/13/431897713.db2.gz GTZXKYHIVIGPQP-PBHICJAKSA-N 1 0 320.433 3.465 50 0 DGAARO O=C(c1sc2cccc(F)c2c1Cl)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000091965208 431906759 /nfs/dbraw/zinc/90/67/59/431906759.db2.gz VHAAUADQOFEZER-WCBMZHEXSA-N 1 0 324.808 3.128 50 0 DGAARO CN(CCSc1ccccc1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000097600926 431971808 /nfs/dbraw/zinc/97/18/08/431971808.db2.gz OVDQJHWRRUHGMY-INIZCTEOSA-N 1 0 306.475 3.112 50 0 DGAARO CSc1cccc(CN2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000097637940 431972132 /nfs/dbraw/zinc/97/21/32/431972132.db2.gz CYPCDSRXABMMBS-KRWDZBQOSA-N 1 0 320.502 3.095 50 0 DGAARO Fc1ccc(-c2nc3c([nH]2)C[N@@H+]([C@H]2CCSC2)CC3)c(F)c1 ZINC000097655492 431972290 /nfs/dbraw/zinc/97/22/90/431972290.db2.gz HQBFAVYZKUZOPM-NSHDSACASA-N 1 0 321.396 3.219 50 0 DGAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccco3)c1)C2 ZINC000097694951 431973774 /nfs/dbraw/zinc/97/37/74/431973774.db2.gz VWAWPMYFVNZZEW-SJORKVTESA-N 1 0 310.397 3.047 50 0 DGAARO CSCCCNC(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000097743620 431974001 /nfs/dbraw/zinc/97/40/01/431974001.db2.gz CKJRBZOOGAIBHB-ZDUSSCGKSA-N 1 0 310.463 3.309 50 0 DGAARO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 ZINC000097733019 431974448 /nfs/dbraw/zinc/97/44/48/431974448.db2.gz HXQLQTQXIPTVIB-MOPGFXCFSA-N 1 0 308.425 3.487 50 0 DGAARO Fc1ccc(COc2cccc(-c3nc4c([nH]3)C[NH2+]CC4)c2)cc1 ZINC000097732732 431974450 /nfs/dbraw/zinc/97/44/50/431974450.db2.gz AUMBUYIHPHXMME-UHFFFAOYSA-N 1 0 323.371 3.441 50 0 DGAARO CCOc1ccc(CN(C(=O)[C@@H](C)[NH+]2CCCC2)C2CC2)cc1 ZINC000055072809 431976418 /nfs/dbraw/zinc/97/64/18/431976418.db2.gz HCDAKZZGQJOZFP-OAHLLOKOSA-N 1 0 316.445 3.061 50 0 DGAARO CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055212139 431978155 /nfs/dbraw/zinc/97/81/55/431978155.db2.gz XPADMYINMLEZFQ-RBUKOAKNSA-N 1 0 318.509 3.143 50 0 DGAARO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000095943533 431927504 /nfs/dbraw/zinc/92/75/04/431927504.db2.gz CQDGOPJCQIYBHB-SCZZXKLOSA-N 1 0 319.232 3.378 50 0 DGAARO OCc1cccc(C[NH2+]Cc2csc(Br)c2)c1 ZINC000095948567 431927802 /nfs/dbraw/zinc/92/78/02/431927802.db2.gz WLABNPGVLIYUIT-UHFFFAOYSA-N 1 0 312.232 3.293 50 0 DGAARO COc1ccccc1[C@@H](CNc1nc2ccccc2[nH]1)[NH+](C)C ZINC000095947813 431927951 /nfs/dbraw/zinc/92/79/51/431927951.db2.gz XZEWWBDBZMRTNU-MRXNPFEDSA-N 1 0 310.401 3.286 50 0 DGAARO CC[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)C(C)C ZINC000095967483 431929048 /nfs/dbraw/zinc/92/90/48/431929048.db2.gz VMYOBNBJFDWTMW-QZTJIDSGSA-N 1 0 308.441 3.223 50 0 DGAARO Cc1nnc(SCC[C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC000095975905 431930943 /nfs/dbraw/zinc/93/09/43/431930943.db2.gz MSCVGPVCYVBQLI-MRXNPFEDSA-N 1 0 316.474 3.211 50 0 DGAARO COc1ccc(-c2nc(SCC[C@@H]3CCC[N@@H+]3C)n[nH]2)cc1 ZINC000095975910 431931087 /nfs/dbraw/zinc/93/10/87/431931087.db2.gz XIJGDDOODFCQJA-ZDUSSCGKSA-N 1 0 318.446 3.057 50 0 DGAARO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000095975169 431931147 /nfs/dbraw/zinc/93/11/47/431931147.db2.gz POQKKXHVMWEZGH-PWSUYJOCSA-N 1 0 321.314 3.128 50 0 DGAARO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000095975166 431931179 /nfs/dbraw/zinc/93/11/79/431931179.db2.gz POQKKXHVMWEZGH-CMPLNLGQSA-N 1 0 321.314 3.128 50 0 DGAARO Cc1csc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000095977588 431931190 /nfs/dbraw/zinc/93/11/90/431931190.db2.gz RXNFPKCFGXVHNQ-GFCCVEGCSA-N 1 0 300.786 3.067 50 0 DGAARO COc1ccc(NC(=O)N2CCCC[C@@H]2CC[NH+](C)C)cc1 ZINC000095981267 431931788 /nfs/dbraw/zinc/93/17/88/431931788.db2.gz PIMDOPIDIKHJGB-OAHLLOKOSA-N 1 0 305.422 3.033 50 0 DGAARO COc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)c3ccncc3)oc21 ZINC000095988113 431932472 /nfs/dbraw/zinc/93/24/72/431932472.db2.gz FHCLLKVUKLLMQS-DOMZBBRYSA-N 1 0 312.369 3.221 50 0 DGAARO Cc1ncccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000095988579 431932569 /nfs/dbraw/zinc/93/25/69/431932569.db2.gz SDARCUPRKCHXFG-IRXDYDNUSA-N 1 0 304.340 3.288 50 0 DGAARO Cc1ccc(NC(=O)c2ncoc2C(C)C)c(C[NH+](C)C)c1 ZINC000095991078 431932920 /nfs/dbraw/zinc/93/29/20/431932920.db2.gz COIXDCIPYBKMLF-UHFFFAOYSA-N 1 0 301.390 3.420 50 0 DGAARO C[C@H](c1ccc(-c2cccc(OCC(N)=O)c2)cc1)[NH+]1CCCC1 ZINC000096140086 431939990 /nfs/dbraw/zinc/93/99/90/431939990.db2.gz LEBREPNVDWKFNS-OAHLLOKOSA-N 1 0 324.424 3.375 50 0 DGAARO O=C(/C=C\c1cccnc1)Nc1ccccc1C[NH+]1CCCC1 ZINC000096166144 431940340 /nfs/dbraw/zinc/94/03/40/431940340.db2.gz OAAAWHJIJFEUCN-KTKRTIGZSA-N 1 0 307.397 3.329 50 0 DGAARO Cc1ccc(-c2nc([C@@H]3CC[NH2+]C3)n(Cc3cccc(C)c3)n2)o1 ZINC000096148663 431940756 /nfs/dbraw/zinc/94/07/56/431940756.db2.gz IHXPGLPLXVFFJC-MRXNPFEDSA-N 1 0 322.412 3.280 50 0 DGAARO CCc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)cc1 ZINC000049604853 431942526 /nfs/dbraw/zinc/94/25/26/431942526.db2.gz FRWMBCHIHYBKSD-AWEZNQCLSA-N 1 0 300.402 3.151 50 0 DGAARO O=C(/C=C\c1ccccn1)Nc1ccccc1C[NH+]1CCCC1 ZINC000055343779 431980133 /nfs/dbraw/zinc/98/01/33/431980133.db2.gz GCEDPWWAJIKWGK-KHPPLWFESA-N 1 0 307.397 3.329 50 0 DGAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccco1 ZINC000096432961 431948608 /nfs/dbraw/zinc/94/86/08/431948608.db2.gz ZZDAPLYYOVNWEW-LPADLIQXSA-N 1 0 324.424 3.273 50 0 DGAARO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1ncc2ccccc21 ZINC000096451800 431950714 /nfs/dbraw/zinc/95/07/14/431950714.db2.gz CWLDWXKEXURPIK-UHFFFAOYSA-N 1 0 322.412 3.045 50 0 DGAARO Fc1ccccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000096455938 431951835 /nfs/dbraw/zinc/95/18/35/431951835.db2.gz IHDICCHDPIYIBM-KRWDZBQOSA-N 1 0 307.409 3.376 50 0 DGAARO Cc1ccc(CNCc2ccc(C)cc2O[C@H]2CCOC2)o1 ZINC000096466779 431952398 /nfs/dbraw/zinc/95/23/98/431952398.db2.gz OEFCQYVNVWLTAM-KRWDZBQOSA-N 1 0 301.386 3.354 50 0 DGAARO COc1ccc(CN(Cc2nnc(C)o2)C(C)(C)C)c(OC)c1 ZINC000096474636 431952543 /nfs/dbraw/zinc/95/25/43/431952543.db2.gz VNFNDDJTGCLXRQ-UHFFFAOYSA-N 1 0 319.405 3.196 50 0 DGAARO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000096478195 431952747 /nfs/dbraw/zinc/95/27/47/431952747.db2.gz LAKLVMFWLRGXAG-RKDXNWHRSA-N 1 0 324.309 3.275 50 0 DGAARO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000096479051 431953016 /nfs/dbraw/zinc/95/30/16/431953016.db2.gz BVSOUDSQZHHPBC-YJBOKZPZSA-N 1 0 304.503 3.382 50 0 DGAARO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000096490994 431953561 /nfs/dbraw/zinc/95/35/61/431953561.db2.gz CZNAUZLKYAURTG-KGLIPLIRSA-N 1 0 302.418 3.112 50 0 DGAARO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000096490996 431953571 /nfs/dbraw/zinc/95/35/71/431953571.db2.gz CZNAUZLKYAURTG-UONOGXRCSA-N 1 0 302.418 3.112 50 0 DGAARO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)ccc1F ZINC000096489379 431953575 /nfs/dbraw/zinc/95/35/75/431953575.db2.gz AKAAWMPZMUVNBJ-OCCSQVGLSA-N 1 0 303.381 3.005 50 0 DGAARO c1ccc2nc(NC3CC[NH+](Cc4ccncc4)CC3)cnc2c1 ZINC000052447932 431955434 /nfs/dbraw/zinc/95/54/34/431955434.db2.gz MPQDHSZFBBZYEM-UHFFFAOYSA-N 1 0 319.412 3.101 50 0 DGAARO C[C@H](NCC1([NH+]2CCCCC2)CCCCC1)c1nccn1C ZINC000097002013 431956369 /nfs/dbraw/zinc/95/63/69/431956369.db2.gz LAUNOLNDVLEDTM-INIZCTEOSA-N 1 0 304.482 3.260 50 0 DGAARO C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(=[NH2+])N1 ZINC000052509444 431956450 /nfs/dbraw/zinc/95/64/50/431956450.db2.gz MJQMRGWYPNIERM-HNNXBMFYSA-N 1 0 320.368 3.089 50 0 investigational DGAARO O=S1(=O)CCC[C@@H]1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000097034750 431957300 /nfs/dbraw/zinc/95/73/00/431957300.db2.gz NRIZTVJGMVHWKG-IAGOWNOFSA-N 1 0 307.459 3.085 50 0 DGAARO Cc1cc(C)[nH+]c(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000097038364 431957377 /nfs/dbraw/zinc/95/73/77/431957377.db2.gz FHIBONSZYJXEMP-ZDUSSCGKSA-N 1 0 319.430 3.243 50 0 DGAARO CCn1cc(C[NH+]2CCC(OCc3ccccc3F)CC2)cn1 ZINC000097051429 431958676 /nfs/dbraw/zinc/95/86/76/431958676.db2.gz FQUAYNPMBRBDIW-UHFFFAOYSA-N 1 0 317.408 3.223 50 0 DGAARO Clc1cc2c(c(C[NH+]3CCC(n4ccnc4)CC3)c1)OCC2 ZINC000097084340 431960033 /nfs/dbraw/zinc/96/00/33/431960033.db2.gz ZQRXFDKGERMTSE-UHFFFAOYSA-N 1 0 317.820 3.309 50 0 DGAARO COc1ccc(C(C)(C)C)cc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000097087936 431960129 /nfs/dbraw/zinc/96/01/29/431960129.db2.gz BTKRGGPHNYDAAK-CQSZACIVSA-N 1 0 319.449 3.256 50 0 DGAARO CC(=O)NC[C@H]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000097085930 431960168 /nfs/dbraw/zinc/96/01/68/431960168.db2.gz NRZGFHVZCHUXNZ-MRXNPFEDSA-N 1 0 311.429 3.204 50 0 DGAARO O=C(NCc1ccco1)[C@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000097104421 431961142 /nfs/dbraw/zinc/96/11/42/431961142.db2.gz KIXKTGNEZJUANE-GOSISDBHSA-N 1 0 321.380 3.113 50 0 DGAARO O=c1cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)nc2sccn21 ZINC000053211312 431961508 /nfs/dbraw/zinc/96/15/08/431961508.db2.gz UWNGVNFPRYCMLF-OAHLLOKOSA-N 1 0 317.458 3.301 50 0 DGAARO COc1ccc(CC[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1OC ZINC000097159604 431963006 /nfs/dbraw/zinc/96/30/06/431963006.db2.gz ABBITSRZFPVXQD-UHFFFAOYSA-N 1 0 317.433 3.057 50 0 DGAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1ccc(Cl)s1)CC2 ZINC000097199489 431963978 /nfs/dbraw/zinc/96/39/78/431963978.db2.gz NGPUWDTXOVMPLM-JTQLQIEISA-N 1 0 310.854 3.221 50 0 DGAARO C[NH+](C)[C@H](CNc1ncnc2ccsc21)c1cccs1 ZINC000053496574 431964292 /nfs/dbraw/zinc/96/42/92/431964292.db2.gz JAYNTLRMHJHWMA-LLVKDONJSA-N 1 0 304.444 3.468 50 0 DGAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)CC2 ZINC000097199437 431964547 /nfs/dbraw/zinc/96/45/47/431964547.db2.gz ABUBNRMRRLSIPF-LBPRGKRZSA-N 1 0 322.815 3.299 50 0 DGAARO Cn1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)cc1=O ZINC000053644013 431964695 /nfs/dbraw/zinc/96/46/95/431964695.db2.gz LSCCKZSHZSFKHY-KRWDZBQOSA-N 1 0 302.393 3.401 50 0 DGAARO Cc1cc(C)n(-c2cccc(CN3CC([NH+]4CCCCC4)C3)c2)n1 ZINC000097288716 431966609 /nfs/dbraw/zinc/96/66/09/431966609.db2.gz ZAJPNOLFACXPAD-UHFFFAOYSA-N 1 0 324.472 3.159 50 0 DGAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccncc2)c(F)c1 ZINC000097370713 431967852 /nfs/dbraw/zinc/96/78/52/431967852.db2.gz ODNFVGWAMICUPE-CHWSQXEVSA-N 1 0 301.365 3.207 50 0 DGAARO COc1ccc(/C=C/C[N@@H+]2CC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000097360127 431968115 /nfs/dbraw/zinc/96/81/15/431968115.db2.gz FWWRLLIIUDXTIN-SHCNBLLESA-N 1 0 311.429 3.469 50 0 DGAARO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223211 431968753 /nfs/dbraw/zinc/96/87/53/431968753.db2.gz UKMKVNKIMRWVEO-DZGCQCFKSA-N 1 0 315.442 3.017 50 0 DGAARO CCC[NH+]1CCC(Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 ZINC000097378238 431968837 /nfs/dbraw/zinc/96/88/37/431968837.db2.gz JUOWCCPJNVVJHY-UHFFFAOYSA-N 1 0 317.477 3.420 50 0 DGAARO COc1ccc(OCC2CC[NH+](Cc3[nH]cnc3C)CC2)cc1 ZINC000097437004 431969470 /nfs/dbraw/zinc/96/94/70/431969470.db2.gz QAKUIBJGEVDKHX-UHFFFAOYSA-N 1 0 315.417 3.018 50 0 DGAARO CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cs1 ZINC000055505118 431982936 /nfs/dbraw/zinc/98/29/36/431982936.db2.gz BVWKXEKARDLUDB-MRXNPFEDSA-N 1 0 315.442 3.309 50 0 DGAARO CCN(C/C=C/c1ccccc1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000055413255 431981863 /nfs/dbraw/zinc/98/18/63/431981863.db2.gz VSGMFCYWVWVJPO-CECLQJIQSA-N 1 0 308.425 3.118 50 0 DGAARO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c(C)n1 ZINC000248126222 432269891 /nfs/dbraw/zinc/26/98/91/432269891.db2.gz WZSBNVDKAXHGAG-INMHGKMJSA-N 1 0 315.461 3.176 50 0 DGAARO C[NH2+]CC1CCN(C(=O)/C=C/c2ccc(C)c(Cl)c2)CC1 ZINC000152237930 432316411 /nfs/dbraw/zinc/31/64/11/432316411.db2.gz UCRBLTLJLNEHGP-AATRIKPKSA-N 1 0 306.837 3.120 50 0 DGAARO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000248768774 432317460 /nfs/dbraw/zinc/31/74/60/432317460.db2.gz XOCGMPVDFONCHQ-XKDXWZMYSA-N 1 0 314.429 3.253 50 0 DGAARO C(c1nc(C2CCCC2)no1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000152313738 432323539 /nfs/dbraw/zinc/32/35/39/432323539.db2.gz SUFHPCGIFRQBHU-INIZCTEOSA-N 1 0 318.465 3.178 50 0 DGAARO C[C@@H](O)C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183924253 432334306 /nfs/dbraw/zinc/33/43/06/432334306.db2.gz LAVSZOXLHXLWAD-QMTHXVAHSA-N 1 0 310.191 3.102 50 0 DGAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000252453006 432376645 /nfs/dbraw/zinc/37/66/45/432376645.db2.gz VMZHTWSAQSNGLX-OALUTQOASA-N 1 0 314.473 3.485 50 0 DGAARO C[NH2+]Cc1cc(CC[C@@H]2COc3ccccc3O2)ccc1OC ZINC000252478858 432377974 /nfs/dbraw/zinc/37/79/74/432377974.db2.gz AWIMAVHWXFOMJT-MRXNPFEDSA-N 1 0 313.397 3.187 50 0 DGAARO CC(C)Cc1cccc([C@H](C)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000252489247 432379831 /nfs/dbraw/zinc/37/98/31/432379831.db2.gz JMOGACGRTNQHEA-HNNXBMFYSA-N 1 0 302.462 3.199 50 0 DGAARO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCSC(C)(C)C)CC1 ZINC000252508226 432380979 /nfs/dbraw/zinc/38/09/79/432380979.db2.gz XHJCPZZQKOINJR-AWEZNQCLSA-N 1 0 314.539 3.391 50 0 DGAARO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000252513032 432381141 /nfs/dbraw/zinc/38/11/41/432381141.db2.gz WZICMJLRVJXJHW-PSUSHLJKSA-N 1 0 301.496 3.002 50 0 DGAARO Cc1ccc2nc(C[N@@H+](C)[C@@H](C)Cc3ncccc3C)cn2c1 ZINC000252500536 432381759 /nfs/dbraw/zinc/38/17/59/432381759.db2.gz SXJKEKMXKIWKEF-INIZCTEOSA-N 1 0 308.429 3.409 50 0 DGAARO CCC[N@H+](Cc1nnc(C2CCC2)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000252516664 432383029 /nfs/dbraw/zinc/38/30/29/432383029.db2.gz VWCJBZVLOYRUOF-BMFZPTHFSA-N 1 0 319.449 3.363 50 0 DGAARO OCc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000253425713 432395896 /nfs/dbraw/zinc/39/58/96/432395896.db2.gz GOBFWTXXEZACRE-IAGOWNOFSA-N 1 0 317.454 3.329 50 0 DGAARO Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)c(SC(F)(F)F)c1 ZINC000253432874 432397464 /nfs/dbraw/zinc/39/74/64/432397464.db2.gz PGUUPZWSJCCIGC-VIFPVBQESA-N 1 0 304.337 3.155 50 0 DGAARO Cc1c[nH]c(C[N@H+](CC2CCC2)C[C@@H]2CCCO2)c(C)c1=O ZINC000253537200 432399117 /nfs/dbraw/zinc/39/91/17/432399117.db2.gz BKBPYJULKUSRIJ-INIZCTEOSA-N 1 0 304.434 3.185 50 0 DGAARO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CC1CCOCC1 ZINC000184535579 432403849 /nfs/dbraw/zinc/40/38/49/432403849.db2.gz MHYIZKKVKKDSBU-LJQANCHMSA-N 1 0 304.478 3.159 50 0 DGAARO COc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1F ZINC000192951595 432432563 /nfs/dbraw/zinc/43/25/63/432432563.db2.gz FRWNXYPGWCFHGC-OAHLLOKOSA-N 1 0 303.381 3.176 50 0 DGAARO Cc1ccc(-c2nc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)co2)cc1 ZINC000261827756 432454328 /nfs/dbraw/zinc/45/43/28/432454328.db2.gz XJYISDFDAMGMSU-BYICEURKSA-N 1 0 311.429 3.365 50 0 DGAARO CCC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257179632 432416899 /nfs/dbraw/zinc/41/68/99/432416899.db2.gz JCERAFQSSKMNOM-GOSISDBHSA-N 1 0 300.446 3.471 50 0 DGAARO CC(C)Nc1ccc(F)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194716482 432570597 /nfs/dbraw/zinc/57/05/97/432570597.db2.gz XHLBVAMJQCYRDB-UHFFFAOYSA-N 1 0 319.424 3.459 50 0 DGAARO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000195548510 432626825 /nfs/dbraw/zinc/62/68/25/432626825.db2.gz RFDPTZQQZIRLQG-NVXWUHKLSA-N 1 0 301.386 3.376 50 0 DGAARO COCc1cc(C[N@H+](C)[C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000216133085 432648104 /nfs/dbraw/zinc/64/81/04/432648104.db2.gz QFLBBLHULHSQQA-MRXNPFEDSA-N 1 0 307.434 3.231 50 0 DGAARO COc1cccc(OC[C@H]2CCCN(Cc3cscn3)C2)c1 ZINC000216107602 432648380 /nfs/dbraw/zinc/64/83/80/432648380.db2.gz FRBAIVJUCFZLCU-AWEZNQCLSA-N 1 0 318.442 3.443 50 0 DGAARO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC000215236323 432643766 /nfs/dbraw/zinc/64/37/66/432643766.db2.gz RIJKMYRDNGUUMX-OAHLLOKOSA-N 1 0 310.397 3.189 50 0 DGAARO OC[C@H]1CCCCC[N@@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000215217666 432643818 /nfs/dbraw/zinc/64/38/18/432643818.db2.gz ZJDHRDOHILAPJX-QGZVFWFLSA-N 1 0 303.450 3.261 50 0 DGAARO Cc1ccc(F)cc1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000215658295 432645281 /nfs/dbraw/zinc/64/52/81/432645281.db2.gz KQAYTTYJKFBJEH-UHFFFAOYSA-N 1 0 324.443 3.419 50 0 DGAARO COCc1ccc([C@H]2CCCN2Cc2ncc([C@H](C)O)s2)o1 ZINC000225515236 432692522 /nfs/dbraw/zinc/69/25/22/432692522.db2.gz YFAWKOGTJIMUNU-WCQYABFASA-N 1 0 322.430 3.273 50 0 DGAARO COCC[NH+]1CCN([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000225539627 432693903 /nfs/dbraw/zinc/69/39/03/432693903.db2.gz ZKPDETDDWXLALX-CYBMUJFWSA-N 1 0 316.367 3.030 50 0 DGAARO Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000225827633 432699891 /nfs/dbraw/zinc/69/98/91/432699891.db2.gz JLOXREWWNJGYOF-IBGZPJMESA-N 1 0 312.413 3.060 50 0 DGAARO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(Br)cs1 ZINC000226397893 432706402 /nfs/dbraw/zinc/70/64/02/432706402.db2.gz CMOSJYRMWPLOMG-OMQMVUIESA-N 1 0 324.309 3.318 50 0 DGAARO O=C(CCc1ccc(Cl)s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229356791 432721683 /nfs/dbraw/zinc/72/16/83/432721683.db2.gz YMLXGAZDSCTJJG-OLZOCXBDSA-N 1 0 312.866 3.077 50 0 DGAARO Cc1csc2nc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)cc(=O)n12 ZINC000230147927 432724381 /nfs/dbraw/zinc/72/43/81/432724381.db2.gz RRFNNMHBODCXBF-UKRRQHHQSA-N 1 0 317.458 3.219 50 0 DGAARO CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000230111410 432724938 /nfs/dbraw/zinc/72/49/38/432724938.db2.gz DMXWLEXAWLMSNQ-HKUYNNGSSA-N 1 0 300.446 3.160 50 0 DGAARO CS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000221897661 432670400 /nfs/dbraw/zinc/67/04/00/432670400.db2.gz VNOZQQBCJYOWKV-LVQVYYBASA-N 1 0 312.523 3.334 50 0 DGAARO Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000187893781 432691511 /nfs/dbraw/zinc/69/15/11/432691511.db2.gz ZPAQMMVLBUZQNK-LLVKDONJSA-N 1 0 306.207 3.398 50 0 DGAARO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)sc1-c1ccc(F)cc1 ZINC000178571356 432754626 /nfs/dbraw/zinc/75/46/26/432754626.db2.gz AEANCZQVSIVIJP-GFCCVEGCSA-N 1 0 318.417 3.283 50 0 DGAARO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c(Cl)c1 ZINC000242147489 432817272 /nfs/dbraw/zinc/81/72/72/432817272.db2.gz WSENVPKEEPXAMS-YVLXSGLVSA-N 1 0 308.809 3.208 50 0 DGAARO C[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1n1ccnc1 ZINC000242389605 432818174 /nfs/dbraw/zinc/81/81/74/432818174.db2.gz ZYTJSWGYRHMFTF-VQIMIIECSA-N 1 0 321.428 3.152 50 0 DGAARO COCCN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C ZINC000243885853 432820161 /nfs/dbraw/zinc/82/01/61/432820161.db2.gz ACVWLFVUSMMSGP-LJQANCHMSA-N 1 0 304.478 3.318 50 0 DGAARO CCC[N@@H+](Cc1cc(-c2ccncc2)no1)C[C@@H]1CCCO1 ZINC000244734267 432822210 /nfs/dbraw/zinc/82/22/10/432822210.db2.gz NCGDPJVTQAIUCT-HNNXBMFYSA-N 1 0 301.390 3.128 50 0 DGAARO CCc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2Cl)on1 ZINC000244700959 432822712 /nfs/dbraw/zinc/82/27/12/432822712.db2.gz JXFZLNVVFUHMFJ-UHFFFAOYSA-N 1 0 321.808 3.351 50 0 DGAARO COc1cccc([C@@H](C)[N@H+](C)CCC(=O)Nc2cccnc2)c1 ZINC000244882814 432823635 /nfs/dbraw/zinc/82/36/35/432823635.db2.gz XZLKLDVIMILUDX-CQSZACIVSA-N 1 0 313.401 3.112 50 0 DGAARO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1nccs1 ZINC000244873234 432823838 /nfs/dbraw/zinc/82/38/38/432823838.db2.gz WMICAMAGLVEOAJ-CQSZACIVSA-N 1 0 319.405 3.448 50 0 DGAARO Cc1cc(N2CCC(CNC(=O)c3cccs3)CC2)cc[nH+]1 ZINC000245015221 432823899 /nfs/dbraw/zinc/82/38/99/432823899.db2.gz LRXFPNUMMKVCHR-UHFFFAOYSA-N 1 0 315.442 3.098 50 0 DGAARO O=C(CC[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1nccs1 ZINC000244873233 432824366 /nfs/dbraw/zinc/82/43/66/432824366.db2.gz WMICAMAGLVEOAJ-AWEZNQCLSA-N 1 0 319.405 3.448 50 0 DGAARO C[C@@H]1SCCN(C(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000237385255 432785719 /nfs/dbraw/zinc/78/57/19/432785719.db2.gz ZEDZRLIUVNXTNS-KSSFIOAISA-N 1 0 318.486 3.081 50 0 DGAARO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000280270771 433026727 /nfs/dbraw/zinc/02/67/27/433026727.db2.gz CYHLUDGXQYIVDH-CALCHBBNSA-N 1 0 313.470 3.015 50 0 DGAARO CC[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)[C@H]1C[C@H]1C ZINC000414162563 433431328 /nfs/dbraw/zinc/43/13/28/433431328.db2.gz MCDUCHJFIGFHJU-JHNDHUHGSA-N 1 0 304.434 3.021 50 0 DGAARO CC[C@@H](C)n1nccc1NC(=O)N(C)CC[NH+]1CCCCCC1 ZINC000299772951 433381287 /nfs/dbraw/zinc/38/12/87/433381287.db2.gz DEKXBVUSMMXOPA-OAHLLOKOSA-N 1 0 321.469 3.194 50 0 DGAARO Cc1ccc(C(=O)NCC2CC[NH+](C(C)C)CC2)n1C(F)F ZINC000299786452 433387681 /nfs/dbraw/zinc/38/76/81/433387681.db2.gz KPXVTIVNSCIWPN-UHFFFAOYSA-N 1 0 313.392 3.042 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)N1CCCCC1 ZINC000127894480 290008407 /nfs/dbraw/zinc/00/84/07/290008407.db2.gz QHTXAIRQYMWABB-YNEHKIRRSA-N 1 0 306.372 3.098 50 0 DGAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2ccsc2)cc1 ZINC000426361879 433474722 /nfs/dbraw/zinc/47/47/22/433474722.db2.gz CSNGWFRQBMKRBT-QGZVFWFLSA-N 1 0 312.438 3.239 50 0 DGAARO Cc1ccccc1-n1c(C[NH3+])nnc1SCC[C@@H]1CC1(F)F ZINC000426575006 433533440 /nfs/dbraw/zinc/53/34/40/433533440.db2.gz LLMDEQVMTMMAAF-LLVKDONJSA-N 1 0 324.400 3.172 50 0 DGAARO COc1ccc(F)c(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000339370808 433539834 /nfs/dbraw/zinc/53/98/34/433539834.db2.gz FBVQYAYOASDQIP-OAHLLOKOSA-N 1 0 317.408 3.259 50 0 DGAARO C=Cc1cccc(C[N@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c1 ZINC000426651388 433552751 /nfs/dbraw/zinc/55/27/51/433552751.db2.gz UJCLLNPLPBCHIM-GBESFXJTSA-N 1 0 301.430 3.488 50 0 DGAARO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3coc4ccccc34)[C@H]2C1 ZINC000342431079 433691614 /nfs/dbraw/zinc/69/16/14/433691614.db2.gz RAMLFGQMFDWRLZ-JCGIZDLHSA-N 1 0 312.413 3.169 50 0 DGAARO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3coc4ccccc34)[C@@H]2C1 ZINC000342431080 433691912 /nfs/dbraw/zinc/69/19/12/433691912.db2.gz RAMLFGQMFDWRLZ-QGTPRVQTSA-N 1 0 312.413 3.169 50 0 DGAARO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cncn1C)CCCO2 ZINC000377795493 293712529 /nfs/dbraw/zinc/71/25/29/293712529.db2.gz DUPHEWQSBJNIGO-OAHLLOKOSA-N 1 0 305.809 3.385 50 0 DGAARO CCOCC[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285869865 434091054 /nfs/dbraw/zinc/09/10/54/434091054.db2.gz YWDBCLCSNDCRGM-SFHVURJKSA-N 1 0 300.402 3.000 50 0 DGAARO COc1cc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c(F)cn1 ZINC000287631377 434414582 /nfs/dbraw/zinc/41/45/82/434414582.db2.gz KJZYSEVHGCHHCP-HIFRSBDPSA-N 1 0 318.392 3.046 50 0 DGAARO Clc1ccc(-c2ncc(CNCc3cc[nH]n3)s2)cc1 ZINC000341024016 434493365 /nfs/dbraw/zinc/49/33/65/434493365.db2.gz YHBXYZBUBRYPGU-UHFFFAOYSA-N 1 0 304.806 3.476 50 0 DGAARO FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000408519476 434582884 /nfs/dbraw/zinc/58/28/84/434582884.db2.gz CUMBZFVHWVNZOX-KBPBESRZSA-N 1 0 324.419 3.229 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000408519214 434584227 /nfs/dbraw/zinc/58/42/27/434584227.db2.gz SUUGSTWWGKNTIL-KWCYVHTRSA-N 1 0 314.351 3.061 50 0 DGAARO CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000408524703 434585952 /nfs/dbraw/zinc/58/59/52/434585952.db2.gz XYLWCJHNOABLRR-QGZVFWFLSA-N 1 0 324.424 3.437 50 0 DGAARO COc1ccc([C@H]([NH2+]CCCc2cncn2C)C(C)C)cc1 ZINC000408523828 434587257 /nfs/dbraw/zinc/58/72/57/434587257.db2.gz NVYZWKSCVYQSCT-GOSISDBHSA-N 1 0 301.434 3.348 50 0 DGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccccc1 ZINC000409413108 434600112 /nfs/dbraw/zinc/60/01/12/434600112.db2.gz CPBGZZHMGMCDSR-DOTOQJQBSA-N 1 0 301.434 3.415 50 0 biogenic DGAARO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000343880457 297534368 /nfs/dbraw/zinc/53/43/68/297534368.db2.gz QBMUJZROEADCQJ-CORIIIEPSA-N 1 0 322.836 3.058 50 0 DGAARO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(C(F)F)nc1 ZINC000657837399 436321026 /nfs/dbraw/zinc/32/10/26/436321026.db2.gz ZNGRFOLDNQBQDI-LLVKDONJSA-N 1 0 306.360 3.331 50 0 DGAARO C[C@H](C1CC(F)(F)C1)N(CC[NH3+])c1ccc2ccccc2n1 ZINC000529608329 313238364 /nfs/dbraw/zinc/23/83/64/313238364.db2.gz MIUGYXCCAXQHPQ-GFCCVEGCSA-N 1 0 305.372 3.434 50 0 DGAARO CSc1cccc(F)c1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000578007439 316293542 /nfs/dbraw/zinc/29/35/42/316293542.db2.gz QDRGQAPNENJXRY-CQSZACIVSA-N 1 0 305.418 3.241 50 0 DGAARO c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000097236034 323210498 /nfs/dbraw/zinc/21/04/98/323210498.db2.gz OTOQLBDIMYIYRS-CQSZACIVSA-N 1 0 309.369 3.442 50 0 DGAARO c1cn(CCC[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)nn1 ZINC000184268044 323361138 /nfs/dbraw/zinc/36/11/38/323361138.db2.gz YWKBSZPZMOGFIT-IBGZPJMESA-N 1 0 312.461 3.449 50 0 DGAARO C[C@H](CN1CCCCC1)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000534642856 334306014 /nfs/dbraw/zinc/30/60/14/334306014.db2.gz CBVZOTSYQBTMAW-CQSZACIVSA-N 1 0 317.408 3.445 50 0 DGAARO C[C@H](NC(=O)N1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000534646520 334306251 /nfs/dbraw/zinc/30/62/51/334306251.db2.gz XIMVORKKRDMKDZ-INIZCTEOSA-N 1 0 315.461 3.265 50 0 DGAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]C1(Cc2cccc(C)c2)CC1 ZINC000534654397 334313083 /nfs/dbraw/zinc/31/30/83/334313083.db2.gz BEUVVASVKMCQIR-HNNXBMFYSA-N 1 0 302.462 3.353 50 0 DGAARO CC[NH+](CC)CC1(NC(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000534667860 334319433 /nfs/dbraw/zinc/31/94/33/334319433.db2.gz FWEOPZSGHVNQKH-UHFFFAOYSA-N 1 0 312.816 3.012 50 0 DGAARO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414691432 534690814 /nfs/dbraw/zinc/69/08/14/534690814.db2.gz JFCODBJMPUZVHT-MRVPVSSYSA-N 1 0 321.730 3.171 50 0 DGAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1oc2ccc(C)cc2c1C ZINC000214986047 524081688 /nfs/dbraw/zinc/08/16/88/524081688.db2.gz JCFXFFGENBCOCQ-HNNXBMFYSA-N 1 0 300.402 3.150 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nc(C(C)C)nc32)C1(C)C ZINC000245885936 527952607 /nfs/dbraw/zinc/95/26/07/527952607.db2.gz LMLJOYQFPRFQSL-MELADBBJSA-N 1 0 306.454 3.030 50 0 DGAARO Cc1nc(CN2Cc3ccccc3[C@H](n3cccn3)C2)cs1 ZINC000076731826 545737532 /nfs/dbraw/zinc/73/75/32/545737532.db2.gz CYFNILGRURRNQQ-QGZVFWFLSA-N 1 0 310.426 3.253 50 0 DGAARO 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305.349 3.141 50 0 DGAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/c2cccs2)C1 ZINC000095954633 657493713 /nfs/dbraw/zinc/49/37/13/657493713.db2.gz BPJRSIRSQXWTMM-MYSGNRETSA-N 1 0 306.475 3.388 50 0 DGAARO Cc1cccc(CN2CC[C@@H]([N@@H+](C)CC(C)C)CCC2=O)c1 ZINC000014952717 658005391 /nfs/dbraw/zinc/00/53/91/658005391.db2.gz ZREQFPLRBRJTET-SFHVURJKSA-N 1 0 302.462 3.464 50 0 DGAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccncc2)C1 ZINC000019222355 658659034 /nfs/dbraw/zinc/65/90/34/658659034.db2.gz KVKKRKSVWNBJIQ-FQEVSTJZSA-N 1 0 309.457 3.221 50 0 DGAARO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC1CCCC1 ZINC000171127598 659261076 /nfs/dbraw/zinc/26/10/76/659261076.db2.gz MUIFIHLAYNUASI-QGZVFWFLSA-N 1 0 306.837 3.440 50 0 DGAARO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000081361420 662165509 /nfs/dbraw/zinc/16/55/09/662165509.db2.gz GBYLNCLMRJENJA-CQSZACIVSA-N 1 0 300.402 3.237 50 0 DGAARO Cc1ccc(N2CCC([N@H+](C)Cc3cc[nH]n3)CC2)cc1Cl ZINC000952962562 662208486 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CC(C)(C)c1ccc(C(=O)CCC[N@H+]2C[C@@H]3[C@@H](O)C[C@@H]3C2)cc1 ZINC001772708318 1176675170 /nfs/dbraw/zinc/67/51/70/1176675170.db2.gz HGGJMFFOXNJLEG-AYBZRNKSSA-N 1 0 315.457 3.260 50 0 DGAARO O=c1ccc(CC2CC[NH+](Cc3ccc(Cl)o3)CC2)c[nH]1 ZINC001772709901 1176676553 /nfs/dbraw/zinc/67/65/53/1176676553.db2.gz RVLZNMBZVHNRSZ-UHFFFAOYSA-N 1 0 306.793 3.488 50 0 DGAARO Cc1ncc(Cl)c(NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC001772710965 1176676870 /nfs/dbraw/zinc/67/68/70/1176676870.db2.gz UJEGTGZHBSQSGS-ZDUSSCGKSA-N 1 0 320.824 3.356 50 0 DGAARO C[NH+](C)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1 ZINC000033985849 1177343519 /nfs/dbraw/zinc/34/35/19/1177343519.db2.gz HHLRKHUOLBJFQS-UHFFFAOYSA-N 1 0 317.816 3.274 50 0 DGAARO Cc1nc(CNc2nc(N3CCCC3)[nH+]c(C)c2C)cs1 ZINC001506396992 1186221615 /nfs/dbraw/zinc/22/16/15/1186221615.db2.gz KYYVYVKIQJTVTN-UHFFFAOYSA-N 1 0 303.435 3.071 50 0 DGAARO CCc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)nc1 ZINC001506397933 1186221701 /nfs/dbraw/zinc/22/17/01/1186221701.db2.gz PLUFIOWTVWRTPC-IBGZPJMESA-N 1 0 311.429 3.220 50 0 DGAARO CC[C@@H](Nc1cc(C)[nH+]c(N2CCCCC2)n1)c1ccnn1C ZINC001529090278 1187531208 /nfs/dbraw/zinc/53/12/08/1187531208.db2.gz FSXMYARKEQOFHJ-CQSZACIVSA-N 1 0 314.437 3.072 50 0 DGAARO O[C@H]1C[N@@H+](C2CCCCC2)C[C@H]1Cc1ccnc2ccccc12 ZINC001529114631 1187534055 /nfs/dbraw/zinc/53/40/55/1187534055.db2.gz RCOLSBKGDWYNSU-UZLBHIALSA-N 1 0 310.441 3.403 50 0 DGAARO Cc1cccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H]([NH+](C)C)C[C@@H]3C2)c1C ZINC001529145773 1187536488 /nfs/dbraw/zinc/53/64/88/1187536488.db2.gz GZYSIKVJENYRQL-USTZCAOPSA-N 1 0 314.473 3.494 50 0 DGAARO CCCNc1ncc(C[N@@H+]2CCC[C@@]3(CCC[C@H]3OC)C2)cn1 ZINC001704300395 1202519477 /nfs/dbraw/zinc/51/94/77/1202519477.db2.gz STSSMMGXRPXDFM-AEFFLSMTSA-N 1 0 318.465 3.080 50 0 DGAARO Cc1cccc(OCC[N@@H+]2CCC[C@@]3(CCC[C@H]3O)C2)c1C ZINC001704342036 1202521666 /nfs/dbraw/zinc/52/16/66/1202521666.db2.gz CPUQYTAFTCDNHC-MOPGFXCFSA-N 1 0 303.446 3.309 50 0 DGAARO Cc1ncc(Cl)c(N2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC001704336586 1202521795 /nfs/dbraw/zinc/52/17/95/1202521795.db2.gz YINKEYYQQHYVAI-UHFFFAOYSA-N 1 0 322.865 3.212 50 0 DGAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)C1CCC1)CCO2 ZINC000581819995 1083040141 /nfs/dbraw/zinc/04/01/41/1083040141.db2.gz UAOXVGFGYKSTGE-UHFFFAOYSA-N 1 0 316.445 3.050 50 0 DGAARO C(CC1CC[NH+](C2CCC2)CC1)c1noc(C2CCOCC2)n1 ZINC000675024223 1083459332 /nfs/dbraw/zinc/45/93/32/1083459332.db2.gz GONMSJOSRYEXAR-UHFFFAOYSA-N 1 0 319.449 3.161 50 0 DGAARO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1cccnc1N(C)C)CCC2 ZINC000585083582 1084673831 /nfs/dbraw/zinc/67/38/31/1084673831.db2.gz IXWWGHOWECZORV-INIZCTEOSA-N 1 0 313.449 3.092 50 0 DGAARO C[C@H](Cc1ccsc1)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000821816276 1091648707 /nfs/dbraw/zinc/64/87/07/1091648707.db2.gz MZNFXLLATCPACP-CYBMUJFWSA-N 1 0 318.442 3.298 50 0 DGAARO CC(C)[NH+]1CCC(N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000821746020 1091648751 /nfs/dbraw/zinc/64/87/51/1091648751.db2.gz JMOZQXSXEXKEDU-IBGZPJMESA-N 1 0 312.461 3.087 50 0 DGAARO Cc1cccc(N2CCC([NH2+][C@@H](C)CCn3cccn3)CC2)c1 ZINC000821831572 1091651108 /nfs/dbraw/zinc/65/11/08/1091651108.db2.gz UHBLPZMEBLJDBL-KRWDZBQOSA-N 1 0 312.461 3.229 50 0 DGAARO CC[C@@H](C(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[N@H+](C)CC ZINC000822541620 1091662917 /nfs/dbraw/zinc/66/29/17/1091662917.db2.gz NGDCCECZSLVBEI-AWEZNQCLSA-N 1 0 316.367 3.394 50 0 DGAARO CCn1nc(C)cc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000823599015 1091694962 /nfs/dbraw/zinc/69/49/62/1091694962.db2.gz CPUJZJNBCKSVLT-UHFFFAOYSA-N 1 0 312.417 3.060 50 0 DGAARO COc1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1Cn1cccn1 ZINC000824722748 1091725270 /nfs/dbraw/zinc/72/52/70/1091725270.db2.gz JCOVVNSAUSDMRR-HDICACEKSA-N 1 0 323.440 3.338 50 0 DGAARO COc1ccc(C[N@H+](C)Cc2ccc3nonc3c2)cc1F ZINC000824721372 1091725453 /nfs/dbraw/zinc/72/54/53/1091725453.db2.gz MARCORHOAZIUSP-UHFFFAOYSA-N 1 0 301.321 3.003 50 0 DGAARO Cc1nccn1[C@@H](C)Cc1nc(-c2ccc(F)c(F)c2)n[nH]1 ZINC000826601673 1091755238 /nfs/dbraw/zinc/75/52/38/1091755238.db2.gz NPPKPGHGSGNIKF-VIFPVBQESA-N 1 0 303.316 3.059 50 0 DGAARO CC(C)(C)c1cc(-c2ccccc2F)nc(N2CC[C@@H]([NH3+])C2)n1 ZINC000826956403 1091761003 /nfs/dbraw/zinc/76/10/03/1091761003.db2.gz BSTLWTFANPLKNC-GFCCVEGCSA-N 1 0 314.408 3.118 50 0 DGAARO CN(C)c1ccc(NC(=O)C[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000827807188 1091780559 /nfs/dbraw/zinc/78/05/59/1091780559.db2.gz IVRACJRHKAXVBH-ZDUSSCGKSA-N 1 0 309.841 3.219 50 0 DGAARO O=C(N[C@@H]1CCc2ccccc2C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000828166308 1091817353 /nfs/dbraw/zinc/81/73/53/1091817353.db2.gz ACFNNSOPVCABNQ-QGZVFWFLSA-N 1 0 324.424 3.163 50 0 DGAARO OCC[N@H+](Cc1cccc(Cn2cccn2)c1)C1CCCCC1 ZINC000828757314 1091844176 /nfs/dbraw/zinc/84/41/76/1091844176.db2.gz SWLGCRALRVQZFB-UHFFFAOYSA-N 1 0 313.445 3.058 50 0 DGAARO c1cn(-c2ccccc2C[NH2+][C@@H]2CCN(c3ccccc3)C2)cn1 ZINC000829069179 1091861516 /nfs/dbraw/zinc/86/15/16/1091861516.db2.gz AOOHIQIWSONRPB-GOSISDBHSA-N 1 0 318.424 3.241 50 0 DGAARO Cc1c[nH+]c(C)n1CCNC(=O)C1(c2ccccc2)CCCC1 ZINC000575555006 1092049231 /nfs/dbraw/zinc/04/92/31/1092049231.db2.gz JLJBBKIGUMYYIZ-UHFFFAOYSA-N 1 0 311.429 3.128 50 0 DGAARO Cc1c[nH+]c(C)n1C[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000575557807 1092055112 /nfs/dbraw/zinc/05/51/12/1092055112.db2.gz JQJUJDCBZHBGMS-QGZVFWFLSA-N 1 0 303.450 3.319 50 0 DGAARO O=C(c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581788178 1092273108 /nfs/dbraw/zinc/27/31/08/1092273108.db2.gz WWHWTIFXYNQLOB-HNNXBMFYSA-N 1 0 304.409 3.164 50 0 DGAARO Cc1c[nH+]c(C)n1C[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581807550 1092280747 /nfs/dbraw/zinc/28/07/47/1092280747.db2.gz JZYLKQAUOYZQQX-MRXNPFEDSA-N 1 0 303.450 3.319 50 0 DGAARO Cc1coc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)c1C ZINC000585083061 1094973384 /nfs/dbraw/zinc/97/33/84/1094973384.db2.gz LVLQZDOCYAYZKG-KRWDZBQOSA-N 1 0 312.413 3.291 50 0 DGAARO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCc2cccnc2)C1 ZINC000585116929 1095009322 /nfs/dbraw/zinc/00/93/22/1095009322.db2.gz MNDUWOMGDQLTLI-AEFFLSMTSA-N 1 0 317.477 3.031 50 0 DGAARO COCC[C@@H](C)[NH2+]Cc1nc(Cl)ccc1Br ZINC000585118684 1095012749 /nfs/dbraw/zinc/01/27/49/1095012749.db2.gz YEKSORBKXOEROC-MRVPVSSYSA-N 1 0 307.619 3.012 50 0 DGAARO CCOc1cc2c(c(C[NH2+]C3(CCO)CCCC3)c1)O[C@H](C)C2 ZINC000952845488 1096778683 /nfs/dbraw/zinc/77/86/83/1096778683.db2.gz CROZQHRYJRCPOG-CQSZACIVSA-N 1 0 319.445 3.194 50 0 DGAARO OC[C@H]1CCC[N@H+](CCNc2ccc3cc(Cl)ccc3n2)C1 ZINC000952873472 1096784092 /nfs/dbraw/zinc/78/40/92/1096784092.db2.gz XFVCADRSCOISNL-ZDUSSCGKSA-N 1 0 319.836 3.004 50 0 DGAARO CC[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000952882303 1096786315 /nfs/dbraw/zinc/78/63/15/1096786315.db2.gz PHMLNUGMSUHUEH-IEBWSBKVSA-N 1 0 302.462 3.056 50 0 DGAARO Cc1nccn1Cc1ccccc1NC(=O)c1cc(C2CC2)no1 ZINC000952867542 1096787375 /nfs/dbraw/zinc/78/73/75/1096787375.db2.gz OLQVHDBGTPMNKL-UHFFFAOYSA-N 1 0 322.368 3.358 50 0 DGAARO COc1ccc(C[NH2+]C[C@H](C)Oc2ccccn2)cc1Cl ZINC000095472028 185372734 /nfs/dbraw/zinc/37/27/34/185372734.db2.gz BWHTXUCMKWQCDJ-LBPRGKRZSA-N 1 0 306.793 3.301 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1ccn2C(C)C ZINC000095474175 185372877 /nfs/dbraw/zinc/37/28/77/185372877.db2.gz UCZONMSVPMFYQM-OAHLLOKOSA-N 1 0 313.445 3.436 50 0 DGAARO CCC[NH+]1CCC(CC(=O)N(C)[C@H](C)c2cncs2)CC1 ZINC000095500418 185374851 /nfs/dbraw/zinc/37/48/51/185374851.db2.gz XQWSCVJLMYYTNT-CYBMUJFWSA-N 1 0 309.479 3.175 50 0 DGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000095527541 185378330 /nfs/dbraw/zinc/37/83/30/185378330.db2.gz MLJFLXGOUXWVAZ-CYBMUJFWSA-N 1 0 315.339 3.311 50 0 DGAARO C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)C[C@@H]1[NH+](C)C ZINC000078896669 185124743 /nfs/dbraw/zinc/12/47/43/185124743.db2.gz DROJLFJQKLIIQH-DJJJIMSYSA-N 1 0 323.440 3.134 50 0 DGAARO CC[C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096219 185157487 /nfs/dbraw/zinc/15/74/87/185157487.db2.gz KRVYJGXYRVSZTE-HOTGVXAUSA-N 1 0 318.461 3.049 50 0 DGAARO CCCCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096399 185157539 /nfs/dbraw/zinc/15/75/39/185157539.db2.gz OFHQRKBMFQBBLV-INIZCTEOSA-N 1 0 318.461 3.193 50 0 DGAARO CCCCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079096401 185157649 /nfs/dbraw/zinc/15/76/49/185157649.db2.gz OFHQRKBMFQBBLV-MRXNPFEDSA-N 1 0 318.461 3.193 50 0 DGAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)nnn3C)cc1 ZINC000079105527 185158895 /nfs/dbraw/zinc/15/88/95/185158895.db2.gz KJUFAVFZTUHBHJ-GOSISDBHSA-N 1 0 322.412 3.314 50 0 DGAARO FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000278755748 214377842 /nfs/dbraw/zinc/37/78/42/214377842.db2.gz SNRYCJXWRFWILE-VIFPVBQESA-N 1 0 316.352 3.265 50 0 DGAARO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)CCC2 ZINC000090534094 185301405 /nfs/dbraw/zinc/30/14/05/185301405.db2.gz XHLYUMYGRUSXFL-ZWNOBZJWSA-N 1 0 304.463 3.335 50 0 DGAARO C[C@H](CC[C@@H]1CCCO1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000095393607 185352048 /nfs/dbraw/zinc/35/20/48/185352048.db2.gz YPKWTKUVHDVFOP-ZBFHGGJFSA-N 1 0 305.418 3.285 50 0 DGAARO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000095412260 185357687 /nfs/dbraw/zinc/35/76/87/185357687.db2.gz GJIHNXHHEIERHS-UKRRQHHQSA-N 1 0 323.483 3.347 50 0 DGAARO CCCn1nc(C)c(C[NH2+]Cc2cccc(-n3ccnc3)c2)c1C ZINC000095414139 185358448 /nfs/dbraw/zinc/35/84/48/185358448.db2.gz QJPPCOBUKRERQF-UHFFFAOYSA-N 1 0 323.444 3.385 50 0 DGAARO CC[C@H](CC[NH2+]Cc1cnc(C2CCC2)s1)N1CCCC1=O ZINC000095415463 185358829 /nfs/dbraw/zinc/35/88/29/185358829.db2.gz DYIPFZFWCTVHDJ-CQSZACIVSA-N 1 0 321.490 3.291 50 0 DGAARO CCS[C@@H]1CC[C@]1(O)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000095415531 185358859 /nfs/dbraw/zinc/35/88/59/185358859.db2.gz MURDABJJTHXTMO-WBVHZDCISA-N 1 0 320.433 3.110 50 0 DGAARO O=c1ccccn1CCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000095421232 185360408 /nfs/dbraw/zinc/36/04/08/185360408.db2.gz VJXJYVDKRSWYBF-MRXNPFEDSA-N 1 0 314.454 3.455 50 0 DGAARO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000095428444 185362265 /nfs/dbraw/zinc/36/22/65/185362265.db2.gz NFUDUVDGZSWFRK-AWEZNQCLSA-N 1 0 300.368 3.277 50 0 DGAARO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1cc[nH]c1 ZINC000095428867 185362312 /nfs/dbraw/zinc/36/23/12/185362312.db2.gz DYYJYZWURHPCLK-UHFFFAOYSA-N 1 0 301.459 3.484 50 0 DGAARO O[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)c1cccc(Br)c1 ZINC000097002811 185396341 /nfs/dbraw/zinc/39/63/41/185396341.db2.gz PSLKCLXFJFHQAP-IJEWVQPXSA-N 1 0 322.246 3.381 50 0 DGAARO Cc1nc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cs1 ZINC000095422167 185360873 /nfs/dbraw/zinc/36/08/73/185360873.db2.gz LNLWYKMUSDDCEK-ZDUSSCGKSA-N 1 0 316.474 3.162 50 0 DGAARO C[NH+](C)CCn1ccc(N[C@H]2CCSc3ccc(F)cc32)n1 ZINC000095423933 185361200 /nfs/dbraw/zinc/36/12/00/185361200.db2.gz SQWKXFDDFDWUJG-AWEZNQCLSA-N 1 0 320.437 3.233 50 0 DGAARO CC[C@H](C)[N@H+](Cc1cccc(OCC(N)=O)c1)C1CCCC1 ZINC000063845740 432007393 /nfs/dbraw/zinc/00/73/93/432007393.db2.gz GPDZBQWIKPDQJF-AWEZNQCLSA-N 1 0 304.434 3.094 50 0 DGAARO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1nc2ccccc2n1C ZINC000095448907 185368475 /nfs/dbraw/zinc/36/84/75/185368475.db2.gz HSFGKEDTYJPKKN-WFASDCNBSA-N 1 0 315.442 3.237 50 0 DGAARO Cc1cccn2c(C[NH2+][C@H](C)C[C@@H](O)c3cccs3)cnc12 ZINC000095448918 185368572 /nfs/dbraw/zinc/36/85/72/185368572.db2.gz ZNFYZMLMVXJKMT-UKRRQHHQSA-N 1 0 315.442 3.306 50 0 DGAARO C[C@@]1(CCCO)CCC[N@@H+]1CCCc1nc2ccccc2o1 ZINC000095454749 185369746 /nfs/dbraw/zinc/36/97/46/185369746.db2.gz AWIOUDUAJVVFAP-SFHVURJKSA-N 1 0 302.418 3.387 50 0 DGAARO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@@H]1C ZINC000097113403 185412090 /nfs/dbraw/zinc/41/20/90/185412090.db2.gz AXABCHIFBUYAHV-SOLBZPMBSA-N 1 0 301.478 3.460 50 0 DGAARO Cc1cc(F)ccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000097164625 185418437 /nfs/dbraw/zinc/41/84/37/185418437.db2.gz NYKMSEWCPHSRLH-OAHLLOKOSA-N 1 0 319.424 3.474 50 0 DGAARO Cc1csc(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000225567353 201731242 /nfs/dbraw/zinc/73/12/42/201731242.db2.gz DDURZXLPHYKYBC-CQSZACIVSA-N 1 0 324.515 3.004 50 0 DGAARO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069699501 190804557 /nfs/dbraw/zinc/80/45/57/190804557.db2.gz LPLUCDBFSCNLDL-OALUTQOASA-N 1 0 311.425 3.224 50 0 DGAARO C[C@H]([C@H](C)[NH2+]Cc1cc(-c2cccs2)on1)n1cccn1 ZINC000069951936 190843254 /nfs/dbraw/zinc/84/32/54/190843254.db2.gz GZXQZTSIHYYUKQ-NWDGAFQWSA-N 1 0 302.403 3.339 50 0 DGAARO CCCc1nnc2sc(CC3CC(C)(C)[NH2+]C(C)(C)C3)nn12 ZINC000071759751 191026341 /nfs/dbraw/zinc/02/63/41/191026341.db2.gz UELTXYNNHTZLFC-UHFFFAOYSA-N 1 0 321.494 3.238 50 0 DGAARO OCc1ccnc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000071751680 191023023 /nfs/dbraw/zinc/02/30/23/191023023.db2.gz WDCWUTHTTOLPTD-KRWDZBQOSA-N 1 0 312.413 3.021 50 0 DGAARO C[C@H](c1cccc(-c2nccn2CCc2cn[nH]c2)c1)[NH+](C)C ZINC000071765169 191028245 /nfs/dbraw/zinc/02/82/45/191028245.db2.gz UKWHNKURDOAANN-CQSZACIVSA-N 1 0 309.417 3.139 50 0 DGAARO C[NH+](C)C1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000071846622 191030700 /nfs/dbraw/zinc/03/07/00/191030700.db2.gz HANSHHAPZMPWTC-UHFFFAOYSA-N 1 0 321.471 3.038 50 0 DGAARO CC[C@H]1CN(Cc2c(F)c(F)ccc2OC)CC[N@@H+]1C(C)C ZINC000072129558 191043561 /nfs/dbraw/zinc/04/35/61/191043561.db2.gz MRRWUMWQAUSDCC-ZDUSSCGKSA-N 1 0 312.404 3.278 50 0 DGAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc3occc3c2)CC1 ZINC000072132977 191044787 /nfs/dbraw/zinc/04/47/87/191044787.db2.gz VYSLNWDGWVWLKI-OAHLLOKOSA-N 1 0 301.390 3.381 50 0 DGAARO CCc1cnc(C)nc1N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000072143941 191050594 /nfs/dbraw/zinc/05/05/94/191050594.db2.gz VWCWAUZOXXHBDW-LJQANCHMSA-N 1 0 324.472 3.448 50 0 DGAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3c(cccc3Cl)[nH]2)CC1 ZINC000072146936 191052453 /nfs/dbraw/zinc/05/24/53/191052453.db2.gz DYBYZEHALMHEJT-GFCCVEGCSA-N 1 0 319.836 3.378 50 0 DGAARO Fc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCc3ccccn3)nc2c1 ZINC000072154836 191058799 /nfs/dbraw/zinc/05/87/99/191058799.db2.gz OEDPVZXAVOQVAR-KRWDZBQOSA-N 1 0 310.376 3.477 50 0 DGAARO Cc1cc(CNC(=O)c2cccc([C@H]3CC[NH2+]C3)c2)ccc1F ZINC000072158341 191060997 /nfs/dbraw/zinc/06/09/97/191060997.db2.gz OIKQFRCIHMJKOO-KRWDZBQOSA-N 1 0 312.388 3.141 50 0 DGAARO c1cc([C@@H]2CCC[N@@H+](CCCc3nc4ccccc4o3)C2)n[nH]1 ZINC000072272648 191095196 /nfs/dbraw/zinc/09/51/96/191095196.db2.gz MHHFXUQUQHYFOX-CQSZACIVSA-N 1 0 310.401 3.363 50 0 DGAARO Cc1nscc1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000179686200 186204919 /nfs/dbraw/zinc/20/49/19/186204919.db2.gz FUYZCGIETWTHKI-GFCCVEGCSA-N 1 0 317.458 3.311 50 0 DGAARO C[C@H](C(=O)N1CCC[C@@H](c2nccs2)C1)[NH+]1CCCCCC1 ZINC000072300314 191113603 /nfs/dbraw/zinc/11/36/03/191113603.db2.gz AOTPZTFIZZQXID-HUUCEWRRSA-N 1 0 321.490 3.114 50 0 DGAARO CCC1(O)CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000225577742 186279795 /nfs/dbraw/zinc/27/97/95/186279795.db2.gz XVHUWAMFUDMWIL-UHFFFAOYSA-N 1 0 305.466 3.205 50 0 DGAARO CSC[C@](C)(O)C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000225604480 186282400 /nfs/dbraw/zinc/28/24/00/186282400.db2.gz DQGNGCGNFMNMPE-SMDDNHRTSA-N 1 0 321.408 3.340 50 0 DGAARO Cc1ccc(OCCCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000237463144 186293508 /nfs/dbraw/zinc/29/35/08/186293508.db2.gz KAUHGHHILIDJOQ-DLBZAZTESA-N 1 0 318.461 3.048 50 0 DGAARO CSCC(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000171999551 198022499 /nfs/dbraw/zinc/02/24/99/198022499.db2.gz QNUFXFAUDHSWBK-UHFFFAOYSA-N 1 0 324.515 3.199 50 0 DGAARO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccccc2OCc2ccccc2)C1 ZINC000072407473 191152969 /nfs/dbraw/zinc/15/29/69/191152969.db2.gz NGOJQPWLTFPHFY-JKSUJKDBSA-N 1 0 310.397 3.332 50 0 DGAARO CC[NH+](CC)CCNc1ncnc2ccc(Br)cc21 ZINC000000084960 180687859 /nfs/dbraw/zinc/68/78/59/180687859.db2.gz FZRWLBQSLUPVCE-UHFFFAOYSA-N 1 0 323.238 3.146 50 0 DGAARO CC(C)c1nccc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)n1 ZINC000072431187 191162777 /nfs/dbraw/zinc/16/27/77/191162777.db2.gz HCKKPNPBODELSR-UHFFFAOYSA-N 1 0 321.428 3.418 50 0 DGAARO COc1ccc(F)c(F)c1CN1CCCC[C@@H]1CC[NH+](C)C ZINC000072432562 191164056 /nfs/dbraw/zinc/16/40/56/191164056.db2.gz ZWVLEVPNTSIJKT-CYBMUJFWSA-N 1 0 312.404 3.280 50 0 DGAARO Cc1cc2nc(C(C)C)cc(NCC34CCC[NH+]3CCC4)n2n1 ZINC000072463101 191173513 /nfs/dbraw/zinc/17/35/13/191173513.db2.gz WGEFQVOEHAFYLE-UHFFFAOYSA-N 1 0 313.449 3.201 50 0 DGAARO c1cc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cs1 ZINC000072476740 191178593 /nfs/dbraw/zinc/17/85/93/191178593.db2.gz IYZDJFHDJYXVBZ-IBGZPJMESA-N 1 0 312.482 3.423 50 0 DGAARO CCOC(=O)N1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000000757652 180832204 /nfs/dbraw/zinc/83/22/04/180832204.db2.gz LPIPVARAXLKEAP-UHFFFAOYSA-N 1 0 310.825 3.093 50 0 DGAARO c1ccc2ncc(-c3ccccc3CN3CC[NH2+]CC3)cc2c1 ZINC000067675334 432034637 /nfs/dbraw/zinc/03/46/37/432034637.db2.gz PLSOCGFJYUEJBF-UHFFFAOYSA-N 1 0 303.409 3.307 50 0 DGAARO COCCC[NH2+]CCOCCOc1cc(C)cc(C(C)C)c1 ZINC000003001927 180976199 /nfs/dbraw/zinc/97/61/99/180976199.db2.gz GAMVPWRZEVOHJZ-UHFFFAOYSA-N 1 0 309.450 3.140 50 0 DGAARO CCCC[N@H+](C)CCCNC(=O)CSCc1ccc(C)cc1 ZINC000003005893 180976790 /nfs/dbraw/zinc/97/67/90/180976790.db2.gz IIEZHDAMYRYFJN-UHFFFAOYSA-N 1 0 322.518 3.466 50 0 DGAARO CC(C)c1nnc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)o1 ZINC000107584885 432034932 /nfs/dbraw/zinc/03/49/32/432034932.db2.gz REBLMNPNYVNPHD-JKSUJKDBSA-N 1 0 315.417 3.281 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000003318019 181004381 /nfs/dbraw/zinc/00/43/81/181004381.db2.gz ZRDUFXALZTZLEF-LLVKDONJSA-N 1 0 315.845 3.250 50 0 DGAARO COc1cccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000004028167 181064181 /nfs/dbraw/zinc/06/41/81/181064181.db2.gz OTJMFCGEWMTQCE-DOTOQJQBSA-N 1 0 303.402 3.117 50 0 biogenic DGAARO O[C@H](C[NH2+]Cc1ccc(F)cc1)CSc1ccc(F)cc1 ZINC000004073046 181069846 /nfs/dbraw/zinc/06/98/46/181069846.db2.gz OHUVERZPCAUNML-OAHLLOKOSA-N 1 0 309.381 3.208 50 0 DGAARO CC(C)C[C@H]1C[N@H+](Cc2nc3ccccc3[nH]2)CC[C@@]1(C)O ZINC000067725679 432038306 /nfs/dbraw/zinc/03/83/06/432038306.db2.gz FIHZJRRVYROXDT-KBXCAEBGSA-N 1 0 301.434 3.182 50 0 DGAARO CC(C)(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000067742124 432038167 /nfs/dbraw/zinc/03/81/67/432038167.db2.gz 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/nfs/dbraw/zinc/12/39/82/181123982.db2.gz OAJPMCLXLWDNEP-UHFFFAOYSA-N 1 0 318.461 3.166 50 0 DGAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCCC1 ZINC000004746169 181146667 /nfs/dbraw/zinc/14/66/67/181146667.db2.gz MAWQQTOCGFMNML-HNNXBMFYSA-N 1 0 306.837 3.174 50 0 DGAARO CCCC1(C[NH2+]C2CCN(C(=O)c3cccnc3)CC2)CCC1 ZINC000067819850 432042067 /nfs/dbraw/zinc/04/20/67/432042067.db2.gz KCHXBZWJLJMLBB-UHFFFAOYSA-N 1 0 315.461 3.246 50 0 DGAARO Cc1ccc2[nH]c([C@@H](Nc3cc(C[NH3+])nc(C)n3)C(C)C)nc2c1 ZINC000067842632 432042690 /nfs/dbraw/zinc/04/26/90/432042690.db2.gz GXDXVZNNDYILNU-KRWDZBQOSA-N 1 0 324.432 3.238 50 0 DGAARO CC(C)=CC(=O)NCC[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000067821164 432042555 /nfs/dbraw/zinc/04/25/55/432042555.db2.gz HFXQQNBKOMFXAZ-CYBMUJFWSA-N 1 0 306.372 3.123 50 0 DGAARO C[N@H+](Cc1ccoc1)Cc1cc2cc3c(cc2[nH]c1=O)CCC3 ZINC000067818955 432042895 /nfs/dbraw/zinc/04/28/95/432042895.db2.gz XIPMPGKTASVSRN-UHFFFAOYSA-N 1 0 308.381 3.242 50 0 DGAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](CC1CCC1)C2 ZINC000067847290 432043386 /nfs/dbraw/zinc/04/33/86/432043386.db2.gz GCFGDUMMURVGDY-UHFFFAOYSA-N 1 0 310.397 3.449 50 0 DGAARO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1OCC(C)C ZINC000004853006 181163078 /nfs/dbraw/zinc/16/30/78/181163078.db2.gz IYQPZYPKHSGKRQ-CQSZACIVSA-N 1 0 320.433 3.010 50 0 DGAARO Cn1cc(C2=CC[N@H+](CCc3c[nH]c4ccccc34)CC2)cn1 ZINC000067868288 432044329 /nfs/dbraw/zinc/04/43/29/432044329.db2.gz SHPRSEFKJMDNOX-UHFFFAOYSA-N 1 0 306.413 3.233 50 0 DGAARO CSc1ccc(-c2nc(CN3CC[C@@H](C[NH3+])C3)c(C)o2)cc1 ZINC000067884162 432045480 /nfs/dbraw/zinc/04/54/80/432045480.db2.gz FPGRTFFIMRSRIA-ZDUSSCGKSA-N 1 0 317.458 3.153 50 0 DGAARO C[NH2+]CCN(C)Cc1nc(-c2ccc(SC)cc2)oc1C ZINC000067934968 432046285 /nfs/dbraw/zinc/04/62/85/432046285.db2.gz JMEFTHVDTFYYRD-UHFFFAOYSA-N 1 0 305.447 3.023 50 0 DGAARO c1ncc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)[nH]1 ZINC000067956274 432047946 /nfs/dbraw/zinc/04/79/46/432047946.db2.gz BSHVSNCILRKVJL-OAHLLOKOSA-N 1 0 307.401 3.179 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(/C)c2cccc(Cl)c2)C1 ZINC000237193049 202184957 /nfs/dbraw/zinc/18/49/57/202184957.db2.gz XTZFDHSACVVAMO-XXYUJHKVSA-N 1 0 306.837 3.201 50 0 DGAARO [NH3+]C[C@H]1CCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000178582725 198891527 /nfs/dbraw/zinc/89/15/27/198891527.db2.gz OMZVEQSEKCTNRQ-SECBINFHSA-N 1 0 321.273 3.185 50 0 DGAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)on1 ZINC000179371354 199023136 /nfs/dbraw/zinc/02/31/36/199023136.db2.gz NGDWPMZZRSYLBP-QWRGUYRKSA-N 1 0 307.419 3.339 50 0 DGAARO Cc1ccc(F)cc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000180215134 199131633 /nfs/dbraw/zinc/13/16/33/199131633.db2.gz KDXAPMGCGLVAHQ-UHFFFAOYSA-N 1 0 304.409 3.111 50 0 DGAARO COc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000237276946 202214939 /nfs/dbraw/zinc/21/49/39/202214939.db2.gz MUKXKYAHPFVQNE-CYBMUJFWSA-N 1 0 312.369 3.036 50 0 DGAARO C[C@H]1C[C@@H](Nc2ncnc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000170661427 432075590 /nfs/dbraw/zinc/07/55/90/432075590.db2.gz CYOWQJRTKVTHRN-DZGCQCFKSA-N 1 0 307.401 3.033 50 0 DGAARO CC(C)[N@H+](CCc1nccs1)Cc1ccc2c[nH]nc2c1 ZINC000180025187 432076385 /nfs/dbraw/zinc/07/63/85/432076385.db2.gz FKHXHLKFPPLAKP-UHFFFAOYSA-N 1 0 300.431 3.473 50 0 DGAARO COC(=O)N1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000095420829 291183090 /nfs/dbraw/zinc/18/30/90/291183090.db2.gz AYAJCXGTFNIMLW-KBPBESRZSA-N 1 0 320.433 3.008 50 0 DGAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000089657571 192836317 /nfs/dbraw/zinc/83/63/17/192836317.db2.gz LKLWLNLTMKPMEO-SUMWQHHRSA-N 1 0 300.402 3.088 50 0 DGAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cncn1C ZINC000237522765 202270806 /nfs/dbraw/zinc/27/08/06/202270806.db2.gz PUDAJEIRZMYQDA-INIZCTEOSA-N 1 0 312.461 3.084 50 0 DGAARO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000188158114 200202645 /nfs/dbraw/zinc/20/26/45/200202645.db2.gz ZMBNVSAEEDDTAS-NEPJUHHUSA-N 1 0 311.472 3.375 50 0 DGAARO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)sc1-c1ccc(F)cc1 ZINC000237706021 202333850 /nfs/dbraw/zinc/33/38/50/202333850.db2.gz BYSOEVIZMMFPAJ-CYBMUJFWSA-N 1 0 304.390 3.036 50 0 DGAARO [NH3+]C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000237834383 202365823 /nfs/dbraw/zinc/36/58/23/202365823.db2.gz SQKUSNQSNILNNT-QWHCGFSZSA-N 1 0 313.228 3.047 50 0 DGAARO Clc1ccc(N2CC[C@H]([NH2+]Cc3ncc[nH]3)C2)c(Cl)c1 ZINC000188935160 200324435 /nfs/dbraw/zinc/32/44/35/200324435.db2.gz YMQWNKADEBLXPL-NSHDSACASA-N 1 0 311.216 3.085 50 0 DGAARO Cc1ccc2cc(C[NH2+][C@@H]3CCN(c4ccccn4)C3)ccc2n1 ZINC000189407136 200396053 /nfs/dbraw/zinc/39/60/53/200396053.db2.gz JRDFVTDQKFDUDV-GOSISDBHSA-N 1 0 318.424 3.307 50 0 DGAARO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2scnc2c1 ZINC000281242238 216178942 /nfs/dbraw/zinc/17/89/42/216178942.db2.gz CXWLMGZHXOSYEM-UHFFFAOYSA-N 1 0 318.446 3.246 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1cccc(OC(F)(F)F)c1 ZINC000193529896 201069500 /nfs/dbraw/zinc/06/95/00/201069500.db2.gz JZMLSTUMLYDOPJ-SNVBAGLBSA-N 1 0 311.307 3.413 50 0 DGAARO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccc(-n2ccnn2)cc1 ZINC000194938310 201313412 /nfs/dbraw/zinc/31/34/12/201313412.db2.gz UQQAUDWSBUVHQU-ZIAGYGMSSA-N 1 0 308.385 3.385 50 0 DGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000006508888 181347663 /nfs/dbraw/zinc/34/76/63/181347663.db2.gz RDDTULSDIQVWRO-CQSZACIVSA-N 1 0 300.402 3.251 50 0 DGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCCOc2ccc(C)cc2)C1 ZINC000006703108 181374104 /nfs/dbraw/zinc/37/41/04/181374104.db2.gz QZMUSPIJQZUMEU-KRWDZBQOSA-N 1 0 319.445 3.429 50 0 DGAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000006703643 181374312 /nfs/dbraw/zinc/37/43/12/181374312.db2.gz DHJDNZCYCISOHV-UHFFFAOYSA-N 1 0 305.349 3.141 50 0 DGAARO CCOC(=O)C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000006703063 181374360 /nfs/dbraw/zinc/37/43/60/181374360.db2.gz GFJWNWKKMOQRSU-UHFFFAOYSA-N 1 0 305.418 3.121 50 0 DGAARO Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2CC[C@H](C[N@H+]2C)C1 ZINC000091289197 193031033 /nfs/dbraw/zinc/03/10/33/193031033.db2.gz SDABKTCSKLJTBT-TZMCWYRMSA-N 1 0 307.825 3.206 50 0 DGAARO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@@]1(O)C1CCOCC1 ZINC000091390682 193049610 /nfs/dbraw/zinc/04/96/10/193049610.db2.gz KKVBXZPYTPEMCK-KDOFPFPSSA-N 1 0 323.864 3.340 50 0 DGAARO CN(Cc1cccc2cnccc21)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000091518876 193068265 /nfs/dbraw/zinc/06/82/65/193068265.db2.gz SOOVCTRAFNZXNL-SFHVURJKSA-N 1 0 311.429 3.068 50 0 DGAARO C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@]1(C)O ZINC000091536215 193070670 /nfs/dbraw/zinc/07/06/70/193070670.db2.gz WRKBSHQXOZPFGU-DYVFJYSZSA-N 1 0 319.836 3.119 50 0 DGAARO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000091548957 193072388 /nfs/dbraw/zinc/07/23/88/193072388.db2.gz DFAGGRNUCBTZOP-QWHCGFSZSA-N 1 0 320.483 3.466 50 0 DGAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)o1 ZINC000091713778 193096364 /nfs/dbraw/zinc/09/63/64/193096364.db2.gz YVZLFWUGMAUVLA-GOEBONIOSA-N 1 0 317.458 3.141 50 0 DGAARO c1nc2cnccn2c1C[N@H+]1CCC[C@@H](COc2ccccc2)C1 ZINC000093364665 193239627 /nfs/dbraw/zinc/23/96/27/193239627.db2.gz FXAJLSNAGSTQID-MRXNPFEDSA-N 1 0 322.412 3.020 50 0 DGAARO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000093614011 193274039 /nfs/dbraw/zinc/27/40/39/193274039.db2.gz CIDNOUVQFWYPEE-GVKUHWBJSA-N 1 0 319.420 3.091 50 0 DGAARO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@H]1CCOC1 ZINC000093840415 193316017 /nfs/dbraw/zinc/31/60/17/193316017.db2.gz MDFJUQFNDLTTSJ-QGZVFWFLSA-N 1 0 312.413 3.129 50 0 DGAARO O=C(CCCc1cccs1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264660926 204061446 /nfs/dbraw/zinc/06/14/46/204061446.db2.gz YRAQHERZUKHVJY-HNNXBMFYSA-N 1 0 306.475 3.158 50 0 DGAARO CC[C@@H](CCO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000096496279 193671509 /nfs/dbraw/zinc/67/15/09/193671509.db2.gz MUWJFGNWSGYBLT-LBPRGKRZSA-N 1 0 323.234 3.248 50 0 DGAARO CSCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011880786 181714159 /nfs/dbraw/zinc/71/41/59/181714159.db2.gz SZTJFFHMSMMSAY-MRXNPFEDSA-N 1 0 324.465 3.050 50 0 DGAARO Cc1csc2nc(C[N@H+](C)Cc3ccc(C)cc3)cc(=O)n12 ZINC000016587591 182051301 /nfs/dbraw/zinc/05/13/01/182051301.db2.gz GXBHMBVDUPYLED-UHFFFAOYSA-N 1 0 313.426 3.005 50 0 DGAARO CSc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599117 182051941 /nfs/dbraw/zinc/05/19/41/182051941.db2.gz IMTSQMKLESKDHZ-INIZCTEOSA-N 1 0 314.454 3.441 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)CC1 ZINC000016602509 182052043 /nfs/dbraw/zinc/05/20/43/182052043.db2.gz QINBVDOWPDPWIN-MRXNPFEDSA-N 1 0 318.461 3.061 50 0 DGAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000016695470 182058074 /nfs/dbraw/zinc/05/80/74/182058074.db2.gz PMZMMIGSJRREAY-OAHLLOKOSA-N 1 0 316.445 3.353 50 0 DGAARO Cc1ccc([C@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1 ZINC000016944322 182064987 /nfs/dbraw/zinc/06/49/87/182064987.db2.gz VUDWNMXTYXWQKA-OAQYLSRUSA-N 1 0 317.412 3.150 50 0 DGAARO COc1ccccc1CN1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000019359708 182119041 /nfs/dbraw/zinc/11/90/41/182119041.db2.gz IMJWQTVSBYSWEY-FUHWJXTLSA-N 1 0 302.462 3.392 50 0 DGAARO Fc1cccc(OC2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000019300745 182114585 /nfs/dbraw/zinc/11/45/85/182114585.db2.gz MWXFUEFSAKLRRP-UHFFFAOYSA-N 1 0 300.377 3.307 50 0 DGAARO COc1cc(C[NH2+]CCc2ccccc2F)cc(OC)c1OC ZINC000019720753 182138213 /nfs/dbraw/zinc/13/82/13/182138213.db2.gz HEZVSFDFTHZUEB-UHFFFAOYSA-N 1 0 319.376 3.184 50 0 DGAARO COc1ccc(OC)c(C[NH2+]CCc2ccccc2OC)c1 ZINC000019720861 182138217 /nfs/dbraw/zinc/13/82/17/182138217.db2.gz VCZHXDBHLHHDLF-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO OCC[C@@H]1CN(Cc2ccccc2Cl)CC[N@@H+]1C1CCCC1 ZINC000019839516 182155677 /nfs/dbraw/zinc/15/56/77/182155677.db2.gz SCIRZORKABSFBK-QGZVFWFLSA-N 1 0 322.880 3.151 50 0 DGAARO Cc1cc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)n(C)n1 ZINC000019809956 182152975 /nfs/dbraw/zinc/15/29/75/182152975.db2.gz OXJXSJYXPGZONB-UHFFFAOYSA-N 1 0 301.409 3.322 50 0 DGAARO CCOc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)[NH2+]CC2 ZINC000019848062 182156804 /nfs/dbraw/zinc/15/68/04/182156804.db2.gz ZUYPTSPXKIXCHL-SFHVURJKSA-N 1 0 301.361 3.468 50 0 biogenic DGAARO O[C@H](C[NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000019872088 182158885 /nfs/dbraw/zinc/15/88/85/182158885.db2.gz GEBVOHRPXOMGGY-OAHLLOKOSA-N 1 0 306.203 3.272 50 0 DGAARO CC[NH+]1CCN(CCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000020390277 182213898 /nfs/dbraw/zinc/21/38/98/182213898.db2.gz ZAPFRUUMVFUUAX-UHFFFAOYSA-N 1 0 317.260 3.400 50 0 DGAARO c1ccc(COc2ccccc2C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000020476899 182221416 /nfs/dbraw/zinc/22/14/16/182221416.db2.gz SJNCTBQRRYKWRO-HXUWFJFHSA-N 1 0 322.452 3.449 50 0 DGAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC000020562437 182232170 /nfs/dbraw/zinc/23/21/70/182232170.db2.gz UBNRJVPAMHTBLC-HNNXBMFYSA-N 1 0 312.461 3.300 50 0 DGAARO COc1cc(C[NH2+][C@@H]2COc3ccccc3C2)cc(Cl)c1O ZINC000020515096 182226870 /nfs/dbraw/zinc/22/68/70/182226870.db2.gz DOGPIVZKOIVNIL-ZDUSSCGKSA-N 1 0 319.788 3.148 50 0 DGAARO OCC[C@@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1C1CCCCC1 ZINC000020537424 182228635 /nfs/dbraw/zinc/22/86/35/182228635.db2.gz JOSJJPDBTOEJJQ-LJQANCHMSA-N 1 0 320.452 3.027 50 0 DGAARO CC(C)[C@@H](CC[NH2+]CCN1CCOCC1)c1ccc(Cl)cc1 ZINC000020590732 182235539 /nfs/dbraw/zinc/23/55/39/182235539.db2.gz MDTPLFLJCZRVKH-GOSISDBHSA-N 1 0 324.896 3.392 50 0 DGAARO Cc1cccc(Cl)c1OCC[NH2+]C1CSCCSC1 ZINC000020586821 182235858 /nfs/dbraw/zinc/23/58/58/182235858.db2.gz HOUYRYKKHQSDDZ-UHFFFAOYSA-N 1 0 317.907 3.465 50 0 DGAARO C[N@H+](C[C@H]1CCCCN1Cc1ccccc1)C1CCOCC1 ZINC000020598693 182236573 /nfs/dbraw/zinc/23/65/73/182236573.db2.gz QSPMGUMOSSHQEA-LJQANCHMSA-N 1 0 302.462 3.152 50 0 DGAARO Cc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020784766 182247491 /nfs/dbraw/zinc/24/74/91/182247491.db2.gz JONSTBSAEDJNJR-NRFANRHFSA-N 1 0 324.468 3.064 50 0 DGAARO C[NH+](C)CCCn1cnc2scc(-c3ccccc3)c2c1=O ZINC000021790153 182288982 /nfs/dbraw/zinc/28/89/82/182288982.db2.gz QZMSBXDTFCINDG-UHFFFAOYSA-N 1 0 313.426 3.077 50 0 DGAARO COc1ccc([C@H](c2ccc(F)cc2)N2CCC[NH2+]CC2)cc1 ZINC000022099164 182309409 /nfs/dbraw/zinc/30/94/09/182309409.db2.gz VQUTTWJGJYZNEH-IBGZPJMESA-N 1 0 314.404 3.219 50 0 DGAARO O=C(NCCC[NH2+]Cc1ccccc1)c1cccc2cccnc21 ZINC000022501015 182323554 /nfs/dbraw/zinc/32/35/54/182323554.db2.gz GEOPOPLODRJAOW-UHFFFAOYSA-N 1 0 319.408 3.145 50 0 DGAARO COc1cc(C[NH2+][C@H](C)c2ccc(C)o2)cc2c1OCCO2 ZINC000022794413 182334683 /nfs/dbraw/zinc/33/46/83/182334683.db2.gz SBCNWYOGSFYOTK-GFCCVEGCSA-N 1 0 303.358 3.219 50 0 DGAARO CC[NH+]1CCN(Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000022877415 182339274 /nfs/dbraw/zinc/33/92/74/182339274.db2.gz JDVUJPMWVVJING-UHFFFAOYSA-N 1 0 316.474 3.333 50 0 DGAARO c1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000023250846 182354480 /nfs/dbraw/zinc/35/44/80/182354480.db2.gz XVRDCLDBSCZVOA-UHFFFAOYSA-N 1 0 304.397 3.003 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000023133411 182349854 /nfs/dbraw/zinc/34/98/54/182349854.db2.gz OOMJFMXGJZTDBJ-ZDUSSCGKSA-N 1 0 321.446 3.201 50 0 DGAARO OCC[C@@H]1C[N@@H+](C2CCCCC2)CCN1Cc1ccc(F)cc1 ZINC000023360805 182357868 /nfs/dbraw/zinc/35/78/68/182357868.db2.gz SHGPNRRTUNCQBF-LJQANCHMSA-N 1 0 320.452 3.027 50 0 DGAARO Cc1nn(C(C)C)cc1C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000495336294 246259104 /nfs/dbraw/zinc/25/91/04/246259104.db2.gz LCFUCBWGKUPRHS-UHFFFAOYSA-N 1 0 324.469 3.165 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1ccccn1 ZINC000023675454 182365997 /nfs/dbraw/zinc/36/59/97/182365997.db2.gz MYVLQGOAUNKBJF-CRAIPNDOSA-N 1 0 322.408 3.325 50 0 DGAARO CCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000032616942 182650890 /nfs/dbraw/zinc/65/08/90/182650890.db2.gz QYJPPSQLTAGLLC-UHFFFAOYSA-N 1 0 323.400 3.344 50 0 DGAARO CC[NH+](CC)CCNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000002466113 284628206 /nfs/dbraw/zinc/62/82/06/284628206.db2.gz HNYKWPJMTJNUCH-AFGAAMFOSA-N 1 0 306.494 3.441 50 0 DGAARO CCCCOc1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000038573018 183002917 /nfs/dbraw/zinc/00/29/17/183002917.db2.gz VKYIJSXEKFKBBL-UHFFFAOYSA-N 1 0 319.449 3.329 50 0 DGAARO O=C(C[C@@H]1C=CCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000039984936 183026458 /nfs/dbraw/zinc/02/64/58/183026458.db2.gz MHIMPZZGYMWWHV-CVEARBPZSA-N 1 0 302.418 3.279 50 0 DGAARO CCC(CC)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040067743 183030910 /nfs/dbraw/zinc/03/09/10/183030910.db2.gz QXGXRZXHLKOLNQ-UHFFFAOYSA-N 1 0 317.477 3.481 50 0 DGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(F)cc2)o1 ZINC000040152247 183040274 /nfs/dbraw/zinc/04/02/74/183040274.db2.gz JFTXUZJQOZGGKZ-UHFFFAOYSA-N 1 0 319.380 3.323 50 0 DGAARO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)C2CCCCCC2)c1 ZINC000040477562 183076039 /nfs/dbraw/zinc/07/60/39/183076039.db2.gz XJPCCMOVXQNRRS-UHFFFAOYSA-N 1 0 317.433 3.238 50 0 DGAARO CCc1cccc(C)c1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000040525492 183092269 /nfs/dbraw/zinc/09/22/69/183092269.db2.gz XTFFNHGHARTQOS-UHFFFAOYSA-N 1 0 301.434 3.306 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000041066847 183161702 /nfs/dbraw/zinc/16/17/02/183161702.db2.gz PWZZYMJKCJAHEZ-JTQLQIEISA-N 1 0 301.217 3.065 50 0 DGAARO CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccc(F)cc2)CC1 ZINC000041542058 183201088 /nfs/dbraw/zinc/20/10/88/183201088.db2.gz ISDMYFCKXDRXJC-UHFFFAOYSA-N 1 0 308.397 3.053 50 0 DGAARO COc1cccc([C@H](CNC(=O)/C=C\c2ccccc2)[NH+](C)C)c1 ZINC000041800111 183220895 /nfs/dbraw/zinc/22/08/95/183220895.db2.gz GTXZTJKYPIHWTQ-HSNDNRACSA-N 1 0 324.424 3.128 50 0 DGAARO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000041947199 183226732 /nfs/dbraw/zinc/22/67/32/183226732.db2.gz BQUWGVNEDWMHRX-UHFFFAOYSA-N 1 0 315.461 3.309 50 0 DGAARO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000042202998 183241851 /nfs/dbraw/zinc/24/18/51/183241851.db2.gz GJGWFWJXJYXODJ-GFCCVEGCSA-N 1 0 315.369 3.283 50 0 DGAARO CC1CC[NH+](CCCCNC(=O)NCc2ccc(F)cc2)CC1 ZINC000043026089 183331181 /nfs/dbraw/zinc/33/11/81/183331181.db2.gz DDZPATALQFEIDC-UHFFFAOYSA-N 1 0 321.440 3.137 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccn1 ZINC000043136982 183340576 /nfs/dbraw/zinc/34/05/76/183340576.db2.gz UQCAWLRWJPQMAB-AWEZNQCLSA-N 1 0 314.389 3.023 50 0 DGAARO Cc1ccccc1CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047416447 183590915 /nfs/dbraw/zinc/59/09/15/183590915.db2.gz OWXWYTWJOMLZDQ-HOTGVXAUSA-N 1 0 302.462 3.022 50 0 DGAARO C[C@H](CNC(=O)c1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000106078720 194184634 /nfs/dbraw/zinc/18/46/34/194184634.db2.gz VBTKLWXJTQZEFS-VXGBXAGGSA-N 1 0 312.816 3.329 50 0 DGAARO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2c(c1)CCCC2 ZINC000049590361 183744703 /nfs/dbraw/zinc/74/47/03/183744703.db2.gz PNLBFGDBGWVKLS-AWEZNQCLSA-N 1 0 312.413 3.125 50 0 DGAARO O=C(CCC1CCCC1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000049949255 183764935 /nfs/dbraw/zinc/76/49/35/183764935.db2.gz ZOININOYIASADC-SFHVURJKSA-N 1 0 304.478 3.457 50 0 DGAARO O=C1NC2(CCCCCCC2)C(=O)N1C[NH+]1CCCCCCC1 ZINC000056552744 184015586 /nfs/dbraw/zinc/01/55/86/184015586.db2.gz LVNSWZRLHNWRMC-UHFFFAOYSA-N 1 0 321.465 3.245 50 0 DGAARO CCOc1ccc(C[NH2+]C[C@@H](O)c2cccc(O)c2)cc1Cl ZINC000057354894 184035204 /nfs/dbraw/zinc/03/52/04/184035204.db2.gz XZVKAMIMITVIMB-MRXNPFEDSA-N 1 0 321.804 3.268 50 0 DGAARO CN(C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000058029106 184070005 /nfs/dbraw/zinc/07/00/05/184070005.db2.gz RUXOXXNXNWFYGW-IBGZPJMESA-N 1 0 308.425 3.357 50 0 DGAARO COc1ccc(C)cc1NC(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000058170559 184083926 /nfs/dbraw/zinc/08/39/26/184083926.db2.gz MUDGHYXNCBIPKR-UHFFFAOYSA-N 1 0 318.804 3.385 50 0 DGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC=CCC1 ZINC000058195773 184086356 /nfs/dbraw/zinc/08/63/56/184086356.db2.gz TUADSHGSRJLZLJ-MOPGFXCFSA-N 1 0 312.457 3.371 50 0 DGAARO Cc1ccc(C)n1C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000058355596 184107943 /nfs/dbraw/zinc/10/79/43/184107943.db2.gz NCXXCRKFBIREKT-UHFFFAOYSA-N 1 0 311.429 3.041 50 0 DGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000058392557 184111592 /nfs/dbraw/zinc/11/15/92/184111592.db2.gz LAOQSNJBTXDGEK-SNVBAGLBSA-N 1 0 312.870 3.360 50 0 DGAARO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccccc1C(F)(F)F ZINC000058296085 184101666 /nfs/dbraw/zinc/10/16/66/184101666.db2.gz CPFVQKIUZAHGBO-NEPJUHHUSA-N 1 0 324.350 3.294 50 0 DGAARO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cccc(C(F)(F)F)c1 ZINC000058296412 184102566 /nfs/dbraw/zinc/10/25/66/184102566.db2.gz HSQXVJOLVOWATQ-NEPJUHHUSA-N 1 0 324.350 3.294 50 0 DGAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H](c1ccco1)c1ccccc1)CN2 ZINC000058331367 184106909 /nfs/dbraw/zinc/10/69/09/184106909.db2.gz PNFSYFXDZPHHJL-HNAYVOBHSA-N 1 0 322.412 3.205 50 0 DGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](c1cccs1)C(C)C ZINC000058394071 184112541 /nfs/dbraw/zinc/11/25/41/184112541.db2.gz AUEWRWQDQCBATJ-OAHLLOKOSA-N 1 0 306.479 3.343 50 0 DGAARO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000058406684 184114195 /nfs/dbraw/zinc/11/41/95/184114195.db2.gz FWASEOPPZRGUCV-CQSZACIVSA-N 1 0 317.820 3.132 50 0 DGAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000063465687 184281943 /nfs/dbraw/zinc/28/19/43/184281943.db2.gz YGENYCGJRDBUKN-CQSZACIVSA-N 1 0 317.458 3.300 50 0 DGAARO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C/c1csc(C)n1 ZINC000064317498 184294497 /nfs/dbraw/zinc/29/44/97/184294497.db2.gz VBJDMXYTDUMRHC-LXKVQUBZSA-N 1 0 309.479 3.091 50 0 DGAARO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590811 184301122 /nfs/dbraw/zinc/30/11/22/184301122.db2.gz AZSZNPKEUWIRHC-UHFFFAOYSA-N 1 0 321.424 3.333 50 0 DGAARO Cc1ccc(-c2ccc(C(=O)NCCC[NH+]3CCCC3)cn2)cc1 ZINC000064668959 184302284 /nfs/dbraw/zinc/30/22/84/184302284.db2.gz ZSAFLSBPHMFNPD-UHFFFAOYSA-N 1 0 323.440 3.273 50 0 DGAARO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000065371177 184329797 /nfs/dbraw/zinc/32/97/97/184329797.db2.gz OLSGXVSVHYKSDA-CHWSQXEVSA-N 1 0 303.406 3.483 50 0 DGAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1nc(-c2ccccc2C)no1 ZINC000065407384 184339288 /nfs/dbraw/zinc/33/92/88/184339288.db2.gz WRQAEBXWQKDFTQ-CYBMUJFWSA-N 1 0 303.406 3.338 50 0 DGAARO CC(=O)NCCC1=CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000065436353 184344894 /nfs/dbraw/zinc/34/48/94/184344894.db2.gz JXSLWQLDHOHKIZ-UHFFFAOYSA-N 1 0 308.425 3.498 50 0 DGAARO Cc1ccsc1C[NH2+]CC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000065467467 184350991 /nfs/dbraw/zinc/35/09/91/184350991.db2.gz CBGMKGKLEHABNW-AWEZNQCLSA-N 1 0 302.443 3.332 50 0 DGAARO Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCCC[NH3+] ZINC000065490846 184353741 /nfs/dbraw/zinc/35/37/41/184353741.db2.gz HAAVPWGXQQXNJX-UHFFFAOYSA-N 1 0 306.793 3.377 50 0 DGAARO CC[C@@H](NC(=O)CC1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000065398477 184336742 /nfs/dbraw/zinc/33/67/42/184336742.db2.gz MOQDIWYGJBWARX-MRXNPFEDSA-N 1 0 303.450 3.079 50 0 DGAARO CCOc1c(CNC2CC[NH+](C(C)C)CC2)cccc1OC ZINC000065526075 184359816 /nfs/dbraw/zinc/35/98/16/184359816.db2.gz MLRLGFMTRPHJNL-UHFFFAOYSA-N 1 0 306.450 3.056 50 0 DGAARO CC(C)[N@H+](C)CCNC(=O)Nc1ccccc1C(F)(F)F ZINC000065541347 184362988 /nfs/dbraw/zinc/36/29/88/184362988.db2.gz FLZSAIWRVCXLIE-UHFFFAOYSA-N 1 0 303.328 3.167 50 0 DGAARO C[N@@H+]1CCC[C@H]1CNC(=O)CCSc1ccc(Cl)cc1 ZINC000065590711 184369899 /nfs/dbraw/zinc/36/98/99/184369899.db2.gz AJCISCKDXJPSOP-ZDUSSCGKSA-N 1 0 312.866 3.033 50 0 DGAARO CCc1csc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000065507624 184356812 /nfs/dbraw/zinc/35/68/12/184356812.db2.gz NTJWPZZJNRXUCH-MRXNPFEDSA-N 1 0 301.459 3.070 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2cc(SC)ccc2C)CC1 ZINC000065514781 184357979 /nfs/dbraw/zinc/35/79/79/184357979.db2.gz RCLOFHLGMNHQKQ-UHFFFAOYSA-N 1 0 306.475 3.321 50 0 DGAARO CC[C@@H](C)[N@H+](C)CCNC(=O)CCc1nc2ccccc2s1 ZINC000066137520 184391846 /nfs/dbraw/zinc/39/18/46/184391846.db2.gz CMRLXLRBHXLWAK-CYBMUJFWSA-N 1 0 319.474 3.075 50 0 DGAARO CC(C)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065625597 184375308 /nfs/dbraw/zinc/37/53/08/184375308.db2.gz FPCZEERIIPDADB-QZTJIDSGSA-N 1 0 300.446 3.298 50 0 DGAARO C[NH2+]CC1CCN(C(=O)/C=C\c2ccc(C)c(Cl)c2)CC1 ZINC000255010645 285119757 /nfs/dbraw/zinc/11/97/57/285119757.db2.gz UCRBLTLJLNEHGP-WAYWQWQTSA-N 1 0 306.837 3.120 50 0 DGAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCCC1 ZINC000010384097 285307373 /nfs/dbraw/zinc/30/73/73/285307373.db2.gz GYTYWKBSNBDBML-WFRNDULYSA-N 1 0 321.505 3.456 50 0 DGAARO C[NH+]1CCC(Cc2nc(Cc3ccc4c(c3)CCC4)no2)CC1 ZINC000289889163 221293446 /nfs/dbraw/zinc/29/34/46/221293446.db2.gz WAHDPXALVQHEEW-UHFFFAOYSA-N 1 0 311.429 3.033 50 0 DGAARO Fc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1C(F)(F)F ZINC000361955129 257236341 /nfs/dbraw/zinc/23/63/41/257236341.db2.gz KEKUSSHEGHQGAI-LLVKDONJSA-N 1 0 313.298 3.215 50 0 DGAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)sc2cccc(F)c12 ZINC000237630495 257238618 /nfs/dbraw/zinc/23/86/18/257238618.db2.gz AXUAZTCAPVNRMI-GXSJLCMTSA-N 1 0 306.406 3.301 50 0 DGAARO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1cccc2ccccc21 ZINC000239653806 257259860 /nfs/dbraw/zinc/25/98/60/257259860.db2.gz BLKQWNLNPLSKKL-FZKQIMNGSA-N 1 0 309.413 3.444 50 0 DGAARO Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)no1 ZINC000012867981 291955870 /nfs/dbraw/zinc/95/58/70/291955870.db2.gz KSUPIWIBKKPZNF-UHFFFAOYSA-N 1 0 320.437 3.293 50 0 DGAARO S=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCCCC1 ZINC000006334006 285408586 /nfs/dbraw/zinc/40/85/86/285408586.db2.gz OQZMIMDWFPVLNY-HNNXBMFYSA-N 1 0 321.490 3.213 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)c1ccsc1 ZINC000090955549 545832979 /nfs/dbraw/zinc/83/29/79/545832979.db2.gz KFBBGWFVBIADJS-SWLSCSKDSA-N 1 0 304.415 3.162 50 0 DGAARO O=C(CCC(F)(F)F)NCC1([NH+]2CCCCC2)CCCC1 ZINC000584887549 400121117 /nfs/dbraw/zinc/12/11/17/400121117.db2.gz AARDQWSYZCGFSG-UHFFFAOYSA-N 1 0 306.372 3.244 50 0 DGAARO CC[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000584889284 400121571 /nfs/dbraw/zinc/12/15/71/400121571.db2.gz QOCJLTODUBEBNQ-KRWDZBQOSA-N 1 0 312.461 3.229 50 0 DGAARO CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cnccc3Cl)C2)C1 ZINC000584891879 400121693 /nfs/dbraw/zinc/12/16/93/400121693.db2.gz CPVJQNSWXDNXJO-QGZVFWFLSA-N 1 0 307.869 3.433 50 0 DGAARO Cc1ccccc1C1([NH2+][C@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC000584890404 400122057 /nfs/dbraw/zinc/12/20/57/400122057.db2.gz UOUPEHCFOYXWIT-KRWDZBQOSA-N 1 0 312.457 3.365 50 0 DGAARO Cc1ccc(C[NH2+]C2CSCCSC2)c2cccnc12 ZINC000584895866 400123338 /nfs/dbraw/zinc/12/33/38/400123338.db2.gz OHAHXMMDZSESEG-UHFFFAOYSA-N 1 0 304.484 3.481 50 0 DGAARO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc2scnc21 ZINC000585141705 400129041 /nfs/dbraw/zinc/12/90/41/400129041.db2.gz XEBDHWODDMYKLE-UHFFFAOYSA-N 1 0 305.447 3.147 50 0 DGAARO Cc1csc(CC2(O)CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000585141225 400129092 /nfs/dbraw/zinc/12/90/92/400129092.db2.gz RPTJLPTWWUVNGI-UHFFFAOYSA-N 1 0 320.433 3.160 50 0 DGAARO CC1(C)C[C@H]([NH2+]Cc2csc([C@H]3CCCO3)n2)C(C)(C)O1 ZINC000097103340 400283119 /nfs/dbraw/zinc/28/31/19/400283119.db2.gz WTRHASNVJYVSTF-OLZOCXBDSA-N 1 0 310.463 3.430 50 0 DGAARO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000097235846 400284241 /nfs/dbraw/zinc/28/42/41/400284241.db2.gz CUSBMZJTBYLZKV-JFIYKMOQSA-N 1 0 322.493 3.105 50 0 DGAARO C[C@@H]1CC[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@@H]1C ZINC000097379712 400285582 /nfs/dbraw/zinc/28/55/82/400285582.db2.gz NZESBEXDLJZPLV-OWCLPIDISA-N 1 0 304.482 3.351 50 0 DGAARO CC(C)[N@@H+]1C[C@@H](CNC(=O)c2ccccn2)C2(C1)CCCCC2 ZINC000409419709 400301282 /nfs/dbraw/zinc/30/12/82/400301282.db2.gz ZLOGPQQXTGNHGG-MRXNPFEDSA-N 1 0 315.461 3.102 50 0 DGAARO C[N@@H+]1C[C@H](CNC(=O)c2c(F)cccc2F)C2(C1)CCCCC2 ZINC000409420247 400301607 /nfs/dbraw/zinc/30/16/07/400301607.db2.gz KRPRVTGTICSUFC-ZDUSSCGKSA-N 1 0 322.399 3.207 50 0 DGAARO CC(=O)NC1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000072290408 400378903 /nfs/dbraw/zinc/37/89/03/400378903.db2.gz UREOKSWZFLJZTR-UHFFFAOYSA-N 1 0 310.441 3.373 50 0 DGAARO Cc1ncccc1C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000131453964 400550323 /nfs/dbraw/zinc/55/03/23/400550323.db2.gz ZQOZMAPFUMOBQR-HOTGVXAUSA-N 1 0 319.449 3.316 50 0 DGAARO O[C@](Cc1ccccc1)(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000001250071 296587517 /nfs/dbraw/zinc/58/75/17/296587517.db2.gz OZLFWGFNBXLDCI-NHCUHLMSSA-N 1 0 307.437 3.459 50 0 DGAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000076057587 400630658 /nfs/dbraw/zinc/63/06/58/400630658.db2.gz LIYAOAANQPSUKT-WMLDXEAASA-N 1 0 313.445 3.151 50 0 DGAARO O=C(Nc1cccc(C(F)F)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000157563330 400716582 /nfs/dbraw/zinc/71/65/82/400716582.db2.gz VBZQQLSUUUSSEC-HNNXBMFYSA-N 1 0 302.324 3.277 50 0 DGAARO CCC[N@H+](C)C[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000078563213 400810460 /nfs/dbraw/zinc/81/04/60/400810460.db2.gz JTDYZJJPLPIRFH-LBPRGKRZSA-N 1 0 301.356 3.269 50 0 DGAARO Cc1cnc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000170088977 400762415 /nfs/dbraw/zinc/76/24/15/400762415.db2.gz JIAVBZYZGKXKTB-UHFFFAOYSA-N 1 0 305.809 3.395 50 0 DGAARO CCC[C@H]([NH3+])CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000170677228 400769093 /nfs/dbraw/zinc/76/90/93/400769093.db2.gz HWYABPOYTWURTI-UWVGGRQHSA-N 1 0 303.233 3.341 50 0 DGAARO O=C(NCC1CC1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000604418485 400774927 /nfs/dbraw/zinc/77/49/27/400774927.db2.gz ZWHZQOUYJITFOC-UHFFFAOYSA-N 1 0 320.436 3.234 50 0 DGAARO CCCN(C(=O)c1ccc(-c2ccccc2)nc1C)[C@@H]1CC[NH2+]C1 ZINC000178905539 400876639 /nfs/dbraw/zinc/87/66/39/400876639.db2.gz AZUARJZFVBXGTP-QGZVFWFLSA-N 1 0 323.440 3.271 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000078897319 400831352 /nfs/dbraw/zinc/83/13/52/400831352.db2.gz YSOZFGXDDQNSPH-NHYWBVRUSA-N 1 0 312.816 3.216 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cccc(F)c1 ZINC000078896894 400831701 /nfs/dbraw/zinc/83/17/01/400831701.db2.gz BKRJJVALZOLBCU-IIYDPXPESA-N 1 0 304.409 3.123 50 0 DGAARO CC1CCC(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000225512709 400958905 /nfs/dbraw/zinc/95/89/05/400958905.db2.gz FTCIWYQUELMMDD-UHFFFAOYSA-N 1 0 315.461 3.065 50 0 DGAARO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000066196965 401296283 /nfs/dbraw/zinc/29/62/83/401296283.db2.gz XLWASFMLSARGGW-CVEARBPZSA-N 1 0 305.466 3.428 50 0 DGAARO COc1ccc([C@@H](C(=O)NC2CCCCC2)[NH+]2CCCC2)cc1 ZINC000058012622 286353164 /nfs/dbraw/zinc/35/31/64/286353164.db2.gz YOIPSMQAZWJLGB-SFHVURJKSA-N 1 0 316.445 3.281 50 0 DGAARO C[C@H]1CCCC[C@H]1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000007570381 299811196 /nfs/dbraw/zinc/81/11/96/299811196.db2.gz DXMZXLDBDTUPSJ-GXTWGEPZSA-N 1 0 311.539 3.338 50 0 DGAARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000136833504 432163421 /nfs/dbraw/zinc/16/34/21/432163421.db2.gz ZAGNCWIRSNRLBU-GDBMZVCRSA-N 1 0 305.466 3.061 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000299739525 229372185 /nfs/dbraw/zinc/37/21/85/229372185.db2.gz PQVKCMQAQJWXLT-YOENINGUSA-N 1 0 306.837 3.029 50 0 DGAARO Cc1cc(C)c(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000151341089 432237974 /nfs/dbraw/zinc/23/79/74/432237974.db2.gz YRJVNWDHQQWRQP-ALOPSCKCSA-N 1 0 300.446 3.149 50 0 DGAARO CC(C)(C)OC(=O)N1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000040443085 273499529 /nfs/dbraw/zinc/49/95/29/273499529.db2.gz GPKKXSAFDWGFOL-UHFFFAOYSA-N 1 0 306.381 3.202 50 0 DGAARO C[NH2+]C[C@H]1CCCN1C(=O)c1sc2ccc(OC)cc2c1C ZINC000237275535 273967929 /nfs/dbraw/zinc/96/79/29/273967929.db2.gz CKXJSPKBISLWFT-GFCCVEGCSA-N 1 0 318.442 3.042 50 0 DGAARO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cccc2c[nH]nc21 ZINC000095448869 274229893 /nfs/dbraw/zinc/22/98/93/274229893.db2.gz PARWPPNKMDJBLT-SJCJKPOMSA-N 1 0 313.376 3.304 50 0 DGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000053573749 274316477 /nfs/dbraw/zinc/31/64/77/274316477.db2.gz LUIRIZKQVHZMND-OWCLPIDISA-N 1 0 310.445 3.471 50 0 DGAARO C[C@@H]1C[C@@H](N(C)c2ncnc3sc4c(c32)CCC4)CC[N@@H+]1C ZINC000170642911 274386775 /nfs/dbraw/zinc/38/67/75/274386775.db2.gz YKQYNVAGEHCZBW-NEPJUHHUSA-N 1 0 316.474 3.099 50 0 DGAARO CC(C)(C)n1cc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)nn1 ZINC000191605233 275543523 /nfs/dbraw/zinc/54/35/23/275543523.db2.gz YDLAYDGQPBHDEI-DOTOQJQBSA-N 1 0 314.433 3.043 50 0 DGAARO CC1CC[NH+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000010383779 275940527 /nfs/dbraw/zinc/94/05/27/275940527.db2.gz BHDZATDKILUROV-WFRNDULYSA-N 1 0 321.505 3.312 50 0 DGAARO CCCc1nnc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000095380111 276057348 /nfs/dbraw/zinc/05/73/48/276057348.db2.gz FAIGGUIJQTWLRE-HNNXBMFYSA-N 1 0 318.396 3.410 50 0 DGAARO CCCc1cc(C(=O)NC[C@@H](c2sccc2C)[NH+](C)C)no1 ZINC000077394529 276295209 /nfs/dbraw/zinc/29/52/09/276295209.db2.gz MDFYQAOKGWQDTB-AWEZNQCLSA-N 1 0 321.446 3.030 50 0 DGAARO COc1ccc([C@H](C(=O)NC2CCCCC2)[NH+]2CCCC2)cc1 ZINC000058012623 277427921 /nfs/dbraw/zinc/42/79/21/277427921.db2.gz YOIPSMQAZWJLGB-GOSISDBHSA-N 1 0 316.445 3.281 50 0 DGAARO C[C@@]12C[NH2+]C[C@@](C)(CN(Cc3ccccc3Br)C1)C2 ZINC000000346472 279180396 /nfs/dbraw/zinc/18/03/96/279180396.db2.gz ZUVCCRBFBIACET-IYBDPMFKSA-N 1 0 323.278 3.271 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229415808 279246589 /nfs/dbraw/zinc/24/65/89/279246589.db2.gz SGECJZIECLHGFB-MGPQQGTHSA-N 1 0 321.465 3.203 50 0 DGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H](C)c3ccccc3)C2=O)cc1 ZINC000000183104 431141145 /nfs/dbraw/zinc/14/11/45/431141145.db2.gz YWJWWPVGOBPONZ-QAPCUYQASA-N 1 0 322.408 3.020 50 0 DGAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000000317553 431164509 /nfs/dbraw/zinc/16/45/09/431164509.db2.gz BLOWQNVJGWCPNR-OAHLLOKOSA-N 1 0 318.436 3.296 50 0 DGAARO COc1ccccc1NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000109047927 431166497 /nfs/dbraw/zinc/16/64/97/431166497.db2.gz LRKHIOSVJRAHJW-ZNMIVQPWSA-N 1 0 319.449 3.183 50 0 DGAARO O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069221215 431170491 /nfs/dbraw/zinc/17/04/91/431170491.db2.gz QUXXHGKLWCKLIT-CQSZACIVSA-N 1 0 323.387 3.447 50 0 DGAARO C[NH+]1CCC(OC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000000383089 431172707 /nfs/dbraw/zinc/17/27/07/431172707.db2.gz ATECQNVCCVLUKJ-UHFFFAOYSA-N 1 0 305.418 3.000 50 0 DGAARO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)[C@H](C)n2cccn2)c1 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c1nc2n(n1)C[C@H]([NH2+]Cc1cccc(-c3ccccc3)c1)CC2 ZINC000069493260 431192250 /nfs/dbraw/zinc/19/22/50/431192250.db2.gz PEUVUDCMUTZQIR-GOSISDBHSA-N 1 0 304.397 3.050 50 0 DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000069512741 431193325 /nfs/dbraw/zinc/19/33/25/431193325.db2.gz BAKLJXSKFJDHHC-JKSUJKDBSA-N 1 0 309.417 3.117 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000000214698 431147188 /nfs/dbraw/zinc/14/71/88/431147188.db2.gz NBHLEPWINPEOME-ZDUSSCGKSA-N 1 0 310.388 3.045 50 0 DGAARO C[C@@H]1[C@H]([NH2+]C2CCN(CC(F)F)CC2)C[C@H]1c1ccccc1 ZINC000108496668 431147204 /nfs/dbraw/zinc/14/72/04/431147204.db2.gz RRJMXEJJFZUSSD-IAOVAPTHSA-N 1 0 308.416 3.498 50 0 DGAARO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000000234520 431149461 /nfs/dbraw/zinc/14/94/61/431149461.db2.gz UTCNPIIKTRCTOD-UHFFFAOYSA-N 1 0 314.404 3.465 50 0 DGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC000000241126 431151230 /nfs/dbraw/zinc/15/12/30/431151230.db2.gz 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318.417 3.454 50 0 DGAARO Cc1cc(C)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000012348740 431502977 /nfs/dbraw/zinc/50/29/77/431502977.db2.gz IKVWSTBDURLXKZ-MRXNPFEDSA-N 1 0 302.443 3.398 50 0 DGAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012387407 431505364 /nfs/dbraw/zinc/50/53/64/431505364.db2.gz WEVGWFWLSRSMSO-AWEZNQCLSA-N 1 0 307.821 3.414 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCCCC2)c2ccc(F)cc12 ZINC000012421997 431506595 /nfs/dbraw/zinc/50/65/95/431506595.db2.gz OQRBSWLZGASZPC-MRXNPFEDSA-N 1 0 304.409 3.244 50 0 DGAARO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000012459543 431510440 /nfs/dbraw/zinc/51/04/40/431510440.db2.gz DUXCJWLYHMZBFH-HXUWFJFHSA-N 1 0 312.457 3.220 50 0 DGAARO Cc1ccc(CC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000012890326 431535802 /nfs/dbraw/zinc/53/58/02/431535802.db2.gz KORSPLZLYVGXAV-GOSISDBHSA-N 1 0 314.404 3.096 50 0 DGAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000013001902 431543579 /nfs/dbraw/zinc/54/35/79/431543579.db2.gz QMWFOLDFTHDURZ-BBRMVZONSA-N 1 0 310.397 3.299 50 0 DGAARO CC[C@@H](C)[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717654 431567447 /nfs/dbraw/zinc/56/74/47/431567447.db2.gz MHLTYESPCQWZLP-CQSZACIVSA-N 1 0 323.400 3.343 50 0 DGAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)CC1 ZINC000013744972 431568583 /nfs/dbraw/zinc/56/85/83/431568583.db2.gz WEDPMLGAWIVAQW-CYBMUJFWSA-N 1 0 324.852 3.016 50 0 DGAARO O=C(NCC[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000013755532 431570190 /nfs/dbraw/zinc/57/01/90/431570190.db2.gz MWYOFPSSMVPDDI-UHFFFAOYSA-N 1 0 322.452 3.421 50 0 DGAARO Cc1ccccc1C[C@@]1(CO)CCC[N@H+](Cc2ccccn2)C1 ZINC000015076268 431601756 /nfs/dbraw/zinc/60/17/56/431601756.db2.gz QHNZHHSPBCNOFV-FQEVSTJZSA-N 1 0 310.441 3.207 50 0 DGAARO Fc1cc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c2c(c1)COCO2 ZINC000014171215 431582620 /nfs/dbraw/zinc/58/26/20/431582620.db2.gz PRENALXQZIRXBZ-ZIAGYGMSSA-N 1 0 322.405 3.196 50 0 DGAARO O=C1Nc2ccccc2[C@H]1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000020759448 431625232 /nfs/dbraw/zinc/62/52/32/431625232.db2.gz YGURMDITZSVQME-FUHWJXTLSA-N 1 0 303.365 3.091 50 0 biogenic DGAARO CCn1c2ccccc2nc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020994840 431629349 /nfs/dbraw/zinc/62/93/49/431629349.db2.gz OVXMEIWGJFLCNP-INIZCTEOSA-N 1 0 312.461 3.116 50 0 DGAARO C[C@@H]1C[N@H+](C(C)(C)CNc2nc3ccccc3o2)C[C@H](C)O1 ZINC000026083214 431668083 /nfs/dbraw/zinc/66/80/83/431668083.db2.gz XZDURZQMXQKFNW-BETUJISGSA-N 1 0 303.406 3.128 50 0 DGAARO CN(C)C(=O)CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000025946060 431668364 /nfs/dbraw/zinc/66/83/64/431668364.db2.gz HIKLHVBPLMHWTC-GOSISDBHSA-N 1 0 314.454 3.174 50 0 DGAARO c1nn(Cc2ccccc2)c2c1[C@H]([NH2+]Cc1cccnc1)CCC2 ZINC000027223073 431687051 /nfs/dbraw/zinc/68/70/51/431687051.db2.gz BOWNJPIETUBGAP-LJQANCHMSA-N 1 0 318.424 3.494 50 0 DGAARO Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000078642499 431691555 /nfs/dbraw/zinc/69/15/55/431691555.db2.gz RIEXLMZPENQMHX-CQSZACIVSA-N 1 0 305.447 3.238 50 0 DGAARO COc1ccc([C@H](CNC(=O)CC(C)C)[NH+]2CCCCC2)cc1 ZINC000027794328 431695800 /nfs/dbraw/zinc/69/58/00/431695800.db2.gz OAQALZGNACYMJN-SFHVURJKSA-N 1 0 318.461 3.385 50 0 DGAARO CN(C)C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000028317074 431706237 /nfs/dbraw/zinc/70/62/37/431706237.db2.gz METLGLASTQLSIU-FQEVSTJZSA-N 1 0 320.440 3.265 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H]3CCc4ccccc43)nc12 ZINC000029486260 431725485 /nfs/dbraw/zinc/72/54/85/431725485.db2.gz PGNIVVMAVQDXIN-SFHVURJKSA-N 1 0 319.408 3.122 50 0 DGAARO O=C(CCc1ccccc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029838603 431728675 /nfs/dbraw/zinc/72/86/75/431728675.db2.gz ZEGNBRIGHRPDBN-UHFFFAOYSA-N 1 0 322.452 3.184 50 0 DGAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc(C)sc2C)on1 ZINC000179371358 280612589 /nfs/dbraw/zinc/61/25/89/280612589.db2.gz NGDWPMZZRSYLBP-GHMZBOCLSA-N 1 0 307.419 3.339 50 0 DGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]c2ccccc12 ZINC000032819909 431792491 /nfs/dbraw/zinc/79/24/91/431792491.db2.gz SXKVENRONXMXSF-INIZCTEOSA-N 1 0 319.408 3.172 50 0 DGAARO Cc1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1 ZINC000000098372 280720976 /nfs/dbraw/zinc/72/09/76/280720976.db2.gz LKYBZUJEULIZMU-UHFFFAOYSA-N 1 0 324.453 3.419 50 0 DGAARO COc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1OC ZINC000032520041 431782918 /nfs/dbraw/zinc/78/29/18/431782918.db2.gz CLPVOKSGZYGHJX-UHFFFAOYSA-N 1 0 318.461 3.154 50 0 DGAARO Cc1ccc2c(ncn(C3CC(C)(C)[NH2+]C(C)(C)C3)c2=O)c1C ZINC000032580923 431786121 /nfs/dbraw/zinc/78/61/21/431786121.db2.gz UGQODMJDCKWEAR-UHFFFAOYSA-N 1 0 313.445 3.495 50 0 DGAARO C[NH+](C)CCN(C(=O)C1CCC1)c1nc2ccc(F)cc2s1 ZINC000036642404 431840195 /nfs/dbraw/zinc/84/01/95/431840195.db2.gz YZPKNPSTZTWURA-UHFFFAOYSA-N 1 0 321.421 3.130 50 0 DGAARO CCOC(=O)N1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000089153728 431860814 /nfs/dbraw/zinc/86/08/14/431860814.db2.gz XPDJYFXWBKJJAK-RDJZCZTQSA-N 1 0 302.418 3.001 50 0 DGAARO COCCOc1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)cn1 ZINC000089657352 431873928 /nfs/dbraw/zinc/87/39/28/431873928.db2.gz SFBHCNXJASMJBC-SFHVURJKSA-N 1 0 312.413 3.192 50 0 DGAARO O[C@@H](C[NH2+]Cc1cc(Br)cs1)c1ccccc1 ZINC000035112778 431823730 /nfs/dbraw/zinc/82/37/30/431823730.db2.gz JRMJXVNBFWVVCO-ZDUSSCGKSA-N 1 0 312.232 3.334 50 0 DGAARO CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CCCOC1 ZINC000084774563 431833344 /nfs/dbraw/zinc/83/33/44/431833344.db2.gz OZRQKLZRIDXEBN-GOSISDBHSA-N 1 0 317.477 3.047 50 0 DGAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)C)cc1 ZINC000036095294 431834697 /nfs/dbraw/zinc/83/46/97/431834697.db2.gz MRFMKTUTUKAVEA-SFHVURJKSA-N 1 0 323.477 3.329 50 0 DGAARO COc1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048252805 431921414 /nfs/dbraw/zinc/92/14/14/431921414.db2.gz KPBNPRKQURCWMW-KRWDZBQOSA-N 1 0 313.401 3.120 50 0 DGAARO C[NH+](C)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000048265714 431921812 /nfs/dbraw/zinc/92/18/12/431921812.db2.gz MVYNKDDHUPVENR-INIZCTEOSA-N 1 0 302.805 3.373 50 0 DGAARO CC[C@H](CNc1ncnc2nc(C)cc(C)c21)[NH+]1CCCCC1 ZINC000095358256 431922595 /nfs/dbraw/zinc/92/25/95/431922595.db2.gz LYHFFPJAIRYCAC-OAHLLOKOSA-N 1 0 313.449 3.318 50 0 DGAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@]4(CCOC4)C3)s2)n[nH]1 ZINC000095367693 431922703 /nfs/dbraw/zinc/92/27/03/431922703.db2.gz CFCGRTHZXMASTB-INIZCTEOSA-N 1 0 303.431 3.141 50 0 DGAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCOc1ccccc1Cl ZINC000095368374 431923445 /nfs/dbraw/zinc/92/34/45/431923445.db2.gz SNIKFPISELTZQV-AWEZNQCLSA-N 1 0 324.852 3.100 50 0 DGAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCc1ccc(F)cc1 ZINC000095387340 431923672 /nfs/dbraw/zinc/92/36/72/431923672.db2.gz GZUYBUPKUNAZNN-KRWDZBQOSA-N 1 0 306.425 3.139 50 0 DGAARO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H](C)C2)c1 ZINC000048324651 431923825 /nfs/dbraw/zinc/92/38/25/431923825.db2.gz KMGUQQLQUFMAFZ-MAUKXSAKSA-N 1 0 316.445 3.091 50 0 DGAARO Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000048332024 431924168 /nfs/dbraw/zinc/92/41/68/431924168.db2.gz WLDZXCFQZUTRHG-HOTGVXAUSA-N 1 0 302.462 3.401 50 0 DGAARO CC[C@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1ccc(O)cc1 ZINC000095369927 431924149 /nfs/dbraw/zinc/92/41/49/431924149.db2.gz SGNKWJPMUDDIJS-SFHVURJKSA-N 1 0 318.461 3.470 50 0 DGAARO Cc1ccccc1SCC(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000095370861 431924152 /nfs/dbraw/zinc/92/41/52/431924152.db2.gz NTXRPNMFBPEQPB-JKSUJKDBSA-N 1 0 320.502 3.132 50 0 DGAARO CN(Cc1nccs1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095377208 431924273 /nfs/dbraw/zinc/92/42/73/431924273.db2.gz WDPFOMOFFNAZBN-UHFFFAOYSA-N 1 0 321.490 3.146 50 0 DGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)C2=Cc3ccccc3OC=C2)C1 ZINC000095375059 431924292 /nfs/dbraw/zinc/92/42/92/431924292.db2.gz CDPUROVFGKUGQB-HNNXBMFYSA-N 1 0 324.424 3.061 50 0 DGAARO Cc1cccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n1 ZINC000095383368 431924334 /nfs/dbraw/zinc/92/43/34/431924334.db2.gz NFPKXKYGPBBNJB-PZJWPPBQSA-N 1 0 321.468 3.486 50 0 DGAARO c1nc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cs1 ZINC000095382771 431924448 /nfs/dbraw/zinc/92/44/48/431924448.db2.gz QCHOWYNCGIFYMK-FUHWJXTLSA-N 1 0 313.470 3.240 50 0 DGAARO Cc1csc(NC(=O)C[N@H+](C)CCCCc2ccccc2)n1 ZINC000048374466 431924620 /nfs/dbraw/zinc/92/46/20/431924620.db2.gz VOEAAFWBMJTWCB-UHFFFAOYSA-N 1 0 317.458 3.345 50 0 DGAARO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000095420292 431925049 /nfs/dbraw/zinc/92/50/49/431925049.db2.gz KHCBKOHWWXUHCN-GFCCVEGCSA-N 1 0 324.471 3.361 50 0 DGAARO COc1ccccc1C[C@@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000095423039 431925087 /nfs/dbraw/zinc/92/50/87/431925087.db2.gz PKBGAXJQRDDWDW-DYVFJYSZSA-N 1 0 305.443 3.185 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1c[nH]c2ccccc12 ZINC000044670855 431875997 /nfs/dbraw/zinc/87/59/97/431875997.db2.gz HUDDAKGMPHFFKG-MRXNPFEDSA-N 1 0 313.445 3.091 50 0 DGAARO Cc1nc(Cl)cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000089708991 431876557 /nfs/dbraw/zinc/87/65/57/431876557.db2.gz CDCLRFAWJNZEKQ-XJKSGUPXSA-N 1 0 302.809 3.296 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 ZINC000095422863 431925307 /nfs/dbraw/zinc/92/53/07/431925307.db2.gz FNPQCDJKTZNANN-CMPLNLGQSA-N 1 0 314.401 3.273 50 0 DGAARO CCc1nc2c(s1)[C@H]([NH2+]CCOc1cccnc1)CCC2 ZINC000095422458 431925369 /nfs/dbraw/zinc/92/53/69/431925369.db2.gz NGEIAFVPTFCKDA-CYBMUJFWSA-N 1 0 303.431 3.147 50 0 DGAARO COc1ccccc1[C@@H](C)[N@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000044914499 431879453 /nfs/dbraw/zinc/87/94/53/431879453.db2.gz LKXIYWZZMJWQRS-CYBMUJFWSA-N 1 0 317.389 3.013 50 0 DGAARO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000089885195 431884300 /nfs/dbraw/zinc/88/43/00/431884300.db2.gz NQTMTDXHHZDIMY-KRWDZBQOSA-N 1 0 320.452 3.482 50 0 DGAARO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000089927801 431885457 /nfs/dbraw/zinc/88/54/57/431885457.db2.gz BFBAKXMKZDHVNZ-GJZGRUSLSA-N 1 0 322.415 3.152 50 0 DGAARO CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1nccs1 ZINC000095422820 431925577 /nfs/dbraw/zinc/92/55/77/431925577.db2.gz RYDNYZFUJVMFPR-MRXNPFEDSA-N 1 0 316.474 3.243 50 0 DGAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000090780106 431895367 /nfs/dbraw/zinc/89/53/67/431895367.db2.gz DOGDSMWIVWTNCD-XOBRGWDASA-N 1 0 324.424 3.130 50 0 DGAARO CCc1cnc(C)nc1N1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000095499594 431925820 /nfs/dbraw/zinc/92/58/20/431925820.db2.gz VUBLIEHKGAQMDJ-UWWQBHOKSA-N 1 0 314.477 3.094 50 0 DGAARO Cc1ccccc1CC1(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000097575112 431971825 /nfs/dbraw/zinc/97/18/25/431971825.db2.gz LLDJCSYIVZGADZ-UHFFFAOYSA-N 1 0 309.413 3.351 50 0 DGAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000097637913 431972560 /nfs/dbraw/zinc/97/25/60/431972560.db2.gz INPKMTPOUNSQOA-GFCCVEGCSA-N 1 0 312.392 3.468 50 0 DGAARO Cc1ccc(-c2ccc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C)C4)cc2)o1 ZINC000097675282 431973145 /nfs/dbraw/zinc/97/31/45/431973145.db2.gz RYZZIKFWOCCBFM-MAUKXSAKSA-N 1 0 324.424 3.421 50 0 DGAARO Cc1noc(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)n1 ZINC000054678592 431973168 /nfs/dbraw/zinc/97/31/68/431973168.db2.gz OJECOICTBVWANX-UHFFFAOYSA-N 1 0 319.380 3.166 50 0 DGAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccccc1 ZINC000055405272 431980850 /nfs/dbraw/zinc/98/08/50/431980850.db2.gz BTMDDCNPVWZPLY-UONOGXRCSA-N 1 0 310.388 3.015 50 0 DGAARO CCc1ccc(C[N@H+](CCCO)Cc2ccc(C)s2)nc1 ZINC000055089174 431976146 /nfs/dbraw/zinc/97/61/46/431976146.db2.gz IRFPPFKXENUISP-UHFFFAOYSA-N 1 0 304.459 3.399 50 0 DGAARO CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055065554 431976470 /nfs/dbraw/zinc/97/64/70/431976470.db2.gz KANFRUSNGPHTDQ-UHFFFAOYSA-N 1 0 323.440 3.357 50 0 DGAARO CCc1oc(C(=O)N2CC=C[C@H]2CC)cc1C[NH+]1CCCC1 ZINC000055182839 431976904 /nfs/dbraw/zinc/97/69/04/431976904.db2.gz VQDXFQSAYAMQGV-OAHLLOKOSA-N 1 0 302.418 3.228 50 0 DGAARO Cc1cc(C)c(C[NH2+]Cc2cncn2CC(C)C)c(C)c1CO ZINC000055108932 431977081 /nfs/dbraw/zinc/97/70/81/431977081.db2.gz KTMBNSPMORLQTB-UHFFFAOYSA-N 1 0 315.461 3.246 50 0 DGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccn2-c2ncccn2)c1 ZINC000055120066 431977167 /nfs/dbraw/zinc/97/71/67/431977167.db2.gz LBEVSILHFJICJO-MRXNPFEDSA-N 1 0 321.428 3.034 50 0 DGAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(Cl)ccc1F ZINC000055173341 431977601 /nfs/dbraw/zinc/97/76/01/431977601.db2.gz YKPSVHMJMCJKNN-UHFFFAOYSA-N 1 0 312.816 3.475 50 0 DGAARO C[N@@H+]1CCCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000095947457 431926815 /nfs/dbraw/zinc/92/68/15/431926815.db2.gz HUDLAYFGGVOKBI-UHFFFAOYSA-N 1 0 309.335 3.396 50 0 DGAARO [NH3+][C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000095939018 431927283 /nfs/dbraw/zinc/92/72/83/431927283.db2.gz XVKWYMXOUUXLHN-ZDUSSCGKSA-N 1 0 323.165 3.227 50 0 DGAARO Cc1cc2ncnc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2cc1C ZINC000095945046 431927456 /nfs/dbraw/zinc/92/74/56/431927456.db2.gz FBRXTDRODTUKNO-QAPCUYQASA-N 1 0 310.445 3.167 50 0 DGAARO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000095956253 431928401 /nfs/dbraw/zinc/92/84/01/431928401.db2.gz PMBZRZVGYSKNFS-CQSZACIVSA-N 1 0 306.768 3.335 50 0 DGAARO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cncc(F)c1 ZINC000095967848 431928764 /nfs/dbraw/zinc/92/87/64/431928764.db2.gz VUYCHCVDPUQMKS-FZKQIMNGSA-N 1 0 300.377 3.095 50 0 DGAARO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)c3cnccn3)cc2)n1 ZINC000095967308 431929505 /nfs/dbraw/zinc/92/95/05/431929505.db2.gz UHAVRUVMICTWHA-INIZCTEOSA-N 1 0 321.428 3.172 50 0 DGAARO Cc1cnc([C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C2CC2)s1 ZINC000095968581 431930208 /nfs/dbraw/zinc/93/02/08/431930208.db2.gz NJTXZEDNFPRIPT-NWDGAFQWSA-N 1 0 319.396 3.129 50 0 DGAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cn2ccccc2n1 ZINC000095978201 431931056 /nfs/dbraw/zinc/93/10/56/431931056.db2.gz KXYJLFLMABIJNV-DYVFJYSZSA-N 1 0 313.376 3.075 50 0 DGAARO CC(C)c1ccc([C@H]2CCCC[N@@H+]2CC2(CO)COC2)cc1 ZINC000095978929 431931156 /nfs/dbraw/zinc/93/11/56/431931156.db2.gz MFQSLXNAOWYNFV-GOSISDBHSA-N 1 0 303.446 3.346 50 0 DGAARO Cc1cccc(C)c1CNc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000095986875 431931857 /nfs/dbraw/zinc/93/18/57/431931857.db2.gz QJMKVHYBWFJDAO-UHFFFAOYSA-N 1 0 311.429 3.076 50 0 DGAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCc1nnc2ccccn21 ZINC000095982149 431931881 /nfs/dbraw/zinc/93/18/81/431931881.db2.gz UGUQAWRNSVXFFL-GDBMZVCRSA-N 1 0 306.413 3.418 50 0 DGAARO FC(F)CN1CCC([NH2+]C[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000095986483 431932257 /nfs/dbraw/zinc/93/22/57/431932257.db2.gz LHLUSPNQQTVNOW-BEFAXECRSA-N 1 0 320.427 3.210 50 0 DGAARO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)s1 ZINC000125715925 431934496 /nfs/dbraw/zinc/93/44/96/431934496.db2.gz JBTCPBOOBVQZDM-GXSJLCMTSA-N 1 0 321.412 3.301 50 0 DGAARO C1C[C@H](c2noc(C3([NH+]4CCCCC4)CCCCC3)n2)CO1 ZINC000096151796 431940888 /nfs/dbraw/zinc/94/08/88/431940888.db2.gz GCAVDRRVZVMIIJ-AWEZNQCLSA-N 1 0 305.422 3.219 50 0 DGAARO O=C(c1cccc2c(Cl)cccc12)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000096166397 431941493 /nfs/dbraw/zinc/94/14/93/431941493.db2.gz PKOVVLPQBUNZNW-YVEFUNNKSA-N 1 0 314.816 3.317 50 0 DGAARO Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000049922601 431944064 /nfs/dbraw/zinc/94/40/64/431944064.db2.gz KJTDZQIBTDLENU-FQEVSTJZSA-N 1 0 310.441 3.159 50 0 DGAARO Fc1ccc(OC2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000096406611 431945994 /nfs/dbraw/zinc/94/59/94/431945994.db2.gz DFNAVQKLQDINKD-UHFFFAOYSA-N 1 0 300.377 3.307 50 0 DGAARO Cc1cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)ccc1F ZINC000050545528 431948405 /nfs/dbraw/zinc/94/84/05/431948405.db2.gz FVQAUROLEICIQL-ZDUSSCGKSA-N 1 0 304.331 3.108 50 0 DGAARO CC(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000096479352 431952885 /nfs/dbraw/zinc/95/28/85/431952885.db2.gz XKSOWUJRVZZBFR-UKRRQHHQSA-N 1 0 304.434 3.140 50 0 DGAARO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc(Cl)c1Cl ZINC000096491895 431953537 /nfs/dbraw/zinc/95/35/37/431953537.db2.gz LSIARAVUBVWMJE-VHSXEESVSA-N 1 0 324.273 3.325 50 0 DGAARO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000096490998 431953551 /nfs/dbraw/zinc/95/35/51/431953551.db2.gz CZNAUZLKYAURTG-ZIAGYGMSSA-N 1 0 302.418 3.112 50 0 DGAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C ZINC000096492739 431953744 /nfs/dbraw/zinc/95/37/44/431953744.db2.gz IYBDTAGGJRWYEV-KBPBESRZSA-N 1 0 323.437 3.342 50 0 DGAARO C[C@H](O)CC[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000096497172 431954867 /nfs/dbraw/zinc/95/48/67/431954867.db2.gz ZURSRXBOTPUBGF-NSHDSACASA-N 1 0 323.234 3.200 50 0 DGAARO CN(Cc1ccccc1C(F)(F)F)[C@H](C(N)=O)c1ccccc1 ZINC000096993566 431956619 /nfs/dbraw/zinc/95/66/19/431956619.db2.gz UNBPZTADVNKPEJ-HNNXBMFYSA-N 1 0 322.330 3.364 50 0 DGAARO O[C@]1(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CCSC1 ZINC000097054840 431958789 /nfs/dbraw/zinc/95/87/89/431958789.db2.gz MCDVZWLGTCLHQU-INIZCTEOSA-N 1 0 305.399 3.030 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@@H]1C ZINC000097080720 431959514 /nfs/dbraw/zinc/95/95/14/431959514.db2.gz WHUVVLSTUBWZTE-CKEIUWERSA-N 1 0 309.475 3.146 50 0 DGAARO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000097084466 431960042 /nfs/dbraw/zinc/96/00/42/431960042.db2.gz BKPOULDLTWHMEW-OAHLLOKOSA-N 1 0 307.409 3.028 50 0 DGAARO C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CC(c2cccnc2)C1 ZINC000097087987 431960304 /nfs/dbraw/zinc/96/03/04/431960304.db2.gz UCOPWAKCQYLVTM-CQSZACIVSA-N 1 0 310.397 3.088 50 0 DGAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000097095779 431961273 /nfs/dbraw/zinc/96/12/73/431961273.db2.gz FFJLTUBFEBEPSM-RYUDHWBXSA-N 1 0 311.451 3.069 50 0 DGAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000097159515 431963215 /nfs/dbraw/zinc/96/32/15/431963215.db2.gz XXTMXRRBTVIHGW-GOSISDBHSA-N 1 0 321.428 3.130 50 0 DGAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000097159792 431963277 /nfs/dbraw/zinc/96/32/77/431963277.db2.gz KVMDOQGHTPJHRQ-CYBMUJFWSA-N 1 0 313.401 3.089 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000097159053 431963534 /nfs/dbraw/zinc/96/35/34/431963534.db2.gz GLADDKKTSYLVSK-UHFFFAOYSA-N 1 0 323.444 3.062 50 0 DGAARO Cc1cc(F)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000097164626 431963785 /nfs/dbraw/zinc/96/37/85/431963785.db2.gz NYKMSEWCPHSRLH-HNNXBMFYSA-N 1 0 319.424 3.474 50 0 DGAARO CCc1nnc2n1C[C@H]([NH2+]Cc1c3ccccc3oc1CC)CC2 ZINC000097199586 431964053 /nfs/dbraw/zinc/96/40/53/431964053.db2.gz SVZJIOHNDDYWMP-CYBMUJFWSA-N 1 0 324.428 3.254 50 0 DGAARO Cc1ncc(C[N@@H+]2CC[C@@H](CNc3ccc(C)cn3)C2)s1 ZINC000097200521 431964492 /nfs/dbraw/zinc/96/44/92/431964492.db2.gz PTMXWCKIPYTARM-AWEZNQCLSA-N 1 0 302.447 3.089 50 0 DGAARO Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000097229681 431965508 /nfs/dbraw/zinc/96/55/08/431965508.db2.gz SXJVEAPPUUXQJT-YIONKMFJSA-N 1 0 323.278 3.472 50 0 DGAARO Cn1cc(C2CC[NH+](CCCc3nc4ccccc4o3)CC2)cn1 ZINC000097203243 431965560 /nfs/dbraw/zinc/96/55/60/431965560.db2.gz MCJFJMVUFYVHTL-UHFFFAOYSA-N 1 0 324.428 3.374 50 0 DGAARO C[C@@H](CO)[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000097234070 431965981 /nfs/dbraw/zinc/96/59/81/431965981.db2.gz HBXQXDDKKSURLU-HZMBPMFUSA-N 1 0 310.191 3.102 50 0 DGAARO CCN(Cc1ccccc1NC1CC[NH+](C(C)C)CC1)C(C)=O ZINC000097238253 431966421 /nfs/dbraw/zinc/96/64/21/431966421.db2.gz WQZAHTWCSZOUNP-UHFFFAOYSA-N 1 0 317.477 3.340 50 0 DGAARO Cc1c(O)ccc2c(C[N@H+](C)Cc3ccccc3)cc(=O)oc12 ZINC000054105938 431967483 /nfs/dbraw/zinc/96/74/83/431967483.db2.gz XIVGYNCEYFXQKN-UHFFFAOYSA-N 1 0 309.365 3.439 50 0 DGAARO CC[NH+]1CCC(C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000097360182 431967949 /nfs/dbraw/zinc/96/79/49/431967949.db2.gz VEPIGXBTCFUANR-IBGZPJMESA-N 1 0 323.440 3.019 50 0 DGAARO COc1cccc2ccc(C[N@H+](C)CCc3ccncc3)nc21 ZINC000097463601 431969262 /nfs/dbraw/zinc/96/92/62/431969262.db2.gz UIOLEJZHFYPXQJ-UHFFFAOYSA-N 1 0 307.397 3.313 50 0 DGAARO CC[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C1CCCC1 ZINC000097491335 431969817 /nfs/dbraw/zinc/96/98/17/431969817.db2.gz OFBVSBAMSWMSCA-UHFFFAOYSA-N 1 0 308.388 3.298 50 0 DGAARO Cc1cccc(N2CCC([N@@H+]3CCc4nc[nH]c4C3)CC2)c1C ZINC000097546514 431970449 /nfs/dbraw/zinc/97/04/49/431970449.db2.gz AMEBHPAZNUNTLI-UHFFFAOYSA-N 1 0 310.445 3.054 50 0 DGAARO c1ccc(C[C@H]2CCC[N@H+]2Cc2nc(-c3cccnc3)no2)cc1 ZINC000055528370 431983360 /nfs/dbraw/zinc/98/33/60/431983360.db2.gz AAUSBQQBZZFZIF-QGZVFWFLSA-N 1 0 320.396 3.339 50 0 DGAARO Cc1ccc2nc(C)c(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)cc2c1 ZINC000091526275 281152552 /nfs/dbraw/zinc/15/25/52/281152552.db2.gz KSMDSZRSZMATJP-NVXWUHKLSA-N 1 0 323.440 3.018 50 0 DGAARO Cc1ccc(NC(=O)[C@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)cc1 ZINC000057024244 431990395 /nfs/dbraw/zinc/99/03/95/431990395.db2.gz NTFKDVRIEMNYBT-RTBURBONSA-N 1 0 324.424 3.443 50 0 DGAARO Cc1ccccc1-c1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000097505581 281327211 /nfs/dbraw/zinc/32/72/11/281327211.db2.gz TVCCRNDEBXDWAV-QFBILLFUSA-N 1 0 321.424 3.488 50 0 DGAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)nc1 ZINC000102177532 431991820 /nfs/dbraw/zinc/99/18/20/431991820.db2.gz FKHDOCKYIZHTAX-KRWDZBQOSA-N 1 0 309.413 3.338 50 0 DGAARO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCc2ccccc21 ZINC000057421378 431992348 /nfs/dbraw/zinc/99/23/48/431992348.db2.gz XULYQYLHFKCNJN-HUUCEWRRSA-N 1 0 324.424 3.324 50 0 DGAARO O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058019064 431994790 /nfs/dbraw/zinc/99/47/90/431994790.db2.gz OBZAMLPPWFNKJP-HNNXBMFYSA-N 1 0 307.825 3.432 50 0 DGAARO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000058342731 431996152 /nfs/dbraw/zinc/99/61/52/431996152.db2.gz SYEDHQHNGIXGKO-UHFFFAOYSA-N 1 0 311.376 3.303 50 0 DGAARO CCOC(=O)N1CCC([NH2+]C2(c3ccccc3F)CC2)CC1 ZINC000183158915 432263653 /nfs/dbraw/zinc/26/36/53/432263653.db2.gz QMYALSBKRMLWNE-UHFFFAOYSA-N 1 0 306.381 3.025 50 0 DGAARO C[C@H](O)C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183924092 432334665 /nfs/dbraw/zinc/33/46/65/432334665.db2.gz LAVSZOXLHXLWAD-HZMBPMFUSA-N 1 0 310.191 3.102 50 0 DGAARO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)n1 ZINC000249039862 432335161 /nfs/dbraw/zinc/33/51/61/432335161.db2.gz UNBCKSOTSYHSSG-CHWSQXEVSA-N 1 0 315.339 3.232 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c2ccccc12 ZINC000183642959 432312660 /nfs/dbraw/zinc/31/26/60/432312660.db2.gz OEYAIPVJCRSKLV-GFCCVEGCSA-N 1 0 300.402 3.011 50 0 DGAARO CCc1nc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)cs1 ZINC000192442195 432374605 /nfs/dbraw/zinc/37/46/05/432374605.db2.gz NPAKQPCNROJCGL-CYBMUJFWSA-N 1 0 302.443 3.361 50 0 DGAARO CCN(C)c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cn1 ZINC000252495045 432379800 /nfs/dbraw/zinc/37/98/00/432379800.db2.gz OLPRTAOSWCKHFL-INIZCTEOSA-N 1 0 315.392 3.290 50 0 DGAARO CCOc1cccc(NC(=O)N(CC)CCC[NH+]2CCCC2)c1 ZINC000252509212 432380725 /nfs/dbraw/zinc/38/07/25/432380725.db2.gz YGDOHJBKNIDARP-UHFFFAOYSA-N 1 0 319.449 3.425 50 0 DGAARO Fc1ccc(C[n+]2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000252509412 432381124 /nfs/dbraw/zinc/38/11/24/432381124.db2.gz YNJFOXYEEKFZDC-UHFFFAOYSA-N 1 0 302.760 3.060 50 0 DGAARO C[C@@H](c1ccccn1)[N@H+](C)CC[C@H]1CCCCC12OCCO2 ZINC000252585803 432382989 /nfs/dbraw/zinc/38/29/89/432382989.db2.gz LEVIVGLUNPERDV-JKSUJKDBSA-N 1 0 304.434 3.398 50 0 DGAARO C[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)c1cccc(Cl)c1 ZINC000252584823 432383140 /nfs/dbraw/zinc/38/31/40/432383140.db2.gz DATPRJIPIDVAQW-KMFMINBZSA-N 1 0 320.864 3.434 50 0 DGAARO COc1cc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(C)o2)ccc1F ZINC000253417290 432395501 /nfs/dbraw/zinc/39/55/01/432395501.db2.gz XIJDQQWNWWUYGH-SJCJKPOMSA-N 1 0 307.365 3.294 50 0 DGAARO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2[nH]ccc2s1 ZINC000253424871 432395912 /nfs/dbraw/zinc/39/59/12/432395912.db2.gz OLZNSPLZAAGEEC-UHFFFAOYSA-N 1 0 305.447 3.177 50 0 DGAARO FC(F)c1ccc(C[C@@H]2CC[N@H+](CCC3OCCO3)C2)cc1 ZINC000253430546 432397110 /nfs/dbraw/zinc/39/71/10/432397110.db2.gz JUJPSIQOFTZQTR-AWEZNQCLSA-N 1 0 311.372 3.252 50 0 DGAARO Cc1cccc(NC[C@H]2CCN(c3nnc(C(C)C)s3)C2)[nH+]1 ZINC000153396780 432406838 /nfs/dbraw/zinc/40/68/38/432406838.db2.gz RUNKFUKRBXIYKY-CYBMUJFWSA-N 1 0 317.462 3.303 50 0 DGAARO Cn1cc(C[NH2+][C@H]2CCCNc3ccccc32)c(C(F)(F)F)n1 ZINC000193039763 432442677 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Cc1csc2c1ncnc2N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000192794446 281744800 /nfs/dbraw/zinc/74/48/00/281744800.db2.gz QDZYQUHJFFOMRZ-CQSZACIVSA-N 1 0 316.474 3.454 50 0 DGAARO Cc1csc2c1ncnc2N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000192794525 281744871 /nfs/dbraw/zinc/74/48/71/281744871.db2.gz GGOMXJRNNLILKP-CYBMUJFWSA-N 1 0 302.447 3.064 50 0 DGAARO CCCN(C(=O)CCc1ccc(C)cc1C)C1CC[NH2+]CC1 ZINC000195543727 432625847 /nfs/dbraw/zinc/62/58/47/432625847.db2.gz ARYOGGAPZXXUNG-UHFFFAOYSA-N 1 0 302.462 3.227 50 0 DGAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc(-c2cc[nH]n2)s1 ZINC000216186228 432648047 /nfs/dbraw/zinc/64/80/47/432648047.db2.gz JBMAGFXSDZFMBP-UHFFFAOYSA-N 1 0 313.430 3.371 50 0 DGAARO CC[C@@H](C)Sc1ncc(CN2CC([NH+]3CCCCC3)C2)cn1 ZINC000215326999 432642851 /nfs/dbraw/zinc/64/28/51/432642851.db2.gz XPGPCMMIVYBHNN-CQSZACIVSA-N 1 0 320.506 3.037 50 0 DGAARO C[N@H+](Cc1cnn(-c2cccc(F)c2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000216101499 432646161 /nfs/dbraw/zinc/64/61/61/432646161.db2.gz DNRSPONCXFTKQC-QGZVFWFLSA-N 1 0 317.408 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323210651 /nfs/dbraw/zinc/21/06/51/323210651.db2.gz CFDTTZDAUOGONI-QWHCGFSZSA-N 1 0 305.365 3.224 50 0 DGAARO CC(C)C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccs1 ZINC000129675280 323212838 /nfs/dbraw/zinc/21/28/38/323212838.db2.gz SJCVCSRLCCIBAM-GJZGRUSLSA-N 1 0 323.506 3.428 50 0 DGAARO Cc1cccc(C)c1OCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513302 323491151 /nfs/dbraw/zinc/49/11/51/323491151.db2.gz ZRRUQTUPOBIFMC-UHFFFAOYSA-N 1 0 313.445 3.295 50 0 DGAARO [NH3+][C@H]1CCCCN(C(=O)CCc2ccc(-c3cccs3)o2)C1 ZINC000082092015 331989997 /nfs/dbraw/zinc/98/99/97/331989997.db2.gz JZWPVOJPBDBTFS-ZDUSSCGKSA-N 1 0 318.442 3.281 50 0 DGAARO CC[C@@H](CNC(=O)N(C)Cc1cccc(C)c1C)[N@H+](C)CC ZINC000534574571 334287560 /nfs/dbraw/zinc/28/75/60/334287560.db2.gz XYEPUFNOMJNRAC-KRWDZBQOSA-N 1 0 305.466 3.175 50 0 DGAARO Cc1cccc(-c2cccc(C(=O)N3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])c2)c1 ZINC000534584089 334288130 /nfs/dbraw/zinc/28/81/30/334288130.db2.gz CLEUTPUZZVIUDS-ACDBMABISA-N 1 0 320.436 3.471 50 0 DGAARO 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545842958 /nfs/dbraw/zinc/84/29/58/545842958.db2.gz JJBFGKBEQVZGOM-HNNXBMFYSA-N 1 0 322.412 3.346 50 0 DGAARO COCc1cc(C[N@H+](C)Cc2ccncc2C)ccc1OC ZINC000214951557 546260308 /nfs/dbraw/zinc/26/03/08/546260308.db2.gz NICMHWHXHUCQFU-UHFFFAOYSA-N 1 0 300.402 3.177 50 0 DGAARO CN(Cc1cc2cc(F)ccc2n1C)C[C@@]1(C)CC[N@H+](C)C1 ZINC000215007108 546260327 /nfs/dbraw/zinc/26/03/27/546260327.db2.gz YJJIAAOOUHWFLV-SFHVURJKSA-N 1 0 303.425 3.091 50 0 DGAARO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](CCC2CCCCCC2)CC1 ZINC000263486438 546341828 /nfs/dbraw/zinc/34/18/28/546341828.db2.gz HLLQZVCHBFJKTH-KRWDZBQOSA-N 1 0 310.482 3.218 50 0 DGAARO COc1cc([C@@H](C)[NH2+]Cc2cc(C)ccn2)cc(OC)c1OC ZINC000328086140 546479761 /nfs/dbraw/zinc/47/97/61/546479761.db2.gz HNPJHNHUDLXODN-CYBMUJFWSA-N 1 0 316.401 3.267 50 0 DGAARO COc1ccccc1C[NH2+]Cc1ccccc1OCCCCO ZINC000585117631 547024916 /nfs/dbraw/zinc/02/49/16/547024916.db2.gz OKHMZHIAKLNYKY-UHFFFAOYSA-N 1 0 315.413 3.136 50 0 DGAARO [NH3+]C1(C(=O)NCc2sc3ccccc3c2Cl)CCCC1 ZINC000670443538 547754660 /nfs/dbraw/zinc/75/46/60/547754660.db2.gz JMFSLMWOYMHZFO-UHFFFAOYSA-N 1 0 308.834 3.442 50 0 DGAARO C[N@H+](Cc1ccc2c(c1)CCO2)Cc1cnc2ccccc2n1 ZINC000670443516 547754773 /nfs/dbraw/zinc/75/47/73/547754773.db2.gz YSQVGGXGEOBDEW-UHFFFAOYSA-N 1 0 305.381 3.197 50 0 DGAARO CCCc1nc(C(=O)N[C@@H](C[NH+]2CCCC2)C(C)(C)C)cs1 ZINC000670456152 547756803 /nfs/dbraw/zinc/75/68/03/547756803.db2.gz JKJSETTXZZQMEK-AWEZNQCLSA-N 1 0 323.506 3.336 50 0 DGAARO COc1cc(SC)c(OC)cc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000670462526 547757713 /nfs/dbraw/zinc/75/77/13/547757713.db2.gz QMRGLEURYOIQAH-ZDUSSCGKSA-N 1 0 311.447 3.037 50 0 DGAARO CCOC(=O)N1CCC([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000670466137 547758426 /nfs/dbraw/zinc/75/84/26/547758426.db2.gz LSJXJMBUGCQTEY-HNNXBMFYSA-N 1 0 320.408 3.236 50 0 DGAARO C[C@@]1(C[NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)CCCO1 ZINC000670473440 547759289 /nfs/dbraw/zinc/75/92/89/547759289.db2.gz VIJSPZVSSGSRDQ-KRWDZBQOSA-N 1 0 310.388 3.092 50 0 DGAARO OC1(c2ccccn2)CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000670471451 547759406 /nfs/dbraw/zinc/75/94/06/547759406.db2.gz DWKLZGFIWVPTJJ-ONEGZZNKSA-N 1 0 312.388 3.218 50 0 DGAARO CC[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000888096438 618625118 /nfs/dbraw/zinc/62/51/18/618625118.db2.gz GKMKJXITYCCMPE-INIZCTEOSA-N 1 0 319.449 3.161 50 0 DGAARO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1coc2ccccc21 ZINC000863982330 621724318 /nfs/dbraw/zinc/72/43/18/621724318.db2.gz CJCBTSMQCGDKEM-CQSZACIVSA-N 1 0 302.418 3.194 50 0 DGAARO COC1([C@H]([NH2+]C[C@H](C)O)c2cccc(C(F)(F)F)c2)CCC1 ZINC000863983631 621724748 /nfs/dbraw/zinc/72/47/48/621724748.db2.gz KDZBLVWPCXGIPK-SMDDNHRTSA-N 1 0 317.351 3.286 50 0 DGAARO c1cn2cc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)nc2s1 ZINC000885944793 627065915 /nfs/dbraw/zinc/06/59/15/627065915.db2.gz UXKLBODIZAVKKW-CYBMUJFWSA-N 1 0 305.447 3.367 50 0 DGAARO O=C(c1cccc(C[NH2+]C/C=C\c2ccco2)c1)N1CCCC1 ZINC000221690356 627223583 /nfs/dbraw/zinc/22/35/83/627223583.db2.gz VARABESNJATTOP-YWEYNIOJSA-N 1 0 310.397 3.319 50 0 DGAARO c1nnc(C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000257196481 660337896 /nfs/dbraw/zinc/33/78/96/660337896.db2.gz YHKZXLITLJERLB-GOSISDBHSA-N 1 0 318.424 3.332 50 0 DGAARO CN1C[C@@H]2C[C@@H](c3ccccc3-c3ccco3)[N@@H+]3CCC[C@@]23C1=O ZINC000012074792 660495347 /nfs/dbraw/zinc/49/53/47/660495347.db2.gz IPQBQTJGKGRWEB-VHFSOBRXSA-N 1 0 322.408 3.314 50 0 DGAARO COC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000012443270 660597290 /nfs/dbraw/zinc/59/72/90/660597290.db2.gz HRVGNMPMTZRIGH-AWEZNQCLSA-N 1 0 317.408 3.085 50 0 DGAARO Cc1oc(-c2cc(F)ccc2F)nc1CN(C)[C@@H]1CCOC1 ZINC000012594114 660948278 /nfs/dbraw/zinc/94/82/78/660948278.db2.gz RJZQGNAMJIOOHG-GFCCVEGCSA-N 1 0 308.328 3.149 50 0 DGAARO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000093687907 656372726 /nfs/dbraw/zinc/37/27/26/656372726.db2.gz KJYUOSXWVRUSEG-KRWDZBQOSA-N 1 0 313.397 3.188 50 0 DGAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000014973145 658006323 /nfs/dbraw/zinc/00/63/23/658006323.db2.gz NSXDVWXMXAXCJO-LJQANCHMSA-N 1 0 316.420 3.050 50 0 DGAARO OCC[C@@H]([NH2+]CC1=Cc2cc(Cl)ccc2OC1)c1ccco1 ZINC000184506569 660170408 /nfs/dbraw/zinc/17/04/08/660170408.db2.gz VDOKNQTVRJXGJN-OAHLLOKOSA-N 1 0 319.788 3.422 50 0 DGAARO CC(C)(C)c1cc(C[NH2+]Cc2ccccc2-n2ccnc2)[nH]n1 ZINC000952962897 662208432 /nfs/dbraw/zinc/20/84/32/662208432.db2.gz GKMUHFVDHACHGP-UHFFFAOYSA-N 1 0 309.417 3.183 50 0 DGAARO CCOc1ccc([C@H](CC)[NH2+]Cc2cnc(OC)nc2)cc1 ZINC000952965244 662208898 /nfs/dbraw/zinc/20/88/98/662208898.db2.gz QXBLESCTWCBDLP-INIZCTEOSA-N 1 0 301.390 3.125 50 0 DGAARO Cc1c2ccccc2oc1CNCCC[N@@H+]1CCCC[C@@H]1CO ZINC000952967992 662208964 /nfs/dbraw/zinc/20/89/64/662208964.db2.gz IURFHKSLLGIVDB-MRXNPFEDSA-N 1 0 316.445 3.068 50 0 DGAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952965672 662209044 /nfs/dbraw/zinc/20/90/44/662209044.db2.gz BHKMJAIALRJWQK-UHFFFAOYSA-N 1 0 316.792 3.224 50 0 DGAARO O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)C1CC[NH+](Cc2ccco2)CC1 ZINC000952967756 662209120 /nfs/dbraw/zinc/20/91/20/662209120.db2.gz LEUMEUDGDQNNEY-WBAXXEDZSA-N 1 0 316.445 3.187 50 0 DGAARO C[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1nc2ccccc2[nH]1 ZINC000952981917 662210167 /nfs/dbraw/zinc/21/01/67/662210167.db2.gz YZQHTYGFIUHZOU-AWEZNQCLSA-N 1 0 324.428 3.471 50 0 DGAARO C[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000952982598 662210398 /nfs/dbraw/zinc/21/03/98/662210398.db2.gz ZHZYQFQVYDTJDW-LBPRGKRZSA-N 1 0 300.358 3.034 50 0 DGAARO Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1cnc(-c2ccccn2)nc1 ZINC000067894946 685057473 /nfs/dbraw/zinc/05/74/73/685057473.db2.gz VPYHMNQLIRYHRV-AWEZNQCLSA-N 1 0 322.416 3.072 50 0 DGAARO Cc1n[nH]cc1CN(C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC001506400393 1186221340 /nfs/dbraw/zinc/22/13/40/1186221340.db2.gz UMTSLHLJUVNQDS-UHFFFAOYSA-N 1 0 316.792 3.257 50 0 DGAARO Cc1cc(F)ccc1N1CCC([N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)CC1 ZINC001506399798 1186221354 /nfs/dbraw/zinc/22/13/54/1186221354.db2.gz QCBQUKAVBWBRFF-PIIMJCKOSA-N 1 0 318.436 3.091 50 0 DGAARO C[N@H+](CCn1cc(Cl)cn1)CCn1ccc2ccccc21 ZINC001506401989 1186221648 /nfs/dbraw/zinc/22/16/48/1186221648.db2.gz LHIOCYTYKCHDJQ-UHFFFAOYSA-N 1 0 302.809 3.123 50 0 DGAARO Cc1cc(C)n(CC2(C[NH2+][C@H](C)CN3CCCCCC3)CC2)n1 ZINC001506404003 1186222837 /nfs/dbraw/zinc/22/28/37/1186222837.db2.gz DQCKPCKAHRODAZ-QGZVFWFLSA-N 1 0 318.509 3.134 50 0 DGAARO CCc1nccn1C[C@@H](C)[NH2+]CCc1nc2ccccc2s1 ZINC001506414272 1186224175 /nfs/dbraw/zinc/22/41/75/1186224175.db2.gz QGHZEKXPCKKQOM-CYBMUJFWSA-N 1 0 314.458 3.276 50 0 DGAARO c1coc(CN2CCC([NH2+]CCn3ccc4ccccc43)CC2)c1 ZINC001506422033 1186226381 /nfs/dbraw/zinc/22/63/81/1186226381.db2.gz ZQMIDZZNUSJBJN-UHFFFAOYSA-N 1 0 323.440 3.489 50 0 DGAARO Cc1cc(NC[C@H]2CC(=O)N(C3CCCC3)C2)c2ccccc2[nH+]1 ZINC001529155591 1187537256 /nfs/dbraw/zinc/53/72/56/1187537256.db2.gz VARKVCQHQGROSH-OAHLLOKOSA-N 1 0 323.440 3.168 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2ccc3cc(F)ccc3n2)C1 ZINC001704356784 1202522990 /nfs/dbraw/zinc/52/29/90/1202522990.db2.gz KNSXOWXNUGPDBT-CQSZACIVSA-N 1 0 313.420 3.433 50 0 DGAARO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@@H+]1CCCc1ccccc1 ZINC000675011228 1083440852 /nfs/dbraw/zinc/44/08/52/1083440852.db2.gz QXOOALCSRWSDHA-SJORKVTESA-N 1 0 323.440 3.055 50 0 DGAARO C[C@@H](Cn1cccn1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000821746046 1091649424 /nfs/dbraw/zinc/64/94/24/1091649424.db2.gz MLPLXRHAFFERLO-AWEZNQCLSA-N 1 0 310.401 3.292 50 0 DGAARO COc1ncc(C[N@H+](CCc2ccccc2)C2CCCC2)cn1 ZINC000824851753 1091728642 /nfs/dbraw/zinc/72/86/42/1091728642.db2.gz CPHSYUCFGXGZSX-UHFFFAOYSA-N 1 0 311.429 3.473 50 0 DGAARO O=C(NCCc1ccc(F)cc1)C1([NH+]2CCCC2)CCCCC1 ZINC000826583753 1091754722 /nfs/dbraw/zinc/75/47/22/1091754722.db2.gz YAKAVVVIMPXSQN-UHFFFAOYSA-N 1 0 318.436 3.283 50 0 DGAARO O=C(N[C@H]1CCc2ccccc2C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000828166305 1091816192 /nfs/dbraw/zinc/81/61/92/1091816192.db2.gz ACFNNSOPVCABNQ-KRWDZBQOSA-N 1 0 324.424 3.163 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccnc3)CC2)CC1 ZINC000581788204 1092272846 /nfs/dbraw/zinc/27/28/46/1092272846.db2.gz XNPUVMLZTHKXOX-KRWDZBQOSA-N 1 0 315.461 3.056 50 0 DGAARO O=C(Nc1ccccc1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581788087 1092273035 /nfs/dbraw/zinc/27/30/35/1092273035.db2.gz SLOHHBSLWBELID-INIZCTEOSA-N 1 0 301.434 3.416 50 0 DGAARO CC(C)C[N@H+](C1CN(Cc2ccc(F)cc2)C1)C1CCOCC1 ZINC000581794336 1092279006 /nfs/dbraw/zinc/27/90/06/1092279006.db2.gz ABKJXOOASAPOSY-UHFFFAOYSA-N 1 0 320.452 3.147 50 0 DGAARO CCC(=O)N1CCC(Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000581810081 1092280646 /nfs/dbraw/zinc/28/06/46/1092280646.db2.gz POHPNCQQWXAFNY-UHFFFAOYSA-N 1 0 314.473 3.474 50 0 DGAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000581807749 1092281699 /nfs/dbraw/zinc/28/16/99/1092281699.db2.gz NNTFNEXUQAWJDX-QGZVFWFLSA-N 1 0 309.413 3.005 50 0 DGAARO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)COC(C)C ZINC000585125264 1095022002 /nfs/dbraw/zinc/02/20/02/1095022002.db2.gz LWDIHOPFFRPNDI-INIZCTEOSA-N 1 0 306.450 3.012 50 0 DGAARO CCC[N@@H+]1CCC[C@@H](c2nc(Cc3ccc(OC)cc3)no2)C1 ZINC000952849303 1096779426 /nfs/dbraw/zinc/77/94/26/1096779426.db2.gz NQFRFGOXJZBKAG-OAHLLOKOSA-N 1 0 315.417 3.258 50 0 DGAARO O=C1C[C@@H](C[NH2+]CC2Cc3ccccc3C2)c2ccccc2N1 ZINC000952846193 1096779655 /nfs/dbraw/zinc/77/96/55/1096779655.db2.gz PMWMTDZMIGGHLR-KRWDZBQOSA-N 1 0 306.409 3.117 50 0 DGAARO CCCOc1c(Cl)cccc1NC(=O)[C@H]1[C@@H]([NH3+])[C@H]2C=C[C@@H]1C2 ZINC000952861464 1096781774 /nfs/dbraw/zinc/78/17/74/1096781774.db2.gz GVIOZEHYDMTZPW-BVIHXZOGSA-N 1 0 320.820 3.217 50 0 DGAARO COC1(OC)CC([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000952882818 1096786273 /nfs/dbraw/zinc/78/62/73/1096786273.db2.gz KTQBSGFVPBXIJI-UHFFFAOYSA-N 1 0 306.793 3.129 50 0 DGAARO CCCc1nc(C)c(CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000095529789 185378949 /nfs/dbraw/zinc/37/89/49/185378949.db2.gz HHNKNIHPKBDSAG-CQSZACIVSA-N 1 0 323.506 3.141 50 0 DGAARO C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H]1[NH+](C)C ZINC000078894686 185124083 /nfs/dbraw/zinc/12/40/83/185124083.db2.gz OZBWYDQQGBEAPK-MFKMUULPSA-N 1 0 306.793 3.108 50 0 DGAARO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000078934586 185131220 /nfs/dbraw/zinc/13/12/20/185131220.db2.gz BOEOJBMQOMBPBY-FDMDGMSGSA-N 1 0 304.409 3.029 50 0 DGAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000079333455 185165461 /nfs/dbraw/zinc/16/54/61/185165461.db2.gz XPXAVFBITOBTMK-UHFFFAOYSA-N 1 0 312.348 3.334 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2csc(C3CC3)n2)[C@@H](CC)C1 ZINC000089949162 185270961 /nfs/dbraw/zinc/27/09/61/185270961.db2.gz ZUJJUNHZHFKKHQ-SWLSCSKDSA-N 1 0 321.490 3.147 50 0 DGAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)s1 ZINC000082039555 192353441 /nfs/dbraw/zinc/35/34/41/192353441.db2.gz HTJSOABHXIYFJT-AWEZNQCLSA-N 1 0 322.474 3.013 50 0 DGAARO Cc1ncnc(N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c1C ZINC000072132074 282225000 /nfs/dbraw/zinc/22/50/00/282225000.db2.gz XCJDUVHYPIFGLP-SFHVURJKSA-N 1 0 316.493 3.288 50 0 DGAARO CCC[C@@H]1CN(C(=O)Cc2ccc(SC)cc2)C[C@H]1[NH+](C)C ZINC000082097840 192355260 /nfs/dbraw/zinc/35/52/60/192355260.db2.gz LOXZZKZPGUJFCB-NVXWUHKLSA-N 1 0 320.502 3.140 50 0 DGAARO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc(Cl)c1OC ZINC000092616076 185329368 /nfs/dbraw/zinc/32/93/68/185329368.db2.gz UTZCLECNDDYBPM-CQSZACIVSA-N 1 0 324.852 3.027 50 0 DGAARO Cc1cccc(OCCCN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000095394204 185352106 /nfs/dbraw/zinc/35/21/06/185352106.db2.gz ZQAOBMFSSZJUJN-SFHVURJKSA-N 1 0 302.462 3.324 50 0 DGAARO CC(C)c1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)c(C(C)C)c1 ZINC000095403635 185355194 /nfs/dbraw/zinc/35/51/94/185355194.db2.gz ALPYNXZYCIZHFJ-HNNXBMFYSA-N 1 0 304.434 3.250 50 0 DGAARO CCOc1ccccc1CCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000095408049 185356514 /nfs/dbraw/zinc/35/65/14/185356514.db2.gz BVBCURZBNLCSLC-SJORKVTESA-N 1 0 318.461 3.007 50 0 DGAARO c1ccc2c(c1)OCC[C@H]2C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000095412240 185357723 /nfs/dbraw/zinc/35/77/23/185357723.db2.gz UAEFOSUNYMLHEX-KRWDZBQOSA-N 1 0 323.440 3.338 50 0 DGAARO C[C@@H](Cc1nc2ccccc2s1)[NH2+]CCCn1ccnc1 ZINC000095419106 185359898 /nfs/dbraw/zinc/35/98/98/185359898.db2.gz NSFQWDUXIOZWMG-ZDUSSCGKSA-N 1 0 300.431 3.104 50 0 DGAARO COc1cc(C[NH2+][C@@H]2CSCCc3ccccc32)ccn1 ZINC000095420006 185360043 /nfs/dbraw/zinc/36/00/43/185360043.db2.gz AHZGCULIEKKRDO-MRXNPFEDSA-N 1 0 300.427 3.210 50 0 DGAARO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000095420499 185360143 /nfs/dbraw/zinc/36/01/43/185360143.db2.gz WNNDRCJAHWBGGP-OCCSQVGLSA-N 1 0 318.358 3.231 50 0 DGAARO C[C@@H]([NH2+]C[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 ZINC000095423306 185361267 /nfs/dbraw/zinc/36/12/67/185361267.db2.gz YUSBSWRTCZQGOW-BZNIZROVSA-N 1 0 311.328 3.439 50 0 DGAARO C[C@@H](CCCO)[NH2+]Cc1cc(Br)ccc1Cl ZINC000095425781 185361629 /nfs/dbraw/zinc/36/16/29/185361629.db2.gz VXMKHTBCFRPZRX-VIFPVBQESA-N 1 0 306.631 3.353 50 0 DGAARO Cc1ccc(C[NH+](C)C)cc1NCc1ccc([S@](C)=O)cc1 ZINC000095429317 185362549 /nfs/dbraw/zinc/36/25/49/185362549.db2.gz QQGMRXPAVWNXOB-JOCHJYFZSA-N 1 0 316.470 3.406 50 0 DGAARO Cc1cc(C)nc(NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000097008951 185396604 /nfs/dbraw/zinc/39/66/04/185396604.db2.gz BDGKXRHCXYNLBM-AWEZNQCLSA-N 1 0 302.447 3.404 50 0 DGAARO C[C@H]([NH2+]C[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 ZINC000095423305 185361120 /nfs/dbraw/zinc/36/11/20/185361120.db2.gz YUSBSWRTCZQGOW-ZBEGNZNMSA-N 1 0 311.328 3.439 50 0 DGAARO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000095446907 185367819 /nfs/dbraw/zinc/36/78/19/185367819.db2.gz XSOXYMCLBXLXSF-QMTHXVAHSA-N 1 0 309.793 3.227 50 0 DGAARO OCc1ccccc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000095437362 185365458 /nfs/dbraw/zinc/36/54/58/185365458.db2.gz SVFXVOYEZRYQTF-UHFFFAOYSA-N 1 0 311.303 3.209 50 0 DGAARO CC(C)Oc1ccccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000095466219 185371840 /nfs/dbraw/zinc/37/18/40/185371840.db2.gz HJSNSLVFXZGHHX-HOCLYGCPSA-N 1 0 317.433 3.032 50 0 DGAARO Cc1ccc(CN(CC[NH+](C)C)Cc2cccc(C)n2)s1 ZINC000063846409 432007472 /nfs/dbraw/zinc/00/74/72/432007472.db2.gz WKSYZZKMGFEKPG-UHFFFAOYSA-N 1 0 303.475 3.324 50 0 DGAARO COc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc(Cl)c1OC ZINC000095457716 185370349 /nfs/dbraw/zinc/37/03/49/185370349.db2.gz STTWXGBGCLCVGD-NWDGAFQWSA-N 1 0 313.825 3.262 50 0 DGAARO Cc1cc2ncn(C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)c2cc1C ZINC000063868687 432007588 /nfs/dbraw/zinc/00/75/88/432007588.db2.gz PHZUGMWKCDKDLB-RTBURBONSA-N 1 0 313.445 3.033 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000097159041 185417053 /nfs/dbraw/zinc/41/70/53/185417053.db2.gz KENDUAXKCVPNIW-OAHLLOKOSA-N 1 0 307.825 3.020 50 0 DGAARO Cc1ccc(C)c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000169781436 197753859 /nfs/dbraw/zinc/75/38/59/197753859.db2.gz NTYNRFZZOXAWLV-QGZVFWFLSA-N 1 0 300.446 3.107 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000021556537 282377923 /nfs/dbraw/zinc/37/79/23/282377923.db2.gz VYPOIPOBTXTHAI-LBPRGKRZSA-N 1 0 321.446 3.201 50 0 DGAARO CC(C)CC[N@@H+]1CCN(Cc2ccccc2Cl)C[C@H]1CCO ZINC000104297411 432016248 /nfs/dbraw/zinc/01/62/48/432016248.db2.gz IGHOOLCYHLFTPZ-QGZVFWFLSA-N 1 0 324.896 3.255 50 0 DGAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H](C)c1ccccn1 ZINC000106853085 432022700 /nfs/dbraw/zinc/02/27/00/432022700.db2.gz GMUXCGUQLIDVPV-CVEARBPZSA-N 1 0 318.465 3.049 50 0 DGAARO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCc4sccc43)C2)cn1 ZINC000095423279 282651417 /nfs/dbraw/zinc/65/14/17/282651417.db2.gz NMZVOGFKFHVBHE-XJKSGUPXSA-N 1 0 316.474 3.118 50 0 DGAARO CC[NH+]1CCC(Cc2nn3c(nnc3C3CCCC3)s2)CC1 ZINC000071715005 191010464 /nfs/dbraw/zinc/01/04/64/191010464.db2.gz LKFXKJMSAAMMOJ-UHFFFAOYSA-N 1 0 319.478 3.118 50 0 DGAARO Cc1cc(CNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)ccc1F ZINC000072125683 191042205 /nfs/dbraw/zinc/04/22/05/191042205.db2.gz HVERADVTMMYYBQ-HNNXBMFYSA-N 1 0 312.388 3.141 50 0 DGAARO CC[C@H]1CN(Cc2ccnn2-c2ccccc2)CC[N@@H+]1C(C)C ZINC000072143930 191051404 /nfs/dbraw/zinc/05/14/04/191051404.db2.gz BCQJQCLKWLCLQD-KRWDZBQOSA-N 1 0 312.461 3.177 50 0 DGAARO CCc1cc(NCCC2CC[NH+](C(C)C)CC2)n2nccc2n1 ZINC000072172554 191069732 /nfs/dbraw/zinc/06/97/32/191069732.db2.gz DAAZRYFBRPTYHC-UHFFFAOYSA-N 1 0 315.465 3.214 50 0 DGAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2cccs2)n1 ZINC000072282342 191102951 /nfs/dbraw/zinc/10/29/51/191102951.db2.gz APCPMVDYDWJSDV-GXTWGEPZSA-N 1 0 303.431 3.072 50 0 DGAARO Cc1nscc1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000179686100 186205221 /nfs/dbraw/zinc/20/52/21/186205221.db2.gz FUYZCGIETWTHKI-LBPRGKRZSA-N 1 0 317.458 3.311 50 0 DGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000072298425 191112623 /nfs/dbraw/zinc/11/26/23/191112623.db2.gz RLCILXMCEDSTCS-KRWDZBQOSA-N 1 0 315.417 3.087 50 0 DGAARO Cc1cc(N2CCC(NC(=O)CC3CCCC3)CC2)cc[nH+]1 ZINC000225594276 186280809 /nfs/dbraw/zinc/28/08/09/186280809.db2.gz JIVMNHJYANUMEV-UHFFFAOYSA-N 1 0 301.434 3.055 50 0 DGAARO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000237458700 186292788 /nfs/dbraw/zinc/29/27/88/186292788.db2.gz KEBKVTUKVJBCFJ-IVZWLZJFSA-N 1 0 301.217 3.298 50 0 DGAARO Cc1c2ccccc2sc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237460185 186293047 /nfs/dbraw/zinc/29/30/47/186293047.db2.gz ALYHZCFIVKTTSE-STQMWFEESA-N 1 0 302.443 3.409 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000237469810 186294667 /nfs/dbraw/zinc/29/46/67/186294667.db2.gz GXWJIBMQAIVFLU-WDEREUQCSA-N 1 0 315.244 3.122 50 0 DGAARO C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000072332241 191124807 /nfs/dbraw/zinc/12/48/07/191124807.db2.gz PBRAQELYLNUUQB-UHFFFAOYSA-N 1 0 305.381 3.069 50 0 DGAARO CN(C)C(C)(C)C[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000067183019 432028001 /nfs/dbraw/zinc/02/80/01/432028001.db2.gz ZYMGTYVHOFZOSB-UHFFFAOYSA-N 1 0 312.417 3.253 50 0 DGAARO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072431673 191165046 /nfs/dbraw/zinc/16/50/46/191165046.db2.gz AEXWPFOOAVKKHX-LJQANCHMSA-N 1 0 315.461 3.086 50 0 DGAARO Cc1cc(C[C@@H]2CC[C@H](C[N@@H+](C)Cc3ccoc3)O2)ccn1 ZINC000072448342 191169949 /nfs/dbraw/zinc/16/99/49/191169949.db2.gz TVNFLHKYBXIBLY-ZWKOTPCHSA-N 1 0 300.402 3.205 50 0 DGAARO Cc1cc2nc(C(C)C)cc(NCC[C@H]3CCC[N@@H+]3C)n2n1 ZINC000072469710 191175697 /nfs/dbraw/zinc/17/56/97/191175697.db2.gz FPDUKKRGYLQMNU-CQSZACIVSA-N 1 0 301.438 3.057 50 0 DGAARO C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000000283512 180747242 /nfs/dbraw/zinc/74/72/42/180747242.db2.gz DPHZTCZRKHWRBE-YOEHRIQHSA-N 1 0 304.409 3.162 50 0 DGAARO Cc1noc(C)c1CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000107320587 432030069 /nfs/dbraw/zinc/03/00/69/432030069.db2.gz GVFWULMXECQVCA-UHFFFAOYSA-N 1 0 300.402 3.337 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1Cn1ccnc1-c1ccc(OC)c(OC)c1 ZINC000067432764 432030147 /nfs/dbraw/zinc/03/01/47/432030147.db2.gz QRZCNKMFOXMZLI-OAHLLOKOSA-N 1 0 315.417 3.052 50 0 DGAARO CCCc1ccc(C(=O)N[C@@H](C)CC2=CCC[N@H+](C)C2)cc1 ZINC000067446785 432030705 /nfs/dbraw/zinc/03/07/05/432030705.db2.gz PLAAMSWSEOQSKG-HNNXBMFYSA-N 1 0 300.446 3.409 50 0 DGAARO C[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000089905062 299201266 /nfs/dbraw/zinc/20/12/66/299201266.db2.gz WSOBWNKYEJGMLB-SCLBCKFNSA-N 1 0 300.446 3.083 50 0 DGAARO C[C@H](c1ccccn1)[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067604734 432033530 /nfs/dbraw/zinc/03/35/30/432033530.db2.gz XYLOWRASVHFOEN-MRXNPFEDSA-N 1 0 323.440 3.379 50 0 DGAARO Cc1ccc(C)c(-c2n[nH]cc2CN2[C@@H]3CC[C@H]2C[NH2+]CC3)c1 ZINC000067678058 432034293 /nfs/dbraw/zinc/03/42/93/432034293.db2.gz JIBMTSGZBXIPRR-SJORKVTESA-N 1 0 310.445 3.020 50 0 DGAARO CC[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1cc(C)ccc1-n1cccn1 ZINC000067696822 432035042 /nfs/dbraw/zinc/03/50/42/432035042.db2.gz LCVOJBVQTIBJTR-QGZVFWFLSA-N 1 0 321.428 3.413 50 0 DGAARO CO[C@@H](C)c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC000067692706 432035102 /nfs/dbraw/zinc/03/51/02/432035102.db2.gz AMNJYPNFYCGDBU-INIZCTEOSA-N 1 0 310.441 3.466 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000003341072 181008212 /nfs/dbraw/zinc/00/82/12/181008212.db2.gz XAXHIPVGEGGUJJ-INIZCTEOSA-N 1 0 308.381 3.466 50 0 DGAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](CC2CCC2)CC1 ZINC000067713029 432036045 /nfs/dbraw/zinc/03/60/45/432036045.db2.gz CROKKDNTZNGRCK-UHFFFAOYSA-N 1 0 318.465 3.305 50 0 DGAARO CCC[NH+]1CCC(Cc2noc(CCC(F)(F)F)n2)CC1 ZINC000067713127 432036280 /nfs/dbraw/zinc/03/62/80/432036280.db2.gz IWOMZYZSDJATOL-UHFFFAOYSA-N 1 0 305.344 3.229 50 0 DGAARO CC(C)(c1ccccc1)c1ccc(OCCC[NH2+]CCO)cc1 ZINC000003461925 181023854 /nfs/dbraw/zinc/02/38/54/181023854.db2.gz QRRHKNMIDAJCCI-UHFFFAOYSA-N 1 0 313.441 3.363 50 0 DGAARO Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C2)sc1C ZINC000067739930 432037561 /nfs/dbraw/zinc/03/75/61/432037561.db2.gz YUYIBXHSTFOOAD-KRWDZBQOSA-N 1 0 315.486 3.167 50 0 DGAARO Fc1cccc(-c2n[nH]c3c2C[N@@H+](C2CCSCC2)CC3)c1 ZINC000019334893 283012347 /nfs/dbraw/zinc/01/23/47/283012347.db2.gz OXZRZWACZRTUSP-UHFFFAOYSA-N 1 0 317.433 3.470 50 0 DGAARO Cc1ccc[n+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)c1 ZINC000004531262 181120177 /nfs/dbraw/zinc/12/01/77/181120177.db2.gz QDZONAZEMYQLHN-QGZVFWFLSA-N 1 0 317.412 3.452 50 0 DGAARO Cc1ccc(C)c(CCNc2cc(C3CC[NH2+]CC3)ncn2)c1 ZINC000067755741 432039273 /nfs/dbraw/zinc/03/92/73/432039273.db2.gz RODZFWFBRLVTHA-UHFFFAOYSA-N 1 0 310.445 3.215 50 0 DGAARO CCOCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 ZINC000067769765 432039198 /nfs/dbraw/zinc/03/91/98/432039198.db2.gz CAODNGDYIFYZIF-OAHLLOKOSA-N 1 0 307.459 3.340 50 0 DGAARO CC(C)=CC(=O)NC[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000067754798 432039496 /nfs/dbraw/zinc/03/94/96/432039496.db2.gz XQQIINPXLANQCE-MRXNPFEDSA-N 1 0 323.440 3.139 50 0 DGAARO CC[C@H]([NH2+][C@H](C)Cn1cc(Br)cn1)c1ccncc1 ZINC000163711633 432040018 /nfs/dbraw/zinc/04/00/18/432040018.db2.gz KNQAJUOKOIXNTA-RISCZKNCSA-N 1 0 323.238 3.170 50 0 DGAARO Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)cc1 ZINC000004700084 181139338 /nfs/dbraw/zinc/13/93/38/181139338.db2.gz SJUUGEUPOQUAFX-UHFFFAOYSA-N 1 0 300.446 3.266 50 0 DGAARO CCCC[C@@H](CC)C[NH2+]Cc1cccn1CCN1CCOCC1 ZINC000004681296 181135733 /nfs/dbraw/zinc/13/57/33/181135733.db2.gz CHQDZNDCTFEWOO-GOSISDBHSA-N 1 0 321.509 3.126 50 0 DGAARO Cc1cccnc1C[N@@H+](C)C[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000067818429 432042538 /nfs/dbraw/zinc/04/25/38/432042538.db2.gz PKQXIBMRQBOJPI-IBGZPJMESA-N 1 0 314.404 3.319 50 0 DGAARO CCOc1ccc(I)cc1C[NH2+]C(C)C ZINC000004851985 181163029 /nfs/dbraw/zinc/16/30/29/181163029.db2.gz OZFCPOBUFPLBPX-UHFFFAOYSA-N 1 0 319.186 3.188 50 0 DGAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)Cc2ccccn2)cc1 ZINC000067851160 432044340 /nfs/dbraw/zinc/04/43/40/432044340.db2.gz ROIOEQLHVAPGNQ-LJQANCHMSA-N 1 0 323.440 3.049 50 0 DGAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[NH2+]C[C@@H]1C ZINC000067908584 432044795 /nfs/dbraw/zinc/04/47/95/432044795.db2.gz QNECMDPKDGUOOX-NSHDSACASA-N 1 0 305.809 3.097 50 0 DGAARO COc1nccnc1Oc1cccc(C[NH+]2CCCC2)c1F ZINC000067908347 432045492 /nfs/dbraw/zinc/04/54/92/432045492.db2.gz 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302.443 3.018 50 0 DGAARO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049833 183029919 /nfs/dbraw/zinc/02/99/19/183029919.db2.gz JSHQYXIKYNOEOR-IEBWSBKVSA-N 1 0 311.425 3.354 50 0 DGAARO Cc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c(C)c1 ZINC000039420575 183018538 /nfs/dbraw/zinc/01/85/38/183018538.db2.gz HKBIHPBGCOCYOO-LJQANCHMSA-N 1 0 318.505 3.218 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cccnc1)c1ccsc1 ZINC000040091431 183033597 /nfs/dbraw/zinc/03/35/97/183033597.db2.gz OXQGLPHWGPCGCZ-OAHLLOKOSA-N 1 0 318.446 3.348 50 0 DGAARO CSCC[C@H]([NH3+])C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000040464401 183071989 /nfs/dbraw/zinc/07/19/89/183071989.db2.gz SLXNGALNGHFUQM-NSHDSACASA-N 1 0 321.273 3.032 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000040596173 183106873 /nfs/dbraw/zinc/10/68/73/183106873.db2.gz HCPCTRUUGIKTQN-JTQLQIEISA-N 1 0 301.217 3.065 50 0 DGAARO O=C(OCc1ccccc1)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782918 183309260 /nfs/dbraw/zinc/30/92/60/183309260.db2.gz SHFMIPAQYBLKGY-GOSISDBHSA-N 1 0 311.381 3.174 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)cc1F ZINC000042796651 183309793 /nfs/dbraw/zinc/30/97/93/183309793.db2.gz NOFMNCSGFNZMGD-GFCCVEGCSA-N 1 0 317.360 3.456 50 0 DGAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[N@@H+](C(C)C)[C@H](C)C1 ZINC000043139796 183340490 /nfs/dbraw/zinc/34/04/90/183340490.db2.gz UBNRJVPAMHTBLC-OAHLLOKOSA-N 1 0 312.461 3.300 50 0 DGAARO O=C(C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCCC1 ZINC000043669872 183378561 /nfs/dbraw/zinc/37/85/61/183378561.db2.gz ZMNYXMSKXJUTRR-FQEVSTJZSA-N 1 0 320.436 3.257 50 0 DGAARO C[C@H](CNC(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000105724053 194121901 /nfs/dbraw/zinc/12/19/01/194121901.db2.gz GMMFLFPYJXFBGZ-NWDGAFQWSA-N 1 0 311.376 3.349 50 0 DGAARO CC(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048344925 183648192 /nfs/dbraw/zinc/64/81/92/183648192.db2.gz CMLZZHMCJVUBBQ-HOTGVXAUSA-N 1 0 302.462 3.437 50 0 DGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2cccs2)C1 ZINC000056168239 184006080 /nfs/dbraw/zinc/00/60/80/184006080.db2.gz VYHWMLKFAZQURS-HOCLYGCPSA-N 1 0 314.454 3.242 50 0 DGAARO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000056285213 184009403 /nfs/dbraw/zinc/00/94/03/184009403.db2.gz KSOHOZXZAAJXBJ-HNNXBMFYSA-N 1 0 323.440 3.390 50 0 DGAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(F)cc1Cl ZINC000057288885 184032194 /nfs/dbraw/zinc/03/21/94/184032194.db2.gz XTUIFQNOXWITCO-UHFFFAOYSA-N 1 0 312.816 3.475 50 0 DGAARO O=C(CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)NC1CC1 ZINC000058201924 184087104 /nfs/dbraw/zinc/08/71/04/184087104.db2.gz NENOIUGHRZQBLF-UHFFFAOYSA-N 1 0 311.429 3.016 50 0 DGAARO CCSCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000058210374 184088616 /nfs/dbraw/zinc/08/86/16/184088616.db2.gz UDNHRXNTVLARFU-INIZCTEOSA-N 1 0 320.502 3.400 50 0 DGAARO Cc1cc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)c(C)s1 ZINC000058391810 184111397 /nfs/dbraw/zinc/11/13/97/184111397.db2.gz YMSPJTLUETVBLW-LLVKDONJSA-N 1 0 306.479 3.324 50 0 DGAARO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000058264635 184095890 /nfs/dbraw/zinc/09/58/90/184095890.db2.gz HIMOYBIFLOMJKH-SJLPKXTDSA-N 1 0 302.462 3.417 50 0 DGAARO CC[NH+]1CCC(NC(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000058265325 184096078 /nfs/dbraw/zinc/09/60/78/184096078.db2.gz DWPAHVLGYMPHID-UHFFFAOYSA-N 1 0 315.244 3.136 50 0 DGAARO Clc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)c(Cl)c1 ZINC000058300201 184103032 /nfs/dbraw/zinc/10/30/32/184103032.db2.gz XNJVQDOIQOCSDL-JTQLQIEISA-N 1 0 311.216 3.021 50 0 DGAARO CCOCCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000058393865 184112403 /nfs/dbraw/zinc/11/24/03/184112403.db2.gz PBUUFAVZKQPVRF-UHFFFAOYSA-N 1 0 306.450 3.073 50 0 DGAARO CCC(C)(C)NC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000060168220 184145277 /nfs/dbraw/zinc/14/52/77/184145277.db2.gz LACHYSGQDXYGJG-QGZVFWFLSA-N 1 0 300.446 3.443 50 0 DGAARO C[C@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000061011924 184159521 /nfs/dbraw/zinc/15/95/21/184159521.db2.gz ZBBDFMGANJJKFV-ZDUSSCGKSA-N 1 0 313.426 3.071 50 0 DGAARO c1cnn(CC[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000060569323 184152272 /nfs/dbraw/zinc/15/22/72/184152272.db2.gz JYRSUVVVNMMMRQ-UHFFFAOYSA-N 1 0 312.442 3.372 50 0 DGAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590821 184301250 /nfs/dbraw/zinc/30/12/50/184301250.db2.gz FEAASLOKPQVOAI-UHFFFAOYSA-N 1 0 321.424 3.415 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@H](CC)c2cc(C)ccn2)CC1 ZINC000065394583 184334862 /nfs/dbraw/zinc/33/48/62/184334862.db2.gz AUKFLDVYHMIPKK-OAHLLOKOSA-N 1 0 305.422 3.052 50 0 DGAARO Cc1cc(-n2nc(C3CC3)nc2CCc2cccnc2)cc[nH+]1 ZINC000065370962 184330032 /nfs/dbraw/zinc/33/00/32/184330032.db2.gz XZICCYLNZDENMN-UHFFFAOYSA-N 1 0 305.385 3.028 50 0 DGAARO CCCC[C@H]1C=CCN1C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000065381100 184331882 /nfs/dbraw/zinc/33/18/82/184331882.db2.gz HKBVWZVBXIXLPO-KRWDZBQOSA-N 1 0 316.445 3.449 50 0 DGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1CCOc1ccccc1 ZINC000065488037 184353143 /nfs/dbraw/zinc/35/31/43/184353143.db2.gz ULRANOUZDBAMSJ-UHFFFAOYSA-N 1 0 320.396 3.470 50 0 DGAARO O=C(N1CCC[C@H]1c1nccs1)C1([NH+]2CCCC2)CCCC1 ZINC000065404104 184338198 /nfs/dbraw/zinc/33/81/98/184338198.db2.gz HREXYCMLHRKMDP-AWEZNQCLSA-N 1 0 319.474 3.215 50 0 DGAARO CCC[NH+]1CCC(CNC(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000065535460 184362244 /nfs/dbraw/zinc/36/22/44/184362244.db2.gz DVICSBQCUIRSMA-UHFFFAOYSA-N 1 0 317.433 3.133 50 0 DGAARO CCc1nc(CN2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cs1 ZINC000065542382 184363705 /nfs/dbraw/zinc/36/37/05/184363705.db2.gz SRPWGPJIQNMQFS-AWEZNQCLSA-N 1 0 316.474 3.343 50 0 DGAARO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000065564520 184366463 /nfs/dbraw/zinc/36/64/63/184366463.db2.gz ZPHZFCYRNMOPNO-FUHWJXTLSA-N 1 0 323.440 3.171 50 0 DGAARO CN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCC[N@H+](C)C1 ZINC000065508939 184357641 /nfs/dbraw/zinc/35/76/41/184357641.db2.gz VYRHLCDHJGOUMT-CQSZACIVSA-N 1 0 308.853 3.420 50 0 DGAARO O=C1Nc2ccccc2[C@@H]1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000009041421 284939502 /nfs/dbraw/zinc/93/95/02/284939502.db2.gz YGURMDITZSVQME-AEFFLSMTSA-N 1 0 303.365 3.091 50 0 biogenic DGAARO C(c1noc(C2CC2)n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069564345 184526317 /nfs/dbraw/zinc/52/63/17/184526317.db2.gz AVLXMGXADUXDJO-OAHLLOKOSA-N 1 0 318.465 3.035 50 0 DGAARO CSCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1 ZINC000069493097 184520261 /nfs/dbraw/zinc/52/02/61/184520261.db2.gz ZVWRWFCTRUBIDC-IRXDYDNUSA-N 1 0 318.486 3.248 50 0 DGAARO Cc1ccc(OCCCC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000269263400 207405453 /nfs/dbraw/zinc/40/54/53/207405453.db2.gz KAUHGHHILIDJOQ-SJORKVTESA-N 1 0 318.461 3.048 50 0 DGAARO C[C@H]([NH2+]Cc1cscc1Br)[C@H]1CCCOC1 ZINC000336780337 253000989 /nfs/dbraw/zinc/00/09/89/253000989.db2.gz QZXPIXSMYKUTHR-UWVGGRQHSA-N 1 0 304.253 3.415 50 0 DGAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C\c2cccs2)C1 ZINC000222133930 296384014 /nfs/dbraw/zinc/38/40/14/296384014.db2.gz BPJRSIRSQXWTMM-QIAWRQBBSA-N 1 0 306.475 3.388 50 0 DGAARO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000239761419 256602037 /nfs/dbraw/zinc/60/20/37/256602037.db2.gz CJVLKOWSASLNRI-QPSCCSFWSA-N 1 0 301.496 3.147 50 0 DGAARO C[C@H]1C[C@H](N(C)Cc2cnns2)CC[N@@H+]1Cc1ccccc1 ZINC000289951477 221337243 /nfs/dbraw/zinc/33/72/43/221337243.db2.gz HYJXAMNXWZTSAS-GOEBONIOSA-N 1 0 316.474 3.023 50 0 DGAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000095378012 257271975 /nfs/dbraw/zinc/27/19/75/257271975.db2.gz DTRXURLQORAEMY-CQSZACIVSA-N 1 0 321.856 3.194 50 0 DGAARO CCCc1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)o1 ZINC000216517251 257273400 /nfs/dbraw/zinc/27/34/00/257273400.db2.gz HQJBECVXKCHRJI-UHFFFAOYSA-N 1 0 301.390 3.066 50 0 DGAARO Cc1nc(CN(C)Cc2ccccc2Cn2cccn2)cs1 ZINC000216490619 257273542 /nfs/dbraw/zinc/27/35/42/257273542.db2.gz QCOASUYCTLVEST-UHFFFAOYSA-N 1 0 312.442 3.328 50 0 DGAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000237583828 257238705 /nfs/dbraw/zinc/23/87/05/257238705.db2.gz BDRKUQDTXWTBML-IWCVFHTOSA-N 1 0 300.446 3.299 50 0 DGAARO COc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1-c1ccccc1 ZINC000237122156 257239777 /nfs/dbraw/zinc/23/97/77/257239777.db2.gz DEZLUUGGIALYHM-WMLDXEAASA-N 1 0 324.424 3.314 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)s1 ZINC000121936503 195377347 /nfs/dbraw/zinc/37/73/47/195377347.db2.gz JTFPLIVDISMCPA-OAHLLOKOSA-N 1 0 304.463 3.177 50 0 DGAARO O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128849 134685932 /nfs/dbraw/zinc/68/59/32/134685932.db2.gz VWZZMMYJUIWCLS-QGZVFWFLSA-N 1 0 313.445 3.305 50 0 DGAARO CC(C)[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000091280638 400110389 /nfs/dbraw/zinc/11/03/89/400110389.db2.gz UDWBKVRRRCNTON-WFASDCNBSA-N 1 0 315.866 3.061 50 0 DGAARO C[C@H](C[NH+]1CCCCCC1)NCc1ccccc1-n1ccnc1 ZINC000584885173 400120642 /nfs/dbraw/zinc/12/06/42/400120642.db2.gz JTFDVXZWOJJVAT-QGZVFWFLSA-N 1 0 312.461 3.226 50 0 DGAARO O=C(CCCN1CC[N@@H+]2CCCCC[C@H]2C1)c1ccc(F)cc1 ZINC000019362228 400185444 /nfs/dbraw/zinc/18/54/44/400185444.db2.gz YQVNQWHJNJGZLH-SFHVURJKSA-N 1 0 318.436 3.349 50 0 DGAARO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCC2)n1C(F)F ZINC000584888988 400122152 /nfs/dbraw/zinc/12/21/52/400122152.db2.gz BXDFROPSYQQCBE-UHFFFAOYSA-N 1 0 313.392 3.138 50 0 DGAARO CC(C)[C@H]([NH2+]Cc1cc2c(cccc2O)s1)c1nncn1C ZINC000585136103 400127353 /nfs/dbraw/zinc/12/73/53/400127353.db2.gz QFONYQOHDJCRLQ-HNNXBMFYSA-N 1 0 316.430 3.222 50 0 DGAARO CC(=O)CCc1ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020639389 400190567 /nfs/dbraw/zinc/19/05/67/400190567.db2.gz AXLNUSIWMWQBRJ-IRXDYDNUSA-N 1 0 319.445 3.086 50 0 DGAARO CC(C)COc1ccccc1N1CC[NH+](CCCCCO)CC1 ZINC000096026594 400274105 /nfs/dbraw/zinc/27/41/05/400274105.db2.gz OKFCOBMUCDSMGC-UHFFFAOYSA-N 1 0 320.477 3.006 50 0 DGAARO FC(F)(F)[C@@H]1CCCn2c(C[NH2+]C3CCCCC3)nnc21 ZINC000095402050 400274336 /nfs/dbraw/zinc/27/43/36/400274336.db2.gz RIQLGVOTNBETAD-LLVKDONJSA-N 1 0 302.344 3.140 50 0 DGAARO CC(C)(C[NH+]1CCC(N2CCCC2=O)CC1)c1ccccc1 ZINC000097230841 400283384 /nfs/dbraw/zinc/28/33/84/400283384.db2.gz OVJHLDRPAZRKBY-UHFFFAOYSA-N 1 0 300.446 3.051 50 0 DGAARO CC(C)(C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000097373048 400285775 /nfs/dbraw/zinc/28/57/75/400285775.db2.gz OLGYQXYNOIVVEN-QGZVFWFLSA-N 1 0 317.473 3.482 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2nccs2)C12CCC2 ZINC000404772116 400296836 /nfs/dbraw/zinc/29/68/36/400296836.db2.gz ZYJKBMYRNHTXSI-VXGBXAGGSA-N 1 0 323.462 3.069 50 0 DGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc2cc(C)ccn12 ZINC000072298384 400380458 /nfs/dbraw/zinc/38/04/58/400380458.db2.gz JYDSPZBDUANGIC-INIZCTEOSA-N 1 0 309.417 3.026 50 0 DGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000069967180 400349664 /nfs/dbraw/zinc/34/96/64/400349664.db2.gz RSWBGCJWIALVPY-IAGOWNOFSA-N 1 0 323.444 3.176 50 0 DGAARO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000111036265 400361825 /nfs/dbraw/zinc/36/18/25/400361825.db2.gz IHEXZPUEZIYHOA-BUPRPMBJSA-N 1 0 319.445 3.200 50 0 DGAARO CC(C)Cn1ncnc1CN[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000124681907 400478482 /nfs/dbraw/zinc/47/84/82/400478482.db2.gz YBKBBHISSVQQFZ-RYUDHWBXSA-N 1 0 304.360 3.145 50 0 DGAARO COc1ccc2nc(NC(=O)CC[NH+]3CCCCC3)sc2c1 ZINC000074693858 400527997 /nfs/dbraw/zinc/52/79/97/400527997.db2.gz FTHWMTBRYXQPJM-UHFFFAOYSA-N 1 0 319.430 3.119 50 0 DGAARO C[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CCCN1CCOC1=O ZINC000075109393 400560670 /nfs/dbraw/zinc/56/06/70/400560670.db2.gz HQAFTCYKIJCWSG-RDJZCZTQSA-N 1 0 302.418 3.444 50 0 DGAARO CCS(=O)(=O)CCC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000075968203 400624731 /nfs/dbraw/zinc/62/47/31/400624731.db2.gz JNJKSDAWTFAEIF-UHFFFAOYSA-N 1 0 301.496 3.248 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000076058052 400630580 /nfs/dbraw/zinc/63/05/80/400630580.db2.gz LHQOQJSQXCEWSV-WFASDCNBSA-N 1 0 324.852 3.085 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000076058056 400631189 /nfs/dbraw/zinc/63/11/89/400631189.db2.gz LHQOQJSQXCEWSV-SWLSCSKDSA-N 1 0 324.852 3.085 50 0 DGAARO Fc1cc(F)cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092661242 545849916 /nfs/dbraw/zinc/84/99/16/545849916.db2.gz FAFGKZSENBDJOI-QGZVFWFLSA-N 1 0 311.372 3.125 50 0 DGAARO CCC(CC)[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)CCO1 ZINC000157892255 400721777 /nfs/dbraw/zinc/72/17/77/400721777.db2.gz VAGDTCNDNJCNCF-SJORKVTESA-N 1 0 311.466 3.246 50 0 DGAARO COc1ccccc1-c1nnc(C[NH2+][C@H]2CCCC[C@H]2C)o1 ZINC000162408613 400745667 /nfs/dbraw/zinc/74/56/67/400745667.db2.gz CRWYEIAFULYWPF-OCCSQVGLSA-N 1 0 301.390 3.414 50 0 DGAARO O=C(Nc1cccc(C(F)F)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000157563168 400717742 /nfs/dbraw/zinc/71/77/42/400717742.db2.gz VBZQQLSUUUSSEC-OAHLLOKOSA-N 1 0 302.324 3.277 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169679392 400759027 /nfs/dbraw/zinc/75/90/27/400759027.db2.gz ZBJVLOLSHLUPEM-FUHWJXTLSA-N 1 0 323.477 3.329 50 0 DGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000169783960 400760960 /nfs/dbraw/zinc/76/09/60/400760960.db2.gz XJSORNGTCCXHDB-QGZVFWFLSA-N 1 0 320.864 3.420 50 0 DGAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000169783961 400761601 /nfs/dbraw/zinc/76/16/01/400761601.db2.gz XJSORNGTCCXHDB-KRWDZBQOSA-N 1 0 320.864 3.420 50 0 DGAARO COC(=O)N(C)Cc1ccc(NC2CC[NH+](C(C)C)CC2)cc1 ZINC000170593822 400763118 /nfs/dbraw/zinc/76/31/18/400763118.db2.gz IUZGAYQWHJUDBO-UHFFFAOYSA-N 1 0 319.449 3.170 50 0 DGAARO COc1ccc(CCC[NH+]2CCC(n3ccnc3)CC2)cc1F ZINC000170602998 400764870 /nfs/dbraw/zinc/76/48/70/400764870.db2.gz SNEIGMIACSLCNG-UHFFFAOYSA-N 1 0 317.408 3.301 50 0 DGAARO CC(C)[C@@H](C(=O)O[C@@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000170609450 400766127 /nfs/dbraw/zinc/76/61/27/400766127.db2.gz ZJWOFMAENSUGMT-FZMZJTMJSA-N 1 0 306.431 3.487 50 0 DGAARO CC1CCC(=CC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000170626959 400767519 /nfs/dbraw/zinc/76/75/19/400767519.db2.gz LRRVVKDLOGSGKX-YVZMLIKISA-N 1 0 322.493 3.127 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cc(F)ccc1F ZINC000078896988 400831509 /nfs/dbraw/zinc/83/15/09/400831509.db2.gz XIRBSCIULUCRRS-BWACUDIHSA-N 1 0 322.399 3.262 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)[C@H](C)C1 ZINC000078897489 400831527 /nfs/dbraw/zinc/83/15/27/400831527.db2.gz SSAPYPBSSREOKG-SJLPKXTDSA-N 1 0 302.462 3.348 50 0 DGAARO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1C ZINC000078898391 400831615 /nfs/dbraw/zinc/83/16/15/400831615.db2.gz IXTDTCZVYIDDFO-QFBILLFUSA-N 1 0 314.473 3.348 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000175547014 400867645 /nfs/dbraw/zinc/86/76/45/400867645.db2.gz ADWOTELBKGEMSP-CQSZACIVSA-N 1 0 319.449 3.355 50 0 DGAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cscn1 ZINC000079762060 400894233 /nfs/dbraw/zinc/89/42/33/400894233.db2.gz QWBDBTSRRWQFPY-YJBOKZPZSA-N 1 0 315.486 3.486 50 0 DGAARO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccnn1C)CCCS2 ZINC000188464653 400908005 /nfs/dbraw/zinc/90/80/05/400908005.db2.gz LBTCEVMVLMXMRV-MRXNPFEDSA-N 1 0 317.458 3.188 50 0 DGAARO Oc1cccc(C[N@@H+](C[C@H]2CCC=CO2)C2CCC(O)CC2)c1 ZINC000193829628 400918639 /nfs/dbraw/zinc/91/86/39/400918639.db2.gz NGWZKKWVOABJBC-FAFZWHIHSA-N 1 0 317.429 3.190 50 0 DGAARO Clc1cnc(NC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000195533814 400924412 /nfs/dbraw/zinc/92/44/12/400924412.db2.gz HGDNGCOBFMHOHJ-UHFFFAOYSA-N 1 0 308.838 3.268 50 0 DGAARO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCSCC1 ZINC000245287303 401004975 /nfs/dbraw/zinc/00/49/75/401004975.db2.gz BVSOUDSQZHHPBC-MAUKXSAKSA-N 1 0 304.503 3.382 50 0 DGAARO Cc1cn2c(n1)CC[C@H]([NH2+]Cc1ccc3nc(C)ccc3c1)C2 ZINC000225463177 400956564 /nfs/dbraw/zinc/95/65/64/400956564.db2.gz HDGJZCTWZSALKY-KRWDZBQOSA-N 1 0 306.413 3.153 50 0 DGAARO CN(Cc1ccc(SC(F)F)cc1)C(=O)CC1([NH3+])CCC1 ZINC000225487754 400958703 /nfs/dbraw/zinc/95/87/03/400958703.db2.gz NSQRDCDHYBZTRK-UHFFFAOYSA-N 1 0 314.401 3.231 50 0 DGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000248088042 401065126 /nfs/dbraw/zinc/06/51/26/401065126.db2.gz KUINEPMDPQXYOX-ZHCJQAHYSA-N 1 0 316.445 3.247 50 0 DGAARO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000248012910 401065355 /nfs/dbraw/zinc/06/53/55/401065355.db2.gz JSHQYXIKYNOEOR-MJGOQNOKSA-N 1 0 311.425 3.354 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000248114247 401066643 /nfs/dbraw/zinc/06/66/43/401066643.db2.gz ZFKPBFSPFCMPSA-LULLPPNCSA-N 1 0 322.493 3.057 50 0 DGAARO COC(=O)CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000253397820 401098614 /nfs/dbraw/zinc/09/86/14/401098614.db2.gz UHHLZACBWKXFPB-DOTOQJQBSA-N 1 0 305.418 3.100 50 0 DGAARO CC[C@@H]1C[C@H](C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000253369457 401098711 /nfs/dbraw/zinc/09/87/11/401098711.db2.gz CUSBMZJTBYLZKV-SOLBZPMBSA-N 1 0 322.493 3.105 50 0 DGAARO C[C@H](CN(C)c1ccccc1)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085306743 401165936 /nfs/dbraw/zinc/16/59/36/401165936.db2.gz PKOSIAQRQBUHRN-IVZQSRNASA-N 1 0 316.470 3.039 50 0 DGAARO c1ccc(-c2nc3c(c(N4CCCCCC4)n2)CC[NH2+]C3)cc1 ZINC000067654860 296611723 /nfs/dbraw/zinc/61/17/23/296611723.db2.gz QCHHISYKCWBUHC-UHFFFAOYSA-N 1 0 308.429 3.170 50 0 DGAARO O=C(NC1CC[NH+](C2CCC2)CC1)c1nccc2ccsc21 ZINC000627669140 401483366 /nfs/dbraw/zinc/48/33/66/401483366.db2.gz UIPADZQMKHTHGN-UHFFFAOYSA-N 1 0 315.442 3.043 50 0 DGAARO Cc1ccc([C@H]2NC(=S)N=C3C2CCC[C@@H]3C[NH+](C)C)cc1 ZINC000101375248 292278289 /nfs/dbraw/zinc/27/82/89/292278289.db2.gz NRERSBYAYDKVRY-GDBMZVCRSA-N 1 0 315.486 3.130 50 0 DGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1 ZINC000000525831 292356008 /nfs/dbraw/zinc/35/60/08/292356008.db2.gz OVDAQVIEYIDYQE-PKOBYXMFSA-N 1 0 306.409 3.443 50 0 biogenic DGAARO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2nncn2-c2ccccc2)C1 ZINC000129264373 196033637 /nfs/dbraw/zinc/03/36/37/196033637.db2.gz NIGBYKMQTPUVLE-STQMWFEESA-N 1 0 324.350 3.478 50 0 DGAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000269270126 432156928 /nfs/dbraw/zinc/15/69/28/432156928.db2.gz WUJNKOFFLIJXIN-ZNMIVQPWSA-N 1 0 306.837 3.001 50 0 DGAARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000136833608 432163435 /nfs/dbraw/zinc/16/34/35/432163435.db2.gz ZAGNCWIRSNRLBU-ZBFHGGJFSA-N 1 0 305.466 3.061 50 0 DGAARO Fc1cnc(NCc2ccc(N3CCCCCC3)nc2)nc1 ZINC000269491707 432180081 /nfs/dbraw/zinc/18/00/81/432180081.db2.gz OCDOQDQQFBXTRO-UHFFFAOYSA-N 1 0 301.369 3.003 50 0 DGAARO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000131301877 196159393 /nfs/dbraw/zinc/15/93/93/196159393.db2.gz YKDAWUNWURTEJA-MRXNPFEDSA-N 1 0 323.440 3.218 50 0 DGAARO Cc1cc(C(=O)N2CCC([C@@H](C)[NH+]3CCCC3)CC2)cc(C)n1 ZINC000299799721 229461206 /nfs/dbraw/zinc/46/12/06/229461206.db2.gz ZCHQWOHCOGYOPQ-MRXNPFEDSA-N 1 0 315.461 3.035 50 0 DGAARO OC1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091262167 275045147 /nfs/dbraw/zinc/04/51/47/275045147.db2.gz IPARBAZEYLBPPU-NWHVRFAMSA-N 1 0 310.235 3.330 50 0 DGAARO [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000191330739 432251758 /nfs/dbraw/zinc/25/17/58/432251758.db2.gz CRIBWQXHTFIRCY-MCIONIFRSA-N 1 0 313.228 3.047 50 0 DGAARO CC[C@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccncc1 ZINC000163711378 273752121 /nfs/dbraw/zinc/75/21/21/273752121.db2.gz KNQAJUOKOIXNTA-FZMZJTMJSA-N 1 0 323.238 3.170 50 0 DGAARO C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000230211496 287701331 /nfs/dbraw/zinc/70/13/31/287701331.db2.gz QIMXVAQVVXWPFY-OWCLPIDISA-N 1 0 309.498 3.375 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC000158887815 273966808 /nfs/dbraw/zinc/96/68/08/273966808.db2.gz TYBQTVXUQMDUIS-CQSZACIVSA-N 1 0 300.402 3.121 50 0 DGAARO COCc1noc([C@H](C)[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)n1 ZINC000280287704 274054332 /nfs/dbraw/zinc/05/43/32/274054332.db2.gz DZWVFAHPJNMPIQ-LSDHHAIUSA-N 1 0 315.417 3.383 50 0 DGAARO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000035633166 275518306 /nfs/dbraw/zinc/51/83/06/275518306.db2.gz DRTNNOZETCFVNF-UHFFFAOYSA-N 1 0 304.434 3.423 50 0 DGAARO CC(C)(C)OC(=O)N1CCC[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000074941286 275518813 /nfs/dbraw/zinc/51/88/13/275518813.db2.gz FIGKHKRVJMXJLJ-AWEZNQCLSA-N 1 0 305.422 3.244 50 0 DGAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000097098600 275910212 /nfs/dbraw/zinc/91/02/12/275910212.db2.gz XZLQSDKYVUYQRP-QAPCUYQASA-N 1 0 321.486 3.313 50 0 DGAARO CCN(C(=O)c1ccncc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060127899 276301452 /nfs/dbraw/zinc/30/14/52/276301452.db2.gz KOEHSYLEWCJSAR-QFBILLFUSA-N 1 0 323.440 3.379 50 0 DGAARO CC[NH+](CC)[C@@H](CNc1ncnc2oc(C)nc21)c1ccco1 ZINC000055358179 276336982 /nfs/dbraw/zinc/33/69/82/276336982.db2.gz JXOJXNRQYVNGLP-LBPRGKRZSA-N 1 0 315.377 3.014 50 0 DGAARO CCN(Cc1cccc(N[C@@H](C)C2CC[NH+](C)CC2)c1)C(C)=O ZINC000097045635 276354254 /nfs/dbraw/zinc/35/42/54/276354254.db2.gz ZUQOIWDTINQPHJ-HNNXBMFYSA-N 1 0 317.477 3.197 50 0 DGAARO CN1CCCCc2c(N)c3cc(Br)ccc3[nH+]c21 ZINC000000321321 277047405 /nfs/dbraw/zinc/04/74/05/277047405.db2.gz ULSVGSPJCPZLEO-UHFFFAOYSA-N 1 0 306.207 3.352 50 0 biogenic DGAARO CC(C)(C)[NH2+]C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000004957845 277173062 /nfs/dbraw/zinc/17/30/62/277173062.db2.gz DGFCJMQKMNSQRZ-WCWCZOKXSA-N 1 0 309.494 3.359 50 0 DGAARO COc1c(C[NH2+][C@H]2CCc3c2cccc3Cl)c(C)nn1C ZINC000058411958 277788692 /nfs/dbraw/zinc/78/86/92/277788692.db2.gz RPUVPKRIRFLKJW-HNNXBMFYSA-N 1 0 305.809 3.168 50 0 DGAARO COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000010017885 278007640 /nfs/dbraw/zinc/00/76/40/278007640.db2.gz KUMMQVPQKJKKPC-SFHVURJKSA-N 1 0 312.413 3.036 50 0 DGAARO CSc1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000242302187 278172566 /nfs/dbraw/zinc/17/25/66/278172566.db2.gz YQGGBPVPWGVWOS-QGZVFWFLSA-N 1 0 320.502 3.095 50 0 DGAARO C[C@@H](CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000090518244 278233909 /nfs/dbraw/zinc/23/39/09/278233909.db2.gz RBUMWEATONXZAT-QDUSTFBWSA-N 1 0 307.459 3.180 50 0 DGAARO C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@H](C)n1cccn1 ZINC000069372315 278359989 /nfs/dbraw/zinc/35/99/89/278359989.db2.gz ONYYUFADYAAHSA-NEPJUHHUSA-N 1 0 302.403 3.339 50 0 DGAARO C[N@H+](C[C@@H]1CCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064453 431116555 /nfs/dbraw/zinc/11/65/55/431116555.db2.gz NPKQYXUTEDEBMG-VQISRLSMSA-N 1 0 316.228 3.062 50 0 DGAARO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000108089678 431121131 /nfs/dbraw/zinc/12/11/31/431121131.db2.gz SQEYKBCFCWYXQL-DUXKGJEZSA-N 1 0 324.468 3.454 50 0 DGAARO C[C@@H]([NH2+]C(C)(C)CNC(=O)CC(F)(F)F)c1ccccc1 ZINC000068385586 431126107 /nfs/dbraw/zinc/12/61/07/431126107.db2.gz UHQYSKSNADDUPF-LLVKDONJSA-N 1 0 302.340 3.184 50 0 DGAARO Cc1csc2c1ncnc2N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000192579666 279047465 /nfs/dbraw/zinc/04/74/65/279047465.db2.gz YYMBJZJYPDGKHI-CQSZACIVSA-N 1 0 316.474 3.454 50 0 DGAARO CC[NH+](CC)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000003205138 279133111 /nfs/dbraw/zinc/13/31/11/279133111.db2.gz DTCMJGIBNCISMP-IBGZPJMESA-N 1 0 313.441 3.495 50 0 DGAARO CS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000108357712 431137043 /nfs/dbraw/zinc/13/70/43/431137043.db2.gz VNOZQQBCJYOWKV-XUWVNRHRSA-N 1 0 312.523 3.334 50 0 DGAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(OC)c1 ZINC000000188083 431141916 /nfs/dbraw/zinc/14/19/16/431141916.db2.gz SSLNFDGKAGXRFX-SFHVURJKSA-N 1 0 308.381 3.420 50 0 biogenic DGAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000300485 431161556 /nfs/dbraw/zinc/16/15/56/431161556.db2.gz HBHDQNPFGNFTOS-RHSMWYFYSA-N 1 0 304.409 3.162 50 0 DGAARO CC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000000299571 431162038 /nfs/dbraw/zinc/16/20/38/431162038.db2.gz FWPYWJBLKCLTJB-UHFFFAOYSA-N 1 0 308.853 3.467 50 0 DGAARO COc1ccc([C@@H]2N(O)C(C)(C)C(c3ccccc3)[N+]2=O)cc1 ZINC000000300185 431162504 /nfs/dbraw/zinc/16/25/04/431162504.db2.gz MJQXSXWNQWIYSB-KRWDZBQOSA-N 1 0 312.369 3.177 50 0 DGAARO CC[NH+](CC)[C@H](C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000000347602 431167703 /nfs/dbraw/zinc/16/77/03/431167703.db2.gz AHWONPJLHQVHGO-CYBMUJFWSA-N 1 0 300.446 3.333 50 0 DGAARO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000000351999 431171414 /nfs/dbraw/zinc/17/14/14/431171414.db2.gz ZRSMIXOOTWJODX-IBGZPJMESA-N 1 0 311.425 3.101 50 0 DGAARO Fc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c2ncccc12 ZINC000069310239 431174679 /nfs/dbraw/zinc/17/46/79/431174679.db2.gz GCTVYZCEYQYNQH-MRXNPFEDSA-N 1 0 316.376 3.101 50 0 DGAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccs1)[C@@H](C)n1cccn1 ZINC000069368643 431181111 /nfs/dbraw/zinc/18/11/11/431181111.db2.gz ZVSWDFXKYJTFKU-VXGBXAGGSA-N 1 0 301.419 3.074 50 0 DGAARO C[N@H+](CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000000454038 431185705 /nfs/dbraw/zinc/18/57/05/431185705.db2.gz FZRODLTYNSZVDS-UHFFFAOYSA-N 1 0 304.340 3.425 50 0 DGAARO COc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)cc(=O)oc2c1 ZINC000069442724 431187291 /nfs/dbraw/zinc/18/72/91/431187291.db2.gz XLYAAQNDCQTODV-KRWDZBQOSA-N 1 0 324.380 3.467 50 0 DGAARO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(OC)c2)CC1 ZINC000069418727 431187387 /nfs/dbraw/zinc/18/73/87/431187387.db2.gz OPUIDXWQKZQNTA-UHFFFAOYSA-N 1 0 305.422 3.033 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000069512776 431192556 /nfs/dbraw/zinc/19/25/56/431192556.db2.gz MPKNRTYWZPEPOM-STQMWFEESA-N 1 0 321.490 3.139 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000069491644 431193105 /nfs/dbraw/zinc/19/31/05/431193105.db2.gz RXEKBOQGXVCYPN-GJZGRUSLSA-N 1 0 315.417 3.092 50 0 DGAARO Cc1ccc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCC[N@H+]3C)[nH]c2c1 ZINC000069490165 431193338 /nfs/dbraw/zinc/19/33/38/431193338.db2.gz HXIZDZJKZAOJEA-ZWKOTPCHSA-N 1 0 311.429 3.175 50 0 DGAARO CC(=O)N1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000000215472 431148045 /nfs/dbraw/zinc/14/80/45/431148045.db2.gz NUOBHVSWVRDZCI-UHFFFAOYSA-N 1 0 308.425 3.377 50 0 DGAARO COc1ccc(OC)c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000000243809 431155084 /nfs/dbraw/zinc/15/50/84/431155084.db2.gz JPZCXXTWJUEBFQ-UHFFFAOYSA-N 1 0 318.461 3.154 50 0 DGAARO CC[NH+](CC)CCn1c2ccccc2n2nc(C)c(C(C)=O)c12 ZINC000000266077 431155762 /nfs/dbraw/zinc/15/57/62/431155762.db2.gz FAKCVINUKKWMRH-UHFFFAOYSA-N 1 0 312.417 3.142 50 0 DGAARO CC1CCC([NH+]2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000000285150 431158922 /nfs/dbraw/zinc/15/89/22/431158922.db2.gz PRIDGCFOJJHHCP-UHFFFAOYSA-N 1 0 304.409 3.162 50 0 DGAARO O=c1oc2ccccc2c(N2CCCCC2)c1C[NH+]1CCCC1 ZINC000000272745 431159336 /nfs/dbraw/zinc/15/93/36/431159336.db2.gz PPBJWIWNHCYDBJ-UHFFFAOYSA-N 1 0 312.413 3.379 50 0 DGAARO Cc1ccccc1CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069661399 431210315 /nfs/dbraw/zinc/21/03/15/431210315.db2.gz VZKSPXSARLYPDK-MSOLQXFVSA-N 1 0 300.446 3.013 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)Nc2cccc(OC)c2)CC1 ZINC000069658081 431210560 /nfs/dbraw/zinc/21/05/60/431210560.db2.gz WLEDFIRLJUUZOW-UHFFFAOYSA-N 1 0 319.449 3.281 50 0 DGAARO CCN(C(=O)c1ccccn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000069744776 431219700 /nfs/dbraw/zinc/21/97/00/431219700.db2.gz KZBYAZPOTCUKDD-FUHWJXTLSA-N 1 0 323.440 3.379 50 0 DGAARO Cc1ccc(C[NH2+]C[C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000069818778 431225609 /nfs/dbraw/zinc/22/56/09/431225609.db2.gz LIMBAWILDMYZFH-ZDUSSCGKSA-N 1 0 304.463 3.124 50 0 DGAARO C=C1[NH+]=C(N)S[C@@H](c2ccccc2)C1C(=O)OC(C)(C)C ZINC000001410003 431227014 /nfs/dbraw/zinc/22/70/14/431227014.db2.gz GDPCLDXKUXIMCM-ZDUSSCGKSA-N 1 0 304.415 3.405 50 0 DGAARO COc1ccc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cncn2)cc1Cl ZINC000069877533 431228310 /nfs/dbraw/zinc/22/83/10/431228310.db2.gz HQXBMVLBOWDKEP-TZMCWYRMSA-N 1 0 320.824 3.166 50 0 DGAARO CC[N@@H+]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000069895083 431229449 /nfs/dbraw/zinc/22/94/49/431229449.db2.gz OQIMNEAROIZQDF-UHFFFAOYSA-N 1 0 318.314 3.012 50 0 DGAARO Cc1cnn(CC[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000069897007 431230472 /nfs/dbraw/zinc/23/04/72/431230472.db2.gz SXJQIQANDNXWHV-UHFFFAOYSA-N 1 0 304.444 3.166 50 0 DGAARO C[C@@H](CC(C(=O)N(C)C)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000001655422 431234068 /nfs/dbraw/zinc/23/40/68/431234068.db2.gz RVEQIAUXZFXKRA-KRWDZBQOSA-N 1 0 324.468 3.401 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000070172434 431242880 /nfs/dbraw/zinc/24/28/80/431242880.db2.gz XNKISXBVEYUJOE-ZJUUUORDSA-N 1 0 301.217 3.193 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000070172475 431243086 /nfs/dbraw/zinc/24/30/86/431243086.db2.gz JNSZDWGUOHDHDI-GXSJLCMTSA-N 1 0 301.217 3.193 50 0 DGAARO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cncc(F)c1 ZINC000090115368 279553554 /nfs/dbraw/zinc/55/35/54/279553554.db2.gz SNIXEVLTEKCKJS-DCGLDWPTSA-N 1 0 313.376 3.065 50 0 DGAARO OCC[NH2+]CCCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002932618 431277925 /nfs/dbraw/zinc/27/79/25/431277925.db2.gz UBTSDRSPHZQTDD-UHFFFAOYSA-N 1 0 312.624 3.388 50 0 DGAARO COCC[NH2+]CCCOc1ccc(OCc2ccccc2)cc1 ZINC000003000658 431279372 /nfs/dbraw/zinc/27/93/72/431279372.db2.gz ZPGXWZZDOPEZNS-UHFFFAOYSA-N 1 0 315.413 3.271 50 0 DGAARO Cc1ccsc1C[N@@H+](C)Cc1cc(C)n(-n2cnnc2)c1C ZINC000071416077 431280431 /nfs/dbraw/zinc/28/04/31/431280431.db2.gz XSTUZTDEEVNGMW-UHFFFAOYSA-N 1 0 315.446 3.010 50 0 DGAARO O[C@@H](C[NH2+]Cc1ccccc1)COCc1ccc(Cl)cc1 ZINC000003241687 431288064 /nfs/dbraw/zinc/28/80/64/431288064.db2.gz HUJBPYXFFMWRCZ-KRWDZBQOSA-N 1 0 305.805 3.007 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2sc3c(c21)CCC3 ZINC000003334735 431289538 /nfs/dbraw/zinc/28/95/38/431289538.db2.gz QBKDIVWQXSVULU-NSHDSACASA-N 1 0 302.447 3.076 50 0 DGAARO COc1cc(C[NH2+][C@H]2CCOc3ccccc32)cc2c1OCO2 ZINC000071831320 431295781 /nfs/dbraw/zinc/29/57/81/431295781.db2.gz HEHWFRQSDLIXSG-AWEZNQCLSA-N 1 0 313.353 3.037 50 0 DGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(Cl)cn2C)C1 ZINC000071830755 431295944 /nfs/dbraw/zinc/29/59/44/431295944.db2.gz YTSKXPNQDXUKCD-VNHYZAJKSA-N 1 0 323.868 3.156 50 0 DGAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc[nH]2)N3)C1 ZINC000004555303 431299120 /nfs/dbraw/zinc/29/91/20/431299120.db2.gz QTLYIIYFAAOBHL-AWEZNQCLSA-N 1 0 316.430 3.272 50 0 DGAARO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000071851725 431299442 /nfs/dbraw/zinc/29/94/42/431299442.db2.gz LYGVQUXDSFYFKL-MRXNPFEDSA-N 1 0 312.413 3.017 50 0 DGAARO CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCc2nnc(C)n2C1 ZINC000071877335 431305326 /nfs/dbraw/zinc/30/53/26/431305326.db2.gz ZVHDLXZTPDBEPP-AWEZNQCLSA-N 1 0 324.428 3.247 50 0 DGAARO CC[C@H](OC1CCCC1)C(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC000071903939 431313144 /nfs/dbraw/zinc/31/31/44/431313144.db2.gz KLHVYEZFBZFFPY-SFHVURJKSA-N 1 0 322.493 3.271 50 0 DGAARO COc1cccc(C[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000002734502 431262594 /nfs/dbraw/zinc/26/25/94/431262594.db2.gz MBDNFPVVDXTMLY-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO COc1ccc(C[NH2+]CCc2ccc(F)cc2)c(OC)c1C ZINC000002729612 431263346 /nfs/dbraw/zinc/26/33/46/431263346.db2.gz SFXWOJHKBOPAHQ-UHFFFAOYSA-N 1 0 303.377 3.484 50 0 DGAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(Br)cc1 ZINC000002822414 431273245 /nfs/dbraw/zinc/27/32/45/431273245.db2.gz PODCOCHLJIPTPF-LBPRGKRZSA-N 1 0 316.239 3.233 50 0 DGAARO CC[NH+](CC)CCNc1ncnc2c3cc(C)c(C)nc3oc21 ZINC000071283340 431275730 /nfs/dbraw/zinc/27/57/30/431275730.db2.gz AOGIDRYBYPZVME-UHFFFAOYSA-N 1 0 313.405 3.142 50 0 DGAARO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CCC2=CCCCC2)cc1 ZINC000006905882 431324192 /nfs/dbraw/zinc/32/41/92/431324192.db2.gz KVSQRSLXIRPNBT-GOSISDBHSA-N 1 0 317.429 3.109 50 0 DGAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc3c2CCCC3)CC1 ZINC000072154343 431332223 /nfs/dbraw/zinc/33/22/23/431332223.db2.gz IWZHJASETPRXKE-CYBMUJFWSA-N 1 0 306.475 3.183 50 0 DGAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000007421339 431345742 /nfs/dbraw/zinc/34/57/42/431345742.db2.gz CVJKUVARDQTFQA-MRXNPFEDSA-N 1 0 308.425 3.405 50 0 DGAARO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)CCCC2 ZINC000007459908 431349860 /nfs/dbraw/zinc/34/98/60/431349860.db2.gz CHUCHAJWXAQPLB-MRXNPFEDSA-N 1 0 314.473 3.475 50 0 DGAARO CCC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063525 431421724 /nfs/dbraw/zinc/42/17/24/431421724.db2.gz BRTNJRQCMVVIIP-AWEZNQCLSA-N 1 0 306.425 3.343 50 0 DGAARO c1ccc(C2(c3ccccc3)OC[C@@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000008143662 431382623 /nfs/dbraw/zinc/38/26/23/431382623.db2.gz HGKAMARNFGKMLC-MOPGFXCFSA-N 1 0 309.409 3.445 50 0 in-man DGAARO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccnc1Cl ZINC000075503402 431481155 /nfs/dbraw/zinc/48/11/55/431481155.db2.gz PXPXBIIGGLEWGX-LBPRGKRZSA-N 1 0 310.829 3.073 50 0 DGAARO Cc1c([C@H](C)[NH2+]C2CCOCC2)cnn1-c1ccc(F)cc1F ZINC000011661071 431478820 /nfs/dbraw/zinc/47/88/20/431478820.db2.gz YWCPSDVDOIZGCO-NSHDSACASA-N 1 0 321.371 3.289 50 0 DGAARO O=C1C[C@H]([NH2+]Cc2ccsc2)CN1CCCc1ccccc1 ZINC000012715150 431525720 /nfs/dbraw/zinc/52/57/20/431525720.db2.gz ORHMNFBXKJUKHZ-KRWDZBQOSA-N 1 0 314.454 3.071 50 0 DGAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012773673 431526599 /nfs/dbraw/zinc/52/65/99/431526599.db2.gz WSHWHGAFGMRJEG-SFHVURJKSA-N 1 0 310.397 3.131 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)s1 ZINC000011878803 431483154 /nfs/dbraw/zinc/48/31/54/431483154.db2.gz ITPLIPLIILAKFQ-AWEZNQCLSA-N 1 0 306.475 3.327 50 0 DGAARO Cc1occc1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011874879 431483519 /nfs/dbraw/zinc/48/35/19/431483519.db2.gz ZLMTZPCTBIYNBW-INIZCTEOSA-N 1 0 304.434 3.363 50 0 DGAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000075572715 431486641 /nfs/dbraw/zinc/48/66/41/431486641.db2.gz MVYIVVBGOJMVDA-QAPCUYQASA-N 1 0 312.413 3.035 50 0 DGAARO c1ccc2c(c1)ccc1nnc(SCC[NH+]3CCCCC3)n12 ZINC000011907570 431489035 /nfs/dbraw/zinc/48/90/35/431489035.db2.gz GWHSEPAIYOHWPM-UHFFFAOYSA-N 1 0 312.442 3.461 50 0 DGAARO Cc1c([C@@H](C)[NH2+]CC(C)(C)CO)cnn1-c1ccc(F)cc1F ZINC000012072831 431490915 /nfs/dbraw/zinc/49/09/15/431490915.db2.gz ZFXWHLFDPPFYQU-LLVKDONJSA-N 1 0 323.387 3.128 50 0 DGAARO OC1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000012540632 431515784 /nfs/dbraw/zinc/51/57/84/431515784.db2.gz GNWRJNFARBVLLK-UHFFFAOYSA-N 1 0 313.426 3.020 50 0 DGAARO Cc1ccc(CC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000012890320 431535483 /nfs/dbraw/zinc/53/54/83/431535483.db2.gz KORSPLZLYVGXAV-SFHVURJKSA-N 1 0 314.404 3.096 50 0 DGAARO CCCCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012971263 431538475 /nfs/dbraw/zinc/53/84/75/431538475.db2.gz ZRAVQFGGECTWKX-UHFFFAOYSA-N 1 0 303.450 3.140 50 0 DGAARO O=C(Nc1cccc(Cl)c1F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000076332171 431539183 /nfs/dbraw/zinc/53/91/83/431539183.db2.gz BGIGNSOODHQFBT-NSHDSACASA-N 1 0 311.788 3.181 50 0 DGAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCCCCC2)c1C ZINC000013058015 431543032 /nfs/dbraw/zinc/54/30/32/431543032.db2.gz ZOPVZLGKEGPZMP-AWEZNQCLSA-N 1 0 320.433 3.255 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000013326241 431552318 /nfs/dbraw/zinc/55/23/18/431552318.db2.gz PVZNCUDMLOSYHK-UHFFFAOYSA-N 1 0 301.217 3.208 50 0 DGAARO C(=C/c1ccccc1)\CSc1nnc(C2CC[NH2+]CC2)o1 ZINC000013362285 431554873 /nfs/dbraw/zinc/55/48/73/431554873.db2.gz KAJAXPYUFHCFTG-QPJJXVBHSA-N 1 0 301.415 3.342 50 0 DGAARO Cc1c(-c2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000008878584 280195912 /nfs/dbraw/zinc/19/59/12/280195912.db2.gz VLULKZMTQBBEHQ-UHFFFAOYSA-N 1 0 324.453 3.419 50 0 DGAARO Cc1c(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cnn1C ZINC000095423925 280225033 /nfs/dbraw/zinc/22/50/33/280225033.db2.gz NFBPJGRSZOVJEF-KRWDZBQOSA-N 1 0 311.429 3.307 50 0 DGAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1cccc2cccnc21 ZINC000062001492 280305097 /nfs/dbraw/zinc/30/50/97/280305097.db2.gz OKWNDTMHYVBTOU-QUCCMNQESA-N 1 0 315.376 3.159 50 0 biogenic DGAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000077440677 431595090 /nfs/dbraw/zinc/59/50/90/431595090.db2.gz ZVFIPJRVVWLNOK-MRXNPFEDSA-N 1 0 323.396 3.261 50 0 DGAARO CN1CCC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3)C2)C1=O ZINC000014977134 431599010 /nfs/dbraw/zinc/59/90/10/431599010.db2.gz FFFSZDLXQURRCV-HXUWFJFHSA-N 1 0 308.425 3.284 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 ZINC000014903539 431599036 /nfs/dbraw/zinc/59/90/36/431599036.db2.gz BJNPVXNSOUBGGS-HHNLSAEISA-N 1 0 312.413 3.492 50 0 DGAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]C1CCSCC1 ZINC000015069141 431600900 /nfs/dbraw/zinc/60/09/00/431600900.db2.gz JOYNFWAOQURBGG-GFCCVEGCSA-N 1 0 314.458 3.393 50 0 DGAARO CCCn1c2ccccc2nc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000077290904 431582989 /nfs/dbraw/zinc/58/29/89/431582989.db2.gz XWIOTFLMICSURA-OAHLLOKOSA-N 1 0 312.461 3.020 50 0 DGAARO Fc1ccc2[nH]c(C3CC[NH+](Cc4ccccn4)CC3)nc2c1 ZINC000077322777 431584566 /nfs/dbraw/zinc/58/45/66/431584566.db2.gz UYIKYJLNHJEVAD-UHFFFAOYSA-N 1 0 310.376 3.477 50 0 DGAARO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCCC1 ZINC000014201161 431586078 /nfs/dbraw/zinc/58/60/78/431586078.db2.gz FNLTZLMFEBBFEW-UHFFFAOYSA-N 1 0 305.809 3.112 50 0 DGAARO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000017245377 431614999 /nfs/dbraw/zinc/61/49/99/431614999.db2.gz VDCAHDGCQYGKRX-WCQYABFASA-N 1 0 318.244 3.465 50 0 DGAARO OCc1nc2ccccc2n1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000025763920 431666573 /nfs/dbraw/zinc/66/65/73/431666573.db2.gz ZMOFNRIVAAJZFR-UHFFFAOYSA-N 1 0 319.408 3.275 50 0 DGAARO CC[N@H+](C)CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000078678887 431696677 /nfs/dbraw/zinc/69/66/77/431696677.db2.gz WKOMCXMWPAHDJB-UHFFFAOYSA-N 1 0 314.404 3.483 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[NH2+]Cc2ccco2)c2ccc(F)cc12 ZINC000028297184 431706380 /nfs/dbraw/zinc/70/63/80/431706380.db2.gz LBQVPLSLINQRDH-OAHLLOKOSA-N 1 0 316.376 3.141 50 0 DGAARO CC(C)n1cc(CCC(=O)NCCC[NH+](C)C)c2ccccc21 ZINC000079501402 431724423 /nfs/dbraw/zinc/72/44/23/431724423.db2.gz UYFSDBQTCMQZMN-UHFFFAOYSA-N 1 0 315.461 3.223 50 0 DGAARO O=C(/C=C/c1ccccc1F)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030319810 431739696 /nfs/dbraw/zinc/73/96/96/431739696.db2.gz JBOGTIHIABAUEW-MDZDMXLPSA-N 1 0 324.399 3.013 50 0 DGAARO O=C(Nc1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000031090809 431753276 /nfs/dbraw/zinc/75/32/76/431753276.db2.gz KGIBGQWJEHYILI-UHFFFAOYSA-N 1 0 315.442 3.488 50 0 DGAARO C[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032779373 431790997 /nfs/dbraw/zinc/79/09/97/431790997.db2.gz RDTJYYSKQKYZCL-MRXNPFEDSA-N 1 0 315.461 3.235 50 0 DGAARO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000032912074 431798099 /nfs/dbraw/zinc/79/80/99/431798099.db2.gz PVRAORIMQXTGRF-IBGZPJMESA-N 1 0 308.425 3.389 50 0 DGAARO Cc1cn2c(nc(C[N@H+](C)Cc3ccc(C)cc3)cc2=O)s1 ZINC000033068936 431806610 /nfs/dbraw/zinc/80/66/10/431806610.db2.gz KPCLBRTYDGYOKZ-UHFFFAOYSA-N 1 0 313.426 3.005 50 0 DGAARO CCC[N@@H+]1CCc2nc(SCc3ccccc3)[nH]c(=O)c2C1 ZINC000033287214 431812865 /nfs/dbraw/zinc/81/28/65/431812865.db2.gz KHVJOBFMFJQROC-UHFFFAOYSA-N 1 0 315.442 3.243 50 0 DGAARO CCCC[NH2+][C@H](CN1CCCCC1)Oc1ccccc1OC ZINC000033619184 431814014 /nfs/dbraw/zinc/81/40/14/431814014.db2.gz XGVSPFYWCCLYBO-SFHVURJKSA-N 1 0 306.450 3.276 50 0 DGAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000036869666 431841663 /nfs/dbraw/zinc/84/16/63/431841663.db2.gz QVHFAMAWDPXLLD-CQSZACIVSA-N 1 0 305.809 3.112 50 0 DGAARO COc1ccccc1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000040157951 431857376 /nfs/dbraw/zinc/85/73/76/431857376.db2.gz FMSZOFHRQOMJSK-UHFFFAOYSA-N 1 0 324.424 3.221 50 0 DGAARO CCc1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000089286792 431862457 /nfs/dbraw/zinc/86/24/57/431862457.db2.gz LYDUTSPNBPCMAT-UHFFFAOYSA-N 1 0 320.433 3.441 50 0 DGAARO CS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000089319434 431863522 /nfs/dbraw/zinc/86/35/22/431863522.db2.gz OFFPAQDWPSWJQS-JKSUJKDBSA-N 1 0 321.490 3.496 50 0 DGAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000042904389 431866376 /nfs/dbraw/zinc/86/63/76/431866376.db2.gz PVMQGYYRDWZSQZ-UHFFFAOYSA-N 1 0 317.396 3.285 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCn2cnc3c(Cl)cccc3c2=O)C1 ZINC000043089104 431867210 /nfs/dbraw/zinc/86/72/10/431867210.db2.gz LDHBXILIVNSRBO-STQMWFEESA-N 1 0 319.836 3.028 50 0 DGAARO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1sc(C)nc1C)c1ccccc1 ZINC000089559222 431870252 /nfs/dbraw/zinc/87/02/52/431870252.db2.gz CJRQHRBXQDSJKE-ZBEGNZNMSA-N 1 0 318.442 3.400 50 0 DGAARO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccccc1 ZINC000089559219 431870306 /nfs/dbraw/zinc/87/03/06/431870306.db2.gz CJRQHRBXQDSJKE-MEDUHNTESA-N 1 0 318.442 3.400 50 0 DGAARO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccccc1 ZINC000089559214 431870570 /nfs/dbraw/zinc/87/05/70/431870570.db2.gz CJRQHRBXQDSJKE-BDJLRTHQSA-N 1 0 318.442 3.400 50 0 DGAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](F)C1 ZINC000034531716 431820412 /nfs/dbraw/zinc/82/04/12/431820412.db2.gz JXBLMDWEOQDVAC-HUUCEWRRSA-N 1 0 308.397 3.124 50 0 DGAARO c1ccc(CCC[NH+]2CCN(CCc3ccccc3)CC2)cc1 ZINC000034946822 431820931 /nfs/dbraw/zinc/82/09/31/431820931.db2.gz YASKXVBOOYYZMJ-UHFFFAOYSA-N 1 0 308.469 3.480 50 0 DGAARO Cc1cnc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cn1 ZINC000084258387 431821900 /nfs/dbraw/zinc/82/19/00/431821900.db2.gz NYLAKSMLXHCUEI-LJQANCHMSA-N 1 0 311.429 3.047 50 0 DGAARO COc1ccc(CC[NH2+][C@H]2CCc3ccccc3NC2=O)cc1 ZINC000036585023 431839354 /nfs/dbraw/zinc/83/93/54/431839354.db2.gz HRXPSPDAQKNYEO-SFHVURJKSA-N 1 0 310.397 3.430 50 0 DGAARO COc1ccc(CC[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000036585021 431839748 /nfs/dbraw/zinc/83/97/48/431839748.db2.gz HRXPSPDAQKNYEO-GOSISDBHSA-N 1 0 310.397 3.430 50 0 DGAARO O=C(/C=C/c1cccnc1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000047452440 431909907 /nfs/dbraw/zinc/90/99/07/431909907.db2.gz CBDOFUMHCHYNNE-CMDGGOBGSA-N 1 0 307.397 3.329 50 0 DGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C(C)C ZINC000047686007 431914747 /nfs/dbraw/zinc/91/47/47/431914747.db2.gz YYWGBMGUOOLKHZ-OAHLLOKOSA-N 1 0 305.466 3.372 50 0 DGAARO COc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000047794745 431915523 /nfs/dbraw/zinc/91/55/23/431915523.db2.gz VUOUDPHOGNAMNG-IBGZPJMESA-N 1 0 324.424 3.149 50 0 DGAARO CCCc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)sc1C ZINC000048251760 431921291 /nfs/dbraw/zinc/92/12/91/431921291.db2.gz FZNZEKQGZKWWJS-LSDHHAIUSA-N 1 0 306.475 3.366 50 0 DGAARO O[C@H](COCc1ccco1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000048277776 431922576 /nfs/dbraw/zinc/92/25/76/431922576.db2.gz ZZNPBETXQKRFTD-DZGCQCFKSA-N 1 0 307.415 3.056 50 0 DGAARO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H](C)C2)c1 ZINC000048324650 431922720 /nfs/dbraw/zinc/92/27/20/431922720.db2.gz KMGUQQLQUFMAFZ-CRAIPNDOSA-N 1 0 316.445 3.091 50 0 DGAARO COc1ccc2c(c1)CC[N@@H+](CC[C@H](O)c1ccccc1)CC2 ZINC000095356922 431922862 /nfs/dbraw/zinc/92/28/62/431922862.db2.gz JBUGLDANZJFKLX-FQEVSTJZSA-N 1 0 311.425 3.220 50 0 DGAARO Cc1c(Cl)cc(C(=O)N2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1Cl ZINC000095362347 431923562 /nfs/dbraw/zinc/92/35/62/431923562.db2.gz ZMIRJCYHWMMGHB-IINYFYTJSA-N 1 0 313.228 3.126 50 0 DGAARO Cc1nc2sccc2c(N2CC([N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000095370427 431923920 /nfs/dbraw/zinc/92/39/20/431923920.db2.gz KUJSAEYYPWBSOT-NSHDSACASA-N 1 0 302.447 3.063 50 0 DGAARO CCCc1nc(C)c(CNC(=O)CC2CC[NH+](CC)CC2)s1 ZINC000095384134 431924306 /nfs/dbraw/zinc/92/43/06/431924306.db2.gz LEHBDZRPMZUEMF-UHFFFAOYSA-N 1 0 323.506 3.142 50 0 DGAARO Cc1cc(N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)nc(N)[nH+]1 ZINC000095379279 431924372 /nfs/dbraw/zinc/92/43/72/431924372.db2.gz PWNFDEAVYUCHND-LJQANCHMSA-N 1 0 322.412 3.202 50 0 DGAARO CCC[C@H]1c2ccccc2CC[N@H+]1CCCCS(C)(=O)=O ZINC000095413914 431925181 /nfs/dbraw/zinc/92/51/81/431925181.db2.gz SEKVIVRUJKSBKB-KRWDZBQOSA-N 1 0 309.475 3.211 50 0 DGAARO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccs1 ZINC000095422558 431925236 /nfs/dbraw/zinc/92/52/36/431925236.db2.gz SWWTVZSJSRQELA-TZMCWYRMSA-N 1 0 300.427 3.484 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cccnc1 ZINC000044889735 431878574 /nfs/dbraw/zinc/87/85/74/431878574.db2.gz SMFWDOGNXDJIBI-OAHLLOKOSA-N 1 0 314.389 3.023 50 0 DGAARO Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC000044951243 431879407 /nfs/dbraw/zinc/87/94/07/431879407.db2.gz RESQXFRBMBCMIC-JSGCOSHPSA-N 1 0 321.446 3.313 50 0 DGAARO O=C(OCC1CC[NH+](Cc2ccco2)CC1)c1ccc(F)cc1 ZINC000089797753 431879891 /nfs/dbraw/zinc/87/98/91/431879891.db2.gz WEGKLOVVQDHRPN-UHFFFAOYSA-N 1 0 317.360 3.488 50 0 DGAARO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccncc1)c1ccco1 ZINC000089832642 431881756 /nfs/dbraw/zinc/88/17/56/431881756.db2.gz DWYRHEKFLSTLGK-GOSISDBHSA-N 1 0 308.381 3.410 50 0 DGAARO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 ZINC000095422865 431925468 /nfs/dbraw/zinc/92/54/68/431925468.db2.gz FNPQCDJKTZNANN-JQWIXIFHSA-N 1 0 314.401 3.273 50 0 DGAARO C[C@@H](CNC(=O)c1cccc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000045464870 431885859 /nfs/dbraw/zinc/88/58/59/431885859.db2.gz CQZLKLGFDGROHO-AWEZNQCLSA-N 1 0 312.388 3.002 50 0 DGAARO C[C@@H]1C[N@@H+](Cc2cccc(NCc3cscn3)c2)C[C@H](C)O1 ZINC000089936703 431886355 /nfs/dbraw/zinc/88/63/55/431886355.db2.gz NJUFFMOQJLMUHR-OKILXGFUSA-N 1 0 317.458 3.364 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)CCO2 ZINC000046989878 431903478 /nfs/dbraw/zinc/90/34/78/431903478.db2.gz ZFXFDGTWSRQRJN-OAHLLOKOSA-N 1 0 316.445 3.006 50 0 DGAARO c1cc(-c2ccc(C[NH+]3CCC(c4cc[nH]n4)CC3)s2)n[nH]1 ZINC000097594837 431971862 /nfs/dbraw/zinc/97/18/62/431971862.db2.gz IPMONGNMSHMPHL-UHFFFAOYSA-N 1 0 313.430 3.241 50 0 DGAARO C[N@@H+]1CCCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC000097617093 431972250 /nfs/dbraw/zinc/97/22/50/431972250.db2.gz YQOGPQFVHVMUOZ-UHFFFAOYSA-N 1 0 300.427 3.193 50 0 DGAARO COc1ccc(F)c(C[NH+]2CCC(Cn3ccnc3C)CC2)c1 ZINC000097610279 431972301 /nfs/dbraw/zinc/97/23/01/431972301.db2.gz BOORSPYATRGFLH-UHFFFAOYSA-N 1 0 317.408 3.251 50 0 DGAARO C[NH+](C)[C@@H](CNc1ncnc2sccc21)c1cccs1 ZINC000054771837 431973149 /nfs/dbraw/zinc/97/31/49/431973149.db2.gz ZDYMMBVFXYTRKS-NSHDSACASA-N 1 0 304.444 3.468 50 0 DGAARO Cc1occc1C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000054703270 431973711 /nfs/dbraw/zinc/97/37/11/431973711.db2.gz NPPSAGQNYWQHAZ-UHFFFAOYSA-N 1 0 300.402 3.358 50 0 DGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000055383046 431980825 /nfs/dbraw/zinc/98/08/25/431980825.db2.gz YJCNPVVANLMVNQ-OAHLLOKOSA-N 1 0 312.413 3.224 50 0 DGAARO CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CCOC(C)(C)C1 ZINC000097766756 431974292 /nfs/dbraw/zinc/97/42/92/431974292.db2.gz YNFCWIDZPMEPKW-ZDUSSCGKSA-N 1 0 303.406 3.449 50 0 DGAARO COc1ccc(Cl)cc1CN(C)C(=O)C[C@H]1CCCC[N@@H+]1C ZINC000097785551 431974973 /nfs/dbraw/zinc/97/49/73/431974973.db2.gz PUSDAHJHWSSULE-OAHLLOKOSA-N 1 0 324.852 3.181 50 0 DGAARO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000097785619 431975138 /nfs/dbraw/zinc/97/51/38/431975138.db2.gz RBMZILLJPPXTGG-FQEVSTJZSA-N 1 0 322.452 3.419 50 0 DGAARO c1cc(-c2cccnc2)oc1C[NH2+]CCc1cn2c(n1)CCCC2 ZINC000097922861 431975415 /nfs/dbraw/zinc/97/54/15/431975415.db2.gz OZRGKAGZIWJNCF-UHFFFAOYSA-N 1 0 322.412 3.207 50 0 DGAARO COc1ccc(C[N@@H+](Cc2ccccn2)CC(C)C)cc1CO ZINC000055098781 431976649 /nfs/dbraw/zinc/97/66/49/431976649.db2.gz FGHKPXAZCULQMQ-UHFFFAOYSA-N 1 0 314.429 3.241 50 0 DGAARO Cc1ccc(OC[C@@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000055283319 431978836 /nfs/dbraw/zinc/97/88/36/431978836.db2.gz RTZKVEDJCVJQIN-MRXNPFEDSA-N 1 0 315.413 3.371 50 0 DGAARO O=C(/C=C/c1ccccn1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000055308156 431979237 /nfs/dbraw/zinc/97/92/37/431979237.db2.gz IUYSHACEGVTKML-MDZDMXLPSA-N 1 0 307.397 3.329 50 0 DGAARO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000095943531 431927317 /nfs/dbraw/zinc/92/73/17/431927317.db2.gz CQDGOPJCQIYBHB-PSASIEDQSA-N 1 0 319.232 3.378 50 0 DGAARO CC(C)OCCC[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000095958278 431927881 /nfs/dbraw/zinc/92/78/81/431927881.db2.gz CWXPPRNAKBNJDL-INIZCTEOSA-N 1 0 324.852 3.192 50 0 DGAARO C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000095968092 431928919 /nfs/dbraw/zinc/92/89/19/431928919.db2.gz ULCJAOGYZDLYKO-AUUYWEPGSA-N 1 0 320.452 3.244 50 0 DGAARO CC(C)[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H](C)O ZINC000095963691 431929051 /nfs/dbraw/zinc/92/90/51/431929051.db2.gz 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311.495 3.417 50 0 DGAARO Fc1cccc(CN2CCC([NH2+]C[C@H]3CCCS3)CC2)c1 ZINC000096479267 431953271 /nfs/dbraw/zinc/95/32/71/431953271.db2.gz DIMGLLSGTRECBC-QGZVFWFLSA-N 1 0 308.466 3.275 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(C(C)C)nc32)C12CCC2 ZINC000096493441 431953899 /nfs/dbraw/zinc/95/38/99/431953899.db2.gz ONUHLDHJDIIEAH-QLFBSQMISA-N 1 0 318.465 3.174 50 0 DGAARO COc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)ccc1F ZINC000096489378 431953923 /nfs/dbraw/zinc/95/39/23/431953923.db2.gz AKAAWMPZMUVNBJ-GXTWGEPZSA-N 1 0 303.381 3.005 50 0 DGAARO C[C@H](C[NH2+][C@@H](C)c1cccc2ccccc21)CS(C)(=O)=O ZINC000096490752 431954129 /nfs/dbraw/zinc/95/41/29/431954129.db2.gz ALHBPOGDAOMIGP-KGLIPLIRSA-N 1 0 305.443 3.171 50 0 DGAARO CN1CCC([NH2+]CCOCc2ccc(Cl)cc2Cl)CC1 ZINC000096493963 431954505 /nfs/dbraw/zinc/95/45/05/431954505.db2.gz AQMLTXOGZNEUOL-UHFFFAOYSA-N 1 0 317.260 3.194 50 0 DGAARO C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)CC1CC1 ZINC000052127970 431954769 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Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)on1 ZINC000097111478 431962052 /nfs/dbraw/zinc/96/20/52/431962052.db2.gz GJWARTSQRLJHDZ-DTWKUNHWSA-N 1 0 313.810 3.376 50 0 DGAARO O=C1[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCCN1c1cccnc1 ZINC000097108626 431962083 /nfs/dbraw/zinc/96/20/83/431962083.db2.gz UOYFBCXMVHFOEX-LZLYRXPVSA-N 1 0 313.445 3.135 50 0 DGAARO Cc1ccc(-c2cccc(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)c2)o1 ZINC000097155818 431963057 /nfs/dbraw/zinc/96/30/57/431963057.db2.gz DMNIAESBLKCDNG-SJORKVTESA-N 1 0 310.397 3.222 50 0 DGAARO CC(=O)N1CC[C@@H](C[N@@H+](C)CCc2ccc(C(C)C)cc2)C1 ZINC000097162690 431963362 /nfs/dbraw/zinc/96/33/62/431963362.db2.gz DTDDOPVNDLSXSC-SFHVURJKSA-N 1 0 302.462 3.153 50 0 DGAARO O[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)c1ccccc1F ZINC000097159179 431963475 /nfs/dbraw/zinc/96/34/75/431963475.db2.gz KZDYWAPIEFPWOT-AWEZNQCLSA-N 1 0 317.389 3.101 50 0 DGAARO Cn1cc(CC[N@H+](C)Cc2ccc(C(F)(F)F)cc2F)cn1 ZINC000097272497 431967252 /nfs/dbraw/zinc/96/72/52/431967252.db2.gz 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Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)c(SC(F)(F)F)c1 ZINC000253432873 432397975 /nfs/dbraw/zinc/39/79/75/432397975.db2.gz PGUUPZWSJCCIGC-SECBINFHSA-N 1 0 304.337 3.155 50 0 DGAARO COc1ccc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cncn2)cc1Cl ZINC000253606002 432400344 /nfs/dbraw/zinc/40/03/44/432400344.db2.gz HQXBMVLBOWDKEP-JSGCOSHPSA-N 1 0 320.824 3.166 50 0 DGAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccncc2F)C1 ZINC000184184854 432364251 /nfs/dbraw/zinc/36/42/51/432364251.db2.gz MWKKGMSYBDEXCU-CYBMUJFWSA-N 1 0 322.428 3.243 50 0 DGAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C)CC1 ZINC000175391651 432431155 /nfs/dbraw/zinc/43/11/55/432431155.db2.gz IDZKRAHZSYDHIG-INIZCTEOSA-N 1 0 315.461 3.153 50 0 DGAARO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000261709765 432442601 /nfs/dbraw/zinc/44/26/01/432442601.db2.gz PLPAIDBWOXPMHY-KRWDZBQOSA-N 1 0 324.428 3.380 50 0 DGAARO COc1cc(C[NH+]2CCC3(CC[C@H]3O)CC2)ccc1OC(C)C ZINC000257187525 432415852 /nfs/dbraw/zinc/41/58/52/432415852.db2.gz 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Cc1ccc2nc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)cc(=O)n2c1 ZINC000230246274 432726417 /nfs/dbraw/zinc/72/64/17/432726417.db2.gz IJWLSHRONAPGEC-NVXWUHKLSA-N 1 0 311.429 3.158 50 0 DGAARO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720493 432723106 /nfs/dbraw/zinc/72/31/06/432723106.db2.gz QBRKNQWLMQZDOJ-KBAYOESNSA-N 1 0 300.446 3.171 50 0 DGAARO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[N@H+](C)C[C@@H]1C ZINC000229806796 432723430 /nfs/dbraw/zinc/72/34/30/432723430.db2.gz FWOZSCZVIKOMRB-NWDGAFQWSA-N 1 0 320.824 3.087 50 0 DGAARO [NH3+]C1CC(c2cc(NCCSC3CCCCC3)ncn2)C1 ZINC000223696259 432677445 /nfs/dbraw/zinc/67/74/45/432677445.db2.gz BRLBNZPZFGVDEE-UHFFFAOYSA-N 1 0 306.479 3.159 50 0 DGAARO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)cc1Br ZINC000225352756 432689995 /nfs/dbraw/zinc/68/99/95/432689995.db2.gz WSBZAJISEKCYTD-SWLSCSKDSA-N 1 0 312.251 3.350 50 0 DGAARO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000225417520 432690005 /nfs/dbraw/zinc/69/00/05/432690005.db2.gz 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432830535 /nfs/dbraw/zinc/83/05/35/432830535.db2.gz VBUAARKSCZFHPG-UHFFFAOYSA-N 1 0 322.456 3.290 50 0 DGAARO CCCn1nc(C)c(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1C ZINC000241316662 432815317 /nfs/dbraw/zinc/81/53/17/432815317.db2.gz LTWQWLLWMVYUCR-KDOFPFPSSA-N 1 0 306.498 3.072 50 0 DGAARO Cc1cn2c(C[N@@H+](C)[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)c(C)nc2s1 ZINC000241277705 432815394 /nfs/dbraw/zinc/81/53/94/432815394.db2.gz LILIQKTWVPLHGU-YUELXQCFSA-N 1 0 319.474 3.258 50 0 DGAARO [NH3+]Cc1nc2cc(Cl)ccc2c(NCc2ccc(F)cc2)n1 ZINC000299792314 433386418 /nfs/dbraw/zinc/38/64/18/433386418.db2.gz DNQZYCWPDNFHRT-UHFFFAOYSA-N 1 0 316.767 3.493 50 0 DGAARO CNC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000006491593 290347244 /nfs/dbraw/zinc/34/72/44/290347244.db2.gz LNAGWQRZAGHEBH-MRXNPFEDSA-N 1 0 310.441 3.059 50 0 DGAARO Cc1nnc2ncc(-c3ccc([C@@H](C)[NH+]4CCCC4)cc3)cn12 ZINC000426493990 433512001 /nfs/dbraw/zinc/51/20/01/433512001.db2.gz IZNLSTMPVKJIDW-CYBMUJFWSA-N 1 0 307.401 3.257 50 0 DGAARO C[C@H](C(=O)NCCCSCc1ccccc1Cl)[NH+](C)C ZINC000426491594 433513843 /nfs/dbraw/zinc/51/38/43/433513843.db2.gz WJBAHHXYNVCQND-GFCCVEGCSA-N 1 0 314.882 3.030 50 0 DGAARO Clc1ccccc1-c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]32)o1 ZINC000426399275 433487436 /nfs/dbraw/zinc/48/74/36/433487436.db2.gz SOEOGBMWAYIHQU-BLLLJJGKSA-N 1 0 302.805 3.394 50 0 DGAARO COc1ccc(O)c(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000426653071 433552573 /nfs/dbraw/zinc/55/25/73/433552573.db2.gz YYRRFIBAYRPATM-CQSZACIVSA-N 1 0 313.397 3.461 50 0 DGAARO Cc1nnc2ncc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)cn12 ZINC000426727299 433573767 /nfs/dbraw/zinc/57/37/67/433573767.db2.gz BKQBYLAHFDSXJJ-ZDUSSCGKSA-N 1 0 307.401 3.257 50 0 DGAARO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccncc1Cl ZINC000421846898 433768798 /nfs/dbraw/zinc/76/87/98/433768798.db2.gz VCYALABSBQJLDH-LLVKDONJSA-N 1 0 323.849 3.267 50 0 DGAARO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000375270148 293505235 /nfs/dbraw/zinc/50/52/35/293505235.db2.gz UIRDNPCFCDPWRE-MRXNPFEDSA-N 1 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C[C@@H](C1CC(F)(F)C1)N(CC[NH3+])c1ccc2ccccc2n1 ZINC000529608330 313238412 /nfs/dbraw/zinc/23/84/12/313238412.db2.gz MIUGYXCCAXQHPQ-LBPRGKRZSA-N 1 0 305.372 3.434 50 0 DGAARO COc1ccccc1/C=C\C[NH+]1CCC(c2ccnn2C)CC1 ZINC000536657773 313776592 /nfs/dbraw/zinc/77/65/92/313776592.db2.gz PGKGYHJNYIJXLN-ALCCZGGFSA-N 1 0 311.429 3.322 50 0 DGAARO C(=C\[C@H]1CCC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2)\c1ccccc1 ZINC000542802406 314098971 /nfs/dbraw/zinc/09/89/71/314098971.db2.gz CRXVZMZLNHDRHT-RGOLFUFTSA-N 1 0 312.457 3.027 50 0 DGAARO Cc1nc2c(c(NC[C@@H](CCO)c3ccccc3)n1)CCCC2 ZINC000180438143 323229289 /nfs/dbraw/zinc/22/92/89/323229289.db2.gz MZFVPJFDLUNYQP-MRXNPFEDSA-N 1 0 311.429 3.242 50 0 DGAARO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185010670 323378384 /nfs/dbraw/zinc/37/83/84/323378384.db2.gz CCBXPUKKYHXDRL-ZDUSSCGKSA-N 1 0 308.385 3.022 50 0 DGAARO COc1cccc(C2=CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000089469696 332070370 /nfs/dbraw/zinc/07/03/70/332070370.db2.gz XVFVJNDMJWSZMP-UHFFFAOYSA-N 1 0 322.408 3.423 50 0 DGAARO COCC[N@@H+](Cc1[nH]c2ccc(F)cc2c1C)C[C@H]1CCCO1 ZINC000215947909 333387373 /nfs/dbraw/zinc/38/73/73/333387373.db2.gz TUTKQPCXSRIHDL-OAHLLOKOSA-N 1 0 320.408 3.243 50 0 DGAARO CC[N@H+](C)[C@H](C)CCNC(=O)N(C)Cc1cccc(SC)c1 ZINC000534581088 334289301 /nfs/dbraw/zinc/28/93/01/334289301.db2.gz ZQMPBUAZJVJRIL-CQSZACIVSA-N 1 0 323.506 3.280 50 0 DGAARO CC[C@H](CNC(=O)N(CC)Cc1ccccc1Cl)[NH+](C)C ZINC000534651092 334311914 /nfs/dbraw/zinc/31/19/14/334311914.db2.gz KZVCOUMOWXOSPV-CQSZACIVSA-N 1 0 311.857 3.212 50 0 DGAARO COc1cc(OC)nc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000534648585 334316718 /nfs/dbraw/zinc/31/67/18/334316718.db2.gz RYKZEGPUIVNQGO-CYBMUJFWSA-N 1 0 313.401 3.318 50 0 DGAARO COc1cc(OC)nc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000534648586 334316829 /nfs/dbraw/zinc/31/68/29/334316829.db2.gz RYKZEGPUIVNQGO-ZDUSSCGKSA-N 1 0 313.401 3.318 50 0 DGAARO COc1nc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)ncc1F ZINC000534665503 334318457 /nfs/dbraw/zinc/31/84/57/334318457.db2.gz LSMMQWYMVSAJKE-LBPRGKRZSA-N 1 0 301.365 3.448 50 0 DGAARO O=C(Cc1ccc(Cl)cc1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000504400706 340147017 /nfs/dbraw/zinc/14/70/17/340147017.db2.gz GZRWUMIGVOLZJV-NVXWUHKLSA-N 1 0 320.864 3.263 50 0 DGAARO Cc1[nH+]c2cc(NCc3nc4ccccc4n3C)ccc2n1C ZINC000000034813 545643812 /nfs/dbraw/zinc/64/38/12/545643812.db2.gz YVKYOGYNOYIUGC-UHFFFAOYSA-N 1 0 305.385 3.381 50 0 DGAARO C[C@@H](CC1CCOCC1)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401162 545827081 /nfs/dbraw/zinc/82/70/81/545827081.db2.gz CCXZJIHRNLAVLH-ZDUSSCGKSA-N 1 0 317.458 3.500 50 0 DGAARO Cc1cc(NC(=O)C[NH2+]C(C)(C)CC2CCCCCC2)n(C)n1 ZINC000170086819 546100235 /nfs/dbraw/zinc/10/02/35/546100235.db2.gz PNCYNQVSMBZXDN-UHFFFAOYSA-N 1 0 320.481 3.396 50 0 DGAARO CCCc1ccc(C[N@@H+]2CCCN(Cc3ccccn3)CC2)o1 ZINC000215104237 546261115 /nfs/dbraw/zinc/26/11/15/546261115.db2.gz HDAWZJMKWBWCEK-UHFFFAOYSA-N 1 0 313.445 3.335 50 0 DGAARO CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1ccccc1-c1ccco1 ZINC000215543379 546262103 /nfs/dbraw/zinc/26/21/03/546262103.db2.gz HZATZHXCXGQBCB-CVEARBPZSA-N 1 0 310.397 3.142 50 0 DGAARO Cc1ccc(SC2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1 ZINC000670451522 547756207 /nfs/dbraw/zinc/75/62/07/547756207.db2.gz ZFGJTTWNKGDRGH-HNNXBMFYSA-N 1 0 318.486 3.220 50 0 DGAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CC[C@@H](O)c1ccccc1 ZINC000670458273 547756846 /nfs/dbraw/zinc/75/68/46/547756846.db2.gz HZCDYFKLEQCLTM-GOSISDBHSA-N 1 0 301.434 3.015 50 0 DGAARO C[NH+](C)C1(Cn2cnc3cccc(Cl)c3c2=O)CCCCC1 ZINC000670461987 547758165 /nfs/dbraw/zinc/75/81/65/547758165.db2.gz JPEZTXSUQCWNRW-UHFFFAOYSA-N 1 0 319.836 3.314 50 0 DGAARO Fc1ccc2[nH]c(C3CC[NH+]([C@H]4CCSC4)CC3)nc2c1 ZINC000670469510 547758242 /nfs/dbraw/zinc/75/82/42/547758242.db2.gz XHNUCNAFLUTQJQ-ZDUSSCGKSA-N 1 0 305.422 3.387 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000675050877 548148002 /nfs/dbraw/zinc/14/80/02/548148002.db2.gz XAHPMABSQFIUEJ-CQSZACIVSA-N 1 0 318.417 3.157 50 0 DGAARO CC(C)(C(=O)N[C@H](c1ccccc1)c1ccncc1)[NH+]1CCCC1 ZINC000299756459 563804338 /nfs/dbraw/zinc/80/43/38/563804338.db2.gz ISYUNZKKENCHBJ-GOSISDBHSA-N 1 0 323.440 3.162 50 0 DGAARO CN(C)C1(C[NH2+]C2CC(Sc3ccccc3)C2)CCOCC1 ZINC000863984681 621724685 /nfs/dbraw/zinc/72/46/85/621724685.db2.gz YQPULAPTAOEECI-UHFFFAOYSA-N 1 0 320.502 3.010 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)C1(Br)CC1 ZINC000863983638 621724828 /nfs/dbraw/zinc/72/48/28/621724828.db2.gz KHQQPQHFRFJZJO-TZMCWYRMSA-N 1 0 312.251 3.058 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)C1(Br)CC1 ZINC000863983979 621724891 /nfs/dbraw/zinc/72/48/91/621724891.db2.gz PFEXKOWZMOTDCC-LLVKDONJSA-N 1 0 322.250 3.250 50 0 DGAARO [NH3+]Cc1nocc1C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000864091971 621736134 /nfs/dbraw/zinc/73/61/34/621736134.db2.gz MFBLNCMSWJKGCK-UHFFFAOYSA-N 1 0 313.401 3.108 50 0 DGAARO CCC[C@@]1(CO)CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000808797153 626862273 /nfs/dbraw/zinc/86/22/73/626862273.db2.gz XQUDJKFLQUUUDA-MRXNPFEDSA-N 1 0 315.816 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Fc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000019642488 658675839 /nfs/dbraw/zinc/67/58/39/658675839.db2.gz MTXXXJXSILVMMP-KRWDZBQOSA-N 1 0 323.371 3.309 50 0 DGAARO COc1ccc(C[C@H](C[NH3+])CO)cc1-c1cccc2cccnc21 ZINC000935619770 661797028 /nfs/dbraw/zinc/79/70/28/661797028.db2.gz ZWLLQIILBFCAKU-OAHLLOKOSA-N 1 0 322.408 3.020 50 0 DGAARO c1ccc2c(c1)[nH+]ccc2N1CC[C@@H](OCc2ccncc2)C1 ZINC000192907124 662115533 /nfs/dbraw/zinc/11/55/33/662115533.db2.gz FDEIORHGMMCOST-MRXNPFEDSA-N 1 0 305.381 3.425 50 0 DGAARO CC[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(OC)cc1 ZINC000952962248 662208401 /nfs/dbraw/zinc/20/84/01/662208401.db2.gz BMEKADINTYOPEX-QGZVFWFLSA-N 1 0 304.434 3.139 50 0 DGAARO CCc1nc(C)c(C[NH2+][C@H]2CCCN(Cc3cccs3)C2)[nH]1 ZINC000952966290 662208776 /nfs/dbraw/zinc/20/87/76/662208776.db2.gz DNOVMMSYSOQCJI-AWEZNQCLSA-N 1 0 318.490 3.096 50 0 DGAARO Cc1nc2cc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)ccc2n1C ZINC000952981913 662210141 /nfs/dbraw/zinc/21/01/41/662210141.db2.gz 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ZINC001529153121 1187536872 /nfs/dbraw/zinc/53/68/72/1187536872.db2.gz QJXPAOROJVOXRS-GOSISDBHSA-N 1 0 317.454 3.442 50 0 DGAARO O=C(c1sccc1Cl)N1CCCN(Cc2ccoc2)CC1 ZINC001529168057 1187538352 /nfs/dbraw/zinc/53/83/52/1187538352.db2.gz VBAYODQATDINFH-UHFFFAOYSA-N 1 0 324.833 3.343 50 0 DGAARO O[C@@H]1C[N@@H+](C2CCCCC2)C[C@H]1Cc1ccc2ccccc2n1 ZINC001529174256 1187539287 /nfs/dbraw/zinc/53/92/87/1187539287.db2.gz RPTJZXJDINBZJR-OXQOHEQNSA-N 1 0 310.441 3.403 50 0 DGAARO COc1ccc(OCCC[N@@H+]2CCC[C@@]3(CCC[C@H]3O)C2)cc1 ZINC001704297018 1202519359 /nfs/dbraw/zinc/51/93/59/1202519359.db2.gz CMNFIIYFGUYGBT-MOPGFXCFSA-N 1 0 319.445 3.091 50 0 DGAARO c1cc2c(s1)CCOC21CC[NH+](Cc2ccccn2)CC1 ZINC001704300568 1202519578 /nfs/dbraw/zinc/51/95/78/1202519578.db2.gz YZDOTXXGRMJVMU-UHFFFAOYSA-N 1 0 300.427 3.207 50 0 DGAARO O[C@@H]1CCC[C@@]12CCC[N@H+](CCCOCc1ccccc1)C2 ZINC001704326545 1202521015 /nfs/dbraw/zinc/52/10/15/1202521015.db2.gz GQMJHUGLCGLCLQ-MOPGFXCFSA-N 1 0 303.446 3.220 50 0 DGAARO Clc1cnn(CC[N@@H+]2CCCC[C@H]2CCc2ccccn2)c1 ZINC001704347405 1202522196 /nfs/dbraw/zinc/52/21/96/1202522196.db2.gz KWOCTHSRPPGVJB-KRWDZBQOSA-N 1 0 318.852 3.419 50 0 DGAARO c1ccc(CO[C@H]2CCC[N@@H+](CCCc3cccnc3)C2)nc1 ZINC001704355014 1202522706 /nfs/dbraw/zinc/52/27/06/1202522706.db2.gz KMWASMRFVDHVOM-IBGZPJMESA-N 1 0 311.429 3.090 50 0 DGAARO Clc1ccc2c(c1)ncnc2N1CC[NH+](C2CCCC2)CC1 ZINC000032779329 721854976 /nfs/dbraw/zinc/85/49/76/721854976.db2.gz OFLMPMCJUKHVCJ-UHFFFAOYSA-N 1 0 316.836 3.348 50 0 DGAARO Cc1cnc(C2CN(C(=O)Nc3ccccc3)C2)n1CC1CC1 ZINC000581812932 1083038575 /nfs/dbraw/zinc/03/85/75/1083038575.db2.gz XBYWFRHCOBCTQI-UHFFFAOYSA-N 1 0 310.401 3.233 50 0 DGAARO CCc1noc(C)c1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000047452365 1083808409 /nfs/dbraw/zinc/80/84/09/1083808409.db2.gz YYPMQGHEIOHESU-UHFFFAOYSA-N 1 0 313.401 3.394 50 0 DGAARO CC(C)(C)c1ccc(OCc2n[nH]c([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000822264266 1091656593 /nfs/dbraw/zinc/65/65/93/1091656593.db2.gz LHBOIGWDVUVOKI-HNNXBMFYSA-N 1 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C[C@](O)(C[NH2+][C@H]1COCc2cccc(Cl)c21)c1ccsc1 ZINC000585081038 1094971799 /nfs/dbraw/zinc/97/17/99/1094971799.db2.gz JLJYTAUQIRMAQZ-HOCLYGCPSA-N 1 0 323.845 3.470 50 0 DGAARO CO[C@H](C)C[N@H+](C)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000585084436 1094977054 /nfs/dbraw/zinc/97/70/54/1094977054.db2.gz FFQFQVZBJJEIGI-CYBMUJFWSA-N 1 0 318.417 3.337 50 0 DGAARO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000585085013 1094980762 /nfs/dbraw/zinc/98/07/62/1094980762.db2.gz QYICSIHXHVIIJZ-QGZVFWFLSA-N 1 0 322.412 3.428 50 0 DGAARO Cc1ncoc1-c1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000585086285 1094984190 /nfs/dbraw/zinc/98/41/90/1094984190.db2.gz IKQOSVFZBXSTHD-HNNXBMFYSA-N 1 0 324.384 3.413 50 0 DGAARO CC1(C)CN(C(=O)c2ccccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000952845083 1096779017 /nfs/dbraw/zinc/77/90/17/1096779017.db2.gz XNJXKWODXHESGY-QGZVFWFLSA-N 1 0 316.445 3.207 50 0 DGAARO CC1(c2ccc(F)cc2)CC([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000952845793 1096779836 /nfs/dbraw/zinc/77/98/36/1096779836.db2.gz 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/nfs/dbraw/zinc/38/87/52/185388752.db2.gz DNOWLTOYFXKNIS-XHPSBEMXSA-N 1 0 304.415 3.082 50 0 DGAARO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@H](C)C1 ZINC000079361212 185167152 /nfs/dbraw/zinc/16/71/52/185167152.db2.gz NZIWTCZPYZZDGU-SJLPKXTDSA-N 1 0 324.509 3.210 50 0 DGAARO O=C(/C=C\c1ccco1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000096926282 185391928 /nfs/dbraw/zinc/39/19/28/185391928.db2.gz IIMQIXYBBCITAX-RXQFDZFGSA-N 1 0 310.397 3.246 50 0 DGAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000089948850 185270711 /nfs/dbraw/zinc/27/07/11/185270711.db2.gz JJAHZZOMSOGPDC-GUYCJALGSA-N 1 0 318.392 3.309 50 0 DGAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000089948838 185270801 /nfs/dbraw/zinc/27/08/01/185270801.db2.gz PRUTUQJHIAXEIC-YJBOKZPZSA-N 1 0 314.429 3.478 50 0 DGAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000089948840 185270930 /nfs/dbraw/zinc/27/09/30/185270930.db2.gz PRUTUQJHIAXEIC-MAUKXSAKSA-N 1 0 314.429 3.478 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](CC)C1 ZINC000089949064 185271087 /nfs/dbraw/zinc/27/10/87/185271087.db2.gz HACAQIDAPGULLZ-WMLDXEAASA-N 1 0 313.445 3.295 50 0 DGAARO CCCC[C@H](CC)C[NH+]1CCC(n2cc(CCCO)nn2)CC1 ZINC000063834422 432006295 /nfs/dbraw/zinc/00/62/95/432006295.db2.gz CZCPLJMWIYMWNP-INIZCTEOSA-N 1 0 322.497 3.056 50 0 DGAARO CCC[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2)C[C@H]1[NH+](C)C ZINC000082114440 192358303 /nfs/dbraw/zinc/35/83/03/192358303.db2.gz VUMAIYWMSDOLPS-IAQYHMDHSA-N 1 0 311.376 3.159 50 0 DGAARO Cc1ccc(O)c(C[NH+]2CCC(OC3CCCCC3)CC2)n1 ZINC000092736000 185337554 /nfs/dbraw/zinc/33/75/54/185337554.db2.gz XSISRVRNIOARHQ-UHFFFAOYSA-N 1 0 304.434 3.409 50 0 DGAARO Cc1cccc(OCCCN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000095394203 185352208 /nfs/dbraw/zinc/35/22/08/185352208.db2.gz ZQAOBMFSSZJUJN-GOSISDBHSA-N 1 0 302.462 3.324 50 0 DGAARO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000095401520 185354659 /nfs/dbraw/zinc/35/46/59/185354659.db2.gz 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c1cc2ncnc(N3CC[NH+](CC4CCCCC4)CC3)c2s1 ZINC000064129159 432008489 /nfs/dbraw/zinc/00/84/89/432008489.db2.gz MGWLNAHBALZFFM-UHFFFAOYSA-N 1 0 316.474 3.394 50 0 DGAARO Cc1ccc(C[N@H+]2CC=C(C(=O)NCc3ccco3)CC2)cc1 ZINC000064817980 432009895 /nfs/dbraw/zinc/00/98/95/432009895.db2.gz HLCRZEFFIUFBFW-UHFFFAOYSA-N 1 0 310.397 3.037 50 0 DGAARO Cc1cnc(C)c(N2CC[NH+](Cc3ccc(C)c(C)c3)CC2)n1 ZINC000065527108 432011595 /nfs/dbraw/zinc/01/15/95/432011595.db2.gz XNTDQSFFPRIXRG-UHFFFAOYSA-N 1 0 310.445 3.032 50 0 DGAARO Cc1nc(CC[NH2+]Cc2cnc(C)n2-c2ccccc2)cs1 ZINC000084014117 192395103 /nfs/dbraw/zinc/39/51/03/192395103.db2.gz FUTGFFVPTQZJTE-UHFFFAOYSA-N 1 0 312.442 3.278 50 0 DGAARO Cc1noc(C)c1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084023298 192396090 /nfs/dbraw/zinc/39/60/90/192396090.db2.gz XRDZFMNXQFULOR-QGZVFWFLSA-N 1 0 300.402 3.125 50 0 DGAARO CC(C)[C@H]1CN(C(=O)C2CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071750312 191022784 /nfs/dbraw/zinc/02/27/84/191022784.db2.gz JIPSMHZRRPZJAL-GOSISDBHSA-N 1 0 318.436 3.295 50 0 DGAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[C@H]([NH+](C)C)C1 ZINC000071757170 191025201 /nfs/dbraw/zinc/02/52/01/191025201.db2.gz DFPBAJFXEHXXBC-HNNXBMFYSA-N 1 0 319.836 3.439 50 0 DGAARO CC(C)N1C[C@@H](CC[NH3+])C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769359 191030461 /nfs/dbraw/zinc/03/04/61/191030461.db2.gz PWTYDFVDMFUTEH-LJQANCHMSA-N 1 0 322.452 3.188 50 0 DGAARO COc1ccccc1/C=C/CN1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000072124010 191041431 /nfs/dbraw/zinc/04/14/31/191041431.db2.gz CPPZMAHGBWDCRC-OJXHRBAXSA-N 1 0 300.446 3.267 50 0 DGAARO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072133046 191044601 /nfs/dbraw/zinc/04/46/01/191044601.db2.gz NZWPHLUQQOTBBL-MRXNPFEDSA-N 1 0 320.452 3.385 50 0 DGAARO c1cc2ccc(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)nc2[nH]1 ZINC000072145658 191050800 /nfs/dbraw/zinc/05/08/00/191050800.db2.gz DQXIHKZTANBJFO-MRXNPFEDSA-N 1 0 306.413 3.497 50 0 DGAARO Cc1c(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)cnn1C ZINC000072144000 191051640 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C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1scnc1C(C)(C)C ZINC000106922896 432025243 /nfs/dbraw/zinc/02/52/43/432025243.db2.gz UWKUIZHSLLTDCM-STQMWFEESA-N 1 0 323.506 3.291 50 0 DGAARO Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000225613692 186283501 /nfs/dbraw/zinc/28/35/01/186283501.db2.gz URKBEPNAIQSCJM-GOEBONIOSA-N 1 0 306.837 3.139 50 0 DGAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc2c1OCCO2 ZINC000237489701 186296890 /nfs/dbraw/zinc/29/68/90/186296890.db2.gz IBHXWOMLRPDMID-CQSZACIVSA-N 1 0 313.397 3.274 50 0 DGAARO CS[C@@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000130471817 432026027 /nfs/dbraw/zinc/02/60/27/432026027.db2.gz VRDGZHUUPJBWOI-ZFWWWQNUSA-N 1 0 304.459 3.139 50 0 DGAARO COc1c(C)cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1C ZINC000067186148 432027674 /nfs/dbraw/zinc/02/76/74/432027674.db2.gz AIUXOAWEEWOPDO-QGZVFWFLSA-N 1 0 303.377 3.274 50 0 DGAARO Cc1cc(N2CCC[C@H](CCc3cccc(F)c3)C2)nc(N)[nH+]1 ZINC000072430526 191162911 /nfs/dbraw/zinc/16/29/11/191162911.db2.gz 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CKTWPRINKARZRN-LBPRGKRZSA-N 1 0 307.463 3.037 50 0 DGAARO CCn1ccc2c1cccc2C[NH+]1CCC2(COC(=O)O2)CC1 ZINC000215786313 201471976 /nfs/dbraw/zinc/47/19/76/201471976.db2.gz ZVNOMVMZKACERU-UHFFFAOYSA-N 1 0 314.385 3.163 50 0 DGAARO CCn1c(C[NH2+]C[C@H]2CCCn3cc(C)nc32)nc2ccccc21 ZINC000089305494 283944379 /nfs/dbraw/zinc/94/43/79/283944379.db2.gz ZRPOASNAJMAYAD-OAHLLOKOSA-N 1 0 323.444 3.228 50 0 DGAARO CCc1ccc(C(=O)N(C)CC2CC[NH+](CC(C)C)CC2)[nH]1 ZINC000223309404 201642036 /nfs/dbraw/zinc/64/20/36/201642036.db2.gz QTDXUKYJENUDOK-UHFFFAOYSA-N 1 0 305.466 3.017 50 0 DGAARO CC1(C)CC(NC(=S)NCc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000007351124 181457046 /nfs/dbraw/zinc/45/70/46/181457046.db2.gz PFUZHKJHXAAIKZ-UHFFFAOYSA-N 1 0 323.481 3.099 50 0 DGAARO COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(C)(C)[NH3+])cc1 ZINC000262487405 203307658 /nfs/dbraw/zinc/30/76/58/203307658.db2.gz VBYHFBMCTXKOAO-CYBMUJFWSA-N 1 0 312.413 3.277 50 0 DGAARO Cc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(C)c1 ZINC000093741648 193299019 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C[NH+](C)C1(CNC(=O)COc2cccc(Cl)c2)CCCCC1 ZINC000008830907 181587621 /nfs/dbraw/zinc/58/76/21/181587621.db2.gz XYSICIUJBZSYIK-UHFFFAOYSA-N 1 0 324.852 3.100 50 0 DGAARO Cc1c([C@@H](C)[NH2+]C2CCOCC2)cnn1-c1cccc(F)c1 ZINC000011662923 181697813 /nfs/dbraw/zinc/69/78/13/181697813.db2.gz PQTKDNBZXMSWHM-GFCCVEGCSA-N 1 0 303.381 3.149 50 0 DGAARO Cc1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCC(C)CC2)o1 ZINC000015860297 182022487 /nfs/dbraw/zinc/02/24/87/182022487.db2.gz ZILHMYKPWUKWEL-HNNXBMFYSA-N 1 0 316.401 3.384 50 0 DGAARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3cccs3)C2)c1 ZINC000015962357 182026680 /nfs/dbraw/zinc/02/66/80/182026680.db2.gz NICSZXCBKFPDHL-SFHVURJKSA-N 1 0 313.446 3.317 50 0 DGAARO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2cccs2)cc1 ZINC000016374003 182042576 /nfs/dbraw/zinc/04/25/76/182042576.db2.gz CITATHCOBKLGTL-CQSZACIVSA-N 1 0 316.470 3.447 50 0 DGAARO Cc1cccc(O[C@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000016602606 182051917 /nfs/dbraw/zinc/05/19/17/182051917.db2.gz ICRJPCXKXMIKRC-MRXNPFEDSA-N 1 0 318.461 3.060 50 0 DGAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c1 ZINC000016607515 182053588 /nfs/dbraw/zinc/05/35/88/182053588.db2.gz WPDXUMPCVPBGRS-UHFFFAOYSA-N 1 0 309.413 3.241 50 0 DGAARO CCOc1cc(CN2CC[NH+](C(CC)CC)CC2)ccc1OC ZINC000019361716 182118876 /nfs/dbraw/zinc/11/88/76/182118876.db2.gz HSZUIEJPLGPHDG-UHFFFAOYSA-N 1 0 320.477 3.400 50 0 DGAARO COc1cccc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000019788173 182148580 /nfs/dbraw/zinc/14/85/80/182148580.db2.gz UUVVFTHEEURCEN-WMZOPIPTSA-N 1 0 302.462 3.392 50 0 DGAARO Clc1ccc(-c2ccc(C[NH2+]CCN3CCOCC3)o2)cc1 ZINC000019872308 182158977 /nfs/dbraw/zinc/15/89/77/182158977.db2.gz LPUCZZUPCPDFJW-UHFFFAOYSA-N 1 0 320.820 3.022 50 0 DGAARO Cc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000019894249 182161616 /nfs/dbraw/zinc/16/16/16/182161616.db2.gz GRVHFBDNVGTDDI-UHFFFAOYSA-N 1 0 304.434 3.484 50 0 DGAARO COc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)c(OC)c1 ZINC000019947544 182169271 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182232741 /nfs/dbraw/zinc/23/27/41/182232741.db2.gz MQBLWULSRJWGHR-CYBMUJFWSA-N 1 0 307.825 3.350 50 0 DGAARO CC(C)CC[C@@H](CC[NH2+]CCN(C)C)c1ccc2c(c1)OCO2 ZINC000020533169 182227737 /nfs/dbraw/zinc/22/77/37/182227737.db2.gz AEEKWZABLTYSCB-INIZCTEOSA-N 1 0 320.477 3.476 50 0 DGAARO C[NH+](C)Cn1cc(CCC(=O)N2CCCCC2)c2ccccc21 ZINC000020625196 182240312 /nfs/dbraw/zinc/24/03/12/182240312.db2.gz CIQUJBORRQWLQG-UHFFFAOYSA-N 1 0 313.445 3.106 50 0 DGAARO C[C@H]1CCC[C@]2(C1)NCC[NH+]=C2NCc1ccc(Cl)cc1 ZINC000021883573 182295863 /nfs/dbraw/zinc/29/58/63/182295863.db2.gz GAZBEXRNRSTXFV-SUMWQHHRSA-N 1 0 305.853 3.380 50 0 DGAARO COc1ccc(CC[NH2+][C@@H](C)C(=O)c2ccc(OC)cc2)cc1 ZINC000021981509 182301785 /nfs/dbraw/zinc/30/17/85/182301785.db2.gz HFSPRQVIZBSDKD-AWEZNQCLSA-N 1 0 313.397 3.107 50 0 DGAARO COc1ccccc1[C@@H](CNC(=O)C1CCCC1)[NH+]1CCCC1 ZINC000022679834 182330263 /nfs/dbraw/zinc/33/02/63/182330263.db2.gz CKBKXHYTMZOXLP-QGZVFWFLSA-N 1 0 316.445 3.139 50 0 DGAARO O=C(CCc1c[nH]c2ccccc12)NCCC[NH+]1CCCCC1 ZINC000022695588 182330999 /nfs/dbraw/zinc/33/09/99/182330999.db2.gz NDJDPENIHOEFRV-UHFFFAOYSA-N 1 0 313.445 3.093 50 0 DGAARO Cc1cccc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000023128038 182349071 /nfs/dbraw/zinc/34/90/71/182349071.db2.gz UBXIFWBSNVRRMR-UHFFFAOYSA-N 1 0 312.413 3.230 50 0 DGAARO OCC[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1C1CCCC1 ZINC000023361177 182358203 /nfs/dbraw/zinc/35/82/03/182358203.db2.gz NVIMHEXGZJLAGD-GOSISDBHSA-N 1 0 322.880 3.151 50 0 DGAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1ccccn1 ZINC000023675458 182366174 /nfs/dbraw/zinc/36/61/74/182366174.db2.gz MYVLQGOAUNKBJF-MAUKXSAKSA-N 1 0 322.408 3.325 50 0 DGAARO Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000024566676 182384138 /nfs/dbraw/zinc/38/41/38/182384138.db2.gz QETRIAKDKTYMPA-HNNXBMFYSA-N 1 0 317.458 3.159 50 0 DGAARO C[NH+](C)C[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000024991145 182397427 /nfs/dbraw/zinc/39/74/27/182397427.db2.gz HBBWDFIBTISGQR-MRXNPFEDSA-N 1 0 301.365 3.250 50 0 DGAARO C[NH+]1CCC(NC(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000025598054 182417594 /nfs/dbraw/zinc/41/75/94/182417594.db2.gz MCYVNWHVLNGFCR-UHFFFAOYSA-N 1 0 309.413 3.254 50 0 DGAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCO2 ZINC000032796011 182664695 /nfs/dbraw/zinc/66/46/95/182664695.db2.gz FXWILJZZFVDDFI-UHFFFAOYSA-N 1 0 322.408 3.470 50 0 DGAARO C[NH+](C)CCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000036613617 182828381 /nfs/dbraw/zinc/82/83/81/182828381.db2.gz STSJYDXLMKXSAN-UHFFFAOYSA-N 1 0 310.323 3.194 50 0 DGAARO C[NH+]1CCC(CNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000038573014 183003201 /nfs/dbraw/zinc/00/32/01/183003201.db2.gz HOZGSZSSGCQFCT-UHFFFAOYSA-N 1 0 315.339 3.169 50 0 DGAARO Clc1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000038580894 183003565 /nfs/dbraw/zinc/00/35/65/183003565.db2.gz URPAQBWFFLNKOE-VIFPVBQESA-N 1 0 304.615 3.481 50 0 DGAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049834 183029907 /nfs/dbraw/zinc/02/99/07/183029907.db2.gz 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/nfs/dbraw/zinc/22/18/95/183221895.db2.gz KFVUDBNWWVZHAL-UHFFFAOYSA-N 1 0 312.816 3.331 50 0 DGAARO COc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)cc1F ZINC000042796646 183309906 /nfs/dbraw/zinc/30/99/06/183309906.db2.gz NOFMNCSGFNZMGD-LBPRGKRZSA-N 1 0 317.360 3.456 50 0 DGAARO Fc1ccccc1CN1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000043144686 183340545 /nfs/dbraw/zinc/34/05/45/183340545.db2.gz APGXWFSXXGWAMJ-INIZCTEOSA-N 1 0 308.466 3.275 50 0 DGAARO C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCCOC1 ZINC000104352631 194001275 /nfs/dbraw/zinc/00/12/75/194001275.db2.gz HBBQDRGBMXQQBR-SNVBAGLBSA-N 1 0 304.253 3.369 50 0 DGAARO CC[NH+](CC)C[C@H]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000076089549 284734920 /nfs/dbraw/zinc/73/49/20/284734920.db2.gz LSAZOGMFNKMHGF-UONOGXRCSA-N 1 0 308.470 3.092 50 0 DGAARO C[C@H](CNC(=S)NCc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000105675674 194118961 /nfs/dbraw/zinc/11/89/61/194118961.db2.gz SNMRRVUCTSMAKW-UONOGXRCSA-N 1 0 323.481 3.053 50 0 DGAARO CCN(C(=O)c1ccncc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630827 194238827 /nfs/dbraw/zinc/23/88/27/194238827.db2.gz KOEHSYLEWCJSAR-VQIMIIECSA-N 1 0 323.440 3.379 50 0 DGAARO CCOc1ccccc1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000049076341 183710737 /nfs/dbraw/zinc/71/07/37/183710737.db2.gz ODQFXDSTKHPHNX-UHFFFAOYSA-N 1 0 318.461 3.279 50 0 DGAARO COC[C@H](C)C1CCN(C(=O)CC[NH+]2CCCCCCC2)CC1 ZINC000055254618 183974200 /nfs/dbraw/zinc/97/42/00/183974200.db2.gz KFHIYMMGWLPLLB-KRWDZBQOSA-N 1 0 324.509 3.164 50 0 DGAARO CC[NH+]1CCC(CNC(=O)C2(c3ccc(F)cc3)CCC2)CC1 ZINC000057001139 184024153 /nfs/dbraw/zinc/02/41/53/184024153.db2.gz GVNWCVYQQDGJJP-UHFFFAOYSA-N 1 0 318.436 3.096 50 0 DGAARO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1ccc(F)cc1 ZINC000057383652 184037104 /nfs/dbraw/zinc/03/71/04/184037104.db2.gz OWAFKTDKZALUID-KGLIPLIRSA-N 1 0 312.388 3.454 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000058232222 184092323 /nfs/dbraw/zinc/09/23/23/184092323.db2.gz 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/nfs/dbraw/zinc/15/76/45/184157645.db2.gz BWMZPIJSEVBXGH-SFHVURJKSA-N 1 0 308.425 3.125 50 0 DGAARO CC(C)OCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000061078920 184161232 /nfs/dbraw/zinc/16/12/32/184161232.db2.gz OVCLOXOVSWIPEO-UHFFFAOYSA-N 1 0 311.372 3.285 50 0 DGAARO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114785 184206650 /nfs/dbraw/zinc/20/66/50/184206650.db2.gz YIEPBEJGEPRJJV-UWVGGRQHSA-N 1 0 301.217 3.122 50 0 DGAARO Cc1noc(C2CC[NH+](CCCOc3ccccc3)CC2)n1 ZINC000064940150 184306586 /nfs/dbraw/zinc/30/65/86/184306586.db2.gz WFOUKAOAZJCUKX-UHFFFAOYSA-N 1 0 301.390 3.027 50 0 DGAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590787 184301023 /nfs/dbraw/zinc/30/10/23/184301023.db2.gz KQUTULSCAWESMI-UHFFFAOYSA-N 1 0 321.424 3.415 50 0 DGAARO Cc1cccn2c(C[NH2+][C@@H](C)CCc3ccc(O)cc3)cnc12 ZINC000065393444 184333800 /nfs/dbraw/zinc/33/38/00/184333800.db2.gz SBBSSNYUTQSZNV-HNNXBMFYSA-N 1 0 309.413 3.459 50 0 DGAARO C[N@H+](CCc1ccccn1)Cc1cc(-c2cccc(F)c2)n[nH]1 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COc1c(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c(C)nn1C ZINC000065478833 184352565 /nfs/dbraw/zinc/35/25/65/184352565.db2.gz BDZVCDDWFDXSDG-HNNXBMFYSA-N 1 0 305.809 3.168 50 0 DGAARO Cn1cc(C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)c2ccccc21 ZINC000065526125 184359757 /nfs/dbraw/zinc/35/97/57/184359757.db2.gz TWMXFDDWOGFOCU-INIZCTEOSA-N 1 0 308.429 3.287 50 0 DGAARO Cc1ccc(NC(=O)C[NH2+][C@@H](C)Cc2ccsc2)cc1F ZINC000065533456 184361576 /nfs/dbraw/zinc/36/15/76/184361576.db2.gz BLDMVRGUZRIRGI-LBPRGKRZSA-N 1 0 306.406 3.355 50 0 DGAARO CCCc1cc(-c2nc(C3CC3)nn2-c2cc[nH+]cc2C)n(C)n1 ZINC000065505434 184357006 /nfs/dbraw/zinc/35/70/06/184357006.db2.gz ZFDMVORNLOVUGA-UHFFFAOYSA-N 1 0 322.416 3.201 50 0 DGAARO Fc1ccc2cc(C[NH2+][C@H]3CCO[C@@H]3c3cccnc3)[nH]c2c1 ZINC000343386565 254135607 /nfs/dbraw/zinc/13/56/07/254135607.db2.gz GORLBARLDUIYIN-FUHWJXTLSA-N 1 0 311.360 3.322 50 0 DGAARO OC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000108373354 285275241 /nfs/dbraw/zinc/27/52/41/285275241.db2.gz ZXMOQZQELRBDMB-COLVAYQJSA-N 1 0 310.235 3.187 50 0 DGAARO Cc1cc(N2CCC[C@]3(C=Cc4ccccc4O3)CC2)nc(N)[nH+]1 ZINC000095379278 291936315 /nfs/dbraw/zinc/93/63/15/291936315.db2.gz PWNFDEAVYUCHND-IBGZPJMESA-N 1 0 322.412 3.202 50 0 DGAARO Cc1c2ccccc2oc1[C@@H]([NH2+]CCN1CCNC1=O)C(C)C ZINC000289640476 221121101 /nfs/dbraw/zinc/12/11/01/221121101.db2.gz BYXFJICNRPYBIX-INIZCTEOSA-N 1 0 315.417 3.053 50 0 DGAARO C[C@H](O)C[NH2+][C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000289876907 221287072 /nfs/dbraw/zinc/28/70/72/221287072.db2.gz MDGDDIQJCUBSAV-GOEBONIOSA-N 1 0 322.449 3.003 50 0 DGAARO CC(=O)c1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1 ZINC000008120566 257230405 /nfs/dbraw/zinc/23/04/05/257230405.db2.gz PQMZSYBIUDZDCT-UHFFFAOYSA-N 1 0 314.360 3.099 50 0 DGAARO CCOCC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216499448 257273183 /nfs/dbraw/zinc/27/31/83/257273183.db2.gz AHMWJBYMKLPELU-LJQANCHMSA-N 1 0 322.468 3.395 50 0 DGAARO CN(Cc1ccc2cccc(Cl)c2n1)C[C@@H]1CCC[N@@H+]1C ZINC000216486868 257273724 /nfs/dbraw/zinc/27/37/24/257273724.db2.gz PSLFRRNVAPTPOB-HNNXBMFYSA-N 1 0 303.837 3.414 50 0 DGAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000237620170 257238280 /nfs/dbraw/zinc/23/82/80/257238280.db2.gz XOQMAPWIDTVGLF-MAUKXSAKSA-N 1 0 324.424 3.217 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1cccc(Cl)c1Cl ZINC000237472451 257239606 /nfs/dbraw/zinc/23/96/06/257239606.db2.gz WDTNZYDVJVCJCW-PWSUYJOCSA-N 1 0 315.244 3.264 50 0 DGAARO CC[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369584404 257242119 /nfs/dbraw/zinc/24/21/19/257242119.db2.gz YECABHAAVDNWNL-IRXDYDNUSA-N 1 0 301.434 3.017 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000095422822 257253286 /nfs/dbraw/zinc/25/32/86/257253286.db2.gz NVMCDAQICBYVJN-VHSXEESVSA-N 1 0 301.217 3.265 50 0 DGAARO COc1ccc2sc(C(=O)N(C)C3CC[NH2+]CC3)c(C)c2c1 ZINC000125418192 195747852 /nfs/dbraw/zinc/74/78/52/195747852.db2.gz MCFJCCLPDVRQKH-UHFFFAOYSA-N 1 0 318.442 3.042 50 0 DGAARO c1ccc(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)cc1 ZINC000065381137 285474366 /nfs/dbraw/zinc/47/43/66/285474366.db2.gz INAYAJTWJWTUTD-UHFFFAOYSA-N 1 0 310.445 3.384 50 0 DGAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048680984 285501515 /nfs/dbraw/zinc/50/15/15/285501515.db2.gz ZDJMXCXAQOMDFI-SFHVURJKSA-N 1 0 308.429 3.244 50 0 DGAARO O[C@]12CCCC[C@H]1[C@@H](c1cccc(Br)c1)[NH2+]CC2 ZINC000006471269 400092468 /nfs/dbraw/zinc/09/24/68/400092468.db2.gz MBLRVINXDJTALG-ZNMIVQPWSA-N 1 0 310.235 3.405 50 0 DGAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092071627 400151052 /nfs/dbraw/zinc/15/10/52/400151052.db2.gz SJURZQBLETTZGX-MRXNPFEDSA-N 1 0 321.428 3.283 50 0 DGAARO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000096027113 400274430 /nfs/dbraw/zinc/27/44/30/400274430.db2.gz JKTYSVSOUOJAQP-APWZRJJASA-N 1 0 308.425 3.356 50 0 DGAARO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000097103489 400283620 /nfs/dbraw/zinc/28/36/20/400283620.db2.gz BYQKRHHPTIUBMB-CABCVRRESA-N 1 0 319.449 3.316 50 0 DGAARO CC1(C)C[C@H]([NH2+]Cc2csc([C@@H]3CCCO3)n2)C(C)(C)O1 ZINC000097103338 400283675 /nfs/dbraw/zinc/28/36/75/400283675.db2.gz WTRHASNVJYVSTF-STQMWFEESA-N 1 0 310.463 3.430 50 0 DGAARO Cn1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(C2CCCCC2)n1 ZINC000097372985 400285619 /nfs/dbraw/zinc/28/56/19/400285619.db2.gz AYFCGIGHZRDEOS-GOSISDBHSA-N 1 0 303.450 3.080 50 0 DGAARO CCOC(=O)[C@]1(c2ccccc2)C[C@H](CC)C=C[C@@H]1[NH+](C)C ZINC000102197694 400295539 /nfs/dbraw/zinc/29/55/39/400295539.db2.gz WZJMDVVXTPWBRB-AYBZRNKSSA-N 1 0 301.430 3.404 50 0 DGAARO c1csc(CC[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000072299901 400380084 /nfs/dbraw/zinc/38/00/84/400380084.db2.gz OKJWHHOFXJNWKF-ZDUSSCGKSA-N 1 0 303.431 3.431 50 0 DGAARO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(n2cccc2)CC1 ZINC000071904292 400371741 /nfs/dbraw/zinc/37/17/41/400371741.db2.gz JYUBWVWWEDUCBF-AWEZNQCLSA-N 1 0 323.400 3.331 50 0 DGAARO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875490 400371753 /nfs/dbraw/zinc/37/17/53/400371753.db2.gz GTMMFPIUXVGZPY-GDBMZVCRSA-N 1 0 323.400 3.159 50 0 DGAARO COc1c([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2)c(C)nn1C ZINC000072267610 400375670 /nfs/dbraw/zinc/37/56/70/400375670.db2.gz AXSRHCBKRFZGEI-MRXNPFEDSA-N 1 0 315.417 3.083 50 0 DGAARO COc1cccc([C@H](O)C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000072286216 400377992 /nfs/dbraw/zinc/37/79/92/400377992.db2.gz UYADEKAIWXWVCW-LJQANCHMSA-N 1 0 319.445 3.152 50 0 DGAARO CC(C)(C)[S@@](=O)CC[NH2+]Cc1ccccc1Br ZINC000072286940 400378297 /nfs/dbraw/zinc/37/82/97/400378297.db2.gz FPKQPYYTAJDYJY-QGZVFWFLSA-N 1 0 318.280 3.086 50 0 DGAARO Clc1cccc(OCCOCC[NH+]2CCCC2)c1Cl ZINC000039425357 400397942 /nfs/dbraw/zinc/39/79/42/400397942.db2.gz AGANMJWOUGWFLN-UHFFFAOYSA-N 1 0 304.217 3.485 50 0 DGAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000120495918 400446122 /nfs/dbraw/zinc/44/61/22/400446122.db2.gz DYGTYTKRLGBZRN-GUYCJALGSA-N 1 0 322.474 3.288 50 0 DGAARO Cn1c(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)nnc1C1CCC1 ZINC000124141984 400474800 /nfs/dbraw/zinc/47/48/00/400474800.db2.gz JTEMFVSIYOGCOL-NEPJUHHUSA-N 1 0 316.371 3.293 50 0 DGAARO Cc1coc2c1c1oc(=O)cc(C)c1cc2OCC[NH+](C)C ZINC000075283140 400569986 /nfs/dbraw/zinc/56/99/86/400569986.db2.gz CISRKNNNZHXEMI-UHFFFAOYSA-N 1 0 301.342 3.096 50 0 DGAARO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccncc2)s1 ZINC000075415418 400584548 /nfs/dbraw/zinc/58/45/48/400584548.db2.gz OOZGNFQGIWCPNO-UHFFFAOYSA-N 1 0 318.446 3.047 50 0 DGAARO CCCCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000075572568 400596098 /nfs/dbraw/zinc/59/60/98/400596098.db2.gz ZNUUXGNDFMTXFI-UHFFFAOYSA-N 1 0 307.438 3.076 50 0 DGAARO COc1cccc(F)c1[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000156054698 400707292 /nfs/dbraw/zinc/70/72/92/400707292.db2.gz GMNFOEDVEIYUHV-LBPRGKRZSA-N 1 0 309.381 3.171 50 0 DGAARO O[C@H](CN1CCC[N@@H+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000172585950 400834096 /nfs/dbraw/zinc/83/40/96/400834096.db2.gz MLYVFXNWVKFIKV-GOSISDBHSA-N 1 0 322.880 3.324 50 0 DGAARO C[C@@H]1CC[N@H+](CCSc2nnc(Cc3cccs3)o2)C1 ZINC000079058376 400842880 /nfs/dbraw/zinc/84/28/80/400842880.db2.gz ZQWSWDSGZCUIPY-LLVKDONJSA-N 1 0 309.460 3.156 50 0 DGAARO S=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCCCC1 ZINC000006334002 296596586 /nfs/dbraw/zinc/59/65/86/296596586.db2.gz OQZMIMDWFPVLNY-OAHLLOKOSA-N 1 0 321.490 3.213 50 0 DGAARO Cc1cc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)c(C)o1 ZINC000183808044 400902347 /nfs/dbraw/zinc/90/23/47/400902347.db2.gz ULELMASOQHJNJL-RYUDHWBXSA-N 1 0 306.431 3.486 50 0 DGAARO O=C(Nc1cccs1)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000606440541 400912968 /nfs/dbraw/zinc/91/29/68/400912968.db2.gz ACVQQCRHQJYZLZ-LBPRGKRZSA-N 1 0 307.444 3.206 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(OCC(F)F)c1)c1cccc(O)c1 ZINC000194942407 400922440 /nfs/dbraw/zinc/92/24/40/400922440.db2.gz WPWUMDURRYZGAM-LLVKDONJSA-N 1 0 308.328 3.282 50 0 DGAARO O[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccncc1 ZINC000195560795 400925132 /nfs/dbraw/zinc/92/51/32/400925132.db2.gz AUNIRMAGBREALY-RBUKOAKNSA-N 1 0 323.371 3.028 50 0 DGAARO CNC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000195553840 400925862 /nfs/dbraw/zinc/92/58/62/400925862.db2.gz DXCXTBREVZEQFX-LMMKCTJWSA-N 1 0 323.440 3.065 50 0 DGAARO C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000195556819 400925944 /nfs/dbraw/zinc/92/59/44/400925944.db2.gz ZJRLWPBKBXIZCK-WBVHZDCISA-N 1 0 324.424 3.033 50 0 DGAARO C[C@@H]1CC[C@H](C[NH+]2CCC(OCc3ccccc3F)CC2)O1 ZINC000225598105 400959105 /nfs/dbraw/zinc/95/91/05/400959105.db2.gz HUUUNAYJZGXZED-RHSMWYFYSA-N 1 0 307.409 3.374 50 0 DGAARO Cn1cc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)cn1 ZINC000227586711 400963910 /nfs/dbraw/zinc/96/39/10/400963910.db2.gz LEBOZJNJYUBLQP-UHFFFAOYSA-N 1 0 316.405 3.057 50 0 DGAARO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1 ZINC000629729859 401060666 /nfs/dbraw/zinc/06/06/66/401060666.db2.gz HPUSQUDNKLQHPQ-LKFCYVNXSA-N 1 0 311.307 3.145 50 0 DGAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058581576 401061598 /nfs/dbraw/zinc/06/15/98/401061598.db2.gz UTTNBJQVAXNPCC-ZBFHGGJFSA-N 1 0 307.415 3.056 50 0 DGAARO Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)s1 ZINC000248141316 401066842 /nfs/dbraw/zinc/06/68/42/401066842.db2.gz QINNJGQWWHKCJP-UGUYLWEFSA-N 1 0 318.486 3.245 50 0 DGAARO C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000084284543 401134958 /nfs/dbraw/zinc/13/49/58/401134958.db2.gz QDLXGICEXWUQNH-HNNXBMFYSA-N 1 0 313.445 3.289 50 0 DGAARO C[C@@H]1C[C@@H](CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC000252142004 401093586 /nfs/dbraw/zinc/09/35/86/401093586.db2.gz NIUIYONNBJSBMH-PVAVHDDUSA-N 1 0 306.494 3.439 50 0 DGAARO CNC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000252584937 401095952 /nfs/dbraw/zinc/09/59/52/401095952.db2.gz DXCXTBREVZEQFX-ZHALLVOQSA-N 1 0 323.440 3.065 50 0 DGAARO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000253369351 401098563 /nfs/dbraw/zinc/09/85/63/401098563.db2.gz BKHNRUYZQFZMMY-KBXCAEBGSA-N 1 0 321.428 3.280 50 0 DGAARO Cc1nc(CN(Cc2ccc(F)cc2)[C@@H]2CC[N@@H+](C)C2)oc1C ZINC000089558279 401227165 /nfs/dbraw/zinc/22/71/65/401227165.db2.gz BUALLUHICDEBBN-QGZVFWFLSA-N 1 0 317.408 3.137 50 0 DGAARO c1ccc2c(c1)cccc2OCCN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000064570681 401243894 /nfs/dbraw/zinc/24/38/94/401243894.db2.gz ZBJILUDGDOUFEK-SFHVURJKSA-N 1 0 310.441 3.389 50 0 DGAARO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)C2)nc(C)n1 ZINC000623406619 401508984 /nfs/dbraw/zinc/50/89/84/401508984.db2.gz DVBFJYNZYCNQLV-ZSGPHXLJSA-N 1 0 314.477 3.086 50 0 DGAARO COc1c(C[NH2+][C@H]2C[C@H]2c2ccc(F)cc2)c(C(C)C)nn1C ZINC000058421528 286184152 /nfs/dbraw/zinc/18/41/52/286184152.db2.gz LEEBKBCHHBKOQZ-HOCLYGCPSA-N 1 0 317.408 3.337 50 0 DGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1 ZINC000000052258 292355109 /nfs/dbraw/zinc/35/51/09/292355109.db2.gz OVDAQVIEYIDYQE-HKUYNNGSSA-N 1 0 306.409 3.443 50 0 biogenic DGAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H](C)c1ccccn1 ZINC000106853083 287008491 /nfs/dbraw/zinc/00/84/91/287008491.db2.gz GMUXCGUQLIDVPV-HZPDHXFCSA-N 1 0 318.465 3.049 50 0 DGAARO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC(N)=O)CC1 ZINC000069518649 287132785 /nfs/dbraw/zinc/13/27/85/287132785.db2.gz SUXAXPVCYOOIRO-NSHDSACASA-N 1 0 314.351 3.354 50 0 DGAARO CCC(CC)(C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261784819 165748941 /nfs/dbraw/zinc/74/89/41/165748941.db2.gz GGEVMFHXUCPNCS-INIZCTEOSA-N 1 0 302.462 3.330 50 0 DGAARO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129183483 196026657 /nfs/dbraw/zinc/02/66/57/196026657.db2.gz UKISDBUWRWBVRU-ZIAGYGMSSA-N 1 0 320.399 3.490 50 0 DGAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000182592604 432208509 /nfs/dbraw/zinc/20/85/09/432208509.db2.gz JUEGWVZONLHLFS-WBVHZDCISA-N 1 0 316.445 3.466 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C1 ZINC000299740023 229375727 /nfs/dbraw/zinc/37/57/27/229375727.db2.gz USRQYFKZXPHBRG-MYZSUADSSA-N 1 0 306.837 3.029 50 0 DGAARO CC(C)(C)OC(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC000040448616 273499961 /nfs/dbraw/zinc/49/99/61/273499961.db2.gz PYRPHEQXDLNURT-UHFFFAOYSA-N 1 0 302.418 3.059 50 0 DGAARO COc1cc2c(cc1Cl)-n1cccc1C1(CC[NH2+]CC1)N2 ZINC000063110913 274101501 /nfs/dbraw/zinc/10/15/01/274101501.db2.gz MBMJKRNPUOXFBG-UHFFFAOYSA-N 1 0 303.793 3.144 50 0 DGAARO Cc1n[nH]cc1CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000095420044 274657469 /nfs/dbraw/zinc/65/74/69/274657469.db2.gz OFYVPSSSPRYMMN-KRWDZBQOSA-N 1 0 301.459 3.271 50 0 DGAARO Cc1ccccc1C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000039931183 274806640 /nfs/dbraw/zinc/80/66/40/274806640.db2.gz WFSIGTSTVDHBQZ-UHFFFAOYSA-N 1 0 322.408 3.110 50 0 DGAARO O=C(/C=C/c1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000006432363 274967716 /nfs/dbraw/zinc/96/77/16/274967716.db2.gz CAJPZRINKDFCST-DVQDXYAYSA-N 1 0 310.397 3.246 50 0 DGAARO CC(C)(C)C1CCC(C[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000097106906 275811236 /nfs/dbraw/zinc/81/12/36/275811236.db2.gz TTZYIBHJAZJJOI-UHFFFAOYSA-N 1 0 315.523 3.253 50 0 DGAARO CCC[C@H](C)[NH+]1CCC2(CC1)Nc1ccccc1N(CC)C2=O ZINC000063884101 276040129 /nfs/dbraw/zinc/04/01/29/276040129.db2.gz SNRIHRUUKPSUQC-HNNXBMFYSA-N 1 0 315.461 3.488 50 0 DGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C)o2)N3)C1 ZINC000006205604 276236800 /nfs/dbraw/zinc/23/68/00/276236800.db2.gz MWBHUYSLNLRFEA-AWEZNQCLSA-N 1 0 317.414 3.456 50 0 DGAARO C1COC2(CCC([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)O1 ZINC000156768808 276852076 /nfs/dbraw/zinc/85/20/76/276852076.db2.gz DDPDKPMHBLEPTQ-MRXNPFEDSA-N 1 0 309.450 3.144 50 0 DGAARO COc1c(C[NH2+][C@H]2CCc3cc(F)ccc32)c(C(C)C)nn1C ZINC000065474754 277788681 /nfs/dbraw/zinc/78/86/81/277788681.db2.gz PANKVWGJRXDPEI-INIZCTEOSA-N 1 0 317.408 3.468 50 0 DGAARO COc1ccccc1NC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000056517456 278057942 /nfs/dbraw/zinc/05/79/42/278057942.db2.gz LRKHIOSVJRAHJW-SOUVJXGZSA-N 1 0 319.449 3.183 50 0 DGAARO C[C@@H](CSC(C)(C)C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000095419798 278293780 /nfs/dbraw/zinc/29/37/80/278293780.db2.gz FHPHUXSNKQHLSJ-ZDUSSCGKSA-N 1 0 310.511 3.057 50 0 DGAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccs1)[C@H](C)n1cccn1 ZINC000069368647 278356861 /nfs/dbraw/zinc/35/68/61/278356861.db2.gz ZVSWDFXKYJTFKU-NEPJUHHUSA-N 1 0 301.419 3.074 50 0 DGAARO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000057862096 278390899 /nfs/dbraw/zinc/39/08/99/278390899.db2.gz DDHMTADZXYTAQE-PMPSAXMXSA-N 1 0 324.465 3.029 50 0 DGAARO OC(c1cccs1)(c1cccs1)[C@@H]1C[NH+]2CCC1CC2 ZINC000000038074 431113154 /nfs/dbraw/zinc/11/31/54/431113154.db2.gz CTYCSOSPTSAGHP-CYBMUJFWSA-N 1 0 305.468 3.387 50 0 in-vitro DGAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)CC)CC1 ZINC000000299618 431162727 /nfs/dbraw/zinc/16/27/27/431162727.db2.gz OUSDROFTWHVKMI-OAHLLOKOSA-N 1 0 318.461 3.212 50 0 DGAARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000000317545 431165239 /nfs/dbraw/zinc/16/52/39/431165239.db2.gz XNPVBXLEWRYESJ-HNNXBMFYSA-N 1 0 318.436 3.296 50 0 DGAARO C[C@@]12C[NH2+]C[C@@](C)(CN(Cc3cccc(Br)c3)C1)C2 ZINC000000346464 431167828 /nfs/dbraw/zinc/16/78/28/431167828.db2.gz QPIQUDOMAVCFPU-IYBDPMFKSA-N 1 0 323.278 3.271 50 0 DGAARO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000000355347 431169831 /nfs/dbraw/zinc/16/98/31/431169831.db2.gz ZTLWEPKRCSWSMF-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 biogenic DGAARO COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3CCO)o2)cc1 ZINC000069249955 431170519 /nfs/dbraw/zinc/17/05/19/431170519.db2.gz DRVPLJVMCCWDIS-OAHLLOKOSA-N 1 0 316.401 3.087 50 0 DGAARO O=C(CC[N@H+]1CC=C(c2ccccc2)CC1)NCc1ccccc1 ZINC000000410092 431178704 /nfs/dbraw/zinc/17/87/04/431178704.db2.gz LBWOTVQUFHARSN-UHFFFAOYSA-N 1 0 320.436 3.482 50 0 DGAARO C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@@H](C)n1cccn1 ZINC000069372306 431180171 /nfs/dbraw/zinc/18/01/71/431180171.db2.gz ONYYUFADYAAHSA-VXGBXAGGSA-N 1 0 302.403 3.339 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(-c2ccccc2)n1)[C@H](C)n1cccn1 ZINC000069372208 431180650 /nfs/dbraw/zinc/18/06/50/431180650.db2.gz RSDBWRFKXXCWMT-GJZGRUSLSA-N 1 0 307.401 3.079 50 0 DGAARO Cc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2ccccc2)C1 ZINC000000425746 431180744 /nfs/dbraw/zinc/18/07/44/431180744.db2.gz ZYPWJDVVFWQJBI-HXUWFJFHSA-N 1 0 307.417 3.255 50 0 DGAARO CC[NH+](CC)CCOc1cc2c(nn1)Oc1ccccc1N2C ZINC000000501757 431193180 /nfs/dbraw/zinc/19/31/80/431193180.db2.gz SQQOKMXKQMFOGJ-UHFFFAOYSA-N 1 0 314.389 3.071 50 0 DGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000069512735 431193666 /nfs/dbraw/zinc/19/36/66/431193666.db2.gz BAKLJXSKFJDHHC-HZPDHXFCSA-N 1 0 309.417 3.117 50 0 DGAARO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000069532764 431195983 /nfs/dbraw/zinc/19/59/83/431195983.db2.gz SULYRLALXQVPIF-UHFFFAOYSA-N 1 0 313.376 3.071 50 0 DGAARO C(c1noc(C2CC2)n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069564342 431199101 /nfs/dbraw/zinc/19/91/01/431199101.db2.gz AVLXMGXADUXDJO-HNNXBMFYSA-N 1 0 318.465 3.035 50 0 DGAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC ZINC000000211971 431147863 /nfs/dbraw/zinc/14/78/63/431147863.db2.gz ROOBULYVOVIYRW-GOSISDBHSA-N 1 0 308.381 3.420 50 0 biogenic DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000000239784 431150892 /nfs/dbraw/zinc/15/08/92/431150892.db2.gz UPMSIIUPFDIZBD-OAHLLOKOSA-N 1 0 308.853 3.420 50 0 DGAARO CN1CCC([N@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000000237881 431151409 /nfs/dbraw/zinc/15/14/09/431151409.db2.gz LZTRIISSVOHXCA-UHFFFAOYSA-N 1 0 315.230 3.114 50 0 DGAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000252366 431152736 /nfs/dbraw/zinc/15/27/36/431152736.db2.gz ZOLBVZZPJKANQA-FQEVSTJZSA-N 1 0 322.452 3.038 50 0 DGAARO Cc1cc(NC(=O)CC[NH+]2CCCC2)ccc1Br ZINC000000257503 431156977 /nfs/dbraw/zinc/15/69/77/431156977.db2.gz SHAOKYOKELFDTD-UHFFFAOYSA-N 1 0 311.223 3.182 50 0 DGAARO O=C(CCc1ccc2ccccc2c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069588033 431202133 /nfs/dbraw/zinc/20/21/33/431202133.db2.gz MBVSRABGJKEGDN-QGZVFWFLSA-N 1 0 322.452 3.373 50 0 DGAARO COc1ccc([C@H]2CCC[N@@H+]2CC2CCOCC2)c(OC)c1 ZINC000069664029 431209081 /nfs/dbraw/zinc/20/90/81/431209081.db2.gz FPHDLHSIMLMWBN-QGZVFWFLSA-N 1 0 305.418 3.267 50 0 DGAARO O=C(NC1CC[NH+](C2CC2)CC1)N(CC1CC1)C1CCCCC1 ZINC000069762509 431219292 /nfs/dbraw/zinc/21/92/92/431219292.db2.gz ZURIHPUWVFUSMZ-UHFFFAOYSA-N 1 0 319.493 3.368 50 0 DGAARO CCS[C@H]1CCCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000069776169 431220147 /nfs/dbraw/zinc/22/01/47/431220147.db2.gz MPBUTDMWCMDQJT-LBPRGKRZSA-N 1 0 307.419 3.437 50 0 DGAARO Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069779861 431223150 /nfs/dbraw/zinc/22/31/50/431223150.db2.gz CRNHLMLIHYGZNR-KGLIPLIRSA-N 1 0 321.490 3.274 50 0 DGAARO CC(C)Cc1ccc([C@@H](O)CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000069879797 431230148 /nfs/dbraw/zinc/23/01/48/431230148.db2.gz VDCIOSOCVROUDO-UXHICEINSA-N 1 0 316.489 3.089 50 0 DGAARO Fc1ccc2nc(C(F)(F)F)cc(N3CCC[NH2+]CC3)c2c1 ZINC000002243381 431247999 /nfs/dbraw/zinc/24/79/99/431247999.db2.gz BQPCTRPHCUDOHE-UHFFFAOYSA-N 1 0 313.298 3.192 50 0 DGAARO CC[NH+](CC)CCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002254138 431248449 /nfs/dbraw/zinc/24/84/49/431248449.db2.gz KHRORTNIRVKDFG-UHFFFAOYSA-N 1 0 324.424 3.382 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]CCc2ccccc2)c2ccccc12 ZINC000002494734 431253727 /nfs/dbraw/zinc/25/37/27/431253727.db2.gz UYEBZMBMRMWPHP-IBGZPJMESA-N 1 0 322.452 3.451 50 0 DGAARO CCCC[NH2+]CCOCCOc1ccc(Br)cc1 ZINC000002981080 431277943 /nfs/dbraw/zinc/27/79/43/431277943.db2.gz MWEVGHCFGXJSPV-UHFFFAOYSA-N 1 0 316.239 3.234 50 0 DGAARO CC(C)[C@H]1CN(Cc2ccc(O)cc2)CCC[N@@H+]1CC1CC1 ZINC000071497902 431284079 /nfs/dbraw/zinc/28/40/79/431284079.db2.gz HIOQGSURXQLKGY-LJQANCHMSA-N 1 0 302.462 3.335 50 0 DGAARO COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)CN1CC2 ZINC000003875392 431293889 /nfs/dbraw/zinc/29/38/89/431293889.db2.gz MKJIEFSOBYUXJB-ZBFHGGJFSA-N 1 0 317.429 3.238 50 0 fda DGAARO CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000004632164 431300383 /nfs/dbraw/zinc/30/03/83/431300383.db2.gz MGVLFSSPZRTLGU-QGZVFWFLSA-N 1 0 318.380 3.071 50 0 DGAARO Cc1cnn(CC[NH2+]Cc2ccccc2Oc2cccnc2)c1 ZINC000071872140 431305255 /nfs/dbraw/zinc/30/52/55/431305255.db2.gz VIAHNGANNWUTEJ-UHFFFAOYSA-N 1 0 308.385 3.169 50 0 DGAARO Cc1nnc2n1C[C@@H](C[NH2+]Cc1csc3ccccc13)CC2 ZINC000071871882 431305577 /nfs/dbraw/zinc/30/55/77/431305577.db2.gz CHMOGWTXFFRKHB-CYBMUJFWSA-N 1 0 312.442 3.153 50 0 DGAARO Cc1c2cccc(F)c2oc1C(=O)NCC[NH+]1CCCCCC1 ZINC000071884620 431308900 /nfs/dbraw/zinc/30/89/00/431308900.db2.gz OJVREXLAXKBZIN-UHFFFAOYSA-N 1 0 318.392 3.486 50 0 DGAARO O=c1cc(N2CCC([NH+]3CCCCC3)CC2)c2ccccc2o1 ZINC000006243816 431314900 /nfs/dbraw/zinc/31/49/00/431314900.db2.gz QXYDFGHUGIAFRG-UHFFFAOYSA-N 1 0 312.413 3.248 50 0 DGAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000002739090 431267478 /nfs/dbraw/zinc/26/74/78/431267478.db2.gz WIDPJSGOPUSLCS-UHFFFAOYSA-N 1 0 319.376 3.184 50 0 DGAARO CCC[N@H+](Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000071006229 431269190 /nfs/dbraw/zinc/26/91/90/431269190.db2.gz HEUQRCWZQXJNEY-KRWDZBQOSA-N 1 0 317.454 3.239 50 0 DGAARO CCCC[C@H](CC)C[NH2+]C[C@H](O)COCc1ccc(OC)cc1 ZINC000006939325 431324995 /nfs/dbraw/zinc/32/49/95/431324995.db2.gz ALVXVTRQYGBRMM-WMZOPIPTSA-N 1 0 323.477 3.379 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccccc1Cl ZINC000006992748 431328197 /nfs/dbraw/zinc/32/81/97/431328197.db2.gz MJGQHXQPGBKZAM-UHFFFAOYSA-N 1 0 316.832 3.261 50 0 DGAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000072167276 431330648 /nfs/dbraw/zinc/33/06/48/431330648.db2.gz DIOMLRSXTSXCFY-FQEVSTJZSA-N 1 0 322.456 3.278 50 0 DGAARO CCCCN1C(=O)CC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]21 ZINC000072447571 431335136 /nfs/dbraw/zinc/33/51/36/431335136.db2.gz JXDZFAJFFQUNNR-QWHCGFSZSA-N 1 0 306.372 3.052 50 0 DGAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)-c1ccccc1C2 ZINC000008922648 431418206 /nfs/dbraw/zinc/41/82/06/431418206.db2.gz LNAUVGGMYLZTPC-UHFFFAOYSA-N 1 0 306.409 3.083 50 0 DGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)c2ccccc12 ZINC000008169809 431383560 /nfs/dbraw/zinc/38/35/60/431383560.db2.gz KOVWJOIGWQSTFB-HNNXBMFYSA-N 1 0 313.445 3.173 50 0 DGAARO Cc1ccc2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)cc(=O)n2c1 ZINC000008266467 431389698 /nfs/dbraw/zinc/38/96/98/431389698.db2.gz ZDBMWOCLZKODTH-JKSUJKDBSA-N 1 0 311.429 3.015 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000008406327 431395812 /nfs/dbraw/zinc/39/58/12/431395812.db2.gz VUWBKNWJBCLCOS-UHFFFAOYSA-N 1 0 300.446 3.479 50 0 DGAARO Cc1cccc(C)c1OCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000008673927 431406146 /nfs/dbraw/zinc/40/61/46/431406146.db2.gz LTDMZDIZSSLNQF-UHFFFAOYSA-N 1 0 318.461 3.063 50 0 DGAARO COc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000010017880 431452583 /nfs/dbraw/zinc/45/25/83/431452583.db2.gz NNDIDJBGZROFKN-QGZVFWFLSA-N 1 0 312.413 3.036 50 0 DGAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)c1 ZINC000010228873 431456896 /nfs/dbraw/zinc/45/68/96/431456896.db2.gz ITXBDYMDBXJUTJ-GOSISDBHSA-N 1 0 310.397 3.131 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000010328142 431459417 /nfs/dbraw/zinc/45/94/17/431459417.db2.gz TWZLGCXKBMMSNS-INIZCTEOSA-N 1 0 302.805 3.373 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)CCc1ccccc1)c1ccc(F)cc1 ZINC000010329593 431461524 /nfs/dbraw/zinc/46/15/24/431461524.db2.gz ZFXNEZFQKIZDIF-GOSISDBHSA-N 1 0 314.404 3.177 50 0 DGAARO OCc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)o1 ZINC000011753888 431481313 /nfs/dbraw/zinc/48/13/13/431481313.db2.gz UIRSXRCEAYPEEO-CYBMUJFWSA-N 1 0 322.355 3.127 50 0 DGAARO CC(C)/C=C/C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012581129 431520049 /nfs/dbraw/zinc/52/00/49/431520049.db2.gz MTEGXMIIEALPJW-HYSAVQALSA-N 1 0 314.473 3.412 50 0 DGAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000011817946 431484871 /nfs/dbraw/zinc/48/48/71/431484871.db2.gz FZNIVRXDUOVENG-MRXNPFEDSA-N 1 0 300.402 3.305 50 0 DGAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1CCCC[C@H]1CO ZINC000011999496 431489201 /nfs/dbraw/zinc/48/92/01/431489201.db2.gz AIAHMVGWMFMWBD-LBPRGKRZSA-N 1 0 322.355 3.275 50 0 DGAARO Cc1c(C[N@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cnn1C ZINC000012151028 431495060 /nfs/dbraw/zinc/49/50/60/431495060.db2.gz YTTUMRHWPYRERU-HNNXBMFYSA-N 1 0 315.465 3.030 50 0 DGAARO CC(C)[NH+]1CCC(n2c3ncccc3nc2[C@H]2CCCO2)CC1 ZINC000012185336 431497098 /nfs/dbraw/zinc/49/70/98/431497098.db2.gz PECBKEUWCHGKPR-MRXNPFEDSA-N 1 0 314.433 3.328 50 0 DGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cc(C)c(C)o2)C1 ZINC000012314824 431498900 /nfs/dbraw/zinc/49/89/00/431498900.db2.gz NRSBUKFVKPRGGZ-SFHVURJKSA-N 1 0 323.433 3.078 50 0 DGAARO Cc1ccc(N[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1C ZINC000012304880 431499322 /nfs/dbraw/zinc/49/93/22/431499322.db2.gz UTGHEVYAULNUMB-LJQANCHMSA-N 1 0 312.461 3.467 50 0 DGAARO CC(C)(C)[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000012381492 431502633 /nfs/dbraw/zinc/50/26/33/431502633.db2.gz GBGKQBDIQFSQTI-UHFFFAOYSA-N 1 0 323.400 3.343 50 0 DGAARO Cn1ccnc1C[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000012434233 431509068 /nfs/dbraw/zinc/50/90/68/431509068.db2.gz YKGSEAOBZDKCQY-OAHLLOKOSA-N 1 0 301.409 3.404 50 0 DGAARO CCOc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCCC3)cc1 ZINC000103725443 279949887 /nfs/dbraw/zinc/94/98/87/279949887.db2.gz RVFSHGQCVPUILM-UHFFFAOYSA-N 1 0 315.393 3.283 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)c1ccsc1 ZINC000013011212 431544148 /nfs/dbraw/zinc/54/41/48/431544148.db2.gz GCGZPEPWCRJVBJ-AWEZNQCLSA-N 1 0 308.834 3.434 50 0 DGAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000013001896 431544503 /nfs/dbraw/zinc/54/45/03/431544503.db2.gz QMWFOLDFTHDURZ-CZUORRHYSA-N 1 0 310.397 3.299 50 0 DGAARO CC[NH+]1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013326410 431552166 /nfs/dbraw/zinc/55/21/66/431552166.db2.gz AGRIGEPFAFMYKA-UHFFFAOYSA-N 1 0 315.244 3.136 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2Cl)C1 ZINC000013646478 431563913 /nfs/dbraw/zinc/56/39/13/431563913.db2.gz PCYURQFCTSIWCX-OKILXGFUSA-N 1 0 308.853 3.438 50 0 DGAARO Cc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000014093125 431576611 /nfs/dbraw/zinc/57/66/11/431576611.db2.gz CHEZGESQIISSEH-GOSISDBHSA-N 1 0 311.429 3.289 50 0 DGAARO Cc1cccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000014093126 431577334 /nfs/dbraw/zinc/57/73/34/431577334.db2.gz CHEZGESQIISSEH-SFHVURJKSA-N 1 0 311.429 3.289 50 0 DGAARO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)sc1C ZINC000025329501 280350268 /nfs/dbraw/zinc/35/02/68/280350268.db2.gz YFOUBEVRGWUGHH-CYBMUJFWSA-N 1 0 308.472 3.459 50 0 DGAARO CSc1nc(C)cc(N2CCC([C@@H](C)[NH+]3CCCC3)CC2)n1 ZINC000077440200 431593214 /nfs/dbraw/zinc/59/32/14/431593214.db2.gz WKAYYJQGBKGFAZ-CQSZACIVSA-N 1 0 320.506 3.208 50 0 DGAARO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)C1CCCCCC1 ZINC000014705149 431595811 /nfs/dbraw/zinc/59/58/11/431595811.db2.gz XTPZEOBDXHUDOQ-UHFFFAOYSA-N 1 0 302.418 3.482 50 0 DGAARO CCCCN1C[C@]2(CCC[N@H+](Cc3ccncc3)C2)CCC1=O ZINC000077453771 431597193 /nfs/dbraw/zinc/59/71/93/431597193.db2.gz PHOPVELDEBKHLR-LJQANCHMSA-N 1 0 315.461 3.086 50 0 DGAARO CCOC(=O)[C@]1(Cc2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000015020754 431601427 /nfs/dbraw/zinc/60/14/27/431601427.db2.gz CYWNDWUSSYSXTQ-HNNXBMFYSA-N 1 0 316.228 3.469 50 0 DGAARO C[NH+](C)[C@H](CNc1ncnc2sccc21)Cc1ccccc1 ZINC000015128907 431603221 /nfs/dbraw/zinc/60/32/21/431603221.db2.gz NSRJNKGSEVLFPI-AWEZNQCLSA-N 1 0 312.442 3.276 50 0 DGAARO Cc1nc[nH]c1C[NH+]1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000077505309 431603460 /nfs/dbraw/zinc/60/34/60/431603460.db2.gz WPGQKKHUPYKBKZ-UHFFFAOYSA-N 1 0 313.380 3.113 50 0 DGAARO Cc1cc(C)cc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)c1 ZINC000071796158 280417585 /nfs/dbraw/zinc/41/75/85/280417585.db2.gz KBXBCZHUEBCPAQ-IBGZPJMESA-N 1 0 306.413 3.426 50 0 DGAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2ccc3ccccc3c2)C1 ZINC000077380515 431590655 /nfs/dbraw/zinc/59/06/55/431590655.db2.gz KBKDPCWKRXCKRH-OAQYLSRUSA-N 1 0 324.468 3.263 50 0 DGAARO CC(=O)c1ccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489315 431613050 /nfs/dbraw/zinc/61/30/50/431613050.db2.gz RWDDDQNNVPKZQX-GASCZTMLSA-N 1 0 305.418 3.157 50 0 DGAARO Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CC[NH+](C)CC1 ZINC000019878987 431621570 /nfs/dbraw/zinc/62/15/70/431621570.db2.gz ORIBYXUGQOLVKU-FQEVSTJZSA-N 1 0 320.440 3.208 50 0 DGAARO Cc1cc(C[NH2+]CCc2nccn2CC(F)(F)F)ccc1F ZINC000078552498 431682194 /nfs/dbraw/zinc/68/21/94/431682194.db2.gz LCPZLLMTCZJBSZ-UHFFFAOYSA-N 1 0 315.314 3.225 50 0 DGAARO Cc1ccc([C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000078648326 431690526 /nfs/dbraw/zinc/69/05/26/431690526.db2.gz BOCKDSDSLQYMCL-OAQYLSRUSA-N 1 0 324.468 3.283 50 0 DGAARO Cc1cc(C)n(CCC[NH2+]Cc2c[nH]nc2-c2cccs2)n1 ZINC000029654967 431727432 /nfs/dbraw/zinc/72/74/32/431727432.db2.gz VIZWACLWVINQGB-UHFFFAOYSA-N 1 0 315.446 3.131 50 0 DGAARO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1OC(F)F)C1CC1 ZINC000029725330 431728292 /nfs/dbraw/zinc/72/82/92/431728292.db2.gz VNDCEPLWGBGENN-LLVKDONJSA-N 1 0 324.371 3.489 50 0 DGAARO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000031566112 431762202 /nfs/dbraw/zinc/76/22/02/431762202.db2.gz KRYHMAVDYZADME-MRXNPFEDSA-N 1 0 314.454 3.451 50 0 DGAARO Cc1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000029401266 431721219 /nfs/dbraw/zinc/72/12/19/431721219.db2.gz HTTCUFUMMNSBFZ-UHFFFAOYSA-N 1 0 318.424 3.260 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000032674919 431788157 /nfs/dbraw/zinc/78/81/57/431788157.db2.gz BQHYVHQTMGGDDD-FQEVSTJZSA-N 1 0 322.452 3.137 50 0 DGAARO O=C(Cc1cccc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000032752793 431789987 /nfs/dbraw/zinc/78/99/87/431789987.db2.gz WFWRZIOYCIYUSB-UHFFFAOYSA-N 1 0 308.425 3.125 50 0 DGAARO CC(C)[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)C1CC1 ZINC000032777898 431790980 /nfs/dbraw/zinc/79/09/80/431790980.db2.gz WQKCJIZJXHSUOT-UHFFFAOYSA-N 1 0 301.434 3.098 50 0 DGAARO C[N@H+](CCc1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000032804169 431793347 /nfs/dbraw/zinc/79/33/47/431793347.db2.gz UQJPHHXEYXPJCC-UHFFFAOYSA-N 1 0 308.425 3.253 50 0 DGAARO Cc1cccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3)c1 ZINC000034812162 431818188 /nfs/dbraw/zinc/81/81/88/431818188.db2.gz LHCVGENMBBOJEH-UHFFFAOYSA-N 1 0 321.424 3.143 50 0 DGAARO Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000032843753 431797294 /nfs/dbraw/zinc/79/72/94/431797294.db2.gz DSZHHFCCQLMPFI-UHFFFAOYSA-N 1 0 303.450 3.059 50 0 DGAARO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000032912081 431802377 /nfs/dbraw/zinc/80/23/77/431802377.db2.gz DKGVEZQPXTUMNI-LJQANCHMSA-N 1 0 308.425 3.389 50 0 DGAARO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000033470925 431814859 /nfs/dbraw/zinc/81/48/59/431814859.db2.gz IHEXZPUEZIYHOA-MAJSYBNXSA-N 1 0 319.445 3.200 50 0 DGAARO COc1ccc(C[NH2+]Cc2cccnc2)cc1OCC(C)C ZINC000032185528 431773441 /nfs/dbraw/zinc/77/34/41/431773441.db2.gz RYNQLFPSYFYYLS-UHFFFAOYSA-N 1 0 300.402 3.415 50 0 DGAARO Cc1cc(NC(=O)c2ccsc2)ccc1N1CC[NH+](C)CC1 ZINC000032495602 431782642 /nfs/dbraw/zinc/78/26/42/431782642.db2.gz 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Cc1ccccc1C[N@H+](C[C@@H](O)COCc1ccco1)C1CC1 ZINC000036104561 431837680 /nfs/dbraw/zinc/83/76/80/431837680.db2.gz MGJXRKXUUCTWHM-GOSISDBHSA-N 1 0 315.413 3.130 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)CCCc1ccccc1 ZINC000036397839 431839430 /nfs/dbraw/zinc/83/94/30/431839430.db2.gz PSEUORVSTAGMIS-UHFFFAOYSA-N 1 0 310.441 3.387 50 0 DGAARO Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000085387394 431839458 /nfs/dbraw/zinc/83/94/58/431839458.db2.gz VZEHTFKFVMELPT-XYJFISCASA-N 1 0 317.477 3.346 50 0 DGAARO CC(C)(C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C(N)=O ZINC000095462747 431926160 /nfs/dbraw/zinc/92/61/60/431926160.db2.gz SWCGBFZQZGRHQE-GFCCVEGCSA-N 1 0 301.217 3.082 50 0 DGAARO Cc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cn1 ZINC000047826016 431916550 /nfs/dbraw/zinc/91/65/50/431916550.db2.gz SJQHHXCYGNIOMJ-UHFFFAOYSA-N 1 0 304.777 3.104 50 0 DGAARO CCc1cnc(C)nc1N1CCC([NH+]2CCCCCC2)CC1 ZINC000095511726 431926438 /nfs/dbraw/zinc/92/64/38/431926438.db2.gz HSCDSIHVERIOPE-UHFFFAOYSA-N 1 0 302.466 3.192 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1cccs1 ZINC000095348762 431922048 /nfs/dbraw/zinc/92/20/48/431922048.db2.gz YJLIYSTYDMDGIF-LLVKDONJSA-N 1 0 302.378 3.319 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3CC3)cc2)C1 ZINC000048300588 431922403 /nfs/dbraw/zinc/92/24/03/431922403.db2.gz AGMVVBKFPUEOMZ-GJZGRUSLSA-N 1 0 300.446 3.191 50 0 DGAARO CC(C)[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000048304218 431922875 /nfs/dbraw/zinc/92/28/75/431922875.db2.gz MWMLMVRAADEZLS-FQEVSTJZSA-N 1 0 322.452 3.386 50 0 DGAARO C[C@H](c1ccon1)N(C)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095362750 431922948 /nfs/dbraw/zinc/92/29/48/431922948.db2.gz NWNFHHQOCNAVHY-CQSZACIVSA-N 1 0 319.449 3.239 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3CC3)cc2)C1 ZINC000048300589 431923354 /nfs/dbraw/zinc/92/33/54/431923354.db2.gz AGMVVBKFPUEOMZ-HUUCEWRRSA-N 1 0 300.446 3.191 50 0 DGAARO Cc1cccc(CC2(NC(=O)[C@H]3CCCCC[N@H+]3C)CC2)c1 ZINC000095359691 431923377 /nfs/dbraw/zinc/92/33/77/431923377.db2.gz QFAHAIYIRSZLBJ-QGZVFWFLSA-N 1 0 300.446 3.061 50 0 DGAARO O=C(NC1Cc2ccccc2C1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095362819 431923479 /nfs/dbraw/zinc/92/34/79/431923479.db2.gz RNZFWWQVXYQHIG-LJQANCHMSA-N 1 0 320.436 3.051 50 0 DGAARO c1coc([C@@H](CNc2ncnc3ccccc32)[NH+]2CCCC2)c1 ZINC000048332320 431923551 /nfs/dbraw/zinc/92/35/51/431923551.db2.gz RMLPUDJOKHWMBS-MRXNPFEDSA-N 1 0 308.385 3.472 50 0 DGAARO Cc1c2ccccc2oc1CNC(=O)[C@@H]1CCCCC[N@H+]1C ZINC000095387496 431923725 /nfs/dbraw/zinc/92/37/25/431923725.db2.gz BGAYQRFLCRYXID-HNNXBMFYSA-N 1 0 300.402 3.232 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccccc1F ZINC000048332675 431923927 /nfs/dbraw/zinc/92/39/27/431923927.db2.gz KLYBZQVXANHCEU-GFCCVEGCSA-N 1 0 314.339 3.396 50 0 DGAARO Cc1ccc(CCCNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000095382748 431924393 /nfs/dbraw/zinc/92/43/93/431924393.db2.gz IGWDBTKGVDQUCB-GOSISDBHSA-N 1 0 302.462 3.308 50 0 DGAARO C[NH+](C)Cc1cccc(NC(=O)c2ccccc2-n2cccn2)c1 ZINC000044504034 431874246 /nfs/dbraw/zinc/87/42/46/431874246.db2.gz PCOQSFHKVBARKF-UHFFFAOYSA-N 1 0 320.396 3.186 50 0 DGAARO Cc1cnc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cn1 ZINC000089702253 431875303 /nfs/dbraw/zinc/87/53/03/431875303.db2.gz XRARDGMBKGIQJI-SJORKVTESA-N 1 0 315.417 3.246 50 0 DGAARO Cc1csc(N(C(=O)c2cccc(C[NH+](C)C)c2)C2CC2)n1 ZINC000089705711 431875352 /nfs/dbraw/zinc/87/53/52/431875352.db2.gz HHMYOGRNZUPHON-UHFFFAOYSA-N 1 0 315.442 3.322 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(Cl)cccc1Cl ZINC000044670873 431876183 /nfs/dbraw/zinc/87/61/83/431876183.db2.gz LHSAORDNHPFUND-LLVKDONJSA-N 1 0 315.244 3.136 50 0 DGAARO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cccs1 ZINC000095422769 431925332 /nfs/dbraw/zinc/92/53/32/431925332.db2.gz UCVCYKJQKWVMSQ-SECBINFHSA-N 1 0 316.352 3.320 50 0 DGAARO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccncc1Cl)c1ccco1 ZINC000089794410 431879783 /nfs/dbraw/zinc/87/97/83/431879783.db2.gz CLXYPTVPUZKBPA-HIFRSBDPSA-N 1 0 306.793 3.416 50 0 DGAARO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccncc1Cl)c1ccco1 ZINC000089794409 431879923 /nfs/dbraw/zinc/87/99/23/431879923.db2.gz CLXYPTVPUZKBPA-UKRRQHHQSA-N 1 0 306.793 3.416 50 0 DGAARO c1cn2c(n1)[C@@H](C[NH2+]Cc1ccccc1OCC1CC1)CCC2 ZINC000089813991 431880787 /nfs/dbraw/zinc/88/07/87/431880787.db2.gz QSKRNQVEWHAWAB-QGZVFWFLSA-N 1 0 311.429 3.339 50 0 DGAARO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(Cl)nc1 ZINC000089905006 431884794 /nfs/dbraw/zinc/88/47/94/431884794.db2.gz WDBWGKGXRJFJCF-LBPRGKRZSA-N 1 0 313.792 3.167 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(F)cc(F)c1 ZINC000089904552 431885006 /nfs/dbraw/zinc/88/50/06/431885006.db2.gz YCIXVHLABYEJIP-LBPRGKRZSA-N 1 0 314.339 3.396 50 0 DGAARO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)o1 ZINC000090937979 431897216 /nfs/dbraw/zinc/89/72/16/431897216.db2.gz YSOPFTAXKUVMQR-GXTWGEPZSA-N 1 0 311.385 3.037 50 0 DGAARO C[NH+](C)C1(CNC(=O)c2cccc(C(F)(F)F)c2)CCCC1 ZINC000046445513 431897402 /nfs/dbraw/zinc/89/74/02/431897402.db2.gz QEDURKVJKHATPO-UHFFFAOYSA-N 1 0 314.351 3.310 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000097527281 431970787 /nfs/dbraw/zinc/97/07/87/431970787.db2.gz LLTOIOYSDMDLMX-MRXNPFEDSA-N 1 0 324.827 3.454 50 0 DGAARO CCCOc1ccccc1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000097594701 431971869 /nfs/dbraw/zinc/97/18/69/431971869.db2.gz PWBBITUKIDHOFD-KRWDZBQOSA-N 1 0 318.461 3.009 50 0 DGAARO CC(C)C1CCC([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000054556640 431972025 /nfs/dbraw/zinc/97/20/25/431972025.db2.gz PWYDIBNOBDPWKL-UHFFFAOYSA-N 1 0 309.475 3.395 50 0 DGAARO Fc1ccc(-c2nc3c([nH]2)C[N@@H+]([C@@H]2CCSC2)CC3)c(F)c1 ZINC000097655491 431972684 /nfs/dbraw/zinc/97/26/84/431972684.db2.gz HQBFAVYZKUZOPM-LLVKDONJSA-N 1 0 321.396 3.219 50 0 DGAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccc(C)o2)c1 ZINC000097743154 431974303 /nfs/dbraw/zinc/97/43/03/431974303.db2.gz OWHJTVYFLRNZGV-KRWDZBQOSA-N 1 0 312.413 3.356 50 0 DGAARO CSCC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000097742865 431974538 /nfs/dbraw/zinc/97/45/38/431974538.db2.gz PUBMNNWGZLISCL-UHFFFAOYSA-N 1 0 322.474 3.091 50 0 DGAARO CCCc1nc(C(=O)N(C)CC[NH+]2CCCCCC2)cs1 ZINC000097785063 431974916 /nfs/dbraw/zinc/97/49/16/431974916.db2.gz PKVBTBGVGTVRGV-UHFFFAOYSA-N 1 0 309.479 3.044 50 0 DGAARO c1cnn(Cc2ccc(C[NH+]3CCC(c4cc[nH]n4)CC3)cc2)c1 ZINC000097785592 431975297 /nfs/dbraw/zinc/97/52/97/431975297.db2.gz VWWVCSXNUOAHJB-UHFFFAOYSA-N 1 0 321.428 3.034 50 0 DGAARO Cc1cc(C)n(CCC[N@H+](Cc2ccccc2)C[C@H](C)CO)n1 ZINC000055052649 431975712 /nfs/dbraw/zinc/97/57/12/431975712.db2.gz JSWBYFIKMSSHPQ-INIZCTEOSA-N 1 0 315.461 3.021 50 0 DGAARO CCOCC[N@@H+]1CCN(Cc2ccc(Cl)s2)C[C@@H]1CC ZINC000095950834 431928002 /nfs/dbraw/zinc/92/80/02/431928002.db2.gz XOXYLNIJBIJULC-ZDUSSCGKSA-N 1 0 316.898 3.334 50 0 DGAARO C[C@@H](c1ccccc1F)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000095948902 431928052 /nfs/dbraw/zinc/92/80/52/431928052.db2.gz OLCVQVOTJKQMCV-AWEZNQCLSA-N 1 0 314.408 3.278 50 0 DGAARO CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000095961917 431928733 /nfs/dbraw/zinc/92/87/33/431928733.db2.gz IGAVZSWEJVOTJB-HUUCEWRRSA-N 1 0 312.523 3.287 50 0 DGAARO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1cccs1 ZINC000095968222 431929685 /nfs/dbraw/zinc/92/96/85/431929685.db2.gz RRHBUBIPJQHDSD-OLZOCXBDSA-N 1 0 313.430 3.178 50 0 DGAARO COc1ccc(C[NH2+]Cc2ccc(Br)nc2)cc1 ZINC000095976155 431930629 /nfs/dbraw/zinc/93/06/29/431930629.db2.gz MPFXEKZZNBODPY-UHFFFAOYSA-N 1 0 307.191 3.143 50 0 DGAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CCC(O)CC1 ZINC000048686524 431930659 /nfs/dbraw/zinc/93/06/59/431930659.db2.gz NOPFKKIDMPWLMW-UHFFFAOYSA-N 1 0 313.445 3.389 50 0 DGAARO Cc1cc(O)ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095976460 431930649 /nfs/dbraw/zinc/93/06/49/431930649.db2.gz JUFDTJDHCWRHMO-QGZVFWFLSA-N 1 0 324.424 3.095 50 0 DGAARO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000048683503 431930875 /nfs/dbraw/zinc/93/08/75/431930875.db2.gz DMOBTBUAEYXRBY-CQSZACIVSA-N 1 0 324.432 3.070 50 0 DGAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]Cc1ccccc1 ZINC000048681413 431930929 /nfs/dbraw/zinc/93/09/29/431930929.db2.gz JLALKKRGCIGLSS-UHFFFAOYSA-N 1 0 307.353 3.095 50 0 DGAARO FC(F)CN1CCC([NH2+]C[C@H]2C[C@]23CCc2ccccc23)CC1 ZINC000095986484 431931486 /nfs/dbraw/zinc/93/14/86/431931486.db2.gz LHLUSPNQQTVNOW-DNVCBOLYSA-N 1 0 320.427 3.210 50 0 DGAARO CC(C)[C@H](O)C1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000095989209 431932706 /nfs/dbraw/zinc/93/27/06/431932706.db2.gz UWADPIZYSDWFHP-HNNXBMFYSA-N 1 0 305.447 3.025 50 0 DGAARO O=C(CCN1CCC([NH2+]C2CCCC2)CC1)c1ccccc1 ZINC000095992547 431932879 /nfs/dbraw/zinc/93/28/79/431932879.db2.gz RSIQLHGKXNTZSI-UHFFFAOYSA-N 1 0 300.446 3.256 50 0 DGAARO Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)n(CC(F)(F)F)n1 ZINC000096147768 431940649 /nfs/dbraw/zinc/94/06/49/431940649.db2.gz CMOFLXLTRRYEJL-UHFFFAOYSA-N 1 0 324.350 3.412 50 0 DGAARO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(F)cc1 ZINC000096193950 431941688 /nfs/dbraw/zinc/94/16/88/431941688.db2.gz SFLXOBTVUAFSDH-ZDUSSCGKSA-N 1 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/nfs/dbraw/zinc/95/30/91/431953091.db2.gz KOOBHURFQHPOJW-KZNAEPCWSA-N 1 0 303.450 3.102 50 0 DGAARO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)ccc1F ZINC000096489381 431953554 /nfs/dbraw/zinc/95/35/54/431953554.db2.gz AKAAWMPZMUVNBJ-TZMCWYRMSA-N 1 0 303.381 3.005 50 0 DGAARO C[C@@H](Cc1ccsc1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000052524808 431956531 /nfs/dbraw/zinc/95/65/31/431956531.db2.gz MGGATPQORPPXAI-CABCVRRESA-N 1 0 323.506 3.100 50 0 DGAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000097037315 431957213 /nfs/dbraw/zinc/95/72/13/431957213.db2.gz RUEKHWQGCSDBRM-CKEIUWERSA-N 1 0 312.417 3.410 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nc(C(C)C)nc32)C1(C)C ZINC000097034652 431957336 /nfs/dbraw/zinc/95/73/36/431957336.db2.gz LMLJOYQFPRFQSL-MGPQQGTHSA-N 1 0 306.454 3.030 50 0 DGAARO CCn1cc(C[NH+]2CCC(OCc3ccccc3C)CC2)cn1 ZINC000097050910 431958858 /nfs/dbraw/zinc/95/88/58/431958858.db2.gz ZCKHFLBHWCKQAV-UHFFFAOYSA-N 1 0 313.445 3.393 50 0 DGAARO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccncc2)cc1 ZINC000097084038 431960159 /nfs/dbraw/zinc/96/01/59/431960159.db2.gz BZIXENADTDHBAX-OLZOCXBDSA-N 1 0 315.442 3.481 50 0 DGAARO Cc1cccc(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 ZINC000097096468 431961262 /nfs/dbraw/zinc/96/12/62/431961262.db2.gz IHHXODXGJJTVRB-UHFFFAOYSA-N 1 0 311.429 3.027 50 0 DGAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000097159235 431963235 /nfs/dbraw/zinc/96/32/35/431963235.db2.gz JSFOWJBDSLQQKR-UHFFFAOYSA-N 1 0 322.412 3.290 50 0 DGAARO Fc1cc(Br)ccc1OCC[NH2+]C1CCCC1 ZINC000053586217 431963725 /nfs/dbraw/zinc/96/37/25/431963725.db2.gz UBJBFSBMMUCQJP-UHFFFAOYSA-N 1 0 302.187 3.499 50 0 DGAARO CCc1nc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000097200927 431964481 /nfs/dbraw/zinc/96/44/81/431964481.db2.gz JXWFPTKTCGOMLK-CQSZACIVSA-N 1 0 316.474 3.343 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000097236053 431965730 /nfs/dbraw/zinc/96/57/30/431965730.db2.gz JXALMRCWDJYRSL-CQSZACIVSA-N 1 0 314.385 3.172 50 0 DGAARO C[C@H]([NH2+][C@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 ZINC000097234807 431965734 /nfs/dbraw/zinc/96/57/34/431965734.db2.gz KERVYLVYOCMPNI-IUCAKERBSA-N 1 0 314.501 3.339 50 0 DGAARO O[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000053945772 431965799 /nfs/dbraw/zinc/96/57/99/431965799.db2.gz JDTFQALJQQDYMB-KRWDZBQOSA-N 1 0 311.360 3.039 50 0 DGAARO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 ZINC000097234805 431966202 /nfs/dbraw/zinc/96/62/02/431966202.db2.gz KERVYLVYOCMPNI-RKDXNWHRSA-N 1 0 314.501 3.339 50 0 DGAARO CCOCc1cc(C[N@@H+]2CCCC[C@@H]2COC)ccc1OC ZINC000097307873 431967080 /nfs/dbraw/zinc/96/70/80/431967080.db2.gz SKXPCXVNQFWNSF-QGZVFWFLSA-N 1 0 307.434 3.233 50 0 DGAARO CCc1cc(Cl)ccc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000097288722 431967260 /nfs/dbraw/zinc/96/72/60/431967260.db2.gz SOQKOQNFNCOMCW-KRWDZBQOSA-N 1 0 321.852 3.462 50 0 DGAARO CC[NH+](CC)[C@@H](C)CNc1ncnc2sc3c(c21)CCC3 ZINC000097261964 431967279 /nfs/dbraw/zinc/96/72/79/431967279.db2.gz LCBKEEXZJTYTMX-NSHDSACASA-N 1 0 304.463 3.322 50 0 DGAARO COC1(C[NH2+][C@H](C)C(C)(C)c2ccc(F)cc2)CCOCC1 ZINC000097374996 431967805 /nfs/dbraw/zinc/96/78/05/431967805.db2.gz PGHMAMMUGSATNB-CQSZACIVSA-N 1 0 309.425 3.277 50 0 DGAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+][C@H](C)c3ccccc3)C2=O)cc1 ZINC000100865552 431982972 /nfs/dbraw/zinc/98/29/72/431982972.db2.gz IUZKATVGXGGGGI-RDTXWAMCSA-N 1 0 322.408 3.232 50 0 DGAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2=O)cc1 ZINC000100865545 431983277 /nfs/dbraw/zinc/98/32/77/431983277.db2.gz IUZKATVGXGGGGI-KBXCAEBGSA-N 1 0 322.408 3.232 50 0 DGAARO Oc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543061 431983916 /nfs/dbraw/zinc/98/39/16/431983916.db2.gz CTWWNADSPARUHO-UHFFFAOYSA-N 1 0 302.805 3.368 50 0 DGAARO CC[C@@H](CO)[N@H+](Cc1ccccc1C)Cc1nc(C)ccc1O ZINC000055575724 431984194 /nfs/dbraw/zinc/98/41/94/431984194.db2.gz UECQVXXKWPJILI-KRWDZBQOSA-N 1 0 314.429 3.177 50 0 DGAARO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000095426426 281209938 /nfs/dbraw/zinc/20/99/38/281209938.db2.gz GXWPNJPHEYEQFP-GVDBMIGSSA-N 1 0 316.445 3.131 50 0 DGAARO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccnc(N)c1 ZINC000191551308 432276374 /nfs/dbraw/zinc/27/63/74/432276374.db2.gz SHGWGZHPZWKFCY-UHFFFAOYSA-N 1 0 311.307 3.194 50 0 DGAARO CC(C)CCC(=O)Nc1ccc(N2CC[NH+](C3CC3)CC2)cc1 ZINC000058323136 431995214 /nfs/dbraw/zinc/99/52/14/431995214.db2.gz AGHRYFNTUZPHQX-UHFFFAOYSA-N 1 0 315.461 3.346 50 0 DGAARO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000252241512 432375801 /nfs/dbraw/zinc/37/58/01/432375801.db2.gz KHTYKGGMEKPUPZ-KGLIPLIRSA-N 1 0 301.390 3.156 50 0 DGAARO COc1ccc2c(c1OC)CC[C@H]2[NH2+]CCN1CCCCCC1 ZINC000252493440 432379527 /nfs/dbraw/zinc/37/95/27/432379527.db2.gz NBYDQCCXPCKFKK-QGZVFWFLSA-N 1 0 318.461 3.157 50 0 DGAARO C[N@H+](Cc1cncn1Cc1ccccc1)C1CCSCC1 ZINC000252489014 432380092 /nfs/dbraw/zinc/38/00/92/432380092.db2.gz JDQGGYDKCOUMFI-UHFFFAOYSA-N 1 0 301.459 3.259 50 0 DGAARO Cc1cccnc1C[N@H+](C)CCC(=O)NC1CCCCCC1 ZINC000252488995 432380305 /nfs/dbraw/zinc/38/03/05/432380305.db2.gz JDKCMDUYUFTJIY-UHFFFAOYSA-N 1 0 303.450 3.051 50 0 DGAARO O=C(CC[N@@H+]1CCC[C@@H]1c1nccs1)NC1CCCCC1 ZINC000252499195 432380417 /nfs/dbraw/zinc/38/04/17/432380417.db2.gz RWXPPHVRKZPWIV-CQSZACIVSA-N 1 0 307.463 3.119 50 0 DGAARO COc1ccc(CCC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1F ZINC000252512278 432380790 /nfs/dbraw/zinc/38/07/90/432380790.db2.gz ORNBZGBFJCSXLM-RDJZCZTQSA-N 1 0 307.409 3.268 50 0 DGAARO O=C1CCCCN1CC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000192731436 432407194 /nfs/dbraw/zinc/40/71/94/432407194.db2.gz HPZXYQFKSKYPRL-UHFFFAOYSA-N 1 0 323.440 3.464 50 0 DGAARO CSCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000252500116 432381547 /nfs/dbraw/zinc/38/15/47/432381547.db2.gz SNFSUPSWZIHMKX-INIZCTEOSA-N 1 0 306.475 3.083 50 0 DGAARO COc1ccc(CCC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1F ZINC000252512277 432381930 /nfs/dbraw/zinc/38/19/30/432381930.db2.gz ORNBZGBFJCSXLM-DOTOQJQBSA-N 1 0 307.409 3.268 50 0 DGAARO CCC1=NO[C@H](C[N@H+](C)Cc2ccc(OC)c3ncccc23)C1 ZINC000252500073 432382068 /nfs/dbraw/zinc/38/20/68/432382068.db2.gz SMTVBZNIDBZCJG-HNNXBMFYSA-N 1 0 313.401 3.230 50 0 DGAARO COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1F ZINC000192961024 432433742 /nfs/dbraw/zinc/43/37/42/432433742.db2.gz YVXJQUQXUOIVMI-ZFWWWQNUSA-N 1 0 303.381 3.114 50 0 DGAARO CN1CCC2(CC[NH+](Cc3cc(F)cc(F)c3)CC2)CCC1=O ZINC000257185142 432416843 /nfs/dbraw/zinc/41/68/43/432416843.db2.gz JFZOXYNBFPBRGW-UHFFFAOYSA-N 1 0 322.399 3.189 50 0 DGAARO Cc1ccc([C@](C)(O)C[NH2+][C@H]2CCCNc3ccccc32)o1 ZINC000192899870 432427288 /nfs/dbraw/zinc/42/72/88/432427288.db2.gz XMEFGQPCWPNWOX-FUHWJXTLSA-N 1 0 300.402 3.332 50 0 DGAARO Cc1ccc([C@](C)(O)C[NH2+][C@@H]2CCCNc3ccccc32)o1 ZINC000192899845 432427682 /nfs/dbraw/zinc/42/76/82/432427682.db2.gz XMEFGQPCWPNWOX-SJLPKXTDSA-N 1 0 300.402 3.332 50 0 DGAARO c1ccc([C@H]2C[NH2+]CCN2Cc2nc3ccccc3s2)cc1 ZINC000262139184 432476890 /nfs/dbraw/zinc/47/68/90/432476890.db2.gz MGESERNAXOHOAC-MRXNPFEDSA-N 1 0 309.438 3.443 50 0 DGAARO Clc1ccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193997082 432515779 /nfs/dbraw/zinc/51/57/79/432515779.db2.gz KUPSAKYSWOUVTF-ZDUSSCGKSA-N 1 0 305.809 3.322 50 0 DGAARO C[NH+]1CCC(CNC(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000156953738 432611293 /nfs/dbraw/zinc/61/12/93/432611293.db2.gz ABKGRENLZDOTQQ-UHFFFAOYSA-N 1 0 324.428 3.212 50 0 DGAARO Cn1cc(C[N@H+](C)CCC[C@@H]2CCCO2)c(-c2ccccc2)n1 ZINC000216058724 432647789 /nfs/dbraw/zinc/64/77/89/432647789.db2.gz VVNGNWJETYDPNC-GOSISDBHSA-N 1 0 313.445 3.478 50 0 DGAARO Fc1ccc(CCN2CCC([NH2+]CCC(F)(F)F)CC2)cc1 ZINC000195541231 432627274 /nfs/dbraw/zinc/62/72/74/432627274.db2.gz MUVQJLKKSUSKRM-UHFFFAOYSA-N 1 0 318.358 3.375 50 0 DGAARO CCc1ccc(C[NH+]2CCC(OCc3ccccn3)CC2)o1 ZINC000215986886 432647972 /nfs/dbraw/zinc/64/79/72/432647972.db2.gz GNZYOMRUXLWXJD-UHFFFAOYSA-N 1 0 300.402 3.418 50 0 DGAARO CCCO[C@@H]1CCC[N@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000215349239 432642810 /nfs/dbraw/zinc/64/28/10/432642810.db2.gz OSGKRAVGGJLAPF-GOSISDBHSA-N 1 0 317.408 3.402 50 0 DGAARO Cn1ccnc1CCC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000215347074 432643165 /nfs/dbraw/zinc/64/31/65/432643165.db2.gz WUJKIAAJWJSOAH-UHFFFAOYSA-N 1 0 310.401 3.140 50 0 DGAARO CCc1ccc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)nc1 ZINC000215880064 432645258 /nfs/dbraw/zinc/64/52/58/432645258.db2.gz KXNYZIIYJVEUDC-NRFANRHFSA-N 1 0 324.468 3.460 50 0 DGAARO CCc1ccc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)nc1 ZINC000215880017 432645327 /nfs/dbraw/zinc/64/53/27/432645327.db2.gz KXNYZIIYJVEUDC-OAQYLSRUSA-N 1 0 324.468 3.460 50 0 DGAARO CCn1ccc2c1cccc2C[N@H+](C)CCCc1nccn1C ZINC000215802721 432645581 /nfs/dbraw/zinc/64/55/81/432645581.db2.gz ZTKFAZCDBYHURA-UHFFFAOYSA-N 1 0 310.445 3.459 50 0 DGAARO COCc1ccc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)s1 ZINC000216097538 432646933 /nfs/dbraw/zinc/64/69/33/432646933.db2.gz CPSKXFOMTHRGGW-UHFFFAOYSA-N 1 0 324.490 3.279 50 0 DGAARO C[NH+](C)Cc1csc(CN2CC(Oc3ccc(F)cc3)C2)c1 ZINC000216348839 432649930 /nfs/dbraw/zinc/64/99/30/432649930.db2.gz ACCRQDCSWVEUJS-UHFFFAOYSA-N 1 0 320.433 3.212 50 0 DGAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCCc2nccn2C)cc1 ZINC000216329614 432650169 /nfs/dbraw/zinc/65/01/69/432650169.db2.gz VMKGIZKFGRNIML-UHFFFAOYSA-N 1 0 323.444 3.183 50 0 DGAARO CCOc1cc(C[N@@H+]2CCC[C@H](O)CC2)c(Cl)cc1OC ZINC000216329680 432650300 /nfs/dbraw/zinc/65/03/00/432650300.db2.gz ASTCFSOUTRJHFR-ZDUSSCGKSA-N 1 0 313.825 3.094 50 0 DGAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc2ccccc2cn1 ZINC000219424131 432663351 /nfs/dbraw/zinc/66/33/51/432663351.db2.gz CZOWOUSKIIEHML-HNNXBMFYSA-N 1 0 323.440 3.229 50 0 DGAARO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C[NH3+])cc3)C2)cc1 ZINC000225464710 432692714 /nfs/dbraw/zinc/69/27/14/432692714.db2.gz IJSMVGSJELPEEW-RDTXWAMCSA-N 1 0 324.424 3.172 50 0 DGAARO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccsc1 ZINC000225480307 432692764 /nfs/dbraw/zinc/69/27/64/432692764.db2.gz FDBYOFTYXBMYII-IUODEOHRSA-N 1 0 300.427 3.484 50 0 DGAARO CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)c1 ZINC000225475197 432693279 /nfs/dbraw/zinc/69/32/79/432693279.db2.gz RMORULJZPBFKGT-IBGZPJMESA-N 1 0 323.440 3.189 50 0 DGAARO CO[C@@H](CN(C)CC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000225785425 432697657 /nfs/dbraw/zinc/69/76/57/432697657.db2.gz GSYGRFZVYZLJNZ-SFHVURJKSA-N 1 0 312.413 3.253 50 0 DGAARO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000229899086 432722462 /nfs/dbraw/zinc/72/24/62/432722462.db2.gz CXZJCADNECNSQN-GOEBONIOSA-N 1 0 312.523 3.289 50 0 DGAARO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000236725726 432761252 /nfs/dbraw/zinc/76/12/52/432761252.db2.gz ILRAKXYPTYARSY-JKSUJKDBSA-N 1 0 318.461 3.083 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1sccc1Cl)Cc1ccccc1 ZINC000241961355 432817203 /nfs/dbraw/zinc/81/72/03/432817203.db2.gz URSCAWOJIVSNSP-ZDUSSCGKSA-N 1 0 322.861 3.304 50 0 DGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2nc(C(C)C)c(C)s2)C1 ZINC000241587853 432817433 /nfs/dbraw/zinc/81/74/33/432817433.db2.gz OXQAZTKVFYJTFA-CQSZACIVSA-N 1 0 323.506 3.060 50 0 DGAARO CO[C@@H](C[NH2+][C@@H](c1nnc2ccccn21)C(C)C)c1ccccc1 ZINC000242140889 432817565 /nfs/dbraw/zinc/81/75/65/432817565.db2.gz WQDWTIHJLBQEMM-FUHWJXTLSA-N 1 0 324.428 3.404 50 0 DGAARO O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000242263314 432818115 /nfs/dbraw/zinc/81/81/15/432818115.db2.gz XXZQRIZSWSJCOK-UHFFFAOYSA-N 1 0 323.421 3.237 50 0 DGAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1ccccn1)Nc1nccs1 ZINC000243932302 432819878 /nfs/dbraw/zinc/81/98/78/432819878.db2.gz BUOCKHKKGOUCAH-CQSZACIVSA-N 1 0 316.430 3.094 50 0 DGAARO O=C(CC[N@@H+]1CCCC[C@H]1c1ccccn1)Nc1nccs1 ZINC000243932301 432820098 /nfs/dbraw/zinc/82/00/98/432820098.db2.gz BUOCKHKKGOUCAH-AWEZNQCLSA-N 1 0 316.430 3.094 50 0 DGAARO COc1ccc(OCC2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000243956769 432820990 /nfs/dbraw/zinc/82/09/90/432820990.db2.gz CDQYLBPEZRTOJJ-KRWDZBQOSA-N 1 0 319.445 3.213 50 0 DGAARO Fc1ccccc1-c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000244708053 432822220 /nfs/dbraw/zinc/82/22/20/432822220.db2.gz KMRUPCGXIPMNFS-AWEZNQCLSA-N 1 0 300.377 3.366 50 0 DGAARO c1ccc2sc(N3CC[NH+](C4CCSCC4)CC3)nc2c1 ZINC000244652025 432822771 /nfs/dbraw/zinc/82/27/71/432822771.db2.gz GYLBIGBYLJSRMM-UHFFFAOYSA-N 1 0 319.499 3.314 50 0 DGAARO CN(Cc1cccc2ccccc21)c1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000244708163 432822885 /nfs/dbraw/zinc/82/28/85/432822885.db2.gz KOVKXBCWBKEHDO-CALCHBBNSA-N 1 0 318.424 3.471 50 0 DGAARO Cc1ccc(NC(=O)CC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000244794813 432823407 /nfs/dbraw/zinc/82/34/07/432823407.db2.gz QUBIQWZANYKOJE-ZDUSSCGKSA-N 1 0 310.825 3.088 50 0 DGAARO Cc1cc2cc(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)oc2cc1C ZINC000237501735 432790150 /nfs/dbraw/zinc/79/01/50/432790150.db2.gz BCBTZXMIKMFRTQ-UONOGXRCSA-N 1 0 300.402 3.249 50 0 DGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000241287518 432815357 /nfs/dbraw/zinc/81/53/57/432815357.db2.gz LMDQSOYCBOGPBR-FTWQHDNSSA-N 1 0 312.457 3.059 50 0 DGAARO Cc1cn2c(C[N@@H+](C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c(C)nc2s1 ZINC000241277704 432815492 /nfs/dbraw/zinc/81/54/92/432815492.db2.gz LILIQKTWVPLHGU-NWANDNLSSA-N 1 0 319.474 3.258 50 0 DGAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H](OCC)C(C)C)C[C@@H]1C ZINC000241447040 432815519 /nfs/dbraw/zinc/81/55/19/432815519.db2.gz NQRYNJHIWQZHKE-NXOAAHMSSA-N 1 0 313.482 3.395 50 0 DGAARO C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C[C@H]1n1ccnc1 ZINC000241316869 432815534 /nfs/dbraw/zinc/81/55/34/432815534.db2.gz LVQBNVFFONXJJH-XYPHTWIQSA-N 1 0 319.836 3.153 50 0 DGAARO C[C@H](Cc1ccccn1)[N@H+](C)CCC(=O)NC1CCCCCC1 ZINC000240971738 432815781 /nfs/dbraw/zinc/81/57/81/432815781.db2.gz UCBHXDWLZCDLIU-MRXNPFEDSA-N 1 0 317.477 3.174 50 0 DGAARO CSc1cccc(CN(C)c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)c1 ZINC000240824840 432815784 /nfs/dbraw/zinc/81/57/84/432815784.db2.gz QLGSCPLMTIOJNN-OKILXGFUSA-N 1 0 314.458 3.040 50 0 DGAARO C[NH+](C)CCOC(=O)C1c2ccccc2CCCc2ccccc21 ZINC000252504816 289165160 /nfs/dbraw/zinc/16/51/60/289165160.db2.gz VMFRREBNPCFDOA-UHFFFAOYSA-N 1 0 323.436 3.412 50 0 DGAARO CN(c1ncnc2sc3c(c21)CCCC3)C1CC[NH+](C)CC1 ZINC000000098649 289788276 /nfs/dbraw/zinc/78/82/76/289788276.db2.gz BJVZZTSXDYXJHG-UHFFFAOYSA-N 1 0 316.474 3.101 50 0 DGAARO CC(C)CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000299767459 433381999 /nfs/dbraw/zinc/38/19/99/433381999.db2.gz GVUKPBGRDCQHPY-QGZVFWFLSA-N 1 0 306.425 3.343 50 0 DGAARO CC[C@H](C(=O)NC1(c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000299784285 433383673 /nfs/dbraw/zinc/38/36/73/433383673.db2.gz ZPVDGOBUDDXTNF-OAHLLOKOSA-N 1 0 306.837 3.320 50 0 DGAARO Cc1cc(-c2cccc(C(=O)NCC[C@H]3CCC[N@H+]3C)c2)ccn1 ZINC000299799318 433387386 /nfs/dbraw/zinc/38/73/86/433387386.db2.gz RGCPTOJFJDYWFI-LJQANCHMSA-N 1 0 323.440 3.271 50 0 DGAARO CC[C@@H](NC(=O)CC[NH+]1CCCCCC1)c1cccc(C)n1 ZINC000299793818 433387860 /nfs/dbraw/zinc/38/78/60/433387860.db2.gz JDRQIAWVIRFLEV-MRXNPFEDSA-N 1 0 303.450 3.223 50 0 DGAARO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000426477901 433512971 /nfs/dbraw/zinc/51/29/71/433512971.db2.gz KSUHFTLMFLJSRB-IBGZPJMESA-N 1 0 322.408 3.038 50 0 DGAARO COc1coc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)cc1=O ZINC000426571818 433532528 /nfs/dbraw/zinc/53/25/28/433532528.db2.gz RLMBWKBAUHCTNY-MRXNPFEDSA-N 1 0 313.397 3.274 50 0 DGAARO [NH3+][C@@H]1CCCN(Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000426430633 433497002 /nfs/dbraw/zinc/49/70/02/433497002.db2.gz GAKJIXHFUDDSRR-LJQANCHMSA-N 1 0 310.441 3.231 50 0 DGAARO [NH3+][C@@H]1CC[C@H](NC(=O)NCc2sc3ccccc3c2Cl)C1 ZINC000426445643 433498502 /nfs/dbraw/zinc/49/85/02/433498502.db2.gz QADWORQAXBQMAA-ZJUUUORDSA-N 1 0 323.849 3.234 50 0 DGAARO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(F)c1Cl ZINC000342275555 433580942 /nfs/dbraw/zinc/58/09/42/433580942.db2.gz YGJCGSSCZPALAL-UHFFFAOYSA-N 1 0 312.816 3.427 50 0 DGAARO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cscc2C)cc1 ZINC000284297460 433875361 /nfs/dbraw/zinc/87/53/61/433875361.db2.gz KOLAIUULPCNDRL-INIZCTEOSA-N 1 0 318.442 3.098 50 0 DGAARO C[C@@H]([NH2+]CC1=CCCOC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000379836960 434264699 /nfs/dbraw/zinc/26/46/99/434264699.db2.gz ZIANIIMRCAMDNR-ZBFHGGJFSA-N 1 0 324.465 3.101 50 0 DGAARO CCOC1CC2(C1)CC[N@H+](Cc1cc(OC)c(OC)cc1C)C2 ZINC000348872159 434537492 /nfs/dbraw/zinc/53/74/92/434537492.db2.gz ZMPVRIVPBJPAIK-UHFFFAOYSA-N 1 0 319.445 3.403 50 0 DGAARO c1cc([C@H]2CCC[N@H+]2CCc2ccc3c(c2)OCCO3)ccn1 ZINC000360206689 434548610 /nfs/dbraw/zinc/54/86/10/434548610.db2.gz BMNLMKLYNUNZTO-QGZVFWFLSA-N 1 0 310.397 3.232 50 0 DGAARO COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000408512884 434582081 /nfs/dbraw/zinc/58/20/81/434582081.db2.gz DKKDYDMGIAZWGZ-OIISXLGYSA-N 1 0 318.461 3.178 50 0 DGAARO FC1(F)CCC(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000408520228 434584964 /nfs/dbraw/zinc/58/49/64/434584964.db2.gz DXAWWFOGSRFQIH-AWEZNQCLSA-N 1 0 324.419 3.229 50 0 DGAARO COc1ccccc1NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000056517457 295374371 /nfs/dbraw/zinc/37/43/71/295374371.db2.gz LRKHIOSVJRAHJW-RBSFLKMASA-N 1 0 319.449 3.183 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000493416064 297407912 /nfs/dbraw/zinc/40/79/12/297407912.db2.gz HFZFMMSZQZWKNF-WLFDKREMSA-N 1 0 312.335 3.057 50 0 DGAARO CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000493308917 435146514 /nfs/dbraw/zinc/14/65/14/435146514.db2.gz WSXDVNRRBRHNPB-FBCBSSEOSA-N 1 0 316.445 3.215 50 0 DGAARO COc1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nc(N)n1 ZINC000534631688 435295114 /nfs/dbraw/zinc/29/51/14/435295114.db2.gz DNRICZYNSHZXTL-CYBMUJFWSA-N 1 0 312.417 3.281 50 0 DGAARO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000648057135 436197714 /nfs/dbraw/zinc/19/77/14/436197714.db2.gz HNKIHQOZEJVFCY-QXAKKESOSA-N 1 0 317.477 3.446 50 0 DGAARO Cc1cc2c(cc1C)[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)CCCO2 ZINC000108372301 301447640 /nfs/dbraw/zinc/44/76/40/301447640.db2.gz TUEHNUMTURZHKW-PXARDIRTSA-N 1 0 309.475 3.264 50 0 DGAARO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000576450445 316131367 /nfs/dbraw/zinc/13/13/67/316131367.db2.gz HICROLSZUFSEQP-KRWDZBQOSA-N 1 0 322.412 3.310 50 0 DGAARO C[S@@](=O)C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000154694363 323213831 /nfs/dbraw/zinc/21/38/31/323213831.db2.gz XQWXQGFOMPRAOV-AVRDEDQJSA-N 1 0 312.438 3.377 50 0 DGAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccncc2)cc1 ZINC000183741588 323347257 /nfs/dbraw/zinc/34/72/57/323347257.db2.gz NDXWOZXBMMEHFL-UHFFFAOYSA-N 1 0 308.385 3.112 50 0 DGAARO C[C@@]1(C(N)=O)CCCCN1Cc1csc(-c2ccsc2)n1 ZINC000185910878 323399323 /nfs/dbraw/zinc/39/93/23/323399323.db2.gz YIEASPZPSSZPTC-HNNXBMFYSA-N 1 0 321.471 3.102 50 0 DGAARO C[C@H]([NH2+]CC1=CCCOC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000379836958 323610721 /nfs/dbraw/zinc/61/07/21/323610721.db2.gz ZIANIIMRCAMDNR-HOCLYGCPSA-N 1 0 324.465 3.101 50 0 DGAARO CC(C)Oc1ccc(CNCC[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000020760480 333385301 /nfs/dbraw/zinc/38/53/01/333385301.db2.gz FXXHGDDOKWKSIH-QGZVFWFLSA-N 1 0 320.477 3.111 50 0 biogenic DGAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCc2ccccc21 ZINC000215938100 333387471 /nfs/dbraw/zinc/38/74/71/333387471.db2.gz BNKADDWWRBAYPK-GOSISDBHSA-N 1 0 300.446 3.051 50 0 DGAARO CC[C@@H](CNC(=O)N(CC)Cc1ccccc1Cl)[NH+](C)C ZINC000534651089 334311972 /nfs/dbraw/zinc/31/19/72/334311972.db2.gz KZVCOUMOWXOSPV-AWEZNQCLSA-N 1 0 311.857 3.212 50 0 DGAARO COc1cc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nc(OC)n1 ZINC000534659678 334315535 /nfs/dbraw/zinc/31/55/35/334315535.db2.gz DSGTYSBIEFCBAJ-CYBMUJFWSA-N 1 0 313.401 3.318 50 0 DGAARO C[C@H](c1cccc(-c2cc(-n3cccn3)ncn2)c1)[NH+]1CCCC1 ZINC000534664678 334318122 /nfs/dbraw/zinc/31/81/22/334318122.db2.gz IUWFNHNNELXYNO-OAHLLOKOSA-N 1 0 319.412 3.486 50 0 DGAARO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000016994360 337352023 /nfs/dbraw/zinc/35/20/23/337352023.db2.gz NIMLFKFFHIODPF-IIDMSEBBSA-N 1 0 305.462 3.329 50 0 DGAARO O=C(Nc1cccc2ccccc21)OCC1(F)CC[NH2+]CC1 ZINC000299804033 534373475 /nfs/dbraw/zinc/37/34/75/534373475.db2.gz SWHGXPLONLDFDN-UHFFFAOYSA-N 1 0 302.349 3.480 50 0 DGAARO CC1CC[NH+](CCSc2nnc(C3CC3)n2C2CC2)CC1 ZINC000154220057 528248114 /nfs/dbraw/zinc/24/81/14/528248114.db2.gz IHANJQILRRTUNL-UHFFFAOYSA-N 1 0 306.479 3.314 50 0 DGAARO CC(C)Oc1ccccc1N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000328593673 528257381 /nfs/dbraw/zinc/25/73/81/528257381.db2.gz WIMHPIZRANNWGV-QGZVFWFLSA-N 1 0 318.461 3.165 50 0 DGAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000000587395 545644268 /nfs/dbraw/zinc/64/42/68/545644268.db2.gz CVFIKSURMWBCCA-UHFFFAOYSA-N 1 0 323.440 3.010 50 0 DGAARO COc1ccc([C@@H](O)CNc2cc[nH+]c3ccccc23)cc1OC ZINC000077982356 545744748 /nfs/dbraw/zinc/74/47/48/545744748.db2.gz BPFOSFXOKZZCJL-KRWDZBQOSA-N 1 0 324.380 3.398 50 0 DGAARO COc1ccc2c(c1)CCCN(c1nc(C)nc3[nH]ccc31)C2 ZINC000080980011 545766631 /nfs/dbraw/zinc/76/66/31/545766631.db2.gz SPMXRUOOKMDWIE-UHFFFAOYSA-N 1 0 308.385 3.228 50 0 DGAARO COc1cc(OC)cc([C@@H]2CC[N@H+](CCc3ccccn3)C2)c1 ZINC000083249968 545779709 /nfs/dbraw/zinc/77/97/09/545779709.db2.gz YYWYTBLVPFCZJM-OAHLLOKOSA-N 1 0 312.413 3.131 50 0 DGAARO CC1(C)Cc2cc(C[NH2+]C[C@@H]3CCCn4ccnc43)ccc2O1 ZINC000084673775 545792875 /nfs/dbraw/zinc/79/28/75/545792875.db2.gz ADZRWFFBANRUMC-HNNXBMFYSA-N 1 0 311.429 3.264 50 0 DGAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)nc2Cl)C1 ZINC000084760841 545793905 /nfs/dbraw/zinc/79/39/05/545793905.db2.gz ZEHOCHSALUMQDJ-CYBMUJFWSA-N 1 0 324.856 3.157 50 0 DGAARO CC(C)=CCN1CCC([NH2+]C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC000090891373 545831355 /nfs/dbraw/zinc/83/13/55/545831355.db2.gz UMWRXXGYGKORJQ-IBGZPJMESA-N 1 0 320.452 3.053 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)c1cccs1 ZINC000090955320 545832306 /nfs/dbraw/zinc/83/23/06/545832306.db2.gz SFZKGXDZSSASOM-OCCSQVGLSA-N 1 0 304.415 3.162 50 0 DGAARO O[C@@H](C[NH2+][C@H]1CCc2c1cccc2Br)c1ccco1 ZINC000091281847 545834354 /nfs/dbraw/zinc/83/43/54/545834354.db2.gz 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ZINC000670470522 547759425 /nfs/dbraw/zinc/75/94/25/547759425.db2.gz CNVKMHZAAGOHAG-IBGZPJMESA-N 1 0 314.429 3.189 50 0 DGAARO CC1(C)[C@H](NCc2nc3ccccc3s2)[C@H]2CCC[NH2+][C@H]21 ZINC000685943153 549810326 /nfs/dbraw/zinc/81/03/26/549810326.db2.gz DWZYVAVJGOFEGQ-IUIKQTSFSA-N 1 0 301.459 3.163 50 0 DGAARO CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000170070743 563903614 /nfs/dbraw/zinc/90/36/14/563903614.db2.gz FBUYULMCHZVKII-OAHLLOKOSA-N 1 0 306.768 3.138 50 0 DGAARO Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000239722614 568416914 /nfs/dbraw/zinc/41/69/14/568416914.db2.gz CDTXACRBCPQARF-DZGCQCFKSA-N 1 0 318.442 3.462 50 0 DGAARO Cc1ccc(C)c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000169781437 575287863 /nfs/dbraw/zinc/28/78/63/575287863.db2.gz NTYNRFZZOXAWLV-KRWDZBQOSA-N 1 0 300.446 3.107 50 0 DGAARO Brc1cccc(CC2C[NH+](C3CCOCC3)C2)c1 ZINC000888096201 618625055 /nfs/dbraw/zinc/62/50/55/618625055.db2.gz NNOOJOCCZIDPOD-UHFFFAOYSA-N 1 0 310.235 3.102 50 0 DGAARO C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CCCOC1 ZINC000119731779 618643636 /nfs/dbraw/zinc/64/36/36/618643636.db2.gz POOPWLPDWYTEID-GFCCVEGCSA-N 1 0 321.371 3.213 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000863983125 621724217 /nfs/dbraw/zinc/72/42/17/621724217.db2.gz BLHMAVWBPJEBCJ-AWEZNQCLSA-N 1 0 323.444 3.228 50 0 DGAARO c1ccc2[nH]c(CCC[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)nc2c1 ZINC000864096821 621735992 /nfs/dbraw/zinc/73/59/92/621735992.db2.gz JLDVCQUSNNHONC-BEFAXECRSA-N 1 0 313.445 3.290 50 0 DGAARO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)NC1CCCC1 ZINC000104705617 627440658 /nfs/dbraw/zinc/44/06/58/627440658.db2.gz VOHWXHZNOLCVRU-SFHVURJKSA-N 1 0 304.409 3.315 50 0 DGAARO c1cc(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)c(OC[C@@H]2CCOC2)cn1 ZINC000952992686 660447027 /nfs/dbraw/zinc/44/70/27/660447027.db2.gz RFAPNFOOTZXOBG-FZCLSBEQSA-N 1 0 316.445 3.165 50 0 DGAARO CCC[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011817384 660477395 /nfs/dbraw/zinc/47/73/95/660477395.db2.gz 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ZINC000089314329 657788779 /nfs/dbraw/zinc/78/87/79/657788779.db2.gz GTNUVDVSUOJQEG-PKNBQFBNSA-N 1 0 300.427 3.106 50 0 DGAARO O=C(CC(F)(F)F)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000015078923 658011337 /nfs/dbraw/zinc/01/13/37/658011337.db2.gz JCSODCWIQAEWNK-CYBMUJFWSA-N 1 0 306.372 3.100 50 0 DGAARO CC1(C)Cc2cccc(CN3CCC([NH+]4CCCC4)CC3)c2O1 ZINC000127722771 658391375 /nfs/dbraw/zinc/39/13/75/658391375.db2.gz ACTOONJIKFGVDA-UHFFFAOYSA-N 1 0 314.473 3.460 50 0 DGAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000019222351 658658470 /nfs/dbraw/zinc/65/84/70/658658470.db2.gz KVKKRKSVWNBJIQ-HXUWFJFHSA-N 1 0 309.457 3.221 50 0 DGAARO CSCC[C@H]([NH3+])c1nc(COc2ccccc2)nn1C(C)C ZINC000952968542 662209103 /nfs/dbraw/zinc/20/91/03/662209103.db2.gz CKRSSGMMSGCRMM-AWEZNQCLSA-N 1 0 320.462 3.191 50 0 DGAARO COc1ccc(C[N@H+]2CCC[C@@H](OC)C2)c2c(OC)cccc12 ZINC000952977850 662209886 /nfs/dbraw/zinc/20/98/86/662209886.db2.gz LDOZMYLWKBATCZ-OAHLLOKOSA-N 1 0 315.413 3.468 50 0 DGAARO CCOc1ccc(CCCNC(=O)[C@H]2CCCCC[N@@H+]2C)cc1 ZINC000952978112 662209922 /nfs/dbraw/zinc/20/99/22/662209922.db2.gz RZDJYLFWLOCELL-GOSISDBHSA-N 1 0 318.461 3.009 50 0 DGAARO O=C(c1ccccn1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000952988595 662210626 /nfs/dbraw/zinc/21/06/26/662210626.db2.gz QOQDXKFVLGCZFU-QGZVFWFLSA-N 1 0 306.409 3.144 50 0 DGAARO Cc1cc2c(c(-c3n[nH]c(C4CCCCC4)n3)c1)O[C@H](C[NH3+])C2 ZINC000067789830 685056557 /nfs/dbraw/zinc/05/65/57/685056557.db2.gz APFHUVJUFWKBLJ-AWEZNQCLSA-N 1 0 312.417 3.090 50 0 DGAARO CC(C)c1nccc(CN(C)C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000071759465 685058211 /nfs/dbraw/zinc/05/82/11/685058211.db2.gz FRBIOOHJYGMKLE-UHFFFAOYSA-N 1 0 304.482 3.341 50 0 DGAARO C/C=C/C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3ncccc32)C1 ZINC001506403146 1186221288 /nfs/dbraw/zinc/22/12/88/1186221288.db2.gz WKQOVBCEPMSQCZ-KZSQQDEKSA-N 1 0 323.440 3.253 50 0 DGAARO CCNc1ccnc(NC[C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC001506401643 1186221674 /nfs/dbraw/zinc/22/16/74/1186221674.db2.gz 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CCCn1c(C)c[nH+]c1CC1CCN(C(=O)c2ccco2)CC1 ZINC000581817158 1083039234 /nfs/dbraw/zinc/03/92/34/1083039234.db2.gz UMEDEYPHJHNDJA-UHFFFAOYSA-N 1 0 315.417 3.289 50 0 DGAARO C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C[NH3+])ccc2O1 ZINC001481528718 1084082613 /nfs/dbraw/zinc/08/26/13/1084082613.db2.gz KHSZNRSBQUUZBQ-ZDUSSCGKSA-N 1 0 305.381 3.321 50 0 DGAARO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000585091221 1084681055 /nfs/dbraw/zinc/68/10/55/1084681055.db2.gz MSLBMZDRCOUWPR-UHFFFAOYSA-N 1 0 303.715 3.382 50 0 DGAARO c1c(-c2cccnc2)nnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000048066912 1087763131 /nfs/dbraw/zinc/76/31/31/1087763131.db2.gz LNWVXTKQAMSVEO-MRXNPFEDSA-N 1 0 323.444 3.333 50 0 DGAARO CSC[C@H](C)[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000200588614 1090610132 /nfs/dbraw/zinc/61/01/32/1090610132.db2.gz CDLNFJOROGKXMI-ZDUSSCGKSA-N 1 0 308.495 3.324 50 0 DGAARO C[NH+]1CCC(CNc2ncc(Cl)cn2)(c2ccccc2)CC1 ZINC000823759638 1091698217 /nfs/dbraw/zinc/69/82/17/1091698217.db2.gz ZJVBRTXVNKPCNX-UHFFFAOYSA-N 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C[C@@H]1C[C@@H](CN2CCc3nc[nH]c3C23CCCCC3)CCO1 ZINC000952884329 1096787469 /nfs/dbraw/zinc/78/74/69/1096787469.db2.gz YDZKFDIVHAQHNP-CABCVRRESA-N 1 0 303.450 3.242 50 0 DGAARO c1ccc([C@@H](CNCc2cncnc2)[NH+]2CCCCCC2)cc1 ZINC000952960269 1096788441 /nfs/dbraw/zinc/78/84/41/1096788441.db2.gz VPPMGOOCTWDOMD-LJQANCHMSA-N 1 0 310.445 3.184 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c(F)cc1Cl ZINC000095506120 185375513 /nfs/dbraw/zinc/37/55/13/185375513.db2.gz MPRICOHNQRVUBU-NSHDSACASA-N 1 0 313.804 3.393 50 0 DGAARO Cc1ccc(-c2noc([C@@H](C)[N@H+](C)C3CCCCC3)n2)nn1 ZINC000095509256 185375718 /nfs/dbraw/zinc/37/57/18/185375718.db2.gz FJPZDTWLSLEVGE-GFCCVEGCSA-N 1 0 301.394 3.161 50 0 DGAARO CC[C@@H](C[NH2+]C1CCN(C(C)=O)CC1)Oc1ccccc1Cl ZINC000079014956 185146572 /nfs/dbraw/zinc/14/65/72/185146572.db2.gz NKLVBFJCENVEAX-HNNXBMFYSA-N 1 0 324.852 3.098 50 0 DGAARO Cc1ccc(/C=C\C(=O)NC[C@H](c2ccsc2)[NH+](C)C)o1 ZINC000096817103 185388661 /nfs/dbraw/zinc/38/86/61/185388661.db2.gz 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ZINC000095428445 185362395 /nfs/dbraw/zinc/36/23/95/185362395.db2.gz NFUDUVDGZSWFRK-CQSZACIVSA-N 1 0 300.368 3.277 50 0 DGAARO CC(C)(C)c1ncc(C[NH2+][C@]2(CO)CCc3ccccc32)s1 ZINC000095429779 185362592 /nfs/dbraw/zinc/36/25/92/185362592.db2.gz YDDVAZNJNVMOOY-SFHVURJKSA-N 1 0 316.470 3.364 50 0 DGAARO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCCSC(C)(C)C)CC[C@H]21 ZINC000095436249 185364922 /nfs/dbraw/zinc/36/49/22/185364922.db2.gz XMENLKXELBYEBF-HUUCEWRRSA-N 1 0 312.523 3.241 50 0 DGAARO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1nc2ccccc2n1C ZINC000095448909 185368421 /nfs/dbraw/zinc/36/84/21/185368421.db2.gz HSFGKEDTYJPKKN-SWLSCSKDSA-N 1 0 315.442 3.237 50 0 DGAARO CN1CC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095437473 185365572 /nfs/dbraw/zinc/36/55/72/185365572.db2.gz LELRQQNRHZALPD-SJORKVTESA-N 1 0 319.811 3.409 50 0 DGAARO COc1ccc(CN2CCC[N@@H+]([C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000095455300 185369752 /nfs/dbraw/zinc/36/97/52/185369752.db2.gz NJINLYLLAGYQDW-AEFFLSMTSA-N 1 0 302.462 3.392 50 0 DGAARO CC[C@@H](C)[N@H+](Cc1cccc(OCC(N)=O)c1)C1CCCC1 ZINC000063845738 432007417 /nfs/dbraw/zinc/00/74/17/432007417.db2.gz GPDZBQWIKPDQJF-CQSZACIVSA-N 1 0 304.434 3.094 50 0 DGAARO COc1cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc(Cl)c1OC ZINC000095457718 185370474 /nfs/dbraw/zinc/37/04/74/185370474.db2.gz STTWXGBGCLCVGD-RYUDHWBXSA-N 1 0 313.825 3.262 50 0 DGAARO CC(C)(C[NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000095460052 185370550 /nfs/dbraw/zinc/37/05/50/185370550.db2.gz RNKRTKVTHAQCHS-QGZVFWFLSA-N 1 0 310.445 3.013 50 0 DGAARO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CCO1 ZINC000095465776 185371782 /nfs/dbraw/zinc/37/17/82/185371782.db2.gz UMMZLNDEIITCOS-ZWKOTPCHSA-N 1 0 318.461 3.120 50 0 DGAARO Cc1ccc2ncn(CC[C@@H]3CCCC[N@H+]3C(C)C)c(=O)c2c1 ZINC000063883048 432007642 /nfs/dbraw/zinc/00/76/42/432007642.db2.gz MMHFUJZOGCIZCE-INIZCTEOSA-N 1 0 313.445 3.358 50 0 DGAARO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000097017196 185397664 /nfs/dbraw/zinc/39/76/64/185397664.db2.gz 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CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000083967333 192393516 /nfs/dbraw/zinc/39/35/16/192393516.db2.gz CXZJCADNECNSQN-ZBFHGGJFSA-N 1 0 312.523 3.289 50 0 DGAARO Cc1cc(C2CCC2)nc(NCCC23CCC[NH+]2CCC3)n1 ZINC000071712180 191011208 /nfs/dbraw/zinc/01/12/08/191011208.db2.gz JVNYTRUKVCBZBW-UHFFFAOYSA-N 1 0 300.450 3.483 50 0 DGAARO COc1cc2c(cc1-c1nccn1CC[NH+]1CCCC1)CCC2 ZINC000071738607 191019158 /nfs/dbraw/zinc/01/91/58/191019158.db2.gz JQWABOXFGCEEQB-UHFFFAOYSA-N 1 0 311.429 3.143 50 0 DGAARO OCc1ccnc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)c1 ZINC000071751681 191023108 /nfs/dbraw/zinc/02/31/08/191023108.db2.gz WDCWUTHTTOLPTD-QGZVFWFLSA-N 1 0 312.413 3.021 50 0 DGAARO CC[NH+](CC)CCCNc1cc[n+]([O-])c2cc(Cl)ccc12 ZINC000071767188 191028555 /nfs/dbraw/zinc/02/85/55/191028555.db2.gz GXZKDTCIPHRCRW-UHFFFAOYSA-N 1 0 307.825 3.270 50 0 DGAARO COc1ccnc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c1 ZINC000071767679 191028606 /nfs/dbraw/zinc/02/86/06/191028606.db2.gz DNMXBLIBYVRSSD-IBGZPJMESA-N 1 0 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1 0 317.477 3.056 50 0 DGAARO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000215706941 201468428 /nfs/dbraw/zinc/46/84/28/201468428.db2.gz NUFKQMUVOPPUGY-LLVKDONJSA-N 1 0 314.351 3.272 50 0 DGAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000092149117 193167625 /nfs/dbraw/zinc/16/76/25/193167625.db2.gz FHOMBHUBKQSQPQ-UHFFFAOYSA-N 1 0 320.483 3.466 50 0 DGAARO O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000252483076 202841420 /nfs/dbraw/zinc/84/14/20/202841420.db2.gz DUHVLMOZQWKPIT-UHFFFAOYSA-N 1 0 310.800 3.085 50 0 DGAARO [NH3+][C@H]1C[C@H](c2cc(NCc3cccc(Cl)c3F)ncn2)C1 ZINC000252536589 202862836 /nfs/dbraw/zinc/86/28/36/202862836.db2.gz IXSAGDHESJIGGP-XYPYZODXSA-N 1 0 306.772 3.086 50 0 DGAARO Cc1cc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000253429728 202887033 /nfs/dbraw/zinc/88/70/33/202887033.db2.gz IDZCRWBLIXYDHZ-SFHVURJKSA-N 1 0 300.377 3.479 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccc(Cl)cc2[nH]1 ZINC000089780912 284061523 /nfs/dbraw/zinc/06/15/23/284061523.db2.gz KXGIZQGQNHQYEE-CZUORRHYSA-N 1 0 317.820 3.178 50 0 DGAARO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000261987010 203168707 /nfs/dbraw/zinc/16/87/07/203168707.db2.gz XLNLDLJBTYSZLP-FRFSOERESA-N 1 0 316.420 3.125 50 0 DGAARO COc1cc(C[NH+]2C[C@H]3CC=CC[C@@H]3C2)cc(OC)c1OC ZINC000093590724 193271634 /nfs/dbraw/zinc/27/16/34/193271634.db2.gz KAXIULCRKAVSNB-HUUCEWRRSA-N 1 0 303.402 3.110 50 0 DGAARO NC(=O)C[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000093808580 193309660 /nfs/dbraw/zinc/30/96/60/193309660.db2.gz WCZMAMGDVRGVNP-MRXNPFEDSA-N 1 0 316.445 3.095 50 0 DGAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)o1 ZINC000093865772 193320622 /nfs/dbraw/zinc/32/06/22/193320622.db2.gz WLQBNIWMLYDDQV-MRXNPFEDSA-N 1 0 324.384 3.026 50 0 DGAARO CCn1cnnc1C[NH2+][C@@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000095967314 193464709 /nfs/dbraw/zinc/46/47/09/193464709.db2.gz LTVMUKGKBRWXSA-IILDEKEXSA-N 1 0 302.466 3.383 50 0 DGAARO CCS[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC000095990117 193480549 /nfs/dbraw/zinc/48/05/49/193480549.db2.gz YIZKPLWZCDNGCI-JKSUJKDBSA-N 1 0 316.474 3.246 50 0 DGAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCC(C)C)cc1 ZINC000014878788 181973833 /nfs/dbraw/zinc/97/38/33/181973833.db2.gz ZCWXHLJXSNMNAU-QGZVFWFLSA-N 1 0 318.461 3.212 50 0 DGAARO CC[C@@H](Oc1ccccc1C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016602954 182051927 /nfs/dbraw/zinc/05/19/27/182051927.db2.gz JNVRWZSVCZEILE-QGZVFWFLSA-N 1 0 318.461 3.141 50 0 DGAARO COc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000018174837 182096438 /nfs/dbraw/zinc/09/64/38/182096438.db2.gz ZDCDOTXVHSIRLX-UHFFFAOYSA-N 1 0 313.401 3.079 50 0 DGAARO CC(C)[C@H]1C[C@](CC[NH+]2CCOCC2)(c2ccccc2)CCO1 ZINC000019285853 182111424 /nfs/dbraw/zinc/11/14/24/182111424.db2.gz MUKCJNDMGIMBET-WOJBJXKFSA-N 1 0 317.473 3.482 50 0 DGAARO c1[nH]c2ccccc2c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019372196 182119993 /nfs/dbraw/zinc/11/99/93/182119993.db2.gz YHZKIEWEQQRAHY-UHFFFAOYSA-N 1 0 305.425 3.486 50 0 biogenic DGAARO COc1cccc(CC[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000019720370 182138167 /nfs/dbraw/zinc/13/81/67/182138167.db2.gz JJYWYYSPIZQNNN-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO COc1cc(OC)cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019608357 182133648 /nfs/dbraw/zinc/13/36/48/182133648.db2.gz DCNKZXPWASLNNH-SFHVURJKSA-N 1 0 308.381 3.420 50 0 DGAARO OCC[C@H]1C[N@@H+](C2CCCCCC2)CCN1Cc1cccs1 ZINC000019745902 182141947 /nfs/dbraw/zinc/14/19/47/182141947.db2.gz NPUDXMLTUITHIF-KRWDZBQOSA-N 1 0 322.518 3.340 50 0 DGAARO Cc1ccc(-n2cccn2)c(C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000019743663 182141982 /nfs/dbraw/zinc/14/19/82/182141982.db2.gz HVJXGHJRUVXNOY-GOSISDBHSA-N 1 0 319.408 3.274 50 0 DGAARO Clc1ccc(Cl)c(OCCCC[NH+]2CCOCC2)c1 ZINC000019770614 182145249 /nfs/dbraw/zinc/14/52/49/182145249.db2.gz XIHQAZQOPLAFIA-UHFFFAOYSA-N 1 0 304.217 3.485 50 0 DGAARO COc1cccc(CN2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000019781770 182147827 /nfs/dbraw/zinc/14/78/27/182147827.db2.gz VLGMAJVXHZLSCW-UHFFFAOYSA-N 1 0 310.441 3.321 50 0 DGAARO O[C@@H](C[NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000019872086 182159295 /nfs/dbraw/zinc/15/92/95/182159295.db2.gz GEBVOHRPXOMGGY-HNNXBMFYSA-N 1 0 306.203 3.272 50 0 DGAARO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000020102834 182186848 /nfs/dbraw/zinc/18/68/48/182186848.db2.gz OLGGDWASURQNBG-UHFFFAOYSA-N 1 0 306.837 3.174 50 0 DGAARO C[NH+]1CCN(CCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000020118467 182188985 /nfs/dbraw/zinc/18/89/85/182188985.db2.gz MBKRIQBFHQFWSH-UHFFFAOYSA-N 1 0 303.233 3.010 50 0 DGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000020455157 182219185 /nfs/dbraw/zinc/21/91/85/182219185.db2.gz MJXVYXBBSRIXGQ-ZDUSSCGKSA-N 1 0 305.324 3.067 50 0 DGAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(O)c1)[NH2+]CC2 ZINC000020506900 182225929 /nfs/dbraw/zinc/22/59/29/182225929.db2.gz BXKODDFQFQFCLQ-IBGZPJMESA-N 1 0 313.397 3.425 50 0 DGAARO OCC[C@@H]1C[N@H+](CC2CCCCC2)CCN1Cc1cccs1 ZINC000020918253 182253723 /nfs/dbraw/zinc/25/37/23/182253723.db2.gz NYYMKLCDRXYNCF-QGZVFWFLSA-N 1 0 322.518 3.197 50 0 DGAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000020908931 182253852 /nfs/dbraw/zinc/25/38/52/182253852.db2.gz BTXKGYDITJQTDY-CQSZACIVSA-N 1 0 306.431 3.448 50 0 DGAARO Cc1cc(C[NH+]2CCC(Cc3ccccc3F)CC2)n(C)n1 ZINC000020780036 182246786 /nfs/dbraw/zinc/24/67/86/182246786.db2.gz RTLDGAVMGHOBTL-UHFFFAOYSA-N 1 0 301.409 3.322 50 0 DGAARO OCC1(CCc2ccccc2)CC[NH+]([C@H]2CCSC2)CC1 ZINC000020779446 182246837 /nfs/dbraw/zinc/24/68/37/182246837.db2.gz ZHAPIPJVFHRRMQ-KRWDZBQOSA-N 1 0 305.487 3.199 50 0 DGAARO CC(C)(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ncc[nH]1 ZINC000493872336 246089688 /nfs/dbraw/zinc/08/96/88/246089688.db2.gz RSWNNMLWHNXNCQ-VMPITWQZSA-N 1 0 323.318 3.493 50 0 DGAARO CC1CCC2(CC1)NCC[NH+]=C2NCc1ccc(Cl)cc1 ZINC000021883574 182296279 /nfs/dbraw/zinc/29/62/79/182296279.db2.gz LRNFIHJUVCHSFT-UHFFFAOYSA-N 1 0 305.853 3.380 50 0 biogenic DGAARO CC[NH+](CC)CCCNC(=O)c1c(C)noc1-c1cccs1 ZINC000022334205 182318952 /nfs/dbraw/zinc/31/89/52/182318952.db2.gz UKGZVYLQPPMYIT-UHFFFAOYSA-N 1 0 321.446 3.173 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccoc1)c1cccc(OC)c1 ZINC000023076420 182346704 /nfs/dbraw/zinc/34/67/04/182346704.db2.gz ZTHADPXTQIYDML-KRWDZBQOSA-N 1 0 316.401 3.101 50 0 DGAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2nccs2)C1 ZINC000023360226 182358532 /nfs/dbraw/zinc/35/85/32/182358532.db2.gz XBVHWMHAODLKLJ-QGZVFWFLSA-N 1 0 315.486 3.282 50 0 DGAARO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000135351752 284472540 /nfs/dbraw/zinc/47/25/40/284472540.db2.gz TZGUJCRWMUILHO-LJQANCHMSA-N 1 0 323.440 3.305 50 0 DGAARO CC(C)(C)OC(=O)N1CCC(OCc2ccc(C[NH3+])cc2)CC1 ZINC000034936263 182745294 /nfs/dbraw/zinc/74/52/94/182745294.db2.gz NZWAUTDCSSMVGG-UHFFFAOYSA-N 1 0 320.433 3.061 50 0 DGAARO C[NH+]1CCC(CNC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000038489544 183000242 /nfs/dbraw/zinc/00/02/42/183000242.db2.gz VSGOXUPHYGXZSO-UHFFFAOYSA-N 1 0 303.450 3.447 50 0 DGAARO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000040007541 183027392 /nfs/dbraw/zinc/02/73/92/183027392.db2.gz LEUHXAYTWNNPRS-BBRMVZONSA-N 1 0 321.442 3.228 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1O)c1ccsc1 ZINC000040070897 183030470 /nfs/dbraw/zinc/03/04/70/183030470.db2.gz PIOAYBJDIDMESF-ZDUSSCGKSA-N 1 0 324.833 3.140 50 0 DGAARO COc1cccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000040059775 183030677 /nfs/dbraw/zinc/03/06/77/183030677.db2.gz TYHMFKLIVAETKJ-UHFFFAOYSA-N 1 0 316.445 3.033 50 0 DGAARO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040160688 183041188 /nfs/dbraw/zinc/04/11/88/183041188.db2.gz KNWMAPIIJQGHQR-KBPBESRZSA-N 1 0 317.351 3.009 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000040107594 183036159 /nfs/dbraw/zinc/03/61/59/183036159.db2.gz AIZIHTVOFCCXMT-RYUDHWBXSA-N 1 0 312.816 3.187 50 0 DGAARO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000040107515 183036264 /nfs/dbraw/zinc/03/62/64/183036264.db2.gz WGEWOLYCUKECIA-UHFFFAOYSA-N 1 0 324.852 3.100 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000040107582 183036546 /nfs/dbraw/zinc/03/65/46/183036546.db2.gz FKKIBBQBJJJFON-RYUDHWBXSA-N 1 0 312.816 3.187 50 0 DGAARO Cc1ccsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040459679 183069805 /nfs/dbraw/zinc/06/98/05/183069805.db2.gz BJMZYBMQENEULA-UHFFFAOYSA-N 1 0 314.454 3.451 50 0 DGAARO Fc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042773541 183306828 /nfs/dbraw/zinc/30/68/28/183306828.db2.gz VKAGKRSEONFEMQ-NSHDSACASA-N 1 0 302.187 3.499 50 0 DGAARO CC(C)[NH+]1CCC(N(C)C(=O)CSc2ccccc2)CC1 ZINC000043114875 183339118 /nfs/dbraw/zinc/33/91/18/183339118.db2.gz CMUKAMPXRJNXKA-UHFFFAOYSA-N 1 0 306.475 3.110 50 0 DGAARO C[C@@H](CNC(=O)c1cc2ccccc2o1)[N@@H+]1CCCC[C@@H]1C ZINC000043084657 183334867 /nfs/dbraw/zinc/33/48/67/183334867.db2.gz ZUGQEPOSIZPEGS-KBPBESRZSA-N 1 0 300.402 3.426 50 0 DGAARO C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCCOC1 ZINC000104352629 194001056 /nfs/dbraw/zinc/00/10/56/194001056.db2.gz HBBQDRGBMXQQBR-JTQLQIEISA-N 1 0 304.253 3.369 50 0 DGAARO CC(C)(C)C[N@@H+]1CCN(C/C=C/c2ccccc2)C[C@H]1CCO ZINC000105272389 194090348 /nfs/dbraw/zinc/09/03/48/194090348.db2.gz MQJLKFHWELRIHH-QPGLYAHGSA-N 1 0 316.489 3.115 50 0 DGAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2sccc21 ZINC000106139189 194187504 /nfs/dbraw/zinc/18/75/04/194187504.db2.gz WGOXKOHSIWMOAW-XQQFMLRXSA-N 1 0 304.463 3.470 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc(OC)ccc2c1 ZINC000049590114 183744561 /nfs/dbraw/zinc/74/45/61/183744561.db2.gz OEZBZZHOCXKRBD-QGZVFWFLSA-N 1 0 312.413 3.063 50 0 DGAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)COC2CCCC2)cc1 ZINC000054119289 183925201 /nfs/dbraw/zinc/92/52/01/183925201.db2.gz HZRAYLGKCAMSED-UHFFFAOYSA-N 1 0 318.461 3.102 50 0 DGAARO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)oc2c1c(C)ccc2C ZINC000056388541 184011983 /nfs/dbraw/zinc/01/19/83/184011983.db2.gz ANLOJKGLNSYNFZ-UHFFFAOYSA-N 1 0 302.418 3.428 50 0 DGAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)no1 ZINC000057273632 184031512 /nfs/dbraw/zinc/03/15/12/184031512.db2.gz KOTLYXJYOIZHCI-INIZCTEOSA-N 1 0 305.353 3.048 50 0 DGAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000057332201 184033243 /nfs/dbraw/zinc/03/32/43/184033243.db2.gz QBSYWXADMGNWKN-UHFFFAOYSA-N 1 0 309.365 3.439 50 0 DGAARO C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058161080 184082869 /nfs/dbraw/zinc/08/28/69/184082869.db2.gz KRCQTGZVZPLBRQ-NEPJUHHUSA-N 1 0 324.877 3.174 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000058179036 184084832 /nfs/dbraw/zinc/08/48/32/184084832.db2.gz FSTNSPWOBADSCN-UHFFFAOYSA-N 1 0 318.436 3.487 50 0 DGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000058193225 184086473 /nfs/dbraw/zinc/08/64/73/184086473.db2.gz RGQKLYKPHXWULL-HNNXBMFYSA-N 1 0 314.454 3.390 50 0 DGAARO c1cc(C2CC[NH+](CCCc3nc4ccccc4o3)CC2)n[nH]1 ZINC000058208452 184088195 /nfs/dbraw/zinc/08/81/95/184088195.db2.gz ZHWHLDYNVVZAQA-UHFFFAOYSA-N 1 0 310.401 3.363 50 0 DGAARO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000058264632 184096084 /nfs/dbraw/zinc/09/60/84/184096084.db2.gz HIMOYBIFLOMJKH-WMZOPIPTSA-N 1 0 302.462 3.417 50 0 DGAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCc1ccccc1 ZINC000058315546 184104832 /nfs/dbraw/zinc/10/48/32/184104832.db2.gz NVDRVFHHVYNKQB-CQSZACIVSA-N 1 0 307.397 3.159 50 0 DGAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@H](c1ccco1)c1ccccc1)CN2 ZINC000058331365 184106936 /nfs/dbraw/zinc/10/69/36/184106936.db2.gz PNFSYFXDZPHHJL-KXBFYZLASA-N 1 0 322.412 3.205 50 0 DGAARO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC000060395436 184148496 /nfs/dbraw/zinc/14/84/96/184148496.db2.gz QDJHCYSRLWTKJO-UHFFFAOYSA-N 1 0 320.502 3.429 50 0 DGAARO CC[N@@H+]1CCC[C@@H](Nc2nc(C)nc3sc4c(c32)CCC4)C1 ZINC000060452645 184149721 /nfs/dbraw/zinc/14/97/21/184149721.db2.gz YYJQMFPXGJKJEC-GFCCVEGCSA-N 1 0 316.474 3.385 50 0 DGAARO O=C(C[NH2+]Cc1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000061865952 184190462 /nfs/dbraw/zinc/19/04/62/184190462.db2.gz UYSNOHWVRDVDLV-UHFFFAOYSA-N 1 0 314.816 3.015 50 0 DGAARO O=C(NCCC[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000061547412 184174843 /nfs/dbraw/zinc/17/48/43/184174843.db2.gz QNFIBZRLQPIDPW-UHFFFAOYSA-N 1 0 301.217 3.209 50 0 DGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC=CCC1 ZINC000062231046 184224155 /nfs/dbraw/zinc/22/41/55/184224155.db2.gz TUADSHGSRJLZLJ-RBUKOAKNSA-N 1 0 312.457 3.371 50 0 DGAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000065387747 184333733 /nfs/dbraw/zinc/33/37/33/184333733.db2.gz RSLDKZWZQTUDST-XEYRCQSKSA-N 1 0 312.457 3.424 50 0 DGAARO Cn1cccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286839 184322021 /nfs/dbraw/zinc/32/20/21/184322021.db2.gz DGIVACMDTRNRRK-INIZCTEOSA-N 1 0 321.428 3.190 50 0 DGAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000065288596 184323529 /nfs/dbraw/zinc/32/35/29/184323529.db2.gz UQWQONBEZWCJMI-GOSISDBHSA-N 1 0 300.377 3.166 50 0 DGAARO CN(C)c1ccc(NC(=O)CC[NH2+]C2CCCCCC2)cc1 ZINC000065376461 184331641 /nfs/dbraw/zinc/33/16/41/184331641.db2.gz FKCWPUWGJRTPSK-UHFFFAOYSA-N 1 0 303.450 3.394 50 0 DGAARO Cc1ccsc1C[N@@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000065456808 184347750 /nfs/dbraw/zinc/34/77/50/184347750.db2.gz UJTBIABGYRNXGR-HNNXBMFYSA-N 1 0 306.475 3.424 50 0 DGAARO CC(=O)NCC1=CCC[N@H+](CCc2cccc3ccccc32)C1 ZINC000065493721 184354085 /nfs/dbraw/zinc/35/40/85/184354085.db2.gz POZQDQBGSQPDRK-UHFFFAOYSA-N 1 0 308.425 3.151 50 0 DGAARO C[C@@H](CCc1ccccc1)[NH2+]CCc1nc(-c2cccnc2)n[nH]1 ZINC000065405168 184338157 /nfs/dbraw/zinc/33/81/57/184338157.db2.gz DCWSJVRKSDOCEG-HNNXBMFYSA-N 1 0 321.428 3.020 50 0 DGAARO Cc1ccccc1NC(=O)CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119755117 195031060 /nfs/dbraw/zinc/03/10/60/195031060.db2.gz LNEWRXQYNSEJAS-HNNXBMFYSA-N 1 0 304.434 3.259 50 0 DGAARO O[C@@H](C[NH2+]C1CCCC1)COCC12CC3CC(CC(C3)C1)C2 ZINC000005188583 285304708 /nfs/dbraw/zinc/30/47/08/285304708.db2.gz XRIXXQPMSKSNJD-ZJIILYSQSA-N 1 0 307.478 3.113 50 0 DGAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3F)CC2)C1 ZINC000216475060 257273292 /nfs/dbraw/zinc/27/32/92/257273292.db2.gz HVZZGVCKCSWZFD-SJORKVTESA-N 1 0 318.436 3.124 50 0 DGAARO Cc1noc(C)c1CNC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000222571757 257274503 /nfs/dbraw/zinc/27/45/03/257274503.db2.gz IWQLCCXMWGECQC-UHFFFAOYSA-N 1 0 319.449 3.096 50 0 DGAARO CC[N@@H+](Cc1cnn(-c2ccc(C)c(C)c2)c1)C[C@@H]1CCCO1 ZINC000222570412 257274579 /nfs/dbraw/zinc/27/45/79/257274579.db2.gz RDBATTPPTNLJGF-IBGZPJMESA-N 1 0 313.445 3.490 50 0 DGAARO Cc1nc(C)c(Br)c(N[C@@H](CO)c2ccccc2)n1 ZINC000322990613 257237088 /nfs/dbraw/zinc/23/70/88/257237088.db2.gz YUEIEYSVAFVRBN-LBPRGKRZSA-N 1 0 322.206 3.001 50 0 DGAARO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)c2c1 ZINC000237489599 257238375 /nfs/dbraw/zinc/23/83/75/257238375.db2.gz ZUYSMXNBROHSBM-HIFRSBDPSA-N 1 0 323.440 3.372 50 0 DGAARO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237459621 257239608 /nfs/dbraw/zinc/23/96/08/257239608.db2.gz 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CCc1nnc2n1C[C@H](C[NH2+]C/C(C)=C\c1ccccc1)CC2 ZINC000097301500 400284510 /nfs/dbraw/zinc/28/45/10/400284510.db2.gz LCJUSLDLOKKUNY-HKBKRHGFSA-N 1 0 310.445 3.096 50 0 DGAARO Cn1ccnc1C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372119 400284735 /nfs/dbraw/zinc/28/47/35/400284735.db2.gz JPTCXEGUKDRYAT-ZDUSSCGKSA-N 1 0 309.335 3.428 50 0 DGAARO C[C@@H]1CN(c2nccnc2F)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404305499 400295494 /nfs/dbraw/zinc/29/54/94/400295494.db2.gz HSZGCGJVCXSEOP-RBSFLKMASA-N 1 0 314.408 3.103 50 0 DGAARO CC(C)[N@@H+]1C[C@H](CNC(=O)c2ccccn2)C2(C1)CCCCC2 ZINC000409419708 400301201 /nfs/dbraw/zinc/30/12/01/400301201.db2.gz ZLOGPQQXTGNHGG-INIZCTEOSA-N 1 0 315.461 3.102 50 0 DGAARO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875488 400372072 /nfs/dbraw/zinc/37/20/72/400372072.db2.gz GTMMFPIUXVGZPY-GOEBONIOSA-N 1 0 323.400 3.159 50 0 DGAARO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c(C)n1C1CC1 ZINC000072234484 400376124 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C[C@@H](c1ccccc1Br)[N@H+](C)CCC1OCCO1 ZINC000123973032 400473375 /nfs/dbraw/zinc/47/33/75/400473375.db2.gz OOKZXVCZGKPRHJ-NSHDSACASA-N 1 0 314.223 3.205 50 0 DGAARO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@H]2C)c1C ZINC000076057627 400630571 /nfs/dbraw/zinc/63/05/71/400630571.db2.gz OYPCQRXTAUCZHO-QAPCUYQASA-N 1 0 302.462 3.286 50 0 DGAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCOc2cccnc2)cc1 ZINC000169042098 400758295 /nfs/dbraw/zinc/75/82/95/400758295.db2.gz UMOIHDULERYXEF-OAHLLOKOSA-N 1 0 322.412 3.305 50 0 DGAARO CCCN(C)C(=O)c1c(C)oc2c1C[N@H+](CCC(C)C)CC2 ZINC000169752018 400759567 /nfs/dbraw/zinc/75/95/67/400759567.db2.gz RQQZTFBEACRNGD-UHFFFAOYSA-N 1 0 306.450 3.474 50 0 DGAARO CCC(CC)[NH+]1CC(Oc2cccc(C(=O)NCC3CC3)c2)C1 ZINC000169773240 400760255 /nfs/dbraw/zinc/76/02/55/400760255.db2.gz BOZJRQIDZCAFMA-UHFFFAOYSA-N 1 0 316.445 3.078 50 0 DGAARO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000170642696 400768126 /nfs/dbraw/zinc/76/81/26/400768126.db2.gz QSYLDVOCPYXICR-LSDHHAIUSA-N 1 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c1ccc2c(c1)oc1c2ncnc1NC1CC[NH+](C2CC2)CC1 ZINC000022137963 275071780 /nfs/dbraw/zinc/07/17/80/275071780.db2.gz YUZLJYOMGRUUJM-UHFFFAOYSA-N 1 0 308.385 3.415 50 0 DGAARO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1cccnc1 ZINC000095466672 275701111 /nfs/dbraw/zinc/70/11/11/275701111.db2.gz LCBNBESFVWZGBI-KRWDZBQOSA-N 1 0 315.392 3.016 50 0 DGAARO CC(C)n1ccc2ccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)cc21 ZINC000095476624 275785797 /nfs/dbraw/zinc/78/57/97/275785797.db2.gz OSDKPUFISMGXGJ-QGZVFWFLSA-N 1 0 311.429 3.046 50 0 DGAARO CC(C)c1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000169781732 276048314 /nfs/dbraw/zinc/04/83/14/276048314.db2.gz ZJFUCIZBZHWTSS-SFHVURJKSA-N 1 0 300.446 3.272 50 0 DGAARO CC(C)c1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000169781731 276048458 /nfs/dbraw/zinc/04/84/58/276048458.db2.gz ZJFUCIZBZHWTSS-GOSISDBHSA-N 1 0 300.446 3.272 50 0 DGAARO CCN(CC)C(=O)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000225457180 276088873 /nfs/dbraw/zinc/08/88/73/276088873.db2.gz PQXCQLBBYYIACX-GOSISDBHSA-N 1 0 300.446 3.254 50 0 DGAARO C[NH+](C)C[C@H]1CSCC[C@]1(O)c1cccc(C(F)(F)F)c1 ZINC000001000512 276769993 /nfs/dbraw/zinc/76/99/93/276769993.db2.gz UFYNYMSMDPKIPS-KBPBESRZSA-N 1 0 319.392 3.208 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000008752874 276859820 /nfs/dbraw/zinc/85/98/20/276859820.db2.gz HUPPGRGUNSEHGK-MRXNPFEDSA-N 1 0 301.365 3.250 50 0 DGAARO CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C(C)C ZINC000035476078 277084359 /nfs/dbraw/zinc/08/43/59/277084359.db2.gz VYUNQUQOXHXNMO-UHFFFAOYSA-N 1 0 300.406 3.171 50 0 DGAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCc1ccc(OC)cc1 ZINC000106902048 277108003 /nfs/dbraw/zinc/10/80/03/277108003.db2.gz RDABJEJOYXEODW-NJAFHUGGSA-N 1 0 317.429 3.044 50 0 DGAARO CC(C)(C)[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000195530202 277226069 /nfs/dbraw/zinc/22/60/69/277226069.db2.gz VOHWKXDHOGYRFR-CVEARBPZSA-N 1 0 318.436 3.419 50 0 DGAARO C[NH2+]C[C@H]1CCCN1C(=O)c1oc2ccc(Cl)cc2c1C ZINC000237274858 277285383 /nfs/dbraw/zinc/28/53/83/277285383.db2.gz MYIBIHYPUWEDJZ-GFCCVEGCSA-N 1 0 306.793 3.219 50 0 DGAARO COc1c(C[NH2+][C@@H]2CCc3c2cccc3Cl)c(C)nn1C ZINC000058411954 277788232 /nfs/dbraw/zinc/78/82/32/277788232.db2.gz RPUVPKRIRFLKJW-OAHLLOKOSA-N 1 0 305.809 3.168 50 0 DGAARO CSCCc1c(-c2ccccc2)ncn1C1CC[NH2+]CC1 ZINC000065386688 278133190 /nfs/dbraw/zinc/13/31/90/278133190.db2.gz RTKIWJGFXKMNHU-UHFFFAOYSA-N 1 0 301.459 3.380 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000237552725 278230864 /nfs/dbraw/zinc/23/08/64/278230864.db2.gz RLPACONJFLXWEC-TVQRCGJNSA-N 1 0 318.314 3.186 50 0 DGAARO CC(=O)c1ccccc1-c1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000426421884 278252032 /nfs/dbraw/zinc/25/20/32/278252032.db2.gz NJGWGYDRFUPXQA-KRWDZBQOSA-N 1 0 322.408 3.120 50 0 DGAARO COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2 ZINC000000000751 431112124 /nfs/dbraw/zinc/11/21/24/431112124.db2.gz MKJIEFSOBYUXJB-GDBMZVCRSA-N 1 0 317.429 3.238 50 0 fda DGAARO CC[NH+](CC)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1 ZINC000000054513 431116886 /nfs/dbraw/zinc/11/68/86/431116886.db2.gz OECZDLNTQBDCMH-UHFFFAOYSA-N 1 0 318.461 3.096 50 0 DGAARO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000343880459 279034244 /nfs/dbraw/zinc/03/42/44/279034244.db2.gz QBMUJZROEADCQJ-NJZAAPMLSA-N 1 0 322.836 3.058 50 0 DGAARO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000096476811 279119811 /nfs/dbraw/zinc/11/98/11/279119811.db2.gz UCKITJSSOUWCIV-ZYHUDNBSSA-N 1 0 319.396 3.055 50 0 DGAARO CC(C)C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000096476804 279196156 /nfs/dbraw/zinc/19/61/56/279196156.db2.gz INFSKTHEUGYCAY-ZFWWWQNUSA-N 1 0 315.383 3.395 50 0 DGAARO CC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000069349368 431176285 /nfs/dbraw/zinc/17/62/85/431176285.db2.gz OGKZMSVMFILYEB-LBPRGKRZSA-N 1 0 314.351 3.321 50 0 DGAARO COc1cccc(C[NH2+][C@H](C)[C@H](C)n2cccn2)c1OC(C)C ZINC000069368905 431181276 /nfs/dbraw/zinc/18/12/76/431181276.db2.gz RCSSSUHYGBSBJY-CABCVRRESA-N 1 0 317.433 3.418 50 0 DGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 ZINC000000557296 431201740 /nfs/dbraw/zinc/20/17/40/431201740.db2.gz IJNDRIGXWNGJDB-UHFFFAOYSA-N 1 0 323.440 3.389 50 0 DGAARO C[C@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1cccnc1 ZINC000069485130 431188759 /nfs/dbraw/zinc/18/87/59/431188759.db2.gz TYKZFTYKSNWKDC-LBPRGKRZSA-N 1 0 314.414 3.477 50 0 DGAARO Cc1nc(C)c(-c2nnc(SC[C@H]3CCC[N@@H+](C)C3)o2)s1 ZINC000069484282 431188768 /nfs/dbraw/zinc/18/87/68/431188768.db2.gz CDBWXZFCWCBVER-NSHDSACASA-N 1 0 324.475 3.244 50 0 DGAARO Cc1cc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)on1 ZINC000069486078 431190482 /nfs/dbraw/zinc/19/04/82/431190482.db2.gz ARTGJKHZNRKYCI-ZDUSSCGKSA-N 1 0 316.405 3.234 50 0 DGAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1F ZINC000069490566 431191310 /nfs/dbraw/zinc/19/13/10/431191310.db2.gz BSEAVXXIVKTVCP-INIZCTEOSA-N 1 0 301.365 3.320 50 0 DGAARO c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000069491695 431193579 /nfs/dbraw/zinc/19/35/79/431193579.db2.gz WLYMTVPGTQDTAS-SFHVURJKSA-N 1 0 304.397 3.050 50 0 DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000069489422 431193696 /nfs/dbraw/zinc/19/36/96/431193696.db2.gz PWYNFXFDMHLXLO-DLBZAZTESA-N 1 0 323.444 3.176 50 0 DGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000069531726 431197041 /nfs/dbraw/zinc/19/70/41/431197041.db2.gz CJQDCANRCSOHSR-HZPDHXFCSA-N 1 0 309.417 3.117 50 0 DGAARO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c2ccccc2n1 ZINC000068935891 431149860 /nfs/dbraw/zinc/14/98/60/431149860.db2.gz NPZCXGCQWVMDAK-OAHLLOKOSA-N 1 0 311.429 3.003 50 0 DGAARO COc1cc(Cl)ccc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069697182 431212087 /nfs/dbraw/zinc/21/20/87/431212087.db2.gz RSAYYYLRMFCXQR-GJZGRUSLSA-N 1 0 322.836 3.047 50 0 DGAARO Cc1nnc([C@H](C)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000069698856 431214062 /nfs/dbraw/zinc/21/40/62/431214062.db2.gz ZROLJIHPUMLDMN-AWEZNQCLSA-N 1 0 314.433 3.035 50 0 DGAARO Cc1cc2ncn([C@H]3CC(=O)N(c4ccccc4)C3=O)c2cc1C ZINC000001441096 431225907 /nfs/dbraw/zinc/22/59/07/431225907.db2.gz HBKAPQOPQFMLMT-KRWDZBQOSA-N 1 0 319.364 3.158 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cccc3ccccc32)N1 ZINC000001408233 431226060 /nfs/dbraw/zinc/22/60/60/431226060.db2.gz QSKJRHOGEDXIMR-KRWDZBQOSA-N 1 0 313.364 3.286 50 0 DGAARO CCc1nnc2n1C[C@@H](C[NH2+]C/C(C)=C/c1ccccc1)CC2 ZINC000069869784 431227764 /nfs/dbraw/zinc/22/77/64/431227764.db2.gz LCJUSLDLOKKUNY-GSPCDJLXSA-N 1 0 310.445 3.096 50 0 DGAARO Cc1noc(C2CC[NH+](CCOC3CCCCCC3)CC2)n1 ZINC000069979024 431235672 /nfs/dbraw/zinc/23/56/72/431235672.db2.gz XOWZDCLBTGZBKW-UHFFFAOYSA-N 1 0 307.438 3.297 50 0 DGAARO C[C@@H]1CCc2sc3ncnc(NCCC[NH+](C)C)c3c2C1 ZINC000001813509 431239871 /nfs/dbraw/zinc/23/98/71/431239871.db2.gz MCONYWNHEPHVPK-LLVKDONJSA-N 1 0 304.463 3.180 50 0 DGAARO COCCC[NH2+]CCOCCOc1ccc(C(C)(C)C)cc1C ZINC000003001054 431277590 /nfs/dbraw/zinc/27/75/90/431277590.db2.gz HSYKGAKTBAVVGL-UHFFFAOYSA-N 1 0 323.477 3.314 50 0 DGAARO CC[N@@H+]1CCC[C@H](c2nccn2-c2cccc(-c3cc[nH]n3)c2)C1 ZINC000071422397 431278249 /nfs/dbraw/zinc/27/82/49/431278249.db2.gz GJUZAEGWPGLLNJ-INIZCTEOSA-N 1 0 321.428 3.462 50 0 DGAARO Cc1ccc(OCCOCC[NH2+]C(C)C)c(Br)c1 ZINC000003000991 431278713 /nfs/dbraw/zinc/27/87/13/431278713.db2.gz SCACDDZDERNNJQ-UHFFFAOYSA-N 1 0 316.239 3.151 50 0 DGAARO CC(C)[NH+]1CCC(NCc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000071776577 431287338 /nfs/dbraw/zinc/28/73/38/431287338.db2.gz UUAYDCQGVWQTFS-UHFFFAOYSA-N 1 0 306.841 3.179 50 0 DGAARO Cn1cc(CCC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 ZINC000071830485 431297047 /nfs/dbraw/zinc/29/70/47/431297047.db2.gz FWBWIFKUXVXCED-MRXNPFEDSA-N 1 0 324.428 3.374 50 0 DGAARO CCCCNC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000004016887 431297880 /nfs/dbraw/zinc/29/78/80/431297880.db2.gz VFXQBSPHOLZSOG-NVXWUHKLSA-N 1 0 301.434 3.112 50 0 biogenic DGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000004739883 431301548 /nfs/dbraw/zinc/30/15/48/431301548.db2.gz KWMDXXDXMIWETA-UHFFFAOYSA-N 1 0 315.442 3.142 50 0 DGAARO C[C@H](c1ccc(-c2ccc3c(c2)OCO3)cc1)[NH+]1CCOCC1 ZINC000067955503 279595204 /nfs/dbraw/zinc/59/52/04/279595204.db2.gz CSEUHJLNCILTGS-CQSZACIVSA-N 1 0 311.381 3.476 50 0 DGAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000071872161 431305503 /nfs/dbraw/zinc/30/55/03/431305503.db2.gz PLQHFPRKJUJMNV-GFCCVEGCSA-N 1 0 302.403 3.086 50 0 DGAARO CS[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000071915333 431315712 /nfs/dbraw/zinc/31/57/12/431315712.db2.gz QZBUGIORULXYAW-UXLLHSPISA-N 1 0 320.502 3.249 50 0 DGAARO Cc1nc2sc(-c3ccccc3)cc2c(N2CC[NH+](C)CC2)n1 ZINC000002624654 431260311 /nfs/dbraw/zinc/26/03/11/431260311.db2.gz RYIOABQQQQKPKS-UHFFFAOYSA-N 1 0 324.453 3.419 50 0 DGAARO Cc1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)ccc1F ZINC000112366501 431269121 /nfs/dbraw/zinc/26/91/21/431269121.db2.gz KOUBXGASZCGCSK-MRXNPFEDSA-N 1 0 316.351 3.168 50 0 DGAARO C[NH+](C)CCCNC(=S)Nc1cccc(Cl)c1Cl ZINC000002851549 431272682 /nfs/dbraw/zinc/27/26/82/431272682.db2.gz ZLRASGOBJUFHIT-UHFFFAOYSA-N 1 0 306.262 3.232 50 0 DGAARO O=C(/C=C/c1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002910456 431274587 /nfs/dbraw/zinc/27/45/87/431274587.db2.gz KVHVSNBSLHVJOV-CMDGGOBGSA-N 1 0 310.397 3.074 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Cl)cc1F ZINC000007941703 431371770 /nfs/dbraw/zinc/37/17/70/431371770.db2.gz CURPSZOUTOHYRC-UHFFFAOYSA-N 1 0 320.795 3.471 50 0 DGAARO C[NH+](C)CC(C)(C)CNC(=O)Cc1c(Cl)cccc1Cl ZINC000007406536 431345431 /nfs/dbraw/zinc/34/54/31/431345431.db2.gz RUEQKZLYTOYJMX-UHFFFAOYSA-N 1 0 317.260 3.240 50 0 DGAARO CN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCC1 ZINC000073494834 431372295 /nfs/dbraw/zinc/37/22/95/431372295.db2.gz JERWVLIUZHPMRC-CQSZACIVSA-N 1 0 307.463 3.079 50 0 DGAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccccc1 ZINC000008862638 431414874 /nfs/dbraw/zinc/41/48/74/431414874.db2.gz QCUGYSIKPIKFDL-MRXNPFEDSA-N 1 0 300.427 3.315 50 0 DGAARO CC[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000008275908 431389343 /nfs/dbraw/zinc/38/93/43/431389343.db2.gz DMTDVNHHYWDIHE-UHFFFAOYSA-N 1 0 318.424 3.439 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000008406230 431396968 /nfs/dbraw/zinc/39/69/68/431396968.db2.gz WCCLMYKJVOMUGS-UHFFFAOYSA-N 1 0 312.388 3.352 50 0 DGAARO Cc1ccc2[nH]c(C)c(C[N@@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008585864 431401451 /nfs/dbraw/zinc/40/14/51/431401451.db2.gz CUFBDKMQJLTYDI-UHFFFAOYSA-N 1 0 313.445 3.083 50 0 biogenic DGAARO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)C2CCC(C)CC2)c1 ZINC000008733864 431407492 /nfs/dbraw/zinc/40/74/92/431407492.db2.gz QXYGYBAHVAGNCX-UHFFFAOYSA-N 1 0 317.433 3.094 50 0 DGAARO Cc1ccc(OCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000008753001 431412324 /nfs/dbraw/zinc/41/23/24/431412324.db2.gz YHFONLKFIHBUBW-UHFFFAOYSA-N 1 0 311.425 3.449 50 0 DGAARO CCCCOCCN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000075094085 431451806 /nfs/dbraw/zinc/45/18/06/431451806.db2.gz AOQKHSPCMXRDTE-UHFFFAOYSA-N 1 0 306.450 3.299 50 0 DGAARO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000009996416 431454062 /nfs/dbraw/zinc/45/40/62/431454062.db2.gz MFSYPIBOWOIOLN-LLVKDONJSA-N 1 0 315.244 3.342 50 0 DGAARO C[C@@H]1CCC[N@H+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000010434613 431461601 /nfs/dbraw/zinc/46/16/01/431461601.db2.gz HYFKIRCASFBQCZ-ONBNRTMESA-N 1 0 307.478 3.065 50 0 DGAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](CCCC(F)(F)F)C2 ZINC000011699437 431479832 /nfs/dbraw/zinc/47/98/32/431479832.db2.gz CHYDNPPXKVNMFH-HNNXBMFYSA-N 1 0 318.383 3.053 50 0 DGAARO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000009416935 431434646 /nfs/dbraw/zinc/43/46/46/431434646.db2.gz HVELSRUWCHJXKN-LSDHHAIUSA-N 1 0 304.434 3.296 50 0 DGAARO COC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012575386 431517922 /nfs/dbraw/zinc/51/79/22/431517922.db2.gz TXKWOCPWGGBXMT-GFCCVEGCSA-N 1 0 321.808 3.248 50 0 DGAARO CC[N@@H+](Cc1ccncc1)CC1CCN(c2ccccn2)CC1 ZINC000076109001 431528298 /nfs/dbraw/zinc/52/82/98/431528298.db2.gz FSWONWYDFWMPDK-UHFFFAOYSA-N 1 0 310.445 3.215 50 0 DGAARO CSCCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2C)C1 ZINC000011841522 431485255 /nfs/dbraw/zinc/48/52/55/431485255.db2.gz LDLFODBIABLJAO-GOSISDBHSA-N 1 0 307.503 3.365 50 0 DGAARO O=C1CC[N@H+](C2CCCCC2)CCN1Cc1cccc(F)c1 ZINC000012218377 431496369 /nfs/dbraw/zinc/49/63/69/431496369.db2.gz DGCKWHCTWNJMAE-UHFFFAOYSA-N 1 0 304.409 3.193 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000012289057 431499419 /nfs/dbraw/zinc/49/94/19/431499419.db2.gz CLDPFFQOCOTUIH-HAAVTCDPSA-N 1 0 321.505 3.455 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)o1 ZINC000012385690 431505772 /nfs/dbraw/zinc/50/57/72/431505772.db2.gz MNPJVVDBAPMXRV-INIZCTEOSA-N 1 0 304.434 3.203 50 0 DGAARO CCc1ccc(C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)o1 ZINC000012443676 431510902 /nfs/dbraw/zinc/51/09/02/431510902.db2.gz FKUXMFLTEYJFFV-UHFFFAOYSA-N 1 0 318.461 3.457 50 0 DGAARO C[N@H+](Cc1ccccc1NC(=O)c1cnccn1)C1CCCCC1 ZINC000012893377 431533972 /nfs/dbraw/zinc/53/39/72/431533972.db2.gz LRKFBNIHJNTTKF-UHFFFAOYSA-N 1 0 324.428 3.493 50 0 DGAARO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000013145973 431550397 /nfs/dbraw/zinc/55/03/97/431550397.db2.gz IHEXZPUEZIYHOA-JPQUEUOBSA-N 1 0 319.445 3.200 50 0 DGAARO O=C(c1c(F)cccc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000013745275 431569791 /nfs/dbraw/zinc/56/97/91/431569791.db2.gz FOFLPZKCRONVAX-UHFFFAOYSA-N 1 0 308.372 3.055 50 0 DGAARO Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)[NH+]1CCN(C)CC1 ZINC000022459118 280185483 /nfs/dbraw/zinc/18/54/83/280185483.db2.gz KRNJRVDKYMRTOO-FQEVSTJZSA-N 1 0 320.440 3.208 50 0 DGAARO CSc1ccccc1C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000077504875 431601322 /nfs/dbraw/zinc/60/13/22/431601322.db2.gz WYGGXUOFZHTQMI-UHFFFAOYSA-N 1 0 318.486 3.243 50 0 DGAARO OC[C@@H]1COCC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000077519996 431604293 /nfs/dbraw/zinc/60/42/93/431604293.db2.gz ROTYECDOFZMMDH-CQSZACIVSA-N 1 0 311.381 3.027 50 0 DGAARO O=C(C[NH+]1CCCCCC1)Nc1ccccc1N1CCCC1 ZINC000014094991 431580054 /nfs/dbraw/zinc/58/00/54/431580054.db2.gz UZVVVFOARVFCJT-UHFFFAOYSA-N 1 0 301.434 3.101 50 0 DGAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000077321192 431583134 /nfs/dbraw/zinc/58/31/34/431583134.db2.gz FIFQDEKFVKAGSE-MRXNPFEDSA-N 1 0 312.816 3.360 50 0 DGAARO C[C@H]1CCCC[N@@H+]1C1CN(c2ccc(-c3ccccc3)nn2)C1 ZINC000077358006 431587393 /nfs/dbraw/zinc/58/73/93/431587393.db2.gz LSCVOYNFBIRFIT-HNNXBMFYSA-N 1 0 308.429 3.207 50 0 DGAARO O[C@@]12CCCC[C@@H]1[C@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000001819142 280437972 /nfs/dbraw/zinc/43/79/72/280437972.db2.gz VQLPEFMVRAUFFW-QLFBSQMISA-N 1 0 310.235 3.405 50 0 biogenic DGAARO Cc1oc(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000025380612 431654032 /nfs/dbraw/zinc/65/40/32/431654032.db2.gz XCMCMHSGOXXFDT-INIZCTEOSA-N 1 0 300.402 3.238 50 0 DGAARO COc1ccc(CN2CCC([C@@H](C)[NH+](C)C)CC2)c(F)c1F ZINC000077537411 431605623 /nfs/dbraw/zinc/60/56/23/431605623.db2.gz NGYAWJRYPGRZRZ-GFCCVEGCSA-N 1 0 312.404 3.136 50 0 DGAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000016074827 431608582 /nfs/dbraw/zinc/60/85/82/431608582.db2.gz AKGPYHXWYUAVIS-QAPCUYQASA-N 1 0 323.481 3.059 50 0 DGAARO Cc1ccc(N2CCN(CC[NH+]3CCCCCC3)[C@@H](C)C2)cc1 ZINC000019850392 431618208 /nfs/dbraw/zinc/61/82/08/431618208.db2.gz JFCPRFGTZARECG-IBGZPJMESA-N 1 0 315.505 3.382 50 0 DGAARO COc1ccc(-c2noc(CN(C)Cc3ccc(C)o3)n2)cc1 ZINC000020600469 431625629 /nfs/dbraw/zinc/62/56/29/431625629.db2.gz QPIJYKIUYVJZJU-UHFFFAOYSA-N 1 0 313.357 3.279 50 0 DGAARO C[NH+](C)CCNc1nc2ccc(Br)cc2s1 ZINC000026423993 431675153 /nfs/dbraw/zinc/67/51/53/431675153.db2.gz DDJWFSMFJWWKFN-UHFFFAOYSA-N 1 0 300.225 3.032 50 0 DGAARO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000026714739 431677642 /nfs/dbraw/zinc/67/76/42/431677642.db2.gz BTBDSUYHJYCNJB-SUMWQHHRSA-N 1 0 301.386 3.088 50 0 DGAARO c1nn(Cc2ccccc2)c2c1[C@@H]([NH2+]Cc1ccccn1)CCC2 ZINC000027223085 431685838 /nfs/dbraw/zinc/68/58/38/431685838.db2.gz ZADIEEAIDSVPKB-IBGZPJMESA-N 1 0 318.424 3.494 50 0 DGAARO C[N@H+](Cc1cc(=O)n2ccccc2n1)[C@H]1CCCc2ccccc21 ZINC000027906420 431696864 /nfs/dbraw/zinc/69/68/64/431696864.db2.gz DMZBMWUFDRSGIQ-SFHVURJKSA-N 1 0 319.408 3.204 50 0 DGAARO O=C(NCC1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031664586 431763532 /nfs/dbraw/zinc/76/35/32/431763532.db2.gz XDDGSZVFSINVAE-UHFFFAOYSA-N 1 0 315.461 3.140 50 0 DGAARO Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000032754912 431790679 /nfs/dbraw/zinc/79/06/79/431790679.db2.gz ITAPBKSTGZTOEV-UHFFFAOYSA-N 1 0 317.477 3.449 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CCSc1nccc(C(F)(F)F)n1 ZINC000032903557 431798914 /nfs/dbraw/zinc/79/89/14/431798914.db2.gz NYWGOPNGTHEIPN-SNVBAGLBSA-N 1 0 305.369 3.462 50 0 DGAARO Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032912075 431799050 /nfs/dbraw/zinc/79/90/50/431799050.db2.gz LJFFNYFYZPQURZ-HXUWFJFHSA-N 1 0 322.452 3.318 50 0 DGAARO CC(C)C[C@@H](CNC(=O)Nc1ccccc1F)[NH+]1CCCC1 ZINC000032909534 431799183 /nfs/dbraw/zinc/79/91/83/431799183.db2.gz YAHWIXMIBOAKGH-AWEZNQCLSA-N 1 0 307.413 3.458 50 0 DGAARO CC[N@@H+]1CCC[C@@H](OC(=O)c2cccc(Br)c2)C1 ZINC000032962584 431803510 /nfs/dbraw/zinc/80/35/10/431803510.db2.gz HPSATHBPXLFCNB-CYBMUJFWSA-N 1 0 312.207 3.090 50 0 DGAARO CC[N@@H+]1CCC[C@@H](OC(=O)c2ccccc2Br)C1 ZINC000032962578 431804703 /nfs/dbraw/zinc/80/47/03/431804703.db2.gz GFDMNBUOKYWOJB-LLVKDONJSA-N 1 0 312.207 3.090 50 0 DGAARO CC(=O)c1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000033128904 431807380 /nfs/dbraw/zinc/80/73/80/431807380.db2.gz KRLBMCOYUFZUQF-UHFFFAOYSA-N 1 0 323.396 3.139 50 0 DGAARO CC(=O)c1cccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000033128957 431807638 /nfs/dbraw/zinc/80/76/38/431807638.db2.gz OLCZESZYLPTSRB-UHFFFAOYSA-N 1 0 323.396 3.139 50 0 DGAARO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000083812903 431812286 /nfs/dbraw/zinc/81/22/86/431812286.db2.gz ITHKCIFGPXWUIH-PDUYLLJLSA-N 1 0 311.429 3.191 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)s1)c1cccs1 ZINC000033471915 431815052 /nfs/dbraw/zinc/81/50/52/431815052.db2.gz ALYLJGKHXWSSIB-SECBINFHSA-N 1 0 314.863 3.496 50 0 DGAARO c1n[nH]cc1-c1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000032511712 431781074 /nfs/dbraw/zinc/78/10/74/431781074.db2.gz QFPVBBKYWDYIFC-UHFFFAOYSA-N 1 0 307.353 3.095 50 0 DGAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C)nc3)CC2)cc1 ZINC000036843539 431842121 /nfs/dbraw/zinc/84/21/21/431842121.db2.gz WQCPYKPZJFHJBJ-UHFFFAOYSA-N 1 0 323.440 3.047 50 0 DGAARO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccncc1 ZINC000037301141 431846058 /nfs/dbraw/zinc/84/60/58/431846058.db2.gz VCQYKEINVLRNKU-LLVKDONJSA-N 1 0 304.777 3.357 50 0 DGAARO CC[NH2+]Cc1cccc(NC(=O)CCC(=O)c2cccs2)c1 ZINC000122913158 431848689 /nfs/dbraw/zinc/84/86/89/431848689.db2.gz NCHWAHPXBRVDEF-UHFFFAOYSA-N 1 0 316.426 3.459 50 0 DGAARO CC(C)(C)C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038083629 431855348 /nfs/dbraw/zinc/85/53/48/431855348.db2.gz CZMHJJDBNJLLPE-GDBMZVCRSA-N 1 0 309.475 3.188 50 0 DGAARO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000089212643 431861377 /nfs/dbraw/zinc/86/13/77/431861377.db2.gz NLLXHZGQNRFMIS-IVMMDQJWSA-N 1 0 305.466 3.296 50 0 DGAARO COC(=O)N1CCC([NH2+][C@H]2CCCSc3ccccc32)CC1 ZINC000089401035 431864800 /nfs/dbraw/zinc/86/48/00/431864800.db2.gz HXRKRCRDSOEBBO-HNNXBMFYSA-N 1 0 320.458 3.434 50 0 DGAARO COCc1nccc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000089420466 431865368 /nfs/dbraw/zinc/86/53/68/431865368.db2.gz ZRWXHDWOSIXVJO-HNNXBMFYSA-N 1 0 315.392 3.142 50 0 DGAARO Cc1cc(N2CCN(Cc3ccncc3)CC2)c2ccccc2[nH+]1 ZINC000089583048 431870201 /nfs/dbraw/zinc/87/02/01/431870201.db2.gz CSXADDSIIOIBRP-UHFFFAOYSA-N 1 0 318.424 3.260 50 0 DGAARO Cc1cc(Cl)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cn1 ZINC000089575534 431870220 /nfs/dbraw/zinc/87/02/20/431870220.db2.gz RAPJWSCMQZMESW-UHFFFAOYSA-N 1 0 309.841 3.038 50 0 DGAARO Fc1cccc(-c2cc(N3CC[NH2+]CC3)nc3ccccc32)c1 ZINC000043808062 431870746 /nfs/dbraw/zinc/87/07/46/431870746.db2.gz GVAGDELDRWCOEH-UHFFFAOYSA-N 1 0 307.372 3.451 50 0 DGAARO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)cn1 ZINC000089616482 431871925 /nfs/dbraw/zinc/87/19/25/431871925.db2.gz DUDUJDYZJDFNNS-ZIAGYGMSSA-N 1 0 300.406 3.142 50 0 DGAARO COc1ccccc1C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000089610795 431872219 /nfs/dbraw/zinc/87/22/19/431872219.db2.gz XJAOREHCUHATQX-CYBMUJFWSA-N 1 0 310.401 3.206 50 0 DGAARO CC(C)CC[NH+]1CCC2(CC1)Nc1cccc(Cl)c1C(=O)N2 ZINC000034812237 431818777 /nfs/dbraw/zinc/81/87/77/431818777.db2.gz PGKPYHICQBIQRS-UHFFFAOYSA-N 1 0 321.852 3.334 50 0 DGAARO OCC1CC[NH+](Cc2cccc(NCc3ccco3)c2)CC1 ZINC000084374482 431823943 /nfs/dbraw/zinc/82/39/43/431823943.db2.gz NFPNUVILFHOVDW-UHFFFAOYSA-N 1 0 300.402 3.096 50 0 DGAARO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000035598337 431832078 /nfs/dbraw/zinc/83/20/78/431832078.db2.gz XGRNMYZBIFHQFK-INIZCTEOSA-N 1 0 320.440 3.442 50 0 DGAARO CC(C)OC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036096832 431835008 /nfs/dbraw/zinc/83/50/08/431835008.db2.gz NYSLKVSRLFZZOI-FQEVSTJZSA-N 1 0 313.441 3.475 50 0 DGAARO C[S@](=O)c1ccc(C[NH2+]CCc2ccc(F)cc2F)cc1 ZINC000085323475 431838239 /nfs/dbraw/zinc/83/82/39/431838239.db2.gz WZEDDQXBRWWAJS-OAQYLSRUSA-N 1 0 309.381 3.035 50 0 DGAARO Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000085387398 431839154 /nfs/dbraw/zinc/83/91/54/431839154.db2.gz VZEHTFKFVMELPT-BQFCYCMXSA-N 1 0 317.477 3.346 50 0 DGAARO CCC(CC)(CO)C[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095503815 431926306 /nfs/dbraw/zinc/92/63/06/431926306.db2.gz AXKFTFQFABWFSF-MRXNPFEDSA-N 1 0 305.462 3.358 50 0 DGAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC000048288924 431922504 /nfs/dbraw/zinc/92/25/04/431922504.db2.gz ZNWWVKUUXAAAMO-CRAIPNDOSA-N 1 0 318.436 3.091 50 0 DGAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000048324369 431923249 /nfs/dbraw/zinc/92/32/49/431923249.db2.gz IUXIBHYGDCVOED-MAUKXSAKSA-N 1 0 316.445 3.091 50 0 DGAARO Cc1cnccc1CN(C)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095380438 431923683 /nfs/dbraw/zinc/92/36/83/431923683.db2.gz IUNJBBDYYXZUPR-SFHVURJKSA-N 1 0 323.440 3.129 50 0 DGAARO CC[NH+]1CCC(CC(=O)N2CC[C@H]2c2cccc(OC)c2)CC1 ZINC000095375146 431924221 /nfs/dbraw/zinc/92/42/21/431924221.db2.gz NKICJDQCDOICKL-SFHVURJKSA-N 1 0 316.445 3.091 50 0 DGAARO c1nc(CC2CCCC2)[nH]c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000095373623 431924324 /nfs/dbraw/zinc/92/43/24/431924324.db2.gz MYVIHWVPBPWIDQ-SFHVURJKSA-N 1 0 303.450 3.145 50 0 DGAARO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000095422672 431924693 /nfs/dbraw/zinc/92/46/93/431924693.db2.gz FWXFGNMKMLDFDO-XIKOKIGWSA-N 1 0 319.376 3.227 50 0 DGAARO COc1cc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)ccc1SC ZINC000089729411 431876431 /nfs/dbraw/zinc/87/64/31/431876431.db2.gz AIHKBARRUJRGPM-OCCSQVGLSA-N 1 0 322.474 3.077 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cccnc1 ZINC000044889733 431878643 /nfs/dbraw/zinc/87/86/43/431878643.db2.gz SMFWDOGNXDJIBI-HNNXBMFYSA-N 1 0 314.389 3.023 50 0 DGAARO Fc1ccccc1C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000089813369 431880362 /nfs/dbraw/zinc/88/03/62/431880362.db2.gz YOBONGPSEQJALX-XKQJLSEDSA-N 1 0 301.405 3.405 50 0 DGAARO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000089904572 431884636 /nfs/dbraw/zinc/88/46/36/431884636.db2.gz OOGAUZJMUVGHQL-LBPRGKRZSA-N 1 0 310.825 3.012 50 0 DGAARO C[C@H](CCc1ccco1)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000089895800 431884695 /nfs/dbraw/zinc/88/46/95/431884695.db2.gz BFBUXYWNODLOQX-CQSZACIVSA-N 1 0 316.401 3.088 50 0 DGAARO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)CC)CC2)C12CCCCC2 ZINC000089941630 431886915 /nfs/dbraw/zinc/88/69/15/431886915.db2.gz CTVRXOLIWGNOSK-IRXDYDNUSA-N 1 0 322.493 3.105 50 0 DGAARO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000089937487 431886952 /nfs/dbraw/zinc/88/69/52/431886952.db2.gz IRLXNXHHBBZRNB-NHYWBVRUSA-N 1 0 314.351 3.052 50 0 DGAARO C[C@H]1C[C@@H]([NH2+]CCn2cnnc2C2CC2)c2ccsc2S1 ZINC000090033990 431889066 /nfs/dbraw/zinc/88/90/66/431889066.db2.gz NWXLNTFTKUEBNG-GXFFZTMASA-N 1 0 320.487 3.432 50 0 DGAARO COc1ccccc1C[C@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000095422981 431925673 /nfs/dbraw/zinc/92/56/73/431925673.db2.gz CYQOCFTVMMNHBL-SUMWQHHRSA-N 1 0 305.443 3.185 50 0 DGAARO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)s1 ZINC000090801380 431895882 /nfs/dbraw/zinc/89/58/82/431895882.db2.gz UTFKZIWHNOIEDE-JSGCOSHPSA-N 1 0 316.474 3.338 50 0 DGAARO CCOc1cc(C)c(CN2CCO[C@H](CC[NH3+])C2)cc1C(C)C ZINC000097631934 431972613 /nfs/dbraw/zinc/97/26/13/431972613.db2.gz FZJWKAWMANXESU-QGZVFWFLSA-N 1 0 320.477 3.067 50 0 DGAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cnc(CC2CCCC2)[nH]1 ZINC000097681723 431973371 /nfs/dbraw/zinc/97/33/71/431973371.db2.gz YWFKBJZNBXGHIK-UHFFFAOYSA-N 1 0 315.465 3.157 50 0 DGAARO CCC[NH+]1CCC(NCc2ccc(Br)cc2)CC1 ZINC000055291862 431979211 /nfs/dbraw/zinc/97/92/11/431979211.db2.gz FKKZXHRWSGYQIQ-UHFFFAOYSA-N 1 0 311.267 3.413 50 0 DGAARO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000055291874 431979360 /nfs/dbraw/zinc/97/93/60/431979360.db2.gz ISGJENDQAVFRSW-UHFFFAOYSA-N 1 0 324.424 3.104 50 0 DGAARO CCc1nc(C)c(C[N@H+](Cc2ccccc2C)[C@@H](CC)CO)[nH]1 ZINC000055255077 431979404 /nfs/dbraw/zinc/97/94/04/431979404.db2.gz TWZPUETXPRCXJN-KRWDZBQOSA-N 1 0 315.461 3.362 50 0 DGAARO CN(C)[C@H](C[NH2+]C1CC(C(F)F)C1)c1c(F)cccc1F ZINC000095945489 431926888 /nfs/dbraw/zinc/92/68/88/431926888.db2.gz XIKGSPJKFVTXNR-SRHKJQAYSA-N 1 0 304.331 3.201 50 0 DGAARO CCSCC[NH+]1CCC(C(=O)Nc2cccc(OC)c2)CC1 ZINC000095961323 431928292 /nfs/dbraw/zinc/92/82/92/431928292.db2.gz FHJOPIXPCCUSIZ-UHFFFAOYSA-N 1 0 322.474 3.099 50 0 DGAARO CCN(Cc1cccs1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000095965553 431928791 /nfs/dbraw/zinc/92/87/91/431928791.db2.gz UMTRBIKZTWMGPA-XJKSGUPXSA-N 1 0 302.443 3.433 50 0 DGAARO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cncc(F)c1 ZINC000095967850 431928939 /nfs/dbraw/zinc/92/89/39/431928939.db2.gz VUYCHCVDPUQMKS-ACJLOTCBSA-N 1 0 300.377 3.095 50 0 DGAARO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)c3cnccn3)cc2)n1 ZINC000095967309 431929002 /nfs/dbraw/zinc/92/90/02/431929002.db2.gz UHAVRUVMICTWHA-MRXNPFEDSA-N 1 0 321.428 3.172 50 0 DGAARO C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000095968090 431929170 /nfs/dbraw/zinc/92/91/70/431929170.db2.gz ULCJAOGYZDLYKO-KUHUBIRLSA-N 1 0 320.452 3.244 50 0 DGAARO Cc1csc([C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 ZINC000095968562 431929913 /nfs/dbraw/zinc/92/99/13/431929913.db2.gz CNBTYXXSNPEGOC-RYUDHWBXSA-N 1 0 319.396 3.129 50 0 DGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000095969023 431929940 /nfs/dbraw/zinc/92/99/40/431929940.db2.gz FAYLTKUUACFVBH-XTGKAWNFSA-N 1 0 311.466 3.426 50 0 DGAARO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000095968490 431930107 /nfs/dbraw/zinc/93/01/07/431930107.db2.gz HHTLSUVGQNATNS-TZMCWYRMSA-N 1 0 302.349 3.453 50 0 DGAARO Cc1csc([C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 ZINC000095968559 431930161 /nfs/dbraw/zinc/93/01/61/431930161.db2.gz CNBTYXXSNPEGOC-VXGBXAGGSA-N 1 0 319.396 3.129 50 0 DGAARO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cn2ccccc2n1 ZINC000095978200 431930510 /nfs/dbraw/zinc/93/05/10/431930510.db2.gz KXYJLFLMABIJNV-GUYCJALGSA-N 1 0 313.376 3.075 50 0 DGAARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccc(C)cc3)cn2)n1 ZINC000048742482 431931324 /nfs/dbraw/zinc/93/13/24/431931324.db2.gz NRPCOFXJLSWDOV-UHFFFAOYSA-N 1 0 306.413 3.482 50 0 DGAARO COc1ccc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000048742392 431931428 /nfs/dbraw/zinc/93/14/28/431931428.db2.gz SMHPMVPGIGASAP-UHFFFAOYSA-N 1 0 322.412 3.183 50 0 DGAARO Cc1nccn1-c1cc(C[NH2+]Cc2cc(F)ccc2F)ccn1 ZINC000048713932 431931501 /nfs/dbraw/zinc/93/15/01/431931501.db2.gz KKFQYXKEVGMKNK-UHFFFAOYSA-N 1 0 314.339 3.144 50 0 DGAARO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000095985006 431931624 /nfs/dbraw/zinc/93/16/24/431931624.db2.gz QMGNNEWPOKDKFS-ZJUUUORDSA-N 1 0 324.273 3.120 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000048711524 431931713 /nfs/dbraw/zinc/93/17/13/431931713.db2.gz VPIFPMYNELTSHH-UHFFFAOYSA-N 1 0 323.444 3.078 50 0 DGAARO Cc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000095982416 431931888 /nfs/dbraw/zinc/93/18/88/431931888.db2.gz OBQQZIXVGAMXNM-IBGZPJMESA-N 1 0 312.413 3.041 50 0 DGAARO CC(C)(C)NC(=O)C[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000095982151 431932243 /nfs/dbraw/zinc/93/22/43/431932243.db2.gz KIUNPFWYVUZLLG-UHFFFAOYSA-N 1 0 302.462 3.391 50 0 DGAARO Cc1cc(F)cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000095984858 431932247 /nfs/dbraw/zinc/93/22/47/431932247.db2.gz RFMPUPXTWMSDBD-CQSZACIVSA-N 1 0 305.397 3.084 50 0 DGAARO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000095991712 431932896 /nfs/dbraw/zinc/93/28/96/431932896.db2.gz KRZWADNRVCSOJO-NSHDSACASA-N 1 0 305.447 3.109 50 0 DGAARO C[C@H](CCCO)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000095995578 431933611 /nfs/dbraw/zinc/93/36/11/431933611.db2.gz VPUGUCSEJGHPDY-OCCSQVGLSA-N 1 0 316.367 3.035 50 0 DGAARO Cc1nc(-c2cccc3c2ccn3C)n(C2CC[NH+](C)CC2)n1 ZINC000096163306 431940333 /nfs/dbraw/zinc/94/03/33/431940333.db2.gz OWTWPIGEZDFBHP-UHFFFAOYSA-N 1 0 309.417 3.012 50 0 DGAARO O=C(N[C@@H]1CC[NH2+]C1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000096152762 431940445 /nfs/dbraw/zinc/94/04/45/431940445.db2.gz ZDPVWVQBSXWXIY-IAZZRBKQSA-N 1 0 324.468 3.003 50 0 DGAARO Cc1cc(C(=O)N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(-c2ccccc2)o1 ZINC000096150758 431940753 /nfs/dbraw/zinc/94/07/53/431940753.db2.gz NAHBNPZLBGLIFS-DOTOQJQBSA-N 1 0 310.397 3.079 50 0 DGAARO Cc1nc(CC[C@@H]2CCC[N@@H+](C)C2)n(Cc2ccc(C)cc2)n1 ZINC000096162895 431940862 /nfs/dbraw/zinc/94/08/62/431940862.db2.gz IRDNEGCLANEUPU-KRWDZBQOSA-N 1 0 312.461 3.218 50 0 DGAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)c1 ZINC000049600815 431942685 /nfs/dbraw/zinc/94/26/85/431942685.db2.gz GEEYVTOVODOQAC-HNNXBMFYSA-N 1 0 300.402 3.206 50 0 DGAARO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccn1)Nc1ccccc1 ZINC000096424146 431947173 /nfs/dbraw/zinc/94/71/73/431947173.db2.gz IYAUOPOQLPZONL-SFHVURJKSA-N 1 0 324.428 3.258 50 0 DGAARO Cc1ncsc1CC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424450 431947238 /nfs/dbraw/zinc/94/72/38/431947238.db2.gz RMCGUZCYGLZENF-INIZCTEOSA-N 1 0 320.433 3.331 50 0 DGAARO Cc1ccc2cccc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)c2n1 ZINC000096420711 431947348 /nfs/dbraw/zinc/94/73/48/431947348.db2.gz AJMNELWDCVNSFE-OAHLLOKOSA-N 1 0 311.429 3.003 50 0 DGAARO Oc1cccc(C[N@@H+](Cc2ccncc2)C2CCC(O)CC2)c1 ZINC000096424693 431947621 /nfs/dbraw/zinc/94/76/21/431947621.db2.gz UWRSVRDYGQUWNP-UHFFFAOYSA-N 1 0 312.413 3.093 50 0 DGAARO CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000096450627 431950677 /nfs/dbraw/zinc/95/06/77/431950677.db2.gz VULODGWEZDNSRM-HOTGVXAUSA-N 1 0 306.475 3.152 50 0 DGAARO CC(C)C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000096476801 431952750 /nfs/dbraw/zinc/95/27/50/431952750.db2.gz INFSKTHEUGYCAY-HIFRSBDPSA-N 1 0 315.383 3.395 50 0 DGAARO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccco1 ZINC000096476463 431953003 /nfs/dbraw/zinc/95/30/03/431953003.db2.gz YMWPHQRZTBJWBT-RDJZCZTQSA-N 1 0 300.402 3.004 50 0 DGAARO CCCC(=O)Nc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000096487564 431954017 /nfs/dbraw/zinc/95/40/17/431954017.db2.gz YESRWVZPZNYVEB-CZUORRHYSA-N 1 0 301.434 3.462 50 0 DGAARO Cc1nc(SCC[C@H]2CCC[N@H+]2C)n(C[C@@H]2CCCO2)c1C ZINC000096485295 431954060 /nfs/dbraw/zinc/95/40/60/431954060.db2.gz NDZXYZJTJGUAGG-CVEARBPZSA-N 1 0 323.506 3.255 50 0 DGAARO C[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C ZINC000096493202 431954104 /nfs/dbraw/zinc/95/41/04/431954104.db2.gz SWFNMBMPDDAPNT-HZMBPMFUSA-N 1 0 314.351 3.223 50 0 DGAARO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCC(=O)N(C)C3)oc21 ZINC000097034555 431956006 /nfs/dbraw/zinc/95/60/06/431956006.db2.gz IKAFQMADPHBLLB-TZMCWYRMSA-N 1 0 316.401 3.103 50 0 DGAARO Oc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2nccs2)CC1 ZINC000097036965 431957310 /nfs/dbraw/zinc/95/73/10/431957310.db2.gz ZPIOPFOKDVFYOR-HNNXBMFYSA-N 1 0 315.442 3.095 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1oc2ccc(F)cc2c1C ZINC000052819790 431958161 /nfs/dbraw/zinc/95/81/61/431958161.db2.gz VJFNZHGADGMRBC-ZDUSSCGKSA-N 1 0 304.365 3.094 50 0 DGAARO CCn1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cn1 ZINC000097051445 431958395 /nfs/dbraw/zinc/95/83/95/431958395.db2.gz CTQSUHVFJREPCE-UHFFFAOYSA-N 1 0 317.408 3.223 50 0 DGAARO FC(F)(F)c1ccn(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000097048575 431958483 /nfs/dbraw/zinc/95/84/83/431958483.db2.gz OGNHFOKIPPXHNE-UHFFFAOYSA-N 1 0 310.323 3.134 50 0 DGAARO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000097084037 431960310 /nfs/dbraw/zinc/96/03/10/431960310.db2.gz BZIXENADTDHBAX-STQMWFEESA-N 1 0 315.442 3.481 50 0 DGAARO Cn1cc(C[NH2+]CCc2cscn2)c(C2CCCCC2)n1 ZINC000097086562 431960454 /nfs/dbraw/zinc/96/04/54/431960454.db2.gz PUFZWGDKEMQJOS-UHFFFAOYSA-N 1 0 304.463 3.257 50 0 DGAARO c1cc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cs1 ZINC000097103459 431961037 /nfs/dbraw/zinc/96/10/37/431961037.db2.gz FDTKMWGZGAKDFS-CYBMUJFWSA-N 1 0 305.403 3.114 50 0 DGAARO Cc1cc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)ccc1F ZINC000097159766 431963295 /nfs/dbraw/zinc/96/32/95/431963295.db2.gz XYERGVOCQKZCFZ-UHFFFAOYSA-N 1 0 310.376 3.219 50 0 DGAARO CC(=O)N1CC[C@H](C[N@@H+](C)CCc2ccc(C(C)C)cc2)C1 ZINC000097162691 431963340 /nfs/dbraw/zinc/96/33/40/431963340.db2.gz DTDDOPVNDLSXSC-GOSISDBHSA-N 1 0 302.462 3.153 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000097159136 431963400 /nfs/dbraw/zinc/96/34/00/431963400.db2.gz HTOCDZFKHHTWAH-HNNXBMFYSA-N 1 0 312.461 3.323 50 0 DGAARO CC(C)c1nc(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)co1 ZINC000097288816 431966759 /nfs/dbraw/zinc/96/67/59/431966759.db2.gz GRJOWONOSBLZDO-GOSISDBHSA-N 1 0 313.445 3.287 50 0 DGAARO COc1ccc(/C=C/CN2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000097360061 431968086 /nfs/dbraw/zinc/96/80/86/431968086.db2.gz AJAOKCWWBJDIOU-ONEGZZNKSA-N 1 0 323.440 3.234 50 0 DGAARO COc1ccc2[nH]c(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4OC)c(C)c2c1 ZINC000102590821 431995639 /nfs/dbraw/zinc/99/56/39/431995639.db2.gz GODGVOVMCMGASU-BDQBCWGISA-N 1 0 314.429 3.342 50 0 DGAARO C[C@H]([NH2+]Cc1cnc2ccnn2c1)c1ccc2c(c1)CCCC2 ZINC000058342411 431996673 /nfs/dbraw/zinc/99/66/73/431996673.db2.gz YXBAZWCKEKKDCG-AWEZNQCLSA-N 1 0 306.413 3.459 50 0 DGAARO Cc1ccsc1[C@H](CNc1ncnc2onc(C)c21)[NH+](C)C ZINC000091551583 281510476 /nfs/dbraw/zinc/51/04/76/281510476.db2.gz PKVSUXLSJPEMLI-NSHDSACASA-N 1 0 317.418 3.011 50 0 DGAARO Cc1cc(NC(=O)CN2CCCC[C@@H]2c2ccc(F)cc2)no1 ZINC000252484387 432378633 /nfs/dbraw/zinc/37/86/33/432378633.db2.gz FVCUEYRIIHNVLU-OAHLLOKOSA-N 1 0 317.364 3.288 50 0 DGAARO O[C@H](c1ccccn1)C1CC[NH+](CCCc2ccco2)CC1 ZINC000252482269 432378657 /nfs/dbraw/zinc/37/86/57/432378657.db2.gz DBXGNTUWDRLFCB-SFHVURJKSA-N 1 0 300.402 3.053 50 0 DGAARO CSCC1CC[NH+](C[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC000252491506 432379591 /nfs/dbraw/zinc/37/95/91/432379591.db2.gz 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432441714 /nfs/dbraw/zinc/44/17/14/432441714.db2.gz QIVGOEPVGFKSRF-CQSZACIVSA-N 1 0 324.350 3.476 50 0 DGAARO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193086133 432447290 /nfs/dbraw/zinc/44/72/90/432447290.db2.gz FWBCBJCGLIVFLF-JTQLQIEISA-N 1 0 302.403 3.296 50 0 DGAARO O=C(NC1CCCCC1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257182568 432416163 /nfs/dbraw/zinc/41/61/63/432416163.db2.gz GRPYYFDSNCNGFA-INIZCTEOSA-N 1 0 307.482 3.227 50 0 DGAARO O=C1NCCCCC[N@@H+](Cc2ccc(F)cc2F)[C@H]2CCC[C@@H]12 ZINC000257183427 432417018 /nfs/dbraw/zinc/41/70/18/432417018.db2.gz RJQGAACWNDGZJI-WBVHZDCISA-N 1 0 322.399 3.236 50 0 DGAARO CN(C)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccco1 ZINC000154106720 432473277 /nfs/dbraw/zinc/47/32/77/432473277.db2.gz AZTCWQTZGRGTAW-SFHVURJKSA-N 1 0 313.445 3.141 50 0 DGAARO Cc1nc(CN2CCN([C@@H](C)c3ccsc3)CC2)cs1 ZINC000185456620 432502180 /nfs/dbraw/zinc/50/21/80/432502180.db2.gz UVIKRPTUDIVOMR-LBPRGKRZSA-N 1 0 307.488 3.392 50 0 DGAARO 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CC[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000242288039 529295417 /nfs/dbraw/zinc/29/54/17/529295417.db2.gz YKNZDKHEXYCJMZ-QBPKDAKJSA-N 1 0 309.498 3.184 50 0 DGAARO CC[C@H](CNC(=O)c1ccc(-c2cc(C)ccn2)cc1)[NH+](C)C ZINC000426647375 529358248 /nfs/dbraw/zinc/35/82/48/529358248.db2.gz UWELMYSNXGAQDL-QGZVFWFLSA-N 1 0 311.429 3.127 50 0 DGAARO Cc1ccc(C[NH2+]Cc2cccnc2)c(OC[C@@H]2CCOC2)c1 ZINC000084146318 545784700 /nfs/dbraw/zinc/78/47/00/545784700.db2.gz FIHCTHZGEVFQGS-QGZVFWFLSA-N 1 0 312.413 3.095 50 0 DGAARO CC1(C)Cc2cc(C[NH2+]C[C@H]3CCCn4ccnc43)ccc2O1 ZINC000084673777 545792841 /nfs/dbraw/zinc/79/28/41/545792841.db2.gz ADZRWFFBANRUMC-OAHLLOKOSA-N 1 0 311.429 3.264 50 0 DGAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000084736345 545794373 /nfs/dbraw/zinc/79/43/73/545794373.db2.gz FKDNWEDGDOKBFT-JSGCOSHPSA-N 1 0 312.841 3.306 50 0 DGAARO COc1ccccc1NC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000085905570 545800142 /nfs/dbraw/zinc/80/01/42/545800142.db2.gz 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OSUCVTVHCSYJHF-KRWDZBQOSA-N 1 0 318.436 3.235 50 0 DGAARO Cc1ccc(NC(=O)[C@@H]2OCCN(C)[C@H]2c2ccccc2)cc1 ZINC000581801829 1092274924 /nfs/dbraw/zinc/27/49/24/1092274924.db2.gz OJWUGQOHRKJSEC-ZWKOTPCHSA-N 1 0 310.397 3.005 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)c1nccc2ccccc21 ZINC000581813084 1092278022 /nfs/dbraw/zinc/27/80/22/1092278022.db2.gz XEWBDZOEPMRKDS-UHFFFAOYSA-N 1 0 320.396 3.047 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2cccnc2C)C1 ZINC000581806698 1092279823 /nfs/dbraw/zinc/27/98/23/1092279823.db2.gz UZUZTUOPMRINMU-INIZCTEOSA-N 1 0 324.428 3.250 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)C2CCCC2)CC1 ZINC000581808824 1092281949 /nfs/dbraw/zinc/28/19/49/1092281949.db2.gz QGZUYUQNCCBAOC-UHFFFAOYSA-N 1 0 301.434 3.423 50 0 DGAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)C2CCC2)CC1 ZINC000581816848 1092283054 /nfs/dbraw/zinc/28/30/54/1092283054.db2.gz PGEYUUGENHHFJY-UHFFFAOYSA-N 1 0 303.450 3.183 50 0 DGAARO Cc1c[nH+]c(CC2CCN(C(=O)CC(C)C)CC2)n1CC1CC1 ZINC000581816388 1092283159 /nfs/dbraw/zinc/28/31/59/1092283159.db2.gz ALXKWJHRJOKARZ-UHFFFAOYSA-N 1 0 317.477 3.429 50 0 DGAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000581813859 1092285301 /nfs/dbraw/zinc/28/53/01/1092285301.db2.gz JCLJDJQLSAZQCD-OAHLLOKOSA-N 1 0 324.428 3.016 50 0 DGAARO Cc1c[nH+]c(C)n1C[C@@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000581813688 1092285399 /nfs/dbraw/zinc/28/53/99/1092285399.db2.gz DPLHOCMUNKPAMZ-OAHLLOKOSA-N 1 0 322.412 3.144 50 0 DGAARO O=c1[nH]c(C[NH2+][C@H]2CCc3ccccc3OC2)cc2ccccc21 ZINC000585080192 1094969696 /nfs/dbraw/zinc/96/96/96/1094969696.db2.gz DUECXEUMGQHACF-INIZCTEOSA-N 1 0 320.392 3.424 50 0 DGAARO CC(C)n1ncc2c1[C@H]([NH2+]Cc1cccnc1N(C)C)CCC2 ZINC000585083583 1094975129 /nfs/dbraw/zinc/97/51/29/1094975129.db2.gz IXWWGHOWECZORV-MRXNPFEDSA-N 1 0 313.449 3.092 50 0 DGAARO C[C@@H]1C[C@H](N(C)Cc2cnsn2)CC[N@@H+]1Cc1ccccc1 ZINC000585090671 1094996651 /nfs/dbraw/zinc/99/66/51/1094996651.db2.gz NKAGPKKBVMPWLN-RHSMWYFYSA-N 1 0 316.474 3.023 50 0 DGAARO COc1ccccc1/C=C/C[NH2+]CCCO[C@H]1CCCCO1 ZINC000585118481 1095013230 /nfs/dbraw/zinc/01/32/30/1095013230.db2.gz QGJTZPHBBDRLOZ-YOCVDRLZSA-N 1 0 305.418 3.231 50 0 DGAARO CC(C)OCc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])ccc1F ZINC000952845496 1096778662 /nfs/dbraw/zinc/77/86/62/1096778662.db2.gz IFLPNFZUKXPQTK-INIZCTEOSA-N 1 0 322.424 3.094 50 0 DGAARO Cc1ccc(C(C)(C)CC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000952845882 1096779724 /nfs/dbraw/zinc/77/97/24/1096779724.db2.gz GCKFUXGCPOSUCK-HXUWFJFHSA-N 1 0 314.473 3.265 50 0 DGAARO CC(C)c1nccn1CCC[NH2+][C@@H](C)CN1CCCCCC1 ZINC000952860388 1096781934 /nfs/dbraw/zinc/78/19/34/1096781934.db2.gz OIXVQISYPPRRLE-KRWDZBQOSA-N 1 0 306.498 3.251 50 0 DGAARO C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)n1cccn1 ZINC000952868878 1096782191 /nfs/dbraw/zinc/78/21/91/1096782191.db2.gz BQBXTXYOGFUYNB-HNNXBMFYSA-N 1 0 312.417 3.069 50 0 DGAARO CCCc1nc(NCCC2CC[NH+](C3CCCC3)CC2)no1 ZINC000952861815 1096782388 /nfs/dbraw/zinc/78/23/88/1096782388.db2.gz KWWLCMBMNJKJJR-UHFFFAOYSA-N 1 0 306.454 3.479 50 0 DGAARO OC[C@@H]1CCC[N@H+](CCNc2ccc3cc(Cl)ccc3n2)C1 ZINC000952873469 1096784385 /nfs/dbraw/zinc/78/43/85/1096784385.db2.gz XFVCADRSCOISNL-CYBMUJFWSA-N 1 0 319.836 3.004 50 0 DGAARO CC(C)n1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC000095479266 185373452 /nfs/dbraw/zinc/37/34/52/185373452.db2.gz KUULWKPQAXGQAA-KRWDZBQOSA-N 1 0 311.429 3.046 50 0 DGAARO Cc1ccc2cccc(NC(=O)NCC[C@@H]3CCC[N@H+]3C)c2n1 ZINC000095503038 185375205 /nfs/dbraw/zinc/37/52/05/185375205.db2.gz DWOOLXOQHNBWNA-HNNXBMFYSA-N 1 0 312.417 3.149 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)c(F)cc1Cl ZINC000095506119 185375552 /nfs/dbraw/zinc/37/55/52/185375552.db2.gz MPRICOHNQRVUBU-LLVKDONJSA-N 1 0 313.804 3.393 50 0 DGAARO C/C=C/CC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095512298 185376633 /nfs/dbraw/zinc/37/66/33/185376633.db2.gz PCGOKOOUIDOXSA-OAJJDEHYSA-N 1 0 312.457 3.433 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)c1ccc(F)cc1F ZINC000079093419 185157185 /nfs/dbraw/zinc/15/71/85/185157185.db2.gz ZBBALWLNCNJIDB-SNVBAGLBSA-N 1 0 302.328 3.097 50 0 DGAARO C[N@H+](CCCNC(=O)/C=C\c1ccccc1)Cc1ccccc1 ZINC000096943914 185393503 /nfs/dbraw/zinc/39/35/03/185393503.db2.gz HNXYATUDISTCJK-YPKPFQOOSA-N 1 0 308.425 3.338 50 0 DGAARO Cc1ccc(C[NH2+]Cc2cccn2C)c(OC[C@H]2CCOC2)c1 ZINC000088753577 185264096 /nfs/dbraw/zinc/26/40/96/185264096.db2.gz OQEVJTGLEMWMKI-INIZCTEOSA-N 1 0 314.429 3.039 50 0 DGAARO CCOCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089988660 185274909 /nfs/dbraw/zinc/27/49/09/185274909.db2.gz UPIYNTCYTPKEOL-YOEHRIQHSA-N 1 0 319.449 3.027 50 0 DGAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000089949027 185271123 /nfs/dbraw/zinc/27/11/23/185271123.db2.gz MMJMPRCCRMWXRT-MLGOLLRUSA-N 1 0 322.399 3.092 50 0 DGAARO COc1cc(C[NH2+][C@@H](CN(C)C)c2ccccc2)cc(OC)c1 ZINC000096971432 185394546 /nfs/dbraw/zinc/39/45/46/185394546.db2.gz AJPGNIGEUQHKEO-IBGZPJMESA-N 1 0 314.429 3.096 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(F)c1 ZINC000090221500 185286994 /nfs/dbraw/zinc/28/69/94/185286994.db2.gz OTXDVGSSXAENNP-VERVWZFWSA-N 1 0 321.417 3.423 50 0 DGAARO C[NH+](C)[C@H]1CCCCN(Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000082115532 192358482 /nfs/dbraw/zinc/35/84/82/192358482.db2.gz JYRONUSHKZCKFX-KRWDZBQOSA-N 1 0 316.424 3.132 50 0 DGAARO FC(F)COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000092648478 185331184 /nfs/dbraw/zinc/33/11/84/185331184.db2.gz KFUZVQOUSMIICE-UHFFFAOYSA-N 1 0 321.371 3.364 50 0 DGAARO c1nc2cnccn2c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000092736002 185337373 /nfs/dbraw/zinc/33/73/73/185337373.db2.gz SAULWWBOZIHEIS-UHFFFAOYSA-N 1 0 314.433 3.043 50 0 DGAARO Cn1nccc1C1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000092810621 185342916 /nfs/dbraw/zinc/34/29/16/185342916.db2.gz DGVQSLVPZSCWER-UHFFFAOYSA-N 1 0 321.428 3.190 50 0 DGAARO CC(C)[NH+]1CCC(CC(=O)NCCCc2ccccc2F)CC1 ZINC000095389238 185351303 /nfs/dbraw/zinc/35/13/03/185351303.db2.gz ABTSTNRRZAUTFR-UHFFFAOYSA-N 1 0 320.452 3.385 50 0 DGAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000095402517 185354936 /nfs/dbraw/zinc/35/49/36/185354936.db2.gz BIXNSERVGIJITQ-CUXJHESGSA-N 1 0 312.457 3.327 50 0 DGAARO Cc1csc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)n1 ZINC000095415592 185358853 /nfs/dbraw/zinc/35/88/53/185358853.db2.gz GNFJVHICRFPQAW-UHFFFAOYSA-N 1 0 317.336 3.034 50 0 DGAARO c1ccc(C[C@H]([NH2+]Cc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000095419381 185359918 /nfs/dbraw/zinc/35/99/18/185359918.db2.gz RLJDOLBPQHYECT-KRWDZBQOSA-N 1 0 310.445 3.115 50 0 DGAARO C[C@@H]([NH2+]C1CCOCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000095420567 185359993 /nfs/dbraw/zinc/35/99/93/185359993.db2.gz GDBMNUAUZMGCPH-LLVKDONJSA-N 1 0 303.324 3.457 50 0 DGAARO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000095420042 185360237 /nfs/dbraw/zinc/36/02/37/185360237.db2.gz BRNHPFJLYDQXDO-CYBMUJFWSA-N 1 0 304.413 3.207 50 0 DGAARO O=c1ccccn1CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000095421243 185360331 /nfs/dbraw/zinc/36/03/31/185360331.db2.gz YYLROGANQRUIBQ-HNNXBMFYSA-N 1 0 302.443 3.357 50 0 DGAARO O=C(NCC1(c2cccc(Cl)c2)CCCC1)C1CC[NH2+]CC1 ZINC000095426471 185361808 /nfs/dbraw/zinc/36/18/08/185361808.db2.gz WQCSXRVBSFJSCA-UHFFFAOYSA-N 1 0 320.864 3.268 50 0 DGAARO C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000095427855 185362173 /nfs/dbraw/zinc/36/21/73/185362173.db2.gz JLHGIQTYOUNHNM-LSDHHAIUSA-N 1 0 316.351 3.426 50 0 DGAARO Cc1ccc(C[NH+](C)C)cc1NCc1ccc([S@@](C)=O)cc1 ZINC000095429318 185362493 /nfs/dbraw/zinc/36/24/93/185362493.db2.gz QQGMRXPAVWNXOB-QFIPXVFZSA-N 1 0 316.470 3.406 50 0 DGAARO CCc1oc2ccccc2c1C[NH2+]CC1(O)CCSCC1 ZINC000097002445 185396497 /nfs/dbraw/zinc/39/64/97/185396497.db2.gz REVKUGHVSHKILH-UHFFFAOYSA-N 1 0 305.443 3.343 50 0 DGAARO COC(=O)N1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000095420835 185360537 /nfs/dbraw/zinc/36/05/37/185360537.db2.gz BHRCRQQFVIHIRD-GFCCVEGCSA-N 1 0 302.374 3.314 50 0 DGAARO O=c1ccccn1CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000095421233 185360588 /nfs/dbraw/zinc/36/05/88/185360588.db2.gz VJXJYVDKRSWYBF-INIZCTEOSA-N 1 0 314.454 3.455 50 0 DGAARO Cc1cccn2c(C[NH2+][C@@H](C)C[C@@H](O)c3ccccc3)cnc12 ZINC000095448815 185368467 /nfs/dbraw/zinc/36/84/67/185368467.db2.gz NXWDYXDPSSRCGI-MAUKXSAKSA-N 1 0 309.413 3.245 50 0 DGAARO COc1ccc2oc(CNC[C@@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000095448614 185368491 /nfs/dbraw/zinc/36/84/91/185368491.db2.gz JIWPVOXHDVPXNG-ZDUSSCGKSA-N 1 0 300.402 3.015 50 0 DGAARO Fc1cc(N2CC[C@H]([NH2+]Cc3cccnc3)C2)ccc1Cl ZINC000095448952 185368517 /nfs/dbraw/zinc/36/85/17/185368517.db2.gz VERXKYXBUGDZCL-ZDUSSCGKSA-N 1 0 305.784 3.243 50 0 DGAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cccc(F)c1Cl ZINC000097019359 185397999 /nfs/dbraw/zinc/39/79/99/185397999.db2.gz GMDKXTDAJZFAJJ-UHFFFAOYSA-N 1 0 304.752 3.377 50 0 DGAARO CC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[C@H]([NH3+])C3)o2)cc1 ZINC000097020013 185398197 /nfs/dbraw/zinc/39/81/97/185398197.db2.gz MXEINWIGUAXHSM-HNNXBMFYSA-N 1 0 312.413 3.417 50 0 DGAARO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000097033370 185399632 /nfs/dbraw/zinc/39/96/32/185399632.db2.gz MOBXHCCYSISAFO-KRWDZBQOSA-N 1 0 317.477 3.052 50 0 DGAARO Cc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000097107626 185410817 /nfs/dbraw/zinc/41/08/17/185410817.db2.gz UPWPSEOUYYLIEO-UHFFFAOYSA-N 1 0 316.449 3.309 50 0 DGAARO Cc1nc(C(C)C)cc(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000065410383 432011765 /nfs/dbraw/zinc/01/17/65/432011765.db2.gz ZQDSRRODAPBRRO-UHFFFAOYSA-N 1 0 302.466 3.363 50 0 DGAARO CCSc1cccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000104171261 432014970 /nfs/dbraw/zinc/01/49/70/432014970.db2.gz REHQPCAIYZLMDU-HNNXBMFYSA-N 1 0 317.458 3.277 50 0 DGAARO CCc1nnc2n1C[C@H](C[NH2+]C/C(C)=C/c1ccccc1)CC2 ZINC000069869781 190830484 /nfs/dbraw/zinc/83/04/84/190830484.db2.gz LCJUSLDLOKKUNY-JMPLCFMRSA-N 1 0 310.445 3.096 50 0 DGAARO Cc1ccc2ncccc2c1-c1nccn1C[C@H]1CC[N@@H+](C)C1 ZINC000071748238 191020350 /nfs/dbraw/zinc/02/03/50/191020350.db2.gz ICGXEMYUJVFMQV-HNNXBMFYSA-N 1 0 306.413 3.358 50 0 DGAARO c1cc2c(c(-c3ccc(N4CCCCCC4)nn3)c1)CC[NH2+]C2 ZINC000071754485 191025367 /nfs/dbraw/zinc/02/53/67/191025367.db2.gz BNFUYMULCMCHLS-UHFFFAOYSA-N 1 0 308.429 3.170 50 0 DGAARO CC[C@@H]1CN(Cc2ccnn2-c2ccccc2)CC[N@@H+]1C(C)C ZINC000072143928 191050724 /nfs/dbraw/zinc/05/07/24/191050724.db2.gz BCQJQCLKWLCLQD-QGZVFWFLSA-N 1 0 312.461 3.177 50 0 DGAARO c1cc2ccc(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc2[nH]1 ZINC000072145659 191051363 /nfs/dbraw/zinc/05/13/63/191051363.db2.gz DQXIHKZTANBJFO-INIZCTEOSA-N 1 0 306.413 3.497 50 0 DGAARO CC[C@H]1CN(Cc2cnc(-c3ccco3)nc2)CC[N@@H+]1C(C)C ZINC000072147227 191052457 /nfs/dbraw/zinc/05/24/57/191052457.db2.gz DOSLLJBLEAUGFF-INIZCTEOSA-N 1 0 314.433 3.041 50 0 DGAARO c1ccc2[nH]c(C[C@@H]3CCC[N@H+](Cc4ccncc4)C3)nc2c1 ZINC000072149276 191054489 /nfs/dbraw/zinc/05/44/89/191054489.db2.gz UCPZWKRYGBFHAU-INIZCTEOSA-N 1 0 306.413 3.413 50 0 DGAARO C[N@H+](Cc1cccc(OCCO)c1)Cc1cccc2ncccc12 ZINC000072151872 191055784 /nfs/dbraw/zinc/05/57/84/191055784.db2.gz CCFSVZZAFRQKSP-UHFFFAOYSA-N 1 0 322.408 3.238 50 0 DGAARO OCC[N@@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072161968 191061948 /nfs/dbraw/zinc/06/19/48/191061948.db2.gz RHOYFGTVRGWADH-CQSZACIVSA-N 1 0 301.352 3.342 50 0 DGAARO O=C(Cc1ccccc1)[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000072154998 191058850 /nfs/dbraw/zinc/05/88/50/191058850.db2.gz ADIVSKUEMRIXSH-GOSISDBHSA-N 1 0 308.425 3.148 50 0 DGAARO c1ccc(CCC[N@@H+]2CCCN(Cc3cccnc3)CC2)cc1 ZINC000072158120 191061098 /nfs/dbraw/zinc/06/10/98/191061098.db2.gz FTMWOKKQPDMHAJ-UHFFFAOYSA-N 1 0 309.457 3.222 50 0 DGAARO C[NH+](C)CCNc1cc(-c2ncccc2Cl)c2cc[nH]c2n1 ZINC000072167723 191067367 /nfs/dbraw/zinc/06/73/67/191067367.db2.gz NIYUZCHLMGIRRQ-UHFFFAOYSA-N 1 0 315.808 3.252 50 0 DGAARO O=C(Nc1cccnc1)c1ccc(-c2cccc3c2CC[NH2+]C3)o1 ZINC000072174059 191069381 /nfs/dbraw/zinc/06/93/81/191069381.db2.gz YADWEWAJBUXFCL-UHFFFAOYSA-N 1 0 319.364 3.240 50 0 DGAARO COc1ccc(OC[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072171296 191069981 /nfs/dbraw/zinc/06/99/81/191069981.db2.gz BBHMLMFCWIFZDW-QGZVFWFLSA-N 1 0 312.413 3.381 50 0 DGAARO Cc1ccccc1CCC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000084677668 192454993 /nfs/dbraw/zinc/45/49/93/192454993.db2.gz KXLXLFSCHNHSSG-UHFFFAOYSA-N 1 0 300.446 3.014 50 0 DGAARO Cn1nccc1[C@H]1CCC[N@H+](CCCc2nc3ccccc3o2)C1 ZINC000072272646 191095913 /nfs/dbraw/zinc/09/59/13/191095913.db2.gz UOWWPFDAKOURON-HNNXBMFYSA-N 1 0 324.428 3.374 50 0 DGAARO CCn1ncc2c1CCC[C@H]2[NH2+]CC1=Cc2ccccc2OC1 ZINC000072298476 191113008 /nfs/dbraw/zinc/11/30/08/191113008.db2.gz VCTMKFUDNBOUGR-QGZVFWFLSA-N 1 0 309.413 3.346 50 0 DGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OC)c(F)c1 ZINC000072298378 191113071 /nfs/dbraw/zinc/11/30/71/191113071.db2.gz YQUCCBDBKZUHQS-HNNXBMFYSA-N 1 0 303.381 3.218 50 0 DGAARO CCO[C@@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C12CCCC2 ZINC000106920548 432025508 /nfs/dbraw/zinc/02/55/08/432025508.db2.gz NZFXPUOGANSHAT-YESZJQIVSA-N 1 0 322.493 3.105 50 0 DGAARO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000237325217 295826305 /nfs/dbraw/zinc/82/63/05/295826305.db2.gz CSZZHMYTCOPDIB-NWDGAFQWSA-N 1 0 314.351 3.149 50 0 DGAARO CC[NH+](CC)C[C@@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000107064374 432027625 /nfs/dbraw/zinc/02/76/25/432027625.db2.gz LSAZOGMFNKMHGF-KGLIPLIRSA-N 1 0 308.470 3.092 50 0 DGAARO Cc1cc2nc(C(C)C)cc(NCC[N@@H+]3CCCC[C@@H]3C)n2n1 ZINC000072406817 191152787 /nfs/dbraw/zinc/15/27/87/191152787.db2.gz AKYAFULXBZIRFI-HNNXBMFYSA-N 1 0 315.465 3.447 50 0 DGAARO CC(C)(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000067165097 432027884 /nfs/dbraw/zinc/02/78/84/432027884.db2.gz AYHIUIRSTMKVHO-IAGOWNOFSA-N 1 0 300.446 3.097 50 0 DGAARO COc1cc(F)c(CN2CCCC[C@H]2CC[NH+](C)C)cc1OC ZINC000072432011 191165090 /nfs/dbraw/zinc/16/50/90/191165090.db2.gz VFTSRFDUPATLNT-HNNXBMFYSA-N 1 0 324.440 3.149 50 0 DGAARO Cc1ccc2[nH]c(C[NH2+]C[C@@H](C)Oc3cccnc3)nc2c1C ZINC000067446926 432030740 /nfs/dbraw/zinc/03/07/40/432030740.db2.gz POUQOHNQRBCMKB-CYBMUJFWSA-N 1 0 310.401 3.132 50 0 DGAARO Cc1ccc2[nH]c(C[NH2+]C[C@H](C)Oc3cccnc3)nc2c1C ZINC000067446927 432030952 /nfs/dbraw/zinc/03/09/52/432030952.db2.gz POUQOHNQRBCMKB-ZDUSSCGKSA-N 1 0 310.401 3.132 50 0 DGAARO C[C@H](O)C[NH2+]CCCOc1ccccc1OCc1ccccc1 ZINC000002880047 180967137 /nfs/dbraw/zinc/96/71/37/180967137.db2.gz NBQDFMADCOWAAB-INIZCTEOSA-N 1 0 315.413 3.005 50 0 DGAARO CC[NH+](CC)CCOCCOc1ccc(Br)cc1 ZINC000002896340 180968319 /nfs/dbraw/zinc/96/83/19/180968319.db2.gz YLKDKKJGOKNUEE-UHFFFAOYSA-N 1 0 316.239 3.186 50 0 DGAARO O[C@@H]1C[N@@H+](C2CCCCCC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067675578 432034695 /nfs/dbraw/zinc/03/46/95/432034695.db2.gz NNKUWTVUEHKFJT-DLBZAZTESA-N 1 0 317.429 3.288 50 0 DGAARO [NH3+]CCSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000003311794 181003445 /nfs/dbraw/zinc/00/34/45/181003445.db2.gz XBIILKRAILLBLG-UHFFFAOYSA-N 1 0 302.428 3.047 50 0 DGAARO O[C@@H](C[NH2+]CCc1ccccc1)COc1cccc2ccccc21 ZINC000003605023 181039477 /nfs/dbraw/zinc/03/94/77/181039477.db2.gz WGWCQQJDGPKRGN-IBGZPJMESA-N 1 0 321.420 3.412 50 0 DGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCCC4)[C@H]3C=C12 ZINC000004043277 181066805 /nfs/dbraw/zinc/06/68/05/181066805.db2.gz CEOLCSAOVYREMC-MPZAXGONSA-N 1 0 303.446 3.396 50 0 biogenic DGAARO COc1ccc(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000004101688 181073303 /nfs/dbraw/zinc/07/33/03/181073303.db2.gz YIVHOLITJPZWJI-AWEZNQCLSA-N 1 0 305.422 3.081 50 0 DGAARO Cc1ccccc1CC[NH2+]Cc1cc2cccc(C)c2[nH]c1=O ZINC000004160532 181079415 /nfs/dbraw/zinc/07/94/15/181079415.db2.gz CFVCBACLDWMPBK-UHFFFAOYSA-N 1 0 306.409 3.477 50 0 DGAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC2)c1ccccc1 ZINC000004263204 181089057 /nfs/dbraw/zinc/08/90/57/181089057.db2.gz BPKGMOLMHLPQOF-HNAYVOBHSA-N 1 0 311.425 3.266 50 0 DGAARO CC[NH+](CC)CCCNC(=O)c1c(C)onc1-c1ccccc1 ZINC000004265244 181089979 /nfs/dbraw/zinc/08/99/79/181089979.db2.gz KESYMZGQZNWVLV-UHFFFAOYSA-N 1 0 315.417 3.112 50 0 DGAARO CCC[NH+](CCC)C[C@H](O)COc1ccc(C(=O)CC)cc1 ZINC000004320416 181097130 /nfs/dbraw/zinc/09/71/30/181097130.db2.gz XHFSRQFGNRKLAT-INIZCTEOSA-N 1 0 307.434 3.141 50 0 DGAARO CCC[NH+]1CCC(Cc2noc(-c3cccc(O)c3C)n2)CC1 ZINC000067771602 432038795 /nfs/dbraw/zinc/03/87/95/432038795.db2.gz UVXBWMXJTYIIBP-UHFFFAOYSA-N 1 0 315.417 3.415 50 0 DGAARO O=C(NCC[NH2+]C1CCC(c2ccccc2)CC1)c1ccco1 ZINC000004498168 181115582 /nfs/dbraw/zinc/11/55/82/181115582.db2.gz UKSNLGTURCEIGF-UHFFFAOYSA-N 1 0 312.413 3.325 50 0 DGAARO [NH3+]CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1F ZINC000067756513 432039823 /nfs/dbraw/zinc/03/98/23/432039823.db2.gz KHHWTAQQWAHOJI-UHFFFAOYSA-N 1 0 312.266 3.409 50 0 DGAARO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000004746256 181146680 /nfs/dbraw/zinc/14/66/80/181146680.db2.gz TUUINEWAZSNRQR-SFHVURJKSA-N 1 0 300.446 3.220 50 0 DGAARO CC(C)=CC(=O)NCC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000067821162 432042129 /nfs/dbraw/zinc/04/21/29/432042129.db2.gz HFXQQNBKOMFXAZ-ZDUSSCGKSA-N 1 0 306.372 3.123 50 0 DGAARO Cc1ccc2c(CC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)coc2c1 ZINC000067856704 432044456 /nfs/dbraw/zinc/04/44/56/432044456.db2.gz ZEHRHZVQYZXSEA-HNNXBMFYSA-N 1 0 314.429 3.132 50 0 DGAARO CC(=O)c1ccccc1OCCOCC[N@H+]1CCC[C@H](C)C1 ZINC000004868852 181166499 /nfs/dbraw/zinc/16/64/99/181166499.db2.gz MNXAAPKKJAHERF-HNNXBMFYSA-N 1 0 305.418 3.017 50 0 DGAARO Cc1nc(N[C@@H](C)c2ncccc2C)cc(C2CC[NH2+]CC2)n1 ZINC000067881386 432045060 /nfs/dbraw/zinc/04/50/60/432045060.db2.gz MSRWZVPXTAFYEI-ZDUSSCGKSA-N 1 0 311.433 3.129 50 0 DGAARO CCc1nc(C)sc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000067884223 432045219 /nfs/dbraw/zinc/04/52/19/432045219.db2.gz REQZVZHONJJQCO-INIZCTEOSA-N 1 0 315.486 3.378 50 0 DGAARO Cc1ccc(O)c(C[NH+]2CCC(c3cc(C(C)C)n[nH]3)CC2)n1 ZINC000067872100 432045302 /nfs/dbraw/zinc/04/53/02/432045302.db2.gz RUAITGGOYNJMIU-UHFFFAOYSA-N 1 0 314.433 3.322 50 0 DGAARO FC(F)(F)c1ccccc1Cc1cccc([C@H]2C[NH2+]CCO2)n1 ZINC000074941202 191392613 /nfs/dbraw/zinc/39/26/13/191392613.db2.gz KDXVJQXQVXHLKC-MRXNPFEDSA-N 1 0 322.330 3.352 50 0 DGAARO COCC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCCCCCC3)C2)C1 ZINC000067955408 432048160 /nfs/dbraw/zinc/04/81/60/432048160.db2.gz HXCMKTXLVKOOBL-IBGZPJMESA-N 1 0 322.493 3.060 50 0 DGAARO COc1cccc(NC2CCN(CC[NH+]3CCCCC3)CC2)c1 ZINC000077286612 191686710 /nfs/dbraw/zinc/68/67/10/191686710.db2.gz GXXAWKOUDRAGFG-UHFFFAOYSA-N 1 0 317.477 3.057 50 0 DGAARO CC(=O)N(CCC[NH+](C)C)c1nc2c(cccc2Cl)s1 ZINC000005122421 181205722 /nfs/dbraw/zinc/20/57/22/181205722.db2.gz BVPULTFRNJBCDC-UHFFFAOYSA-N 1 0 311.838 3.254 50 0 DGAARO COc1ccc(/C=C/C(=O)O[C@@H]2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000005524621 181253015 /nfs/dbraw/zinc/25/30/15/181253015.db2.gz YFCDMEJSQRDGGK-PZQFMBMYSA-N 1 0 317.429 3.372 50 0 DGAARO CSc1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000081053101 192220290 /nfs/dbraw/zinc/22/02/90/192220290.db2.gz RANJRSQPDPEOPS-UONOGXRCSA-N 1 0 305.447 3.109 50 0 DGAARO Cc1cccc(OCC(=O)OCC[N@@H+](C)Cc2ccccc2)c1 ZINC000005796103 181284992 /nfs/dbraw/zinc/28/49/92/181284992.db2.gz QKCGPPYQFDHMKR-UHFFFAOYSA-N 1 0 313.397 3.049 50 0 DGAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000178977533 198963009 /nfs/dbraw/zinc/96/30/09/198963009.db2.gz XVKKJGAOYFIWEP-OAHLLOKOSA-N 1 0 310.397 3.160 50 0 DGAARO O=C(Nc1ccc(Sc2ccncc2)cc1)C1CC[NH2+]CC1 ZINC000170593121 432072731 /nfs/dbraw/zinc/07/27/31/432072731.db2.gz DPFVKVKFDMGEET-UHFFFAOYSA-N 1 0 313.426 3.171 50 0 DGAARO C[C@@H]1CN(CC[NH+]2CCC(CCc3ccccc3)CC2)CCO1 ZINC000170607358 432074063 /nfs/dbraw/zinc/07/40/63/432074063.db2.gz FNVCYYJVNBETEV-GOSISDBHSA-N 1 0 316.489 3.052 50 0 DGAARO C[C@H]1C[C@H](Nc2ncnc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000170661422 432075232 /nfs/dbraw/zinc/07/52/32/432075232.db2.gz CYOWQJRTKVTHRN-ZFWWWQNUSA-N 1 0 307.401 3.033 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1cccc(Cl)c1Cl ZINC000237405510 202255601 /nfs/dbraw/zinc/25/56/01/202255601.db2.gz NPFHHHUMLWIKLU-PLWSPRCSSA-N 1 0 313.228 3.345 50 0 DGAARO Cc1csc(-c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)cc2)n1 ZINC000237421209 202261415 /nfs/dbraw/zinc/26/14/15/202261415.db2.gz VOYRBDDPQFYJLQ-IUODEOHRSA-N 1 0 315.442 3.070 50 0 DGAARO Cn1cccc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180802638 199211056 /nfs/dbraw/zinc/21/10/56/199211056.db2.gz GXFLOKSCMHMJEF-ZDUSSCGKSA-N 1 0 312.339 3.078 50 0 DGAARO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000237542706 202276698 /nfs/dbraw/zinc/27/66/98/202276698.db2.gz RNUXKOBCHFLDNU-SUMWQHHRSA-N 1 0 312.388 3.303 50 0 DGAARO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000237573300 202287940 /nfs/dbraw/zinc/28/79/40/202287940.db2.gz RNUXKOBCHFLDNU-GUYCJALGSA-N 1 0 312.388 3.303 50 0 DGAARO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000188134181 200199281 /nfs/dbraw/zinc/19/92/81/200199281.db2.gz JTMVQGCNLRJJCZ-UKRRQHHQSA-N 1 0 317.383 3.159 50 0 DGAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188409469 200240911 /nfs/dbraw/zinc/24/09/11/200240911.db2.gz OGOWBORSPNYYBX-IBGZPJMESA-N 1 0 321.428 3.042 50 0 DGAARO O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000237881627 202377081 /nfs/dbraw/zinc/37/70/81/202377081.db2.gz QFDMOWPQTDODRE-NVXWUHKLSA-N 1 0 314.816 3.155 50 0 DGAARO Cc1cc(NC2CCOCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000188701672 200291028 /nfs/dbraw/zinc/29/10/28/200291028.db2.gz NWBVZGMVKKGSSH-UHFFFAOYSA-N 1 0 317.477 3.116 50 0 DGAARO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000194941026 201314130 /nfs/dbraw/zinc/31/41/30/201314130.db2.gz LMLHTAWCJBDARA-INIZCTEOSA-N 1 0 305.378 3.111 50 0 DGAARO CCc1nn(C)c(OC)c1CNCc1ccc(C)c(Cl)c1 ZINC000195449259 201391336 /nfs/dbraw/zinc/39/13/36/201391336.db2.gz JCBFGLFNEIRWDU-UHFFFAOYSA-N 1 0 307.825 3.243 50 0 DGAARO Cc1nc2c(s1)[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)CCC2 ZINC000090891121 192942050 /nfs/dbraw/zinc/94/20/50/192942050.db2.gz GTZXKYHIVIGPQP-RHSMWYFYSA-N 1 0 320.433 3.465 50 0 DGAARO OC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CCOCC1 ZINC000449126777 240029081 /nfs/dbraw/zinc/02/90/81/240029081.db2.gz NBFAARHLMMHFAG-RDJZCZTQSA-N 1 0 323.864 3.182 50 0 DGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCSc2ccc(C)cc2)C1 ZINC000006703271 181374184 /nfs/dbraw/zinc/37/41/84/181374184.db2.gz NCLDUOJVQKYKQU-OAHLLOKOSA-N 1 0 307.459 3.362 50 0 DGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC000006702129 181373594 /nfs/dbraw/zinc/37/35/94/181373594.db2.gz GVQSISXOUIWZQB-INIZCTEOSA-N 1 0 305.418 3.039 50 0 DGAARO C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000449338300 240140823 /nfs/dbraw/zinc/14/08/23/240140823.db2.gz VAQHGYMNCCVPMO-GDBMZVCRSA-N 1 0 302.393 3.466 50 0 DGAARO CC(C)(CO)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000006703399 181374466 /nfs/dbraw/zinc/37/44/66/181374466.db2.gz HBAUYTXHWVBYLS-UHFFFAOYSA-N 1 0 303.377 3.265 50 0 DGAARO CCC[NH+]1CCC(NC(=O)Nc2ccccc2OCC)CC1 ZINC000006730054 181378273 /nfs/dbraw/zinc/37/82/73/181378273.db2.gz HSTJXXMYJTUSGP-UHFFFAOYSA-N 1 0 305.422 3.081 50 0 DGAARO O[C@H](C[NH2+][C@H]1CCCc2ccccc21)COCc1cccs1 ZINC000006936610 181408459 /nfs/dbraw/zinc/40/84/59/181408459.db2.gz ILAGAXNGVKOPJC-QAPCUYQASA-N 1 0 317.454 3.293 50 0 DGAARO CC[C@H]([NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1)c1cccnc1 ZINC000091365245 193046101 /nfs/dbraw/zinc/04/61/01/193046101.db2.gz AHTIYBMYOMRPIV-INIZCTEOSA-N 1 0 311.360 3.303 50 0 DGAARO C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3Cl)c2)CC[C@]1(C)O ZINC000091657048 193085506 /nfs/dbraw/zinc/08/55/06/193085506.db2.gz LQHZZYUGAOYSFC-DYVFJYSZSA-N 1 0 319.836 3.119 50 0 DGAARO COCC[C@]1(O)CC[N@H+](Cc2cccc(SC)c2)C[C@H]1C ZINC000091656866 193085627 /nfs/dbraw/zinc/08/56/27/193085627.db2.gz CUGNVTIWSMCJAD-RHSMWYFYSA-N 1 0 309.475 3.018 50 0 DGAARO C[C@H](c1cc(F)cc(F)c1)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091625295 193080294 /nfs/dbraw/zinc/08/02/94/193080294.db2.gz FGEWDZNODKCPSZ-GFCCVEGCSA-N 1 0 308.372 3.018 50 0 DGAARO [NH3+][C@H]1CN(C(=O)CCCc2cccs2)C[C@@H]1c1ccccc1 ZINC000091987055 193136893 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O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCc2ccccc2C1 ZINC000095356621 193428030 /nfs/dbraw/zinc/42/80/30/193428030.db2.gz LHQJPLQZOFMJPB-LJQANCHMSA-N 1 0 320.436 3.352 50 0 DGAARO Clc1ccc(-n2ncnc2[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000095357057 193429102 /nfs/dbraw/zinc/42/91/02/193429102.db2.gz UMWUCTGJCUNBOJ-LLVKDONJSA-N 1 0 323.227 3.431 50 0 DGAARO COc1cccc([C@H]2CCN2C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000095388537 193442465 /nfs/dbraw/zinc/44/24/65/193442465.db2.gz ZHPILZVRTQZOOR-GOSISDBHSA-N 1 0 316.445 3.089 50 0 DGAARO Cc1nn(C)c2nc(NCC3([NH+](C)C)CCCCC3)sc12 ZINC000095504347 193445111 /nfs/dbraw/zinc/44/51/11/193445111.db2.gz QUYIVJCXHDUHNS-UHFFFAOYSA-N 1 0 307.467 3.015 50 0 DGAARO CC(C)CSC[C@@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000095968083 193465584 /nfs/dbraw/zinc/46/55/84/193465584.db2.gz XPVHXHBCNCXZJV-ZBFHGGJFSA-N 1 0 320.502 3.439 50 0 DGAARO Cc1ccc(-c2nc([C@H]3CC[NH2+]C3)n(Cc3cccc(C)c3)n2)o1 ZINC000096148664 193552415 /nfs/dbraw/zinc/55/24/15/193552415.db2.gz 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/nfs/dbraw/zinc/69/04/58/193690458.db2.gz NIPAKLQZUUTFDX-UHFFFAOYSA-N 1 0 306.413 3.348 50 0 DGAARO c1csc(N2CCC([NH2+]Cc3cccc4cccnc43)CC2)n1 ZINC000097237695 193696767 /nfs/dbraw/zinc/69/67/67/193696767.db2.gz FSXKPVLJSNDJBF-UHFFFAOYSA-N 1 0 324.453 3.450 50 0 DGAARO O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000015581109 182007939 /nfs/dbraw/zinc/00/79/39/182007939.db2.gz IOSJLVPVQQIPHW-UHFFFAOYSA-N 1 0 316.351 3.381 50 0 DGAARO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000015860224 182022533 /nfs/dbraw/zinc/02/25/33/182022533.db2.gz BLSOOYFQUGCFJF-INIZCTEOSA-N 1 0 316.376 3.294 50 0 DGAARO Cc1ccc(O[C@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000016580630 182050954 /nfs/dbraw/zinc/05/09/54/182050954.db2.gz JJPDATGOYOTMKR-MRXNPFEDSA-N 1 0 318.461 3.060 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000016605835 182053065 /nfs/dbraw/zinc/05/30/65/182053065.db2.gz KNQYMOLZLUVUIP-CYBMUJFWSA-N 1 0 320.502 3.476 50 0 DGAARO CCc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000016672149 182057356 /nfs/dbraw/zinc/05/73/56/182057356.db2.gz IAIHXPIOAZBTLB-MSOLQXFVSA-N 1 0 308.425 3.030 50 0 DGAARO CC(C)[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000016695463 182057974 /nfs/dbraw/zinc/05/79/74/182057974.db2.gz QVCGUUPUKLDRIL-KRWDZBQOSA-N 1 0 304.365 3.022 50 0 DGAARO CC(C)[C@@H]1C[C@@](CC[NH+]2CCOCC2)(c2ccccc2)CCO1 ZINC000019285843 182111571 /nfs/dbraw/zinc/11/15/71/182111571.db2.gz MUKCJNDMGIMBET-PMACEKPBSA-N 1 0 317.473 3.482 50 0 DGAARO CC(C)(C)c1ccccc1OCCCCCN1CC[NH2+]CC1 ZINC000019370736 182120186 /nfs/dbraw/zinc/12/01/86/182120186.db2.gz PNIGQLHRNLKUER-UHFFFAOYSA-N 1 0 304.478 3.438 50 0 DGAARO CC[NH+](CC)CCN(C)Cc1ccc(F)c(Br)c1 ZINC000019637328 182134281 /nfs/dbraw/zinc/13/42/81/182134281.db2.gz KQUNANBEZDNCSN-UHFFFAOYSA-N 1 0 317.246 3.362 50 0 DGAARO COc1cccc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000019788171 182148513 /nfs/dbraw/zinc/14/85/13/182148513.db2.gz UUVVFTHEEURCEN-FUHWJXTLSA-N 1 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302.418 3.097 50 0 DGAARO CCN1CC[NH+](CCCCOc2cc(C)cc(C)c2C)CC1 ZINC000020390358 182213548 /nfs/dbraw/zinc/21/35/48/182213548.db2.gz VMDVTNXBPCLYSH-UHFFFAOYSA-N 1 0 304.478 3.408 50 0 DGAARO CSc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000020564007 182232145 /nfs/dbraw/zinc/23/21/45/182232145.db2.gz WTVZWFMXUMPQMR-AWEZNQCLSA-N 1 0 305.447 3.111 50 0 DGAARO CC(C)NC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000020719543 182243688 /nfs/dbraw/zinc/24/36/88/182243688.db2.gz TVLJUEIXXXYHHR-UHFFFAOYSA-N 1 0 308.425 3.232 50 0 DGAARO OCC[C@H]1C[N@H+](CC2CCCCC2)CCN1Cc1cccs1 ZINC000020918258 182253704 /nfs/dbraw/zinc/25/37/04/182253704.db2.gz NYYMKLCDRXYNCF-KRWDZBQOSA-N 1 0 322.518 3.197 50 0 DGAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000021319057 182271338 /nfs/dbraw/zinc/27/13/38/182271338.db2.gz RGCPQZRBIFUPAJ-UHFFFAOYSA-N 1 0 323.440 3.308 50 0 DGAARO c1ccc2sc(N3CCN(Cc4cccnc4)CC3)nc2c1 ZINC000022092347 182308582 /nfs/dbraw/zinc/30/85/82/182308582.db2.gz DALDSYUAWGWMDK-UHFFFAOYSA-N 1 0 310.426 3.014 50 0 DGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)o1 ZINC000022464321 182322733 /nfs/dbraw/zinc/32/27/33/182322733.db2.gz OGNINUULURUOPV-AWEZNQCLSA-N 1 0 318.804 3.500 50 0 DGAARO c1ccc(Cn2nc(C[NH2+]C3CC3)c(-c3ccccc3)n2)cc1 ZINC000035287300 182766984 /nfs/dbraw/zinc/76/69/84/182766984.db2.gz XHTAEIQKBNXWGA-UHFFFAOYSA-N 1 0 304.397 3.245 50 0 DGAARO CC[NH+](CC)CCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000042845196 284629381 /nfs/dbraw/zinc/62/93/81/284629381.db2.gz NAWBTRSAHGZMHH-MRXNPFEDSA-N 1 0 307.413 3.014 50 0 DGAARO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000040007539 183027215 /nfs/dbraw/zinc/02/72/15/183027215.db2.gz LEUHXAYTWNNPRS-XJKSGUPXSA-N 1 0 321.442 3.228 50 0 DGAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000039279939 183015611 /nfs/dbraw/zinc/01/56/11/183015611.db2.gz UPZSJPYZHASUHV-UHFFFAOYSA-N 1 0 314.216 3.378 50 0 DGAARO C[NH+](C)C1(CNC(=O)CCc2ccc(Cl)cc2)CCCC1 ZINC000040092707 183033743 /nfs/dbraw/zinc/03/37/43/183033743.db2.gz QECVHQCDTNASEU-UHFFFAOYSA-N 1 0 308.853 3.263 50 0 DGAARO CSc1ccccc1C(=O)NCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040107572 183036077 /nfs/dbraw/zinc/03/60/77/183036077.db2.gz MJKYGBUBLWJEDC-OKILXGFUSA-N 1 0 306.475 3.116 50 0 DGAARO Cc1cccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)NC4CC4)CC3)c21 ZINC000040118736 183037685 /nfs/dbraw/zinc/03/76/85/183037685.db2.gz DHIJWYAUWHVZSU-AWEZNQCLSA-N 1 0 323.440 3.233 50 0 DGAARO COc1cccc([C@@H](CNC(=O)/C=C/c2ccccc2)[NH+](C)C)c1 ZINC000041800117 183220772 /nfs/dbraw/zinc/22/07/72/183220772.db2.gz GTXZTJKYPIHWTQ-JXOMPUQVSA-N 1 0 324.424 3.128 50 0 DGAARO O=C(OCc1ccccc1)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773692 183307088 /nfs/dbraw/zinc/30/70/88/183307088.db2.gz SUUGIYQSDRVLQW-MRXNPFEDSA-N 1 0 311.381 3.032 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccncc1 ZINC000043136980 183340648 /nfs/dbraw/zinc/34/06/48/183340648.db2.gz RPBMLBNJRYPJNO-OAHLLOKOSA-N 1 0 314.389 3.023 50 0 DGAARO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000052537329 183863427 /nfs/dbraw/zinc/86/34/27/183863427.db2.gz NTMUKDVVDLGCFL-UHFFFAOYSA-N 1 0 310.731 3.347 50 0 DGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccncc1 ZINC000054219193 183929312 /nfs/dbraw/zinc/92/93/12/183929312.db2.gz SAOOYZODHNZQSY-AWEZNQCLSA-N 1 0 316.430 3.102 50 0 DGAARO CCN(CC)c1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000058164913 184083401 /nfs/dbraw/zinc/08/34/01/184083401.db2.gz TUDJBDREWGYEIF-UHFFFAOYSA-N 1 0 303.450 3.203 50 0 DGAARO C[C@@H](NC[C@@H](c1cccs1)[NH+](C)C)c1nc(C(C)(C)C)no1 ZINC000058177852 184085015 /nfs/dbraw/zinc/08/50/15/184085015.db2.gz ZIHBTYHLFJUPRP-NEPJUHHUSA-N 1 0 322.478 3.382 50 0 DGAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000058193226 184086631 /nfs/dbraw/zinc/08/66/31/184086631.db2.gz RGQKLYKPHXWULL-OAHLLOKOSA-N 1 0 314.454 3.390 50 0 DGAARO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000058133229 184079436 /nfs/dbraw/zinc/07/94/36/184079436.db2.gz MECNXYWPXWSWFP-LBPRGKRZSA-N 1 0 314.360 3.145 50 0 DGAARO CSc1ccc(C[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000058137958 184079912 /nfs/dbraw/zinc/07/99/12/184079912.db2.gz VGUPVJXPUDVTNZ-UHFFFAOYSA-N 1 0 316.474 3.059 50 0 DGAARO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000058146366 184081152 /nfs/dbraw/zinc/08/11/52/184081152.db2.gz BDPKKAHHFPGCEV-LLVKDONJSA-N 1 0 320.339 3.263 50 0 DGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000058392556 184111905 /nfs/dbraw/zinc/11/19/05/184111905.db2.gz LAOQSNJBTXDGEK-JTQLQIEISA-N 1 0 312.870 3.360 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccccn3)C2)CC1 ZINC000058247465 184095050 /nfs/dbraw/zinc/09/50/50/184095050.db2.gz TYWOXXDJBYLMAV-INIZCTEOSA-N 1 0 316.449 3.057 50 0 DGAARO COc1ccccc1-c1noc(C[N@H+](CC(C)C)C2CC2)n1 ZINC000058291103 184100759 /nfs/dbraw/zinc/10/07/59/184100759.db2.gz ASRSJVHNPACZCV-UHFFFAOYSA-N 1 0 301.390 3.366 50 0 DGAARO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)c1ccc(OC(F)F)cc1 ZINC000058292064 184101194 /nfs/dbraw/zinc/10/11/94/184101194.db2.gz BFLXVDJODAYUEX-LRDDRELGSA-N 1 0 322.355 3.200 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cccc1F)c1ccco1 ZINC000058316641 184104481 /nfs/dbraw/zinc/10/44/81/184104481.db2.gz RUZGWBGNHFARKF-CQSZACIVSA-N 1 0 322.355 3.371 50 0 DGAARO Cc1ccccc1C[NH+]1CCN(c2nc3cccnc3s2)CC1 ZINC000058327667 184105619 /nfs/dbraw/zinc/10/56/19/184105619.db2.gz NNVYVMQGPQLAFG-UHFFFAOYSA-N 1 0 324.453 3.322 50 0 DGAARO Brc1cccc(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000058405701 184113904 /nfs/dbraw/zinc/11/39/04/184113904.db2.gz KLPDGBNGHWWRPP-UHFFFAOYSA-N 1 0 309.251 3.119 50 0 DGAARO Cc1cccc(NC(=O)N2CC[NH+](C3CCSCC3)CC2)c1 ZINC000059916447 184142189 /nfs/dbraw/zinc/14/21/89/184142189.db2.gz LIDCBFJDIVRMLM-UHFFFAOYSA-N 1 0 319.474 3.040 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000269104232 207244403 /nfs/dbraw/zinc/24/44/03/207244403.db2.gz HVHJQVMTDGXPHG-CYBMUJFWSA-N 1 0 308.853 3.076 50 0 DGAARO O=C1CCCN1C[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000065394032 184334776 /nfs/dbraw/zinc/33/47/76/184334776.db2.gz UJTTYPDCZUCRJZ-HNNXBMFYSA-N 1 0 312.413 3.267 50 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C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000368277738 257242148 /nfs/dbraw/zinc/24/21/48/257242148.db2.gz UOGYUZBFSODYRA-GOSISDBHSA-N 1 0 324.424 3.042 50 0 DGAARO COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000073350856 257253639 /nfs/dbraw/zinc/25/36/39/257253639.db2.gz BKBYWEQBTCXFKS-OAHLLOKOSA-N 1 0 312.369 3.178 50 0 DGAARO C/C=C1\C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000045229185 257269912 /nfs/dbraw/zinc/26/99/12/257269912.db2.gz VBKQRUUVDAWDIP-JPRQZJFESA-N 1 0 310.397 3.014 50 0 DGAARO Cc1[nH]ccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000075105094 257271186 /nfs/dbraw/zinc/27/11/86/257271186.db2.gz QGJNVDQHOKYHSW-AWEZNQCLSA-N 1 0 317.458 3.027 50 0 DGAARO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000095961919 288765417 /nfs/dbraw/zinc/76/54/17/288765417.db2.gz CJVLKOWSASLNRI-KBXIAJHMSA-N 1 0 301.496 3.147 50 0 DGAARO Cc1cc(N2CCN(C(=O)c3cc(C)c(C)cc3C)CC2)cc[nH+]1 ZINC000019148441 134532780 /nfs/dbraw/zinc/53/27/80/134532780.db2.gz GSBIBMIAVCBQGD-UHFFFAOYSA-N 1 0 323.440 3.278 50 0 DGAARO c1cc2ncnc(N3CC[NH+](CCc4ccccc4)CC3)c2s1 ZINC000024717720 134661082 /nfs/dbraw/zinc/66/10/82/134661082.db2.gz ZHPRVTHNGVXLKL-UHFFFAOYSA-N 1 0 324.453 3.056 50 0 DGAARO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)c1nc2cc(Cl)ccc2n1C ZINC000091349004 545836984 /nfs/dbraw/zinc/83/69/84/545836984.db2.gz FBGVKAKTBFMQSU-RWSFTLGLSA-N 1 0 307.825 3.038 50 0 DGAARO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccsc1 ZINC000090914404 400082301 /nfs/dbraw/zinc/08/23/01/400082301.db2.gz RJKKNJYGGPSMDZ-QGTPRVQTSA-N 1 0 316.470 3.034 50 0 DGAARO Cc1nccn1CC[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000584900534 400123204 /nfs/dbraw/zinc/12/32/04/400123204.db2.gz BURZDGCSTSVMFM-KRWDZBQOSA-N 1 0 312.461 3.101 50 0 DGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H]3C=CCC3)CC2)o1 ZINC000584897620 400123323 /nfs/dbraw/zinc/12/33/23/400123323.db2.gz PPMJEBGIFKWQJA-MRXNPFEDSA-N 1 0 316.445 3.273 50 0 DGAARO c1oc(-c2ccccc2)nc1C[NH2+]C1CSCCSC1 ZINC000584901689 400124141 /nfs/dbraw/zinc/12/41/41/400124141.db2.gz VRWKGPJOSOPOLY-UHFFFAOYSA-N 1 0 306.456 3.280 50 0 DGAARO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ncc(Cl)n1C ZINC000585134726 400126946 /nfs/dbraw/zinc/12/69/46/400126946.db2.gz HPBPOGIFLMZVMR-STQMWFEESA-N 1 0 322.840 3.154 50 0 DGAARO Cc1ccc2occ(C[N@H+](C)CCc3ccccn3)c(=O)c2c1 ZINC000019633734 400186940 /nfs/dbraw/zinc/18/69/40/400186940.db2.gz IUBHXFKFVZUZTF-UHFFFAOYSA-N 1 0 308.381 3.171 50 0 DGAARO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)s1 ZINC000025552998 400239200 /nfs/dbraw/zinc/23/92/00/400239200.db2.gz VCXPLKXZDSSLFF-UHFFFAOYSA-N 1 0 302.443 3.308 50 0 DGAARO C[C@@H](C[NH+]1CCC(n2cncn2)CC1)c1cccc(Cl)c1 ZINC000097103862 400283075 /nfs/dbraw/zinc/28/30/75/400283075.db2.gz KNOCYDKTFAMGOB-ZDUSSCGKSA-N 1 0 304.825 3.372 50 0 DGAARO COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CCSC3)CCN2C2CC2)c1 ZINC000097234013 400284410 /nfs/dbraw/zinc/28/44/10/400284410.db2.gz XYEMDGFQZUDOKC-ZTFGCOKTSA-N 1 0 318.486 3.068 50 0 DGAARO COC(=O)CC[N@H+](Cc1ccccc1)CC1(SC)CCC1 ZINC000589496284 400300418 /nfs/dbraw/zinc/30/04/18/400300418.db2.gz FYNHEHHZAGLKPA-UHFFFAOYSA-N 1 0 307.459 3.337 50 0 DGAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1sccc1SC(F)F ZINC000072271273 400376836 /nfs/dbraw/zinc/37/68/36/400376836.db2.gz ADQOYTBRTBGIEW-VIFPVBQESA-N 1 0 320.430 3.087 50 0 DGAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000072268637 400376973 /nfs/dbraw/zinc/37/69/73/400376973.db2.gz XAXNDIMJIMNTIS-HOTGVXAUSA-N 1 0 306.475 3.156 50 0 DGAARO C[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1CCCN1CCOC1=O ZINC000075109387 400559982 /nfs/dbraw/zinc/55/99/82/400559982.db2.gz HQAFTCYKIJCWSG-DOTOQJQBSA-N 1 0 302.418 3.444 50 0 DGAARO CCCCCC(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000075107362 400560712 /nfs/dbraw/zinc/56/07/12/400560712.db2.gz VAXSVYPLRGAEBD-QZTJIDSGSA-N 1 0 300.446 3.157 50 0 DGAARO Cc1ccc(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)cc1F ZINC000141269908 400623275 /nfs/dbraw/zinc/62/32/75/400623275.db2.gz CBVFZJHLEMBCOO-UHFFFAOYSA-N 1 0 312.388 3.172 50 0 DGAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000076057583 400630728 /nfs/dbraw/zinc/63/07/28/400630728.db2.gz LIYAOAANQPSUKT-RHSMWYFYSA-N 1 0 313.445 3.151 50 0 DGAARO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1 ZINC000076057835 400630969 /nfs/dbraw/zinc/63/09/69/400630969.db2.gz MXTPKQDZTBAJJU-QAPCUYQASA-N 1 0 302.462 3.232 50 0 DGAARO O=[N+]1C(c2ccco2)=C(c2ccco2)N(O)[C@H]2CCCC[C@H]21 ZINC000137211706 400593774 /nfs/dbraw/zinc/59/37/74/400593774.db2.gz ZMWONAZNKRDQRX-NWDGAFQWSA-N 1 0 301.322 3.493 50 0 DGAARO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000170642699 400768783 /nfs/dbraw/zinc/76/87/83/400768783.db2.gz QSYLDVOCPYXICR-HUUCEWRRSA-N 1 0 317.351 3.268 50 0 DGAARO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000078806273 400827017 /nfs/dbraw/zinc/82/70/17/400827017.db2.gz CMJKVLSFQJXDRP-CQSZACIVSA-N 1 0 307.825 3.349 50 0 DGAARO c1nn(-c2ccccc2)c2c1C[NH+]=C(N1CCCCCCC1)N2 ZINC000078822833 400829095 /nfs/dbraw/zinc/82/90/95/400829095.db2.gz OJEWUKFIEBEDMD-UHFFFAOYSA-N 1 0 309.417 3.229 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000078897523 400831813 /nfs/dbraw/zinc/83/18/13/400831813.db2.gz BMMHAQMJIKXXJH-WBMJQRKESA-N 1 0 318.392 3.309 50 0 DGAARO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)C1 ZINC000195541113 400924212 /nfs/dbraw/zinc/92/42/12/400924212.db2.gz ZMYPPYZYMBRJPI-OFQRWUPVSA-N 1 0 306.475 3.302 50 0 DGAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000195553834 400925013 /nfs/dbraw/zinc/92/50/13/400925013.db2.gz DXCXTBREVZEQFX-AOIWGVFYSA-N 1 0 323.440 3.065 50 0 DGAARO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000089262178 401213271 /nfs/dbraw/zinc/21/32/71/401213271.db2.gz BNBPVWPBKBSWPQ-BBLCHGJFSA-N 1 0 308.429 3.139 50 0 DGAARO CC(C)n1cc2cc(C(=O)NCCC[NH+]3CCCC3)sc2c1 ZINC000065285527 401263465 /nfs/dbraw/zinc/26/34/65/401263465.db2.gz VCJWRWSYOXYEAK-UHFFFAOYSA-N 1 0 319.474 3.499 50 0 DGAARO CC(C)Oc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066159631 401294028 /nfs/dbraw/zinc/29/40/28/401294028.db2.gz RNBOOECQCVLRET-OAHLLOKOSA-N 1 0 317.433 3.176 50 0 DGAARO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)nc(C)n1 ZINC000623406617 401509143 /nfs/dbraw/zinc/50/91/43/401509143.db2.gz DVBFJYNZYCNQLV-NBMRYCAZSA-N 1 0 314.477 3.086 50 0 DGAARO Cc1cccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624181584 401635671 /nfs/dbraw/zinc/63/56/71/401635671.db2.gz VDCDEUGVPZVMIS-HOTGVXAUSA-N 1 0 303.450 3.087 50 0 DGAARO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000071376526 292336263 /nfs/dbraw/zinc/33/62/63/292336263.db2.gz SSDOPZRMMYGFAY-MRXNPFEDSA-N 1 0 316.445 3.055 50 0 DGAARO Cc1ccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172651809 432225187 /nfs/dbraw/zinc/22/51/87/432225187.db2.gz BGTULQYRECOSAX-UHFFFAOYSA-N 1 0 315.461 3.155 50 0 DGAARO Cc1cc(Cl)ccc1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000136899038 196557000 /nfs/dbraw/zinc/55/70/00/196557000.db2.gz FLHCGTXVYIVHKQ-UHFFFAOYSA-N 1 0 308.853 3.339 50 0 DGAARO Cc1ccc2cc(C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)c(C)nc2c1 ZINC000299739070 229371461 /nfs/dbraw/zinc/37/14/61/229371461.db2.gz KCIHKEUBWVWZQF-CZUORRHYSA-N 1 0 311.429 3.051 50 0 DGAARO CC(=O)Nc1ccc(CC[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000078411696 262500817 /nfs/dbraw/zinc/50/08/17/262500817.db2.gz NOMYWSWQLGJYEA-UHFFFAOYSA-N 1 0 304.340 3.256 50 0 DGAARO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C)nc1C ZINC000346234120 263992135 /nfs/dbraw/zinc/99/21/35/263992135.db2.gz JNZCXNFJBMYMGB-UHFFFAOYSA-N 1 0 317.477 3.427 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000426387155 274284886 /nfs/dbraw/zinc/28/48/86/274284886.db2.gz VXKXCKUUSIVOMP-GFCCVEGCSA-N 1 0 316.376 3.271 50 0 DGAARO Cc1ccc2nc(C)c(C)c(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)c2c1 ZINC000095506801 274783750 /nfs/dbraw/zinc/78/37/50/274783750.db2.gz NRTNHOLPBMJASB-CVEARBPZSA-N 1 0 323.440 3.127 50 0 DGAARO Cc1ccccc1Cc1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000252516741 274807417 /nfs/dbraw/zinc/80/74/17/274807417.db2.gz WHWVQOARFKSCHT-UHFFFAOYSA-N 1 0 306.413 3.255 50 0 DGAARO O=C1Nc2ccccc2[C@@H]1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000009041425 275026115 /nfs/dbraw/zinc/02/61/15/275026115.db2.gz YGURMDITZSVQME-SJLPKXTDSA-N 1 0 303.365 3.091 50 0 biogenic DGAARO O=C1OCCN1CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000067962643 275026613 /nfs/dbraw/zinc/02/66/13/275026613.db2.gz BBDKLKDHBCKXJA-IBGZPJMESA-N 1 0 322.408 3.086 50 0 DGAARO OC[C@]1(O)CCC[N@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC000072151332 275050466 /nfs/dbraw/zinc/05/04/66/275050466.db2.gz CPSHLUCZKNJZJK-FQEVSTJZSA-N 1 0 311.425 3.063 50 0 DGAARO c1nc(C2CC2)cc(N2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000077537725 275075622 /nfs/dbraw/zinc/07/56/22/275075622.db2.gz CRACEKACNHNTHG-UHFFFAOYSA-N 1 0 300.450 3.199 50 0 DGAARO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000238853272 275520795 /nfs/dbraw/zinc/52/07/95/275520795.db2.gz IWJGXWXLGKKCJJ-UKRRQHHQSA-N 1 0 308.397 3.125 50 0 DGAARO CC(C)n1ccnc1C1CCN(C[C@@H](C)[NH+]2CCCC2)CC1 ZINC000244787516 276085753 /nfs/dbraw/zinc/08/57/53/276085753.db2.gz PYLMJTMMLWIIDM-MRXNPFEDSA-N 1 0 304.482 3.128 50 0 DGAARO CCN(Cc1ccco1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043145943 276143073 /nfs/dbraw/zinc/14/30/73/276143073.db2.gz NUFVPTLTNQYZCJ-AWEZNQCLSA-N 1 0 321.446 3.176 50 0 DGAARO C=C1[NH+]=C(SCC)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000000151205 276274039 /nfs/dbraw/zinc/27/40/39/276274039.db2.gz GBMVUXACCZUCSA-AWEZNQCLSA-N 1 0 304.415 3.277 50 0 DGAARO CC[N@@H+]1CCC[C@@H](Nc2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000534581052 430162005 /nfs/dbraw/zinc/16/20/05/430162005.db2.gz KRQVANSLTHWEAA-OAHLLOKOSA-N 1 0 300.381 3.179 50 0 DGAARO CN(c1cc(C2CC[NH2+]CC2)ncn1)[C@@H]1CCCc2ccccc21 ZINC000067921967 277002798 /nfs/dbraw/zinc/00/27/98/277002798.db2.gz NEHOARWIHMVFOY-LJQANCHMSA-N 1 0 322.456 3.457 50 0 DGAARO CSCC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077520172 277508357 /nfs/dbraw/zinc/50/83/57/277508357.db2.gz CRUPKAYWUYGJMF-INIZCTEOSA-N 1 0 306.475 3.165 50 0 DGAARO COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000098052805 278045906 /nfs/dbraw/zinc/04/59/06/278045906.db2.gz YVXWYKPJHPVNRK-AFCDSYGPSA-N 1 0 311.429 3.381 50 0 DGAARO CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(C(F)(F)F)c1 ZINC000000000438 431111952 /nfs/dbraw/zinc/11/19/52/431111952.db2.gz JSJCTEKTBOKRST-SNVBAGLBSA-N 1 0 310.747 3.363 50 0 in-man DGAARO Cc1ccc(-c2csc3ncnc(N4CC[NH2+]CC4)c23)cc1 ZINC000000066599 431117350 /nfs/dbraw/zinc/11/73/50/431117350.db2.gz OVBQNKKPEBKJHD-UHFFFAOYSA-N 1 0 310.426 3.076 50 0 DGAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000000317572 431166312 /nfs/dbraw/zinc/16/63/12/431166312.db2.gz JJLDYVZWOAOWPK-QGZVFWFLSA-N 1 0 314.473 3.466 50 0 DGAARO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000000355280 431171386 /nfs/dbraw/zinc/17/13/86/431171386.db2.gz CRNCWJOFKGJZRW-DOTOQJQBSA-N 1 0 316.445 3.032 50 0 DGAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1CCC1 ZINC000069351784 431179030 /nfs/dbraw/zinc/17/90/30/431179030.db2.gz CDQAMGOUNIOUOK-UHFFFAOYSA-N 1 0 304.459 3.282 50 0 DGAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000069368392 431179254 /nfs/dbraw/zinc/17/92/54/431179254.db2.gz DYEPKCCEIDOMOL-VXGBXAGGSA-N 1 0 309.845 3.133 50 0 DGAARO Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)C2)ccc1Br ZINC000069378414 431182079 /nfs/dbraw/zinc/18/20/79/431182079.db2.gz MGOHNNLLAGDJIH-JTQLQIEISA-N 1 0 311.223 3.038 50 0 DGAARO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000069393325 431185033 /nfs/dbraw/zinc/18/50/33/431185033.db2.gz YMZKSXZDPLEDAP-NSHDSACASA-N 1 0 302.403 3.086 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC000069455669 431188821 /nfs/dbraw/zinc/18/88/21/431188821.db2.gz YHKWPELUJJITLL-CABCVRRESA-N 1 0 304.459 3.324 50 0 DGAARO Cc1sc(C)c([C@@H]2C=CNC=[NH+]2)c1I ZINC000000480762 431190168 /nfs/dbraw/zinc/19/01/68/431190168.db2.gz MODBQEYIHCDMET-QMMMGPOBSA-N 1 0 318.183 3.156 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1cccs1 ZINC000069455582 431190178 /nfs/dbraw/zinc/19/01/78/431190178.db2.gz WWFBIOGBTMHJBF-HOTGVXAUSA-N 1 0 306.475 3.156 50 0 DGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 ZINC000000507518 431194359 /nfs/dbraw/zinc/19/43/59/431194359.db2.gz USPYSSDFDADJTF-INIZCTEOSA-N 1 0 323.396 3.245 50 0 DGAARO O[C@]1(c2ccc(F)cc2)C[n+]2ccccc2N1c1ccccc1 ZINC000000239778 431150521 /nfs/dbraw/zinc/15/05/21/431150521.db2.gz YNIASIPVRBNPGJ-IBGZPJMESA-N 1 0 307.348 3.110 50 0 DGAARO CC1CCC([NH+]2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000000239041 431151859 /nfs/dbraw/zinc/15/18/59/431151859.db2.gz XMTOGKSMJWGZLW-UHFFFAOYSA-N 1 0 304.409 3.162 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000000239733 431151891 /nfs/dbraw/zinc/15/18/91/431151891.db2.gz LJHBSECKCFHWQS-RHSMWYFYSA-N 1 0 304.409 3.162 50 0 DGAARO COc1cccc(NC(=O)N2CCC([N@H+](C)C(C)C)CC2)c1 ZINC000000260979 431155645 /nfs/dbraw/zinc/15/56/45/431155645.db2.gz DETXXKCEVQGBSX-UHFFFAOYSA-N 1 0 305.422 3.032 50 0 DGAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000000283510 431159415 /nfs/dbraw/zinc/15/94/15/431159415.db2.gz DPHZTCZRKHWRBE-WMLDXEAASA-N 1 0 304.409 3.162 50 0 DGAARO C[C@@H]1C(c2ccc(F)cc2)[N+](=O)[C@@](C)(c2ccccc2)N1O ZINC000000304911 431161073 /nfs/dbraw/zinc/16/10/73/431161073.db2.gz OYIXZKPXBNPMNM-PXAZEXFGSA-N 1 0 300.333 3.091 50 0 DGAARO CCC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000001078537 431214380 /nfs/dbraw/zinc/21/43/80/431214380.db2.gz IOSHWMJSTKVNLU-QGZVFWFLSA-N 1 0 319.445 3.284 50 0 DGAARO COc1ccc([C@@H](C)[NH+]2CCC(CNC(C)=O)CC2)cc1Cl ZINC000069776227 431219734 /nfs/dbraw/zinc/21/97/34/431219734.db2.gz SWVQAFMWIHFLHF-GFCCVEGCSA-N 1 0 324.852 3.258 50 0 DGAARO CC(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000001697384 431236287 /nfs/dbraw/zinc/23/62/87/431236287.db2.gz VJMHVFBEQKKTBK-UHFFFAOYSA-N 1 0 322.452 3.357 50 0 DGAARO CC[NH+](CC)CCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000001734035 431238751 /nfs/dbraw/zinc/23/87/51/431238751.db2.gz HQVIMCDEPSJKLO-UHFFFAOYSA-N 1 0 310.441 3.277 50 0 DGAARO COCCC[NH2+]CCOCCOc1cc(C(C)C)ccc1C ZINC000002975044 431279187 /nfs/dbraw/zinc/27/91/87/431279187.db2.gz BGSCNZZWILCFSK-UHFFFAOYSA-N 1 0 309.450 3.140 50 0 DGAARO C[C@H]1C(c2ccc(F)cc2)[N+](=O)[C@@](C)(c2ccccc2)N1O ZINC000002994337 431279456 /nfs/dbraw/zinc/27/94/56/431279456.db2.gz OYIXZKPXBNPMNM-SJCJKPOMSA-N 1 0 300.333 3.091 50 0 DGAARO CC[NH+](CC)CCNC(=O)CCSc1ccccc1Cl ZINC000003231130 431288025 /nfs/dbraw/zinc/28/80/25/431288025.db2.gz MAUPTSCMXJLCIW-UHFFFAOYSA-N 1 0 314.882 3.280 50 0 DGAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)COCc1ccccc1F ZINC000071794356 431289282 /nfs/dbraw/zinc/28/92/82/431289282.db2.gz HLKQDUOFXZHTMX-QGZVFWFLSA-N 1 0 311.441 3.317 50 0 DGAARO C[C@H](SC(F)(F)F)C(=O)Nc1ccccc1C[NH+](C)C ZINC000040514138 279589979 /nfs/dbraw/zinc/58/99/79/279589979.db2.gz QSXBLLIJUIHHOE-VIFPVBQESA-N 1 0 306.353 3.328 50 0 DGAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000071880530 431303915 /nfs/dbraw/zinc/30/39/15/431303915.db2.gz BXQRPXPJNARZBR-KBPBESRZSA-N 1 0 312.866 3.377 50 0 DGAARO Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H]2Cn2cccn2)c1 ZINC000071875657 431304565 /nfs/dbraw/zinc/30/45/65/431304565.db2.gz QIVUCWGKSHKMFA-KRWDZBQOSA-N 1 0 310.376 3.235 50 0 DGAARO O=C(C[NH+]1CCCCC1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000005043928 431306601 /nfs/dbraw/zinc/30/66/01/431306601.db2.gz UAHSMNUIMYEKSK-UHFFFAOYSA-N 1 0 304.478 3.195 50 0 DGAARO Cc1ccc(NC(=O)COCc2ccccc2)c(C[NH+](C)C)c1 ZINC000071905241 431312480 /nfs/dbraw/zinc/31/24/80/431312480.db2.gz KQKRMUPUCMIGJE-UHFFFAOYSA-N 1 0 312.413 3.212 50 0 DGAARO Cc1nnc(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)o1 ZINC000071909872 431312632 /nfs/dbraw/zinc/31/26/32/431312632.db2.gz LXNCYTYCOXEPFX-UHFFFAOYSA-N 1 0 305.809 3.486 50 0 DGAARO COc1ccc(COC[C@@H](O)C[NH+](CC(C)C)CC(C)C)cc1 ZINC000002660243 431263602 /nfs/dbraw/zinc/26/36/02/431263602.db2.gz WEWMYMNDIKKMQI-SFHVURJKSA-N 1 0 323.477 3.187 50 0 DGAARO COc1ccc(C)cc1NC(=O)CC[N@H+](C)Cc1ccccc1 ZINC000002760694 431267738 /nfs/dbraw/zinc/26/77/38/431267738.db2.gz YBYGPYAEUAYTTR-UHFFFAOYSA-N 1 0 312.413 3.464 50 0 DGAARO C[NH+](C)CCOCCOc1cccc(Oc2ccccc2)c1 ZINC000002824037 431273335 /nfs/dbraw/zinc/27/33/35/431273335.db2.gz SXZREWFYACWZPM-UHFFFAOYSA-N 1 0 301.386 3.436 50 0 DGAARO C[C@](CO)([NH2+]Cc1nc(-c2ccsc2)no1)C1CCCCC1 ZINC000071921060 431317808 /nfs/dbraw/zinc/31/78/08/431317808.db2.gz BJNIXSLMYLCNHP-MRXNPFEDSA-N 1 0 321.446 3.219 50 0 DGAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccncc1 ZINC000071921038 431317883 /nfs/dbraw/zinc/31/78/83/431317883.db2.gz AIRPCBGRWJMIRK-INIZCTEOSA-N 1 0 324.428 3.210 50 0 DGAARO c1sc2c(c1C[NH+]1CCN(c3ccccn3)CC1)CCCC2 ZINC000006895108 431321774 /nfs/dbraw/zinc/32/17/74/431321774.db2.gz VBXYSLQMFJIBOV-UHFFFAOYSA-N 1 0 313.470 3.344 50 0 DGAARO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1C(C)C ZINC000007030697 431329776 /nfs/dbraw/zinc/32/97/76/431329776.db2.gz DPLLSFBPKSKGFI-MRXNPFEDSA-N 1 0 322.416 3.132 50 0 DGAARO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072152855 431331715 /nfs/dbraw/zinc/33/17/15/431331715.db2.gz JHCAGVRDYDBVLG-AWEZNQCLSA-N 1 0 324.415 3.134 50 0 DGAARO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1F)C1CC1 ZINC000072093830 431332547 /nfs/dbraw/zinc/33/25/47/431332547.db2.gz XZQOSTYXECKOTF-AWEZNQCLSA-N 1 0 321.440 3.230 50 0 DGAARO C[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2)CC1 ZINC000007105703 431332626 /nfs/dbraw/zinc/33/26/26/431332626.db2.gz DHWLWIPEFILBPT-VAWYXSNFSA-N 1 0 321.424 3.090 50 0 DGAARO Cc1nc(C(F)(F)F)nc(N2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000072150751 431332647 /nfs/dbraw/zinc/33/26/47/431332647.db2.gz GNILKYDZHAFZTR-LBPRGKRZSA-N 1 0 316.371 3.033 50 0 DGAARO C/C(=C\c1ccccc1)[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007125581 431335462 /nfs/dbraw/zinc/33/54/62/431335462.db2.gz YSUVMVPFDVAORU-LPQFERQCSA-N 1 0 303.369 3.188 50 0 DGAARO Cc1cc(Cl)ccc1OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000008937814 431416973 /nfs/dbraw/zinc/41/69/73/431416973.db2.gz BRQWRSSQAUUJCW-UHFFFAOYSA-N 1 0 324.852 3.016 50 0 DGAARO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)CC1 ZINC000009157342 431424379 /nfs/dbraw/zinc/42/43/79/431424379.db2.gz PBAMKAAPIOCWIF-MRXNPFEDSA-N 1 0 313.445 3.123 50 0 DGAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1F ZINC000007982589 431375009 /nfs/dbraw/zinc/37/50/09/431375009.db2.gz ZCGHUNPTPRYNGB-UHFFFAOYSA-N 1 0 315.392 3.421 50 0 DGAARO Cc1ccc2nc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)cc(=O)n2c1 ZINC000008266472 431391447 /nfs/dbraw/zinc/39/14/47/431391447.db2.gz ZDBMWOCLZKODTH-HZPDHXFCSA-N 1 0 311.429 3.015 50 0 DGAARO C[C@@H](OC[C@@H](O)C[NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000009579360 431440582 /nfs/dbraw/zinc/44/05/82/431440582.db2.gz KLNOGOPYBVDDRJ-DOMZBBRYSA-N 1 0 309.793 3.161 50 0 DGAARO C[C@@H](Nc1cc[nH+]cc1NC(=O)c1ccsc1)[C@H]1CCCO1 ZINC000075141632 431456831 /nfs/dbraw/zinc/45/68/31/431456831.db2.gz BAFWQDYIKFDVEC-IAQYHMDHSA-N 1 0 317.414 3.375 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434665 431460430 /nfs/dbraw/zinc/46/04/30/431460430.db2.gz RUMKZIFJOPNRSJ-ONBNRTMESA-N 1 0 307.478 3.207 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000010328146 431461662 /nfs/dbraw/zinc/46/16/62/431461662.db2.gz TWZLGCXKBMMSNS-MRXNPFEDSA-N 1 0 302.805 3.373 50 0 DGAARO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)CC(=O)NC1CC1 ZINC000011436803 431475157 /nfs/dbraw/zinc/47/51/57/431475157.db2.gz BKABBUWQJCMUGG-UHFFFAOYSA-N 1 0 302.462 3.311 50 0 DGAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](CCCC(F)(F)F)C2 ZINC000011699448 431481482 /nfs/dbraw/zinc/48/14/82/431481482.db2.gz CHYDNPPXKVNMFH-OAHLLOKOSA-N 1 0 318.383 3.053 50 0 DGAARO CC(C)(C)OC(=O)[C@@H](C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000012648210 431523297 /nfs/dbraw/zinc/52/32/97/431523297.db2.gz IIMCXALOJHOOLR-LLVKDONJSA-N 1 0 303.324 3.165 50 0 DGAARO O=C(CCc1ccco1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012836602 431531525 /nfs/dbraw/zinc/53/15/25/431531525.db2.gz NVSOUPRWCZRXHD-KRWDZBQOSA-N 1 0 318.461 3.373 50 0 DGAARO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+](CCO)C(C)C ZINC000011843728 431485936 /nfs/dbraw/zinc/48/59/36/431485936.db2.gz OCFRSRFJZBQOTO-UHFFFAOYSA-N 1 0 310.344 3.131 50 0 DGAARO CC(C)(C)CC(C)(C)NC1=[NH+]CCCNC12CCSCC2 ZINC000075567255 431486211 /nfs/dbraw/zinc/48/62/11/431486211.db2.gz KPANXOHFZQDZJU-UHFFFAOYSA-N 1 0 311.539 3.448 50 0 DGAARO COc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012062833 431491861 /nfs/dbraw/zinc/49/18/61/431491861.db2.gz CBJCXRMJLGAESC-LJQANCHMSA-N 1 0 324.424 3.262 50 0 biogenic DGAARO COC(=O)c1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000012336686 431501225 /nfs/dbraw/zinc/50/12/25/431501225.db2.gz RYBPVJVFLQTAJS-UHFFFAOYSA-N 1 0 301.308 3.248 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000012382481 431504829 /nfs/dbraw/zinc/50/48/29/431504829.db2.gz WIKXSEHVGKDITP-CYBMUJFWSA-N 1 0 324.852 3.096 50 0 DGAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000012538768 431512569 /nfs/dbraw/zinc/51/25/69/431512569.db2.gz YCMNPZCXZSZBSO-UHFFFAOYSA-N 1 0 323.396 3.384 50 0 DGAARO COc1cccc(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCCC2)c1 ZINC000012910911 431534978 /nfs/dbraw/zinc/53/49/78/431534978.db2.gz XCXCKRWPSYZSCL-MRXNPFEDSA-N 1 0 319.449 3.327 50 0 DGAARO COc1cccc(NC(=O)NC[C@H](CC(C)C)[NH+]2CCCC2)c1 ZINC000012910915 431536077 /nfs/dbraw/zinc/53/60/77/431536077.db2.gz XCXCKRWPSYZSCL-INIZCTEOSA-N 1 0 319.449 3.327 50 0 DGAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 ZINC000012945601 431538902 /nfs/dbraw/zinc/53/89/02/431538902.db2.gz TVDNNBUOBUZMJY-NHYWBVRUSA-N 1 0 315.804 3.339 50 0 DGAARO O[C@@H](C[NH2+]Cc1cccc(Oc2ncccn2)c1)c1ccccc1 ZINC000013731635 431565964 /nfs/dbraw/zinc/56/59/64/431565964.db2.gz PKELWPLYUJVFEW-SFHVURJKSA-N 1 0 321.380 3.092 50 0 DGAARO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ccccc1 ZINC000242317014 280098839 /nfs/dbraw/zinc/09/88/39/280098839.db2.gz YWOUEXVIORDIKE-WBVHZDCISA-N 1 0 303.450 3.263 50 0 DGAARO Clc1ccc(CCC[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000077247338 431575508 /nfs/dbraw/zinc/57/55/08/431575508.db2.gz XMXKIDPWVYESEK-SFHVURJKSA-N 1 0 322.880 3.069 50 0 DGAARO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])c2ccc(Cl)cc2n1 ZINC000096133838 280324142 /nfs/dbraw/zinc/32/41/42/280324142.db2.gz LKWLJPBEVYRZGA-ZDUSSCGKSA-N 1 0 317.820 3.150 50 0 DGAARO O=C(c1ccc(Cl)cc1)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000014632233 431592931 /nfs/dbraw/zinc/59/29/31/431592931.db2.gz KOFXPJYSNZZLHH-MRXNPFEDSA-N 1 0 301.773 3.312 50 0 DGAARO COc1ccc(-c2nc(C[N@H+](CCO)C(C)C)c(C)o2)cc1C ZINC000015063766 431601966 /nfs/dbraw/zinc/60/19/66/431601966.db2.gz UWWFYISQLPHATI-UHFFFAOYSA-N 1 0 318.417 3.170 50 0 DGAARO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCCCCC1 ZINC000014167321 431581111 /nfs/dbraw/zinc/58/11/11/431581111.db2.gz MSCPGASUWWFZDS-LBPRGKRZSA-N 1 0 312.360 3.491 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1c[nH]c2ccccc12 ZINC000014246547 431587566 /nfs/dbraw/zinc/58/75/66/431587566.db2.gz JNWWFUKYLJGSAG-KRWDZBQOSA-N 1 0 323.396 3.328 50 0 DGAARO CCCCN1C[C@]2(CCC[N@H+](Cc3cccnc3)C2)CCC1=O ZINC000077406840 431590483 /nfs/dbraw/zinc/59/04/83/431590483.db2.gz LXHGLIUEVABCQI-LJQANCHMSA-N 1 0 315.461 3.086 50 0 DGAARO Cc1ccccc1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025330512 431650493 /nfs/dbraw/zinc/65/04/93/431650493.db2.gz WDGUNFPYBLZRBD-INIZCTEOSA-N 1 0 302.443 3.018 50 0 DGAARO O=c1[nH]c(C[N@@H+]2CCC[C@H]2Cc2ccccc2)nc2ccccc21 ZINC000025439917 431656952 /nfs/dbraw/zinc/65/69/52/431656952.db2.gz KZMYVFUUQGPVNB-INIZCTEOSA-N 1 0 319.408 3.130 50 0 DGAARO C[C@H](c1ccc2c(c1)OCCO2)N(C)Cc1cc(C2CC2)n[nH]1 ZINC000020540550 431625099 /nfs/dbraw/zinc/62/50/99/431625099.db2.gz WYSSDBYYFABZCB-GFCCVEGCSA-N 1 0 313.401 3.251 50 0 DGAARO OCC[C@@H]1C[N@@H+](C2CCCCCC2)CCN1Cc1ccccc1 ZINC000020450200 431626750 /nfs/dbraw/zinc/62/67/50/431626750.db2.gz ZVQDZRVTKUUWOE-HXUWFJFHSA-N 1 0 316.489 3.278 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cccs1)c1ccsc1 ZINC000025810579 431665460 /nfs/dbraw/zinc/66/54/60/431665460.db2.gz VUHOMPZIMQOEPG-GJBLVYBDSA-N 1 0 306.456 3.242 50 0 DGAARO CN(C)C(=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025946057 431669613 /nfs/dbraw/zinc/66/96/13/431669613.db2.gz HIKLHVBPLMHWTC-SFHVURJKSA-N 1 0 314.454 3.174 50 0 DGAARO [NH3+]CC[S@@](=O)c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000026422235 431675631 /nfs/dbraw/zinc/67/56/31/431675631.db2.gz XXJHHCFFJKWMKZ-NRFANRHFSA-N 1 0 302.374 3.040 50 0 DGAARO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC3(CC2)OCCO3)c1C ZINC000026934214 431680640 /nfs/dbraw/zinc/68/06/40/431680640.db2.gz FJYZUTSRBVXHIO-UHFFFAOYSA-N 1 0 317.429 3.153 50 0 DGAARO c1nn(Cc2ccccc2)c2c1[C@H]([NH2+]Cc1ccccn1)CCC2 ZINC000027223083 431686156 /nfs/dbraw/zinc/68/61/56/431686156.db2.gz ZADIEEAIDSVPKB-LJQANCHMSA-N 1 0 318.424 3.494 50 0 DGAARO c1nn(Cc2ccccc2)c2c1[C@@H]([NH2+]Cc1cccnc1)CCC2 ZINC000027223076 431687302 /nfs/dbraw/zinc/68/73/02/431687302.db2.gz BOWNJPIETUBGAP-IBGZPJMESA-N 1 0 318.424 3.494 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC000078612755 431688491 /nfs/dbraw/zinc/68/84/91/431688491.db2.gz NPCPQMLRVAOHDS-UHFFFAOYSA-N 1 0 309.417 3.019 50 0 DGAARO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)Cc1ccccc1 ZINC000027406499 431688555 /nfs/dbraw/zinc/68/85/55/431688555.db2.gz IPMURAOMTDBMON-OAHLLOKOSA-N 1 0 312.438 3.332 50 0 DGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000027584286 431689689 /nfs/dbraw/zinc/68/96/89/431689689.db2.gz OGSAGAZKMSPMJL-OAHLLOKOSA-N 1 0 318.417 3.454 50 0 DGAARO CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@H](SCC)C1 ZINC000078650649 431689944 /nfs/dbraw/zinc/68/99/44/431689944.db2.gz PMZXWNSHEIOGGQ-HNNXBMFYSA-N 1 0 300.512 3.243 50 0 DGAARO Cc1ccoc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027606535 431691886 /nfs/dbraw/zinc/69/18/86/431691886.db2.gz SJZWKWSGJIQIBE-ZDUSSCGKSA-N 1 0 304.415 3.216 50 0 DGAARO Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000078674139 431692617 /nfs/dbraw/zinc/69/26/17/431692617.db2.gz WYZJIDHTMBAFQK-QGZVFWFLSA-N 1 0 319.445 3.300 50 0 DGAARO C[N@H+](Cc1cc(=O)n2ccccc2n1)[C@@H]1CCCc2ccccc21 ZINC000027906411 431696771 /nfs/dbraw/zinc/69/67/71/431696771.db2.gz DMZBMWUFDRSGIQ-GOSISDBHSA-N 1 0 319.408 3.204 50 0 DGAARO C[NH+](C)C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000028317146 431705028 /nfs/dbraw/zinc/70/50/28/431705028.db2.gz FNNWVDKWZQSCOX-FQEVSTJZSA-N 1 0 320.440 3.265 50 0 DGAARO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC000029219269 431716447 /nfs/dbraw/zinc/71/64/47/431716447.db2.gz CQZADGPNEJHRON-HNNXBMFYSA-N 1 0 317.433 3.216 50 0 DGAARO c1ccc(N2CC[NH+](CCNc3nc4ccccc4o3)CC2)cc1 ZINC000029585433 431723506 /nfs/dbraw/zinc/72/35/06/431723506.db2.gz ZORDQUPUZXUXFN-UHFFFAOYSA-N 1 0 322.412 3.062 50 0 DGAARO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000032836290 431795655 /nfs/dbraw/zinc/79/56/55/431795655.db2.gz BBXPWQLHIJWHMC-LBPRGKRZSA-N 1 0 317.360 3.472 50 0 DGAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000032911499 431798754 /nfs/dbraw/zinc/79/87/54/431798754.db2.gz GKZXFMVAQDEMFH-SFHVURJKSA-N 1 0 312.388 3.220 50 0 DGAARO CC(C)(C)c1nnc(C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000032936875 431803895 /nfs/dbraw/zinc/80/38/95/431803895.db2.gz BHRFMYXQXAXNJU-UHFFFAOYSA-N 1 0 300.406 3.142 50 0 DGAARO O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CCC[NH2+]1 ZINC000032232123 431773349 /nfs/dbraw/zinc/77/33/49/431773349.db2.gz TUANARVBQKQAAK-QGZVFWFLSA-N 1 0 314.360 3.095 50 0 DGAARO CCCCNC(=S)NCc1ccccc1C[N@H+](C)C(C)C ZINC000036847613 431841831 /nfs/dbraw/zinc/84/18/31/431841831.db2.gz WIPDCVGWLFKGKR-UHFFFAOYSA-N 1 0 307.507 3.291 50 0 DGAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000036869668 431841981 /nfs/dbraw/zinc/84/19/81/431841981.db2.gz QVHFAMAWDPXLLD-AWEZNQCLSA-N 1 0 305.809 3.112 50 0 DGAARO Cc1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)o1 ZINC000086258010 431844200 /nfs/dbraw/zinc/84/42/00/431844200.db2.gz AIXVEROWWXPHHE-UHFFFAOYSA-N 1 0 314.429 3.404 50 0 DGAARO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 ZINC000037301100 431845896 /nfs/dbraw/zinc/84/58/96/431845896.db2.gz DGBGFGWNHQEAGU-NSHDSACASA-N 1 0 304.777 3.357 50 0 DGAARO CC(C)(C)C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038083627 431855052 /nfs/dbraw/zinc/85/50/52/431855052.db2.gz CZMHJJDBNJLLPE-GOEBONIOSA-N 1 0 309.475 3.188 50 0 DGAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1c(F)cccc1Cl ZINC000040286034 431857072 /nfs/dbraw/zinc/85/70/72/431857072.db2.gz POYCKBAKVBLREV-DOTOQJQBSA-N 1 0 316.763 3.404 50 0 DGAARO CN(C)C(=O)CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000040511229 431857649 /nfs/dbraw/zinc/85/76/49/431857649.db2.gz QAVWJZJYFJLEOB-INIZCTEOSA-N 1 0 320.483 3.235 50 0 DGAARO CCOC(=O)C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000042121797 431862083 /nfs/dbraw/zinc/86/20/83/431862083.db2.gz IOQOYBZJCISXSM-UHFFFAOYSA-N 1 0 316.376 3.149 50 0 DGAARO COC[C@@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000089409930 431864635 /nfs/dbraw/zinc/86/46/35/431864635.db2.gz GVYYTXWDAVHTAW-MJGOQNOKSA-N 1 0 319.445 3.103 50 0 DGAARO Cc1cc([C@H]2CCC[N@H+](C[C@H](O)c3ccccc3Cl)C2)[nH]n1 ZINC000089599033 431872385 /nfs/dbraw/zinc/87/23/85/431872385.db2.gz PRKSZJHTIRGYNU-GUYCJALGSA-N 1 0 319.836 3.285 50 0 DGAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccco1)CC(C)C ZINC000036096375 431835217 /nfs/dbraw/zinc/83/52/17/431835217.db2.gz OTIPZFDUGFHZFE-QGZVFWFLSA-N 1 0 317.429 3.486 50 0 DGAARO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000036096874 431835502 /nfs/dbraw/zinc/83/55/02/431835502.db2.gz LWSBXTQDAAOGCT-HXUWFJFHSA-N 1 0 313.441 3.475 50 0 DGAARO CCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccco1 ZINC000036099958 431835842 /nfs/dbraw/zinc/83/58/42/431835842.db2.gz OQESIAQNSUGIHA-GOSISDBHSA-N 1 0 317.429 3.378 50 0 DGAARO Cn1c(SCC[NH+]2CCCCC2)nnc1-c1ccc(F)cc1 ZINC000036612098 431839104 /nfs/dbraw/zinc/83/91/04/431839104.db2.gz JTFYWXBKAAZWCV-UHFFFAOYSA-N 1 0 320.437 3.199 50 0 DGAARO Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047321617 431908699 /nfs/dbraw/zinc/90/86/99/431908699.db2.gz RWJLCSGBYFTEPO-UHFFFAOYSA-N 1 0 324.428 3.176 50 0 DGAARO CCC(CC)(CO)C[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095503816 431926255 /nfs/dbraw/zinc/92/62/55/431926255.db2.gz AXKFTFQFABWFSF-INIZCTEOSA-N 1 0 305.462 3.358 50 0 DGAARO CN1CC[C@H]([NH2+]Cc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095437468 431926424 /nfs/dbraw/zinc/92/64/24/431926424.db2.gz ITZPNGUAWVCWPH-IRXDYDNUSA-N 1 0 319.811 3.409 50 0 DGAARO C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000048309533 431923378 /nfs/dbraw/zinc/92/33/78/431923378.db2.gz HATJZHBAHYJBGH-WBVHZDCISA-N 1 0 318.436 3.439 50 0 DGAARO CC[C@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)CC[N@@H+]1C(C)C ZINC000095360016 431923360 /nfs/dbraw/zinc/92/33/60/431923360.db2.gz OZBJHAYZPCHVLZ-INIZCTEOSA-N 1 0 305.466 3.188 50 0 DGAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNc2nnc(C3CC3)o2)C1 ZINC000095366678 431923473 /nfs/dbraw/zinc/92/34/73/431923473.db2.gz UCKHHNYWHDDSQT-CQSZACIVSA-N 1 0 312.417 3.189 50 0 DGAARO CC(C)c1cc(CN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)no1 ZINC000095356666 431923534 /nfs/dbraw/zinc/92/35/34/431923534.db2.gz SXSGXCZPKXDDLF-HNNXBMFYSA-N 1 0 307.438 3.021 50 0 DGAARO Cc1cc(C)c(CNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)cn1 ZINC000095370633 431924468 /nfs/dbraw/zinc/92/44/68/431924468.db2.gz RJUZRYKGQKQQPU-GOSISDBHSA-N 1 0 323.440 3.095 50 0 DGAARO CC[C@H](c1cccnc1)N(C)C(=O)CC1CC[NH+](CC)CC1 ZINC000095375088 431924505 /nfs/dbraw/zinc/92/45/05/431924505.db2.gz UDOWMSUOFFJTOO-QGZVFWFLSA-N 1 0 303.450 3.113 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(C)o2)cc1F ZINC000095423191 431924961 /nfs/dbraw/zinc/92/49/61/431924961.db2.gz BHDWSRDIUFGQGF-PXAZEXFGSA-N 1 0 307.365 3.294 50 0 DGAARO Cc1cnn(CC[NH2+][C@H](C)c2ccc(Br)cc2)c1 ZINC000089702498 431875671 /nfs/dbraw/zinc/87/56/71/431875671.db2.gz IJLOGWKCNOJAAN-GFCCVEGCSA-N 1 0 308.223 3.305 50 0 DGAARO OCC1CC[NH+](Cc2cccc(NCc3ccoc3)c2)CC1 ZINC000089780596 431878560 /nfs/dbraw/zinc/87/85/60/431878560.db2.gz AXUWDIJFGUCCIP-UHFFFAOYSA-N 1 0 300.402 3.096 50 0 DGAARO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2sccc2C)c1 ZINC000095422667 431925349 /nfs/dbraw/zinc/92/53/49/431925349.db2.gz JZOIYJWOTDFDCW-WBMJQRKESA-N 1 0 321.442 3.458 50 0 DGAARO Clc1ccc(C[NH2+]CCOC[C@H]2CCCO2)c2ncccc12 ZINC000089807727 431880369 /nfs/dbraw/zinc/88/03/69/431880369.db2.gz MPHNTFYRTLXRBH-CQSZACIVSA-N 1 0 320.820 3.173 50 0 DGAARO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000089895298 431884841 /nfs/dbraw/zinc/88/48/41/431884841.db2.gz ISZYECWOVMVINV-SMDDNHRTSA-N 1 0 321.808 3.125 50 0 DGAARO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(C)o2)cc1F ZINC000095423189 431925596 /nfs/dbraw/zinc/92/55/96/431925596.db2.gz BHDWSRDIUFGQGF-SJCJKPOMSA-N 1 0 307.365 3.294 50 0 DGAARO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cncc(F)c1 ZINC000090115370 431890704 /nfs/dbraw/zinc/89/07/04/431890704.db2.gz SNIXEVLTEKCKJS-GDZNZVCISA-N 1 0 313.376 3.065 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccn1)c1ccsc1 ZINC000046253359 431896122 /nfs/dbraw/zinc/89/61/22/431896122.db2.gz PYKCNPZRCSHIPP-AWEZNQCLSA-N 1 0 318.446 3.348 50 0 DGAARO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)CCC2 ZINC000090891122 431897179 /nfs/dbraw/zinc/89/71/79/431897179.db2.gz GTZXKYHIVIGPQP-WMLDXEAASA-N 1 0 320.433 3.465 50 0 DGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)/C=C/c2cccc(F)c2)C1 ZINC000046959915 431903759 /nfs/dbraw/zinc/90/37/59/431903759.db2.gz AQOYMMGQTZYGLX-XVJNWHFHSA-N 1 0 304.409 3.077 50 0 DGAARO COc1cc2c(cc1C[NH+]1CCC(c3cc[nH]n3)CC1)CCC2 ZINC000097578938 431971515 /nfs/dbraw/zinc/97/15/15/431971515.db2.gz MJSOKUZZIGKXEQ-UHFFFAOYSA-N 1 0 311.429 3.287 50 0 DGAARO CC[C@H](NC(=O)CC1CC[NH+](CC)CC1)c1ccc(O)cc1 ZINC000097570975 431971531 /nfs/dbraw/zinc/97/15/31/431971531.db2.gz VFGTVRMMUBWFHQ-KRWDZBQOSA-N 1 0 304.434 3.082 50 0 DGAARO CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)cc1C ZINC000097637916 431972508 /nfs/dbraw/zinc/97/25/08/431972508.db2.gz YGICEXHKHKLROF-UHFFFAOYSA-N 1 0 315.364 3.012 50 0 DGAARO CCOc1ccc(CN2CCC[C@@H]([NH3+])CC2)c(OCC)c1C ZINC000097743378 431974158 /nfs/dbraw/zinc/97/41/58/431974158.db2.gz HGYCAZAALWLHOZ-MRXNPFEDSA-N 1 0 306.450 3.106 50 0 DGAARO O=C(NCCC12CCC[NH+]1CCC2)Nc1cccc(Cl)c1 ZINC000097716976 431974411 /nfs/dbraw/zinc/97/44/11/431974411.db2.gz YYCMTHCYWYWIII-UHFFFAOYSA-N 1 0 307.825 3.480 50 0 DGAARO CCCCC[NH+]1CCC(Cn2cc(-c3ccccn3)nn2)CC1 ZINC000055061139 431974748 /nfs/dbraw/zinc/97/47/48/431974748.db2.gz QHNWDOUVPOGDBB-UHFFFAOYSA-N 1 0 313.449 3.242 50 0 DGAARO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(OC)c1C ZINC000097813684 431974736 /nfs/dbraw/zinc/97/47/36/431974736.db2.gz ABZMNNKRAKVTSF-LPHOPBHVSA-N 1 0 319.445 3.139 50 0 DGAARO O=C1N[C@H]2CC[C@@H]1C[N@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC000097772848 431975314 /nfs/dbraw/zinc/97/53/14/431975314.db2.gz WMARTOBZLVOBKZ-MOPGFXCFSA-N 1 0 320.436 3.029 50 0 DGAARO CC[C@H](CO)[N@H+](Cc1cccs1)Cc1ccc2nonc2c1 ZINC000055053054 431975657 /nfs/dbraw/zinc/97/56/57/431975657.db2.gz UNVRNXIAKVVXRF-CYBMUJFWSA-N 1 0 317.414 3.057 50 0 DGAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1ccc(OC)nc1 ZINC000055120328 431977381 /nfs/dbraw/zinc/97/73/81/431977381.db2.gz CQOXCFDSSZQOMV-UHFFFAOYSA-N 1 0 300.402 3.047 50 0 DGAARO CNc1ncccc1C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000055109192 431977471 /nfs/dbraw/zinc/97/74/71/431977471.db2.gz NYWJBPCYIOACSQ-UHFFFAOYSA-N 1 0 303.381 3.163 50 0 DGAARO C[C@H](CO)C[N@H+](Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC000055154875 431977637 /nfs/dbraw/zinc/97/76/37/431977637.db2.gz PTEZSNRHWCVXCD-INIZCTEOSA-N 1 0 321.424 3.260 50 0 DGAARO CCC[NH+](CCC)Cc1ccc(C(=O)N[C@H](CC)COC)cc1 ZINC000055166011 431977742 /nfs/dbraw/zinc/97/77/42/431977742.db2.gz WUNDIQMVFWHDOO-GOSISDBHSA-N 1 0 320.477 3.463 50 0 DGAARO Cc1ccc2nc(C)c(C(=O)NCC[C@@H]3CCC[N@H+]3C)cc2c1 ZINC000055284926 431978874 /nfs/dbraw/zinc/97/88/74/431978874.db2.gz WXLRHAHCICEOHK-INIZCTEOSA-N 1 0 311.429 3.066 50 0 DGAARO [NH3+]CCCCCC(=O)OCc1ccccc1Br ZINC000095918081 431926731 /nfs/dbraw/zinc/92/67/31/431926731.db2.gz BYCVJCSANQFEMZ-UHFFFAOYSA-N 1 0 300.196 3.011 50 0 DGAARO Cc1cc2ncnc(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2cc1C ZINC000095945045 431926950 /nfs/dbraw/zinc/92/69/50/431926950.db2.gz 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431931360 /nfs/dbraw/zinc/93/13/60/431931360.db2.gz HYFPUUOWEBGLMQ-INIZCTEOSA-N 1 0 309.475 3.079 50 0 DGAARO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)CS(C)(=O)=O ZINC000095984205 431931808 /nfs/dbraw/zinc/93/18/08/431931808.db2.gz XKPCZXJYSWHSJH-ZJUUUORDSA-N 1 0 324.273 3.325 50 0 DGAARO Cc1ncsc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000095988581 431932606 /nfs/dbraw/zinc/93/26/06/431932606.db2.gz FZHJYTKKDWGFRJ-DZGCQCFKSA-N 1 0 310.369 3.350 50 0 DGAARO CCS[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC000095990118 431932698 /nfs/dbraw/zinc/93/26/98/431932698.db2.gz YIZKPLWZCDNGCI-HOTGVXAUSA-N 1 0 316.474 3.246 50 0 DGAARO CCOC(=O)c1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)o1 ZINC000095988475 431932873 /nfs/dbraw/zinc/93/28/73/431932873.db2.gz SNGCPVVUQFOZHB-CQSZACIVSA-N 1 0 321.417 3.428 50 0 DGAARO CCS[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000095990131 431933036 /nfs/dbraw/zinc/93/30/36/431933036.db2.gz RQWMXCXPHCRTDA-HUUCEWRRSA-N 1 0 302.447 3.236 50 0 DGAARO Fc1ccc(N2CC[C@@H]([NH2+]Cc3cscn3)C2)cc1Cl ZINC000095994172 431933400 /nfs/dbraw/zinc/93/34/00/431933400.db2.gz ILCYTGYXIUDBKY-SNVBAGLBSA-N 1 0 311.813 3.304 50 0 DGAARO COc1cccc(-c2nc3c([nH]2)CN(c2cc[nH+]cc2)CC3)c1 ZINC000096139273 431940016 /nfs/dbraw/zinc/94/00/16/431940016.db2.gz BUKYLYZFAUAOPR-UHFFFAOYSA-N 1 0 306.369 3.043 50 0 DGAARO Cc1nn(C)c2nc(NC[C@@H]3CC[N@@H+](C4CCCC4)C3)sc12 ZINC000096153565 431940965 /nfs/dbraw/zinc/94/09/65/431940965.db2.gz NBFMANSBBRQYNF-LBPRGKRZSA-N 1 0 319.478 3.015 50 0 DGAARO Cc1occc1-c1nnc(SCC[C@@H]2CCCC[N@@H+]2C)n1C ZINC000049710811 431942462 /nfs/dbraw/zinc/94/24/62/431942462.db2.gz NECYQURKSMFPRY-ZDUSSCGKSA-N 1 0 320.462 3.350 50 0 DGAARO CC/C=C(\C)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000096309339 431944685 /nfs/dbraw/zinc/94/46/85/431944685.db2.gz MCFHLOPYXGIHGQ-MKMNVTDBSA-N 1 0 304.409 3.263 50 0 DGAARO O=C(NCc1ccccc1F)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050025811 431945463 /nfs/dbraw/zinc/94/54/63/431945463.db2.gz YRBWJMWUCBANOI-SFHVURJKSA-N 1 0 312.388 3.107 50 0 DGAARO CC[NH+](CC)C1CCN(C(=O)[C@H]2CSc3ccccc32)CC1 ZINC000096411235 431945985 /nfs/dbraw/zinc/94/59/85/431945985.db2.gz ZAOJVVIOROYPSW-INIZCTEOSA-N 1 0 318.486 3.209 50 0 DGAARO CN(C[C@@H]1CCC[N@H+](Cc2ccncc2)C1)C(=O)OC(C)(C)C ZINC000096424621 431947224 /nfs/dbraw/zinc/94/72/24/431947224.db2.gz PUBAOYZKSSCSRZ-INIZCTEOSA-N 1 0 319.449 3.161 50 0 DGAARO Cc1csc(NC(=O)Nc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000096443632 431949924 /nfs/dbraw/zinc/94/99/24/431949924.db2.gz RCQAPZQQQMVERA-UHFFFAOYSA-N 1 0 320.418 3.036 50 0 DGAARO CCn1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000096456801 431951798 /nfs/dbraw/zinc/95/17/98/431951798.db2.gz FKGREKHBHRSAQX-APWZRJJASA-N 1 0 312.461 3.046 50 0 DGAARO Cc1ccc([C@@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)cc1 ZINC000096467008 431952178 /nfs/dbraw/zinc/95/21/78/431952178.db2.gz UCLWBJGPRNYOOL-KRWDZBQOSA-N 1 0 309.475 3.345 50 0 DGAARO C[C@H](Cc1nc2ccccc2s1)[NH2+]CC[S@](=O)C(C)(C)C ZINC000096477877 431952676 /nfs/dbraw/zinc/95/26/76/431952676.db2.gz FKYSUXFBXZWCKH-XUSGNXJCSA-N 1 0 324.515 3.364 50 0 DGAARO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000051943340 431952901 /nfs/dbraw/zinc/95/29/01/431952901.db2.gz MHALRZHJLIMHKE-UHFFFAOYSA-N 1 0 302.418 3.059 50 0 DGAARO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1ccc(Cl)s1 ZINC000096482918 431952962 /nfs/dbraw/zinc/95/29/62/431952962.db2.gz HHMVTNWXTWMFQN-UHFFFAOYSA-N 1 0 323.849 3.174 50 0 DGAARO CCOc1ccccc1CN(CC)C(=O)C[C@H]1CCCC[N@@H+]1C ZINC000055325673 431980353 /nfs/dbraw/zinc/98/03/53/431980353.db2.gz PVLQJNGSPNIYOV-QGZVFWFLSA-N 1 0 318.461 3.308 50 0 DGAARO CC(C)(CN1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000096492866 431953746 /nfs/dbraw/zinc/95/37/46/431953746.db2.gz GFBNEKUEYMFZBH-UHFFFAOYSA-N 1 0 316.489 3.151 50 0 DGAARO COCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000097036975 431957131 /nfs/dbraw/zinc/95/71/31/431957131.db2.gz GBUNUYVUVSKARC-YGRLFVJLSA-N 1 0 304.217 3.307 50 0 DGAARO Cc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)ccc1-n1cncn1 ZINC000097058741 431958303 /nfs/dbraw/zinc/95/83/03/431958303.db2.gz QIOJVQFEZJQFDR-OAHLLOKOSA-N 1 0 307.401 3.164 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@@H]1C ZINC000097080733 431959423 /nfs/dbraw/zinc/95/94/23/431959423.db2.gz PDVMMRMQRQRNPA-CKEIUWERSA-N 1 0 309.475 3.146 50 0 DGAARO COCCOC1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000097085962 431959917 /nfs/dbraw/zinc/95/99/17/431959917.db2.gz LCBNNEFLUITQBS-UHFFFAOYSA-N 1 0 314.429 3.483 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccco3)C[C@H]12 ZINC000097113973 431961780 /nfs/dbraw/zinc/96/17/80/431961780.db2.gz AEYRHMJLCOXQFM-VHDGCEQUSA-N 1 0 306.406 3.015 50 0 DGAARO O=C1[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CCCN1c1cccnc1 ZINC000097108628 431961934 /nfs/dbraw/zinc/96/19/34/431961934.db2.gz UOYFBCXMVHFOEX-XYJFISCASA-N 1 0 313.445 3.135 50 0 DGAARO Cc1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc(C)[nH+]1 ZINC000097117677 431962848 /nfs/dbraw/zinc/96/28/48/431962848.db2.gz JOHPKODBCWOTRX-UHFFFAOYSA-N 1 0 317.383 3.299 50 0 DGAARO CCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(OC)cc2)no1 ZINC000097164381 431964737 /nfs/dbraw/zinc/96/47/37/431964737.db2.gz FBUBVPDSELLSPM-HNNXBMFYSA-N 1 0 301.390 3.216 50 0 DGAARO C[C@H](CO)[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000097234074 431965915 /nfs/dbraw/zinc/96/59/15/431965915.db2.gz HBXQXDDKKSURLU-QMTHXVAHSA-N 1 0 310.191 3.102 50 0 DGAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3nc4ccccc4nc3C)C2)n1 ZINC000097522603 431970430 /nfs/dbraw/zinc/97/04/30/431970430.db2.gz ILGOOLRUAUPAHV-INIZCTEOSA-N 1 0 321.428 3.199 50 0 DGAARO CCC[N@H+](Cc1cccnc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055386368 431981126 /nfs/dbraw/zinc/98/11/26/431981126.db2.gz WFWOGMNABNWJLE-UHFFFAOYSA-N 1 0 314.385 3.231 50 0 DGAARO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCC[NH2+]1 ZINC000077010699 281129054 /nfs/dbraw/zinc/12/90/54/281129054.db2.gz QXBLHRKFHSBNGK-NSHDSACASA-N 1 0 310.319 3.081 50 0 DGAARO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248768772 432318370 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CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000252497373 432379212 /nfs/dbraw/zinc/37/92/12/432379212.db2.gz QFCPCVCHUHGGBO-KRWDZBQOSA-N 1 0 313.445 3.467 50 0 DGAARO O=C(c1ccc(F)c(Cl)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000252496294 432380317 /nfs/dbraw/zinc/38/03/17/432380317.db2.gz PGBNKNOXDBAQRI-UHFFFAOYSA-N 1 0 310.800 3.085 50 0 DGAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000252513034 432380919 /nfs/dbraw/zinc/38/09/19/432380919.db2.gz WZICMJLRVJXJHW-VGWCWKRBSA-N 1 0 301.496 3.002 50 0 DGAARO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000252507865 432381849 /nfs/dbraw/zinc/38/18/49/432381849.db2.gz WVKGKWOKTFQRKW-SFHVURJKSA-N 1 0 313.445 3.058 50 0 DGAARO Cc1nc(CC[NH+]2CCC(OCc3ccccn3)CC2)cs1 ZINC000252502777 432381946 /nfs/dbraw/zinc/38/19/46/432381946.db2.gz USXNUOUQYAULGI-UHFFFAOYSA-N 1 0 317.458 3.070 50 0 DGAARO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000252570978 432383714 /nfs/dbraw/zinc/38/37/14/432383714.db2.gz 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ZINC000426653070 433553697 /nfs/dbraw/zinc/55/36/97/433553697.db2.gz YYRRFIBAYRPATM-AWEZNQCLSA-N 1 0 313.397 3.461 50 0 DGAARO COCC[NH2+]CCOc1ccc(C)cc1-c1ccc(F)cc1 ZINC000426727430 433576843 /nfs/dbraw/zinc/57/68/43/433576843.db2.gz JZJCORKTHUYITK-UHFFFAOYSA-N 1 0 303.377 3.416 50 0 DGAARO C[C@@H]([NH2+][C@H]1CSC1(C)C)c1cccc(N2CCOCC2)c1 ZINC000283370341 433712846 /nfs/dbraw/zinc/71/28/46/433712846.db2.gz NVZIZGZYZSJNSF-CJNGLKHVSA-N 1 0 306.475 3.068 50 0 DGAARO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC23CCCC3)cc1 ZINC000293847512 433893573 /nfs/dbraw/zinc/89/35/73/433893573.db2.gz TZFALLHWQFVVES-INIZCTEOSA-N 1 0 307.459 3.293 50 0 DGAARO Clc1cnn(CC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000459296903 434562346 /nfs/dbraw/zinc/56/23/46/434562346.db2.gz HLNCUSYRNYPOII-KRWDZBQOSA-N 1 0 319.836 3.218 50 0 DGAARO CC[NH+](CC)CCSCC(=O)Nc1c(O)cccc1Cl ZINC000408518665 434582783 /nfs/dbraw/zinc/58/27/83/434582783.db2.gz SYHKBCWIKRWBNX-UHFFFAOYSA-N 1 0 316.854 3.059 50 0 DGAARO FC(F)CN1CCC[N@H+](Cc2ccccc2OCC2CC2)CC1 ZINC000349179765 434629131 /nfs/dbraw/zinc/62/91/31/434629131.db2.gz CLGOGODWDKWJAM-UHFFFAOYSA-N 1 0 324.415 3.248 50 0 DGAARO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccncc1 ZINC000583651286 435244731 /nfs/dbraw/zinc/24/47/31/435244731.db2.gz KEWRHSSMSFPCML-YOFSQIOKSA-N 1 0 308.425 3.139 50 0 DGAARO Cc1cccc(C)c1-n1nnnc1C1([NH2+]C(C)C)CCCCC1 ZINC000022436686 301962285 /nfs/dbraw/zinc/96/22/85/301962285.db2.gz GLHPDLBNNGGBEE-UHFFFAOYSA-N 1 0 313.449 3.437 50 0 DGAARO Cc1cc(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)on1 ZINC000581207293 324089174 /nfs/dbraw/zinc/08/91/74/324089174.db2.gz AYPIQGRHWWEXIW-UHFFFAOYSA-N 1 0 313.401 3.150 50 0 DGAARO CC(C)Oc1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cn1 ZINC000065512832 331877870 /nfs/dbraw/zinc/87/78/70/331877870.db2.gz DQOQKMQJYINQBB-UHFFFAOYSA-N 1 0 302.422 3.179 50 0 DGAARO Cc1ncc([C@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)s1 ZINC000090409034 332087939 /nfs/dbraw/zinc/08/79/39/332087939.db2.gz NMUZASMSHDVDLU-SJCJKPOMSA-N 1 0 302.443 3.326 50 0 DGAARO O=C1c2cccc(Cl)c2CCN1CC[NH2+]Cc1ccccc1 ZINC000521394024 332169125 /nfs/dbraw/zinc/16/91/25/332169125.db2.gz YAPXYXHLMMLMBN-UHFFFAOYSA-N 1 0 314.816 3.128 50 0 DGAARO CCc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)o1 ZINC000095419778 332169769 /nfs/dbraw/zinc/16/97/69/332169769.db2.gz PKQUGAHBTXIAMP-AWEZNQCLSA-N 1 0 310.401 3.333 50 0 DGAARO Cc1nccn1CC[C@@H](C)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000534574469 334287499 /nfs/dbraw/zinc/28/74/99/334287499.db2.gz JPMRLILEZYYSAG-CYBMUJFWSA-N 1 0 318.490 3.138 50 0 DGAARO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]C1(C2CCCC2)CC1 ZINC000534652948 334312843 /nfs/dbraw/zinc/31/28/43/334312843.db2.gz MMUHMVDJBYUOHZ-AWEZNQCLSA-N 1 0 311.429 3.097 50 0 DGAARO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000299739960 533795442 /nfs/dbraw/zinc/79/54/42/533795442.db2.gz UCSNVMGKZFFIES-MCIONIFRSA-N 1 0 324.852 3.002 50 0 DGAARO c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000084581796 545791274 /nfs/dbraw/zinc/79/12/74/545791274.db2.gz RHAMIAULPNZTLT-SFHVURJKSA-N 1 0 304.397 3.119 50 0 DGAARO Nc1cc(CCC[NH2+]Cc2cccs2)nn1-c1ccccc1 ZINC000084569546 545791674 /nfs/dbraw/zinc/79/16/74/545791674.db2.gz PIJNXYSGCZKGNI-UHFFFAOYSA-N 1 0 312.442 3.238 50 0 DGAARO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)Cc1ccon1 ZINC000084705648 545793800 /nfs/dbraw/zinc/79/38/00/545793800.db2.gz JNVZWDPBIUDILW-HOTGVXAUSA-N 1 0 313.445 3.263 50 0 DGAARO COC1(C[NH2+][C@@H](C)Cc2nc3ccccc3s2)CCOCC1 ZINC000090652101 545830382 /nfs/dbraw/zinc/83/03/82/545830382.db2.gz VFUOWFOLIDCSDW-ZDUSSCGKSA-N 1 0 320.458 3.013 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)c1ccsc1 ZINC000090955552 545833005 /nfs/dbraw/zinc/83/30/05/545833005.db2.gz KFBBGWFVBIADJS-DOMZBBRYSA-N 1 0 304.415 3.162 50 0 DGAARO O[C@H](C[NH2+][C@H]1CCc2c1cccc2Br)c1ccco1 ZINC000091281849 545835016 /nfs/dbraw/zinc/83/50/16/545835016.db2.gz KTPOAYVGIVDAGN-UONOGXRCSA-N 1 0 322.202 3.353 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC000170071218 546100228 /nfs/dbraw/zinc/10/02/28/546100228.db2.gz GDDMBZYALHMFDH-AWEZNQCLSA-N 1 0 306.409 3.357 50 0 DGAARO COc1ccccc1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193441356 546242758 /nfs/dbraw/zinc/24/27/58/546242758.db2.gz XJGOFDGIFHFGFD-SFHVURJKSA-N 1 0 320.392 3.278 50 0 DGAARO Cc1nc(CCNC(=O)CC[NH+]2CCCCCCC2)sc1C ZINC000220652821 546264139 /nfs/dbraw/zinc/26/41/39/546264139.db2.gz SKGATYLLHIOHOI-UHFFFAOYSA-N 1 0 323.506 3.075 50 0 DGAARO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000670434035 547753664 /nfs/dbraw/zinc/75/36/64/547753664.db2.gz FHMDVPQKCNZMNO-CYBMUJFWSA-N 1 0 312.442 3.409 50 0 DGAARO CNC(=O)C[C@H]1CC[N@H+](Cc2ccccc2-c2ccc(C)o2)C1 ZINC000670453283 547755690 /nfs/dbraw/zinc/75/56/90/547755690.db2.gz GHHUWRFOLLZWSC-OAHLLOKOSA-N 1 0 312.413 3.213 50 0 DGAARO CN(C[C@H]1CC[N@H+](C)C1)c1nc(-c2ccc(F)cc2)cs1 ZINC000670454400 547757109 /nfs/dbraw/zinc/75/71/09/547757109.db2.gz IKVYLZRXUMVCAF-LBPRGKRZSA-N 1 0 305.422 3.337 50 0 DGAARO CCOC(=O)N1CCC([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000670466138 547758178 /nfs/dbraw/zinc/75/81/78/547758178.db2.gz LSJXJMBUGCQTEY-OAHLLOKOSA-N 1 0 320.408 3.236 50 0 DGAARO CCCc1ccc(C[NH+]2CCC(O)(c3ccccn3)CC2)o1 ZINC000670471493 547759298 /nfs/dbraw/zinc/75/92/98/547759298.db2.gz GEGRASZJGIYTTA-UHFFFAOYSA-N 1 0 300.402 3.111 50 0 DGAARO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)on1 ZINC000685941378 549810239 /nfs/dbraw/zinc/81/02/39/549810239.db2.gz SGQJTKRSMHOUAK-CQSZACIVSA-N 1 0 321.421 3.005 50 0 DGAARO C[n+]1cccc([C@](C)(O)c2cccc(OCc3ccccc3)c2)c1 ZINC000526059868 563678886 /nfs/dbraw/zinc/67/88/86/563678886.db2.gz ZJYZVAJITHXFAK-OAQYLSRUSA-N 1 0 320.412 3.346 50 0 DGAARO Cc1csc([C@@H](C)CNC(=O)C2([NH+]3CCCC3)CCCC2)n1 ZINC000240163622 563776747 /nfs/dbraw/zinc/77/67/47/563776747.db2.gz JCQHKFWJDSSRIK-ZDUSSCGKSA-N 1 0 321.490 3.080 50 0 DGAARO Cc1c([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cnn1C(C)C ZINC000239762190 568416874 /nfs/dbraw/zinc/41/68/74/568416874.db2.gz CLFYJLYDPIKVRW-LBPRGKRZSA-N 1 0 315.421 3.114 50 0 DGAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccc(F)c(F)c1 ZINC000239672663 575999364 /nfs/dbraw/zinc/99/93/64/575999364.db2.gz BUNYGXSEUMBLAI-STQMWFEESA-N 1 0 308.372 3.415 50 0 DGAARO [NH3+]CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000888097899 618625434 /nfs/dbraw/zinc/62/54/34/618625434.db2.gz SGFYXVYQUFAHLZ-JLSDUUJJSA-N 1 0 324.399 3.408 50 0 DGAARO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000864091334 621735731 /nfs/dbraw/zinc/73/57/31/621735731.db2.gz SGISGTHFDGNOLM-GDBMZVCRSA-N 1 0 300.402 3.467 50 0 DGAARO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(COCC2CC2)c1 ZINC000073081909 660239103 /nfs/dbraw/zinc/23/91/03/660239103.db2.gz BZCWRQSNQWFXMQ-CQSZACIVSA-N 1 0 302.418 3.036 50 0 DGAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](C2CCC2)C1 ZINC000012055036 660494608 /nfs/dbraw/zinc/49/46/08/660494608.db2.gz KKHATHIYWYZITM-IBGZPJMESA-N 1 0 301.430 3.427 50 0 DGAARO O=C(CCC(F)(F)F)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012707711 660516156 /nfs/dbraw/zinc/51/61/56/660516156.db2.gz XCKVPTKZSQPWIA-AWEZNQCLSA-N 1 0 320.399 3.490 50 0 DGAARO COc1ccccc1Oc1ncccc1C[NH2+]C[C@H]1CCOC1 ZINC000012320602 660529401 /nfs/dbraw/zinc/52/94/01/660529401.db2.gz MWKKRODBNONJND-CQSZACIVSA-N 1 0 314.385 3.009 50 0 DGAARO O=C(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1=CCCCC1 ZINC000012612703 660958088 /nfs/dbraw/zinc/95/80/88/660958088.db2.gz IMSBTPYGXKNHSQ-IBGZPJMESA-N 1 0 324.468 3.235 50 0 DGAARO CCc1cc2c(c([C@@H](O)C[NH+]3CCCCC3)c1CC)OCCO2 ZINC000022078739 655599235 /nfs/dbraw/zinc/59/92/35/655599235.db2.gz OKTRVEJUVHRWPY-INIZCTEOSA-N 1 0 319.445 3.102 50 0 DGAARO COc1cc2c(c(CN(C)Cc3scnc3C)c1)O[C@H](C)C2 ZINC000179425452 655892798 /nfs/dbraw/zinc/89/27/98/655892798.db2.gz XBAADEIHPVSEPO-LLVKDONJSA-N 1 0 318.442 3.416 50 0 DGAARO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c3c(oc21)CCCC3 ZINC000003683669 655974745 /nfs/dbraw/zinc/97/47/45/655974745.db2.gz MGMPZNVPJOKGCC-CYBMUJFWSA-N 1 0 317.429 3.439 50 0 DGAARO C[N@H+](Cc1cccnc1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000019939984 656068481 /nfs/dbraw/zinc/06/84/81/656068481.db2.gz CWRJZSFJJQYGFY-GOSISDBHSA-N 1 0 313.420 3.317 50 0 DGAARO CC[NH+](CC)CC(=O)N[C@]1(C)CCCC[C@H]1c1ccc(O)cc1 ZINC000004829029 656387136 /nfs/dbraw/zinc/38/71/36/656387136.db2.gz UQINWEHNZRTUQN-PKOBYXMFSA-N 1 0 318.461 3.267 50 0 DGAARO Cc1c(C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000055292399 656873359 /nfs/dbraw/zinc/87/33/59/656873359.db2.gz HIJCXVCKUMRKIH-UHFFFAOYSA-N 1 0 321.424 3.116 50 0 DGAARO C(=C\c1ccccc1)\C[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000098009391 657724807 /nfs/dbraw/zinc/72/48/07/657724807.db2.gz IYFSZQRTJSBNPJ-DAXSKMNVSA-N 1 0 321.468 3.392 50 0 DGAARO Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+](CCO)C(C)C ZINC000014949579 658442070 /nfs/dbraw/zinc/44/20/70/658442070.db2.gz FXYCBFVQDIKVJG-UHFFFAOYSA-N 1 0 310.344 3.131 50 0 DGAARO Cc1ccc(OCCC[NH+]2CCN(C)CC2)c(C(C)(C)C)c1 ZINC000019791076 658681643 /nfs/dbraw/zinc/68/16/43/658681643.db2.gz MTKULDXAYMDWBP-UHFFFAOYSA-N 1 0 304.478 3.309 50 0 DGAARO CCn1ncc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1C ZINC000020450346 658714705 /nfs/dbraw/zinc/71/47/05/658714705.db2.gz WJDFRJSCKFBLIP-IBGZPJMESA-N 1 0 318.509 3.346 50 0 DGAARO CCC(CC)n1nc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000180400019 659961604 /nfs/dbraw/zinc/96/16/04/659961604.db2.gz DHUGQDONUBGGCO-AWEZNQCLSA-N 1 0 320.481 3.157 50 0 DGAARO Cc1n[nH]cc1C[N@@H+](C)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952966074 662209065 /nfs/dbraw/zinc/20/90/65/662209065.db2.gz BUTHAJPLTBOPCW-UHFFFAOYSA-N 1 0 316.792 3.257 50 0 DGAARO CC(C)(CN1CCO[C@H](c2ccccc2)C1)[NH+]1CCCCC1 ZINC000952976463 662209736 /nfs/dbraw/zinc/20/97/36/662209736.db2.gz FVKMJXHGTZHMFN-SFHVURJKSA-N 1 0 302.462 3.324 50 0 DGAARO CCOc1cc2c(cc1C[NH2+]Cc1cccc(CO)c1)CCC2 ZINC000952991650 662210640 /nfs/dbraw/zinc/21/06/40/662210640.db2.gz QHMOVJJGSKTGST-UHFFFAOYSA-N 1 0 311.425 3.356 50 0 DGAARO COc1ccc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)c(OC)c1 ZINC000089577288 662245264 /nfs/dbraw/zinc/24/52/64/662245264.db2.gz JYFCZCPRMHRCEK-LBPRGKRZSA-N 1 0 319.405 3.104 50 0 DGAARO CCCc1nc(C)c(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000091390849 662302303 /nfs/dbraw/zinc/30/23/03/662302303.db2.gz SHEPRLQTJRRFNH-AWEZNQCLSA-N 1 0 323.506 3.142 50 0 DGAARO CCCc1nc(C)c(CNC(=O)CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000091390850 662302517 /nfs/dbraw/zinc/30/25/17/662302517.db2.gz SHEPRLQTJRRFNH-CQSZACIVSA-N 1 0 323.506 3.142 50 0 DGAARO Cc1ccc(COc2ccccc2C[N@H+]2C[C@@H]3[C@@H](O)C[C@@H]3C2)cc1 ZINC001772701986 1176671328 /nfs/dbraw/zinc/67/13/28/1176671328.db2.gz QCTHRHXTWZDGGH-AABGKKOBSA-N 1 0 323.436 3.387 50 0 DGAARO Fc1ccc(N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)cc1F ZINC001506398696 1186221658 /nfs/dbraw/zinc/22/16/58/1186221658.db2.gz RCFNAVUMLMUIDH-HNNXBMFYSA-N 1 0 310.388 3.092 50 0 DGAARO C/C=C/C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3ncccc32)C1 ZINC001506403149 1186222238 /nfs/dbraw/zinc/22/22/38/1186222238.db2.gz WKQOVBCEPMSQCZ-WOMSROEHSA-N 1 0 323.440 3.253 50 0 DGAARO Cc1cccc(N2CCC([NH2+]CCCn3cccn3)CC2)c1C ZINC001506406248 1186222650 /nfs/dbraw/zinc/22/26/50/1186222650.db2.gz FNAZCJKROYSKCH-UHFFFAOYSA-N 1 0 312.461 3.149 50 0 DGAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@@H+]1CC ZINC001506403760 1186223625 /nfs/dbraw/zinc/22/36/25/1186223625.db2.gz NQQJZFXJTQPJKR-OAHLLOKOSA-N 1 0 318.440 3.051 50 0 DGAARO Cc1ncnc(N2CC[NH+](CCCCc3ccccc3)CC2)c1C ZINC001506412438 1186224154 /nfs/dbraw/zinc/22/41/54/1186224154.db2.gz YMJNHGKTMNHIFN-UHFFFAOYSA-N 1 0 324.472 3.238 50 0 DGAARO Cc1ccc(N2CC[C@H](C[NH2+]C3CSCCSC3)C2)cc1 ZINC001506410910 1186224463 /nfs/dbraw/zinc/22/44/63/1186224463.db2.gz YFYRQTPQHKBDCS-OAHLLOKOSA-N 1 0 322.543 3.260 50 0 DGAARO c1ccc(N2CC[C@H]([NH+]3CCC(Oc4ccncc4)CC3)C2)cc1 ZINC001506426616 1186226918 /nfs/dbraw/zinc/22/69/18/1186226918.db2.gz SPJUGQAHFZGRTB-SFHVURJKSA-N 1 0 323.440 3.204 50 0 DGAARO Fc1cnc(NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC001506421977 1186227282 /nfs/dbraw/zinc/22/72/82/1186227282.db2.gz XNRQNPPAMILMLM-QGZVFWFLSA-N 1 0 314.408 3.472 50 0 DGAARO Cc1cnc(C)c(N2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC001529126023 1187534670 /nfs/dbraw/zinc/53/46/70/1187534670.db2.gz NHULOAKMSRIBAP-GOSISDBHSA-N 1 0 310.445 3.497 50 0 DGAARO CCCn1ncc(C)c1NC(=O)[C@@H](C)[N@H+](C)C1CCCCC1 ZINC001529181338 1187539248 /nfs/dbraw/zinc/53/92/48/1187539248.db2.gz MIEUUHILCNOPKS-CQSZACIVSA-N 1 0 306.454 3.193 50 0 DGAARO CCCn1ncc(C)c1NC(=O)[C@H](C)[N@H+](C)C1CCCCC1 ZINC001529181336 1187539535 /nfs/dbraw/zinc/53/95/35/1187539535.db2.gz MIEUUHILCNOPKS-AWEZNQCLSA-N 1 0 306.454 3.193 50 0 DGAARO CCc1c(C)noc1NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001529191683 1187539985 /nfs/dbraw/zinc/53/99/85/1187539985.db2.gz BPGSYAHVPQFPIP-UHFFFAOYSA-N 1 0 307.438 3.431 50 0 DGAARO CC[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)C[C@@H]21 ZINC001704297729 1202519546 /nfs/dbraw/zinc/51/95/46/1202519546.db2.gz VVBPPGJPAJGPKQ-AYOQOUSVSA-N 1 0 319.445 3.077 50 0 DGAARO Cc1cc(C)c(C[N@@H+](C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c(C)c1 ZINC001704298451 1202519575 /nfs/dbraw/zinc/51/95/75/1202519575.db2.gz FTJYGNYLZLUFBD-FGTMMUONSA-N 1 0 314.473 3.301 50 0 DGAARO COc1cccc2c1C1(CC[NH+](Cc3ccccn3)CC1)OCC2 ZINC001704315881 1202520471 /nfs/dbraw/zinc/52/04/71/1202520471.db2.gz WZBPGOYPPYXZNI-UHFFFAOYSA-N 1 0 324.424 3.154 50 0 DGAARO Cc1cc(N[C@H]2CCCNC2=O)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC001704328031 1202521045 /nfs/dbraw/zinc/52/10/45/1202521045.db2.gz WGARVLCLCIPJGD-LBPRGKRZSA-N 1 0 323.318 3.253 50 0 DGAARO CCc1ccc(C[NH+]2CCC3(CC2)C[C@@](C)(O)CCO3)s1 ZINC001704329305 1202521447 /nfs/dbraw/zinc/52/14/47/1202521447.db2.gz PUSWRNSNUQEAJJ-INIZCTEOSA-N 1 0 309.475 3.207 50 0 DGAARO CC1=CC2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)OCC1 ZINC001704331046 1202521523 /nfs/dbraw/zinc/52/15/23/1202521523.db2.gz NBVUXEAABSPHPF-UHFFFAOYSA-N 1 0 313.401 3.371 50 0 DGAARO CO[C@H]1C[N@H+](CCC2CCCCC2)C[C@H]1Cc1cc(C)no1 ZINC001704340814 1202521648 /nfs/dbraw/zinc/52/16/48/1202521648.db2.gz VAFQKWSNXKSMJR-AEFFLSMTSA-N 1 0 306.450 3.443 50 0 DGAARO COCc1cc(C[NH+]2CCC(CSC)CC2)ccc1OC ZINC001704352018 1202522110 /nfs/dbraw/zinc/52/21/10/1202522110.db2.gz VQECBXVDIVBIOH-UHFFFAOYSA-N 1 0 309.475 3.417 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)c2ccncc2)CC1 ZINC000581808041 1083037666 /nfs/dbraw/zinc/03/76/66/1083037666.db2.gz JSSHOCWPDMQRKP-UHFFFAOYSA-N 1 0 324.428 3.016 50 0 DGAARO CCC[N@H+]1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[nH]c(=O)c1C2 ZINC000675011190 1083441072 /nfs/dbraw/zinc/44/10/72/1083441072.db2.gz QBPLPOZTKDONDT-CABCVRRESA-N 1 0 309.413 3.191 50 0 DGAARO CC(C)C[N@@H+]1CCCC[C@H]1CCNC(=O)CCC(F)(F)F ZINC000821259988 1091639869 /nfs/dbraw/zinc/63/98/69/1091639869.db2.gz CVIDXOZVWLUWHH-ZDUSSCGKSA-N 1 0 308.388 3.346 50 0 DGAARO CC1CC[NH+](Cc2ccc(-c3ncnn3-c3cccnc3)o2)CC1 ZINC000822421803 1091659926 /nfs/dbraw/zinc/65/99/26/1091659926.db2.gz PZNPJDURRIHVED-UHFFFAOYSA-N 1 0 323.400 3.154 50 0 DGAARO C[N@H+](CCc1nc2cc(Cl)ccc2[nH]1)Cc1ccncc1 ZINC000823715048 1091698240 /nfs/dbraw/zinc/69/82/40/1091698240.db2.gz JXCXCEXICFIEJL-UHFFFAOYSA-N 1 0 300.793 3.286 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CC34CCC4)cc2)CC1 ZINC000823764816 1091698624 /nfs/dbraw/zinc/69/86/24/1091698624.db2.gz IIOJADVUCQRGSH-QGZVFWFLSA-N 1 0 314.429 3.288 50 0 DGAARO Cc1cnc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000825248435 1091735372 /nfs/dbraw/zinc/73/53/72/1091735372.db2.gz LTIZDUZGXGOQBX-UHFFFAOYSA-N 1 0 310.401 3.023 50 0 DGAARO Cc1nc(C(=O)Nc2ccccc2C[NH+]2CCCC2)cs1 ZINC000825317506 1091738066 /nfs/dbraw/zinc/73/80/66/1091738066.db2.gz KNVCVKUYKBFFHM-UHFFFAOYSA-N 1 0 301.415 3.300 50 0 DGAARO O=C(NCCc1ccc(Cl)cc1)C1([NH+]2CCCC2)CCCC1 ZINC000825539365 1091742232 /nfs/dbraw/zinc/74/22/32/1091742232.db2.gz XQCRVAWGTJPWHV-UHFFFAOYSA-N 1 0 320.864 3.407 50 0 DGAARO Cc1nccn1C[C@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000826588604 1091755336 /nfs/dbraw/zinc/75/53/36/1091755336.db2.gz GPORCUCGCGFBNQ-AWEZNQCLSA-N 1 0 317.408 3.263 50 0 DGAARO COCc1ncc(C)n1C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000575547961 1092048819 /nfs/dbraw/zinc/04/88/19/1092048819.db2.gz CALALRLFGNXVKN-MRXNPFEDSA-N 1 0 305.466 3.383 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccnc3)CC2)CC1 ZINC000581788205 1092271905 /nfs/dbraw/zinc/27/19/05/1092271905.db2.gz XNPUVMLZTHKXOX-QGZVFWFLSA-N 1 0 315.461 3.056 50 0 DGAARO COc1cccc(C(=O)N2CCCCC[C@H]2C[NH+]2CCCC2)c1 ZINC000581788122 1092272685 /nfs/dbraw/zinc/27/26/85/1092272685.db2.gz UEMVIAHRWJXVIM-KRWDZBQOSA-N 1 0 316.445 3.176 50 0 DGAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000581807476 1092280126 /nfs/dbraw/zinc/28/01/26/1092280126.db2.gz NKAMEZZZAYBJIS-SFHVURJKSA-N 1 0 311.429 3.296 50 0 DGAARO Cc1c[nH+]c(C)n1C[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581807549 1092281222 /nfs/dbraw/zinc/28/12/22/1092281222.db2.gz JZYLKQAUOYZQQX-INIZCTEOSA-N 1 0 303.450 3.319 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000581807743 1092281616 /nfs/dbraw/zinc/28/16/16/1092281616.db2.gz RJYOYCUMMFRQGE-OAHLLOKOSA-N 1 0 315.461 3.498 50 0 DGAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)CC(C)C)CCO2 ZINC000581819991 1092285627 /nfs/dbraw/zinc/28/56/27/1092285627.db2.gz SUWGWIDHAMQZSH-UHFFFAOYSA-N 1 0 318.461 3.296 50 0 DGAARO Cc1coc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)c1C ZINC000585083062 1094973067 /nfs/dbraw/zinc/97/30/67/1094973067.db2.gz LVLQZDOCYAYZKG-QGZVFWFLSA-N 1 0 312.413 3.291 50 0 DGAARO CC[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(OC)cn1 ZINC000585085422 1094985139 /nfs/dbraw/zinc/98/51/39/1094985139.db2.gz MAWWNWGMCAZGKB-WMZOPIPTSA-N 1 0 314.429 3.297 50 0 DGAARO COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@H](C)c2ccsc2)cn1 ZINC000585090428 1094996232 /nfs/dbraw/zinc/99/62/32/1094996232.db2.gz MVBRNSBFHSUGQX-DIOULYMOSA-N 1 0 304.415 3.333 50 0 DGAARO COc1ccc2[nH]c(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)cc2c1 ZINC000952872259 1096782875 /nfs/dbraw/zinc/78/28/75/1096782875.db2.gz LMJXGMSKJOFKOF-UHFFFAOYSA-N 1 0 322.368 3.449 50 0 DGAARO CCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)no2)C1 ZINC000952877433 1096783948 /nfs/dbraw/zinc/78/39/48/1096783948.db2.gz PVFNBWPURVMDKJ-ZDUSSCGKSA-N 1 0 301.390 3.335 50 0 DGAARO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(Br)ccn1 ZINC000952877053 1096784448 /nfs/dbraw/zinc/78/44/48/1096784448.db2.gz LCZLKZMZOCCYSD-YGRLFVJLSA-N 1 0 313.239 3.046 50 0 DGAARO COc1ccccc1-c1cnnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000952879437 1096785080 /nfs/dbraw/zinc/78/50/80/1096785080.db2.gz QTUHVAGTDGFHJQ-CVEARBPZSA-N 1 0 324.428 3.191 50 0 DGAARO COCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C1CC1 ZINC000952880935 1096785414 /nfs/dbraw/zinc/78/54/14/1096785414.db2.gz MUOYYJMPJRZQSK-GOSISDBHSA-N 1 0 305.418 3.050 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(ccn2C(C)C)c1 ZINC000095472994 185372866 /nfs/dbraw/zinc/37/28/66/185372866.db2.gz HPHOHCLFCGCMOD-QGZVFWFLSA-N 1 0 313.445 3.436 50 0 DGAARO c1cn(Cc2ccncc2)c([C@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000095499910 185374628 /nfs/dbraw/zinc/37/46/28/185374628.db2.gz DRCALIYZRDNVCQ-KRWDZBQOSA-N 1 0 319.412 3.105 50 0 DGAARO CN(CC1([NH+]2CCCCC2)CCCCC1)c1nc(CO)cs1 ZINC000095506494 185375619 /nfs/dbraw/zinc/37/56/19/185375619.db2.gz BBAAJHNUQMVADO-UHFFFAOYSA-N 1 0 323.506 3.260 50 0 DGAARO Cc1ccc(-c2ccccc2NC(=O)NCC[NH+]2CCCC2)o1 ZINC000095511133 185376159 /nfs/dbraw/zinc/37/61/59/185376159.db2.gz OXKUBBNEXGVFAF-UHFFFAOYSA-N 1 0 313.401 3.472 50 0 DGAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1cccc2cccnc21 ZINC000062001493 432003338 /nfs/dbraw/zinc/00/33/38/432003338.db2.gz OKWNDTMHYVBTOU-AZUAARDMSA-N 1 0 315.376 3.159 50 0 biogenic DGAARO CC(=O)Nc1cccc(-c2nc3ccc(C)cn3c2C[NH+](C)C)c1 ZINC000082238085 185174396 /nfs/dbraw/zinc/17/43/96/185174396.db2.gz YLYYOAISEOJGFN-UHFFFAOYSA-N 1 0 322.412 3.330 50 0 DGAARO CN(Cc1ccccn1)C(=O)CC[C@H](c1ccccc1)[NH+](C)C ZINC000328592732 231234226 /nfs/dbraw/zinc/23/42/26/231234226.db2.gz BGFDVRWBWLKQRB-GOSISDBHSA-N 1 0 311.429 3.123 50 0 DGAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000063193305 432005284 /nfs/dbraw/zinc/00/52/84/432005284.db2.gz NCTFUGXKQYIQQV-MFKMUULPSA-N 1 0 300.324 3.047 50 0 DGAARO O[C@@H](C[N@@H+](Cc1ccccc1)C[C@H]1CCOC1)c1cccs1 ZINC000088604414 185259758 /nfs/dbraw/zinc/25/97/58/185259758.db2.gz BYZJGJKXEWJCCS-SJORKVTESA-N 1 0 317.454 3.320 50 0 DGAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000089948961 185270857 /nfs/dbraw/zinc/27/08/57/185270857.db2.gz VZBIYSRSXNVHFT-RISCZKNCSA-N 1 0 310.825 3.060 50 0 DGAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000089949105 185271073 /nfs/dbraw/zinc/27/10/73/185271073.db2.gz ZNZOGGDDTDFERD-HIFRSBDPSA-N 1 0 323.506 3.177 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCCc2cccs2)C1 ZINC000082097510 192355471 /nfs/dbraw/zinc/35/54/71/192355471.db2.gz GKHCRCRTUDFVSU-CQSZACIVSA-N 1 0 306.475 3.156 50 0 DGAARO Cc1ccc(O[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000005002359 190620511 /nfs/dbraw/zinc/62/05/11/190620511.db2.gz OYKKPXHXGYKYDM-AWEZNQCLSA-N 1 0 318.461 3.188 50 0 DGAARO Cc1cccc(OC[C@@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000007015488 190627176 /nfs/dbraw/zinc/62/71/76/190627176.db2.gz UXRVMLGSHSRAGA-AZRLCKCBSA-N 1 0 315.457 3.293 50 0 DGAARO CCn1cc(C[N@H+](C)C2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000092762728 185338733 /nfs/dbraw/zinc/33/87/33/185338733.db2.gz ZVUSRIXHJPJGRN-UHFFFAOYSA-N 1 0 316.424 3.143 50 0 DGAARO C[C@@H](CC[C@H]1CCCO1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000095393608 185352148 /nfs/dbraw/zinc/35/21/48/185352148.db2.gz YPKWTKUVHDVFOP-GOEBONIOSA-N 1 0 305.418 3.285 50 0 DGAARO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2CCSCC2)C1=O ZINC000095398196 185353513 /nfs/dbraw/zinc/35/35/13/185353513.db2.gz FAEHTTRUVPCCCP-HNNXBMFYSA-N 1 0 322.449 3.115 50 0 DGAARO COC(=O)N1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000095420834 185360427 /nfs/dbraw/zinc/36/04/27/185360427.db2.gz BHRCRQQFVIHIRD-LBPRGKRZSA-N 1 0 302.374 3.314 50 0 DGAARO COc1cccc(N2CCC([NH2+][C@H](C)CC(C)(C)OC)CC2)c1 ZINC000095421278 185360309 /nfs/dbraw/zinc/36/03/09/185360309.db2.gz LYWMBWQPBYLZGL-OAHLLOKOSA-N 1 0 320.477 3.457 50 0 DGAARO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000095421000 185360324 /nfs/dbraw/zinc/36/03/24/185360324.db2.gz YZXIISCNJBDBFX-ZJUUUORDSA-N 1 0 302.340 3.059 50 0 DGAARO FC(F)(F)COc1ccc(C[NH2+]Cc2cncs2)cc1 ZINC000095425747 185361673 /nfs/dbraw/zinc/36/16/73/185361673.db2.gz ODNOYACSSKKQIO-UHFFFAOYSA-N 1 0 302.321 3.374 50 0 DGAARO Cc1[nH+]c2cc(NCc3c[nH]nc3-c3cccnc3)ccc2n1C ZINC000095429312 185362632 /nfs/dbraw/zinc/36/26/32/185362632.db2.gz VRQANBOGJJIQQD-UHFFFAOYSA-N 1 0 318.384 3.279 50 0 DGAARO CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000095431930 185363451 /nfs/dbraw/zinc/36/34/51/185363451.db2.gz AEYFRRUMEQUPLU-MAUKXSAKSA-N 1 0 302.418 3.092 50 0 DGAARO COC(=O)N1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000095420827 185360608 /nfs/dbraw/zinc/36/06/08/185360608.db2.gz AYAJCXGTFNIMLW-UONOGXRCSA-N 1 0 320.433 3.008 50 0 DGAARO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2C)C1 ZINC000095444051 185367116 /nfs/dbraw/zinc/36/71/16/185367116.db2.gz CTXTVPVUAQGOAY-YJBOKZPZSA-N 1 0 315.413 3.368 50 0 DGAARO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cnn(C)c1C ZINC000095440164 185366008 /nfs/dbraw/zinc/36/60/08/185366008.db2.gz UFXXZKHITOSQFH-MRXNPFEDSA-N 1 0 322.840 3.114 50 0 DGAARO Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1[C@H]1CCOC1 ZINC000063869956 432007478 /nfs/dbraw/zinc/00/74/78/432007478.db2.gz JOHRWCUPMYAOFQ-HNNXBMFYSA-N 1 0 306.369 3.142 50 0 DGAARO Cc1ccsc1[C@H](C)[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC000097017129 185397410 /nfs/dbraw/zinc/39/74/10/185397410.db2.gz IXVGHPZUYPKFKB-ZDUSSCGKSA-N 1 0 323.483 3.353 50 0 DGAARO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000097033149 185399819 /nfs/dbraw/zinc/39/98/19/185399819.db2.gz OFJZIGIXVAIKIF-MRVPVSSYSA-N 1 0 324.787 3.108 50 0 DGAARO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccncc1 ZINC000097038853 185401374 /nfs/dbraw/zinc/40/13/74/185401374.db2.gz OGLILNQDAONHQJ-AWEZNQCLSA-N 1 0 312.417 3.123 50 0 DGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000170048418 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CCOCC[N@@H+]1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 ZINC000067769764 190720667 /nfs/dbraw/zinc/72/06/67/190720667.db2.gz CAODNGDYIFYZIF-HNNXBMFYSA-N 1 0 307.459 3.340 50 0 DGAARO C[C@@H](c1cccc(O)c1)[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC000170612234 197790752 /nfs/dbraw/zinc/79/07/52/197790752.db2.gz MLWACHMZGLKDPZ-AWEZNQCLSA-N 1 0 305.418 3.318 50 0 DGAARO CCSc1cccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000104171266 432014439 /nfs/dbraw/zinc/01/44/39/432014439.db2.gz REHQPCAIYZLMDU-OAHLLOKOSA-N 1 0 317.458 3.277 50 0 DGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@H]1CCO ZINC000104345980 432016994 /nfs/dbraw/zinc/01/69/94/432016994.db2.gz ZNCJAMIOKVFHMR-GOSISDBHSA-N 1 0 322.880 3.175 50 0 DGAARO C[N@H+](Cc1ccc(Br)s1)CC1(O)CCCC1 ZINC000083862657 192387316 /nfs/dbraw/zinc/38/73/16/192387316.db2.gz RPPFLIMPNPTDRG-UHFFFAOYSA-N 1 0 304.253 3.248 50 0 DGAARO CC(C)[C@@H]1CN(C(=O)C2CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071750311 191022723 /nfs/dbraw/zinc/02/27/23/191022723.db2.gz JIPSMHZRRPZJAL-SFHVURJKSA-N 1 0 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DPCWHFYUMUKNHU-JTQLQIEISA-N 1 0 316.430 3.130 50 0 DGAARO Cc1cccc(Cl)c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000448940387 239939860 /nfs/dbraw/zinc/93/98/60/239939860.db2.gz ZPYKMTWYMMVHBZ-AWEZNQCLSA-N 1 0 306.837 3.349 50 0 DGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000006703562 181374206 /nfs/dbraw/zinc/37/42/06/181374206.db2.gz COLCBCDOOXAOSZ-MRXNPFEDSA-N 1 0 305.418 3.121 50 0 DGAARO C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000449338302 240140832 /nfs/dbraw/zinc/14/08/32/240140832.db2.gz VAQHGYMNCCVPMO-HOCLYGCPSA-N 1 0 302.393 3.466 50 0 DGAARO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)nc2)C[C@@]1(O)C1CCC1 ZINC000091381839 193049125 /nfs/dbraw/zinc/04/91/25/193049125.db2.gz ICTPAZRCAHICJD-ABAIWWIYSA-N 1 0 314.351 3.083 50 0 DGAARO CCCc1ccc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)o1 ZINC000091441410 193056460 /nfs/dbraw/zinc/05/64/60/193056460.db2.gz CKQPYAHBHXHMSJ-BEFAXECRSA-N 1 0 321.461 3.232 50 0 DGAARO c1csc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n1 ZINC000091643409 193083479 /nfs/dbraw/zinc/08/34/79/193083479.db2.gz CPGUHHNHUZMUNX-DLBZAZTESA-N 1 0 313.470 3.240 50 0 DGAARO Cc1csc([C@H](C)N(C)C(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000091725958 193097768 /nfs/dbraw/zinc/09/77/68/193097768.db2.gz FVFLVRUFVUACJX-ZDUSSCGKSA-N 1 0 309.479 3.091 50 0 DGAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1F ZINC000091629886 193081859 /nfs/dbraw/zinc/08/18/59/193081859.db2.gz WBLDHBSEKFJYKG-CYBMUJFWSA-N 1 0 318.371 3.271 50 0 DGAARO COCC[N@@H+](Cc1cc(=O)c2cc(C)cc(C)c2[nH]1)CC1CC1 ZINC000092001717 193139169 /nfs/dbraw/zinc/13/91/69/193139169.db2.gz PCCQABXHIZHJOT-UHFFFAOYSA-N 1 0 314.429 3.003 50 0 DGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)cc1Cl)C2 ZINC000092065430 193150946 /nfs/dbraw/zinc/15/09/46/193150946.db2.gz OVSRFPVAHOETSB-TZMCWYRMSA-N 1 0 324.827 3.426 50 0 DGAARO CSc1ccccc1NC(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000092077413 193153420 /nfs/dbraw/zinc/15/34/20/193153420.db2.gz RUBVCNZGUJOFHO-DZGCQCFKSA-N 1 0 321.490 3.458 50 0 DGAARO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1-c1ccccc1 ZINC000092072601 193154323 /nfs/dbraw/zinc/15/43/23/193154323.db2.gz OVXYIAOTXKAMEB-MRXNPFEDSA-N 1 0 321.428 3.283 50 0 DGAARO Cc1cncc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000190014126 432113051 /nfs/dbraw/zinc/11/30/51/432113051.db2.gz IAWIIXDQFWMOKG-CQSZACIVSA-N 1 0 324.350 3.442 50 0 DGAARO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(C)c1 ZINC000092075836 284004784 /nfs/dbraw/zinc/00/47/84/284004784.db2.gz MSIOIUOIXDKCOX-LJQANCHMSA-N 1 0 308.425 3.367 50 0 DGAARO c1cc2ncc(C[N@@H+]3CC[C@H](Oc4ccncc4)C3)cc2s1 ZINC000093866090 193321414 /nfs/dbraw/zinc/32/14/14/193321414.db2.gz OSYGNRRMCQXXEV-HNNXBMFYSA-N 1 0 311.410 3.345 50 0 DGAARO Cc1cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc[nH+]1 ZINC000095387202 193441854 /nfs/dbraw/zinc/44/18/54/193441854.db2.gz GTGAXYKVRBDORG-UHFFFAOYSA-N 1 0 313.445 3.009 50 0 DGAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1csc(C)n1)CC2 ZINC000095973564 193468742 /nfs/dbraw/zinc/46/87/42/193468742.db2.gz LOWLRDCHQSAMOD-HNNXBMFYSA-N 1 0 302.443 3.150 50 0 DGAARO CC[NH+](CC)C1CCN(C(=O)[C@@H]2CSc3ccccc32)CC1 ZINC000096411234 193624459 /nfs/dbraw/zinc/62/44/59/193624459.db2.gz ZAOJVVIOROYPSW-MRXNPFEDSA-N 1 0 318.486 3.209 50 0 DGAARO C/C(=C\c1ccccc1)C[NH2+]CCc1nnc2n1CCCCC2 ZINC000096403685 193619964 /nfs/dbraw/zinc/61/99/64/193619964.db2.gz FKJMJDZTNZYJQO-JQIJEIRASA-N 1 0 310.445 3.240 50 0 DGAARO C[NH+]1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000016580527 182051116 /nfs/dbraw/zinc/05/11/16/182051116.db2.gz FQYFMZDGQYQSHF-UHFFFAOYSA-N 1 0 308.834 3.379 50 0 DGAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2CC ZINC000016648049 182055286 /nfs/dbraw/zinc/05/52/86/182055286.db2.gz VQNWSPBCTYFQEK-UHFFFAOYSA-N 1 0 300.406 3.001 50 0 DGAARO COc1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc(OC)c1 ZINC000019703076 182137834 /nfs/dbraw/zinc/13/78/34/182137834.db2.gz SQZSGELVDMKNLT-IBGZPJMESA-N 1 0 313.397 3.107 50 0 biogenic DGAARO CCC[N@H+](CCC1N=NC(=S)N1c1ccccc1)CC1CC1 ZINC000019720904 182138332 /nfs/dbraw/zinc/13/83/32/182138332.db2.gz YEPLLHXYAOGOII-UHFFFAOYSA-N 1 0 316.474 3.221 50 0 DGAARO COc1cc(OC)cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019608359 182133679 /nfs/dbraw/zinc/13/36/79/182133679.db2.gz DCNKZXPWASLNNH-GOSISDBHSA-N 1 0 308.381 3.420 50 0 DGAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CC[NH+](C)CC1 ZINC000019878989 182159923 /nfs/dbraw/zinc/15/99/23/182159923.db2.gz ORIBYXUGQOLVKU-HXUWFJFHSA-N 1 0 320.440 3.208 50 0 DGAARO COc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000019894183 182161536 /nfs/dbraw/zinc/16/15/36/182161536.db2.gz GIZDIACKJIGXHB-UHFFFAOYSA-N 1 0 320.433 3.184 50 0 DGAARO O=C1C[C@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019989926 182174335 /nfs/dbraw/zinc/17/43/35/182174335.db2.gz CSTTZOUIEVPYSR-HNNXBMFYSA-N 1 0 320.820 3.142 50 0 DGAARO CC(C)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100392 182187124 /nfs/dbraw/zinc/18/71/24/182187124.db2.gz BOIPHTHKSROUEG-UHFFFAOYSA-N 1 0 308.853 3.324 50 0 DGAARO Fc1cc(F)c(CCN2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000020364095 182211706 /nfs/dbraw/zinc/21/17/06/182211706.db2.gz RBKYQXXPKHAXRQ-UHFFFAOYSA-N 1 0 312.379 3.207 50 0 DGAARO C/C=C/c1ccc(OCCCC[NH2+]CCN(C)C)c(OC)c1 ZINC000020418810 182216068 /nfs/dbraw/zinc/21/60/68/182216068.db2.gz ZNUDUWAYZZUBRB-VMPITWQZSA-N 1 0 306.450 3.039 50 0 DGAARO Fc1ccc(-n2cccn2)c(C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000020601149 182236549 /nfs/dbraw/zinc/23/65/49/182236549.db2.gz OJCYVWLTZJGKNT-KRWDZBQOSA-N 1 0 323.371 3.105 50 0 DGAARO Cc1cc(C)cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c1 ZINC000020778845 182246932 /nfs/dbraw/zinc/24/69/32/182246932.db2.gz MPPKHPANNQCGJP-IBGZPJMESA-N 1 0 318.505 3.218 50 0 DGAARO C[C@@H]1CCC[C@]2(C1)NCC[NH+]=C2NCc1ccc(Cl)cc1 ZINC000021883572 182296339 /nfs/dbraw/zinc/29/63/39/182296339.db2.gz GAZBEXRNRSTXFV-CXAGYDPISA-N 1 0 305.853 3.380 50 0 DGAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000022014194 182303623 /nfs/dbraw/zinc/30/36/23/182303623.db2.gz QRRFZVBJAMOJFL-IBGZPJMESA-N 1 0 308.425 3.406 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1O ZINC000021961626 182300212 /nfs/dbraw/zinc/30/02/12/182300212.db2.gz VYMHCSWWCAMKRX-UHFFFAOYSA-N 1 0 324.424 3.308 50 0 DGAARO CCOC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000022200490 182312807 /nfs/dbraw/zinc/31/28/07/182312807.db2.gz NHGDGANPIYJHPR-HNNXBMFYSA-N 1 0 315.335 3.181 50 0 DGAARO COc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000022766876 182333962 /nfs/dbraw/zinc/33/39/62/182333962.db2.gz CZCBCUVIHXYMRG-OAHLLOKOSA-N 1 0 319.430 3.181 50 0 DGAARO COc1cc(C[NH2+][C@@H](C)c2cccs2)cc2c1OCCO2 ZINC000022778706 182333989 /nfs/dbraw/zinc/33/39/89/182333989.db2.gz MCPOEZKNAFMOIH-NSHDSACASA-N 1 0 305.399 3.379 50 0 DGAARO Cc1ccc2cc(CN3CC[NH+](C)CC3)c(Cl)nc2c1C ZINC000022876106 182339094 /nfs/dbraw/zinc/33/90/94/182339094.db2.gz UPLGFKPDABKCOK-UHFFFAOYSA-N 1 0 303.837 3.252 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)C1CCCC1)c1cccc(OC)c1 ZINC000023182513 182352579 /nfs/dbraw/zinc/35/25/79/182352579.db2.gz VEUBQXBLCRAEQQ-GOSISDBHSA-N 1 0 318.461 3.385 50 0 DGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000023127970 182349040 /nfs/dbraw/zinc/34/90/40/182349040.db2.gz QOGCEDIXNLKGCF-UHFFFAOYSA-N 1 0 322.399 3.349 50 0 DGAARO c1cn(CC[NH+]2CCCC2)nc1-c1cccc(-c2cnccn2)c1 ZINC000023337440 182357682 /nfs/dbraw/zinc/35/76/82/182357682.db2.gz IPAYYZMUOPLESO-UHFFFAOYSA-N 1 0 319.412 3.103 50 0 DGAARO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000023701320 182366814 /nfs/dbraw/zinc/36/68/14/182366814.db2.gz XYQYHMMLYHMMLX-HNNXBMFYSA-N 1 0 300.427 3.356 50 0 DGAARO CCc1ccc([C@@H](CNC(=O)/C=C/c2ccco2)[NH+](C)C)cc1 ZINC000032735579 182656982 /nfs/dbraw/zinc/65/69/82/182656982.db2.gz UPZYMXGXEQPWBT-IENJSVCTSA-N 1 0 312.413 3.274 50 0 DGAARO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)sc2nc(C)cc(C)c12 ZINC000040024500 183028369 /nfs/dbraw/zinc/02/83/69/183028369.db2.gz JIOBKUZVJMQFQZ-UHFFFAOYSA-N 1 0 319.474 3.292 50 0 DGAARO CC1CC[NH+](CCNC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000040097494 183034346 /nfs/dbraw/zinc/03/43/46/183034346.db2.gz WIAQJFFYKXAOSC-UHFFFAOYSA-N 1 0 313.804 3.333 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000040107596 183036253 /nfs/dbraw/zinc/03/62/53/183036253.db2.gz USLIWNFTHRLLND-TXEJJXNPSA-N 1 0 312.816 3.187 50 0 DGAARO O=C(CCCc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040107262 183036343 /nfs/dbraw/zinc/03/63/43/183036343.db2.gz UPKORVHKLVWYLR-HXUWFJFHSA-N 1 0 322.452 3.400 50 0 DGAARO Cc1cccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)NC4CC4)CC3)c21 ZINC000040118737 183037780 /nfs/dbraw/zinc/03/77/80/183037780.db2.gz DHIJWYAUWHVZSU-CQSZACIVSA-N 1 0 323.440 3.233 50 0 DGAARO Cc1ccc(O[C@H](C)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000041297631 183183950 /nfs/dbraw/zinc/18/39/50/183183950.db2.gz WDSATKZLTKEDHR-MRXNPFEDSA-N 1 0 318.461 3.143 50 0 DGAARO O=C(Cc1ccsc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000041363824 183186626 /nfs/dbraw/zinc/18/66/26/183186626.db2.gz CRJBVYMVUUNCGE-UHFFFAOYSA-N 1 0 320.483 3.087 50 0 DGAARO COc1cccc([C@H](CNC(=O)/C=C/c2ccccc2)[NH+](C)C)c1 ZINC000041800113 183220562 /nfs/dbraw/zinc/22/05/62/183220562.db2.gz GTXZTJKYPIHWTQ-HYSAVQALSA-N 1 0 324.424 3.128 50 0 DGAARO Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000136226671 432150239 /nfs/dbraw/zinc/15/02/39/432150239.db2.gz URKBEPNAIQSCJM-ZBFHGGJFSA-N 1 0 306.837 3.139 50 0 DGAARO Fc1cc(Br)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042773596 183307161 /nfs/dbraw/zinc/30/71/61/183307161.db2.gz HVEJOURRRNPSNX-JTQLQIEISA-N 1 0 302.187 3.357 50 0 DGAARO COc1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042770168 183307278 /nfs/dbraw/zinc/30/72/78/183307278.db2.gz ZSNOHCUNAOATSH-UHFFFAOYSA-N 1 0 314.223 3.226 50 0 DGAARO CCN(Cc1ccco1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043145945 183341471 /nfs/dbraw/zinc/34/14/71/183341471.db2.gz NUFVPTLTNQYZCJ-CQSZACIVSA-N 1 0 321.446 3.176 50 0 DGAARO CC(C)CC[N@@H+]1CCN(CCCc2ccccc2)C[C@H]1CCO ZINC000104389425 194005312 /nfs/dbraw/zinc/00/53/12/194005312.db2.gz SMXRFBSCDJHLAW-HXUWFJFHSA-N 1 0 318.505 3.034 50 0 DGAARO COc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000106073621 194183739 /nfs/dbraw/zinc/18/37/39/194183739.db2.gz YQNXDWQYWISASY-UONOGXRCSA-N 1 0 305.422 3.080 50 0 DGAARO Cc1ccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1F ZINC000106410128 194209996 /nfs/dbraw/zinc/20/99/96/194209996.db2.gz LCJYLOSMGRERNY-ZDUSSCGKSA-N 1 0 304.331 3.108 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCc2ccccc2F)C1 ZINC000048267582 183635393 /nfs/dbraw/zinc/63/53/93/183635393.db2.gz FULSEZSWWCAXLE-HZPDHXFCSA-N 1 0 320.452 3.243 50 0 DGAARO CC[N@H+](C[C@H]1CCOC1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000106642577 194239988 /nfs/dbraw/zinc/23/99/88/194239988.db2.gz KHTYKGGMEKPUPZ-ZIAGYGMSSA-N 1 0 301.390 3.156 50 0 DGAARO CCN(C(=O)c1cccnc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630784 194239168 /nfs/dbraw/zinc/23/91/68/194239168.db2.gz KYFVMMLIPLEDTF-VQIMIIECSA-N 1 0 323.440 3.379 50 0 DGAARO CCC[NH+](CCC)Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000055060942 183961120 /nfs/dbraw/zinc/96/11/20/183961120.db2.gz CKEVFSDKXSMUJE-SFHVURJKSA-N 1 0 318.461 3.217 50 0 DGAARO CCOc1ncccc1C[NH2+]Cc1c(C)cc(C)c(CO)c1C ZINC000055413348 183985683 /nfs/dbraw/zinc/98/56/83/183985683.db2.gz ZXOFHOGSYBAPKF-UHFFFAOYSA-N 1 0 314.429 3.188 50 0 DGAARO Cn1c(SCC[C@@H]2CCCC[N@@H+]2C)nnc1-c1ccco1 ZINC000057652320 184043908 /nfs/dbraw/zinc/04/39/08/184043908.db2.gz HMBJUHKPQBTSAU-LBPRGKRZSA-N 1 0 306.435 3.042 50 0 DGAARO C[C@@H](CNC(=O)Cc1ccccc1Cl)[NH+]1CCC(C)CC1 ZINC000058004615 184066324 /nfs/dbraw/zinc/06/63/24/184066324.db2.gz OZEBRUYZKQGBGT-AWEZNQCLSA-N 1 0 308.853 3.119 50 0 DGAARO O=C(CCCc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058357958 184108886 /nfs/dbraw/zinc/10/88/86/184108886.db2.gz ASBRDHZSNAUNHP-GOSISDBHSA-N 1 0 300.446 3.096 50 0 DGAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058377686 184110027 /nfs/dbraw/zinc/11/00/27/184110027.db2.gz OJXYXPODKAUEDR-UONOGXRCSA-N 1 0 310.401 3.330 50 0 DGAARO CC[NH+](CC)CCOc1cc(NC(=O)C(C)(C)C)ccc1OC ZINC000058312944 184104126 /nfs/dbraw/zinc/10/41/26/184104126.db2.gz VGZYFUMWLBSETC-UHFFFAOYSA-N 1 0 322.449 3.400 50 0 DGAARO COc1c(C[NH2+][C@H]2C[C@@H]2c2ccc(F)cc2)c(C(C)C)nn1C ZINC000058421524 184116128 /nfs/dbraw/zinc/11/61/28/184116128.db2.gz LEEBKBCHHBKOQZ-ZBFHGGJFSA-N 1 0 317.408 3.337 50 0 DGAARO COc1cccc([C@H](CNc2cc(Cl)nc(C)n2)[NH+](C)C)c1 ZINC000060340058 184146575 /nfs/dbraw/zinc/14/65/75/184146575.db2.gz QVMIONVZXJJHIL-AWEZNQCLSA-N 1 0 320.824 3.162 50 0 DGAARO COc1ccc(C)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000060099657 184144177 /nfs/dbraw/zinc/14/41/77/184144177.db2.gz FOUGWYMLXRMFLJ-UHFFFAOYSA-N 1 0 317.458 3.172 50 0 DGAARO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114786 184206622 /nfs/dbraw/zinc/20/66/22/184206622.db2.gz YIEPBEJGEPRJJV-ZJUUUORDSA-N 1 0 301.217 3.122 50 0 DGAARO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCO3)c2C1 ZINC000062640018 184246150 /nfs/dbraw/zinc/24/61/50/184246150.db2.gz OWCDQLRPFNIXEL-QGZVFWFLSA-N 1 0 302.418 3.166 50 0 DGAARO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590846 184301295 /nfs/dbraw/zinc/30/12/95/184301295.db2.gz FFDUZFXJZPGESA-UHFFFAOYSA-N 1 0 321.424 3.333 50 0 DGAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccc(Cl)s1 ZINC000065288700 184323071 /nfs/dbraw/zinc/32/30/71/184323071.db2.gz ATSUACBZEHHIFC-LLVKDONJSA-N 1 0 300.855 3.348 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000065363351 184328807 /nfs/dbraw/zinc/32/88/07/184328807.db2.gz XWQKSMMYHMYCGW-UHFFFAOYSA-N 1 0 310.397 3.412 50 0 DGAARO CCCCn1ncc(C)c1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000065371528 184330157 /nfs/dbraw/zinc/33/01/57/184330157.db2.gz DVZQHDWYAPCUHZ-UHFFFAOYSA-N 1 0 314.433 3.306 50 0 DGAARO C[C@@H](CCc1ccccc1)[NH2+]CCc1nc(-c2ccccn2)no1 ZINC000065381900 184331818 /nfs/dbraw/zinc/33/18/18/184331818.db2.gz TYTZANIEUXVONM-HNNXBMFYSA-N 1 0 322.412 3.285 50 0 DGAARO CC[NH+]1CCC(CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000065380303 184332121 /nfs/dbraw/zinc/33/21/21/184332121.db2.gz LSVTTWHJVCNRSE-UHFFFAOYSA-N 1 0 308.853 3.420 50 0 DGAARO CC(C)c1nc(CN(C)C(=O)C2CC[NH+](C(C)C)CC2)cs1 ZINC000065417298 184341525 /nfs/dbraw/zinc/34/15/25/184341525.db2.gz ZLUHCHRBOZOXNY-UHFFFAOYSA-N 1 0 323.506 3.345 50 0 DGAARO CC[C@@H]([NH2+]Cc1cc(C)c(OC(C)=O)c(C)c1)c1ccnn1C ZINC000065453509 184346686 /nfs/dbraw/zinc/34/66/86/184346686.db2.gz VZOQJGKBQWYFDW-MRXNPFEDSA-N 1 0 315.417 3.203 50 0 DGAARO Cc1ccsc1C[NH2+]CC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000065467462 184350979 /nfs/dbraw/zinc/35/09/79/184350979.db2.gz CBGMKGKLEHABNW-CQSZACIVSA-N 1 0 302.443 3.332 50 0 DGAARO O=C(Nc1cccc(-n2cccc2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000065490741 184353792 /nfs/dbraw/zinc/35/37/92/184353792.db2.gz ZQEGZKUZXAYZGR-UHFFFAOYSA-N 1 0 324.428 3.226 50 0 DGAARO C[C@H](Cn1ccnc1)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000065490963 184353921 /nfs/dbraw/zinc/35/39/21/184353921.db2.gz OTODNLJYTVHCAL-QGZVFWFLSA-N 1 0 304.482 3.050 50 0 DGAARO COc1cc(-c2nc(C(C)C)nn2-c2cc[nH+]cc2C)ccn1 ZINC000065397991 184335952 /nfs/dbraw/zinc/33/59/52/184335952.db2.gz IEEHYTIIMPRYCG-UHFFFAOYSA-N 1 0 309.373 3.165 50 0 DGAARO COc1ccc(-c2cc(C[NH2+]C3CCSCC3)on2)cc1 ZINC000065398333 184336626 /nfs/dbraw/zinc/33/66/26/184336626.db2.gz LBWBGVYKDTUFBV-UHFFFAOYSA-N 1 0 304.415 3.335 50 0 DGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cc2cccs2)C1 ZINC000065826776 184380493 /nfs/dbraw/zinc/38/04/93/184380493.db2.gz VYHWMLKFAZQURS-GOEBONIOSA-N 1 0 314.454 3.242 50 0 DGAARO Cc1ccc(CCC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cc1 ZINC000069517935 184522070 /nfs/dbraw/zinc/52/20/70/184522070.db2.gz KKRNCNMPIUJJMM-ROUUACIJSA-N 1 0 300.446 3.013 50 0 DGAARO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157127822 197164220 /nfs/dbraw/zinc/16/42/20/197164220.db2.gz FUGNQFUPHMWKLQ-UKRRQHHQSA-N 1 0 304.434 3.135 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157127670 197164239 /nfs/dbraw/zinc/16/42/39/197164239.db2.gz FUGNQFUPHMWKLQ-DZGCQCFKSA-N 1 0 304.434 3.135 50 0 DGAARO CC(C)Cc1noc(CN2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000155084535 197020911 /nfs/dbraw/zinc/02/09/11/197020911.db2.gz GIWKZFMQCJPAKN-MRXNPFEDSA-N 1 0 314.433 3.345 50 0 DGAARO COc1ccc([C@H]([NH2+]C[C@@H](O)c2cccnc2)C(C)C)cc1 ZINC000408513783 533195732 /nfs/dbraw/zinc/19/57/32/533195732.db2.gz DCYIMNLMJGYCDI-QZTJIDSGSA-N 1 0 300.402 3.111 50 0 DGAARO Clc1ccc([C@H]2OCC[C@H]2[NH2+]CCc2cccnc2)cc1 ZINC000192023430 256591823 /nfs/dbraw/zinc/59/18/23/256591823.db2.gz XOHGHXBYGAPZRX-IAGOWNOFSA-N 1 0 302.805 3.397 50 0 DGAARO O[C@@H](C[NH+]1CCC(Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000368392166 257236182 /nfs/dbraw/zinc/23/61/82/257236182.db2.gz HAJLCBJUFYXOOU-IBGZPJMESA-N 1 0 314.404 3.209 50 0 DGAARO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)c2c1 ZINC000237518401 257238841 /nfs/dbraw/zinc/23/88/41/257238841.db2.gz ZUYSMXNBROHSBM-ZFWWWQNUSA-N 1 0 323.440 3.372 50 0 DGAARO CCOc1ccc(C(C)=O)cc1C[NH2+]C(C)(C)C[C@H](C)CO ZINC000521396510 257239983 /nfs/dbraw/zinc/23/99/83/257239983.db2.gz NTDVFYMQEAUHTH-ZDUSSCGKSA-N 1 0 307.434 3.175 50 0 DGAARO C[NH+](C)[C@H](CCC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000521394350 257241474 /nfs/dbraw/zinc/24/14/74/257241474.db2.gz GRTPCGRBEIURRX-IAGOWNOFSA-N 1 0 318.461 3.143 50 0 DGAARO CC[N@@H+]1CCC[C@@H](c2nccn2Cc2cc(C(C)C)no2)C1 ZINC000071763076 257270516 /nfs/dbraw/zinc/27/05/16/257270516.db2.gz AMDJFCJPSZKQBH-CQSZACIVSA-N 1 0 302.422 3.242 50 0 DGAARO CCC(CC)[C@H](CNC(=O)Nc1ccccc1COC)[NH+](C)C ZINC000071920199 184905866 /nfs/dbraw/zinc/90/58/66/184905866.db2.gz JLXFMKCFSALMAA-KRWDZBQOSA-N 1 0 321.465 3.321 50 0 DGAARO CC1(C)[C@H]([NH2+]CCn2cnnc2C2CC2)C[C@H]1c1ccccc1 ZINC000123530677 195593081 /nfs/dbraw/zinc/59/30/81/195593081.db2.gz GLARDDHVCWTSKI-DLBZAZTESA-N 1 0 310.445 3.327 50 0 DGAARO CC[NH2+]CC[C@@H]1CCC(=O)N1CC1C2CC3CC(C2)CC1C3 ZINC000012329697 285600346 /nfs/dbraw/zinc/60/03/46/285600346.db2.gz GFMGSBRFSUQONV-NFSPANSCSA-N 1 0 304.478 3.049 50 0 DGAARO CC(=O)Nc1ccc(C)c(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000006216016 400091116 /nfs/dbraw/zinc/09/11/16/400091116.db2.gz HYYITHLPWOOUGY-OKILXGFUSA-N 1 0 317.433 3.155 50 0 DGAARO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C/c1ccccn1 ZINC000066726089 400112883 /nfs/dbraw/zinc/11/28/83/400112883.db2.gz OEZIGDKWHZMVTA-OUKQBFOZSA-N 1 0 323.440 3.205 50 0 DGAARO C[C@]1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCCO1 ZINC000584888294 400120283 /nfs/dbraw/zinc/12/02/83/400120283.db2.gz YDOFWKNKEIOBBH-GOSISDBHSA-N 1 0 322.493 3.251 50 0 DGAARO CC[N@@H+]1CCC[C@]2(CCCN(Cc3cnccc3Cl)C2)C1 ZINC000584891878 400121640 /nfs/dbraw/zinc/12/16/40/400121640.db2.gz CPVJQNSWXDNXJO-KRWDZBQOSA-N 1 0 307.869 3.433 50 0 DGAARO CCCc1cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)on1 ZINC000584890972 400122257 /nfs/dbraw/zinc/12/22/57/400122257.db2.gz WXSZKJKJCUWPRC-OAHLLOKOSA-N 1 0 303.381 3.135 50 0 DGAARO Cc1cccc([C@H](NC(=O)C[NH+]2CCCCCCC2)C2CC2)n1 ZINC000584901404 400122815 /nfs/dbraw/zinc/12/28/15/400122815.db2.gz ZQDKXWXJWWNLKD-LJQANCHMSA-N 1 0 315.461 3.223 50 0 DGAARO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000092354886 400168270 /nfs/dbraw/zinc/16/82/70/400168270.db2.gz ULTWBMROEDROAQ-HOCLYGCPSA-N 1 0 306.425 3.246 50 0 DGAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc(Br)c1 ZINC000022078143 400198727 /nfs/dbraw/zinc/19/87/27/400198727.db2.gz PRBCIHVYPSKWBP-DOMZBBRYSA-N 1 0 309.251 3.118 50 0 DGAARO CCOC(=O)C1CC[NH+]([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000023282888 400209307 /nfs/dbraw/zinc/20/93/07/400209307.db2.gz KJIHGQBQPHGVKL-OAHLLOKOSA-N 1 0 319.445 3.291 50 0 DGAARO C[C@H](C[NH+]1CCC(n2cncn2)CC1)c1cccc(Cl)c1 ZINC000097103863 400283061 /nfs/dbraw/zinc/28/30/61/400283061.db2.gz KNOCYDKTFAMGOB-CYBMUJFWSA-N 1 0 304.825 3.372 50 0 DGAARO CCc1ccc(NC(=O)C2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000072292854 400378643 /nfs/dbraw/zinc/37/86/43/400378643.db2.gz GBHJZJHVHVOEOO-UHFFFAOYSA-N 1 0 308.425 3.287 50 0 DGAARO CC(C)(C)[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000110616172 400358352 /nfs/dbraw/zinc/35/83/52/400358352.db2.gz AZULOVQUFNNFDQ-GOEBONIOSA-N 1 0 319.449 3.247 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000071882224 400372324 /nfs/dbraw/zinc/37/23/24/400372324.db2.gz LQTXGYFNSLUSRN-KBPBESRZSA-N 1 0 313.405 3.222 50 0 DGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000072269873 400377396 /nfs/dbraw/zinc/37/73/96/400377396.db2.gz WUIGYUREZGSYMW-CVEARBPZSA-N 1 0 309.417 3.117 50 0 DGAARO Cc1ccccc1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000072286491 400377699 /nfs/dbraw/zinc/37/76/99/400377699.db2.gz XMQMHSQUSCIWTA-DLBZAZTESA-N 1 0 302.462 3.335 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000113037347 400377861 /nfs/dbraw/zinc/37/78/61/400377861.db2.gz QMQGMWPJTZZKGJ-GVDBMIGSSA-N 1 0 316.445 3.422 50 0 DGAARO CC(C)(C)[S@](=O)CC[NH2+]Cc1ccccc1Br ZINC000072286941 400377912 /nfs/dbraw/zinc/37/79/12/400377912.db2.gz FPKQPYYTAJDYJY-KRWDZBQOSA-N 1 0 318.280 3.086 50 0 DGAARO COc1ccc(OCC[NH2+][C@@H](C)c2cccc(OC)c2)cc1 ZINC000075094256 400558371 /nfs/dbraw/zinc/55/83/71/400558371.db2.gz MHFKHTGYNFOAKR-AWEZNQCLSA-N 1 0 301.386 3.433 50 0 DGAARO CC(=O)Nc1cccc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c1 ZINC000076089607 400634083 /nfs/dbraw/zinc/63/40/83/400634083.db2.gz DPGSLLIZNZSMAJ-OAHLLOKOSA-N 1 0 312.413 3.028 50 0 DGAARO CCn1cc(C[NH2+][C@H]2CCCc3c2cnn3C(C)(C)C)cn1 ZINC000075610580 400597842 /nfs/dbraw/zinc/59/78/42/400597842.db2.gz ALRJYMNSDHPRNU-HNNXBMFYSA-N 1 0 301.438 3.022 50 0 DGAARO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000076409355 400653635 /nfs/dbraw/zinc/65/36/35/400653635.db2.gz OHFDSVZLRLOQON-CQSZACIVSA-N 1 0 308.397 3.045 50 0 DGAARO N#CC1(NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000148220768 400654018 /nfs/dbraw/zinc/65/40/18/400654018.db2.gz NXJNSYJIOHKLNY-UHFFFAOYSA-N 1 0 305.425 3.335 50 0 DGAARO CCC(CC)[C@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)CCO1 ZINC000157892394 400721564 /nfs/dbraw/zinc/72/15/64/400721564.db2.gz VAGDTCNDNJCNCF-IAGOWNOFSA-N 1 0 311.466 3.246 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000169678643 400759037 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Cc1cnc(C[N@@H+](C)C2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000078950168 400836212 /nfs/dbraw/zinc/83/62/12/400836212.db2.gz PEOGUUWYYFZLJL-UHFFFAOYSA-N 1 0 314.408 3.025 50 0 DGAARO O=C(NC1CC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000079107187 400846590 /nfs/dbraw/zinc/84/65/90/400846590.db2.gz QRRMWDISTKXAIR-UHFFFAOYSA-N 1 0 321.852 3.110 50 0 DGAARO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000056794416 400948018 /nfs/dbraw/zinc/94/80/18/400948018.db2.gz DGNHRUZTAMGVQT-ZDUSSCGKSA-N 1 0 315.417 3.196 50 0 DGAARO Cc1cc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)c(C)o1 ZINC000183808077 400902233 /nfs/dbraw/zinc/90/22/33/400902233.db2.gz ULELMASOQHJNJL-NWDGAFQWSA-N 1 0 306.431 3.486 50 0 DGAARO CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(C[NH3+])o1 ZINC000195543420 400924144 /nfs/dbraw/zinc/92/41/44/400924144.db2.gz QFCPPLOZVYNVRX-UHFFFAOYSA-N 1 0 300.402 3.427 50 0 DGAARO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000195575857 400926875 /nfs/dbraw/zinc/92/68/75/400926875.db2.gz OPLCZIWXRRZVEY-UHFFFAOYSA-N 1 0 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CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](CC)C1 ZINC000089284870 278565462 /nfs/dbraw/zinc/56/54/62/278565462.db2.gz OTSJTBKSSPNTIM-ZWKOTPCHSA-N 1 0 302.462 3.376 50 0 DGAARO CC[NH+](CC)CCNc1ncnc2sc3c(c21)CCCC3 ZINC000000084797 431122461 /nfs/dbraw/zinc/12/24/61/431122461.db2.gz ORBSBKFHNKECMT-UHFFFAOYSA-N 1 0 304.463 3.324 50 0 DGAARO CCOC(=O)C1=C(C)N=C(SC)N(C)[C@H]1c1ccccc1 ZINC000000083572 431122783 /nfs/dbraw/zinc/12/27/83/431122783.db2.gz KSKFCUCXECAMKZ-AWEZNQCLSA-N 1 0 304.415 3.229 50 0 DGAARO Clc1ccc2nc(CSc3nc4ccccn4n3)cn2c1 ZINC000000084651 431123060 /nfs/dbraw/zinc/12/30/60/431123060.db2.gz PYYQUQZFBGINIO-UHFFFAOYSA-N 1 0 315.789 3.323 50 0 DGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2ccnc(-c3ccccc3)n2)c1 ZINC000069535556 279034089 /nfs/dbraw/zinc/03/40/89/279034089.db2.gz DHLWACPMRGSXDX-CVEARBPZSA-N 1 0 321.428 3.388 50 0 DGAARO O[C@@H](C[N@@H+]1C[C@@H](O)C[C@H]1C1CCCCC1)c1ccc(Cl)cc1 ZINC000108159936 431128091 /nfs/dbraw/zinc/12/80/91/431128091.db2.gz 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COc1cc2c(cc1OC)C(CC[NH+]1CCCC1)=NC(C)(C)C2 ZINC000000490715 431194702 /nfs/dbraw/zinc/19/47/02/431194702.db2.gz OTQGZCLZVNVADJ-UHFFFAOYSA-N 1 0 316.445 3.314 50 0 biogenic DGAARO COc1ccc(/C=C/C(=O)O[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000000549243 431200305 /nfs/dbraw/zinc/20/03/05/431200305.db2.gz SILLFJYUSYEXKG-KUCQQTCKSA-N 1 0 303.402 3.126 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000000239775 431151933 /nfs/dbraw/zinc/15/19/33/431151933.db2.gz UPMSIIUPFDIZBD-HNNXBMFYSA-N 1 0 308.853 3.420 50 0 DGAARO OCCN(Cc1ccccc1)Cc1ccccc1Br ZINC000000759112 431208153 /nfs/dbraw/zinc/20/81/53/431208153.db2.gz GDNUXFJBQXTSIW-UHFFFAOYSA-N 1 0 320.230 3.444 50 0 DGAARO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069657058 431209976 /nfs/dbraw/zinc/20/99/76/431209976.db2.gz QQCVWKKXEXZSFV-AEFFLSMTSA-N 1 0 315.388 3.055 50 0 DGAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069740155 431215901 /nfs/dbraw/zinc/21/59/01/431215901.db2.gz LAFUEYYQZNMQFN-CQSZACIVSA-N 1 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Cc1cc(F)ccc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000071792533 431286831 /nfs/dbraw/zinc/28/68/31/431286831.db2.gz UJUBLBZGLZBTFN-UHFFFAOYSA-N 1 0 313.420 3.283 50 0 DGAARO COc1cccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCCO3)cs2)c1 ZINC000071793582 431288986 /nfs/dbraw/zinc/28/89/86/431288986.db2.gz CCSRKGZCJJFYRN-MLGOLLRUSA-N 1 0 318.442 3.476 50 0 DGAARO C[N@@H+]1CCC[C@@H](CSc2nnc(NCc3ccco3)s2)C1 ZINC000071804183 431289971 /nfs/dbraw/zinc/28/99/71/431289971.db2.gz NKIGGWINBOXSCZ-LLVKDONJSA-N 1 0 324.475 3.177 50 0 DGAARO C[NH+]1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000003401675 431294339 /nfs/dbraw/zinc/29/43/39/431294339.db2.gz KYZWFXSCKYQHNK-UHFFFAOYSA-N 1 0 310.426 3.110 50 0 DGAARO O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000071835190 431298678 /nfs/dbraw/zinc/29/86/78/431298678.db2.gz VNEOFUMXQMVJTB-ZWKOTPCHSA-N 1 0 324.424 3.118 50 0 DGAARO Cc1noc([C@H]2CCC[N@H+](CCOC3CCCCCC3)C2)n1 ZINC000071913994 431316976 /nfs/dbraw/zinc/31/69/76/431316976.db2.gz YRIZNEVUCZYBTM-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/36/17/88/431361788.db2.gz XZGBYXRHOLRXNX-UHFFFAOYSA-N 1 0 302.447 3.154 50 0 DGAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CC(C)(C)C)CC1 ZINC000007814346 431363549 /nfs/dbraw/zinc/36/35/49/431363549.db2.gz JOXQWMUQTPPERJ-UHFFFAOYSA-N 1 0 323.868 3.467 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)c2ccccc12 ZINC000008169808 431385343 /nfs/dbraw/zinc/38/53/43/431385343.db2.gz KOVWJOIGWQSTFB-OAHLLOKOSA-N 1 0 313.445 3.173 50 0 DGAARO CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCO1 ZINC000008324580 431393873 /nfs/dbraw/zinc/39/38/73/431393873.db2.gz MLFWPKPLDGLVEF-CYBMUJFWSA-N 1 0 314.223 3.116 50 0 DGAARO CC(C)(C)[NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000008394846 431397564 /nfs/dbraw/zinc/39/75/64/431397564.db2.gz YFGJDUAEZGEILV-UHFFFAOYSA-N 1 0 310.397 3.244 50 0 DGAARO CS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000074120328 431400513 /nfs/dbraw/zinc/40/05/13/431400513.db2.gz SOAXGBJOVPNHGL-JKSUJKDBSA-N 1 0 306.475 3.104 50 0 DGAARO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000009547024 431441284 /nfs/dbraw/zinc/44/12/84/431441284.db2.gz GSZNTINQNJDHPT-NSHDSACASA-N 1 0 316.323 3.398 50 0 DGAARO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000075094153 431452465 /nfs/dbraw/zinc/45/24/65/431452465.db2.gz FGXIJVCWNPGSEJ-GOEBONIOSA-N 1 0 319.449 3.422 50 0 DGAARO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000010051298 431453543 /nfs/dbraw/zinc/45/35/43/431453543.db2.gz QOFAIWULZCDCMA-JTQLQIEISA-N 1 0 302.296 3.008 50 0 DGAARO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000075126876 431455075 /nfs/dbraw/zinc/45/50/75/431455075.db2.gz CWYDTVNTUCWGQJ-AWEZNQCLSA-N 1 0 318.852 3.296 50 0 DGAARO C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000075143218 431458956 /nfs/dbraw/zinc/45/89/56/431458956.db2.gz GVHLKOWQSAITOY-KSSFIOAISA-N 1 0 315.461 3.059 50 0 DGAARO C[NH+](C)CCNc1c2ccccc2oc(=O)c1Cc1ccccc1 ZINC000010313717 431459515 /nfs/dbraw/zinc/45/95/15/431459515.db2.gz ICYCMOMIENJADB-UHFFFAOYSA-N 1 0 322.408 3.357 50 0 DGAARO 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Cc1ccc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025330866 431651365 /nfs/dbraw/zinc/65/13/65/431651365.db2.gz FSVXLPUHQFFQIA-INIZCTEOSA-N 1 0 302.443 3.018 50 0 DGAARO O=C(CC12CC3CC(CC(C3)C1)C2)NCC[NH+]1CCCCC1 ZINC000016603611 431611750 /nfs/dbraw/zinc/61/17/50/431611750.db2.gz DLAAPOSSJURQDB-UHFFFAOYSA-N 1 0 304.478 3.195 50 0 DGAARO Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000016622868 431612724 /nfs/dbraw/zinc/61/27/24/431612724.db2.gz MIDAJYHOGYGAPU-QGZVFWFLSA-N 1 0 315.461 3.059 50 0 DGAARO CC(=O)Nc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000078411702 431667665 /nfs/dbraw/zinc/66/76/65/431667665.db2.gz MZYSVVVQCWOTMR-UHFFFAOYSA-N 1 0 304.340 3.256 50 0 DGAARO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000026714747 431678787 /nfs/dbraw/zinc/67/87/87/431678787.db2.gz BTBDSUYHJYCNJB-GUYCJALGSA-N 1 0 301.386 3.088 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCC2)c2ccc(C)cc12 ZINC000028297057 431705017 /nfs/dbraw/zinc/70/50/17/431705017.db2.gz BTCPRWRCAYLSNL-QGZVFWFLSA-N 1 0 300.446 3.460 50 0 DGAARO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000025634689 431663898 /nfs/dbraw/zinc/66/38/98/431663898.db2.gz BTSUDRRVLQTIBR-CYBMUJFWSA-N 1 0 312.413 3.073 50 0 DGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000029838620 431729397 /nfs/dbraw/zinc/72/93/97/431729397.db2.gz CTZDKECWENTMFP-UHFFFAOYSA-N 1 0 312.388 3.004 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CC=CCC1 ZINC000029897839 431730674 /nfs/dbraw/zinc/73/06/74/431730674.db2.gz MTRQLZIKACHGSQ-CVEARBPZSA-N 1 0 302.418 3.279 50 0 DGAARO O=C(c1ccoc1)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000030668660 431744636 /nfs/dbraw/zinc/74/46/36/431744636.db2.gz NZNCYNWYZBQMDT-UHFFFAOYSA-N 1 0 318.804 3.327 50 0 DGAARO C[C@H](NC(=O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000031655314 431760816 /nfs/dbraw/zinc/76/08/16/431760816.db2.gz YRBQRLCYCRURBP-VIFPVBQESA-N 1 0 301.217 3.265 50 0 DGAARO COc1ccc(OC)c(NC(=O)C[N@H+](CC(C)C)C(C)C)c1 ZINC000031581844 431762376 /nfs/dbraw/zinc/76/23/76/431762376.db2.gz LVNFUIPHYMXLPF-UHFFFAOYSA-N 1 0 308.422 3.009 50 0 DGAARO O=C(c1ccccc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000032770151 431789656 /nfs/dbraw/zinc/78/96/56/431789656.db2.gz OHVRFOQGVLXRKO-UHFFFAOYSA-N 1 0 300.446 3.415 50 0 DGAARO COc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911529 431799798 /nfs/dbraw/zinc/79/97/98/431799798.db2.gz HAAGPTNTHKKSMO-QGZVFWFLSA-N 1 0 324.424 3.090 50 0 DGAARO CC[NH+]1CCN(Cc2cncc(-c3cc(F)ccc3F)c2)CC1 ZINC000034669417 431818492 /nfs/dbraw/zinc/81/84/92/431818492.db2.gz RTPLMQAGXKDYBL-UHFFFAOYSA-N 1 0 317.383 3.164 50 0 DGAARO Cc1ccc(-[n+]2c3ccccc3c(=O)n3c2CCCCC3)cc1 ZINC000003207974 280713839 /nfs/dbraw/zinc/71/38/39/280713839.db2.gz ZHDFQRRYZQWUSS-UHFFFAOYSA-N 1 0 305.401 3.313 50 0 DGAARO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC000084131445 431815880 /nfs/dbraw/zinc/81/58/80/431815880.db2.gz WSHZNNWUQJXSNU-KRWDZBQOSA-N 1 0 309.417 3.090 50 0 DGAARO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccncc1 ZINC000037301139 431845708 /nfs/dbraw/zinc/84/57/08/431845708.db2.gz VCQYKEINVLRNKU-NSHDSACASA-N 1 0 304.777 3.357 50 0 DGAARO CN(Cc1cccs1)C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049899 431856199 /nfs/dbraw/zinc/85/61/99/431856199.db2.gz BDWGVDOSMAKCMU-QGZVFWFLSA-N 1 0 314.454 3.326 50 0 DGAARO FC(F)(F)c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000044411788 431873552 /nfs/dbraw/zinc/87/35/52/431873552.db2.gz CQOQRRUXNYERPR-SECBINFHSA-N 1 0 305.731 3.402 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@@H](CC)c2nc(C)cs2)CC1 ZINC000089152195 431860737 /nfs/dbraw/zinc/86/07/37/431860737.db2.gz VXBRAMRLCGSNRL-ZDUSSCGKSA-N 1 0 311.451 3.113 50 0 DGAARO Cc1cc(N2CCC(C(=O)N3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000041873325 431861177 /nfs/dbraw/zinc/86/11/77/431861177.db2.gz JFGAGLZCERTDPT-UHFFFAOYSA-N 1 0 323.440 3.382 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@H](CC)C1 ZINC000089284874 431862859 /nfs/dbraw/zinc/86/28/59/431862859.db2.gz OTSJTBKSSPNTIM-MSOLQXFVSA-N 1 0 302.462 3.376 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@H](CC)C1 ZINC000089284873 431862935 /nfs/dbraw/zinc/86/29/35/431862935.db2.gz OTSJTBKSSPNTIM-QZTJIDSGSA-N 1 0 302.462 3.376 50 0 DGAARO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccs1 ZINC000089594977 431871179 /nfs/dbraw/zinc/87/11/79/431871179.db2.gz MHGYTMOEKBBKEB-HNNXBMFYSA-N 1 0 308.491 3.434 50 0 DGAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](F)C1 ZINC000034423405 431818845 /nfs/dbraw/zinc/81/88/45/431818845.db2.gz JXBLMDWEOQDVAC-LSDHHAIUSA-N 1 0 308.397 3.124 50 0 DGAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCCN1CCOCC1 ZINC000084647622 431831524 /nfs/dbraw/zinc/83/15/24/431831524.db2.gz KYFBDHZKAVJFRX-HNNXBMFYSA-N 1 0 302.418 3.148 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036102245 431834950 /nfs/dbraw/zinc/83/49/50/431834950.db2.gz DQPVVGWFLYSCAG-WBVHZDCISA-N 1 0 309.450 3.082 50 0 DGAARO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036095491 431834998 /nfs/dbraw/zinc/83/49/98/431834998.db2.gz FZUQEBPPSUDZSM-GOSISDBHSA-N 1 0 317.404 3.478 50 0 DGAARO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)C(C)C)c1OC ZINC000036097057 431835929 /nfs/dbraw/zinc/83/59/29/431835929.db2.gz PTIYRFPKEBBIEX-MRXNPFEDSA-N 1 0 309.450 3.179 50 0 DGAARO Cc1ccccc1C[N@@H+]1CCCN(Cc2ncccc2C)CC1 ZINC000095459073 431926054 /nfs/dbraw/zinc/92/60/54/431926054.db2.gz BCTQFXIBDDFMQV-UHFFFAOYSA-N 1 0 309.457 3.406 50 0 DGAARO Cc1ccccc1CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047416449 431910286 /nfs/dbraw/zinc/91/02/86/431910286.db2.gz OWXWYTWJOMLZDQ-HZPDHXFCSA-N 1 0 302.462 3.022 50 0 DGAARO CCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000047675962 431914207 /nfs/dbraw/zinc/91/42/07/431914207.db2.gz KVCVMJDYRURWQR-HNNXBMFYSA-N 1 0 303.450 3.128 50 0 DGAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1Cc2ccccc2C1 ZINC000095504370 431926498 /nfs/dbraw/zinc/92/64/98/431926498.db2.gz YAICVYWIZCXBGA-KRWDZBQOSA-N 1 0 310.397 3.034 50 0 DGAARO CCOC(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1F)CC(C)C ZINC000048274106 431921873 /nfs/dbraw/zinc/92/18/73/431921873.db2.gz BVTJDNONORYRNN-AWEZNQCLSA-N 1 0 314.376 3.215 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(F)cccc2F)C1 ZINC000048270440 431922396 /nfs/dbraw/zinc/92/23/96/431922396.db2.gz RXFCIXIOFMVBRA-STQMWFEESA-N 1 0 310.388 3.063 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccccc2Cl)C1 ZINC000048310077 431922711 /nfs/dbraw/zinc/92/27/11/431922711.db2.gz XHNZOXFEHDBGBT-GJZGRUSLSA-N 1 0 322.880 3.367 50 0 DGAARO O=C(C[NH+]1CCCCCC1)Nc1ccnn1CC1CCCCC1 ZINC000095352977 431923388 /nfs/dbraw/zinc/92/33/88/431923388.db2.gz NKIHDPVSZWENJM-UHFFFAOYSA-N 1 0 318.465 3.278 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)OCC(F)(F)F ZINC000048344114 431923616 /nfs/dbraw/zinc/92/36/16/431923616.db2.gz YOTPMRIZWUFSKY-LLVKDONJSA-N 1 0 320.311 3.095 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1nccs1 ZINC000048332651 431923702 /nfs/dbraw/zinc/92/37/02/431923702.db2.gz ZWBYDZIUFPJJSW-UHFFFAOYSA-N 1 0 316.430 3.061 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCc2ccccc2)C1 ZINC000048331997 431923810 /nfs/dbraw/zinc/92/38/10/431923810.db2.gz SRFMPTKGTMNNCM-QZTJIDSGSA-N 1 0 316.489 3.494 50 0 DGAARO Cc1ccc(CCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000095382747 431924420 /nfs/dbraw/zinc/92/44/20/431924420.db2.gz IGWDBTKGVDQUCB-SFHVURJKSA-N 1 0 302.462 3.308 50 0 DGAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000048353971 431924831 /nfs/dbraw/zinc/92/48/31/431924831.db2.gz VMZHTWSAQSNGLX-RBUKOAKNSA-N 1 0 314.473 3.485 50 0 DGAARO CSCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048354076 431925044 /nfs/dbraw/zinc/92/50/44/431925044.db2.gz QAHKGXQSLYUUPK-GASCZTMLSA-N 1 0 320.502 3.144 50 0 DGAARO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000089662593 431874433 /nfs/dbraw/zinc/87/44/33/431874433.db2.gz MBCLZKVYUYOARF-JKSUJKDBSA-N 1 0 324.465 3.006 50 0 DGAARO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000089662594 431874858 /nfs/dbraw/zinc/87/48/58/431874858.db2.gz MBCLZKVYUYOARF-HZPDHXFCSA-N 1 0 324.465 3.006 50 0 DGAARO Cc1cnc([C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)s1 ZINC000089702368 431875126 /nfs/dbraw/zinc/87/51/26/431875126.db2.gz IKSKXXFNHVIDTF-DZGCQCFKSA-N 1 0 321.490 3.283 50 0 DGAARO Clc1cccc(OCC[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000089774666 431878598 /nfs/dbraw/zinc/87/85/98/431878598.db2.gz FQSIZEMHSDUUJK-UHFFFAOYSA-N 1 0 305.809 3.252 50 0 DGAARO Clc1cccc2c1CC[C@@H]2[NH+]1CCC(n2cncn2)CC1 ZINC000089800156 431879538 /nfs/dbraw/zinc/87/95/38/431879538.db2.gz SKGNCCQATYJOAY-INIZCTEOSA-N 1 0 302.809 3.256 50 0 DGAARO COc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000044975826 431880191 /nfs/dbraw/zinc/88/01/91/431880191.db2.gz VYADMCLLLDQWTI-CQSZACIVSA-N 1 0 302.374 3.208 50 0 DGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)ccc1C)C2 ZINC000095391322 431925423 /nfs/dbraw/zinc/92/54/23/431925423.db2.gz DNDOOCXYUXBYFA-GDBMZVCRSA-N 1 0 304.409 3.081 50 0 DGAARO COc1cccc([C@@H]2CCN2C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000095388538 431925592 /nfs/dbraw/zinc/92/55/92/431925592.db2.gz ZHPILZVRTQZOOR-SFHVURJKSA-N 1 0 316.445 3.089 50 0 DGAARO CC(=O)N1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@@H](C)C1 ZINC000089937670 431886729 /nfs/dbraw/zinc/88/67/29/431886729.db2.gz VHVFHTLSFCAHDU-BLLLJJGKSA-N 1 0 302.443 3.248 50 0 DGAARO Cc1ccccc1-n1nnnc1C1([NH+]2CCCCC2)CCCC1 ZINC000046078028 431894008 /nfs/dbraw/zinc/89/40/08/431894008.db2.gz PTIDAIJTSBCJSW-UHFFFAOYSA-N 1 0 311.433 3.226 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccs1 ZINC000090914230 431897431 /nfs/dbraw/zinc/89/74/31/431897431.db2.gz VEZQMPVFBXSPJK-XIRDDKMYSA-N 1 0 316.470 3.034 50 0 DGAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc3ccccc3o2)C1 ZINC000046959558 431903804 /nfs/dbraw/zinc/90/38/04/431903804.db2.gz AGEGWXXFAIZFOW-AWEZNQCLSA-N 1 0 300.402 3.285 50 0 DGAARO COc1cc(F)c(C[N@H+](C)CCC2CCOCC2)cc1OC ZINC000097515209 431970795 /nfs/dbraw/zinc/97/07/95/431970795.db2.gz UPVYJJYWOVPZNZ-UHFFFAOYSA-N 1 0 311.397 3.091 50 0 DGAARO COc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c(OC)c1 ZINC000097495150 431971163 /nfs/dbraw/zinc/97/11/63/431971163.db2.gz MPYXVFRPUKCANI-UHFFFAOYSA-N 1 0 305.418 3.096 50 0 DGAARO CC(=O)N1[C@@H]([NH2+]Cc2ccccc2)C[C@@H](C)N1c1ccccc1 ZINC000054959637 431974588 /nfs/dbraw/zinc/97/45/88/431974588.db2.gz ZPGPYJUPNLTGAX-DNVCBOLYSA-N 1 0 309.413 3.165 50 0 DGAARO Cc1cncnc1C1CC[NH+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC000097819443 431975225 /nfs/dbraw/zinc/97/52/25/431975225.db2.gz PHEONKHJFPSJOZ-HNNXBMFYSA-N 1 0 303.450 3.170 50 0 DGAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C/C=C\c2ccccc2)cn1 ZINC000098052810 431976933 /nfs/dbraw/zinc/97/69/33/431976933.db2.gz MWFJJWZDIPFAMI-XHXYSVNWSA-N 1 0 311.429 3.284 50 0 DGAARO Cc1cccc(-c2ncc(C[NH2+]CCC[C@@H]3CCOC3)cn2)c1 ZINC000055195625 431978733 /nfs/dbraw/zinc/97/87/33/431978733.db2.gz SMAMFWNLPRAQTR-MRXNPFEDSA-N 1 0 311.429 3.358 50 0 DGAARO CC[C@H](C)[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)C1CCCC1 ZINC000055280974 431979534 /nfs/dbraw/zinc/97/95/34/431979534.db2.gz SQKGPXJAWDMCFX-AWEZNQCLSA-N 1 0 324.490 3.138 50 0 DGAARO O=C(C[NH2+]Cc1cccnc1)Nc1cc(Cl)cc(Cl)c1 ZINC000055301073 431979575 /nfs/dbraw/zinc/97/95/75/431979575.db2.gz QTYKGCXAUPWCAG-UHFFFAOYSA-N 1 0 310.184 3.117 50 0 DGAARO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000048501553 431927737 /nfs/dbraw/zinc/92/77/37/431927737.db2.gz KKUVDYLGBGXKKS-QGZVFWFLSA-N 1 0 303.427 3.428 50 0 DGAARO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCc2ccccc2C1 ZINC000095951127 431928077 /nfs/dbraw/zinc/92/80/77/431928077.db2.gz ZHSQEGBMBPKJBB-INIZCTEOSA-N 1 0 300.446 3.082 50 0 DGAARO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cncc(F)c1 ZINC000095967847 431928707 /nfs/dbraw/zinc/92/87/07/431928707.db2.gz VUYCHCVDPUQMKS-SCLBCKFNSA-N 1 0 300.377 3.095 50 0 DGAARO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000095968810 431929729 /nfs/dbraw/zinc/92/97/29/431929729.db2.gz WXRKGLUVLDENIU-CABCVRRESA-N 1 0 311.429 3.266 50 0 DGAARO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000095968491 431930111 /nfs/dbraw/zinc/93/01/11/431930111.db2.gz HHTLSUVGQNATNS-JSGCOSHPSA-N 1 0 302.349 3.453 50 0 DGAARO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000095975168 431930490 /nfs/dbraw/zinc/93/04/90/431930490.db2.gz POQKKXHVMWEZGH-JQWIXIFHSA-N 1 0 321.314 3.128 50 0 DGAARO C[C@@H]([NH2+]CC(=O)Nc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000095984255 431931496 /nfs/dbraw/zinc/93/14/96/431931496.db2.gz WPLREXVSJQWSEP-LLVKDONJSA-N 1 0 323.318 3.390 50 0 DGAARO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)CS(C)(=O)=O ZINC000095984204 431932103 /nfs/dbraw/zinc/93/21/03/431932103.db2.gz XKPCZXJYSWHSJH-UWVGGRQHSA-N 1 0 324.273 3.325 50 0 DGAARO CCS[C@@H]1CC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000095990244 431932979 /nfs/dbraw/zinc/93/29/79/431932979.db2.gz AGGIHLVDXLJDQP-ZIAGYGMSSA-N 1 0 311.520 3.376 50 0 DGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C)CC2(Cl)Cl)C1 ZINC000048920266 431933880 /nfs/dbraw/zinc/93/38/80/431933880.db2.gz FRYBGUVTZHPSRZ-FZMZJTMJSA-N 1 0 321.292 3.197 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000049076578 431936062 /nfs/dbraw/zinc/93/60/62/431936062.db2.gz BBTHNZBDZDHKRW-UHFFFAOYSA-N 1 0 306.425 3.328 50 0 DGAARO COc1c(C)cc(NC(=O)NCCCC[NH+]2CCCC2)cc1C ZINC000096133020 431939806 /nfs/dbraw/zinc/93/98/06/431939806.db2.gz OGLKVZJPRZUZJU-UHFFFAOYSA-N 1 0 319.449 3.310 50 0 DGAARO C/C(=C\C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000096187996 431941904 /nfs/dbraw/zinc/94/19/04/431941904.db2.gz OBUJGFQPYIFXEP-SDNWHVSQSA-N 1 0 318.486 3.433 50 0 DGAARO O=C(/C=C\c1ccc(F)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000096291421 431943869 /nfs/dbraw/zinc/94/38/69/431943869.db2.gz ZRZJMOBALJATAT-YFHOEESVSA-N 1 0 324.399 3.013 50 0 DGAARO CN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCCCC1 ZINC000096402615 431945723 /nfs/dbraw/zinc/94/57/23/431945723.db2.gz CCUANVDPZSDPTH-HNNXBMFYSA-N 1 0 307.482 3.225 50 0 DGAARO CC(=O)Oc1c(C)cc(C[NH2+][C@H](C)Cc2ccncc2)cc1C ZINC000055328034 431980214 /nfs/dbraw/zinc/98/02/14/431980214.db2.gz BYLUXRZVMLTBST-OAHLLOKOSA-N 1 0 312.413 3.345 50 0 DGAARO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000096456811 431951380 /nfs/dbraw/zinc/95/13/80/431951380.db2.gz MTAGOELAQZZPDT-KZULUSFZSA-N 1 0 312.388 3.338 50 0 DGAARO NC(=O)c1ccc(C[N@H+](CCC(F)(F)F)C2CCC2)cc1 ZINC000096460866 431951739 /nfs/dbraw/zinc/95/17/39/431951739.db2.gz RDVURSXRRINVOM-UHFFFAOYSA-N 1 0 300.324 3.092 50 0 DGAARO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000096477813 431952659 /nfs/dbraw/zinc/95/26/59/431952659.db2.gz QLFNCIFQMVJQLW-KKSFZXQISA-N 1 0 321.468 3.049 50 0 DGAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000096476533 431952684 /nfs/dbraw/zinc/95/26/84/431952684.db2.gz NXUZUQOZHLISES-DYVFJYSZSA-N 1 0 311.385 3.158 50 0 DGAARO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000096479257 431952908 /nfs/dbraw/zinc/95/29/08/431952908.db2.gz YCZZTXWXIUSYNV-JSGCOSHPSA-N 1 0 305.422 3.082 50 0 DGAARO COc1ccccc1[C@H]([NH2+]C1CCN(C(C)=O)CC1)C(C)(C)C ZINC000096493811 431954051 /nfs/dbraw/zinc/95/40/51/431954051.db2.gz 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/nfs/dbraw/zinc/95/92/60/431959260.db2.gz UZCDDYBQGMYAFX-NSHDSACASA-N 1 0 307.309 3.394 50 0 DGAARO Cc1c2cccc(C)c2oc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000053058711 431960543 /nfs/dbraw/zinc/96/05/43/431960543.db2.gz UNPVHWWRCWFUHQ-UHFFFAOYSA-N 1 0 300.402 3.216 50 0 DGAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000097098604 431960788 /nfs/dbraw/zinc/96/07/88/431960788.db2.gz XZLQSDKYVUYQRP-CRAIPNDOSA-N 1 0 321.486 3.313 50 0 DGAARO Clc1ccc2cccnc2c1CN1CC[NH+](CC2CC2)CC1 ZINC000053238104 431962303 /nfs/dbraw/zinc/96/23/03/431962303.db2.gz QHMDXDJIPFSHAD-UHFFFAOYSA-N 1 0 315.848 3.416 50 0 DGAARO CC(=O)NC[C@@H]1CCC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000097162416 431963388 /nfs/dbraw/zinc/96/33/88/431963388.db2.gz HODDUTKOMOXADY-SFHVURJKSA-N 1 0 302.462 3.201 50 0 DGAARO Cc1ccc(NC[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)nc1 ZINC000097200766 431964031 /nfs/dbraw/zinc/96/40/31/431964031.db2.gz LKQQXMMEQVCHDG-OAHLLOKOSA-N 1 0 322.412 3.465 50 0 DGAARO 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Cc1ncsc1CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC000067983299 685057172 /nfs/dbraw/zinc/05/71/72/685057172.db2.gz SOMZGFRKIRKIQN-UHFFFAOYSA-N 1 0 301.459 3.206 50 0 DGAARO Cc1ncsc1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071405656 685058427 /nfs/dbraw/zinc/05/84/27/685058427.db2.gz GUZUWPVVKOCZGE-OAHLLOKOSA-N 1 0 321.490 3.034 50 0 DGAARO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000083812899 685062526 /nfs/dbraw/zinc/06/25/26/685062526.db2.gz ITHKCIFGPXWUIH-BYXKJISOSA-N 1 0 311.429 3.191 50 0 DGAARO OC[C@@]12C[N@H+](Cc3ccccc3-c3ccccc3)C[C@@H]1COCC2 ZINC001772709297 1176676979 /nfs/dbraw/zinc/67/69/79/1176676979.db2.gz NPCKSXUSBANSAD-TZIWHRDSSA-N 1 0 323.436 3.184 50 0 DGAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCCc2nc(C)c(C)s2)n1 ZINC001506396573 1186220878 /nfs/dbraw/zinc/22/08/78/1186220878.db2.gz CLQHSEUTJCBPFU-LBPRGKRZSA-N 1 0 306.479 3.184 50 0 DGAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC001506403160 1186221498 /nfs/dbraw/zinc/22/14/98/1186221498.db2.gz WNUIWGKGHNDZQZ-HOTGVXAUSA-N 1 0 321.371 3.033 50 0 DGAARO O=C(C1CCC1)N1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC001506402509 1186222382 /nfs/dbraw/zinc/22/23/82/1186222382.db2.gz NXJLUQGKRFZJKU-UHFFFAOYSA-N 1 0 322.493 3.107 50 0 DGAARO c1ccc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)OCCCO4)C2)cc1 ZINC001506409447 1186223808 /nfs/dbraw/zinc/22/38/08/1186223808.db2.gz ZTMCOEFDOKANPT-QGZVFWFLSA-N 1 0 324.424 3.216 50 0 DGAARO C(Cc1nc2c(s1)CCCC2)[NH2+]C1CSCCSC1 ZINC001506426497 1186226716 /nfs/dbraw/zinc/22/67/16/1186226716.db2.gz OZKAMKMEJDBKHB-UHFFFAOYSA-N 1 0 314.545 3.003 50 0 DGAARO CC(C)OCC(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC001506426791 1186226966 /nfs/dbraw/zinc/22/69/66/1186226966.db2.gz JCBRCYNVOQQSAN-UHFFFAOYSA-N 1 0 310.482 3.059 50 0 DGAARO C[N@@H+]1CC[C@@]2(C1)CCCN(c1ccnc3c(F)cc(F)cc13)C2 ZINC001506428928 1186228121 /nfs/dbraw/zinc/22/81/21/1186228121.db2.gz RSRTUDATVWZREE-GOSISDBHSA-N 1 0 317.383 3.435 50 0 DGAARO Cc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001529154173 1187537538 /nfs/dbraw/zinc/53/75/38/1187537538.db2.gz IBAVLPYVCCUCPU-USTZCAOPSA-N 1 0 300.446 3.186 50 0 DGAARO Cc1nc(CN2CCC[C@H](C(=O)c3ccccn3)C2)sc1C ZINC001529167934 1187538127 /nfs/dbraw/zinc/53/81/27/1187538127.db2.gz RTXLFGVRRQXIDB-AWEZNQCLSA-N 1 0 315.442 3.250 50 0 DGAARO CCc1cnc(C)nc1N1CCC[N@@H+](C2CCCCC2)CC1 ZINC001529196426 1187540780 /nfs/dbraw/zinc/54/07/80/1187540780.db2.gz ZSKXQBAPKPFNBP-UHFFFAOYSA-N 1 0 302.466 3.192 50 0 DGAARO C[C@@]1(O)CCOC2(CC[NH+](CCCCc3ccccc3)CC2)C1 ZINC001704309301 1202520021 /nfs/dbraw/zinc/52/00/21/1202520021.db2.gz QIJRWIYBMDFTHN-LJQANCHMSA-N 1 0 317.473 3.405 50 0 DGAARO Cc1cc(N[C@@H]2CCCNC2=O)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC001704328030 1202521180 /nfs/dbraw/zinc/52/11/80/1202521180.db2.gz WGARVLCLCIPJGD-GFCCVEGCSA-N 1 0 323.318 3.253 50 0 DGAARO C[C@@]1(O)CCOC2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001704335798 1202521605 /nfs/dbraw/zinc/52/16/05/1202521605.db2.gz GTUUOHDSMZHKEK-MRXNPFEDSA-N 1 0 309.837 3.236 50 0 DGAARO O[C@@H]1CCC[C@]12CCC[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC001704335316 1202521841 /nfs/dbraw/zinc/52/18/41/1202521841.db2.gz DCCYBQZBXIEVNB-NVXWUHKLSA-N 1 0 311.372 3.415 50 0 DGAARO COc1c[nH]c(C[N@H+](C)Cc2cc3ccccc3s2)cc1=O ZINC001704356721 1202522952 /nfs/dbraw/zinc/52/29/52/1202522952.db2.gz ITODXFNCOFDVBQ-UHFFFAOYSA-N 1 0 314.410 3.230 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000581807742 1083034997 /nfs/dbraw/zinc/03/49/97/1083034997.db2.gz RJYOYCUMMFRQGE-HNNXBMFYSA-N 1 0 315.461 3.498 50 0 DGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H]1CC1(C)C ZINC000827693815 1091776659 /nfs/dbraw/zinc/77/66/59/1091776659.db2.gz RLOWABWCXZGYOO-QGZVFWFLSA-N 1 0 300.446 3.287 50 0 DGAARO C[C@H](NC(=O)NCC[C@@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000828038033 1091802215 /nfs/dbraw/zinc/80/22/15/1091802215.db2.gz JWFFCAAATMUZCH-HOCLYGCPSA-N 1 0 311.429 3.342 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)c1ccc2ccccc2n1 ZINC000575553627 1092049320 /nfs/dbraw/zinc/04/93/20/1092049320.db2.gz BOXWJQPWEZLPJQ-UHFFFAOYSA-N 1 0 320.396 3.047 50 0 DGAARO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCC3)CC2)cc1 ZINC000581788057 1092271872 /nfs/dbraw/zinc/27/18/72/1092271872.db2.gz RBDBRNVACKFGHS-INIZCTEOSA-N 1 0 316.445 3.033 50 0 DGAARO O[C@@H]1CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000585079834 1094969817 /nfs/dbraw/zinc/96/98/17/1094969817.db2.gz XIPGZKUSPDEMGC-BRWVUGGUSA-N 1 0 317.454 3.263 50 0 DGAARO O[C@@H]1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000585079836 1094969837 /nfs/dbraw/zinc/96/98/37/1094969837.db2.gz XIPGZKUSPDEMGC-IXDOHACOSA-N 1 0 317.454 3.263 50 0 DGAARO CC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC000585083154 1094973080 /nfs/dbraw/zinc/97/30/80/1094973080.db2.gz VPNIWTPKLNWUEJ-QGZVFWFLSA-N 1 0 302.462 3.215 50 0 DGAARO CCc1ccc2occ(C(=O)NC[C@H]3C[NH+]4CCC3CC4)c2c1 ZINC000585087980 1094990654 /nfs/dbraw/zinc/99/06/54/1094990654.db2.gz FJDWRHDKQYYULE-HNNXBMFYSA-N 1 0 312.413 3.067 50 0 DGAARO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCC=C(F)C3)c2)C1 ZINC000585089526 1094992658 /nfs/dbraw/zinc/99/26/58/1094992658.db2.gz UQGOXXNYYAWFTI-MRXNPFEDSA-N 1 0 302.393 3.195 50 0 DGAARO O=C(CCc1cccnc1)Nc1ccccc1C[NH+]1CCCC1 ZINC000041971110 1095703975 /nfs/dbraw/zinc/70/39/75/1095703975.db2.gz QVMIXVSQMGNYJM-UHFFFAOYSA-N 1 0 309.413 3.249 50 0 DGAARO Cc1ccc(C(C)(C)CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000952845881 1096779894 /nfs/dbraw/zinc/77/98/94/1096779894.db2.gz GCKFUXGCPOSUCK-FQEVSTJZSA-N 1 0 314.473 3.265 50 0 DGAARO Cc1cccc(N2CCC([NH2+]Cc3cccc4nonc43)CC2)c1 ZINC000952872135 1096783252 /nfs/dbraw/zinc/78/32/52/1096783252.db2.gz KQCRNSKUGMHIFO-UHFFFAOYSA-N 1 0 322.412 3.290 50 0 DGAARO Cn1cc(C2CC[NH+](CC3([C@H]4CCCCO4)CCC3)CC2)cn1 ZINC000952880918 1096785475 /nfs/dbraw/zinc/78/54/75/1096785475.db2.gz MSTJRUWMWSIRMH-GOSISDBHSA-N 1 0 317.477 3.339 50 0 DGAARO CCCN(Cc1c(C)nn(CCO)c1C)Cc1ccccc1F ZINC000952867247 1096787602 /nfs/dbraw/zinc/78/76/02/1096787602.db2.gz KKJFFRILOXXMQP-UHFFFAOYSA-N 1 0 319.424 3.044 50 0 DGAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cc[nH+]1 ZINC000077440591 1105559349 /nfs/dbraw/zinc/55/93/49/1105559349.db2.gz QWGCYRRCYNMVNF-LJQANCHMSA-N 1 0 313.445 3.009 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ccn(C(C)C)c2c1 ZINC000095476253 185373188 /nfs/dbraw/zinc/37/31/88/185373188.db2.gz ORHVKQRHKCNMIH-KRWDZBQOSA-N 1 0 313.445 3.436 50 0 DGAARO C[NH+](C)CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000095476042 185373358 /nfs/dbraw/zinc/37/33/58/185373358.db2.gz DOLAUFNHJMLOBS-UHFFFAOYSA-N 1 0 313.445 3.118 50 0 DGAARO O=C(NCC1=CCCCC1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095511786 185376290 /nfs/dbraw/zinc/37/62/90/185376290.db2.gz GWZOQSKSXJGCBH-INIZCTEOSA-N 1 0 302.418 3.108 50 0 DGAARO FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]n1 ZINC000078900828 185126263 /nfs/dbraw/zinc/12/62/63/185126263.db2.gz SVDDZCAZNLJZSA-LBPRGKRZSA-N 1 0 310.323 3.203 50 0 DGAARO CCCCOc1ccc(NC2=NC3(CCCC3)NC(=[NH2+])N2)cc1 ZINC000087711567 185231022 /nfs/dbraw/zinc/23/10/22/185231022.db2.gz MCYRPUWJNNPZAT-UHFFFAOYSA-N 1 0 315.421 3.031 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000063193306 432005303 /nfs/dbraw/zinc/00/53/03/432005303.db2.gz NCTFUGXKQYIQQV-GXFFZTMASA-N 1 0 300.324 3.047 50 0 DGAARO Cc1nc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)sc1C ZINC000088737925 185263532 /nfs/dbraw/zinc/26/35/32/185263532.db2.gz DOGNXIOYFHQGSZ-MRXNPFEDSA-N 1 0 301.459 3.124 50 0 DGAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000089949028 185271101 /nfs/dbraw/zinc/27/11/01/185271101.db2.gz MMJMPRCCRMWXRT-BLLLJJGKSA-N 1 0 322.399 3.092 50 0 DGAARO CSc1ccc(CC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000082096954 192355215 /nfs/dbraw/zinc/35/52/15/192355215.db2.gz PZOZGLRXTZQEHT-AWEZNQCLSA-N 1 0 318.486 3.036 50 0 DGAARO CC(C)(C)c1ncc(C[NH+]2CCC(n3cccn3)CC2)s1 ZINC000092618138 185329268 /nfs/dbraw/zinc/32/92/68/185329268.db2.gz YGKMXBMCWYDUHN-UHFFFAOYSA-N 1 0 304.463 3.474 50 0 DGAARO Cc1cc(C(=O)N2CC([NH+]3CCCCC3)C2)c2cccc(C)c2n1 ZINC000082121266 192359681 /nfs/dbraw/zinc/35/96/81/192359681.db2.gz RMIXWBKMKIGPGH-UHFFFAOYSA-N 1 0 323.440 3.162 50 0 DGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H](C)C[NH+](C)C)c1C ZINC000082137657 192360715 /nfs/dbraw/zinc/36/07/15/192360715.db2.gz BGLIZUGJYCHALD-ZDUSSCGKSA-N 1 0 315.461 3.161 50 0 DGAARO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)no1 ZINC000092814330 185343467 /nfs/dbraw/zinc/34/34/67/185343467.db2.gz JNNMTONKCBQBSA-CQSZACIVSA-N 1 0 310.401 3.314 50 0 DGAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(F)c(F)c1F ZINC000095407701 185356556 /nfs/dbraw/zinc/35/65/56/185356556.db2.gz NOJDHIGXFPCRQR-UHFFFAOYSA-N 1 0 308.303 3.466 50 0 DGAARO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415557 185358623 /nfs/dbraw/zinc/35/86/23/185358623.db2.gz WIBXKNPTIGWJMP-HOTGVXAUSA-N 1 0 300.427 3.159 50 0 DGAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415558 185358691 /nfs/dbraw/zinc/35/86/91/185358691.db2.gz WIBXKNPTIGWJMP-CVEARBPZSA-N 1 0 300.427 3.159 50 0 DGAARO C[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1cncc(F)c1 ZINC000095419897 185360218 /nfs/dbraw/zinc/36/02/18/185360218.db2.gz MJDNRKLIRWRDHQ-AWEZNQCLSA-N 1 0 310.376 3.300 50 0 DGAARO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc2c(c1)OCCO2 ZINC000095419999 185360229 /nfs/dbraw/zinc/36/02/29/185360229.db2.gz LWZJOQAXXWVIQI-HNNXBMFYSA-N 1 0 314.385 3.102 50 0 DGAARO O=C(c1ccccc1F)N1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000095433915 185364019 /nfs/dbraw/zinc/36/40/19/185364019.db2.gz BJDXEZKIUFWKGB-OAHLLOKOSA-N 1 0 316.420 3.376 50 0 DGAARO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000095421614 185360671 /nfs/dbraw/zinc/36/06/71/185360671.db2.gz BHRPXRDIWBMLQJ-DGCLKSJQSA-N 1 0 319.430 3.178 50 0 DGAARO C[C@H]([NH2+]C[C@@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 ZINC000095423307 185361227 /nfs/dbraw/zinc/36/12/27/185361227.db2.gz YUSBSWRTCZQGOW-MEDUHNTESA-N 1 0 311.328 3.439 50 0 DGAARO CC(C)Oc1ccccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000095466220 185371760 /nfs/dbraw/zinc/37/17/60/185371760.db2.gz HJSNSLVFXZGHHX-GDBMZVCRSA-N 1 0 317.433 3.032 50 0 DGAARO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cnn(CC)c1 ZINC000097014416 185397353 /nfs/dbraw/zinc/39/73/53/185397353.db2.gz OEGPUOCLBVGHHM-KRWDZBQOSA-N 1 0 313.449 3.139 50 0 DGAARO OC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097033777 185399914 /nfs/dbraw/zinc/39/99/14/185399914.db2.gz QAYOGBXWODPTKW-AWEZNQCLSA-N 1 0 308.853 3.145 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000170048424 197766259 /nfs/dbraw/zinc/76/62/59/197766259.db2.gz FTPHZCHLZJFGQU-ZJUUUORDSA-N 1 0 318.314 3.044 50 0 DGAARO Cc1noc(C)c1C[N@@H+](C)C[C@@]1(c2ccccc2)CCOC1 ZINC000215861032 282383040 /nfs/dbraw/zinc/38/30/40/282383040.db2.gz BDDRRFGXAOMCGA-SFHVURJKSA-N 1 0 300.402 3.082 50 0 DGAARO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccccc1-c1ccccc1 ZINC000065373361 432012331 /nfs/dbraw/zinc/01/23/31/432012331.db2.gz DORNQCRDACUVKO-MSOLQXFVSA-N 1 0 306.409 3.207 50 0 DGAARO Fc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(Cl)c1 ZINC000105801978 432019705 /nfs/dbraw/zinc/01/97/05/432019705.db2.gz SKIIEIVZBCPOJN-CQSZACIVSA-N 1 0 320.799 3.028 50 0 DGAARO Cc1ccc(N2CCC[C@@H]([NH2+]C/C=C/c3ccccc3)C2)nn1 ZINC000069892476 190834108 /nfs/dbraw/zinc/83/41/08/190834108.db2.gz QKWODQBZXBGAJE-QKYXPGDISA-N 1 0 308.429 3.057 50 0 DGAARO O=C(C1CCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071755212 191024389 /nfs/dbraw/zinc/02/43/89/191024389.db2.gz GKVYEDQFKMRMFK-XUVXKRRUSA-N 1 0 324.468 3.265 50 0 DGAARO CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]2c2ccc(C)s2)CC1 ZINC000071853412 191031363 /nfs/dbraw/zinc/03/13/63/191031363.db2.gz GCYCIGBMJUYXSB-CABCVRRESA-N 1 0 306.475 3.103 50 0 DGAARO C[NH+]1CCC(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000072123809 191041764 /nfs/dbraw/zinc/04/17/64/191041764.db2.gz NVSYHCXKOJTQGN-UHFFFAOYSA-N 1 0 308.425 3.234 50 0 DGAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000066948524 432024256 /nfs/dbraw/zinc/02/42/56/432024256.db2.gz RCTMJWVWOPQNAD-INIZCTEOSA-N 1 0 313.445 3.043 50 0 DGAARO COc1ccccc1-c1ccc(C(=O)N2CCC[C@H]([NH3+])CC2)cc1 ZINC000072151608 191056200 /nfs/dbraw/zinc/05/62/00/191056200.db2.gz UKRJACSCDMNNSW-KRWDZBQOSA-N 1 0 324.424 3.316 50 0 DGAARO C[C@H](Nc1nc(-c2cccnc2)nc2c1C[NH2+]C2)c1ccccc1 ZINC000072161956 191062796 /nfs/dbraw/zinc/06/27/96/191062796.db2.gz MGRFDGMDWFXWET-ZDUSSCGKSA-N 1 0 317.396 3.315 50 0 DGAARO CN(Cc1ccoc1)C(=O)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072163651 191063837 /nfs/dbraw/zinc/06/38/37/191063837.db2.gz WGNSZHYHEVFZRC-MRXNPFEDSA-N 1 0 312.413 3.094 50 0 DGAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2ccc(OC(F)F)cc2)C1 ZINC000072169508 191067835 /nfs/dbraw/zinc/06/78/35/191067835.db2.gz CYRVNOZBSNHUTC-ZDUSSCGKSA-N 1 0 310.388 3.347 50 0 DGAARO COc1ccc(OC[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072171297 191069504 /nfs/dbraw/zinc/06/95/04/191069504.db2.gz BBHMLMFCWIFZDW-KRWDZBQOSA-N 1 0 312.413 3.381 50 0 DGAARO NC(=O)c1cccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000066992289 432024708 /nfs/dbraw/zinc/02/47/08/432024708.db2.gz UXRMVQFFWJBNBX-UHFFFAOYSA-N 1 0 312.388 3.484 50 0 DGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OC)cc1OC ZINC000072298366 191113040 /nfs/dbraw/zinc/11/30/40/191113040.db2.gz ZMYVXKNBZCXUCF-INIZCTEOSA-N 1 0 315.417 3.087 50 0 DGAARO C1=CO[C@@H](C[NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000194219272 186269681 /nfs/dbraw/zinc/26/96/81/186269681.db2.gz YHDPVBRDEMZLQY-QGZVFWFLSA-N 1 0 301.434 3.244 50 0 DGAARO C1=CO[C@H](C[NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000194219255 186269877 /nfs/dbraw/zinc/26/98/77/186269877.db2.gz YHDPVBRDEMZLQY-KRWDZBQOSA-N 1 0 301.434 3.244 50 0 DGAARO O=C(c1ccccc1)N1CC[C@@H](C[N@H+](CC2CC2)C2CCC2)C1 ZINC000253392411 186303125 /nfs/dbraw/zinc/30/31/25/186303125.db2.gz BKGSFEJAPXWKJB-QGZVFWFLSA-N 1 0 312.457 3.413 50 0 DGAARO Cc1csc2nc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)cc(=O)n12 ZINC000067132629 432027514 /nfs/dbraw/zinc/02/75/14/432027514.db2.gz RRFNNMHBODCXBF-HIFRSBDPSA-N 1 0 317.458 3.219 50 0 DGAARO CC[NH+](CC)C[C@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000107064375 432027595 /nfs/dbraw/zinc/02/75/95/432027595.db2.gz LSAZOGMFNKMHGF-ZIAGYGMSSA-N 1 0 308.470 3.092 50 0 DGAARO Cc1ccccc1SC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000072407258 191152816 /nfs/dbraw/zinc/15/28/16/191152816.db2.gz BTRKAFBTLFVICS-UHFFFAOYSA-N 1 0 301.459 3.485 50 0 DGAARO Cc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3C)o1 ZINC000072421609 191158976 /nfs/dbraw/zinc/15/89/76/191158976.db2.gz PGQRUFSHRQJLGI-DLBZAZTESA-N 1 0 324.424 3.308 50 0 DGAARO C[C@@H](C1CCCCC1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072435512 191165381 /nfs/dbraw/zinc/16/53/81/191165381.db2.gz QRDWEXKUSHFSIA-AWEZNQCLSA-N 1 0 313.449 3.381 50 0 DGAARO CNc1nc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)ncc1F ZINC000072435931 191166531 /nfs/dbraw/zinc/16/65/31/191166531.db2.gz YMXYNIMQRKKSOT-CQSZACIVSA-N 1 0 321.444 3.114 50 0 DGAARO COc1ccc(C(=O)N2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000000207726 180725853 /nfs/dbraw/zinc/72/58/53/180725853.db2.gz BSDWLXBOPGPVSI-UHFFFAOYSA-N 1 0 316.445 3.032 50 0 DGAARO Cc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000107348844 432030944 /nfs/dbraw/zinc/03/09/44/432030944.db2.gz FXQKLJFGBGTUDV-UYAOXDASSA-N 1 0 322.452 3.476 50 0 DGAARO COc1ccc(Oc2ccc(C[NH+]3CCCC3)cc2OC)cn1 ZINC000067459663 432031708 /nfs/dbraw/zinc/03/17/08/432031708.db2.gz IGIBORVKIMMSDO-UHFFFAOYSA-N 1 0 314.385 3.487 50 0 DGAARO CC(C)=CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000067515044 432032196 /nfs/dbraw/zinc/03/21/96/432032196.db2.gz SUDSBNABHUPUFT-OAHLLOKOSA-N 1 0 304.409 3.120 50 0 DGAARO COc1cccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000002451788 180924083 /nfs/dbraw/zinc/92/40/83/180924083.db2.gz GRNPLWSWJRRCFT-CQSZACIVSA-N 1 0 309.450 3.239 50 0 DGAARO CCCCOCCC[NH2+]CC(=O)Nc1ccc(Cl)cc1F ZINC000003295874 181001747 /nfs/dbraw/zinc/00/17/47/181001747.db2.gz YDYFLVJWQKDWFG-UHFFFAOYSA-N 1 0 316.804 3.214 50 0 DGAARO COCC[NH2+]CCCOc1ccc(Cl)cc1Br ZINC000003461625 181023715 /nfs/dbraw/zinc/02/37/15/181023715.db2.gz OLLBFDSRVPNSDT-UHFFFAOYSA-N 1 0 322.630 3.107 50 0 DGAARO C[C@@H](Oc1ccccc1)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028165 181064167 /nfs/dbraw/zinc/06/41/67/181064167.db2.gz COVCNGRWIKQEQM-SOLBZPMBSA-N 1 0 317.429 3.262 50 0 biogenic DGAARO C[NH+](C)CCCNC(=O)C[C@H](c1ccco1)c1ccc(F)cc1 ZINC000004296027 181094527 /nfs/dbraw/zinc/09/45/27/181094527.db2.gz HNGJMMBFDRTFFP-INIZCTEOSA-N 1 0 318.392 3.009 50 0 DGAARO [NH3+]C[C@H]1Cc2c(c(-c3ccc(C(F)(F)F)nc3)ccc2F)O1 ZINC000067754977 432038633 /nfs/dbraw/zinc/03/86/33/432038633.db2.gz YPMBKLVUUKHUIB-SECBINFHSA-N 1 0 312.266 3.169 50 0 DGAARO COc1ccc(C[NH2+][C@@H](CO)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004427934 181109408 /nfs/dbraw/zinc/10/94/08/181109408.db2.gz XSFCPTRRAKOYQQ-DRZUXFPHSA-N 1 0 315.457 3.362 50 0 DGAARO O=C(NC1CCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000004699636 181139073 /nfs/dbraw/zinc/13/90/73/181139073.db2.gz ATLCJAWLGPCUFG-UHFFFAOYSA-N 1 0 304.409 3.097 50 0 DGAARO Fc1ccccc1C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000089813372 283029006 /nfs/dbraw/zinc/02/90/06/283029006.db2.gz YOBONGPSEQJALX-XYPHTWIQSA-N 1 0 301.405 3.405 50 0 DGAARO C[C@H](c1ccc(-c2nccn2CCn2ccnc2)cc1)[NH+](C)C ZINC000067786697 432040651 /nfs/dbraw/zinc/04/06/51/432040651.db2.gz NMBITAIUFHLBIV-OAHLLOKOSA-N 1 0 309.417 3.069 50 0 DGAARO CCCOc1ccccc1OCCOCC[NH+]1CCCCC1 ZINC000004869150 181166277 /nfs/dbraw/zinc/16/62/77/181166277.db2.gz MNOSKCBUGMXDON-UHFFFAOYSA-N 1 0 307.434 3.357 50 0 DGAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2cccs2)nc1 ZINC000075502289 191481351 /nfs/dbraw/zinc/48/13/51/191481351.db2.gz XVOXCPZTBRQCAE-UHFFFAOYSA-N 1 0 315.442 3.026 50 0 DGAARO COc1ccc(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000005811656 181285872 /nfs/dbraw/zinc/28/58/72/181285872.db2.gz GXTUEUWFEKEQHJ-KRWDZBQOSA-N 1 0 313.397 3.142 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2sc(C3CCCC3)nc2C)C1 ZINC000237088650 202150920 /nfs/dbraw/zinc/15/09/20/202150920.db2.gz AGAWAIYSDZNRIC-CYBMUJFWSA-N 1 0 321.490 3.181 50 0 DGAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237149157 202167026 /nfs/dbraw/zinc/16/70/26/202167026.db2.gz SXDWIFYTLQUXBU-WCQYABFASA-N 1 0 314.351 3.181 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000237197277 202185472 /nfs/dbraw/zinc/18/54/72/202185472.db2.gz DOABLOHWEUDGCQ-VIFPVBQESA-N 1 0 319.207 3.204 50 0 DGAARO C[NH+](C)CCNc1ccc(C(F)(F)F)cc1Br ZINC000133444568 432064244 /nfs/dbraw/zinc/06/42/44/432064244.db2.gz LNVBJZPFQJJVRD-UHFFFAOYSA-N 1 0 311.145 3.441 50 0 DGAARO CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(OC)c1 ZINC000170131717 432072618 /nfs/dbraw/zinc/07/26/18/432072618.db2.gz QNJNKHIQUVCQBA-UHFFFAOYSA-N 1 0 312.413 3.198 50 0 DGAARO Cc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)cc[nH+]1 ZINC000170597220 432073891 /nfs/dbraw/zinc/07/38/91/432073891.db2.gz UGKLXGGQWOKOGF-UHFFFAOYSA-N 1 0 301.434 3.009 50 0 DGAARO c1cc2c(ncnc2N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000170620449 432074587 /nfs/dbraw/zinc/07/45/87/432074587.db2.gz XBZPRVMQZLTMRK-HNNXBMFYSA-N 1 0 307.401 3.034 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000237355666 202242570 /nfs/dbraw/zinc/24/25/70/202242570.db2.gz KIRVNTZQTGCRDV-APWZRJJASA-N 1 0 322.452 3.477 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc3ccccc3c2)N1 ZINC000007126863 283410358 /nfs/dbraw/zinc/41/03/58/283410358.db2.gz UVXSOMGZXFWLJH-KRWDZBQOSA-N 1 0 313.364 3.286 50 0 DGAARO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)Cc1ccccc1F ZINC000188132309 200198523 /nfs/dbraw/zinc/19/85/23/200198523.db2.gz XDYBWMIUYANVBC-SWLSCSKDSA-N 1 0 302.397 3.035 50 0 DGAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000237579078 202289665 /nfs/dbraw/zinc/28/96/65/202289665.db2.gz VYCZLLBTQIVXAU-SJLPKXTDSA-N 1 0 314.473 3.479 50 0 DGAARO Cc1cc(CNC(=O)C(C)(C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000237599187 202298003 /nfs/dbraw/zinc/29/80/03/202298003.db2.gz MHWMOKUEXNFVIT-UHFFFAOYSA-N 1 0 316.376 3.280 50 0 DGAARO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000237700045 202332177 /nfs/dbraw/zinc/33/21/77/202332177.db2.gz WTDVUVFFFDXZDE-NHYWBVRUSA-N 1 0 302.349 3.101 50 0 DGAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)co1 ZINC000188497207 200256540 /nfs/dbraw/zinc/25/65/40/200256540.db2.gz QNYPDPYXDRWOSF-UHFFFAOYSA-N 1 0 316.376 3.122 50 0 DGAARO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000237939443 202398763 /nfs/dbraw/zinc/39/87/63/202398763.db2.gz YEWCBQUODBYZBV-GOSISDBHSA-N 1 0 312.388 3.132 50 0 DGAARO CC[C@H]1CCc2sc(C(=O)NC3CC[NH+](C)CC3)cc2C1 ZINC000005960953 181301564 /nfs/dbraw/zinc/30/15/64/181301564.db2.gz NHBLPIVJURNNRV-LBPRGKRZSA-N 1 0 306.475 3.087 50 0 DGAARO Cc1cccnc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193877897 201137484 /nfs/dbraw/zinc/13/74/84/201137484.db2.gz DCHXLYBQHGGTCG-KRWDZBQOSA-N 1 0 324.428 3.034 50 0 DGAARO COc1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc1C ZINC000194376849 201214068 /nfs/dbraw/zinc/21/40/68/201214068.db2.gz IRJYECIYQZZNJS-NVXWUHKLSA-N 1 0 307.459 3.148 50 0 DGAARO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194895418 201306670 /nfs/dbraw/zinc/30/66/70/201306670.db2.gz IRTOUADZCVOCCZ-XYPHTWIQSA-N 1 0 315.417 3.334 50 0 DGAARO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)no1 ZINC000195518068 201396458 /nfs/dbraw/zinc/39/64/58/201396458.db2.gz ZXMVZQVLWRIELL-HNNXBMFYSA-N 1 0 322.412 3.381 50 0 DGAARO CN(C)C(=O)c1cc([C@H]2CC[C@H](C[NH3+])CC2)nc2ccccc21 ZINC000245224196 202513451 /nfs/dbraw/zinc/51/34/51/202513451.db2.gz SGKMSNVXSHCVBX-HDJSIYSDSA-N 1 0 311.429 3.169 50 0 DGAARO C[NH+]1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000006730990 181379193 /nfs/dbraw/zinc/37/91/93/181379193.db2.gz GHFMMAPLZRJXML-UHFFFAOYSA-N 1 0 302.205 3.209 50 0 DGAARO Cc1cc(-c2ccc(C[NH2+]CCO)o2)ccc1Br ZINC000006743095 181381253 /nfs/dbraw/zinc/38/12/53/181381253.db2.gz MIMROSJTZLHEHT-UHFFFAOYSA-N 1 0 310.191 3.099 50 0 DGAARO C[C@H]1CCCC[N@@H+]1CCCn1cnc2c3ccccc3[nH]c2c1=O ZINC000006809301 181392664 /nfs/dbraw/zinc/39/26/64/181392664.db2.gz GVHPITYFPDOHEE-AWEZNQCLSA-N 1 0 324.428 3.142 50 0 DGAARO O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091550807 193072206 /nfs/dbraw/zinc/07/22/06/193072206.db2.gz MRKINYNWWMAZBK-CRAIPNDOSA-N 1 0 316.420 3.162 50 0 DGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)OC)CC2)C1 ZINC000091575265 193074788 /nfs/dbraw/zinc/07/47/88/193074788.db2.gz RGZYVNORVHQUNO-KRWDZBQOSA-N 1 0 316.445 3.344 50 0 DGAARO CCC[N@@H+]1CCC[C@H](Cn2cc(-c3ccc(Cl)nc3)nn2)C1 ZINC000091664583 193087206 /nfs/dbraw/zinc/08/72/06/193087206.db2.gz OVGSTUKPQRDOPQ-ZDUSSCGKSA-N 1 0 319.840 3.116 50 0 DGAARO Cc1ccc2nc(C[N@@H+]3CCC[C@](CO)(CC4CC4)C3)cn2c1 ZINC000091707627 193095043 /nfs/dbraw/zinc/09/50/43/193095043.db2.gz HUZCZUFUANQEKR-IBGZPJMESA-N 1 0 313.445 3.017 50 0 DGAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1F ZINC000091629885 193081967 /nfs/dbraw/zinc/08/19/67/193081967.db2.gz WBLDHBSEKFJYKG-ZDUSSCGKSA-N 1 0 318.371 3.271 50 0 DGAARO CCCN(CCC[NH+](C)C)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000252488031 202845208 /nfs/dbraw/zinc/84/52/08/202845208.db2.gz IHPLTCWLRKHTDO-UHFFFAOYSA-N 1 0 319.424 3.040 50 0 DGAARO c1nc2cnccn2c1C[N@H+]1CCC[C@H](COc2ccccc2)C1 ZINC000093364666 193239555 /nfs/dbraw/zinc/23/95/55/193239555.db2.gz FXAJLSNAGSTQID-INIZCTEOSA-N 1 0 322.412 3.020 50 0 DGAARO Brc1cccc(OCC[NH2+]C[C@@H]2CCCS2)c1 ZINC000096300586 193611878 /nfs/dbraw/zinc/61/18/78/193611878.db2.gz LDIHYTLBLUSLBN-ZDUSSCGKSA-N 1 0 316.264 3.313 50 0 DGAARO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)SC)c1 ZINC000096478860 193663358 /nfs/dbraw/zinc/66/33/58/193663358.db2.gz MEKCNVYXNYSVPI-GFCCVEGCSA-N 1 0 310.463 3.144 50 0 DGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C/c1ccco1 ZINC000007945591 181510358 /nfs/dbraw/zinc/51/03/58/181510358.db2.gz RTVLUHWGURGKGM-VAWYXSNFSA-N 1 0 312.413 3.451 50 0 DGAARO Cc1ccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccncc2)cc1 ZINC000011790504 181705590 /nfs/dbraw/zinc/70/55/90/181705590.db2.gz RERSXSREJBGZMG-LJQANCHMSA-N 1 0 323.440 3.061 50 0 DGAARO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000013322767 181842881 /nfs/dbraw/zinc/84/28/81/181842881.db2.gz ZAXMBNOLDCVCNF-UHFFFAOYSA-N 1 0 307.825 3.432 50 0 DGAARO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2)c2ccco2)CC1 ZINC000015860054 182022684 /nfs/dbraw/zinc/02/26/84/182022684.db2.gz QTZXADYSOWFYOY-QGZVFWFLSA-N 1 0 312.413 3.483 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000016603968 182052479 /nfs/dbraw/zinc/05/24/79/182052479.db2.gz ZJJKYHZZLMTZSI-UHFFFAOYSA-N 1 0 306.475 3.231 50 0 DGAARO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000018180470 182097251 /nfs/dbraw/zinc/09/72/51/182097251.db2.gz BSSFCJIJJCHFND-KRWDZBQOSA-N 1 0 313.376 3.222 50 0 DGAARO Cc1ccccc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019537372 182129164 /nfs/dbraw/zinc/12/91/64/182129164.db2.gz FLDFPFCHOCTDEV-UHFFFAOYSA-N 1 0 324.424 3.042 50 0 DGAARO COc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2)cc1OC ZINC000019720972 182138093 /nfs/dbraw/zinc/13/80/93/182138093.db2.gz RABAFOZVJYSVDL-UHFFFAOYSA-N 1 0 307.340 3.314 50 0 DGAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1cccc(F)c1 ZINC000019720368 182138662 /nfs/dbraw/zinc/13/86/62/182138662.db2.gz RTPHPPXPQPBABA-UHFFFAOYSA-N 1 0 319.376 3.184 50 0 DGAARO CC1CCC([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000019637354 182134335 /nfs/dbraw/zinc/13/43/35/182134335.db2.gz RFHBJFBXJNAVRL-UHFFFAOYSA-N 1 0 316.445 3.112 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019637050 182134691 /nfs/dbraw/zinc/13/46/91/182134691.db2.gz GNLDVAXWJJLACF-NVXWUHKLSA-N 1 0 316.445 3.112 50 0 DGAARO CCOc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)[NH2+]CC2 ZINC000019848064 182156351 /nfs/dbraw/zinc/15/63/51/182156351.db2.gz ZUYPTSPXKIXCHL-GOSISDBHSA-N 1 0 301.361 3.468 50 0 biogenic DGAARO C[C@@H](NC(=O)CCC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000097638103 193742089 /nfs/dbraw/zinc/74/20/89/193742089.db2.gz HCLDWZYREHQDND-GFCCVEGCSA-N 1 0 310.388 3.264 50 0 DGAARO CC(C)CC[N@@H+]1CCN(C/C=C/c2ccccc2)C[C@@H]1CCO ZINC000020448977 182218775 /nfs/dbraw/zinc/21/87/75/182218775.db2.gz WZEWZBDQWCHROU-ZGBFETHSSA-N 1 0 316.489 3.115 50 0 DGAARO Cc1cccc(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)c1C ZINC000020534577 182227807 /nfs/dbraw/zinc/22/78/07/182227807.db2.gz KQGOTMJYWHSGSQ-UHFFFAOYSA-N 1 0 320.396 3.370 50 0 DGAARO Cc1ccc(-n2cc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000020537438 182228749 /nfs/dbraw/zinc/22/87/49/182228749.db2.gz VIQKZPAFNUFZBI-HXUWFJFHSA-N 1 0 324.472 3.241 50 0 DGAARO O[C@H](C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000022029964 182305443 /nfs/dbraw/zinc/30/54/43/182305443.db2.gz QKQLDJIRSWQZPF-ZWKOTPCHSA-N 1 0 314.429 3.130 50 0 DGAARO O[C@@H](C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000022029968 182305679 /nfs/dbraw/zinc/30/56/79/182305679.db2.gz QKQLDJIRSWQZPF-ROUUACIJSA-N 1 0 314.429 3.130 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000022622923 182328483 /nfs/dbraw/zinc/32/84/83/182328483.db2.gz VWJXVLKRXIRYLH-HNNXBMFYSA-N 1 0 315.417 3.139 50 0 DGAARO COc1ccc(C[NH2+]Cc2cccc(OC)c2OC)cc1OC ZINC000022772061 182334241 /nfs/dbraw/zinc/33/42/41/182334241.db2.gz UBEWXNWSJKFMQV-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1F)c1cccs1 ZINC000022892838 182339241 /nfs/dbraw/zinc/33/92/41/182339241.db2.gz QDCVPXAEDWNZMZ-CYBMUJFWSA-N 1 0 307.394 3.312 50 0 DGAARO COc1ccc(C[C@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)cc1 ZINC000023282354 182355644 /nfs/dbraw/zinc/35/56/44/182355644.db2.gz KAUZRGVWVDOYSC-AWEZNQCLSA-N 1 0 315.413 3.433 50 0 DGAARO C[NH+]1CCC(CNC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023013648 182345000 /nfs/dbraw/zinc/34/50/00/182345000.db2.gz CNPPLDPWNQKVKK-UHFFFAOYSA-N 1 0 322.452 3.354 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1cccs1 ZINC000023105500 182347590 /nfs/dbraw/zinc/34/75/90/182347590.db2.gz ZXKHCKUCIZKYQT-CQSZACIVSA-N 1 0 322.861 3.363 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1cccs1 ZINC000023105498 182347718 /nfs/dbraw/zinc/34/77/18/182347718.db2.gz ZXKHCKUCIZKYQT-AWEZNQCLSA-N 1 0 322.861 3.363 50 0 DGAARO CCC[N@H+](CC1CC1)CC1N=NC(=S)N1c1ccccc1 ZINC000023550113 182363098 /nfs/dbraw/zinc/36/30/98/182363098.db2.gz LQTPJWRVSFOPJH-UHFFFAOYSA-N 1 0 302.447 3.178 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H](C)c3ccccc3)nc12 ZINC000024685587 182387851 /nfs/dbraw/zinc/38/78/51/182387851.db2.gz WFCXWSLILGBDCQ-OAHLLOKOSA-N 1 0 307.397 3.196 50 0 DGAARO CC(=O)c1ccc(NC(=O)CC[NH+]2CCCCCCC2)cc1 ZINC000024896396 182394504 /nfs/dbraw/zinc/39/45/04/182394504.db2.gz BRTMAFXEXMKCRW-UHFFFAOYSA-N 1 0 302.418 3.484 50 0 DGAARO Cc1cccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000026179216 182432625 /nfs/dbraw/zinc/43/26/25/182432625.db2.gz DRAHSZFPLCTUOF-UHFFFAOYSA-N 1 0 303.450 3.103 50 0 DGAARO C[NH+](C)C1(CNC(=O)NCc2ccc(Cl)cc2)CCCCC1 ZINC000032843748 182671306 /nfs/dbraw/zinc/67/13/06/182671306.db2.gz SJUYBAQMQGWHKJ-UHFFFAOYSA-N 1 0 323.868 3.404 50 0 DGAARO CC(C)C[NH+]1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000040150753 183040069 /nfs/dbraw/zinc/04/00/69/183040069.db2.gz CKKKOVPEMHPEMR-QGZVFWFLSA-N 1 0 316.489 3.492 50 0 DGAARO CCN(C(=O)C[N@H+](Cc1ccccc1)[C@H](C)C1CC1)C1CC1 ZINC000040120227 183038000 /nfs/dbraw/zinc/03/80/00/183038000.db2.gz CWCBFRXLZYJQLZ-OAHLLOKOSA-N 1 0 300.446 3.298 50 0 DGAARO COc1cccc(CN(C(=O)OC(C)(C)C)[C@H]2CCC[NH2+]C2)c1 ZINC000040449730 183068275 /nfs/dbraw/zinc/06/82/75/183068275.db2.gz WMPMUXOZONKSTJ-HNNXBMFYSA-N 1 0 320.433 3.184 50 0 DGAARO COc1ccc(CN(C(=O)OC(C)(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC000040449725 183068387 /nfs/dbraw/zinc/06/83/87/183068387.db2.gz YHAISHZFMMKICM-HNNXBMFYSA-N 1 0 320.433 3.184 50 0 DGAARO COc1ccc(CN(C(=O)OC(C)(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000040449723 183068506 /nfs/dbraw/zinc/06/85/06/183068506.db2.gz YHAISHZFMMKICM-OAHLLOKOSA-N 1 0 320.433 3.184 50 0 DGAARO O=C(c1cccs1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000085473274 296267798 /nfs/dbraw/zinc/26/77/98/296267798.db2.gz BLBVUOMHCIFTHX-AWEZNQCLSA-N 1 0 324.515 3.182 50 0 DGAARO Fc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042773535 183306900 /nfs/dbraw/zinc/30/69/00/183306900.db2.gz BRALKCHOHFHKAK-JTQLQIEISA-N 1 0 302.187 3.357 50 0 DGAARO CN(Cc1cccc(Cl)c1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000043147371 183341212 /nfs/dbraw/zinc/34/12/12/183341212.db2.gz MVBJXDFBHZRALT-UHFFFAOYSA-N 1 0 323.868 3.356 50 0 DGAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)C2CC2)CC1 ZINC000043841462 183387111 /nfs/dbraw/zinc/38/71/11/183387111.db2.gz MLWBXLBQSDBMMC-HNNXBMFYSA-N 1 0 315.461 3.057 50 0 DGAARO CCC[NH+]1CCC(NC(=O)CCc2ccccc2Cl)CC1 ZINC000044869613 183444538 /nfs/dbraw/zinc/44/45/38/183444538.db2.gz VZHOCSPOUAQUDM-UHFFFAOYSA-N 1 0 308.853 3.263 50 0 DGAARO CCN(C(=O)c1ccc[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630839 194239251 /nfs/dbraw/zinc/23/92/51/194239251.db2.gz CTGOYQZDOVTMIC-NVXWUHKLSA-N 1 0 311.429 3.312 50 0 DGAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)c1 ZINC000049600813 183747529 /nfs/dbraw/zinc/74/75/29/183747529.db2.gz GEEYVTOVODOQAC-OAHLLOKOSA-N 1 0 300.402 3.206 50 0 DGAARO CCC[NH+]1CCC(CNC(=O)/C=C/c2ccccc2F)CC1 ZINC000058169129 184083742 /nfs/dbraw/zinc/08/37/42/184083742.db2.gz XUGATMWHQYAUQP-BQYQJAHWSA-N 1 0 304.409 3.077 50 0 DGAARO COCc1ccccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000058155493 184081630 /nfs/dbraw/zinc/08/16/30/184081630.db2.gz COQFDLHSDABPOK-HNAYVOBHSA-N 1 0 318.461 3.073 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccccn3)C2)CC1 ZINC000058247467 184094778 /nfs/dbraw/zinc/09/47/78/184094778.db2.gz TYWOXXDJBYLMAV-MRXNPFEDSA-N 1 0 316.449 3.057 50 0 DGAARO COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1OC ZINC000058247657 184094892 /nfs/dbraw/zinc/09/48/92/184094892.db2.gz WVHDUJJUYMUGJJ-HNNXBMFYSA-N 1 0 321.804 3.180 50 0 DGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000058264451 184095605 /nfs/dbraw/zinc/09/56/05/184095605.db2.gz JQNIQVXJFIVLAX-QGZVFWFLSA-N 1 0 300.446 3.205 50 0 DGAARO O=C(Nc1cccc2cnccc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058312703 184104119 /nfs/dbraw/zinc/10/41/19/184104119.db2.gz RSTMWQNRXNYAHP-MRXNPFEDSA-N 1 0 324.428 3.327 50 0 DGAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(F)c(Cl)c1 ZINC000058315917 184104504 /nfs/dbraw/zinc/10/45/04/184104504.db2.gz IHHCAAIKXOCMNA-GHMZBOCLSA-N 1 0 308.788 3.068 50 0 DGAARO CC[N@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(C)C ZINC000058420305 184115937 /nfs/dbraw/zinc/11/59/37/184115937.db2.gz VJWSNUVQKCNXNH-UHFFFAOYSA-N 1 0 302.340 3.209 50 0 DGAARO C[NH+]1CCC(NC(=S)N2CCC[C@H]2CC2CCCCC2)CC1 ZINC000060837483 184156478 /nfs/dbraw/zinc/15/64/78/184156478.db2.gz XYMAPTFCUNBGNI-KRWDZBQOSA-N 1 0 323.550 3.390 50 0 DGAARO O=S(=O)(CC[NH2+]C1CCCCCC1)c1ccc(Cl)cc1 ZINC000060934954 184158266 /nfs/dbraw/zinc/15/82/66/184158266.db2.gz WODOFLICKDLKJF-UHFFFAOYSA-N 1 0 315.866 3.426 50 0 DGAARO O=C(NCC[NH+]1CCCCC1)c1ccnc(-c2cccs2)c1 ZINC000064676011 184302118 /nfs/dbraw/zinc/30/21/18/184302118.db2.gz MYSJFNQHQMBZEB-UHFFFAOYSA-N 1 0 315.442 3.026 50 0 DGAARO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000065286745 184322027 /nfs/dbraw/zinc/32/20/27/184322027.db2.gz DICTZEQQHZPWJZ-HNNXBMFYSA-N 1 0 312.417 3.070 50 0 DGAARO c1coc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000065287326 184322447 /nfs/dbraw/zinc/32/24/47/184322447.db2.gz IEDUBTRVGFLVMB-UHFFFAOYSA-N 1 0 308.385 3.444 50 0 DGAARO CC(C)c1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)on1 ZINC000065396795 184335034 /nfs/dbraw/zinc/33/50/34/184335034.db2.gz RIEPCDWIIANVMF-FUHWJXTLSA-N 1 0 318.392 3.288 50 0 DGAARO CCC[N@@H+]1CCC=C(CNC(=O)Nc2ccc(OC)cc2C)C1 ZINC000065383342 184332669 /nfs/dbraw/zinc/33/26/69/184332669.db2.gz LKSGFCCTRDCDHO-UHFFFAOYSA-N 1 0 317.433 3.167 50 0 DGAARO CCc1nc(C)c(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2C)[nH]1 ZINC000065422959 184341895 /nfs/dbraw/zinc/34/18/95/184341895.db2.gz HHIIWTSRRHOYSQ-MRXNPFEDSA-N 1 0 315.465 3.230 50 0 DGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000065462786 184348802 /nfs/dbraw/zinc/34/88/02/184348802.db2.gz BMINBGWQPLHNML-YRGRVCCFSA-N 1 0 309.841 3.146 50 0 DGAARO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000065534645 184362515 /nfs/dbraw/zinc/36/25/15/184362515.db2.gz QMYHNQJJMMROIT-LLVKDONJSA-N 1 0 315.339 3.121 50 0 DGAARO C[NH+](C)CCCCCCCNC(=O)NCCc1cccs1 ZINC000065542321 184363693 /nfs/dbraw/zinc/36/36/93/184363693.db2.gz OOMYIOXMBWNILC-UHFFFAOYSA-N 1 0 311.495 3.102 50 0 DGAARO CCC[NH+]1CCC(NC(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC000065587175 184369418 /nfs/dbraw/zinc/36/94/18/184369418.db2.gz WYRAZDRWMYVFIJ-UHFFFAOYSA-N 1 0 300.446 3.017 50 0 DGAARO O[C@@H](C[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000065604914 184371704 /nfs/dbraw/zinc/37/17/04/184371704.db2.gz OMEWPFPWQIRGJZ-KSSFIOAISA-N 1 0 303.352 3.488 50 0 DGAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)[C@@H](C)n1cccn1 ZINC000069434595 184514623 /nfs/dbraw/zinc/51/46/23/184514623.db2.gz NPJUIGHPMBVODV-HUUCEWRRSA-N 1 0 307.401 3.079 50 0 DGAARO C[C@H]([NH2+]Cc1cscc1Br)[C@@H]1CCCOC1 ZINC000336780338 253001265 /nfs/dbraw/zinc/00/12/65/253001265.db2.gz QZXPIXSMYKUTHR-VHSXEESVSA-N 1 0 304.253 3.415 50 0 DGAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1(C)C ZINC000158847114 197306425 /nfs/dbraw/zinc/30/64/25/197306425.db2.gz LHZANOUHXMHKDM-SJORKVTESA-N 1 0 300.446 3.013 50 0 DGAARO C[C@H](CC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000158499262 197278151 /nfs/dbraw/zinc/27/81/51/197278151.db2.gz BOTRDZWTWSNDMO-VXGBXAGGSA-N 1 0 314.351 3.149 50 0 DGAARO C[N@@H+](CCC(=O)Nc1ccccc1Cl)CCC1CCOCC1 ZINC000120391244 195156647 /nfs/dbraw/zinc/15/66/47/195156647.db2.gz WFWVDWSEVFRXBE-UHFFFAOYSA-N 1 0 324.852 3.417 50 0 DGAARO Cc1c2ccccc2oc1[C@H]([NH2+]CCN1CCNC1=O)C(C)C ZINC000289640482 221121597 /nfs/dbraw/zinc/12/15/97/221121597.db2.gz BYXFJICNRPYBIX-MRXNPFEDSA-N 1 0 315.417 3.053 50 0 DGAARO CCn1c2ccccc2nc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020994837 256529052 /nfs/dbraw/zinc/52/90/52/256529052.db2.gz OVXMEIWGJFLCNP-MRXNPFEDSA-N 1 0 312.461 3.116 50 0 DGAARO Cc1nc(C)c(Br)c(N[C@H](CO)c2ccccc2)n1 ZINC000322990612 257237220 /nfs/dbraw/zinc/23/72/20/257237220.db2.gz YUEIEYSVAFVRBN-GFCCVEGCSA-N 1 0 322.206 3.001 50 0 DGAARO Cc1nc(-c2cccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)c2)cs1 ZINC000237626659 257238421 /nfs/dbraw/zinc/23/84/21/257238421.db2.gz FCJDURBDYBHKMR-XHDPSFHLSA-N 1 0 315.442 3.070 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000237404715 257239174 /nfs/dbraw/zinc/23/91/74/257239174.db2.gz SQBDJMBYRMLMBU-SNWMVGBSSA-N 1 0 313.228 3.345 50 0 DGAARO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000236737867 257239642 /nfs/dbraw/zinc/23/96/42/257239642.db2.gz MYVNOFBISYAMMY-ARFHVFGLSA-N 1 0 318.461 3.224 50 0 DGAARO [NH3+][C@H]1CC[C@@H]([C@H]2CC(=O)Nc3n[nH]c(-c4cccs4)c32)CC1 ZINC000243885860 257259643 /nfs/dbraw/zinc/25/96/43/257259643.db2.gz ACXHDZNIDQTWEV-OUAUKWLOSA-N 1 0 316.430 3.082 50 0 DGAARO Brc1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000240569352 257259917 /nfs/dbraw/zinc/25/99/17/257259917.db2.gz GZXJILPBTBJPID-HNNXBMFYSA-N 1 0 309.251 3.119 50 0 DGAARO OC(C[NH2+]Cc1ccccn1)(c1ccccc1)c1ccccc1 ZINC000020219098 257268882 /nfs/dbraw/zinc/26/88/82/257268882.db2.gz FEQLLWUHJWIXQN-UHFFFAOYSA-N 1 0 304.393 3.107 50 0 DGAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1ccc2occc2c1 ZINC000072408452 257270814 /nfs/dbraw/zinc/27/08/14/257270814.db2.gz WMPHUIRIROPDST-INIZCTEOSA-N 1 0 300.402 3.379 50 0 DGAARO Cc1nnc([C@@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000069660463 184834244 /nfs/dbraw/zinc/83/42/44/184834244.db2.gz NKYGPWKRYICZKR-GDBMZVCRSA-N 1 0 306.454 3.027 50 0 DGAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1(C)C ZINC000125976562 195799129 /nfs/dbraw/zinc/79/91/29/195799129.db2.gz LHZANOUHXMHKDM-IAGOWNOFSA-N 1 0 300.446 3.013 50 0 DGAARO c1cc2c(s1)CCC[C@@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC000095419801 285458292 /nfs/dbraw/zinc/45/82/92/285458292.db2.gz XSVFOFORDNFKBB-AWEZNQCLSA-N 1 0 316.474 3.276 50 0 DGAARO c1ccc(Cc2ccccc2OCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000004842322 400084885 /nfs/dbraw/zinc/08/48/85/400084885.db2.gz YNSWLFCCAHIQGE-LJQANCHMSA-N 1 0 311.425 3.425 50 0 DGAARO CCCc1cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)on1 ZINC000584890971 400122097 /nfs/dbraw/zinc/12/20/97/400122097.db2.gz 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Cc1nc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)nc2ccccc12 ZINC000072270575 400376910 /nfs/dbraw/zinc/37/69/10/400376910.db2.gz QVWCEOFFNHWEDM-OAHLLOKOSA-N 1 0 321.428 3.051 50 0 DGAARO Cn1c(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)nnc1C1CCC1 ZINC000124141825 400474986 /nfs/dbraw/zinc/47/49/86/400474986.db2.gz JTEMFVSIYOGCOL-VXGBXAGGSA-N 1 0 316.371 3.293 50 0 DGAARO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000077364754 400712836 /nfs/dbraw/zinc/71/28/36/400712836.db2.gz KSPMUCBJYJRMQI-QGZVFWFLSA-N 1 0 313.445 3.485 50 0 DGAARO C[NH+](C)CCCSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000170591247 400763049 /nfs/dbraw/zinc/76/30/49/400763049.db2.gz CNPYCIJFCFLWFP-UHFFFAOYSA-N 1 0 302.403 3.262 50 0 DGAARO O=C(NC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC1CCCC1 ZINC000178782417 400876663 /nfs/dbraw/zinc/87/66/63/400876663.db2.gz HLRFLGHDVKMLFY-CYBMUJFWSA-N 1 0 322.836 3.143 50 0 DGAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cccc3[nH]ccc32)cn1 ZINC000078880575 400830234 /nfs/dbraw/zinc/83/02/34/400830234.db2.gz 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/nfs/dbraw/zinc/92/66/41/400926641.db2.gz ZDWGQLAKDFWHBQ-TZMCWYRMSA-N 1 0 321.467 3.360 50 0 DGAARO Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000248162281 401067809 /nfs/dbraw/zinc/06/78/09/401067809.db2.gz YCAGHDLWISLTBP-OKYOBFRVSA-N 1 0 312.457 3.184 50 0 DGAARO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000060876762 401138751 /nfs/dbraw/zinc/13/87/51/401138751.db2.gz DDHMTADZXYTAQE-BZUAXINKSA-N 1 0 324.465 3.029 50 0 DGAARO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000252485826 401094717 /nfs/dbraw/zinc/09/47/17/401094717.db2.gz AUFAZGJAZBFXIX-UGNRZPKXSA-N 1 0 305.487 3.213 50 0 DGAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000252584938 401095911 /nfs/dbraw/zinc/09/59/11/401095911.db2.gz DXCXTBREVZEQFX-ZIFCJYIRSA-N 1 0 323.440 3.065 50 0 DGAARO C[C@H]1C[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H](C)C1 ZINC000253370326 401098408 /nfs/dbraw/zinc/09/84/08/401098408.db2.gz PMESYJGCRIUYKY-HALDLXJZSA-N 1 0 309.475 3.146 50 0 DGAARO OCC[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000630054675 401171244 /nfs/dbraw/zinc/17/12/44/401171244.db2.gz DHGAVJJMKGCRFD-VJANTYMQSA-N 1 0 315.457 3.090 50 0 DGAARO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC(F)(F)F)C2=O)cc1 ZINC000090101033 401257403 /nfs/dbraw/zinc/25/74/03/401257403.db2.gz YQPMFXHGYVYJBP-AAEUAGOBSA-N 1 0 300.324 3.031 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C12CCC2 ZINC000095423220 286382666 /nfs/dbraw/zinc/38/26/66/286382666.db2.gz YERGNNIBUQSHJG-SBEAFCBVSA-N 1 0 321.383 3.160 50 0 DGAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(OC)c1 ZINC000000188088 286379953 /nfs/dbraw/zinc/37/99/53/286379953.db2.gz SSLNFDGKAGXRFX-GOSISDBHSA-N 1 0 308.381 3.420 50 0 biogenic DGAARO C/C(=C\C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1cccc(Cl)c1 ZINC000269273316 432156173 /nfs/dbraw/zinc/15/61/73/432156173.db2.gz NPIDUTZBIPURDM-LBNDFQBJSA-N 1 0 306.837 3.329 50 0 DGAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000136475337 432157096 /nfs/dbraw/zinc/15/70/96/432157096.db2.gz ULGFMPIXDGJACU-ZBFHGGJFSA-N 1 0 324.424 3.429 50 0 DGAARO CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179006461 228348993 /nfs/dbraw/zinc/34/89/93/228348993.db2.gz AOTRFWLVBJWADI-MYSGNRETSA-N 1 0 312.413 3.076 50 0 DGAARO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C[NH3+])cc1 ZINC000299747297 229389009 /nfs/dbraw/zinc/38/90/09/229389009.db2.gz CNBZQDNVPYHEJU-VCBZYWHSSA-N 1 0 324.424 3.136 50 0 DGAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2CCc2ccccc2)C1 ZINC000299749778 229394003 /nfs/dbraw/zinc/39/40/03/229394003.db2.gz LMEQHTUHDCQGFO-KSZLIROESA-N 1 0 300.446 3.128 50 0 DGAARO O=C(NCC1(c2cccc(F)c2)CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000299801438 229462000 /nfs/dbraw/zinc/46/20/00/229462000.db2.gz YHIQSGRCSDOPIU-HNNXBMFYSA-N 1 0 318.436 3.143 50 0 DGAARO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000408519213 229625516 /nfs/dbraw/zinc/62/55/16/229625516.db2.gz SOUDLPMMZBLNAH-YCPHGPKFSA-N 1 0 318.461 3.090 50 0 DGAARO Cc1ccc2c(CC(=O)NC[C@@H](C(C)C)[NH+](C)C)coc2c1C ZINC000030610646 262540313 /nfs/dbraw/zinc/54/03/13/262540313.db2.gz RTJZATGMHNVSRM-KRWDZBQOSA-N 1 0 316.445 3.295 50 0 DGAARO c1ccc2c(c1)CCSC[C@H]2[NH2+]CCCOC[C@@H]1CCOC1 ZINC000095423023 262545573 /nfs/dbraw/zinc/54/55/73/262545573.db2.gz LEPITJVDHUTJRA-MAUKXSAKSA-N 1 0 321.486 3.050 50 0 DGAARO Cn1c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)nnc1C1CC1 ZINC000191363033 432255507 /nfs/dbraw/zinc/25/55/07/432255507.db2.gz OKKSOYCFTJIBIJ-SJORKVTESA-N 1 0 310.445 3.194 50 0 DGAARO C[NH+]1CCN(c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000019908879 273899228 /nfs/dbraw/zinc/89/92/28/273899228.db2.gz XYSNLULENDDWAK-UHFFFAOYSA-N 1 0 304.397 3.049 50 0 DGAARO COCCn1ccnc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000215237860 274041279 /nfs/dbraw/zinc/04/12/79/274041279.db2.gz UGTIDXLPMMHGEZ-GOSISDBHSA-N 1 0 313.445 3.299 50 0 DGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(F)ccc3C)[C@H]2C1 ZINC000299767207 274065567 /nfs/dbraw/zinc/06/55/67/274065567.db2.gz PGAJLTBFCUWBCI-FGTMMUONSA-N 1 0 307.409 3.293 50 0 DGAARO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)ccc1O ZINC000194994064 274094482 /nfs/dbraw/zinc/09/44/82/274094482.db2.gz ZGBLNDPIGZBQBQ-SJLPKXTDSA-N 1 0 313.397 3.411 50 0 DGAARO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000229625883 274279471 /nfs/dbraw/zinc/27/94/71/274279471.db2.gz JEEXKXGUBKZAFD-DOTOQJQBSA-N 1 0 309.413 3.493 50 0 DGAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000095369316 275004614 /nfs/dbraw/zinc/00/46/14/275004614.db2.gz LGMWREIOQWISTR-FQEVSTJZSA-N 1 0 320.436 3.236 50 0 DGAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000071753298 275004635 /nfs/dbraw/zinc/00/46/35/275004635.db2.gz KOSJKWCRSWMNLU-OTWHNJEPSA-N 1 0 310.441 3.076 50 0 DGAARO O=C1Nc2ccc(F)cc2C12CC[NH+](Cc1ccccc1)CC2 ZINC000072194241 275024696 /nfs/dbraw/zinc/02/46/96/275024696.db2.gz UWBXLXWTUPFQNA-UHFFFAOYSA-N 1 0 310.372 3.312 50 0 DGAARO c1ccc2c(c1)CC[C@@H](N1CC[NH+](C3CCSCC3)CC1)C2 ZINC000244884360 275069863 /nfs/dbraw/zinc/06/98/63/275069863.db2.gz YLDDODXCVGUTFL-LJQANCHMSA-N 1 0 316.514 3.057 50 0 DGAARO CCN(C(=O)c1cccnc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630787 276064656 /nfs/dbraw/zinc/06/46/56/276064656.db2.gz KYFVMMLIPLEDTF-APWZRJJASA-N 1 0 323.440 3.379 50 0 DGAARO CC[NH+](CC)CCCNC(=O)Nc1cc(Cl)ccc1F ZINC000040023799 276097148 /nfs/dbraw/zinc/09/71/48/276097148.db2.gz AZWKVUYRKPTIFZ-UHFFFAOYSA-N 1 0 301.793 3.333 50 0 DGAARO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000095952881 276267882 /nfs/dbraw/zinc/26/78/82/276267882.db2.gz XHRIQERUQXWFEZ-INIZCTEOSA-N 1 0 310.397 3.301 50 0 DGAARO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000108067015 276375617 /nfs/dbraw/zinc/37/56/17/276375617.db2.gz PMIRNAAXHVCTAE-VQHPVUNQSA-N 1 0 307.482 3.129 50 0 DGAARO CC[C@@H]([NH3+])C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000095467147 276431584 /nfs/dbraw/zinc/43/15/84/276431584.db2.gz ZQNMRQVXMYYVOA-CQSZACIVSA-N 1 0 314.351 3.149 50 0 DGAARO C[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000004071045 276930708 /nfs/dbraw/zinc/93/07/08/276930708.db2.gz PEKUOJUNFKUHJH-UHFFFAOYSA-N 1 0 304.397 3.049 50 0 DGAARO CN1C[C@@H]2C[C@@H](c3ccccc3C(F)(F)F)[N@@H+]3CCC[C@@]23C1=O ZINC000012455531 277199852 /nfs/dbraw/zinc/19/98/52/277199852.db2.gz GBBDSRWTPQCVJW-PJODQICGSA-N 1 0 324.346 3.073 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000121647425 277202268 /nfs/dbraw/zinc/20/22/68/277202268.db2.gz MDWALVPKRSJGAU-UONOGXRCSA-N 1 0 314.495 3.308 50 0 DGAARO COc1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc(OC)c1OC ZINC000093590723 277377612 /nfs/dbraw/zinc/37/76/12/277377612.db2.gz KAXIULCRKAVSNB-GASCZTMLSA-N 1 0 303.402 3.110 50 0 DGAARO COc1cc(-c2nc3ccccc3s2)cc2c1OCC[NH2+]C2 ZINC000299793307 277793498 /nfs/dbraw/zinc/79/34/98/277793498.db2.gz IMKPCWKNWQZIBF-UHFFFAOYSA-N 1 0 312.394 3.454 50 0 DGAARO C[C@@H](CCn1cncn1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095423614 278237255 /nfs/dbraw/zinc/23/72/55/278237255.db2.gz IQYVQRDZUCEHPL-HOCLYGCPSA-N 1 0 312.417 3.093 50 0 DGAARO C[C@H](Nc1cc(CC[NH3+])ncn1)c1ccccc1C(F)(F)F ZINC000067833681 278285572 /nfs/dbraw/zinc/28/55/72/278285572.db2.gz QHPQEVIYAYVJQV-JTQLQIEISA-N 1 0 310.323 3.170 50 0 DGAARO C[C@@H]([NH3+])[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000021948399 278311606 /nfs/dbraw/zinc/31/16/06/278311606.db2.gz KKBVMNKYVQAAIK-DYVFJYSZSA-N 1 0 319.449 3.098 50 0 DGAARO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000089662576 278434454 /nfs/dbraw/zinc/43/44/54/278434454.db2.gz DRLNDFUTPYYWAA-OCCSQVGLSA-N 1 0 314.495 3.165 50 0 DGAARO C[C@@H]1CCC[C@H]([NH2+][C@H](C(=O)NC2CC2)c2ccccc2)[C@H]1C ZINC000248128689 278523466 /nfs/dbraw/zinc/52/34/66/278523466.db2.gz XSXAFQOMDFGVJG-BODMPHMZSA-N 1 0 300.446 3.421 50 0 DGAARO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000108372121 431136194 /nfs/dbraw/zinc/13/61/94/431136194.db2.gz JRNXJRUIIIVKBI-ZHALLVOQSA-N 1 0 324.509 3.208 50 0 DGAARO C[C@H](CSC(C)(C)C)[NH2+]CCc1nnc2n1CCCCC2 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c1[nH]nc(-c2cccnc2)c1C[NH2+]CCSCc1ccccc1 ZINC000069387802 431181985 /nfs/dbraw/zinc/18/19/85/431181985.db2.gz BMPABJCGUDPJDB-UHFFFAOYSA-N 1 0 324.453 3.495 50 0 DGAARO COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000069487987 431188525 /nfs/dbraw/zinc/18/85/25/431188525.db2.gz KBOMCWCBVDKYSY-ZWKOTPCHSA-N 1 0 324.424 3.499 50 0 DGAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)c1 ZINC000069521619 431194487 /nfs/dbraw/zinc/19/44/87/431194487.db2.gz XHAJLVJKXBFXCD-GFCCVEGCSA-N 1 0 316.430 3.395 50 0 DGAARO Cc1ccc([C@H](CNC(=O)Cc2cccs2)[NH+]2CCCC2)o1 ZINC000069559855 431198780 /nfs/dbraw/zinc/19/87/80/431198780.db2.gz WLQWCPUKYRWDAN-HNNXBMFYSA-N 1 0 318.442 3.145 50 0 DGAARO C/C(=C/C(=O)N(C)C1CC[NH+](C)CC1)CCc1ccccc1 ZINC000069550305 431200137 /nfs/dbraw/zinc/20/01/37/431200137.db2.gz YECYBXXSAYNPKK-NXVVXOECSA-N 1 0 300.446 3.118 50 0 DGAARO Brc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000000200706 431144999 /nfs/dbraw/zinc/14/49/99/431144999.db2.gz PHMPZNVCQXIDFT-UHFFFAOYSA-N 1 0 320.186 3.468 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000000213075 431146170 /nfs/dbraw/zinc/14/61/70/431146170.db2.gz LEQYMOQTMDTRQD-ZDUSSCGKSA-N 1 0 310.388 3.045 50 0 DGAARO CCOC(=O)N1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000000212244 431148182 /nfs/dbraw/zinc/14/81/82/431148182.db2.gz FBRVQBGOYZQKAF-UHFFFAOYSA-N 1 0 306.450 3.022 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000000237737 431151752 /nfs/dbraw/zinc/15/17/52/431151752.db2.gz ISPDNSPGFCAIRM-AWEZNQCLSA-N 1 0 310.388 3.045 50 0 DGAARO COc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1OC ZINC000000243821 431152922 /nfs/dbraw/zinc/15/29/22/431152922.db2.gz XPRMVYGQLOXUTB-UHFFFAOYSA-N 1 0 318.461 3.154 50 0 DGAARO COc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)c(C(C)(C)C)c1 ZINC000002624245 431257734 /nfs/dbraw/zinc/25/77/34/431257734.db2.gz LGKZHIZKWDAFRJ-HNNXBMFYSA-N 1 0 321.461 3.265 50 0 DGAARO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069653428 431209197 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CCOc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000069921446 431233355 /nfs/dbraw/zinc/23/33/55/431233355.db2.gz XNAYDKDODNEZCK-GFCCVEGCSA-N 1 0 311.385 3.106 50 0 DGAARO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c3cccnc23)cn1 ZINC000069921740 431233858 /nfs/dbraw/zinc/23/38/58/431233858.db2.gz CJPWMNGXHHSUPI-KRWDZBQOSA-N 1 0 310.376 3.445 50 0 DGAARO CC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(C(F)(F)F)c1 ZINC000001846294 431239635 /nfs/dbraw/zinc/23/96/35/431239635.db2.gz JSJCTEKTBOKRST-JTQLQIEISA-N 1 0 310.747 3.363 50 0 in-man DGAARO O=C(OCc1ccccc1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000002391761 431252321 /nfs/dbraw/zinc/25/23/21/431252321.db2.gz ZYXVUJHYDUORFN-UHFFFAOYSA-N 1 0 302.418 3.035 50 0 DGAARO C[C@@H]1C[NH2+]CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002527237 431254165 /nfs/dbraw/zinc/25/41/65/431254165.db2.gz KKHIFBVXMMTWHI-CQSZACIVSA-N 1 0 322.408 3.229 50 0 DGAARO CCOC(=O)CCCCC(=O)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514932 431255703 /nfs/dbraw/zinc/25/57/03/431255703.db2.gz 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/nfs/dbraw/zinc/29/45/29/431294529.db2.gz YTSKXPNQDXUKCD-UMVBOHGHSA-N 1 0 323.868 3.156 50 0 DGAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)c1 ZINC000071875966 431306366 /nfs/dbraw/zinc/30/63/66/431306366.db2.gz HVGKAQQJVSLFOU-INIZCTEOSA-N 1 0 324.428 3.430 50 0 DGAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1F ZINC000007941631 431370217 /nfs/dbraw/zinc/37/02/17/431370217.db2.gz LKALSZVGZZJMDR-UHFFFAOYSA-N 1 0 300.377 3.126 50 0 DGAARO O=C1NC[C@]2(CCC[N@H+](Cc3ccccc3-c3ccccc3)C2)O1 ZINC000072127190 431330701 /nfs/dbraw/zinc/33/07/01/431330701.db2.gz JDPJJDHIAHZHKY-FQEVSTJZSA-N 1 0 322.408 3.428 50 0 DGAARO O=C(NCCC[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000007078615 431331993 /nfs/dbraw/zinc/33/19/93/431331993.db2.gz DJCDUYQYAMNODR-UHFFFAOYSA-N 1 0 304.478 3.195 50 0 DGAARO O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCCCCC1 ZINC000007064434 431333432 /nfs/dbraw/zinc/33/34/32/431333432.db2.gz QYKJRPBZBQOQDO-HKUYNNGSSA-N 1 0 303.446 3.318 50 0 DGAARO Cc1ccccc1C[N@@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000007420779 431348388 /nfs/dbraw/zinc/34/83/88/431348388.db2.gz BYVLVLIJDFRCME-UHFFFAOYSA-N 1 0 309.365 3.439 50 0 DGAARO CC[C@@H](CO)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000008326399 431392705 /nfs/dbraw/zinc/39/27/05/431392705.db2.gz YQSQFDLICQVDOZ-KRWDZBQOSA-N 1 0 303.377 3.265 50 0 DGAARO C[C@H](O)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008498012 431398125 /nfs/dbraw/zinc/39/81/25/431398125.db2.gz AGLGRNZCZMHSDV-ZDUSSCGKSA-N 1 0 305.805 3.389 50 0 DGAARO CCCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000075111056 431453314 /nfs/dbraw/zinc/45/33/14/431453314.db2.gz IAVAAWXZMAOHAD-UHFFFAOYSA-N 1 0 324.852 3.100 50 0 DGAARO Cc1ccsc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000075108238 431453837 /nfs/dbraw/zinc/45/38/37/431453837.db2.gz VFNYBNRQVVXSNF-UHFFFAOYSA-N 1 0 308.472 3.322 50 0 DGAARO COc1ccc(CC[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000075132307 431454737 /nfs/dbraw/zinc/45/47/37/431454737.db2.gz RHBJAKDDMXRXCB-GOSISDBHSA-N 1 0 313.445 3.425 50 0 DGAARO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2c(C)noc2C)n1 ZINC000075131839 431455157 /nfs/dbraw/zinc/45/51/57/431455157.db2.gz ISLOMAYRQBDUGC-MRXNPFEDSA-N 1 0 302.422 3.159 50 0 DGAARO Cc1ccc2nc3sc(C(=O)NCC[NH+](C)C)cc3cc2c1 ZINC000009528669 431436741 /nfs/dbraw/zinc/43/67/41/431436741.db2.gz SEWBXJDCKPJRHS-UHFFFAOYSA-N 1 0 313.426 3.049 50 0 DGAARO C/C=C(\C)C[NH+]1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000012711449 431522418 /nfs/dbraw/zinc/52/24/18/431522418.db2.gz XYQZICXMVFPIMJ-PJQLUOCWSA-N 1 0 318.465 3.471 50 0 DGAARO O[C@@H](C[C@H]1CCC[N@@H+]1CCN1CCCCC1)c1ccccc1 ZINC000076107481 431527925 /nfs/dbraw/zinc/52/79/25/431527925.db2.gz CAXPNAXPVKEFSH-MOPGFXCFSA-N 1 0 302.462 3.060 50 0 DGAARO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000075552407 431486286 /nfs/dbraw/zinc/48/62/86/431486286.db2.gz TWVPOXRQQWEBAZ-OAHLLOKOSA-N 1 0 309.417 3.159 50 0 DGAARO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)o1 ZINC000012054041 431492180 /nfs/dbraw/zinc/49/21/80/431492180.db2.gz WYSDKQMRMZGEIJ-AWEZNQCLSA-N 1 0 320.433 3.205 50 0 DGAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000012328101 431500278 /nfs/dbraw/zinc/50/02/78/431500278.db2.gz MNAUZBASDLSNEB-PKOBYXMFSA-N 1 0 324.424 3.071 50 0 DGAARO CC(C)C[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000012382293 431502327 /nfs/dbraw/zinc/50/23/27/431502327.db2.gz LJTFSTYLNMUOFE-UHFFFAOYSA-N 1 0 323.400 3.200 50 0 DGAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012387406 431506315 /nfs/dbraw/zinc/50/63/15/431506315.db2.gz WEVGWFWLSRSMSO-CQSZACIVSA-N 1 0 307.821 3.414 50 0 DGAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000012414184 431506884 /nfs/dbraw/zinc/50/68/84/431506884.db2.gz RUMKZIFJOPNRSJ-RZVNPHJZSA-N 1 0 307.478 3.207 50 0 DGAARO CC[NH+](CC)CCSc1nnc2c3cc(F)ccc3[nH]c2n1 ZINC000013628821 431559773 /nfs/dbraw/zinc/55/97/73/431559773.db2.gz NUGSNJPKJCWGKC-UHFFFAOYSA-N 1 0 319.409 3.079 50 0 DGAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000012927111 431537329 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Cc1oc(C)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000025380619 431653686 /nfs/dbraw/zinc/65/36/86/431653686.db2.gz XCMCMHSGOXXFDT-MRXNPFEDSA-N 1 0 300.402 3.238 50 0 DGAARO C[NH+](C)C1(CNC(=O)CCc2cccs2)CCCCCC1 ZINC000025443512 431657542 /nfs/dbraw/zinc/65/75/42/431657542.db2.gz LYSBKROKYRBUQC-UHFFFAOYSA-N 1 0 308.491 3.452 50 0 DGAARO COCCC[C@@H]1CCC[N@H+](Cc2c(OC)cccc2OC)C1 ZINC000077520540 431605138 /nfs/dbraw/zinc/60/51/38/431605138.db2.gz PFDKNDSGYWAPMK-HNNXBMFYSA-N 1 0 307.434 3.342 50 0 DGAARO Cc1ccc(N2CCN(CC[NH+]3CCCCCC3)[C@H](C)C2)cc1 ZINC000019850389 431618905 /nfs/dbraw/zinc/61/89/05/431618905.db2.gz JFCPRFGTZARECG-LJQANCHMSA-N 1 0 315.505 3.382 50 0 DGAARO O[C@@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000020218759 431622702 /nfs/dbraw/zinc/62/27/02/431622702.db2.gz RCZMDFYYEUDPLB-SFHVURJKSA-N 1 0 316.832 3.196 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)CCC2)c1ccsc1 ZINC000025812847 431666310 /nfs/dbraw/zinc/66/63/10/431666310.db2.gz RLWXSBFAWQPISR-CYBMUJFWSA-N 1 0 320.483 3.331 50 0 DGAARO CC(=O)Nc1ccc(CC[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000078411720 431666950 /nfs/dbraw/zinc/66/69/50/431666950.db2.gz ZFIWOYNROBOQDO-UHFFFAOYSA-N 1 0 304.340 3.256 50 0 DGAARO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000026714735 431677513 /nfs/dbraw/zinc/67/75/13/431677513.db2.gz BTBDSUYHJYCNJB-CXAGYDPISA-N 1 0 301.386 3.088 50 0 DGAARO Cc1cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)ccc1F ZINC000078552369 431681835 /nfs/dbraw/zinc/68/18/35/431681835.db2.gz XEPRKJGRFHBHBK-GOSISDBHSA-N 1 0 314.404 3.443 50 0 DGAARO Fc1ccccc1CC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000078648546 431690854 /nfs/dbraw/zinc/69/08/54/431690854.db2.gz FTHINRFWTMPYLJ-IBGZPJMESA-N 1 0 312.432 3.275 50 0 DGAARO C[NH+](C)Cc1cc(CNC(=O)c2cccc(Cl)c2)ccc1F ZINC000078735203 431701210 /nfs/dbraw/zinc/70/12/10/431701210.db2.gz OHRPFNQGJUSCLG-UHFFFAOYSA-N 1 0 320.795 3.471 50 0 DGAARO Cc1ncc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)s1 ZINC000078890841 431709523 /nfs/dbraw/zinc/70/95/23/431709523.db2.gz 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/nfs/dbraw/zinc/76/64/08/431766408.db2.gz GZJCJAUVUZPUSV-UHFFFAOYSA-N 1 0 323.440 3.047 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)c1occc1C)c1ccsc1 ZINC000031992769 431771074 /nfs/dbraw/zinc/77/10/74/431771074.db2.gz XOYRTGRTZXYPJY-AWEZNQCLSA-N 1 0 306.431 3.462 50 0 DGAARO O=C(Nc1cccc(OCc2cccc(F)c2)c1)[C@@H]1CCC[NH2+]1 ZINC000032232116 431774107 /nfs/dbraw/zinc/77/41/07/431774107.db2.gz GTUSBGRJDHDZLL-KRWDZBQOSA-N 1 0 314.360 3.095 50 0 DGAARO C[C@H]([NH3+])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000032199672 431774283 /nfs/dbraw/zinc/77/42/83/431774283.db2.gz SRVCPVNQBXHVIO-NSHDSACASA-N 1 0 304.777 3.205 50 0 DGAARO COc1ccc(Cl)cc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000037996999 431853021 /nfs/dbraw/zinc/85/30/21/431853021.db2.gz FJCCKTYXGKVHRY-AWEZNQCLSA-N 1 0 305.809 3.249 50 0 DGAARO CN(Cc1ccccc1)C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049889 431855722 /nfs/dbraw/zinc/85/57/22/431855722.db2.gz LEEAENAFPPICDG-LJQANCHMSA-N 1 0 308.425 3.264 50 0 DGAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000089657575 431873652 /nfs/dbraw/zinc/87/36/52/431873652.db2.gz LKLWLNLTMKPMEO-CXAGYDPISA-N 1 0 300.402 3.088 50 0 DGAARO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@H]2CC)cc1 ZINC000089284866 431862863 /nfs/dbraw/zinc/86/28/63/431862863.db2.gz JUYGDERNQSLQJV-IEBWSBKVSA-N 1 0 314.473 3.376 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000035823808 431833219 /nfs/dbraw/zinc/83/32/19/431833219.db2.gz NJRGYCDUVGHODP-INIZCTEOSA-N 1 0 304.434 3.218 50 0 DGAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@H](O)COCc1ccco1 ZINC000036099203 431835065 /nfs/dbraw/zinc/83/50/65/431835065.db2.gz ZQSSNJKAOFEWDY-INIZCTEOSA-N 1 0 323.458 3.377 50 0 DGAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccccc1C)CC(C)C ZINC000036099845 431835726 /nfs/dbraw/zinc/83/57/26/431835726.db2.gz QWFRPQOCKFZXJF-SFHVURJKSA-N 1 0 321.461 3.157 50 0 DGAARO CC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097306 431835966 /nfs/dbraw/zinc/83/59/66/431835966.db2.gz NUJXJPDJEDPTCU-INIZCTEOSA-N 1 0 309.450 3.323 50 0 DGAARO Cc1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C2CC2)o1 ZINC000036097765 431836096 /nfs/dbraw/zinc/83/60/96/431836096.db2.gz IQSVGBIGBOEZRH-GOSISDBHSA-N 1 0 315.413 3.130 50 0 DGAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000047323804 431908528 /nfs/dbraw/zinc/90/85/28/431908528.db2.gz QSTDVQVQKNDVQJ-UHFFFAOYSA-N 1 0 324.428 3.176 50 0 DGAARO C[N@H+](Cc1cccc(C(N)=O)c1)CC12CC3CC(CC(C3)C1)C2 ZINC000047461656 431911202 /nfs/dbraw/zinc/91/12/02/431911202.db2.gz CASGGHPHDGNVJI-UHFFFAOYSA-N 1 0 312.457 3.434 50 0 DGAARO O=C(CCC1CCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000047649987 431914116 /nfs/dbraw/zinc/91/41/16/431914116.db2.gz CBWSIAWCKPIUKK-UHFFFAOYSA-N 1 0 322.493 3.108 50 0 DGAARO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COC3(CCCC3)O1)CCCO2 ZINC000095459719 431926277 /nfs/dbraw/zinc/92/62/77/431926277.db2.gz OUSOHJLNENTHGC-WBVHZDCISA-N 1 0 317.429 3.484 50 0 DGAARO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000048251938 431920940 /nfs/dbraw/zinc/92/09/40/431920940.db2.gz PQFMHRZBPCURKU-QGZVFWFLSA-N 1 0 316.470 3.315 50 0 DGAARO COc1ccccc1C[N@H+](CCO)Cc1cccc2cccnc21 ZINC000095349661 431922612 /nfs/dbraw/zinc/92/26/12/431922612.db2.gz CDIXEFFQPAHJAC-UHFFFAOYSA-N 1 0 322.408 3.238 50 0 DGAARO C[C@@H](c1ccon1)N(C)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095362749 431922633 /nfs/dbraw/zinc/92/26/33/431922633.db2.gz NWNFHHQOCNAVHY-AWEZNQCLSA-N 1 0 319.449 3.239 50 0 DGAARO CCOC(=O)c1cccnc1NC[C@@H](c1cccs1)[NH+](C)C ZINC000048314324 431923036 /nfs/dbraw/zinc/92/30/36/431923036.db2.gz UPELBQXSUOIBSU-ZDUSSCGKSA-N 1 0 319.430 3.035 50 0 DGAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000048324368 431923102 /nfs/dbraw/zinc/92/31/02/431923102.db2.gz IUXIBHYGDCVOED-CRAIPNDOSA-N 1 0 316.445 3.091 50 0 DGAARO CC[N@H+](C)C1(CNc2ncnc3nc(C)cc(C)c32)CCCC1 ZINC000095377748 431923902 /nfs/dbraw/zinc/92/39/02/431923902.db2.gz TUYIZEPCXIMGKG-UHFFFAOYSA-N 1 0 313.449 3.318 50 0 DGAARO Cc1cc(C)c2c(ncnc2NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000095380877 431924119 /nfs/dbraw/zinc/92/41/19/431924119.db2.gz VPKIQTAEUAWMBJ-UHFFFAOYSA-N 1 0 313.449 3.363 50 0 DGAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)C1CCCC1 ZINC000089689346 431874468 /nfs/dbraw/zinc/87/44/68/431874468.db2.gz PSKQFQNMUWHNBQ-UHFFFAOYSA-N 1 0 302.462 3.072 50 0 DGAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccc(Cl)cc2[nH]1 ZINC000089780913 431879099 /nfs/dbraw/zinc/87/90/99/431879099.db2.gz KXGIZQGQNHQYEE-XJKSGUPXSA-N 1 0 317.820 3.178 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)o1 ZINC000044949453 431879486 /nfs/dbraw/zinc/87/94/86/431879486.db2.gz OMJQDAMLKOCLMK-CHWSQXEVSA-N 1 0 321.446 3.313 50 0 DGAARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000089894291 431884229 /nfs/dbraw/zinc/88/42/29/431884229.db2.gz SBMJQNFOMMSDDD-TZMCWYRMSA-N 1 0 304.365 3.074 50 0 DGAARO C[C@@H](CCc1ccco1)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000089895798 431884685 /nfs/dbraw/zinc/88/46/85/431884685.db2.gz BFBUXYWNODLOQX-AWEZNQCLSA-N 1 0 316.401 3.088 50 0 DGAARO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(CO)o1 ZINC000089904214 431884953 /nfs/dbraw/zinc/88/49/53/431884953.db2.gz BULIHIRKYJVQPS-NSHDSACASA-N 1 0 324.218 3.255 50 0 DGAARO C[C@@H]1C[C@@H](Nc2ccn(CC[NH+](C)C)n2)c2ccccc2S1 ZINC000089920362 431885318 /nfs/dbraw/zinc/88/53/18/431885318.db2.gz ZCVGCJCQBKGZHR-UKRRQHHQSA-N 1 0 316.474 3.482 50 0 DGAARO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[N@H+](C)C[C@H]1C ZINC000089938893 431886769 /nfs/dbraw/zinc/88/67/69/431886769.db2.gz FWOZSCZVIKOMRB-NEPJUHHUSA-N 1 0 320.824 3.087 50 0 DGAARO c1[nH]nc2c1C[C@@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000090456008 431892133 /nfs/dbraw/zinc/89/21/33/431892133.db2.gz JPMPUHWZCBZPEI-WMLDXEAASA-N 1 0 309.413 3.303 50 0 DGAARO CC[C@@H](C(=O)N1CCCSC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000090699973 431895352 /nfs/dbraw/zinc/89/53/52/431895352.db2.gz HDTOKXPIDQQWLZ-DLBZAZTESA-N 1 0 320.502 3.076 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H]1c1cccs1 ZINC000047106100 431906296 /nfs/dbraw/zinc/90/62/96/431906296.db2.gz WHHMVBNUQMTYDQ-RBSFLKMASA-N 1 0 319.474 3.221 50 0 DGAARO Cc1c2cc(F)ccc2[nH]c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097492475 431971070 /nfs/dbraw/zinc/97/10/70/431971070.db2.gz ZZHUFWUKYYSCIQ-SFHVURJKSA-N 1 0 301.409 3.191 50 0 DGAARO c1cc(OC2CCCC2)ccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000097635053 431972698 /nfs/dbraw/zinc/97/26/98/431972698.db2.gz RACKJYYIWMGTHU-IRXDYDNUSA-N 1 0 300.446 3.192 50 0 DGAARO C[NH+](C)CCN(Cc1ccsc1)Cc1nc2ccccc2[nH]1 ZINC000055153326 431977116 /nfs/dbraw/zinc/97/71/16/431977116.db2.gz IGRVUIVCTPGGBV-UHFFFAOYSA-N 1 0 314.458 3.188 50 0 DGAARO CCCn1ncc(CN(CC[NH+](C)C)Cc2ccsc2)c1C ZINC000055118813 431977161 /nfs/dbraw/zinc/97/71/61/431977161.db2.gz ISNFGBJZYRNXJR-UHFFFAOYSA-N 1 0 320.506 3.227 50 0 DGAARO O=C(/C=C\c1ccccn1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000055308153 431979475 /nfs/dbraw/zinc/97/94/75/431979475.db2.gz IUYSHACEGVTKML-KTKRTIGZSA-N 1 0 307.397 3.329 50 0 DGAARO Cc1noc(C)c1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000095951841 431927993 /nfs/dbraw/zinc/92/79/93/431927993.db2.gz RTTMAMZABWEIDJ-UHFFFAOYSA-N 1 0 303.381 3.143 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000095955516 431928451 /nfs/dbraw/zinc/92/84/51/431928451.db2.gz UPWDLKZVPMLKNU-HNNXBMFYSA-N 1 0 321.465 3.347 50 0 DGAARO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000095956254 431928491 /nfs/dbraw/zinc/92/84/91/431928491.db2.gz PMBZRZVGYSKNFS-AWEZNQCLSA-N 1 0 306.768 3.335 50 0 DGAARO CC(C)CSC[C@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000095968084 431928892 /nfs/dbraw/zinc/92/88/92/431928892.db2.gz XPVHXHBCNCXZJV-HOCLYGCPSA-N 1 0 320.502 3.439 50 0 DGAARO Cc1ncc([C@H](C)[NH2+][C@@H](C)COc2ccc(F)cc2)c(C)n1 ZINC000095967389 431929463 /nfs/dbraw/zinc/92/94/63/431929463.db2.gz NWGROKZJMITEEY-RYUDHWBXSA-N 1 0 303.381 3.351 50 0 DGAARO CCc1ccsc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000095969175 431929694 /nfs/dbraw/zinc/92/96/94/431929694.db2.gz 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/nfs/dbraw/zinc/93/08/03/431930803.db2.gz POQKKXHVMWEZGH-ZYHUDNBSSA-N 1 0 321.314 3.128 50 0 DGAARO Fc1cc(N2CC[C@@H]([NH2+]Cc3cncs3)C2)ccc1Cl ZINC000095978251 431931050 /nfs/dbraw/zinc/93/10/50/431931050.db2.gz HPCRFJDHUIEGRP-SNVBAGLBSA-N 1 0 311.813 3.304 50 0 DGAARO CCc1nn(C)cc1C[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000095986662 431931594 /nfs/dbraw/zinc/93/15/94/431931594.db2.gz AEXPMSPHKBIKAL-INIZCTEOSA-N 1 0 323.444 3.169 50 0 DGAARO CC1(c2ccccc2)CCC([NH2+]C[C@]2(CCO)CCOC2)CC1 ZINC000095982194 431932171 /nfs/dbraw/zinc/93/21/71/431932171.db2.gz TUTMDZRAIGNLQR-MHJFOBGBSA-N 1 0 317.473 3.266 50 0 DGAARO Fc1ccc(C2([NH2+]C3CCSCC3)CCOCC2)c(F)c1 ZINC000095988536 431932484 /nfs/dbraw/zinc/93/24/84/431932484.db2.gz WWKCVDPRGMAHDS-UHFFFAOYSA-N 1 0 313.413 3.456 50 0 DGAARO CCS[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000095990129 431932676 /nfs/dbraw/zinc/93/26/76/431932676.db2.gz RQWMXCXPHCRTDA-LSDHHAIUSA-N 1 0 302.447 3.236 50 0 DGAARO O=C(/C=C\c1ccsc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000096035201 431934217 /nfs/dbraw/zinc/93/42/17/431934217.db2.gz WGVKFXLYFVSJQB-YIEVGGLXSA-N 1 0 304.459 3.096 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000096125660 431940127 /nfs/dbraw/zinc/94/01/27/431940127.db2.gz XCGFREFTGLVGFE-UHFFFAOYSA-N 1 0 302.418 3.288 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)/C=C\c2csc(C)n2)CC1 ZINC000096400804 431945627 /nfs/dbraw/zinc/94/56/27/431945627.db2.gz PTQCLDZOULQTAU-SREVYHEPSA-N 1 0 321.490 3.045 50 0 DGAARO COc1cccc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)c1 ZINC000096424619 431947159 /nfs/dbraw/zinc/94/71/59/431947159.db2.gz YFRSHYZOFRBFGA-IBGZPJMESA-N 1 0 312.413 3.271 50 0 DGAARO CC[N@H+](Cc1ccc(C(=O)NC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000096455325 431951309 /nfs/dbraw/zinc/95/13/09/431951309.db2.gz FMCKUNBRQUSXCU-AWEZNQCLSA-N 1 0 312.413 3.335 50 0 DGAARO CN(C(=O)CCCOc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000051468819 431951998 /nfs/dbraw/zinc/95/19/98/431951998.db2.gz ACKLONZZJFAONF-UHFFFAOYSA-N 1 0 324.852 3.052 50 0 DGAARO COC(C)(C)C[C@@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000096478577 431952843 /nfs/dbraw/zinc/95/28/43/431952843.db2.gz PNHDSVUSAKCWNG-GFCCVEGCSA-N 1 0 311.495 3.214 50 0 DGAARO C[C@@H](Cc1nc2ccccc2s1)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000096477871 431952951 /nfs/dbraw/zinc/95/29/51/431952951.db2.gz FKYSUXFBXZWCKH-QKVFXAPYSA-N 1 0 324.515 3.364 50 0 DGAARO Cc1nc(SCC[C@@H]2CCC[N@H+]2C)n(C[C@@H]2CCCO2)c1C ZINC000096485294 431953683 /nfs/dbraw/zinc/95/36/83/431953683.db2.gz NDZXYZJTJGUAGG-HOTGVXAUSA-N 1 0 323.506 3.255 50 0 DGAARO C[C@@H](CCn1cncn1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000096484925 431953944 /nfs/dbraw/zinc/95/39/44/431953944.db2.gz AVNJUAXBGLPBLF-JTQLQIEISA-N 1 0 316.302 3.004 50 0 DGAARO C[C@H](CO)C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1 ZINC000055325936 431980370 /nfs/dbraw/zinc/98/03/70/431980370.db2.gz TWHSAVWSBMFRDT-HNNXBMFYSA-N 1 0 315.461 3.338 50 0 DGAARO Cn1cc(C[NH+]2CCC(n3cccn3)CC2)c(-c2ccccc2)n1 ZINC000097033876 431956566 /nfs/dbraw/zinc/95/65/66/431956566.db2.gz 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CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000097233921 431966064 /nfs/dbraw/zinc/96/60/64/431966064.db2.gz WXHQVTDONXKUOQ-ZIAGYGMSSA-N 1 0 323.412 3.271 50 0 DGAARO Cc1ncsc1C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000054119375 431967556 /nfs/dbraw/zinc/96/75/56/431967556.db2.gz LQLQTTFWFBLPQH-UHFFFAOYSA-N 1 0 317.458 3.222 50 0 DGAARO CC[C@H](O)Cn1nc(C)nc1C1([NH+]2CCCCC2)CCCCC1 ZINC000095497472 281002704 /nfs/dbraw/zinc/00/27/04/281002704.db2.gz UJNBRHFKAVJKTK-INIZCTEOSA-N 1 0 320.481 3.003 50 0 DGAARO Cc1cccnc1NCC[NH2+]Cc1c(C)cc(C)c(CO)c1C ZINC000055383193 431981229 /nfs/dbraw/zinc/98/12/29/431981229.db2.gz IDGLVWKPPSJAFI-UHFFFAOYSA-N 1 0 313.445 3.009 50 0 DGAARO Cc1ccc2c(C[N@H+]3CCSCC[C@H]3C)cc(=O)oc2c1 ZINC000170616729 281045727 /nfs/dbraw/zinc/04/57/27/281045727.db2.gz RIXXYMIYFWZIFO-CYBMUJFWSA-N 1 0 303.427 3.429 50 0 DGAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1COC3(CCCC3)O1)CCCO2 ZINC000095459720 281120496 /nfs/dbraw/zinc/12/04/96/281120496.db2.gz OUSOHJLNENTHGC-DOTOQJQBSA-N 1 0 317.429 3.484 50 0 DGAARO Cc1cccc(C(C)(C)C)c1OCCC[NH+]1CCN(C)CC1 ZINC000020118513 281197394 /nfs/dbraw/zinc/19/73/94/281197394.db2.gz QMQMCCQWPPWHRN-UHFFFAOYSA-N 1 0 304.478 3.309 50 0 DGAARO Cc1ccccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000057522495 431991911 /nfs/dbraw/zinc/99/19/11/431991911.db2.gz KEUABWDTFOKRRI-UHFFFAOYSA-N 1 0 324.453 3.322 50 0 DGAARO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]1c1nncn1C ZINC000248384757 432284169 /nfs/dbraw/zinc/28/41/69/432284169.db2.gz FYIHINSFRYPNKM-BBRMVZONSA-N 1 0 302.397 3.112 50 0 DGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102929280 432000544 /nfs/dbraw/zinc/00/05/44/432000544.db2.gz QIZMTHJJERCFTM-INIZCTEOSA-N 1 0 313.401 3.103 50 0 DGAARO CC/C=C(\C)C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000102941877 432000678 /nfs/dbraw/zinc/00/06/78/432000678.db2.gz YXIXLSKKMJWDJJ-GIDUJCDVSA-N 1 0 316.445 3.132 50 0 DGAARO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCc2cccnc2)cc1 ZINC000192023448 432326353 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CC(C)(C)SCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000252478504 432378750 /nfs/dbraw/zinc/37/87/50/432378750.db2.gz AOGJBFMMWKUZDP-AWEZNQCLSA-N 1 0 314.539 3.392 50 0 DGAARO COc1ccc2c(c1OC)CC[C@@H]2[NH2+]CCN1CCC(C)CC1 ZINC000252490812 432379323 /nfs/dbraw/zinc/37/93/23/432379323.db2.gz LBSVDZOGZCREDG-KRWDZBQOSA-N 1 0 318.461 3.013 50 0 DGAARO C[NH+](C)C[C@H](NC(=O)NCc1ccoc1)c1ccc(Cl)cc1 ZINC000252494222 432379625 /nfs/dbraw/zinc/37/96/25/432379625.db2.gz NOSNLCQRJPPGCO-HNNXBMFYSA-N 1 0 321.808 3.035 50 0 DGAARO CCCOc1ccc(CN[C@H](C)c2cc(C)n(C)n2)cc1OC ZINC000252489898 432379736 /nfs/dbraw/zinc/37/97/36/432379736.db2.gz KEOJXUNNBMIHGV-CQSZACIVSA-N 1 0 317.433 3.377 50 0 DGAARO c1coc(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000252508789 432380895 /nfs/dbraw/zinc/38/08/95/432380895.db2.gz XTJRHRBIIBHDOZ-HNNXBMFYSA-N 1 0 304.415 3.058 50 0 DGAARO Fc1ccccc1C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000252518053 432382420 /nfs/dbraw/zinc/38/24/20/432382420.db2.gz YOBONGPSEQJALX-IAOVAPTHSA-N 1 0 301.405 3.405 50 0 DGAARO CCOC(=O)[C@@H]1CCC[C@H](C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000252515263 432383322 /nfs/dbraw/zinc/38/33/22/432383322.db2.gz IBVPUHKBDHVHMG-XHSDSOJGSA-N 1 0 319.449 3.306 50 0 DGAARO O=C(CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1F ZINC000192634007 432394936 /nfs/dbraw/zinc/39/49/36/432394936.db2.gz PSASTIWJLBMIDV-LLVKDONJSA-N 1 0 318.314 3.429 50 0 DGAARO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1ccccc1Cl ZINC000249745675 432356183 /nfs/dbraw/zinc/35/61/83/432356183.db2.gz ZJEBSIOEDOTRER-HZPDHXFCSA-N 1 0 322.836 3.312 50 0 DGAARO Cc1cnc([C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)s1 ZINC000089702367 281635275 /nfs/dbraw/zinc/63/52/75/281635275.db2.gz IKSKXXFNHVIDTF-HIFRSBDPSA-N 1 0 321.490 3.283 50 0 DGAARO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000153782118 432443769 /nfs/dbraw/zinc/44/37/69/432443769.db2.gz DPXOKSOCSWNJKJ-GUYCJALGSA-N 1 0 301.434 3.331 50 0 DGAARO CCC(CC)(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261784822 432451173 /nfs/dbraw/zinc/45/11/73/432451173.db2.gz GGEVMFHXUCPNCS-MRXNPFEDSA-N 1 0 302.462 3.330 50 0 DGAARO C[C@@](O)(C[NH2+]Cc1sccc1Br)c1ccco1 ZINC000185039034 432459722 /nfs/dbraw/zinc/45/97/22/432459722.db2.gz UUZPHTMHHUGDBK-GFCCVEGCSA-N 1 0 316.220 3.101 50 0 DGAARO Cc1ccc(C[N@@H+]2CC[C@H](c3noc(-c4ccccn4)n3)C2)o1 ZINC000257175375 432416325 /nfs/dbraw/zinc/41/63/25/432416325.db2.gz OTWCOBSGRWSGKP-ZDUSSCGKSA-N 1 0 310.357 3.023 50 0 DGAARO C(C[C@H]1CCC[N@@H+](C2CCC2)C1)c1nnc(C2CCOCC2)o1 ZINC000257174332 432416447 /nfs/dbraw/zinc/41/64/47/432416447.db2.gz FQZMSIPVMSOIBC-CQSZACIVSA-N 1 0 319.449 3.161 50 0 DGAARO Cc1csc2c1ncnc2N1CCC[C@H]1C[NH+]1CCCC1 ZINC000192794542 281744868 /nfs/dbraw/zinc/74/48/68/281744868.db2.gz GGOMXJRNNLILKP-ZDUSSCGKSA-N 1 0 302.447 3.064 50 0 DGAARO C[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1cccc(Cl)c1 ZINC000195573104 432627959 /nfs/dbraw/zinc/62/79/59/432627959.db2.gz DATPRJIPIDVAQW-UKPHBRMFSA-N 1 0 320.864 3.434 50 0 DGAARO c1ccc(COc2ccc(C[NH+]3CCSCC3)cc2)nc1 ZINC000215482204 432642444 /nfs/dbraw/zinc/64/24/44/432642444.db2.gz APZFIZWEJOVVQS-UHFFFAOYSA-N 1 0 300.427 3.209 50 0 DGAARO CC[C@@H](C)Sc1ncc(C[N@H+](C)CCc2ccncc2)cn1 ZINC000215489120 432643827 /nfs/dbraw/zinc/64/38/27/432643827.db2.gz MUQTXZGBPFJANQ-CQSZACIVSA-N 1 0 316.474 3.437 50 0 DGAARO c1cc([C@@H]2CCCCO2)sc1CN1CCc2n[nH]cc2C1 ZINC000216121710 432647310 /nfs/dbraw/zinc/64/73/10/432647310.db2.gz WXFWWGGPOGDIAB-HNNXBMFYSA-N 1 0 303.431 3.271 50 0 DGAARO S=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222134228 432669095 /nfs/dbraw/zinc/66/90/95/432669095.db2.gz ZFWGTHPTTWUWRH-SJORKVTESA-N 1 0 315.486 3.089 50 0 DGAARO Cc1c(F)cccc1C[N@H+](C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000216444930 432651576 /nfs/dbraw/zinc/65/15/76/432651576.db2.gz MTJNDGCKUIOEEG-AWEZNQCLSA-N 1 0 306.425 3.213 50 0 DGAARO COc1ccc2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)sc2c1 ZINC000187306766 432656645 /nfs/dbraw/zinc/65/66/45/432656645.db2.gz KUBAYLRLJNMNCM-CQSZACIVSA-N 1 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KNWMAPIIJQGHQR-ZIAGYGMSSA-N 1 0 317.351 3.009 50 0 DGAARO O[C@H](C[N@@H+](Cc1ccccc1)C[C@@H]1CCOC1)c1cccs1 ZINC000221855211 432670446 /nfs/dbraw/zinc/67/04/46/432670446.db2.gz BYZJGJKXEWJCCS-DLBZAZTESA-N 1 0 317.454 3.320 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000225454875 432692000 /nfs/dbraw/zinc/69/20/00/432692000.db2.gz TUDOQVCESJFDJO-UWVGGRQHSA-N 1 0 318.314 3.044 50 0 DGAARO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)C[C@@H]1CCCCO1 ZINC000244633717 432822112 /nfs/dbraw/zinc/82/21/12/432822112.db2.gz GIJKCDKWKHLBDS-SFHVURJKSA-N 1 0 316.445 3.005 50 0 DGAARO Cc1cc(C)c(NC(=O)CC[N@@H+](C)CC2(C)COC2)c(Cl)c1 ZINC000244778646 432823969 /nfs/dbraw/zinc/82/39/69/432823969.db2.gz PUFQZRUVWAGSNM-UHFFFAOYSA-N 1 0 324.852 3.254 50 0 DGAARO O=C(c1ccccc1)[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000244873491 432824052 /nfs/dbraw/zinc/82/40/52/432824052.db2.gz WRFSXKDPDHEMFL-HNNXBMFYSA-N 1 0 317.820 3.131 50 0 DGAARO COc1ccccc1OCCCN1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000244794658 432824109 /nfs/dbraw/zinc/82/41/09/432824109.db2.gz QRBWCBLTDMYPDN-MRXNPFEDSA-N 1 0 318.461 3.023 50 0 DGAARO c1cncc(CCCN2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000244795990 432824383 /nfs/dbraw/zinc/82/43/83/432824383.db2.gz RQVYEQWSSQUUJR-UHFFFAOYSA-N 1 0 301.478 3.355 50 0 DGAARO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)CS1 ZINC000277271322 432832394 /nfs/dbraw/zinc/83/23/94/432832394.db2.gz PTISASROJDMFQG-HIFRSBDPSA-N 1 0 316.474 3.277 50 0 DGAARO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)n1 ZINC000189720672 432813366 /nfs/dbraw/zinc/81/33/66/432813366.db2.gz DQROBIMQYHWRHP-QZTJIDSGSA-N 1 0 324.428 3.265 50 0 DGAARO CC[C@H](CSC)[N@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC000289242872 432937334 /nfs/dbraw/zinc/93/73/34/432937334.db2.gz ABWIAORJFCRWQI-CYBMUJFWSA-N 1 0 313.463 3.286 50 0 DGAARO CC(=O)NC1CCC([NH2+]Cc2cc(F)c(Cl)cc2F)CC1 ZINC000278905390 432915123 /nfs/dbraw/zinc/91/51/23/432915123.db2.gz VJMHAVFQYCPXPW-UHFFFAOYSA-N 1 0 316.779 3.155 50 0 DGAARO Cc1ccsc1-c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)C2)c1 ZINC000299777448 433382251 /nfs/dbraw/zinc/38/22/51/433382251.db2.gz JXZNIGIHDWUGDD-INIZCTEOSA-N 1 0 314.454 3.500 50 0 DGAARO CCN(CC[NH+](C)C)C(=O)c1cccc(-c2ncccc2C)c1 ZINC000299794758 433384726 /nfs/dbraw/zinc/38/47/26/433384726.db2.gz IXWMAPNQBNFKMH-UHFFFAOYSA-N 1 0 311.429 3.081 50 0 DGAARO CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000299794171 433384921 /nfs/dbraw/zinc/38/49/21/433384921.db2.gz JIZAFXCZIFZUAD-SNVBAGLBSA-N 1 0 302.205 3.161 50 0 DGAARO CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000299794163 433385879 /nfs/dbraw/zinc/38/58/79/433385879.db2.gz JIZAFXCZIFZUAD-JTQLQIEISA-N 1 0 302.205 3.161 50 0 DGAARO Cc1ccc2c(cccc2NC(=O)NCC[NH+]2CCCCC2)n1 ZINC000299796244 433387185 /nfs/dbraw/zinc/38/71/85/433387185.db2.gz MMLGWFLMSFDPLD-UHFFFAOYSA-N 1 0 312.417 3.151 50 0 DGAARO Cc1ccccc1CNC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000426479129 433513236 /nfs/dbraw/zinc/51/32/36/433513236.db2.gz SGEJTAGBYOXPMA-SFHVURJKSA-N 1 0 315.461 3.155 50 0 DGAARO C[C@H](CCC(=O)N(Cc1cccc(O)c1)C1CC1)[NH+]1CCCC1 ZINC000426489790 433514022 /nfs/dbraw/zinc/51/40/22/433514022.db2.gz TXFMMSPVEGLAHG-OAHLLOKOSA-N 1 0 316.445 3.148 50 0 DGAARO C[C@@H]1C[NH2+]CCN1Cc1ccc(OCCc2ccccc2)cc1 ZINC000426545102 433528839 /nfs/dbraw/zinc/52/88/39/433528839.db2.gz QPTKCWRHAVUDHR-QGZVFWFLSA-N 1 0 310.441 3.102 50 0 DGAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](C/C=C/c3ccc(F)cc3)[C@H]2C1 ZINC000426651984 433551593 /nfs/dbraw/zinc/55/15/93/433551593.db2.gz KJHYNWRURFDZAC-IQWKLILDSA-N 1 0 319.420 3.497 50 0 DGAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)CC2=CCCC2)C1 ZINC000426705542 433568994 /nfs/dbraw/zinc/56/89/94/433568994.db2.gz BYSYHGARKRBAEZ-SFHVURJKSA-N 1 0 312.457 3.401 50 0 DGAARO Cc1cccc(Cl)c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000448940388 433622306 /nfs/dbraw/zinc/62/23/06/433622306.db2.gz ZPYKMTWYMMVHBZ-CQSZACIVSA-N 1 0 306.837 3.349 50 0 DGAARO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414691434 433790638 /nfs/dbraw/zinc/79/06/38/433790638.db2.gz JFCODBJMPUZVHT-QMMMGPOBSA-N 1 0 321.730 3.171 50 0 DGAARO CC[N@H+](Cc1cnn(C)c1C(F)(F)F)[C@@H]1CCOC(C)(C)C1 ZINC000351926221 433795005 /nfs/dbraw/zinc/79/50/05/433795005.db2.gz NONXVJGFLIHSOW-GFCCVEGCSA-N 1 0 319.371 3.218 50 0 DGAARO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CC1(O)CCC1 ZINC000353486337 434168287 /nfs/dbraw/zinc/16/82/87/434168287.db2.gz XMMPXFJSWVCHDG-LLVKDONJSA-N 1 0 321.808 3.298 50 0 DGAARO COc1cc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c(F)cn1 ZINC000287631374 434415068 /nfs/dbraw/zinc/41/50/68/434415068.db2.gz KJZYSEVHGCHHCP-DZGCQCFKSA-N 1 0 318.392 3.046 50 0 DGAARO Clc1cnn(CC[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000459296905 434562239 /nfs/dbraw/zinc/56/22/39/434562239.db2.gz HLNCUSYRNYPOII-QGZVFWFLSA-N 1 0 319.836 3.218 50 0 DGAARO CC1(C)CN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423906260 434574078 /nfs/dbraw/zinc/57/40/78/434574078.db2.gz PWQLLORXHNNYNL-QGZVFWFLSA-N 1 0 300.446 3.028 50 0 DGAARO C=Cn1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cn1 ZINC000408514786 434582700 /nfs/dbraw/zinc/58/27/00/434582700.db2.gz QUNIIOGXMUKNJC-UHFFFAOYSA-N 1 0 317.820 3.433 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCCO1 ZINC000585123280 435292353 /nfs/dbraw/zinc/29/23/53/435292353.db2.gz VLVBGPLADPKEBP-WCQYABFASA-N 1 0 318.339 3.070 50 0 DGAARO C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1cscn1 ZINC000652316482 435948536 /nfs/dbraw/zinc/94/85/36/435948536.db2.gz YJPGAJXYIFKZIO-VIFPVBQESA-N 1 0 312.341 3.358 50 0 DGAARO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000648057136 436199125 /nfs/dbraw/zinc/19/91/25/436199125.db2.gz HNKIHQOZEJVFCY-YTQUADARSA-N 1 0 317.477 3.446 50 0 DGAARO C[C@H]([NH2+]Cc1noc(-c2ccccc2F)n1)[C@@H]1C[C@H]1C1CC1 ZINC000529554505 313226643 /nfs/dbraw/zinc/22/66/43/313226643.db2.gz CBAHNDZVBWEMBI-BPNCWPANSA-N 1 0 301.365 3.400 50 0 DGAARO Cc1nc(C)c(CC[NH2+][C@H](C)c2cn3ccccc3n2)s1 ZINC000548056475 314416565 /nfs/dbraw/zinc/41/65/65/314416565.db2.gz 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/nfs/dbraw/zinc/64/41/56/545644156.db2.gz BNOTXMVTWAVUAA-UHFFFAOYSA-N 1 0 310.397 3.082 50 0 DGAARO Cc1nc(CN2Cc3ccccc3[C@@H](n3cccn3)C2)cs1 ZINC000076731829 545738293 /nfs/dbraw/zinc/73/82/93/545738293.db2.gz CYFNILGRURRNQQ-KRWDZBQOSA-N 1 0 310.426 3.253 50 0 DGAARO CCc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000083825714 545781381 /nfs/dbraw/zinc/78/13/81/545781381.db2.gz WQAWLKQKDFBIKK-UHFFFAOYSA-N 1 0 303.450 3.491 50 0 DGAARO Cc1nc(CN(Cc2ccccc2F)[C@H]2CC[N@@H+](C)C2)oc1C ZINC000084061358 545782503 /nfs/dbraw/zinc/78/25/03/545782503.db2.gz XWDKCBCXRBQBKE-INIZCTEOSA-N 1 0 317.408 3.137 50 0 DGAARO Cc1cc([C@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)[nH]n1 ZINC000084111233 545785160 /nfs/dbraw/zinc/78/51/60/545785160.db2.gz NJONDGNPGHMRIP-KRWDZBQOSA-N 1 0 311.429 3.075 50 0 DGAARO CC1(c2ccccc2)CCC([NH2+]C2(CCO)CCOCC2)CC1 ZINC000092176804 545843480 /nfs/dbraw/zinc/84/34/80/545843480.db2.gz QGLJGUVZISBTGD-UHFFFAOYSA-N 1 0 317.473 3.408 50 0 DGAARO COC1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CCOCC1 ZINC000123188500 545904195 /nfs/dbraw/zinc/90/41/95/545904195.db2.gz MSCLGQOIEYNSEO-UHFFFAOYSA-N 1 0 319.445 3.293 50 0 DGAARO CN(Cc1cc2cc(F)ccc2n1C)C[C@]1(C)CC[N@H+](C)C1 ZINC000215007158 546260062 /nfs/dbraw/zinc/26/00/62/546260062.db2.gz YJJIAAOOUHWFLV-GOSISDBHSA-N 1 0 303.425 3.091 50 0 DGAARO c1cnn(Cc2ccc(C[NH+]3CCC(c4ncc[nH]4)CC3)cc2)c1 ZINC000215033519 546260193 /nfs/dbraw/zinc/26/01/93/546260193.db2.gz ZUBHGTAGNMAOOF-UHFFFAOYSA-N 1 0 321.428 3.034 50 0 DGAARO Cc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)on1 ZINC000215059728 546260966 /nfs/dbraw/zinc/26/09/66/546260966.db2.gz LEXZBJMOIMAEBV-CQSZACIVSA-N 1 0 310.401 3.249 50 0 DGAARO CN(CCC1(O)CCCC1)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000240499926 546294584 /nfs/dbraw/zinc/29/45/84/546294584.db2.gz NOVWHIPYKFJINX-LJQANCHMSA-N 1 0 316.489 3.278 50 0 DGAARO CCCOC[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000670438155 547753336 /nfs/dbraw/zinc/75/33/36/547753336.db2.gz IDRHOWQVFURCCB-CYBMUJFWSA-N 1 0 302.340 3.349 50 0 DGAARO c1nnc(C2CC[NH+](Cc3cc(C4CCCCC4)no3)CC2)[nH]1 ZINC000670444729 547754487 /nfs/dbraw/zinc/75/44/87/547754487.db2.gz XGLHDVUWJUMFAP-UHFFFAOYSA-N 1 0 315.421 3.220 50 0 DGAARO Cc1csc([C@H](C)C[NH2+]C2CCN(Cc3ccco3)CC2)n1 ZINC000670449546 547755836 /nfs/dbraw/zinc/75/58/36/547755836.db2.gz YNZNDEJRJOSGNL-CYBMUJFWSA-N 1 0 319.474 3.402 50 0 DGAARO CC(C)c1csc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)n1 ZINC000670460391 547758266 /nfs/dbraw/zinc/75/82/66/547758266.db2.gz JAWGYHWXHBIOBM-GFCCVEGCSA-N 1 0 318.446 3.142 50 0 DGAARO COc1cc(SC)c(OC)cc1C[N@H+](C)C[C@H]1CCCO1 ZINC000670462525 547758320 /nfs/dbraw/zinc/75/83/20/547758320.db2.gz QMRGLEURYOIQAH-CYBMUJFWSA-N 1 0 311.447 3.037 50 0 DGAARO CC(C)(C)OC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000675050876 548148006 /nfs/dbraw/zinc/14/80/06/548148006.db2.gz XAHPMABSQFIUEJ-AWEZNQCLSA-N 1 0 318.417 3.157 50 0 DGAARO CSCC[C@H]([NH3+])C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000299756936 563804150 /nfs/dbraw/zinc/80/41/50/563804150.db2.gz DXMOTYJLBFWLLQ-INIZCTEOSA-N 1 0 320.502 3.085 50 0 DGAARO O=C(c1cccc(C[NH+]2CCCCCC2)c1)N1CCSCC1 ZINC000299758011 563804836 /nfs/dbraw/zinc/80/48/36/563804836.db2.gz JTHDCQLUHUQXEF-UHFFFAOYSA-N 1 0 318.486 3.252 50 0 DGAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)C1 ZINC000299749779 563938886 /nfs/dbraw/zinc/93/88/86/563938886.db2.gz LMEQHTUHDCQGFO-KURKYZTESA-N 1 0 300.446 3.128 50 0 DGAARO C[C@H](C(=O)Nc1ccnn1C1CCCC1)[NH+]1CCCCCC1 ZINC000733911060 574642978 /nfs/dbraw/zinc/64/29/78/574642978.db2.gz VNIGILROGGGITQ-CQSZACIVSA-N 1 0 304.438 3.201 50 0 DGAARO CC1(C)C[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CO1 ZINC000585087346 574817734 /nfs/dbraw/zinc/81/77/34/574817734.db2.gz FJDARJQPMKEOPC-QGZVFWFLSA-N 1 0 312.413 3.318 50 0 DGAARO CC(C)(C)c1cnc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)s1 ZINC000239722498 575999327 /nfs/dbraw/zinc/99/93/27/575999327.db2.gz CCYPXAQYJLRCLF-BBRMVZONSA-N 1 0 302.443 3.189 50 0 DGAARO [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000888097901 618625562 /nfs/dbraw/zinc/62/55/62/618625562.db2.gz SGFYXVYQUFAHLZ-ZTFGCOKTSA-N 1 0 324.399 3.408 50 0 DGAARO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000118533317 621537088 /nfs/dbraw/zinc/53/70/88/621537088.db2.gz YQMJRJFNTXEFIP-SFHVURJKSA-N 1 0 304.434 3.423 50 0 DGAARO Cc1nc2c(o1)CCC[C@H]2[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000863983921 621724915 /nfs/dbraw/zinc/72/49/15/621724915.db2.gz NPJCYRRIXIKTBD-CABCVRRESA-N 1 0 315.417 3.380 50 0 DGAARO CC(C)[C@@H]([NH2+]C1CC(Sc2ccccc2)C1)c1nncn1C ZINC000864087478 621735692 /nfs/dbraw/zinc/73/56/92/621735692.db2.gz PZCWIPYAZSTVOV-AVVWSFFYSA-N 1 0 316.474 3.425 50 0 DGAARO CCCOc1c(C[N@H+](C)C[C@@H](O)C2CC2)cccc1OCC ZINC000809751740 626946521 /nfs/dbraw/zinc/94/65/21/626946521.db2.gz JOCKLKUZBJTRAB-MRXNPFEDSA-N 1 0 307.434 3.077 50 0 DGAARO CCC[C@@]1(CO)CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000809790259 626954568 /nfs/dbraw/zinc/95/45/68/626954568.db2.gz FREGKQKJGJWQOM-LJQANCHMSA-N 1 0 303.446 3.385 50 0 DGAARO 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PVKGEUKGVIFBFQ-CRAIPNDOSA-N 1 0 316.832 3.079 50 0 DGAARO Cc1cc(F)ccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529152440 1187536887 /nfs/dbraw/zinc/53/68/87/1187536887.db2.gz LJUGJKFEYFWQQR-MDBPOYHNSA-N 1 0 318.436 3.325 50 0 DGAARO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(CCOC)CC1 ZINC001529181398 1187539113 /nfs/dbraw/zinc/53/91/13/1187539113.db2.gz NPYNBFRLROUBIE-SFHVURJKSA-N 1 0 318.461 3.461 50 0 DGAARO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(CCOC)CC1 ZINC001529181397 1187539519 /nfs/dbraw/zinc/53/95/19/1187539519.db2.gz NPYNBFRLROUBIE-GOSISDBHSA-N 1 0 318.461 3.461 50 0 DGAARO CC(C)=CCC[N@H+]1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1 ZINC001704299959 1202519507 /nfs/dbraw/zinc/51/95/07/1202519507.db2.gz SLRYHQYRVMMGNX-YLJYHZDGSA-N 1 0 310.441 3.426 50 0 DGAARO Cc1ncc(Cl)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001704328699 1202521136 /nfs/dbraw/zinc/52/11/36/1202521136.db2.gz NHHVRMJDDFJBHB-AWEZNQCLSA-N 1 0 302.809 3.125 50 0 DGAARO Cc1cccc(OCC[N@@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)c1C ZINC001704346976 1202522139 /nfs/dbraw/zinc/52/21/39/1202522139.db2.gz DRAVWUBMISWLPX-USTZCAOPSA-N 1 0 303.446 3.164 50 0 DGAARO COc1cccc(C[N@H+]2CCC[C@@]3(CCC[C@H]3OC)C2)c1OC ZINC001704344951 1202522294 /nfs/dbraw/zinc/52/22/94/1202522294.db2.gz QZEFQGPUHPANQE-MJGOQNOKSA-N 1 0 319.445 3.485 50 0 DGAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc[nH]3)C1)CCC2 ZINC001704353062 1202522486 /nfs/dbraw/zinc/52/24/86/1202522486.db2.gz PHQMVUKNGMWRDZ-MRXNPFEDSA-N 1 0 311.429 3.287 50 0 DGAARO CC[N@@H+]1CCCN(C(=O)CC2CCCCC2)CC12CCOCC2 ZINC000581801876 1083034771 /nfs/dbraw/zinc/03/47/71/1083034771.db2.gz SQEWSGWITOPELZ-UHFFFAOYSA-N 1 0 322.493 3.060 50 0 DGAARO c1coc(-c2n[nH]c(CC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)c1 ZINC000820414722 1091625413 /nfs/dbraw/zinc/62/54/13/1091625413.db2.gz SXULIHYPZYUDGP-UONOGXRCSA-N 1 0 300.406 3.262 50 0 DGAARO CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1F)[N@H+](C)CC ZINC000822555830 1091664767 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CN(C)[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000828794316 1091848191 /nfs/dbraw/zinc/84/81/91/1091848191.db2.gz AIMKEMHTFXKPLM-CVEARBPZSA-N 1 0 324.424 3.083 50 0 DGAARO c1cn(-c2ccccc2C[NH2+][C@H]2CCN(c3ccccc3)C2)cn1 ZINC000829069181 1091861891 /nfs/dbraw/zinc/86/18/91/1091861891.db2.gz AOOHIQIWSONRPB-SFHVURJKSA-N 1 0 318.424 3.241 50 0 DGAARO O=C(Cc1cccc(F)c1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581787993 1092269842 /nfs/dbraw/zinc/26/98/42/1092269842.db2.gz NHIMDSRSPCRMCT-INIZCTEOSA-N 1 0 318.436 3.093 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccn3)CC2)CC1 ZINC000581787762 1092270764 /nfs/dbraw/zinc/27/07/64/1092270764.db2.gz BZEWTSYEYXFBFO-KRWDZBQOSA-N 1 0 315.461 3.056 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000581808844 1092280979 /nfs/dbraw/zinc/28/09/79/1092280979.db2.gz SGPCQDAGNDHXKV-UHFFFAOYSA-N 1 0 323.440 3.475 50 0 DGAARO Cc1c[nH+]c(C)n1C[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581808088 1092281455 /nfs/dbraw/zinc/28/14/55/1092281455.db2.gz PPNKARGOOKJTIB-INIZCTEOSA-N 1 0 318.465 3.254 50 0 DGAARO CC(C)OCc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])ccc1F ZINC000952845497 1096778632 /nfs/dbraw/zinc/77/86/32/1096778632.db2.gz IFLPNFZUKXPQTK-MRXNPFEDSA-N 1 0 322.424 3.094 50 0 DGAARO Cc1ccccc1N1CCC([N@@H+]2CCCN(C(C)C)CC2)CC1 ZINC000952873101 1096783112 /nfs/dbraw/zinc/78/31/12/1096783112.db2.gz UMNDDLJIUIGSEV-UHFFFAOYSA-N 1 0 315.505 3.380 50 0 DGAARO CC(C)=CCC/C(C)=C/CN1CCC[C@](CO)(C[NH+](C)C)C1 ZINC000952867293 1096786979 /nfs/dbraw/zinc/78/69/79/1096786979.db2.gz MCHDVBKXOLDPKI-VBIXMBBUSA-N 1 0 308.510 3.315 50 0 DGAARO c1ccc([C@@H]2CN(C3CC[NH+](C4CCCC4)CC3)CCO2)cc1 ZINC000952960110 1096788018 /nfs/dbraw/zinc/78/80/18/1096788018.db2.gz OXKVSTVGGHWYFL-FQEVSTJZSA-N 1 0 314.473 3.467 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c1ccn2C(C)C ZINC000095474176 185372972 /nfs/dbraw/zinc/37/29/72/185372972.db2.gz UCZONMSVPMFYQM-HNNXBMFYSA-N 1 0 313.445 3.436 50 0 DGAARO Cc1nn(C)c2nc(NCCC3CC[NH+](C(C)C)CC3)sc12 ZINC000095507239 185375666 /nfs/dbraw/zinc/37/56/66/185375666.db2.gz HXOVEIROKLGBKM-UHFFFAOYSA-N 1 0 321.494 3.261 50 0 DGAARO Cc1cc(C)nc(N2CCC([NH2+]CC3=CCCCC3)CC2)n1 ZINC000095509768 185375747 /nfs/dbraw/zinc/37/57/47/185375747.db2.gz QWCCIPDJTLBGIG-UHFFFAOYSA-N 1 0 300.450 3.152 50 0 DGAARO CC(C)[NH+]1CCC(CC(=O)N(C)Cc2ccc(Cl)nc2)CC1 ZINC000095512733 185376612 /nfs/dbraw/zinc/37/66/12/185376612.db2.gz SHFNMANLJLWMRR-UHFFFAOYSA-N 1 0 323.868 3.204 50 0 DGAARO COc1ccccc1N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000061963380 432002906 /nfs/dbraw/zinc/00/29/06/432002906.db2.gz OJUQWLAXOIFADL-UHFFFAOYSA-N 1 0 321.424 3.499 50 0 DGAARO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(NS(C)(=O)=O)cc1 ZINC000078921922 185128962 /nfs/dbraw/zinc/12/89/62/185128962.db2.gz FGKBGOFUNLEJEC-LBPRGKRZSA-N 1 0 324.471 3.313 50 0 DGAARO CSc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000078988707 185141629 /nfs/dbraw/zinc/14/16/29/185141629.db2.gz GLLQOHKYMRCQQC-UHFFFAOYSA-N 1 0 313.854 3.278 50 0 DGAARO CC(C)[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+](C)C ZINC000079092680 185157119 /nfs/dbraw/zinc/15/71/19/185157119.db2.gz GSCASULDSXPQSA-KRWDZBQOSA-N 1 0 303.450 3.202 50 0 DGAARO C[NH+](C)Cc1ccc(CNC(=O)/C=C\c2ccsc2)cc1 ZINC000096883383 185390320 /nfs/dbraw/zinc/39/03/20/185390320.db2.gz IYCSOJIHVREYPM-FPLPWBNLSA-N 1 0 300.427 3.139 50 0 DGAARO CCc1nnc([C@H](C)N[C@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000328600519 231237772 /nfs/dbraw/zinc/23/77/72/231237772.db2.gz YCYFICJCYAUPDF-SQWLQELKSA-N 1 0 315.417 3.451 50 0 DGAARO CCCC1CCC(C[NH2+][C@H]2CCc3nc(CC)nn3C2)CC1 ZINC000089949976 185271001 /nfs/dbraw/zinc/27/10/01/185271001.db2.gz BPDQEYZMIRUDNC-GPANFISMSA-N 1 0 304.482 3.351 50 0 DGAARO OCC[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000090079352 185281023 /nfs/dbraw/zinc/28/10/23/185281023.db2.gz LHUHOJZQQHXHRL-HZPDHXFCSA-N 1 0 324.262 3.057 50 0 DGAARO OCC[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000090079349 185281077 /nfs/dbraw/zinc/28/10/77/185281077.db2.gz LHUHOJZQQHXHRL-HOTGVXAUSA-N 1 0 324.262 3.057 50 0 DGAARO CCc1[nH]nc(NC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)c1C ZINC000082039653 192352942 /nfs/dbraw/zinc/35/29/42/192352942.db2.gz JPHLXXNXDWWITF-NSHDSACASA-N 1 0 304.419 3.019 50 0 DGAARO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000090591998 185305870 /nfs/dbraw/zinc/30/58/70/185305870.db2.gz KEBNSYZITHNRKC-CMPLNLGQSA-N 1 0 318.339 3.046 50 0 DGAARO COc1cc(C)c(-c2cn(CC[C@@H]3CCC[N@@H+]3C)nn2)cc1C ZINC000082133480 192358981 /nfs/dbraw/zinc/35/89/81/192358981.db2.gz HTSLRXCOIPJJTI-HNNXBMFYSA-N 1 0 314.433 3.055 50 0 DGAARO COc1ccccc1/C=C/C[NH+]1CCC(c2ccnn2C)CC1 ZINC000092810434 185342795 /nfs/dbraw/zinc/34/27/95/185342795.db2.gz PGKGYHJNYIJXLN-FNORWQNLSA-N 1 0 311.429 3.322 50 0 DGAARO CC(C)Cc1ncc(C[NH+]2CCC(c3ccnn3C)CC2)s1 ZINC000092810623 185342990 /nfs/dbraw/zinc/34/29/90/185342990.db2.gz BQXZIPHQFKITLY-UHFFFAOYSA-N 1 0 318.490 3.455 50 0 DGAARO C[C@@H](NC(=O)Nc1ccc(SCC[NH+](C)C)cc1)C1CC1 ZINC000095396867 185353032 /nfs/dbraw/zinc/35/30/32/185353032.db2.gz QTKXMNCVMOJTHY-GFCCVEGCSA-N 1 0 307.463 3.260 50 0 DGAARO COc1ccc(CC[N@H+](C)CCc2scnc2C)cc1OC ZINC000095399418 185353861 /nfs/dbraw/zinc/35/38/61/185353861.db2.gz DSXKYBLOLTZHDE-UHFFFAOYSA-N 1 0 320.458 3.186 50 0 DGAARO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000095401519 185354763 /nfs/dbraw/zinc/35/47/63/185354763.db2.gz ZVTSKOIBVJVBLL-AWEZNQCLSA-N 1 0 319.449 3.207 50 0 DGAARO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000095404029 185355182 /nfs/dbraw/zinc/35/51/82/185355182.db2.gz SQEYKBCFCWYXQL-IOMROCGXSA-N 1 0 324.468 3.454 50 0 DGAARO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1c(C)nn(C)c1C ZINC000095419496 185359848 /nfs/dbraw/zinc/35/98/48/185359848.db2.gz VTTURUCFFDCNND-OAHLLOKOSA-N 1 0 315.417 3.049 50 0 DGAARO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCN(C)CC1 ZINC000095419524 185359872 /nfs/dbraw/zinc/35/98/72/185359872.db2.gz VWZLMFVLPZDYEH-LBPRGKRZSA-N 1 0 311.267 3.064 50 0 DGAARO C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000095419934 185360179 /nfs/dbraw/zinc/36/01/79/185360179.db2.gz XFWKWHBZMXEEOX-ZDUSSCGKSA-N 1 0 324.490 3.394 50 0 DGAARO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cccc2c[nH]nc21 ZINC000095409424 185357093 /nfs/dbraw/zinc/35/70/93/185357093.db2.gz OMZMATCEILCTDV-MRXNPFEDSA-N 1 0 309.369 3.185 50 0 DGAARO CC(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCSc3ccccc32)C1 ZINC000095423777 185361333 /nfs/dbraw/zinc/36/13/33/185361333.db2.gz BGQACXYVQHGKIC-GDBMZVCRSA-N 1 0 318.486 3.460 50 0 DGAARO C[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000095427856 185361954 /nfs/dbraw/zinc/36/19/54/185361954.db2.gz JLHGIQTYOUNHNM-GJZGRUSLSA-N 1 0 316.351 3.426 50 0 DGAARO Cc1ccsc1[C@H](C)[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000095421573 185360714 /nfs/dbraw/zinc/36/07/14/185360714.db2.gz GWTFYXNVPIRLFS-ZDUSSCGKSA-N 1 0 318.442 3.233 50 0 DGAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2CCCSc3ccccc32)C1 ZINC000095423778 185361032 /nfs/dbraw/zinc/36/10/32/185361032.db2.gz BGQACXYVQHGKIC-HOCLYGCPSA-N 1 0 318.486 3.460 50 0 DGAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000095423910 185361157 /nfs/dbraw/zinc/36/11/57/185361157.db2.gz NRKKRGGMOJABBG-SJCJKPOMSA-N 1 0 322.399 3.407 50 0 DGAARO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1cccnc1 ZINC000095466671 185371881 /nfs/dbraw/zinc/37/18/81/185371881.db2.gz LCBNBESFVWZGBI-QGZVFWFLSA-N 1 0 315.392 3.016 50 0 DGAARO COCC1(C)CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000095459559 185370623 /nfs/dbraw/zinc/37/06/23/185370623.db2.gz KJEYORJWJRRXGS-UHFFFAOYSA-N 1 0 319.380 3.124 50 0 DGAARO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)s1 ZINC000097017334 185397553 /nfs/dbraw/zinc/39/75/53/185397553.db2.gz KKVDOIGYEGFFOO-UKRRQHHQSA-N 1 0 306.475 3.498 50 0 DGAARO Cc1ccsc1[C@@H](C)[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC000097017128 185397592 /nfs/dbraw/zinc/39/75/92/185397592.db2.gz IXVGHPZUYPKFKB-CYBMUJFWSA-N 1 0 323.483 3.353 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccccc1)c1ccsc1 ZINC000097026857 185398781 /nfs/dbraw/zinc/39/87/81/185398781.db2.gz UJGYAUDYSUBAFK-QWGSZXSUSA-N 1 0 300.427 3.180 50 0 DGAARO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@H](C)C1 ZINC000097108788 185411092 /nfs/dbraw/zinc/41/10/92/185411092.db2.gz YLUDAFQHMHTGRC-CPUCHLNUSA-N 1 0 309.475 3.146 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968302 432009966 /nfs/dbraw/zinc/00/99/66/432009966.db2.gz JXAYGVILIZAOCB-AWEZNQCLSA-N 1 0 315.417 3.165 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H]1c1cccs1 ZINC000229816491 201851468 /nfs/dbraw/zinc/85/14/68/201851468.db2.gz WHHMVBNUQMTYDQ-QLFBSQMISA-N 1 0 319.474 3.221 50 0 DGAARO CCCC[N@H+](Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000066543946 432017095 /nfs/dbraw/zinc/01/70/95/432017095.db2.gz LFRZQKNBVWAYMB-KRWDZBQOSA-N 1 0 323.502 3.401 50 0 DGAARO OCc1ccc(-c2nccn2[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000071759419 191026266 /nfs/dbraw/zinc/02/62/66/191026266.db2.gz OUFWGGKNHHESJQ-INIZCTEOSA-N 1 0 323.396 3.082 50 0 DGAARO CC(C)[N@@H+]1CC[C@@H](C(C(N)=O)(c2ccccc2)c2ccccc2)C1 ZINC000071769350 191030128 /nfs/dbraw/zinc/03/01/28/191030128.db2.gz LCERJMPVWHKTBD-LJQANCHMSA-N 1 0 322.452 3.188 50 0 DGAARO c1sc(CN2CC(c3ccccn3)C2)cc1C[NH+]1CCCC1 ZINC000072141588 191050232 /nfs/dbraw/zinc/05/02/32/191050232.db2.gz LJNDXDOHAVDDSY-UHFFFAOYSA-N 1 0 313.470 3.338 50 0 DGAARO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c(cccc3Cl)[nH]2)CC1 ZINC000072146937 191053843 /nfs/dbraw/zinc/05/38/43/191053843.db2.gz DYBYZEHALMHEJT-LBPRGKRZSA-N 1 0 319.836 3.378 50 0 DGAARO c1ccc2c(c1)ncnc2N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000072149963 191056159 /nfs/dbraw/zinc/05/61/59/191056159.db2.gz XGCOJMLOWOHGTK-INIZCTEOSA-N 1 0 308.429 3.108 50 0 DGAARO CC[C@@H]1CN(Cc2c[nH]c(CC3CCCC3)n2)CC[N@@H+]1C(C)C ZINC000072164822 191064702 /nfs/dbraw/zinc/06/47/02/191064702.db2.gz DTQQHURJKOEIHA-GOSISDBHSA-N 1 0 318.509 3.447 50 0 DGAARO O=C(CCc1ccsc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072297637 191113018 /nfs/dbraw/zinc/11/30/18/191113018.db2.gz CFYZQGJCZUTEFH-MRXNPFEDSA-N 1 0 306.475 3.015 50 0 DGAARO Cc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)nc1 ZINC000225589082 186280554 /nfs/dbraw/zinc/28/05/54/186280554.db2.gz UIMARVMIJMWURN-HNNXBMFYSA-N 1 0 321.465 3.419 50 0 DGAARO CSc1ccccc1NC(=O)CN(C)c1cc[nH+]c(C)c1 ZINC000225592243 186280748 /nfs/dbraw/zinc/28/07/48/186280748.db2.gz RGKKXSYVAPGHEF-UHFFFAOYSA-N 1 0 301.415 3.187 50 0 DGAARO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CC2CC[NH2+]CC2)C1 ZINC000237489202 186296617 /nfs/dbraw/zinc/29/66/17/186296617.db2.gz AFQPHNXZOPXLMH-DYVFJYSZSA-N 1 0 304.409 3.125 50 0 DGAARO C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000072313289 191119556 /nfs/dbraw/zinc/11/95/56/191119556.db2.gz CSQBDUMVACLGMJ-GJZGRUSLSA-N 1 0 304.434 3.454 50 0 DGAARO Cn1nc(-c2cccc3c2O[C@H](C[NH3+])C3)c2c1cccc2Cl ZINC000067821441 282796226 /nfs/dbraw/zinc/79/62/26/282796226.db2.gz GRRKCNMNDBYVKC-NSHDSACASA-N 1 0 313.788 3.156 50 0 DGAARO CCNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072422121 191158916 /nfs/dbraw/zinc/15/89/16/191158916.db2.gz NSKLDBHWFSWGBO-UHFFFAOYSA-N 1 0 316.836 3.231 50 0 DGAARO COc1cc(F)c(CN2CCCC[C@@H]2CC[NH+](C)C)cc1OC ZINC000072432012 191163838 /nfs/dbraw/zinc/16/38/38/191163838.db2.gz VFTSRFDUPATLNT-OAHLLOKOSA-N 1 0 324.440 3.149 50 0 DGAARO Cc1cccc(SC2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000072436680 191165715 /nfs/dbraw/zinc/16/57/15/191165715.db2.gz JYVKXAQAQAQGHI-LSDHHAIUSA-N 1 0 318.486 3.206 50 0 DGAARO c1cnc(N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)cn1 ZINC000072431425 191163468 /nfs/dbraw/zinc/16/34/68/191163468.db2.gz UFQLHZXMLWOCIJ-LJQANCHMSA-N 1 0 314.477 3.349 50 0 DGAARO c1c[nH]c(CN2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000072447917 191170029 /nfs/dbraw/zinc/17/00/29/191170029.db2.gz GOVSFJZITMXOKJ-HXUWFJFHSA-N 1 0 324.472 3.288 50 0 DGAARO Cc1ccc(C)c(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000000564185 180822613 /nfs/dbraw/zinc/82/26/13/180822613.db2.gz ASLLCKCEGXYATM-UHFFFAOYSA-N 1 0 318.461 3.108 50 0 DGAARO COc1ccc2[nH]c(C[NH2+][C@H](C)Cn3nc(C)cc3C)cc2c1 ZINC000067589103 432033054 /nfs/dbraw/zinc/03/30/54/432033054.db2.gz LPKULKSADUNCLV-CYBMUJFWSA-N 1 0 312.417 3.168 50 0 DGAARO CCCCn1cc(C2=CCN(CC[NH+]3CCCCC3)CC2)cn1 ZINC000067641583 432033625 /nfs/dbraw/zinc/03/36/25/432033625.db2.gz PTEVHCGHKBNYQB-UHFFFAOYSA-N 1 0 316.493 3.258 50 0 DGAARO CC/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)noc2C)C1 ZINC000067605460 432033839 /nfs/dbraw/zinc/03/38/39/432033839.db2.gz VLWWAHXZRGNZKV-MFMIUCCHSA-N 1 0 320.437 3.091 50 0 DGAARO CC[NH+](CC)CCCNCc1ccc(OC(C)C)c(OC)c1 ZINC000002933161 180970669 /nfs/dbraw/zinc/97/06/69/180970669.db2.gz NIEQUIUJRFUNNB-UHFFFAOYSA-N 1 0 308.466 3.304 50 0 DGAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000067674174 432034711 /nfs/dbraw/zinc/03/47/11/432034711.db2.gz CFOUIWMYGRZAQO-KRWDZBQOSA-N 1 0 310.441 3.496 50 0 DGAARO COc1ccccc1-c1cccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000067678180 432034774 /nfs/dbraw/zinc/03/47/74/432034774.db2.gz SDRONJRJTDJVBE-HNNXBMFYSA-N 1 0 324.424 3.044 50 0 DGAARO C/C(=C/c1ccccc1)C[NH2+]CCc1nnc2n1CCCCC2 ZINC000067698235 432035204 /nfs/dbraw/zinc/03/52/04/432035204.db2.gz FKJMJDZTNZYJQO-PEZBUJJGSA-N 1 0 310.445 3.240 50 0 DGAARO O=C(Cc1cccs1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003348694 181009703 /nfs/dbraw/zinc/00/97/03/181009703.db2.gz VBTWIICTTSJDJW-OAHLLOKOSA-N 1 0 318.442 3.227 50 0 DGAARO O[C@H](C[NH2+]C1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000107713719 432036605 /nfs/dbraw/zinc/03/66/05/432036605.db2.gz JGQAJMOVLNPZQT-CYBMUJFWSA-N 1 0 305.365 3.224 50 0 DGAARO CO[C@H](C)c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC000067692709 432036519 /nfs/dbraw/zinc/03/65/19/432036519.db2.gz AMNJYPNFYCGDBU-MRXNPFEDSA-N 1 0 310.441 3.466 50 0 DGAARO C[C@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(F)cc2)N1O ZINC000003904802 181055093 /nfs/dbraw/zinc/05/50/93/181055093.db2.gz UDZHZPJBFYXBMS-YVEFUNNKSA-N 1 0 300.333 3.091 50 0 DGAARO COCCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 ZINC000004028628 181064389 /nfs/dbraw/zinc/06/43/89/181064389.db2.gz BGKMCMULUPGYJR-FXRXJOCMSA-N 1 0 321.461 3.071 50 0 biogenic DGAARO C[C@H](Oc1ccccc1)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028164 181064625 /nfs/dbraw/zinc/06/46/25/181064625.db2.gz COVCNGRWIKQEQM-XYJFISCASA-N 1 0 317.429 3.262 50 0 biogenic DGAARO C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1ccc(O)c(F)c1 ZINC000067739479 432037575 /nfs/dbraw/zinc/03/75/75/432037575.db2.gz PKUPOEXDNIVMOX-CYBMUJFWSA-N 1 0 320.408 3.117 50 0 DGAARO CC(C)(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000067742122 432037782 /nfs/dbraw/zinc/03/77/82/432037782.db2.gz ZFNAHDVCOJVDLG-CQSZACIVSA-N 1 0 313.445 3.266 50 0 DGAARO OCC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067740221 432038364 /nfs/dbraw/zinc/03/83/64/432038364.db2.gz ZYCZXJXYYOZVKN-UHFFFAOYSA-N 1 0 319.408 3.094 50 0 DGAARO c1ccc(-c2cnc(SCC[NH+]3CCCCC3)nn2)cc1 ZINC000004488030 181113572 /nfs/dbraw/zinc/11/35/72/181113572.db2.gz XMBSBSARGMATNR-UHFFFAOYSA-N 1 0 300.431 3.117 50 0 DGAARO C[C@H](C[NH+](C)C)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067772320 432039801 /nfs/dbraw/zinc/03/98/01/432039801.db2.gz POGGACZFUWJRAZ-GFCCVEGCSA-N 1 0 321.371 3.192 50 0 DGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000004648886 181131311 /nfs/dbraw/zinc/13/13/11/181131311.db2.gz FICKTBOMIPGRMD-XJNFMUPTSA-N 1 0 314.429 3.041 50 0 DGAARO CC[C@H](C)NC(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000004691572 181138002 /nfs/dbraw/zinc/13/80/02/181138002.db2.gz FENCWBAKEAQKTN-INIZCTEOSA-N 1 0 302.462 3.246 50 0 DGAARO O=C(NC1CCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000004698603 181138672 /nfs/dbraw/zinc/13/86/72/181138672.db2.gz SPSXAJDHDHXFAJ-UHFFFAOYSA-N 1 0 304.409 3.097 50 0 DGAARO COc1cccc2ccc(-c3cccc4c3O[C@H](C[NH3+])C4)nc21 ZINC000067785324 432040144 /nfs/dbraw/zinc/04/01/44/432040144.db2.gz WNXIZQVNDUBSML-AWEZNQCLSA-N 1 0 306.365 3.173 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000004745165 181146673 /nfs/dbraw/zinc/14/66/73/181146673.db2.gz SBMRGPUPONJGFV-GOSISDBHSA-N 1 0 300.446 3.220 50 0 DGAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCCCC1 ZINC000004745222 181146978 /nfs/dbraw/zinc/14/69/78/181146978.db2.gz LWRYYZKCURYTQK-KRWDZBQOSA-N 1 0 318.436 3.440 50 0 DGAARO Cc1cccc2cc(C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)c(C)nc12 ZINC000067852321 432043510 /nfs/dbraw/zinc/04/35/10/432043510.db2.gz SDLFZGDJLKWGBF-HXUWFJFHSA-N 1 0 323.440 3.067 50 0 DGAARO Cc1ccc(OCCC[NH2+]C[C@@H](C)O)c(Cc2ccccc2)c1 ZINC000004833803 181159652 /nfs/dbraw/zinc/15/96/52/181159652.db2.gz RLNFCVQVCUBEIR-QGZVFWFLSA-N 1 0 313.441 3.325 50 0 DGAARO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)C(C)(C)C ZINC000154053908 620635607 /nfs/dbraw/zinc/63/56/07/620635607.db2.gz CNGFFDIAOFLPLT-CQSZACIVSA-N 1 0 319.445 3.488 50 0 DGAARO COc1ccc(Cl)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1F ZINC000067867004 432044409 /nfs/dbraw/zinc/04/44/09/432044409.db2.gz YIDXNITVSKXVQU-INIZCTEOSA-N 1 0 312.816 3.063 50 0 DGAARO Cc1ccc2[nH]c(=O)c(C[N@H+](C)CCC[C@@H]3CCCO3)cc2c1 ZINC000067868472 432044204 /nfs/dbraw/zinc/04/42/04/432044204.db2.gz 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/nfs/dbraw/zinc/04/81/40/432048140.db2.gz UPEWAUFZHNCHPA-UHFFFAOYSA-N 1 0 315.335 3.181 50 0 DGAARO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)NC(C)C)C2)cc1C ZINC000067974997 432047926 /nfs/dbraw/zinc/04/79/26/432047926.db2.gz WJWBWCJGZFVDHT-SFHVURJKSA-N 1 0 317.477 3.223 50 0 DGAARO [NH3+]CCc1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000005100741 181203190 /nfs/dbraw/zinc/20/31/90/181203190.db2.gz WLPSAJWRNXIPBM-UHFFFAOYSA-N 1 0 304.202 3.170 50 0 DGAARO CN(C/C=C/c1ccccc1)c1cc(C2CC[NH2+]CC2)ncn1 ZINC000067983119 432048963 /nfs/dbraw/zinc/04/89/63/432048963.db2.gz LVNODNWDKNWKLY-VMPITWQZSA-N 1 0 308.429 3.093 50 0 DGAARO CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237112030 202157737 /nfs/dbraw/zinc/15/77/37/202157737.db2.gz YRCPDVJUEHJYQI-HNNXBMFYSA-N 1 0 322.330 3.364 50 0 DGAARO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccccc2)C1(CC)CC ZINC000170599832 432073451 /nfs/dbraw/zinc/07/34/51/432073451.db2.gz KSBMBPWLDXJLKV-SJORKVTESA-N 1 0 318.461 3.223 50 0 DGAARO CCc1ccnc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000180164842 199124958 /nfs/dbraw/zinc/12/49/58/199124958.db2.gz LHZGZAOGEPUKLQ-QGZVFWFLSA-N 1 0 321.424 3.269 50 0 DGAARO Cc1csc(Sc2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)n1 ZINC000237653482 202318983 /nfs/dbraw/zinc/31/89/83/202318983.db2.gz UYZBITSFNXHVCZ-NSHDSACASA-N 1 0 319.455 3.151 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cs2)C12CCOCC2 ZINC000193218609 201007849 /nfs/dbraw/zinc/00/78/49/201007849.db2.gz NXRAOAJFVFTMGH-ZIAGYGMSSA-N 1 0 315.866 3.465 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000193526461 201068998 /nfs/dbraw/zinc/06/89/98/201068998.db2.gz AKSZGOHIDMZAFB-LBPRGKRZSA-N 1 0 315.392 3.443 50 0 DGAARO C[C@H](C[NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1 ZINC000194333606 201204585 /nfs/dbraw/zinc/20/45/85/201204585.db2.gz WMQHEOVSUDOCRJ-OAHLLOKOSA-N 1 0 317.454 3.125 50 0 DGAARO C[C@@H]([NH2+]C1CCC(Oc2cnccn2)CC1)c1cccc(O)c1 ZINC000194966892 201317564 /nfs/dbraw/zinc/31/75/64/201317564.db2.gz 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/nfs/dbraw/zinc/37/45/23/181374523.db2.gz AEZRRMOKXAJRKV-UHFFFAOYSA-N 1 0 303.377 3.265 50 0 DGAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000006703130 181374560 /nfs/dbraw/zinc/37/45/60/181374560.db2.gz HSBUCNJULPTVCH-UHFFFAOYSA-N 1 0 318.461 3.402 50 0 DGAARO Cc1cc2cccc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)c2o1 ZINC000091452584 193058902 /nfs/dbraw/zinc/05/89/02/193058902.db2.gz HBNFDDCHANDMDL-CYBMUJFWSA-N 1 0 312.413 3.440 50 0 DGAARO C[C@@H]1C[N@H+](CCOCc2ccccc2)CC[C@@]1(O)C1CCC1 ZINC000091526925 193069301 /nfs/dbraw/zinc/06/93/01/193069301.db2.gz YBGPXZDVSLBQFP-APWZRJJASA-N 1 0 303.446 3.076 50 0 DGAARO Cc1ccnc(Cn2cc(-c3cccc([C@H](C)[NH+](C)C)c3)nn2)c1 ZINC000091551482 193072987 /nfs/dbraw/zinc/07/29/87/193072987.db2.gz PFUMMEFDXPHLFC-HNNXBMFYSA-N 1 0 321.428 3.319 50 0 DGAARO COc1ccc(/C=C/CN2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cc1 ZINC000091664253 193086528 /nfs/dbraw/zinc/08/65/28/193086528.db2.gz LRSAXZQRKXQYBA-HMTUNPETSA-N 1 0 302.462 3.226 50 0 DGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(F)c1C)CC2 ZINC000091725121 193097508 /nfs/dbraw/zinc/09/75/08/193097508.db2.gz DKFKMYTVHSGTFQ-UHFFFAOYSA-N 1 0 318.436 3.359 50 0 DGAARO COCCC[C@]1(CO)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000091846023 193117068 /nfs/dbraw/zinc/11/70/68/193117068.db2.gz PQXYDISDEZIBGV-CEQQRPIWSA-N 1 0 303.446 3.201 50 0 DGAARO Cc1ccccc1C[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091951031 193131655 /nfs/dbraw/zinc/13/16/55/193131655.db2.gz YDWKNYIVKCMFOR-UHFFFAOYSA-N 1 0 312.457 3.362 50 0 DGAARO O=C(CCC[NH+]1CCCCCC1)NCc1cc2ccccc2[nH]1 ZINC000219160431 201550917 /nfs/dbraw/zinc/55/09/17/201550917.db2.gz DAXJVALMGZMFKO-UHFFFAOYSA-N 1 0 313.445 3.440 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(C)c1 ZINC000093134199 193205623 /nfs/dbraw/zinc/20/56/23/193205623.db2.gz KTRCZUMCYJQWIX-KRWDZBQOSA-N 1 0 310.445 3.221 50 0 DGAARO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000262629551 203356002 /nfs/dbraw/zinc/35/60/02/203356002.db2.gz KEBKVTUKVJBCFJ-AEJSXWLSSA-N 1 0 301.217 3.298 50 0 DGAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000095971521 193468193 /nfs/dbraw/zinc/46/81/93/193468193.db2.gz FCGSFRWEAHPNFT-UHFFFAOYSA-N 1 0 322.368 3.098 50 0 DGAARO CCc1oc(-c2nc([C@@H]3CCOC3)no2)cc1C[NH+](CC)CC ZINC000096140547 193549762 /nfs/dbraw/zinc/54/97/62/193549762.db2.gz QZKDCQJVUBLVFI-GFCCVEGCSA-N 1 0 319.405 3.238 50 0 DGAARO OC1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000096295435 193610591 /nfs/dbraw/zinc/61/05/91/193610591.db2.gz QGCOSZGHZGYFHP-IWQZZHSRSA-N 1 0 310.235 3.309 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000008131799 181528769 /nfs/dbraw/zinc/52/87/69/181528769.db2.gz AUHOFXYSZWMCRT-GOSISDBHSA-N 1 0 324.424 3.335 50 0 DGAARO Cc1c2ccc(C)c(C)c2oc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012587477 181779835 /nfs/dbraw/zinc/77/98/35/181779835.db2.gz RCBIPKPBMHPJTK-OAHLLOKOSA-N 1 0 312.413 3.278 50 0 DGAARO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1c(F)cccc1Cl)CC2 ZINC000097199358 193686692 /nfs/dbraw/zinc/68/66/92/193686692.db2.gz MKTFYOKLZLXRTK-LLVKDONJSA-N 1 0 322.815 3.299 50 0 DGAARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3cccs3)C2)c1 ZINC000015962355 182026603 /nfs/dbraw/zinc/02/66/03/182026603.db2.gz NICSZXCBKFPDHL-GOSISDBHSA-N 1 0 313.446 3.317 50 0 DGAARO C[C@H]1CCc2c(C(=O)NCC[NH+]3CCCCC3)csc2C1 ZINC000016602460 182051702 /nfs/dbraw/zinc/05/17/02/182051702.db2.gz SNJLZUGUEOZTSP-ZDUSSCGKSA-N 1 0 306.475 3.089 50 0 DGAARO Cc1cc(OC(C)(C)C(=O)NC2CC[NH+](C)CC2)ccc1Cl ZINC000016603806 182052266 /nfs/dbraw/zinc/05/22/66/182052266.db2.gz HNCRUORJMXJNIL-UHFFFAOYSA-N 1 0 324.852 3.016 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000016604927 182052556 /nfs/dbraw/zinc/05/25/56/182052556.db2.gz MPLTUNNOLCYMIE-UHFFFAOYSA-N 1 0 301.217 3.208 50 0 DGAARO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccco3)CC2)c1 ZINC000016607137 182053478 /nfs/dbraw/zinc/05/34/78/182053478.db2.gz DCVVBYQNBMAVLS-UHFFFAOYSA-N 1 0 312.413 3.116 50 0 DGAARO Cc1cccc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)c1 ZINC000019225723 182108329 /nfs/dbraw/zinc/10/83/29/182108329.db2.gz KOISRBNNELQYMC-AWEZNQCLSA-N 1 0 300.427 3.411 50 0 DGAARO C[NH+](C)CCn1ccc(-c2cccc(-c3ccncc3F)c2)n1 ZINC000019228454 182108996 /nfs/dbraw/zinc/10/89/96/182108996.db2.gz GSINPUSIDFTZLR-UHFFFAOYSA-N 1 0 310.376 3.313 50 0 DGAARO CC[NH+](CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1 ZINC000019369230 182120092 /nfs/dbraw/zinc/12/00/92/182120092.db2.gz RYOOHIUJEJZCFT-GOSISDBHSA-N 1 0 320.477 3.248 50 0 world DGAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019637055 182134585 /nfs/dbraw/zinc/13/45/85/182134585.db2.gz GNLDVAXWJJLACF-WBVHZDCISA-N 1 0 316.445 3.112 50 0 DGAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(OC)c1O ZINC000019787288 182148384 /nfs/dbraw/zinc/14/83/84/182148384.db2.gz UTQRIOBWBSBXPN-UHFFFAOYSA-N 1 0 321.804 3.395 50 0 DGAARO CCOCCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1 ZINC000019737654 182141409 /nfs/dbraw/zinc/14/14/09/182141409.db2.gz KJWAAUGADKUQEF-UHFFFAOYSA-N 1 0 315.413 3.400 50 0 DGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccccc2Cl)C[C@@H]1CCO ZINC000019794973 182150273 /nfs/dbraw/zinc/15/02/73/182150273.db2.gz JOMAKGXTLZYUJX-KRWDZBQOSA-N 1 0 322.880 3.175 50 0 DGAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100405 182187194 /nfs/dbraw/zinc/18/71/94/182187194.db2.gz CSOCMEVVZPBTFM-CYBMUJFWSA-N 1 0 308.853 3.467 50 0 DGAARO Fc1cnccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000020119032 182189124 /nfs/dbraw/zinc/18/91/24/182189124.db2.gz DRNNGNXSCHPCIS-UHFFFAOYSA-N 1 0 310.376 3.477 50 0 DGAARO COc1ccccc1CN1CCC([NH+]2CCC(C)CC2)CC1 ZINC000020064609 182184788 /nfs/dbraw/zinc/18/47/88/182184788.db2.gz GBVHRZRSXRLVFC-UHFFFAOYSA-N 1 0 302.462 3.392 50 0 DGAARO O=C(NC1Cc2ccccc2C1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020204438 182197657 /nfs/dbraw/zinc/19/76/57/182197657.db2.gz WSLXTQOYUQVZTL-HNNXBMFYSA-N 1 0 312.438 3.070 50 0 DGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CCO ZINC000020208712 182197715 /nfs/dbraw/zinc/19/77/15/182197715.db2.gz ZNCJAMIOKVFHMR-SFHVURJKSA-N 1 0 322.880 3.175 50 0 DGAARO COc1ccccc1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000020274850 182202581 /nfs/dbraw/zinc/20/25/81/182202581.db2.gz HFOJTWGTJWPOIO-UHFFFAOYSA-N 1 0 324.468 3.446 50 0 DGAARO CC[NH+]1CCN(CCOc2ccccc2-c2ccccc2)CC1 ZINC000020390312 182213638 /nfs/dbraw/zinc/21/36/38/182213638.db2.gz YELHRHLYDLZGNB-UHFFFAOYSA-N 1 0 310.441 3.370 50 0 DGAARO CC[NH+]1CCN(CCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020390349 182213922 /nfs/dbraw/zinc/21/39/22/182213922.db2.gz SUMAIGMKAGMCFU-UHFFFAOYSA-N 1 0 310.441 3.370 50 0 DGAARO Fc1ccc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)o2)cc1 ZINC000020477274 182221789 /nfs/dbraw/zinc/22/17/89/182221789.db2.gz FRSODWUTBVRSNE-QGZVFWFLSA-N 1 0 300.377 3.270 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1cc(Cl)ccc1Cl ZINC000493404733 245970268 /nfs/dbraw/zinc/97/02/68/245970268.db2.gz SQBDJMBYRMLMBU-VWVUHHFESA-N 1 0 313.228 3.345 50 0 DGAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000020455155 182219513 /nfs/dbraw/zinc/21/95/13/182219513.db2.gz MJXVYXBBSRIXGQ-CYBMUJFWSA-N 1 0 305.324 3.067 50 0 DGAARO COc1cc2c(cc1OC)[C@H](c1cc(Cl)ccc1N)[NH2+]CC2 ZINC000020458216 182219914 /nfs/dbraw/zinc/21/99/14/182219914.db2.gz OZXRBUUEDMBVAR-QGZVFWFLSA-N 1 0 318.804 3.175 50 0 DGAARO C[C@@]1(CO)CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000020536288 182228047 /nfs/dbraw/zinc/22/80/47/182228047.db2.gz LMUGKPQKXNIZEE-OAHLLOKOSA-N 1 0 301.352 3.342 50 0 DGAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[NH+](CC2CCC2)CC1 ZINC000020637109 182241570 /nfs/dbraw/zinc/24/15/70/182241570.db2.gz SBEVZNYUYPEYHD-UHFFFAOYSA-N 1 0 324.472 3.303 50 0 DGAARO Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000021148664 182266448 /nfs/dbraw/zinc/26/64/48/182266448.db2.gz JSTNSJRAAFHBGE-GOSISDBHSA-N 1 0 300.446 3.476 50 0 DGAARO Cc1ccc(O)c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000021200310 182269137 /nfs/dbraw/zinc/26/91/37/182269137.db2.gz XXAWKJAENYQPGU-UHFFFAOYSA-N 1 0 304.434 3.085 50 0 DGAARO CC(=O)c1ccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022197839 182312524 /nfs/dbraw/zinc/31/25/24/182312524.db2.gz PYBDPZPOURMNON-ZIAGYGMSSA-N 1 0 302.418 3.196 50 0 DGAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1CO ZINC000023280064 182355653 /nfs/dbraw/zinc/35/56/53/182355653.db2.gz LXSYGZWNLFXSIM-IUODEOHRSA-N 1 0 301.352 3.483 50 0 DGAARO COc1ccc(CC[NH2+]Cc2ccc(F)cc2F)cc1OC ZINC000023550054 182363229 /nfs/dbraw/zinc/36/32/29/182363229.db2.gz CCPYGMIJDRMKOT-UHFFFAOYSA-N 1 0 307.340 3.314 50 0 DGAARO Cc1cc(C(=O)NCc2ccccc2C[NH+](C)C)sc1C ZINC000024084121 182374996 /nfs/dbraw/zinc/37/49/96/182374996.db2.gz NTPSWLBBNGZFTR-UHFFFAOYSA-N 1 0 302.443 3.357 50 0 DGAARO COc1ccccc1/C=C\C[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000098052806 193778742 /nfs/dbraw/zinc/77/87/42/193778742.db2.gz YVXWYKPJHPVNRK-CTEOGUNLSA-N 1 0 311.429 3.381 50 0 DGAARO Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1F ZINC000040081397 183032162 /nfs/dbraw/zinc/03/21/62/183032162.db2.gz LFVWJYCWBGJNDA-UHFFFAOYSA-N 1 0 300.377 3.126 50 0 DGAARO CC(C)[C@H](CNC(=O)Cc1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000040089288 183032926 /nfs/dbraw/zinc/03/29/26/183032926.db2.gz DUQRMMRZZVHVQS-SFHVURJKSA-N 1 0 320.452 3.241 50 0 DGAARO C[C@@H](CNC(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000040105497 183035510 /nfs/dbraw/zinc/03/55/10/183035510.db2.gz GMMFLFPYJXFBGZ-RYUDHWBXSA-N 1 0 311.376 3.349 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000040596176 183106889 /nfs/dbraw/zinc/10/68/89/183106889.db2.gz HCPCTRUUGIKTQN-SNVBAGLBSA-N 1 0 301.217 3.065 50 0 DGAARO O=C(c1ccco1)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000042206537 183242478 /nfs/dbraw/zinc/24/24/78/183242478.db2.gz RNJYJMOSVNERGI-UHFFFAOYSA-N 1 0 318.804 3.327 50 0 DGAARO COc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770183 183306813 /nfs/dbraw/zinc/30/68/13/183306813.db2.gz ALLOEGGDTFMXCC-LLVKDONJSA-N 1 0 314.223 3.369 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)o1 ZINC000044951245 183465410 /nfs/dbraw/zinc/46/54/10/183465410.db2.gz RESQXFRBMBCMIC-TZMCWYRMSA-N 1 0 321.446 3.313 50 0 DGAARO CCSc1ccccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000102716731 193919666 /nfs/dbraw/zinc/91/96/66/193919666.db2.gz MGUDQNSNNADFOD-AWEZNQCLSA-N 1 0 317.458 3.277 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(c2cccc(Cl)c2)CC1 ZINC000046992981 183576966 /nfs/dbraw/zinc/57/69/66/183576966.db2.gz UWOJASUKCIJFRO-HZPDHXFCSA-N 1 0 318.848 3.115 50 0 DGAARO Fc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c(Cl)c1 ZINC000105801975 194131295 /nfs/dbraw/zinc/13/12/95/194131295.db2.gz SKIIEIVZBCPOJN-AWEZNQCLSA-N 1 0 320.799 3.028 50 0 DGAARO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000106633184 194238782 /nfs/dbraw/zinc/23/87/82/194238782.db2.gz SADBENMQUSDJBL-AZUAARDMSA-N 1 0 320.436 3.496 50 0 DGAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cccn2-c2ncccn2)c1 ZINC000055120068 183965546 /nfs/dbraw/zinc/96/55/46/183965546.db2.gz LBEVSILHFJICJO-INIZCTEOSA-N 1 0 321.428 3.034 50 0 DGAARO OCC[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)CC1CC1 ZINC000058196586 184086589 /nfs/dbraw/zinc/08/65/89/184086589.db2.gz ZSUOHGFHQSNNJW-UHFFFAOYSA-N 1 0 306.793 3.199 50 0 DGAARO COc1ccc(C)cc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000058140853 184080544 /nfs/dbraw/zinc/08/05/44/184080544.db2.gz OYSXKHJPASGVNX-UHFFFAOYSA-N 1 0 319.449 3.342 50 0 DGAARO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC ZINC000058155694 184081530 /nfs/dbraw/zinc/08/15/30/184081530.db2.gz ATCCKANBYDFCQL-INIZCTEOSA-N 1 0 318.461 3.470 50 0 DGAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC=CCC1 ZINC000058344338 184107374 /nfs/dbraw/zinc/10/73/74/184107374.db2.gz MQQULNOOCKMKIU-INIZCTEOSA-N 1 0 318.486 3.433 50 0 DGAARO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000058264634 184096057 /nfs/dbraw/zinc/09/60/57/184096057.db2.gz HIMOYBIFLOMJKH-AEFFLSMTSA-N 1 0 302.462 3.417 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1sccc1-c1ccccc1 ZINC000058393121 184111987 /nfs/dbraw/zinc/11/19/87/184111987.db2.gz BHVLJRSBMGIQHU-CQSZACIVSA-N 1 0 312.438 3.382 50 0 DGAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000058271522 184098406 /nfs/dbraw/zinc/09/84/06/184098406.db2.gz JMBFJQPPFXDILQ-MCIONIFRSA-N 1 0 308.853 3.323 50 0 DGAARO CC[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000058281675 184099534 /nfs/dbraw/zinc/09/95/34/184099534.db2.gz DLEVFERMNAJSCI-AWEZNQCLSA-N 1 0 320.864 3.220 50 0 DGAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H](C)c1cc(C)sc1C)CN2 ZINC000058294441 184101745 /nfs/dbraw/zinc/10/17/45/184101745.db2.gz WKLBANUMSNLCHV-GXTWGEPZSA-N 1 0 304.463 3.262 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc2ccccc21 ZINC000058296379 184102726 /nfs/dbraw/zinc/10/27/26/184102726.db2.gz SIVHCJXOISTWKQ-LSDHHAIUSA-N 1 0 306.413 3.429 50 0 DGAARO Cc1noc(C)c1[C@@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000058331088 184106460 /nfs/dbraw/zinc/10/64/60/184106460.db2.gz REHZAXUZVBMPGG-UONOGXRCSA-N 1 0 321.465 3.166 50 0 DGAARO CC(C)(C)OCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000060061742 184144150 /nfs/dbraw/zinc/14/41/50/184144150.db2.gz JUJIXQQDBYIGAQ-OAHLLOKOSA-N 1 0 305.418 3.410 50 0 DGAARO Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)COC3)[NH+](C)C)cc1 ZINC000064497313 184298766 /nfs/dbraw/zinc/29/87/66/184298766.db2.gz BZHCTPNJDRTASL-IBGZPJMESA-N 1 0 324.424 3.058 50 0 DGAARO c1cc(-c2nnc(SCCC[NH+]3CCCCC3)o2)ccn1 ZINC000064548575 184299386 /nfs/dbraw/zinc/29/93/86/184299386.db2.gz GYEWMVDUFBIODR-UHFFFAOYSA-N 1 0 304.419 3.100 50 0 DGAARO CC(C)c1nc(CN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000065386344 184333283 /nfs/dbraw/zinc/33/32/83/184333283.db2.gz IMXUSMFFEGMDMZ-HNNXBMFYSA-N 1 0 323.506 3.489 50 0 DGAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000065387746 184333730 /nfs/dbraw/zinc/33/37/30/184333730.db2.gz RSLDKZWZQTUDST-UMEYKSNOSA-N 1 0 312.457 3.424 50 0 DGAARO c1nnc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1Cc1ccccc1 ZINC000065287815 184322413 /nfs/dbraw/zinc/32/24/13/184322413.db2.gz FZIAWQAPWRISPO-KRWDZBQOSA-N 1 0 310.445 3.448 50 0 DGAARO C[C@H](c1cccc(-c2nnnn2-c2ccccc2)c1)[NH+]1CCCC1 ZINC000065370530 184329444 /nfs/dbraw/zinc/32/94/44/184329444.db2.gz JWYTVXMJFRFGSZ-OAHLLOKOSA-N 1 0 319.412 3.486 50 0 DGAARO C[C@@H](CCc1ccccc1)[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000065382974 184332561 /nfs/dbraw/zinc/33/25/61/184332561.db2.gz KJUFJKLNIGBMSM-HNNXBMFYSA-N 1 0 321.424 3.077 50 0 DGAARO CN(Cc1ccccc1C[NH+]1CCCC1)c1ncnc2[nH]ccc21 ZINC000065408933 184339520 /nfs/dbraw/zinc/33/95/20/184339520.db2.gz UBELQTYAQDMUNY-UHFFFAOYSA-N 1 0 321.428 3.190 50 0 DGAARO COCc1ccccc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065409237 184340331 /nfs/dbraw/zinc/34/03/31/184340331.db2.gz CUEONDIJGBTGCH-HNNXBMFYSA-N 1 0 319.449 3.075 50 0 DGAARO CC[C@H]([NH2+]Cc1cc(C)c(OC(C)=O)c(C)c1)c1ccnn1C ZINC000065453505 184346521 /nfs/dbraw/zinc/34/65/21/184346521.db2.gz VZOQJGKBQWYFDW-INIZCTEOSA-N 1 0 315.417 3.203 50 0 DGAARO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000065458814 184348383 /nfs/dbraw/zinc/34/83/83/184348383.db2.gz IEULIWPVPQGWJI-PBHICJAKSA-N 1 0 314.433 3.157 50 0 DGAARO CC[N@@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2CCCO)C1 ZINC000065405104 184337854 /nfs/dbraw/zinc/33/78/54/184337854.db2.gz HHIVRWGQTVMUOE-KRWDZBQOSA-N 1 0 313.445 3.132 50 0 DGAARO Cc1nc(-n2cnnc2)ccc1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000065404531 184338234 /nfs/dbraw/zinc/33/82/34/184338234.db2.gz XUGLAHGTVLMQPE-CQSZACIVSA-N 1 0 307.401 3.260 50 0 DGAARO CCC[NH+]1CCC(NC(=O)C2(c3cccc(F)c3)CCC2)CC1 ZINC000065591388 184369891 /nfs/dbraw/zinc/36/98/91/184369891.db2.gz MPAQCKDUAQCUEH-UHFFFAOYSA-N 1 0 318.436 3.238 50 0 DGAARO CC(C)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065625593 184375216 /nfs/dbraw/zinc/37/52/16/184375216.db2.gz FPCZEERIIPDADB-ZWKOTPCHSA-N 1 0 300.446 3.298 50 0 DGAARO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000155043106 197017337 /nfs/dbraw/zinc/01/73/37/197017337.db2.gz WTKRAZHLPCUVSS-LSDHHAIUSA-N 1 0 300.427 3.409 50 0 DGAARO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000155042989 197016912 /nfs/dbraw/zinc/01/69/12/197016912.db2.gz WTKRAZHLPCUVSS-HUUCEWRRSA-N 1 0 300.427 3.409 50 0 DGAARO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000153782222 196908566 /nfs/dbraw/zinc/90/85/66/196908566.db2.gz DPXOKSOCSWNJKJ-CXAGYDPISA-N 1 0 301.434 3.331 50 0 DGAARO C[C@H](CCCO)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000095995576 256549794 /nfs/dbraw/zinc/54/97/94/256549794.db2.gz VPUGUCSEJGHPDY-TZMCWYRMSA-N 1 0 316.367 3.035 50 0 DGAARO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000520723067 257235070 /nfs/dbraw/zinc/23/50/70/257235070.db2.gz JDZBWUVMOAFAAT-BFYDXBDKSA-N 1 0 318.461 3.224 50 0 DGAARO C[N@@H+]1CC[C@H](Nc2nc3ccccc3c(=O)[nH]2)[C@H]1c1ccccc1 ZINC000278806919 257257324 /nfs/dbraw/zinc/25/73/24/257257324.db2.gz RUEVDGYHHAIWON-DLBZAZTESA-N 1 0 320.396 3.193 50 0 DGAARO CC(C)[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000091280639 400111032 /nfs/dbraw/zinc/11/10/32/400111032.db2.gz UDWBKVRRRCNTON-SWLSCSKDSA-N 1 0 315.866 3.061 50 0 DGAARO Cc1csc([C@H](C)NC(=O)C2([NH+]3CCCC3)CCCCC2)n1 ZINC000584886238 400120955 /nfs/dbraw/zinc/12/09/55/400120955.db2.gz CNISXKCDEZSPRW-AWEZNQCLSA-N 1 0 321.490 3.427 50 0 DGAARO CC[N@H+](C)C1(CNC(=O)c2ccncc2Cl)CCCCC1 ZINC000584896500 400123584 /nfs/dbraw/zinc/12/35/84/400123584.db2.gz IVTFOWHBYSVUHT-UHFFFAOYSA-N 1 0 309.841 3.119 50 0 DGAARO c1ccc(-c2noc(C[NH2+][C@H]3CCc4cccnc4CC3)n2)cc1 ZINC000585136437 400126983 /nfs/dbraw/zinc/12/69/83/400126983.db2.gz GDEUWJZVKFKJQK-INIZCTEOSA-N 1 0 320.396 3.169 50 0 DGAARO c1c[nH]c(CNCc2ccc(C[NH+]3CCCCCCC3)cc2)n1 ZINC000066906070 400129430 /nfs/dbraw/zinc/12/94/30/400129430.db2.gz XSZKJIJBVHILDH-UHFFFAOYSA-N 1 0 312.461 3.466 50 0 DGAARO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1 ZINC000309693198 400132110 /nfs/dbraw/zinc/13/21/10/400132110.db2.gz MLQPAWTVSUTINW-PLNGDYQASA-N 1 0 312.360 3.135 50 0 DGAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc(Br)c1 ZINC000022078149 400198197 /nfs/dbraw/zinc/19/81/97/400198197.db2.gz PRBCIHVYPSKWBP-IUODEOHRSA-N 1 0 309.251 3.118 50 0 DGAARO FC(F)(F)[C@H]1CCCn2c(C[NH2+]C3CCCCC3)nnc21 ZINC000095402049 400274255 /nfs/dbraw/zinc/27/42/55/400274255.db2.gz 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ZINC000071882225 400372247 /nfs/dbraw/zinc/37/22/47/400372247.db2.gz LQTXGYFNSLUSRN-KGLIPLIRSA-N 1 0 313.405 3.222 50 0 DGAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2nc(C)n3ccccc23)C1 ZINC000072123984 400374770 /nfs/dbraw/zinc/37/47/70/400374770.db2.gz KJGVKMOIEMECNW-QGZVFWFLSA-N 1 0 323.444 3.060 50 0 DGAARO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1sccc1SC(F)F ZINC000072271274 400376982 /nfs/dbraw/zinc/37/69/82/400376982.db2.gz ADQOYTBRTBGIEW-SECBINFHSA-N 1 0 320.430 3.087 50 0 DGAARO CCn1ccc2ccc(NC(=O)N3CC[C@H](C[NH+](C)C)C3)cc21 ZINC000127043818 400498692 /nfs/dbraw/zinc/49/86/92/400498692.db2.gz FCKSYWRVRTVIMY-CQSZACIVSA-N 1 0 314.433 3.077 50 0 DGAARO COCc1ccc([C@@H]2CCCN2CC[NH+]2CCC(C)CC2)o1 ZINC000131388172 400549760 /nfs/dbraw/zinc/54/97/60/400549760.db2.gz YVDUEVXTOUASHQ-KRWDZBQOSA-N 1 0 306.450 3.295 50 0 DGAARO O=C(/C=C/c1cccs1)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618257026 400553541 /nfs/dbraw/zinc/55/35/41/400553541.db2.gz PJECBNURROMBLQ-XGACYXMMSA-N 1 0 318.467 3.214 50 0 DGAARO 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/nfs/dbraw/zinc/32/47/64/431324764.db2.gz JBBDURRRSRDHQN-WMZOPIPTSA-N 1 0 323.477 3.377 50 0 DGAARO CCOc1ccc(-c2nc(C[NH2+][C@H](C)COC)cs2)cc1 ZINC000007004735 431328138 /nfs/dbraw/zinc/32/81/38/431328138.db2.gz JNHXBIFZNYTFSM-GFCCVEGCSA-N 1 0 306.431 3.333 50 0 DGAARO Cc1cc2nc(C)cc(NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2n1 ZINC000072431242 431336659 /nfs/dbraw/zinc/33/66/59/431336659.db2.gz WXQCMLYVJTYYKB-JKSUJKDBSA-N 1 0 313.449 3.023 50 0 DGAARO CCCOc1ccc(C2[N+](=O)[C@@](C)(CC)N(O)C2(C)C)cc1 ZINC000007813433 431364724 /nfs/dbraw/zinc/36/47/24/431364724.db2.gz HSFXFGVFVUCMRZ-QGZVFWFLSA-N 1 0 306.406 3.384 50 0 DGAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NCc1ccccc1 ZINC000007788127 431366063 /nfs/dbraw/zinc/36/60/63/431366063.db2.gz OSSBBZDGADOWNU-UHFFFAOYSA-N 1 0 322.452 3.258 50 0 DGAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc(F)c(F)c1 ZINC000008187823 431385786 /nfs/dbraw/zinc/38/57/86/431385786.db2.gz BUNYGXSEUMBLAI-QWHCGFSZSA-N 1 0 308.372 3.415 50 0 DGAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000008328272 431394786 /nfs/dbraw/zinc/39/47/86/431394786.db2.gz SDAWAFPNWRNNSF-IIYDPXPESA-N 1 0 317.433 3.140 50 0 DGAARO O=C(Nc1ccccc1F)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008755956 431409985 /nfs/dbraw/zinc/40/99/85/431409985.db2.gz OSFOQGZVJBXGMN-OAHLLOKOSA-N 1 0 313.376 3.222 50 0 DGAARO C[C@@H](OC[C@H](O)C[NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000009579358 431439939 /nfs/dbraw/zinc/43/99/39/431439939.db2.gz KLNOGOPYBVDDRJ-IUODEOHRSA-N 1 0 309.793 3.161 50 0 DGAARO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2c(C)noc2C)n1 ZINC000075131836 431452776 /nfs/dbraw/zinc/45/27/76/431452776.db2.gz ISLOMAYRQBDUGC-INIZCTEOSA-N 1 0 302.422 3.159 50 0 DGAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(C)(C)C)CC1 ZINC000009471035 431435982 /nfs/dbraw/zinc/43/59/82/431435982.db2.gz HRYSDVHXTSUCLH-UHFFFAOYSA-N 1 0 309.841 3.076 50 0 DGAARO O=C(C[NH+]1CCCCCCC1)Nc1ccc(N2CCCC2)cc1 ZINC000012546179 431516982 /nfs/dbraw/zinc/51/69/82/431516982.db2.gz BOTHPVSHHKITMS-UHFFFAOYSA-N 1 0 315.461 3.491 50 0 DGAARO C[C@@H](C(=O)N1CCCC[C@H]1c1nccs1)[NH+]1CCCCCC1 ZINC000076042857 431517744 /nfs/dbraw/zinc/51/77/44/431517744.db2.gz WPTAYNUWBKOJFH-GJZGRUSLSA-N 1 0 321.490 3.461 50 0 DGAARO COC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012575393 431520689 /nfs/dbraw/zinc/52/06/89/431520689.db2.gz TXKWOCPWGGBXMT-LBPRGKRZSA-N 1 0 321.808 3.248 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000012760692 431526382 /nfs/dbraw/zinc/52/63/82/431526382.db2.gz SVTMYFSTVMOJMI-GASCZTMLSA-N 1 0 318.465 3.305 50 0 DGAARO O=C(NCCc1ccco1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012782782 431529134 /nfs/dbraw/zinc/52/91/34/431529134.db2.gz SGCZAYAMINXGHU-UHFFFAOYSA-N 1 0 312.413 3.238 50 0 DGAARO O=C(/C=C/c1ccco1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011818603 431484376 /nfs/dbraw/zinc/48/43/76/431484376.db2.gz HAJYYMDXHURPMK-ZGKFYVQTSA-N 1 0 324.424 3.116 50 0 DGAARO Cc1ccc(-n2cc(C[NH2+]CCO)c(-c3cccc(C)c3)n2)cc1 ZINC000011934962 431486659 /nfs/dbraw/zinc/48/66/59/431486659.db2.gz ZPIATUQXWALXJM-UHFFFAOYSA-N 1 0 321.424 3.238 50 0 DGAARO C[NH+](C)C1(CNC(=O)COc2ccc(Cl)cc2)CCCCC1 ZINC000011916276 431488529 /nfs/dbraw/zinc/48/85/29/431488529.db2.gz YGQPIEDLOXXPAY-UHFFFAOYSA-N 1 0 324.852 3.100 50 0 DGAARO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000012027248 431491536 /nfs/dbraw/zinc/49/15/36/431491536.db2.gz KNKNICLHXBDPNG-OAHLLOKOSA-N 1 0 304.365 3.136 50 0 DGAARO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000012300993 431499091 /nfs/dbraw/zinc/49/90/91/431499091.db2.gz NQZNHFBGCMVZGW-INIZCTEOSA-N 1 0 301.409 3.404 50 0 DGAARO CC(C)Oc1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000012382549 431503214 /nfs/dbraw/zinc/50/32/14/431503214.db2.gz AHCFJKZCZDMVRK-UHFFFAOYSA-N 1 0 304.434 3.076 50 0 DGAARO CC(C)c1ccc(OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012383043 431503592 /nfs/dbraw/zinc/50/35/92/431503592.db2.gz GSCUQACLKPZPHN-UHFFFAOYSA-N 1 0 318.461 3.178 50 0 DGAARO C[C@@H](C[NH+]1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000012383480 431504964 /nfs/dbraw/zinc/50/49/64/431504964.db2.gz ZDRURAYMFQIRTK-INIZCTEOSA-N 1 0 300.446 3.125 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)o1 ZINC000012385691 431506342 /nfs/dbraw/zinc/50/63/42/431506342.db2.gz MNPJVVDBAPMXRV-MRXNPFEDSA-N 1 0 304.434 3.203 50 0 DGAARO C[C@H]1CCC[N@H+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000012414171 431506656 /nfs/dbraw/zinc/50/66/56/431506656.db2.gz HYFKIRCASFBQCZ-RZVNPHJZSA-N 1 0 307.478 3.065 50 0 DGAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c1 ZINC000013594659 431561326 /nfs/dbraw/zinc/56/13/26/431561326.db2.gz HADIMDRPQFYOJG-QGZVFWFLSA-N 1 0 324.424 3.494 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccccc1)c1ccsc1 ZINC000013011175 431543302 /nfs/dbraw/zinc/54/33/02/431543302.db2.gz FQXIVKDBRAIHPA-INIZCTEOSA-N 1 0 302.443 3.100 50 0 DGAARO O=C(Nc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013679469 431564592 /nfs/dbraw/zinc/56/45/92/431564592.db2.gz TUFHALIBRBTFEW-UHFFFAOYSA-N 1 0 324.380 3.263 50 0 DGAARO C[NH+]1CCC(NC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000013775563 431568806 /nfs/dbraw/zinc/56/88/06/431568806.db2.gz CIAQXIAKKFXVNR-UHFFFAOYSA-N 1 0 318.273 3.374 50 0 DGAARO CC(C)c1nccc(C[NH+]2CCC(CCn3cccn3)CC2)n1 ZINC000077524057 431604760 /nfs/dbraw/zinc/60/47/60/431604760.db2.gz PHWFNNXEICOMHH-UHFFFAOYSA-N 1 0 313.449 3.099 50 0 DGAARO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000097229023 280403881 /nfs/dbraw/zinc/40/38/81/280403881.db2.gz PXNFICQFUHTLEC-GOSISDBHSA-N 1 0 323.440 3.016 50 0 DGAARO c1ccc(C[N@@H+]2CCC[C@@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000077287914 431580913 /nfs/dbraw/zinc/58/09/13/431580913.db2.gz UFTRKQJNCBJASP-HXUWFJFHSA-N 1 0 322.456 3.359 50 0 DGAARO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000077407095 431591423 /nfs/dbraw/zinc/59/14/23/431591423.db2.gz WZWAOYHSHVWSCI-MRXNPFEDSA-N 1 0 321.428 3.190 50 0 DGAARO CC(=O)NCC1CC[NH+](Cc2ccc(CC(C)C)s2)CC1 ZINC000077389962 431592654 /nfs/dbraw/zinc/59/26/54/431592654.db2.gz PRENCFVCPCNJMK-UHFFFAOYSA-N 1 0 308.491 3.295 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc(F)c1)c1ccsc1 ZINC000025329094 431651957 /nfs/dbraw/zinc/65/19/57/431651957.db2.gz DDRVPWIOGWOJLM-AWEZNQCLSA-N 1 0 310.369 3.059 50 0 DGAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2F)cc2c1OCCO2 ZINC000025363115 431654750 /nfs/dbraw/zinc/65/47/50/431654750.db2.gz RDEPEMMZGLLGDU-LBPRGKRZSA-N 1 0 317.360 3.456 50 0 DGAARO O=C(C1CC[NH+](Cc2cccc3cccnc32)CC1)N1CCCC1 ZINC000025437615 431658011 /nfs/dbraw/zinc/65/80/11/431658011.db2.gz OHSIXPVPPSSJMH-UHFFFAOYSA-N 1 0 323.440 3.069 50 0 DGAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000016074821 431609397 /nfs/dbraw/zinc/60/93/97/431609397.db2.gz AKGPYHXWYUAVIS-MAUKXSAKSA-N 1 0 323.481 3.059 50 0 DGAARO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)[NH+]1CCN(C)CC1 ZINC000020192855 431622740 /nfs/dbraw/zinc/62/27/40/431622740.db2.gz BLYAYCLKDQAOOO-FQEVSTJZSA-N 1 0 320.440 3.208 50 0 DGAARO c1cnn(-c2ccc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)cc2)c1 ZINC000025948602 431669408 /nfs/dbraw/zinc/66/94/08/431669408.db2.gz RTZDSWSQTCRQOF-HXUWFJFHSA-N 1 0 319.408 3.446 50 0 DGAARO C[C@H](NCc1ccco1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000078553316 431683344 /nfs/dbraw/zinc/68/33/44/431683344.db2.gz WBCWDGWVYPPERP-AWEZNQCLSA-N 1 0 317.408 3.021 50 0 DGAARO Cc1n[nH]cc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000078553801 431683535 /nfs/dbraw/zinc/68/35/35/431683535.db2.gz JOWBTWZSJLEJGJ-AWEZNQCLSA-N 1 0 306.207 3.258 50 0 DGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000027584293 431688592 /nfs/dbraw/zinc/68/85/92/431688592.db2.gz OGSAGAZKMSPMJL-HNNXBMFYSA-N 1 0 318.417 3.454 50 0 DGAARO CCC(CC)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000027747135 431694479 /nfs/dbraw/zinc/69/44/79/431694479.db2.gz CJNQDUUKUXFEEZ-SFHVURJKSA-N 1 0 318.461 3.385 50 0 DGAARO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)o1 ZINC000030902312 431746186 /nfs/dbraw/zinc/74/61/86/431746186.db2.gz VBRKQIZXGWSQDF-XJKSGUPXSA-N 1 0 308.385 3.274 50 0 DGAARO CCCNC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032769983 431790103 /nfs/dbraw/zinc/79/01/03/431790103.db2.gz AYBAMBLDUNAVOS-CQSZACIVSA-N 1 0 311.429 3.172 50 0 DGAARO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)cc2)cc1 ZINC000032797219 431794073 /nfs/dbraw/zinc/79/40/73/431794073.db2.gz RPBRSLXETUQNFE-KRWDZBQOSA-N 1 0 310.441 3.440 50 0 DGAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000032911497 431799884 /nfs/dbraw/zinc/79/98/84/431799884.db2.gz GKZXFMVAQDEMFH-GOSISDBHSA-N 1 0 312.388 3.220 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000033084734 431805922 /nfs/dbraw/zinc/80/59/22/431805922.db2.gz CQJOBEQFAVNWEM-UHFFFAOYSA-N 1 0 315.417 3.098 50 0 DGAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C/C=C/c2ccccc2)cn1 ZINC000083843453 431811606 /nfs/dbraw/zinc/81/16/06/431811606.db2.gz MWFJJWZDIPFAMI-AWHANYKDSA-N 1 0 311.429 3.284 50 0 DGAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000033359568 431813081 /nfs/dbraw/zinc/81/30/81/431813081.db2.gz YJYHRZROVYCRLS-UHFFFAOYSA-N 1 0 323.440 3.244 50 0 DGAARO C[NH+]1CCC(N[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000031811005 431766945 /nfs/dbraw/zinc/76/69/45/431766945.db2.gz ZUXPDOXLRTVBLN-FQEVSTJZSA-N 1 0 324.424 3.189 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)c1c(C)noc1C)c1ccsc1 ZINC000031988530 431772414 /nfs/dbraw/zinc/77/24/14/431772414.db2.gz ANVLPPMLYLSJQU-CQSZACIVSA-N 1 0 321.446 3.166 50 0 DGAARO c1ccc2[nH]c(C3CCN(CC[NH+]4CCCCC4)CC3)nc2c1 ZINC000036686047 431839929 /nfs/dbraw/zinc/83/99/29/431839929.db2.gz OHTSQKGXQRQGGB-UHFFFAOYSA-N 1 0 312.461 3.228 50 0 DGAARO C[C@@H](CNC(=S)NCc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000036847489 431841477 /nfs/dbraw/zinc/84/14/77/431841477.db2.gz SNMRRVUCTSMAKW-KGLIPLIRSA-N 1 0 323.481 3.053 50 0 DGAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccco1 ZINC000040490130 431856472 /nfs/dbraw/zinc/85/64/72/431856472.db2.gz ZCEYSUOLFPTUAF-UHFFFAOYSA-N 1 0 302.374 3.253 50 0 DGAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049998 431857231 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ZINC000178583686 432755125 /nfs/dbraw/zinc/75/51/25/432755125.db2.gz LQBNPBVVRNJKQZ-INIZCTEOSA-N 1 0 323.440 3.468 50 0 DGAARO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)cc(=O)n2c1 ZINC000230246269 432726886 /nfs/dbraw/zinc/72/68/86/432726886.db2.gz IJWLSHRONAPGEC-DOTOQJQBSA-N 1 0 311.429 3.158 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1sccc1Cl)Cc1ccccc1 ZINC000241961354 432816820 /nfs/dbraw/zinc/81/68/20/432816820.db2.gz URSCAWOJIVSNSP-CYBMUJFWSA-N 1 0 322.861 3.304 50 0 DGAARO OCC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000242047925 432817511 /nfs/dbraw/zinc/81/75/11/432817511.db2.gz VRGCKZLEZLWLDK-JTQLQIEISA-N 1 0 312.129 3.025 50 0 DGAARO Cc1cccnc1CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000244691535 432821606 /nfs/dbraw/zinc/82/16/06/432821606.db2.gz JEPNQNYHCIDTCK-FQEVSTJZSA-N 1 0 321.468 3.065 50 0 DGAARO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)C[C@H]1CCCCO1 ZINC000244633716 432821882 /nfs/dbraw/zinc/82/18/82/432821882.db2.gz GIJKCDKWKHLBDS-GOSISDBHSA-N 1 0 316.445 3.005 50 0 DGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000244734805 432822243 /nfs/dbraw/zinc/82/22/43/432822243.db2.gz NMGHPTLCGDGFNZ-CQSZACIVSA-N 1 0 308.385 3.195 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2scc(C)c2Cl)CC1 ZINC000240626711 432815863 /nfs/dbraw/zinc/81/58/63/432815863.db2.gz HITZIMBRBZJMQO-UHFFFAOYSA-N 1 0 300.855 3.314 50 0 DGAARO COc1cc2nc(/C=C/c3cn(C)cn3)sc2cc1OC ZINC000330031574 432890008 /nfs/dbraw/zinc/89/00/08/432890008.db2.gz AMMKAAOTPOJTPS-SNAWJCMRSA-N 1 0 301.371 3.217 50 0 DGAARO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccoc1Cl ZINC000280619225 433110231 /nfs/dbraw/zinc/11/02/31/433110231.db2.gz BKVXZPOYURQAGR-CYBMUJFWSA-N 1 0 310.825 3.460 50 0 DGAARO C[NH+]1CCC(NC(=O)N2CCCC3(CCCCC3)CC2)CC1 ZINC000253398423 289883975 /nfs/dbraw/zinc/88/39/75/289883975.db2.gz VMPIJKNTCQTUFO-UHFFFAOYSA-N 1 0 307.482 3.227 50 0 DGAARO O=C(NCC[NH+]1CCCC1)Nc1cccc(-c2cscn2)c1 ZINC000299774156 433382654 /nfs/dbraw/zinc/38/26/54/433382654.db2.gz BLDXQKQPKBDFFG-UHFFFAOYSA-N 1 0 316.430 3.027 50 0 DGAARO 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CCOc1cc(Cl)ccc1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161681503 323214577 /nfs/dbraw/zinc/21/45/77/323214577.db2.gz RLECGRSJVFNMJJ-UHFFFAOYSA-N 1 0 324.852 3.276 50 0 DGAARO C[C@H](C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000195573455 323492665 /nfs/dbraw/zinc/49/26/65/323492665.db2.gz JDEQKWVWWXOPSE-HZPDHXFCSA-N 1 0 321.436 3.447 50 0 DGAARO Cn1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1=O ZINC000042112310 331690085 /nfs/dbraw/zinc/69/00/85/331690085.db2.gz KFHXHQYIILLZJD-UHFFFAOYSA-N 1 0 304.393 3.265 50 0 DGAARO CCOC(=O)N1CC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CC2)C1 ZINC000534642217 334305809 /nfs/dbraw/zinc/30/58/09/334305809.db2.gz WKFOMBBFHQHJLC-HNNXBMFYSA-N 1 0 322.836 3.236 50 0 DGAARO Cc1nccn1C[C@H](C)[NH2+]CCc1nc2ccccc2s1 ZINC000534652454 334312661 /nfs/dbraw/zinc/31/26/61/334312661.db2.gz TUUFVAPUDZVGOL-LBPRGKRZSA-N 1 0 300.431 3.022 50 0 DGAARO CC[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1ccccn1 ZINC000534657431 334314514 /nfs/dbraw/zinc/31/45/14/334314514.db2.gz RQWFTYILWVLCOI-OAHLLOKOSA-N 1 0 301.434 3.058 50 0 DGAARO C[C@@H](c1cccc(-c2cc(-n3cccn3)ncn2)c1)[NH+]1CCCC1 ZINC000534664677 334318134 /nfs/dbraw/zinc/31/81/34/334318134.db2.gz IUWFNHNNELXYNO-HNNXBMFYSA-N 1 0 319.412 3.486 50 0 DGAARO Cn1c(C[NH2+][C@H]2CCO[C@H]2c2ccccc2)nc2ccccc21 ZINC000096447540 501017680 /nfs/dbraw/zinc/01/76/80/501017680.db2.gz CJTQCXZRSJKVRQ-LPHOPBHVSA-N 1 0 307.397 3.193 50 0 DGAARO O=C1Nc2ccccc2NC12CC[NH+](CC1CCCCC1)CC2 ZINC000082097799 501080091 /nfs/dbraw/zinc/08/00/91/501080091.db2.gz ZDPQXAMCVHMPGA-UHFFFAOYSA-N 1 0 313.445 3.466 50 0 DGAARO CCC(=O)Nc1nc(-c2ccccc2OCC[NH+](C)C)cs1 ZINC000071487072 521230743 /nfs/dbraw/zinc/23/07/43/521230743.db2.gz OKJPHEDDLQSMBH-UHFFFAOYSA-N 1 0 319.430 3.099 50 0 DGAARO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000075552401 545730205 /nfs/dbraw/zinc/73/02/05/545730205.db2.gz AMUGTCOOZDZJRE-MRXNPFEDSA-N 1 0 309.417 3.159 50 0 DGAARO CCc1cc2c(ncnc2N2CC[NH+](CCC(C)C)CC2)s1 ZINC000083820546 545781016 /nfs/dbraw/zinc/78/10/16/545781016.db2.gz IGMDUSLTWFKPDV-UHFFFAOYSA-N 1 0 318.490 3.422 50 0 DGAARO Cc1cc(C)c(NC(=S)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000084074963 545783310 /nfs/dbraw/zinc/78/33/10/545783310.db2.gz OUTBZHGJUFWRCA-GFCCVEGCSA-N 1 0 323.893 3.480 50 0 DGAARO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000084714849 545793525 /nfs/dbraw/zinc/79/35/25/545793525.db2.gz ZQYZBBYDDZOQAU-KDOFPFPSSA-N 1 0 302.462 3.331 50 0 DGAARO CC[N@@H+]1CC[C@@H](CNCc2csc(-c3ccsc3)n2)C1 ZINC000084780038 545793728 /nfs/dbraw/zinc/79/37/28/545793728.db2.gz UXYJHBQZGOYZRX-LBPRGKRZSA-N 1 0 307.488 3.303 50 0 DGAARO Cn1cccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000097941073 545866065 /nfs/dbraw/zinc/86/60/65/545866065.db2.gz HUZRYELYHYFGEB-OAHLLOKOSA-N 1 0 308.385 3.065 50 0 DGAARO [NH3+][C@H](C(=O)Nc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000170070793 546100289 /nfs/dbraw/zinc/10/02/89/546100289.db2.gz WSZQUVBMBHMPCD-HNNXBMFYSA-N 1 0 309.394 3.449 50 0 DGAARO O=C(/C=C/c1cccs1)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575611972 547016055 /nfs/dbraw/zinc/01/60/55/547016055.db2.gz HQMDNJJVXNROKM-LLYBFZRZSA-N 1 0 314.410 3.226 50 0 DGAARO COc1cccc(N2CC[N@H+](CC[C@H]3CCOC3)CC2(C)C)c1 ZINC000670434642 547753535 /nfs/dbraw/zinc/75/35/35/547753535.db2.gz SETQKFZMMXGSHH-INIZCTEOSA-N 1 0 318.461 3.022 50 0 DGAARO CNC(=O)C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(C)o2)C1 ZINC000670453280 547756084 /nfs/dbraw/zinc/75/60/84/547756084.db2.gz GHHUWRFOLLZWSC-HNNXBMFYSA-N 1 0 312.413 3.213 50 0 DGAARO Cc1ccc(SC2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000670451523 547756194 /nfs/dbraw/zinc/75/61/94/547756194.db2.gz ZFGJTTWNKGDRGH-OAHLLOKOSA-N 1 0 318.486 3.220 50 0 DGAARO Cn1nccc1C1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000682239651 549306377 /nfs/dbraw/zinc/30/63/77/549306377.db2.gz BLIONHLVPDKMSH-UHFFFAOYSA-N 1 0 308.385 3.058 50 0 DGAARO CC1=CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299758888 563805080 /nfs/dbraw/zinc/80/50/80/563805080.db2.gz FAHFMELBPGFPSD-UHFFFAOYSA-N 1 0 312.457 3.467 50 0 DGAARO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000239761416 563880334 /nfs/dbraw/zinc/88/03/34/563880334.db2.gz CJVLKOWSASLNRI-CBBWQLFWSA-N 1 0 301.496 3.147 50 0 DGAARO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccccc2)c2ccc(F)cc2n1 ZINC000170048243 563902845 /nfs/dbraw/zinc/90/28/45/563902845.db2.gz VDJPCUIMOOWGKY-KRWDZBQOSA-N 1 0 323.371 3.112 50 0 DGAARO COc1ccc([C@@H]2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000170050480 563903232 /nfs/dbraw/zinc/90/32/32/563903232.db2.gz VOBXXFMDMYUACM-IEBWSBKVSA-N 1 0 324.424 3.101 50 0 DGAARO CC[C@@H]1CC[C@H]([NH2+]Cc2nnc3n2CCC[C@H]3C(F)(F)F)C1 ZINC000299754123 563938927 /nfs/dbraw/zinc/93/89/27/563938927.db2.gz WTLRNINHCAGIAS-GRYCIOLGSA-N 1 0 316.371 3.386 50 0 DGAARO CC(=O)N(C[C@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCCCC1 ZINC000034740213 563961928 /nfs/dbraw/zinc/96/19/28/563961928.db2.gz PWUCUXOGOVBUAZ-MJGOQNOKSA-N 1 0 300.446 3.171 50 0 DGAARO C[NH+](C)CC1(c2nc(-c3cccc(Br)c3)no2)CC1 ZINC000874435223 620715990 /nfs/dbraw/zinc/71/59/90/620715990.db2.gz NLYWYWYPDJCPRN-UHFFFAOYSA-N 1 0 322.206 3.092 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ncc(Cl)n1C ZINC000888098643 618625572 /nfs/dbraw/zinc/62/55/72/618625572.db2.gz MNQJPFSYQOSURJ-NSHDSACASA-N 1 0 317.824 3.082 50 0 DGAARO CC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(OC)n1 ZINC000863983298 621724152 /nfs/dbraw/zinc/72/41/52/621724152.db2.gz FFXQETZFANJFEQ-SJORKVTESA-N 1 0 314.429 3.297 50 0 DGAARO c1ccc2[nH]c(CCC[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)nc2c1 ZINC000864096824 621736211 /nfs/dbraw/zinc/73/62/11/621736211.db2.gz JLDVCQUSNNHONC-KXBFYZLASA-N 1 0 313.445 3.290 50 0 DGAARO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000809690682 626936712 /nfs/dbraw/zinc/93/67/12/626936712.db2.gz CARHCZVFAYGBDH-HNNXBMFYSA-N 1 0 315.417 3.269 50 0 DGAARO CCc1ccc2occ(C(=O)N3C[C@H]4CC[N@H+](C)C[C@@H]4C3)c2c1 ZINC000812340351 627372011 /nfs/dbraw/zinc/37/20/11/627372011.db2.gz FUAGYEHPEWFDBE-HUUCEWRRSA-N 1 0 312.413 3.019 50 0 DGAARO c1nnc(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000257196482 660337803 /nfs/dbraw/zinc/33/78/03/660337803.db2.gz YHKZXLITLJERLB-SFHVURJKSA-N 1 0 318.424 3.332 50 0 DGAARO COc1ccc(-n2ncc([C@H](C)[NH2+]C3CCOCC3)c2C)cc1 ZINC000011753776 660474275 /nfs/dbraw/zinc/47/42/75/660474275.db2.gz VHDUZIVTGDCOLZ-ZDUSSCGKSA-N 1 0 315.417 3.019 50 0 DGAARO O=C(CCC(F)(F)F)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012707707 660516391 /nfs/dbraw/zinc/51/63/91/660516391.db2.gz XCKVPTKZSQPWIA-CQSZACIVSA-N 1 0 320.399 3.490 50 0 DGAARO Fc1ccc(Oc2ncccc2C[NH2+]C[C@@H]2CCOC2)c(F)c1 ZINC000012439409 660595281 /nfs/dbraw/zinc/59/52/81/660595281.db2.gz YJMUNHGMZXSFJF-LBPRGKRZSA-N 1 0 320.339 3.278 50 0 DGAARO CSCCC[N@@H+]1CCC[C@](CO)(CCOc2ccccc2)C1 ZINC000012595409 660949042 /nfs/dbraw/zinc/94/90/42/660949042.db2.gz RTIODFIRVFMJKO-SFHVURJKSA-N 1 0 323.502 3.283 50 0 DGAARO C[C@H](C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1)n1cnc2ccccc21 ZINC000020539050 656072024 /nfs/dbraw/zinc/07/20/24/656072024.db2.gz MZNUFSDPRSYSQX-IAGOWNOFSA-N 1 0 323.444 3.206 50 0 DGAARO CN(C(=O)C1CC[NH+](C2CC2)CC1)c1cccc2ncccc21 ZINC000192788338 656181769 /nfs/dbraw/zinc/18/17/69/656181769.db2.gz NFYHDRSJLQIIDT-UHFFFAOYSA-N 1 0 309.413 3.072 50 0 DGAARO CC[NH+](CC)CC(=O)N[C@]1(C)CCCC[C@@H]1c1ccc(O)cc1 ZINC000004829026 656387050 /nfs/dbraw/zinc/38/70/50/656387050.db2.gz UQINWEHNZRTUQN-IEBWSBKVSA-N 1 0 318.461 3.267 50 0 DGAARO CC(C)Cc1ccc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)cc1 ZINC000039388113 656534443 /nfs/dbraw/zinc/53/44/43/656534443.db2.gz ZBYDDEPUGCDTBC-HXUWFJFHSA-N 1 0 318.505 3.162 50 0 DGAARO Cc1ccc(CNc2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)s1 ZINC000039461390 656535154 /nfs/dbraw/zinc/53/51/54/656535154.db2.gz JRXSKCLGUOVPFE-CYBMUJFWSA-N 1 0 302.447 3.234 50 0 DGAARO C[C@H](C(=O)N(C)Cc1cccc2cnccc21)[NH+]1CCCCC1 ZINC000426712199 657103473 /nfs/dbraw/zinc/10/34/73/657103473.db2.gz SLVDIDRMOOFFJA-OAHLLOKOSA-N 1 0 311.429 3.068 50 0 DGAARO c1cc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)co1 ZINC000012756303 657579681 /nfs/dbraw/zinc/57/96/81/657579681.db2.gz HLBZMGTVDFCIIF-INIZCTEOSA-N 1 0 306.369 3.299 50 0 DGAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@H]1CO ZINC000014970550 658004711 /nfs/dbraw/zinc/00/47/11/658004711.db2.gz VKBNFKZRNHVRQU-LBPRGKRZSA-N 1 0 306.793 3.260 50 0 DGAARO Cc1cc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccccc2C)[nH]1 ZINC000067784285 658444815 /nfs/dbraw/zinc/44/48/15/658444815.db2.gz NEPGWTLPSAJKIL-UHFFFAOYSA-N 1 0 313.445 3.144 50 0 DGAARO FC(F)Oc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000020386660 658712728 /nfs/dbraw/zinc/71/27/28/658712728.db2.gz JTXYPIMFTKYHEA-AWEZNQCLSA-N 1 0 305.324 3.381 50 0 DGAARO c1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)n[nH]1 ZINC000020854399 658723430 /nfs/dbraw/zinc/72/34/30/658723430.db2.gz CQIDXYPMIVTWPG-OAHLLOKOSA-N 1 0 307.401 3.179 50 0 DGAARO C[C@H](Nc1ncnc2c1CC[NH2+]C2)c1ccc2c(c1)CCCC2 ZINC000067804890 658764005 /nfs/dbraw/zinc/76/40/05/658764005.db2.gz UZSDDVGKBVGYHX-ZDUSSCGKSA-N 1 0 308.429 3.174 50 0 DGAARO Oc1cccc2ccc(C[N@@H+]3CCC[C@@H](Cn4ccnc4)C3)nc12 ZINC000067822156 658778074 /nfs/dbraw/zinc/77/80/74/658778074.db2.gz HHAHOUUHQDPOEN-OAHLLOKOSA-N 1 0 322.412 3.049 50 0 DGAARO CC(C)C1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000174494643 659436646 /nfs/dbraw/zinc/43/66/46/659436646.db2.gz NHTSVYUVMLJABK-GOSISDBHSA-N 1 0 302.462 3.054 50 0 DGAARO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000181150684 659984013 /nfs/dbraw/zinc/98/40/13/659984013.db2.gz HABVPBJOPIKVEX-UHFFFAOYSA-N 1 0 313.397 3.188 50 0 DGAARO CC1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000192502910 662101189 /nfs/dbraw/zinc/10/11/89/662101189.db2.gz YSWGURGHUWNPCL-YVNUBYTISA-N 1 0 300.446 3.422 50 0 DGAARO COCC[N@@H+]1CCC[C@@H]1COC(=O)/C=C/c1ccc(Cl)cc1 ZINC000083902876 662197528 /nfs/dbraw/zinc/19/75/28/662197528.db2.gz GWKBDGDXAAQSLI-YXMGTMDOSA-N 1 0 323.820 3.007 50 0 DGAARO CC(C)Cn1cncc1C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000952969474 662209211 /nfs/dbraw/zinc/20/92/11/662209211.db2.gz NSAYWZYRZAOMPN-UHFFFAOYSA-N 1 0 323.444 3.074 50 0 DGAARO C[NH+](C)Cc1cccc(C(=O)Nc2cccc(-c3c[nH]cn3)c2)c1 ZINC000952983369 662210298 /nfs/dbraw/zinc/21/02/98/662210298.db2.gz PSQGIBLCYKVIKK-UHFFFAOYSA-N 1 0 320.396 3.391 50 0 DGAARO CCCN1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(C)o2)CC1=O ZINC000952990448 662210563 /nfs/dbraw/zinc/21/05/63/662210563.db2.gz YGGYRCMTKYJJFH-INIZCTEOSA-N 1 0 312.413 3.356 50 0 DGAARO C[C@@H](CO)C[N@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000063834529 685052943 /nfs/dbraw/zinc/05/29/43/685052943.db2.gz LCFFESMWYOQBOT-OAHLLOKOSA-N 1 0 313.397 3.046 50 0 DGAARO Cc1c(C[NH2+]CCCn2ccc3ccccc32)cc(C#N)n1C ZINC000072726235 685059897 /nfs/dbraw/zinc/05/98/97/685059897.db2.gz ROYFJBFQTGALSD-UHFFFAOYSA-N 1 0 306.413 3.340 50 0 DGAARO Cc1nccn1CCCN1CCOc2ccc(Cl)cc2C1 ZINC001506401158 1186221367 /nfs/dbraw/zinc/22/13/67/1186221367.db2.gz IGRWKBJTMGPGCV-UHFFFAOYSA-N 1 0 305.809 3.130 50 0 DGAARO O=C1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CCN1CC1CC1 ZINC001506412503 1186223898 /nfs/dbraw/zinc/22/38/98/1186223898.db2.gz ZFMLDEZVKDSFJA-CQSZACIVSA-N 1 0 324.827 3.360 50 0 DGAARO Cc1ccc(N2CC[C@@H](C[NH2+]C3CSCCSC3)C2)cc1 ZINC001506410879 1186224546 /nfs/dbraw/zinc/22/45/46/1186224546.db2.gz YFYRQTPQHKBDCS-HNNXBMFYSA-N 1 0 322.543 3.260 50 0 DGAARO CCCCCCNC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC001506412803 1186224563 /nfs/dbraw/zinc/22/45/63/1186224563.db2.gz FHCRKZXALVKZOE-UHFFFAOYSA-N 1 0 318.465 3.192 50 0 DGAARO Cc1cc(C)n(C[C@H](C)[NH2+]C2(c3cc(F)cc(F)c3)CC2)n1 ZINC001506413608 1186224733 /nfs/dbraw/zinc/22/47/33/1186224733.db2.gz RXGSFYVPFFRZBU-LBPRGKRZSA-N 1 0 305.372 3.446 50 0 DGAARO Cc1cc(C)n(C2C[NH+](C3CCN(c4ccc(C)cc4)CC3)C2)n1 ZINC001506428194 1186226477 /nfs/dbraw/zinc/22/64/77/1186226477.db2.gz ODOSRPVPRKJSCA-UHFFFAOYSA-N 1 0 324.472 3.334 50 0 DGAARO Cc1cc(F)ccc1N1CCC([NH2+]C[C@H]2CCCCN2C)CC1 ZINC001506425882 1186226558 /nfs/dbraw/zinc/22/65/58/1186226558.db2.gz SICUYLLKIDSETP-GOSISDBHSA-N 1 0 319.468 3.177 50 0 DGAARO Cc1cc(F)ccc1N1CCC([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC001506425885 1186226632 /nfs/dbraw/zinc/22/66/32/1186226632.db2.gz SICUYLLKIDSETP-SFHVURJKSA-N 1 0 319.468 3.177 50 0 DGAARO CC[C@H]([NH2+]C1CCN(c2ccc(C)cc2)CC1)c1nc(C)no1 ZINC001506421360 1186226758 /nfs/dbraw/zinc/22/67/58/1186226758.db2.gz FOGVMOOEEILZNG-KRWDZBQOSA-N 1 0 314.433 3.396 50 0 DGAARO COC[C@@H](c1ccccn1)N(C)Cc1ccc(OC)c(F)c1 ZINC001506426620 1186227095 /nfs/dbraw/zinc/22/70/95/1186227095.db2.gz SQJZPIAIAAPJTL-INIZCTEOSA-N 1 0 304.365 3.049 50 0 DGAARO Cc1cnc(C)c(N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC001529102062 1187532537 /nfs/dbraw/zinc/53/25/37/1187532537.db2.gz UZKXATPBCWZMLZ-MRXNPFEDSA-N 1 0 314.408 3.309 50 0 DGAARO C[N@H+](CCn1cc(Cl)cn1)Cc1cccc2cnccc21 ZINC001529168641 1187538568 /nfs/dbraw/zinc/53/85/68/1187538568.db2.gz JKRPRDRRJHFDCD-UHFFFAOYSA-N 1 0 300.793 3.217 50 0 DGAARO CSc1cccc(C[NH+]2CCC3(CC2)C[C@@](C)(O)CCO3)c1 ZINC001704313677 1202520473 /nfs/dbraw/zinc/52/04/73/1202520473.db2.gz MZTWDLQMYKUZIC-KRWDZBQOSA-N 1 0 321.486 3.305 50 0 DGAARO Clc1cnn(CC[N@@H+]2CCCC[C@@H]2CCc2ccccn2)c1 ZINC001704347414 1202522165 /nfs/dbraw/zinc/52/21/65/1202522165.db2.gz KWOCTHSRPPGVJB-QGZVFWFLSA-N 1 0 318.852 3.419 50 0 DGAARO COc1cc(C)c(C[N@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)cc1C ZINC001704357307 1202523135 /nfs/dbraw/zinc/52/31/35/1202523135.db2.gz PIUDZBWJPBICPP-LVYXFOGZSA-N 1 0 303.446 3.293 50 0 DGAARO C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C[NH3+])ccc2O1 ZINC001481528717 1084083165 /nfs/dbraw/zinc/08/31/65/1084083165.db2.gz KHSZNRSBQUUZBQ-CYBMUJFWSA-N 1 0 305.381 3.321 50 0 DGAARO CCCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC[C@H]2C)n1 ZINC000048488746 1087959307 /nfs/dbraw/zinc/95/93/07/1087959307.db2.gz XUZHFYBYOJJDAY-CQSZACIVSA-N 1 0 311.429 3.374 50 0 DGAARO COc1ccc(Cl)cc1-n1nc(C)nc1[C@@H]1CCC[C@H]([NH3+])C1 ZINC000824745505 1091725764 /nfs/dbraw/zinc/72/57/64/1091725764.db2.gz FPFIBTXPNASVHB-YPMHNXCESA-N 1 0 320.824 3.223 50 0 DGAARO CC(C)(C(=O)Nc1cccc(C[NH+]2CCCC2)c1)n1cccc1 ZINC000827654354 1091774786 /nfs/dbraw/zinc/77/47/86/1091774786.db2.gz LXNZEDZMXFPYEO-UHFFFAOYSA-N 1 0 311.429 3.458 50 0 DGAARO O=C(c1cccc(F)c1)N1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000581788190 1092272590 /nfs/dbraw/zinc/27/25/90/1092272590.db2.gz XDGHSWSBPXQXTI-KRWDZBQOSA-N 1 0 304.409 3.306 50 0 DGAARO Cc1cnc(-c2ccccc2)n1[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000581807986 1092279933 /nfs/dbraw/zinc/27/99/33/1092279933.db2.gz OMUSBLMWEIVIQG-SFHVURJKSA-N 1 0 321.428 3.039 50 0 DGAARO COc1cc(OC)cc(N2CCC([NH2+][C@H]3CCC3(C)C)CC2)c1 ZINC000585081433 1094971557 /nfs/dbraw/zinc/97/15/57/1094971557.db2.gz GZURNXFNFDQUSZ-SFHVURJKSA-N 1 0 318.461 3.451 50 0 DGAARO Cc1cc([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc(C)c1F ZINC000585084931 1094980976 /nfs/dbraw/zinc/98/09/76/1094980976.db2.gz PARFGENKHQNGCL-CQSZACIVSA-N 1 0 304.409 3.248 50 0 DGAARO C[C@H](CC(=O)N1CCC([NH+]2CCC2)CC1)Cc1cccc(F)c1 ZINC000585127662 1095027538 /nfs/dbraw/zinc/02/75/38/1095027538.db2.gz GRSXCDYJAXYLII-HNNXBMFYSA-N 1 0 318.436 3.091 50 0 DGAARO Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC000952845886 1096779556 /nfs/dbraw/zinc/77/95/56/1096779556.db2.gz GGXAKKDTIMDBMY-FQEVSTJZSA-N 1 0 323.440 3.067 50 0 DGAARO CC(C)Cn1cncc1C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000952860058 1096780897 /nfs/dbraw/zinc/78/08/97/1096780897.db2.gz BDIGLKPYDOZEDH-UHFFFAOYSA-N 1 0 323.343 3.150 50 0 DGAARO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@H](CCF)C1 ZINC000952852435 1096781323 /nfs/dbraw/zinc/78/13/23/1096781323.db2.gz UWKVINWCFOVNFO-PBHICJAKSA-N 1 0 321.440 3.030 50 0 DGAARO Clc1cccc(Cl)c1Cc1nnc([C@H]2CCC[NH2+]C2)[nH]1 ZINC000952867499 1096787115 /nfs/dbraw/zinc/78/71/15/1096787115.db2.gz NWBNFJLVVZEHCZ-VIFPVBQESA-N 1 0 311.216 3.169 50 0 DGAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000095495605 185374057 /nfs/dbraw/zinc/37/40/57/185374057.db2.gz NFNACWDXDQTQCQ-ZWKOTPCHSA-N 1 0 313.372 3.214 50 0 DGAARO Cc1cc([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)no1 ZINC000095515337 185376610 /nfs/dbraw/zinc/37/66/10/185376610.db2.gz HPDBDYTVBNMKFE-QGZVFWFLSA-N 1 0 319.449 3.157 50 0 DGAARO c1ccc(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc1 ZINC000078922739 185128974 /nfs/dbraw/zinc/12/89/74/185128974.db2.gz PJHTZOXXXCIKHO-OAHLLOKOSA-N 1 0 306.413 3.380 50 0 DGAARO CC(C)CC1(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000079069066 185153056 /nfs/dbraw/zinc/15/30/56/185153056.db2.gz BQWSRLMXNPVPHO-CALCHBBNSA-N 1 0 324.509 3.208 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccco1)c1ccccc1 ZINC000096943743 185393407 /nfs/dbraw/zinc/39/34/07/185393407.db2.gz BJNPVXNSOUBGGS-SQVRQVGWSA-N 1 0 312.413 3.492 50 0 DGAARO Cc1ccc(C[NH2+]Cc2cccn2C)c(OC[C@@H]2CCOC2)c1 ZINC000088753573 185264206 /nfs/dbraw/zinc/26/42/06/185264206.db2.gz OQEVJTGLEMWMKI-MRXNPFEDSA-N 1 0 314.429 3.039 50 0 DGAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000089948839 185270913 /nfs/dbraw/zinc/27/09/13/185270913.db2.gz PRUTUQJHIAXEIC-CRAIPNDOSA-N 1 0 314.429 3.478 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2csc(C3CC3)n2)[C@@H](CC)C1 ZINC000089949160 185271154 /nfs/dbraw/zinc/27/11/54/185271154.db2.gz ZUJJUNHZHFKKHQ-WFASDCNBSA-N 1 0 321.490 3.147 50 0 DGAARO CCC[C@@H]1CN(c2ccc(-c3ccccc3)nn2)C[C@H]1[NH+](C)C ZINC000082098967 192355015 /nfs/dbraw/zinc/35/50/15/192355015.db2.gz OEGVSYJMTJVIEX-SJLPKXTDSA-N 1 0 310.445 3.310 50 0 DGAARO CCC[C@@H]1C[N@H+](Cc2ccccc2SC)C[C@H]1NC(C)=O ZINC000082138637 192361295 /nfs/dbraw/zinc/36/12/95/192361295.db2.gz LPZOBPKFUWQGOF-GDBMZVCRSA-N 1 0 306.475 3.145 50 0 DGAARO CC(C)c1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c(C(C)C)c1 ZINC000095403634 185355268 /nfs/dbraw/zinc/35/52/68/185355268.db2.gz ALPYNXZYCIZHFJ-OAHLLOKOSA-N 1 0 304.434 3.250 50 0 DGAARO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000095412258 185357825 /nfs/dbraw/zinc/35/78/25/185357825.db2.gz GJIHNXHHEIERHS-DZGCQCFKSA-N 1 0 323.483 3.347 50 0 DGAARO NC(=O)C1CCC(C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000095412281 185357860 /nfs/dbraw/zinc/35/78/60/185357860.db2.gz XHLWRIGXGGUOSV-UHFFFAOYSA-N 1 0 302.443 3.283 50 0 DGAARO C[C@H](CCc1ccco1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000095419374 185359819 /nfs/dbraw/zinc/35/98/19/185359819.db2.gz IWSRMWQSEGVTMT-CQSZACIVSA-N 1 0 316.401 3.088 50 0 DGAARO COCC[NH+]1CCC(N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000095419549 185359957 /nfs/dbraw/zinc/35/99/57/185359957.db2.gz LMVAPFLKLCRTRZ-LJQANCHMSA-N 1 0 314.429 3.069 50 0 DGAARO C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1cncc(F)c1 ZINC000095419898 185360006 /nfs/dbraw/zinc/36/00/06/185360006.db2.gz MJDNRKLIRWRDHQ-CQSZACIVSA-N 1 0 310.376 3.300 50 0 DGAARO C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000095419658 185360093 /nfs/dbraw/zinc/36/00/93/185360093.db2.gz CFCXJTOLJADYPI-CYBMUJFWSA-N 1 0 300.377 3.036 50 0 DGAARO O=C(NCC1(c2cccc(F)c2)CCCCC1)C1CC[NH2+]CC1 ZINC000095426470 185361830 /nfs/dbraw/zinc/36/18/30/185361830.db2.gz JAGNZNUIYGTGQU-UHFFFAOYSA-N 1 0 318.436 3.143 50 0 DGAARO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000095427545 185361931 /nfs/dbraw/zinc/36/19/31/185361931.db2.gz ARTFSPYINPPLTD-LLVKDONJSA-N 1 0 306.406 3.097 50 0 DGAARO NC(=O)c1csc(C[NH2+][C@@H](c2ccccn2)C2CCCC2)c1 ZINC000095427551 185362149 /nfs/dbraw/zinc/36/21/49/185362149.db2.gz FLOKENQTQYYJDO-MRXNPFEDSA-N 1 0 315.442 3.263 50 0 DGAARO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CCOCC1 ZINC000095420784 185360607 /nfs/dbraw/zinc/36/06/07/185360607.db2.gz PXOUPPQPYXTBSX-LLVKDONJSA-N 1 0 303.324 3.241 50 0 DGAARO O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C1CCOCC1 ZINC000095422239 185360953 /nfs/dbraw/zinc/36/09/53/185360953.db2.gz VVZXSJFBNLFVNB-IBGZPJMESA-N 1 0 324.424 3.005 50 0 DGAARO Cc1cccn2c(C[NH2+][C@H](C)C[C@H](O)c3ccccc3)cnc12 ZINC000095448814 185368274 /nfs/dbraw/zinc/36/82/74/185368274.db2.gz NXWDYXDPSSRCGI-QAPCUYQASA-N 1 0 309.413 3.245 50 0 DGAARO Cc1cccn2c(C[NH2+][C@@H](C)C[C@H](O)c3cccs3)cnc12 ZINC000095448915 185368564 /nfs/dbraw/zinc/36/85/64/185368564.db2.gz ZNFYZMLMVXJKMT-ZFWWWQNUSA-N 1 0 315.442 3.306 50 0 DGAARO C[C@H](CO)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000095452687 185369224 /nfs/dbraw/zinc/36/92/24/185369224.db2.gz ZMUPPKNGCDTRRX-LBPRGKRZSA-N 1 0 317.260 3.134 50 0 DGAARO Cc1cc(CN2CC[NH+](CC3CCC(C)(C)CC3)CC2)on1 ZINC000095453932 185369564 /nfs/dbraw/zinc/36/95/64/185369564.db2.gz JMPWOUVWQXKZEX-UHFFFAOYSA-N 1 0 305.466 3.317 50 0 DGAARO CC[C@@H]([NH3+])C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000095466883 185372017 /nfs/dbraw/zinc/37/20/17/185372017.db2.gz LZSYJUBSSDPRNL-CQSZACIVSA-N 1 0 312.866 3.160 50 0 DGAARO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 ZINC000095463502 185371349 /nfs/dbraw/zinc/37/13/49/185371349.db2.gz UDNJZZKHWSPBAF-KDOFPFPSSA-N 1 0 317.429 3.443 50 0 DGAARO CC(C)C1CCC([NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000095464343 185371448 /nfs/dbraw/zinc/37/14/48/185371448.db2.gz KZMVZUZZPIGBQY-PQUAAJSLSA-N 1 0 320.452 3.274 50 0 DGAARO OCCC1([NH2+]Cc2cccc(Cl)c2Cl)CCOCC1 ZINC000097015964 185397432 /nfs/dbraw/zinc/39/74/32/185397432.db2.gz BOCDMAUJNLLDEQ-UHFFFAOYSA-N 1 0 304.217 3.015 50 0 DGAARO Fc1ccc([C@H](c2ccccc2)N2CCC[NH2+]CC2)c(F)c1 ZINC000095470225 185372661 /nfs/dbraw/zinc/37/26/61/185372661.db2.gz WSKYMLTZFGKLOP-SFHVURJKSA-N 1 0 302.368 3.350 50 0 DGAARO COc1cccc(OC)c1OCCC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000103408237 432008666 /nfs/dbraw/zinc/00/86/66/432008666.db2.gz NTKIKGKIYFFJTE-HUUCEWRRSA-N 1 0 307.434 3.451 50 0 DGAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 ZINC000328595845 529990620 /nfs/dbraw/zinc/99/06/20/529990620.db2.gz GMNQTIOSPHIUAQ-QRGHLMKCSA-N 1 0 313.228 3.075 50 0 DGAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000105895505 432019072 /nfs/dbraw/zinc/01/90/72/432019072.db2.gz NQSLSQSDXKLHED-IRXDYDNUSA-N 1 0 317.408 3.047 50 0 DGAARO Cc1nc(C)c(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)s1 ZINC000083475268 192371001 /nfs/dbraw/zinc/37/10/01/192371001.db2.gz JNVHCEDIPDIUFM-UHFFFAOYSA-N 1 0 313.467 3.153 50 0 DGAARO Clc1ccc([C@@H](C[NH2+]Cc2cccnc2)n2cccn2)cc1 ZINC000083476189 192371140 /nfs/dbraw/zinc/37/11/40/192371140.db2.gz SNWKMWJZQOLVGE-QGZVFWFLSA-N 1 0 312.804 3.311 50 0 DGAARO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000236725698 201983143 /nfs/dbraw/zinc/98/31/43/201983143.db2.gz ILRAKXYPTYARSY-HZPDHXFCSA-N 1 0 318.461 3.083 50 0 DGAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(C)c1 ZINC000071730307 191017196 /nfs/dbraw/zinc/01/71/96/191017196.db2.gz YEHRSJPYUDSEHF-KRWDZBQOSA-N 1 0 300.446 3.199 50 0 DGAARO CC(C)[C@@H]1C[N@H+](CCCF)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071749570 191022034 /nfs/dbraw/zinc/02/20/34/191022034.db2.gz GLTVXIOAPYPCKY-KRWDZBQOSA-N 1 0 324.415 3.244 50 0 DGAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000071757171 191024709 /nfs/dbraw/zinc/02/47/09/191024709.db2.gz DFPBAJFXEHXXBC-OAHLLOKOSA-N 1 0 319.836 3.439 50 0 DGAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccnn3-c3ccccc3)C2)n1 ZINC000072148415 191055093 /nfs/dbraw/zinc/05/50/93/191055093.db2.gz JCMNXKSPWYEGSE-LJQANCHMSA-N 1 0 321.428 3.133 50 0 DGAARO CCCCOC(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000072166983 191066406 /nfs/dbraw/zinc/06/64/06/191066406.db2.gz HIVNBXUWTASOHS-HNNXBMFYSA-N 1 0 308.397 3.316 50 0 DGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(OC)cc1OC ZINC000072298365 191113167 /nfs/dbraw/zinc/11/31/67/191113167.db2.gz ZMYVXKNBZCXUCF-MRXNPFEDSA-N 1 0 315.417 3.087 50 0 DGAARO C[C@@H](C(=O)N1CCC[C@H](c2nccs2)C1)[NH+]1CCCCCC1 ZINC000072300311 191114522 /nfs/dbraw/zinc/11/45/22/191114522.db2.gz AOTPZTFIZZQXID-GJZGRUSLSA-N 1 0 321.490 3.114 50 0 DGAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccccc1 ZINC000225576236 186279986 /nfs/dbraw/zinc/27/99/86/186279986.db2.gz JJFLAGGVKOQTJZ-INIZCTEOSA-N 1 0 319.474 3.026 50 0 DGAARO C[C@@H]1CCCN(C(=O)c2cnc(-c3ccsc3)s2)[C@@H]1C[NH3+] ZINC000237451227 186290820 /nfs/dbraw/zinc/29/08/20/186290820.db2.gz FBSJVIHHLRJPTP-ZYHUDNBSSA-N 1 0 321.471 3.071 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)C1 ZINC000237491937 186296800 /nfs/dbraw/zinc/29/68/00/186296800.db2.gz USRQYFKZXPHBRG-CTHBEMJXSA-N 1 0 306.837 3.029 50 0 DGAARO COC[C@@H]1CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072425559 191160126 /nfs/dbraw/zinc/16/01/26/191160126.db2.gz XEXLNSWGEIKINQ-GOSISDBHSA-N 1 0 305.462 3.249 50 0 DGAARO CC(C)(O)CCc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000072425361 191160500 /nfs/dbraw/zinc/16/05/00/191160500.db2.gz DDSQERCNHIGEBW-LJQANCHMSA-N 1 0 316.489 3.060 50 0 DGAARO Cc1ccccc1OC1CN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000072431014 191162380 /nfs/dbraw/zinc/16/23/80/191162380.db2.gz VYCIOCDIGSFFSJ-PKOBYXMFSA-N 1 0 314.473 3.323 50 0 DGAARO CC(C)(O)CCc1ccc(C[NH+]2CC(c3ccccn3)C2)cc1 ZINC000072447744 191169238 /nfs/dbraw/zinc/16/92/38/191169238.db2.gz ODFMAFHVJLUFGI-UHFFFAOYSA-N 1 0 310.441 3.385 50 0 DGAARO Cc1cc2nc(C)cc(NCCC[N@@H+](C)C3CCCC3)n2n1 ZINC000072447920 191170596 /nfs/dbraw/zinc/17/05/96/191170596.db2.gz WHGHEDTWRQJKIX-UHFFFAOYSA-N 1 0 301.438 3.023 50 0 DGAARO Cc1cc2nc(C(C)C)cc(NCC[C@@H]3CCC[N@@H+]3C)n2n1 ZINC000072469708 191175749 /nfs/dbraw/zinc/17/57/49/191175749.db2.gz FPDUKKRGYLQMNU-AWEZNQCLSA-N 1 0 301.438 3.057 50 0 DGAARO CCn1cc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)cn1 ZINC000072467959 191175939 /nfs/dbraw/zinc/17/59/39/191175939.db2.gz AQCHUXVZSMTDJB-HNNXBMFYSA-N 1 0 317.408 3.333 50 0 DGAARO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000072630916 191205365 /nfs/dbraw/zinc/20/53/65/191205365.db2.gz ROVAONIWCNWJIA-LLVKDONJSA-N 1 0 313.829 3.080 50 0 DGAARO CC1CCC([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000000283526 180747421 /nfs/dbraw/zinc/74/74/21/180747421.db2.gz WOOAQWBGRGISHI-UHFFFAOYSA-N 1 0 304.409 3.162 50 0 DGAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCCC4)[C@H]3C=C12 ZINC000000526777 180813374 /nfs/dbraw/zinc/81/33/74/180813374.db2.gz DCJBMWWPSZAUKA-LORHWOILSA-N 1 0 301.430 3.317 50 0 biogenic DGAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000067419376 432030892 /nfs/dbraw/zinc/03/08/92/432030892.db2.gz SVFWRDXGXQOLAD-ZDUSSCGKSA-N 1 0 314.351 3.054 50 0 DGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CCCC2)C1 ZINC000107340129 432030998 /nfs/dbraw/zinc/03/09/98/432030998.db2.gz PFZHENLRFBQMPE-RHSMWYFYSA-N 1 0 301.434 3.064 50 0 DGAARO CCCCc1c(-c2ccccc2)ncn1[C@@H](C)c1n[nH]c(=O)[n-]1 ZINC000067491240 432031353 /nfs/dbraw/zinc/03/13/53/432031353.db2.gz QMHWFIABDSDGAH-LBPRGKRZSA-N 1 0 311.389 3.326 50 0 DGAARO O=C(C[C@@H]1CC[NH2+]C1)NCCC(c1ccccc1)c1ccccc1 ZINC000174017864 198281516 /nfs/dbraw/zinc/28/15/16/198281516.db2.gz XOUBMOKXNDYWOP-KRWDZBQOSA-N 1 0 322.452 3.324 50 0 DGAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)c3ccco3)c(=O)[nH]c2c1 ZINC000067541751 432032305 /nfs/dbraw/zinc/03/23/05/432032305.db2.gz JFPLJVCUSQCDGU-LBPRGKRZSA-N 1 0 312.369 3.323 50 0 DGAARO C[C@H]1CCc2sc3ncnc(NCCC[NH+](C)C)c3c2C1 ZINC000001813508 180897890 /nfs/dbraw/zinc/89/78/90/180897890.db2.gz MCONYWNHEPHVPK-NSHDSACASA-N 1 0 304.463 3.180 50 0 DGAARO CO[C@@H](C)c1ccc(-c2ccc(NC(=O)C[NH3+])c(F)c2)cc1 ZINC000067559944 432032807 /nfs/dbraw/zinc/03/28/07/432032807.db2.gz MSGXVEOTQWDKLM-NSHDSACASA-N 1 0 302.349 3.097 50 0 DGAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCc3occc32)C1 ZINC000107496881 432033100 /nfs/dbraw/zinc/03/31/00/432033100.db2.gz WMUVOEYLTGTTGR-ZBFHGGJFSA-N 1 0 319.449 3.077 50 0 DGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCc3occc32)C1 ZINC000107496877 432033269 /nfs/dbraw/zinc/03/32/69/432033269.db2.gz WMUVOEYLTGTTGR-HOCLYGCPSA-N 1 0 319.449 3.077 50 0 DGAARO C[N@@H+]1CCCC2(CCN(C(=O)c3ccc(Cl)cn3)CC2)CC1 ZINC000067605005 432033449 /nfs/dbraw/zinc/03/34/49/432033449.db2.gz AGKSVILZMGJHPG-UHFFFAOYSA-N 1 0 321.852 3.073 50 0 DGAARO c1cc(-c2ccc(C[NH+]3CCC(c4ccncc4)CC3)o2)n[nH]1 ZINC000067643263 432033762 /nfs/dbraw/zinc/03/37/62/432033762.db2.gz IIGVMJQWZWMWRJ-UHFFFAOYSA-N 1 0 308.385 3.444 50 0 DGAARO O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000067614085 432033779 /nfs/dbraw/zinc/03/37/79/432033779.db2.gz JDRVZCANCBCXBZ-FGTMMUONSA-N 1 0 316.420 3.016 50 0 DGAARO CC/C=C(\C)C[N@@H+]1CC[C@H](CNC(=O)Nc2c(C)noc2C)C1 ZINC000067605458 432033886 /nfs/dbraw/zinc/03/38/86/432033886.db2.gz VLWWAHXZRGNZKV-KXCGHJCSSA-N 1 0 320.437 3.091 50 0 DGAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[NH2+]CC1 ZINC000067654790 432034413 /nfs/dbraw/zinc/03/44/13/432034413.db2.gz QTJKFLGXNQGDRU-UHFFFAOYSA-N 1 0 305.809 3.099 50 0 DGAARO COCCC[NH2+]CCOCCOc1cccc(Cl)c1Cl ZINC000002981023 180973390 /nfs/dbraw/zinc/97/33/90/180973390.db2.gz KQJHNVOTGZINLX-UHFFFAOYSA-N 1 0 322.232 3.015 50 0 DGAARO CC[NH+](CC)C[C@H](C)OC(=O)c1ccccc1Br ZINC000003314834 181003424 /nfs/dbraw/zinc/00/34/24/181003424.db2.gz IFQMPBHWWXUCSO-NSHDSACASA-N 1 0 314.223 3.336 50 0 DGAARO Cc1ccc2[nH]c(C[NH2+][C@@H](Cn3ccnc3)C(C)C)nc2c1C ZINC000067725821 432037094 /nfs/dbraw/zinc/03/70/94/432037094.db2.gz MTXBBVXKJLSTKX-INIZCTEOSA-N 1 0 311.433 3.191 50 0 DGAARO O=C(CCc1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028103 181064347 /nfs/dbraw/zinc/06/43/47/181064347.db2.gz VKROJTMJMSIJHO-ZWKOTPCHSA-N 1 0 301.430 3.427 50 0 biogenic DGAARO CCN(CC[NH+]1CCCC1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000067726999 432037773 /nfs/dbraw/zinc/03/77/73/432037773.db2.gz MYFBKTKDXIGZJV-UHFFFAOYSA-N 1 0 311.429 3.035 50 0 DGAARO COc1ccc([C@]2(C)N(O)[C@H](C)C(c3cccs3)[N+]2=O)cc1 ZINC000004314905 181096303 /nfs/dbraw/zinc/09/63/03/181096303.db2.gz IUBGPLQNTKSDFN-BDJLRTHQSA-N 1 0 318.398 3.022 50 0 DGAARO CC1(C)CC(NC(=O)Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000004454626 181110378 /nfs/dbraw/zinc/11/03/78/181110378.db2.gz ZBAIITAIOKOLGT-UHFFFAOYSA-N 1 0 308.853 3.308 50 0 DGAARO CCC(=O)N(CC[NH+](CC)CC)c1nc2ccccc2s1 ZINC000004585315 181127463 /nfs/dbraw/zinc/12/74/63/181127463.db2.gz SSPYAWNZMMVCOY-UHFFFAOYSA-N 1 0 305.447 3.381 50 0 DGAARO COC[C@@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000004700392 181139267 /nfs/dbraw/zinc/13/92/67/181139267.db2.gz DIOZCKTYOXSHSF-OAHLLOKOSA-N 1 0 315.413 3.399 50 0 DGAARO COC[C@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000004700391 181139301 /nfs/dbraw/zinc/13/93/01/181139301.db2.gz DIOZCKTYOXSHSF-HNNXBMFYSA-N 1 0 315.413 3.399 50 0 DGAARO CCCC(C(=O)NCC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000004674766 181135091 /nfs/dbraw/zinc/13/50/91/181135091.db2.gz KRYFTTYSENQBAM-UHFFFAOYSA-N 1 0 324.468 3.451 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000004744542 181145962 /nfs/dbraw/zinc/14/59/62/181145962.db2.gz ICBZZRVURQPCGZ-CALCHBBNSA-N 1 0 314.473 3.198 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000004744280 181146075 /nfs/dbraw/zinc/14/60/75/181146075.db2.gz RDXFSPOFYBNRJV-KBPBESRZSA-N 1 0 306.475 3.331 50 0 DGAARO COc1ccccc1C(=O)N1CCC([NH+]2CCCCCC2)CC1 ZINC000004803218 181153707 /nfs/dbraw/zinc/15/37/07/181153707.db2.gz KNZCKASVNATZSV-UHFFFAOYSA-N 1 0 316.445 3.176 50 0 DGAARO CN(Cc1ncc[nH]1)C(=O)c1ccccc1Oc1ccccc1 ZINC000067867518 432043531 /nfs/dbraw/zinc/04/35/31/432043531.db2.gz VYPBDFFEVBMZCR-UHFFFAOYSA-N 1 0 307.353 3.474 50 0 DGAARO CC(=O)c1cccc(OCCOCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000004842049 181161484 /nfs/dbraw/zinc/16/14/84/181161484.db2.gz 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C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000237321835 202229617 /nfs/dbraw/zinc/22/96/17/202229617.db2.gz CLVSGJFMGOUIAE-BDAKNGLRSA-N 1 0 319.207 3.332 50 0 DGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1(c3ccccc3)CC1)C2 ZINC000091289158 283356004 /nfs/dbraw/zinc/35/60/04/283356004.db2.gz SBISPYZLIDUMMY-SJLPKXTDSA-N 1 0 312.457 3.051 50 0 DGAARO CCC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccsc1 ZINC000187807316 200160277 /nfs/dbraw/zinc/16/02/77/200160277.db2.gz NOEVWOICVDRZDI-AWEZNQCLSA-N 1 0 301.477 3.004 50 0 DGAARO Cc1c2ccccc2sc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237514613 202266593 /nfs/dbraw/zinc/26/65/93/202266593.db2.gz ALYHZCFIVKTTSE-QWHCGFSZSA-N 1 0 302.443 3.409 50 0 DGAARO O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000237881769 202377941 /nfs/dbraw/zinc/37/79/41/202377941.db2.gz QFDMOWPQTDODRE-DOTOQJQBSA-N 1 0 314.816 3.155 50 0 DGAARO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000237940211 202398579 /nfs/dbraw/zinc/39/85/79/202398579.db2.gz 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COCCC[C@]1(CO)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000092045522 193147778 /nfs/dbraw/zinc/14/77/78/193147778.db2.gz SNTLWULEOONIEF-OAHLLOKOSA-N 1 0 317.882 3.403 50 0 DGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccncc1 ZINC000054219192 283990509 /nfs/dbraw/zinc/99/05/09/283990509.db2.gz SAOOYZODHNZQSY-CQSZACIVSA-N 1 0 316.430 3.102 50 0 DGAARO CC[C@@H](C(=O)N1CCN(c2cc[nH+]c(C)c2)CC1)c1ccccc1 ZINC000223560564 201648681 /nfs/dbraw/zinc/64/86/81/201648681.db2.gz TZQOOFYMZKPZFN-LJQANCHMSA-N 1 0 323.440 3.232 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccsc1 ZINC000252549496 202865889 /nfs/dbraw/zinc/86/58/89/202865889.db2.gz RJKKNJYGGPSMDZ-JCGIZDLHSA-N 1 0 316.470 3.034 50 0 DGAARO CCOC[C@@H]1CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459334025 243337776 /nfs/dbraw/zinc/33/77/76/243337776.db2.gz CTAWIMYHCCJNNT-LLVKDONJSA-N 1 0 314.223 3.013 50 0 DGAARO Cc1ccc(C[NH+]2CCC(OC3CCOCC3)CC2)c(C)c1 ZINC000093140642 193206820 /nfs/dbraw/zinc/20/68/20/193206820.db2.gz DSICTYQDWFMDQJ-UHFFFAOYSA-N 1 0 303.446 3.463 50 0 DGAARO COc1ccccc1-c1ccc([C@H](C)NC(=O)C(C)(C)[NH3+])cc1 ZINC000262487407 203307270 /nfs/dbraw/zinc/30/72/70/203307270.db2.gz VBYHFBMCTXKOAO-ZDUSSCGKSA-N 1 0 312.413 3.277 50 0 DGAARO C[N@H+](CCCO)C1CCN(Cc2cc3ccccc3s2)CC1 ZINC000093394799 193243014 /nfs/dbraw/zinc/24/30/14/193243014.db2.gz GRZBRKTVLFXLOQ-UHFFFAOYSA-N 1 0 318.486 3.180 50 0 DGAARO CCOC[C@@H]1CC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000093838726 193315157 /nfs/dbraw/zinc/31/51/57/193315157.db2.gz KZTHHDXYWSHBSB-CYBMUJFWSA-N 1 0 307.821 3.474 50 0 DGAARO COC(=O)[C@H]1CCCCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000095941456 193452556 /nfs/dbraw/zinc/45/25/56/193452556.db2.gz RGFHILVGWUHJLI-KBPBESRZSA-N 1 0 308.447 3.232 50 0 DGAARO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccsc1)CCCO2 ZINC000095968293 193464856 /nfs/dbraw/zinc/46/48/56/193464856.db2.gz ZOHKSHNINHQTOI-HZPDHXFCSA-N 1 0 319.426 3.294 50 0 DGAARO O=C(c1cc2occc2[nH]1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000095979061 193473112 /nfs/dbraw/zinc/47/31/12/193473112.db2.gz XKYXYMIJBKSXAQ-HNNXBMFYSA-N 1 0 323.396 3.155 50 0 DGAARO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(C)s2)c1 ZINC000096478155 193663203 /nfs/dbraw/zinc/66/32/03/193663203.db2.gz RSWGQFRZWIVKLI-CYBMUJFWSA-N 1 0 302.443 3.309 50 0 DGAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)Cn1cc(C=O)c2ccccc21 ZINC000011612374 181695333 /nfs/dbraw/zinc/69/53/33/181695333.db2.gz OHTDILXTEPRBOP-INMHGKMJSA-N 1 0 314.429 3.078 50 0 DGAARO c1cc(N[C@H]2CCC[N@@H+](C3CCSCC3)C2)cc2c1OCO2 ZINC000012302125 181747251 /nfs/dbraw/zinc/74/72/51/181747251.db2.gz KWBJVGAQSRQFPV-AWEZNQCLSA-N 1 0 320.458 3.187 50 0 DGAARO CO[C@@H](C)CCC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000097082339 193682151 /nfs/dbraw/zinc/68/21/51/193682151.db2.gz UXQPKFPGKIXHBK-PQUAAJSLSA-N 1 0 324.509 3.303 50 0 DGAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1c3ccccc3oc1CC)CC2 ZINC000097199587 193687022 /nfs/dbraw/zinc/68/70/22/193687022.db2.gz SVZJIOHNDDYWMP-ZDUSSCGKSA-N 1 0 324.428 3.254 50 0 DGAARO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccc(Cl)s1)CC2 ZINC000097199488 193686588 /nfs/dbraw/zinc/68/65/88/193686588.db2.gz NGPUWDTXOVMPLM-SNVBAGLBSA-N 1 0 310.854 3.221 50 0 DGAARO CCc1nc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000097200928 193688466 /nfs/dbraw/zinc/68/84/66/193688466.db2.gz JXWFPTKTCGOMLK-AWEZNQCLSA-N 1 0 316.474 3.343 50 0 DGAARO CC(C)[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccc(F)cc1 ZINC000016046944 182031209 /nfs/dbraw/zinc/03/12/09/182031209.db2.gz YSPXPJPRRXAVIW-GOSISDBHSA-N 1 0 318.392 3.364 50 0 DGAARO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016606714 182053260 /nfs/dbraw/zinc/05/32/60/182053260.db2.gz OTPBCYBUJRAWMG-UHFFFAOYSA-N 1 0 313.376 3.071 50 0 DGAARO Cc1ccc([C@@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1 ZINC000016944317 182065312 /nfs/dbraw/zinc/06/53/12/182065312.db2.gz VUDWNMXTYXWQKA-NRFANRHFSA-N 1 0 317.412 3.150 50 0 DGAARO COc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000017054399 182071928 /nfs/dbraw/zinc/07/19/28/182071928.db2.gz VDEQQCMOWILAJC-UHFFFAOYSA-N 1 0 317.433 3.177 50 0 DGAARO NC(=O)c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000019233063 182110126 /nfs/dbraw/zinc/11/01/26/182110126.db2.gz SDIBDPAKUZNNSR-UHFFFAOYSA-N 1 0 323.223 3.425 50 0 DGAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccccc1F ZINC000019720956 182138202 /nfs/dbraw/zinc/13/82/02/182138202.db2.gz JEDZQVJOBGCTPI-UHFFFAOYSA-N 1 0 319.376 3.184 50 0 DGAARO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000019744064 182141829 /nfs/dbraw/zinc/14/18/29/182141829.db2.gz GQZYDBXDLWQALZ-AWEZNQCLSA-N 1 0 319.470 3.482 50 0 DGAARO Clc1ccc(Cl)c(OCCCCN2CC[NH2+]CC2)c1 ZINC000020118267 182189446 /nfs/dbraw/zinc/18/94/46/182189446.db2.gz RAEBDRHINKPDEM-UHFFFAOYSA-N 1 0 303.233 3.058 50 0 DGAARO CSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000020149211 182191976 /nfs/dbraw/zinc/19/19/76/182191976.db2.gz BSWIDNVWJYNABX-OLZOCXBDSA-N 1 0 317.882 3.119 50 0 DGAARO CCC(=O)c1ccccc1OCCCCN1CC[NH+](CC)CC1 ZINC000020406232 182215418 /nfs/dbraw/zinc/21/54/18/182215418.db2.gz ZZNWYCNRKMTOEO-UHFFFAOYSA-N 1 0 318.461 3.076 50 0 DGAARO Fc1ccccc1OCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020482401 182222631 /nfs/dbraw/zinc/22/26/31/182222631.db2.gz RSBOMLCGTNJAES-UHFFFAOYSA-N 1 0 314.404 3.022 50 0 DGAARO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020559279 182231733 /nfs/dbraw/zinc/23/17/33/182231733.db2.gz CJBDUMXBWVDBJL-JTQLQIEISA-N 1 0 301.777 3.360 50 0 DGAARO CC(=O)c1ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020653349 182242174 /nfs/dbraw/zinc/24/21/74/182242174.db2.gz RWDDDQNNVPKZQX-HUUCEWRRSA-N 1 0 305.418 3.157 50 0 DGAARO CN1CC[NH+](CCCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000020653288 182242273 /nfs/dbraw/zinc/24/22/73/182242273.db2.gz YFJHJRAPPSTJSO-UHFFFAOYSA-N 1 0 304.478 3.391 50 0 DGAARO FC(F)Oc1ccccc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000020918936 182253681 /nfs/dbraw/zinc/25/36/81/182253681.db2.gz SUTNTGQHJRAOOL-AWEZNQCLSA-N 1 0 305.324 3.381 50 0 DGAARO COc1ccc(CN2CC[N@@H+](C3CCCCC3)CCC2=O)cc1 ZINC000020918276 182253726 /nfs/dbraw/zinc/25/37/26/182253726.db2.gz JUIZKZYUNUFGGQ-UHFFFAOYSA-N 1 0 316.445 3.062 50 0 DGAARO c1ccc(-c2noc(N3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000021629649 182281392 /nfs/dbraw/zinc/28/13/92/182281392.db2.gz OWTVYLRXBWNQOU-UHFFFAOYSA-N 1 0 312.417 3.191 50 0 DGAARO CC[NH+](CC)CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000022704275 182331922 /nfs/dbraw/zinc/33/19/22/182331922.db2.gz SPGRSKWSODGQBR-UHFFFAOYSA-N 1 0 313.445 3.118 50 0 DGAARO COc1cc(C[NH2+][C@H](C)c2cccs2)cc2c1OCCO2 ZINC000022778711 182333819 /nfs/dbraw/zinc/33/38/19/182333819.db2.gz MCPOEZKNAFMOIH-LLVKDONJSA-N 1 0 305.399 3.379 50 0 DGAARO OCC[C@@H]1CN(Cc2cccc(Cl)c2)CC[N@@H+]1C1CCCC1 ZINC000022913757 182339909 /nfs/dbraw/zinc/33/99/09/182339909.db2.gz NEJMFJJXMXCEOU-GOSISDBHSA-N 1 0 322.880 3.151 50 0 DGAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)on1 ZINC000022911035 182340082 /nfs/dbraw/zinc/34/00/82/182340082.db2.gz HJQHZBFDYGZXHI-GHMZBOCLSA-N 1 0 307.781 3.314 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1F)c1cccs1 ZINC000023105528 182347746 /nfs/dbraw/zinc/34/77/46/182347746.db2.gz HAKQWOQHQKDQKS-GFCCVEGCSA-N 1 0 310.369 3.059 50 0 DGAARO COc1cc(C[NH2+]CCc2cccc(Cl)c2)cc2c1OCO2 ZINC000023634536 182365356 /nfs/dbraw/zinc/36/53/56/182365356.db2.gz DWCIPAADJDZMIG-UHFFFAOYSA-N 1 0 319.788 3.410 50 0 DGAARO C[C@@H](c1ccccc1Cl)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091691376 296238426 /nfs/dbraw/zinc/23/84/26/296238426.db2.gz ACLWJFHMYDINPQ-ZDUSSCGKSA-N 1 0 306.837 3.393 50 0 DGAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccco1 ZINC000036096969 182799814 /nfs/dbraw/zinc/79/98/14/182799814.db2.gz UGUHYZCVLIWZNM-QGZVFWFLSA-N 1 0 303.402 3.069 50 0 DGAARO O=C(C[C@H]1C=CCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000039984934 183026819 /nfs/dbraw/zinc/02/68/19/183026819.db2.gz MHIMPZZGYMWWHV-HOTGVXAUSA-N 1 0 302.418 3.279 50 0 DGAARO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cc(C)on1 ZINC000039992516 183027765 /nfs/dbraw/zinc/02/77/65/183027765.db2.gz UZTHGWOLOHEVRM-CYBMUJFWSA-N 1 0 319.430 3.383 50 0 DGAARO C[N@H+](CCCNC(=O)/C=C/c1ccccc1)Cc1ccccc1 ZINC000040043398 183029680 /nfs/dbraw/zinc/02/96/80/183029680.db2.gz HNXYATUDISTCJK-BUHFOSPRSA-N 1 0 308.425 3.338 50 0 DGAARO C[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)C[NH+]1CCCC1 ZINC000040152064 183040061 /nfs/dbraw/zinc/04/00/61/183040061.db2.gz DNQRZYJOJCUNDA-OAHLLOKOSA-N 1 0 302.462 3.446 50 0 DGAARO COc1ccc(C[N@H+](C)CCOc2ccc(F)cc2)cc1OC ZINC000040161833 183041757 /nfs/dbraw/zinc/04/17/57/183041757.db2.gz WOBNXHPIRAAWMM-UHFFFAOYSA-N 1 0 319.376 3.354 50 0 DGAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccsc2)no1 ZINC000040528263 183093539 /nfs/dbraw/zinc/09/35/39/183093539.db2.gz SJRINRXYRSUBFW-ZDUSSCGKSA-N 1 0 305.403 3.210 50 0 DGAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCC(F)(F)CC1 ZINC000095376680 284665888 /nfs/dbraw/zinc/66/58/88/284665888.db2.gz XWWZWRLKMMMZDP-HNNXBMFYSA-N 1 0 308.372 3.025 50 0 DGAARO Cc1ccc(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000043050214 183333072 /nfs/dbraw/zinc/33/30/72/183333072.db2.gz LUURZCTZINWKSM-QGZVFWFLSA-N 1 0 317.477 3.306 50 0 DGAARO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(F)cc2)C1 ZINC000043025325 183331266 /nfs/dbraw/zinc/33/12/66/183331266.db2.gz VSSKDBXUEMNLCU-HNNXBMFYSA-N 1 0 321.440 3.137 50 0 DGAARO CCc1ccccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000043401912 183358734 /nfs/dbraw/zinc/35/87/34/183358734.db2.gz DXQKETITGGGZPS-UHFFFAOYSA-N 1 0 303.450 3.491 50 0 DGAARO COc1cc(F)ccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000044236616 183399727 /nfs/dbraw/zinc/39/97/27/183399727.db2.gz VHPBQBOIAHAXNI-UHFFFAOYSA-N 1 0 323.412 3.222 50 0 DGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000106575189 194232618 /nfs/dbraw/zinc/23/26/18/194232618.db2.gz BMINBGWQPLHNML-SCRDCRAPSA-N 1 0 309.841 3.146 50 0 DGAARO CCCc1noc([C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000048313901 183643083 /nfs/dbraw/zinc/64/30/83/183643083.db2.gz GPWZLGWHLBLCEQ-CQSZACIVSA-N 1 0 308.470 3.137 50 0 DGAARO O=C(c1nccc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068131949 296304272 /nfs/dbraw/zinc/30/42/72/296304272.db2.gz NVRCXCUHVHPMDB-QGZVFWFLSA-N 1 0 323.440 3.325 50 0 DGAARO CC(C)c1cccc(O[C@H](C)C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000056057488 184004131 /nfs/dbraw/zinc/00/41/31/184004131.db2.gz SPWIDOHVTCHHCG-OAHLLOKOSA-N 1 0 318.461 3.130 50 0 DGAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000058168491 184084074 /nfs/dbraw/zinc/08/40/74/184084074.db2.gz UAVAHIPXGDOUCA-CYBMUJFWSA-N 1 0 314.816 3.407 50 0 DGAARO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C)on2)cc1)C(C)C ZINC000058343826 184107175 /nfs/dbraw/zinc/10/71/75/184107175.db2.gz FAMWLMKLSWBPKJ-UHFFFAOYSA-N 1 0 301.390 3.466 50 0 DGAARO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)cc(=O)oc12 ZINC000058355599 184107530 /nfs/dbraw/zinc/10/75/30/184107530.db2.gz WKVHZWCVUPTXED-MRXNPFEDSA-N 1 0 324.380 3.472 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)/C=C/c2csc(C)n2)CC1 ZINC000058392521 184111933 /nfs/dbraw/zinc/11/19/33/184111933.db2.gz PTQCLDZOULQTAU-VOTSOKGWSA-N 1 0 321.490 3.045 50 0 DGAARO Cc1cc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)c(C)s1 ZINC000058391811 184111206 /nfs/dbraw/zinc/11/12/06/184111206.db2.gz YMSPJTLUETVBLW-NSHDSACASA-N 1 0 306.479 3.324 50 0 DGAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(F)c(Cl)c1 ZINC000058315920 184105010 /nfs/dbraw/zinc/10/50/10/184105010.db2.gz IHHCAAIKXOCMNA-QWRGUYRKSA-N 1 0 308.788 3.068 50 0 DGAARO [NH2+]=C(NCCCCOCc1ccccc1)NCc1ccccc1 ZINC000058329428 184106115 /nfs/dbraw/zinc/10/61/15/184106115.db2.gz YOJVWMPBESKHBL-UHFFFAOYSA-N 1 0 311.429 3.298 50 0 DGAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@@H](c1ccco1)c1ccccc1)CN2 ZINC000058331369 184106550 /nfs/dbraw/zinc/10/65/50/184106550.db2.gz PNFSYFXDZPHHJL-DNVCBOLYSA-N 1 0 322.412 3.205 50 0 DGAARO NC(=[NH2+])NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000058405058 184113723 /nfs/dbraw/zinc/11/37/23/184113723.db2.gz BZLUYRFASXKCMM-CYBMUJFWSA-N 1 0 312.804 3.436 50 0 DGAARO Fc1cc2cccnc2c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000058404194 184113820 /nfs/dbraw/zinc/11/38/20/184113820.db2.gz VDOKAXORASVSIQ-UHFFFAOYSA-N 1 0 310.376 3.477 50 0 DGAARO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000058406685 184114335 /nfs/dbraw/zinc/11/43/35/184114335.db2.gz FWASEOPPZRGUCV-AWEZNQCLSA-N 1 0 317.820 3.132 50 0 DGAARO C[C@@H]1CCC[C@H]([NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1C ZINC000060993020 184159365 /nfs/dbraw/zinc/15/93/65/184159365.db2.gz XSXAFQOMDFGVJG-KJWYOANISA-N 1 0 300.446 3.421 50 0 DGAARO C[NH2+][C@H](C(=O)c1ccccc1)[C@@H](OC)c1ccc(Cl)cc1 ZINC000061886123 184191898 /nfs/dbraw/zinc/19/18/98/184191898.db2.gz KHCZBRQXKFBDLU-WBVHZDCISA-N 1 0 303.789 3.498 50 0 DGAARO C[NH2+]CC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000063159382 184275029 /nfs/dbraw/zinc/27/50/29/184275029.db2.gz HZPBAOBIPYDCQM-UHFFFAOYSA-N 1 0 301.217 3.065 50 0 DGAARO Cc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000065255297 184318438 /nfs/dbraw/zinc/31/84/38/184318438.db2.gz GJNIWWQMKPOUDJ-FQEVSTJZSA-N 1 0 310.441 3.159 50 0 DGAARO CCOc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000065362569 184328180 /nfs/dbraw/zinc/32/81/80/184328180.db2.gz PMDIATPGLZAIHH-HOTGVXAUSA-N 1 0 318.461 3.183 50 0 DGAARO Cc1ccc(OCC(N)=O)c(-c2cccc([C@@H](C)[NH+](C)C)c2)c1 ZINC000065370458 184329523 /nfs/dbraw/zinc/32/95/23/184329523.db2.gz IHSDTCYUDCXGDM-CQSZACIVSA-N 1 0 312.413 3.149 50 0 DGAARO C[C@H](c1ccc(-c2ccc(C(N)=O)cn2)cc1)[NH+]1CCCCC1 ZINC000065373466 184330830 /nfs/dbraw/zinc/33/08/30/184330830.db2.gz WOOIRUUNKIJNGT-CQSZACIVSA-N 1 0 309.413 3.394 50 0 DGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1CCc1ccc(O)cc1 ZINC000065407720 184339177 /nfs/dbraw/zinc/33/91/77/184339177.db2.gz FTYSYURBBPOZTO-UHFFFAOYSA-N 1 0 320.396 3.339 50 0 DGAARO COc1ccc(CC[NH2+]CC(=O)Nc2cccc(C)c2C)cc1 ZINC000065418804 184341520 /nfs/dbraw/zinc/34/15/20/184341520.db2.gz OYUAXBNPILXOAF-UHFFFAOYSA-N 1 0 312.413 3.083 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@H](CC(C)C)c2cccnc2)CC1 ZINC000065432590 184344006 /nfs/dbraw/zinc/34/40/06/184344006.db2.gz VAWDVQDRVDGDMQ-QGZVFWFLSA-N 1 0 319.449 3.379 50 0 DGAARO CC[NH+](CC)Cc1cccc(C(=O)Nc2ccccc2CO)c1 ZINC000065460850 184348956 /nfs/dbraw/zinc/34/89/56/184348956.db2.gz KVLMMWXEGXRSMT-UHFFFAOYSA-N 1 0 312.413 3.273 50 0 DGAARO Cc1cc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)no1 ZINC000065563185 184366280 /nfs/dbraw/zinc/36/62/80/184366280.db2.gz IZAYGHJSWKXHTQ-ZDUSSCGKSA-N 1 0 316.405 3.234 50 0 DGAARO Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000269214476 207333551 /nfs/dbraw/zinc/33/35/51/207333551.db2.gz JIWJACOIEXHNFS-BQFCYCMXSA-N 1 0 300.446 3.484 50 0 DGAARO COc1cccc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)c1OC(C)C ZINC000069368897 184510214 /nfs/dbraw/zinc/51/02/14/184510214.db2.gz RCSSSUHYGBSBJY-HUUCEWRRSA-N 1 0 317.433 3.418 50 0 DGAARO Cc1cc(C)n2c(C[NH2+][C@@H]3CCc4c3cccc4C)cnc2n1 ZINC000156572810 197124861 /nfs/dbraw/zinc/12/48/61/197124861.db2.gz ZWYWHBRREKLFEX-GOSISDBHSA-N 1 0 306.413 3.432 50 0 DGAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000016074825 256526402 /nfs/dbraw/zinc/52/64/02/256526402.db2.gz AKGPYHXWYUAVIS-CRAIPNDOSA-N 1 0 323.481 3.059 50 0 DGAARO [NH3+][C@H]1C[C@@H](c2cc(NCc3c(F)cccc3Cl)ncn2)C1 ZINC000244678948 256605354 /nfs/dbraw/zinc/60/53/54/256605354.db2.gz IMWIDEONTCTNSF-AOOOYVTPSA-N 1 0 306.772 3.086 50 0 DGAARO Fc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1C(F)(F)F ZINC000361955130 257236364 /nfs/dbraw/zinc/23/63/64/257236364.db2.gz KEKUSSHEGHQGAI-NSHDSACASA-N 1 0 313.298 3.215 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1cccc(Cl)c1Cl ZINC000237388156 257238396 /nfs/dbraw/zinc/23/83/96/257238396.db2.gz WDTNZYDVJVCJCW-ZYHUDNBSSA-N 1 0 315.244 3.264 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000237472181 257239592 /nfs/dbraw/zinc/23/95/92/257239592.db2.gz IYZBWWDGZNZMOA-PBHICJAKSA-N 1 0 302.462 3.255 50 0 DGAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccc2occc2c1 ZINC000072408453 257270816 /nfs/dbraw/zinc/27/08/16/257270816.db2.gz WMPHUIRIROPDST-MRXNPFEDSA-N 1 0 300.402 3.379 50 0 DGAARO CC1(C)[C@@H]([NH2+]CCn2cnnc2C2CC2)C[C@H]1c1ccccc1 ZINC000123530208 195592732 /nfs/dbraw/zinc/59/27/32/195592732.db2.gz GLARDDHVCWTSKI-IRXDYDNUSA-N 1 0 310.445 3.327 50 0 DGAARO O=S1(=O)CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000108357063 296482173 /nfs/dbraw/zinc/48/21/73/296482173.db2.gz MFLJIQSYFWOEAF-ZACQAIPSSA-N 1 0 313.507 3.292 50 0 DGAARO Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COc3ccccc3O1)CCC2 ZINC000323075799 400177209 /nfs/dbraw/zinc/17/72/09/400177209.db2.gz XPQWPIYCNQHZBM-NVXWUHKLSA-N 1 0 311.381 3.199 50 0 DGAARO C[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCCO1 ZINC000584888295 400120486 /nfs/dbraw/zinc/12/04/86/400120486.db2.gz YDOFWKNKEIOBBH-SFHVURJKSA-N 1 0 322.493 3.251 50 0 DGAARO O=C1CC[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)CCN1 ZINC000584884519 400120706 /nfs/dbraw/zinc/12/07/06/400120706.db2.gz NXLYFJIDYDCSDP-KRWDZBQOSA-N 1 0 300.446 3.147 50 0 DGAARO CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2C)CC1 ZINC000584888078 400121081 /nfs/dbraw/zinc/12/10/81/400121081.db2.gz GCJFAVQUXBYWGF-LJQANCHMSA-N 1 0 315.505 3.428 50 0 DGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)C[C@H]3C=CCC3)CC2)o1 ZINC000584897619 400123274 /nfs/dbraw/zinc/12/32/74/400123274.db2.gz PPMJEBGIFKWQJA-INIZCTEOSA-N 1 0 316.445 3.273 50 0 DGAARO Cc1cccc([C@@H](NC(=O)C[NH+]2CCCCCCC2)C2CC2)n1 ZINC000584901403 400123544 /nfs/dbraw/zinc/12/35/44/400123544.db2.gz ZQDKXWXJWWNLKD-IBGZPJMESA-N 1 0 315.461 3.223 50 0 DGAARO Cc1ncoc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000585136652 400127539 /nfs/dbraw/zinc/12/75/39/400127539.db2.gz OICPLOHRXDPDQN-UHFFFAOYSA-N 1 0 304.365 3.303 50 0 DGAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048411 400139769 /nfs/dbraw/zinc/13/97/69/400139769.db2.gz PIGLVPZWIWEUKT-LSDHHAIUSA-N 1 0 321.490 3.114 50 0 DGAARO Cc1ccc(OCCC(=O)OCCCCC[NH+](C)C)cc1C ZINC000072310706 400381226 /nfs/dbraw/zinc/38/12/26/400381226.db2.gz JMROKINSYOSMHX-UHFFFAOYSA-N 1 0 307.434 3.347 50 0 DGAARO O=[N+]1C(c2ccco2)=C(c2ccco2)N(O)[C@@H]2CCCC[C@H]21 ZINC000033362239 400382792 /nfs/dbraw/zinc/38/27/92/400382792.db2.gz ZMWONAZNKRDQRX-VXGBXAGGSA-N 1 0 301.322 3.493 50 0 DGAARO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1csc2ccccc21 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ZINC000069517189 431195321 /nfs/dbraw/zinc/19/53/21/431195321.db2.gz LFHDTKLPDJQKJE-UHFFFAOYSA-N 1 0 306.425 3.092 50 0 DGAARO CN(CC1CC[NH+](Cc2ccccn2)CC1)C(=O)OC(C)(C)C ZINC000069529739 431197023 /nfs/dbraw/zinc/19/70/23/431197023.db2.gz YZOPRJKATUYULO-UHFFFAOYSA-N 1 0 319.449 3.161 50 0 DGAARO COc1ccc(OC)c(C[N@H+](CCc2ccncc2)C2CC2)c1 ZINC000069567708 431198496 /nfs/dbraw/zinc/19/84/96/431198496.db2.gz BOJHWUMWRGJTRW-UHFFFAOYSA-N 1 0 312.413 3.306 50 0 DGAARO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cccc(Br)c1 ZINC000000210683 431147002 /nfs/dbraw/zinc/14/70/02/431147002.db2.gz HJOOJWKRWJMXAK-NSHDSACASA-N 1 0 312.207 3.090 50 0 DGAARO C[C@@H]1[C@H]([NH2+]C2CCN(CC(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000108496664 431147167 /nfs/dbraw/zinc/14/71/67/431147167.db2.gz RRJMXEJJFZUSSD-RRQGHBQHSA-N 1 0 308.416 3.498 50 0 DGAARO COc1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000000239865 431151326 /nfs/dbraw/zinc/15/13/26/431151326.db2.gz BQACZIUAKAUAEO-UHFFFAOYSA-N 1 0 316.445 3.032 50 0 DGAARO CN(C)c1nc2ccc(OCC[NH+]3CCCCC3)cc2s1 ZINC000000275257 431160793 /nfs/dbraw/zinc/16/07/93/431160793.db2.gz AEJVCCNCKQDWCR-UHFFFAOYSA-N 1 0 305.447 3.227 50 0 DGAARO CCCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)s1 ZINC000069585597 431202485 /nfs/dbraw/zinc/20/24/85/431202485.db2.gz PDEPUQALCIZDMV-UONOGXRCSA-N 1 0 321.490 3.103 50 0 DGAARO CCC[N@@H+](Cc1c(C)n(C)n(-c2ccccc2)c1=O)CC1CC1 ZINC000000757416 431206587 /nfs/dbraw/zinc/20/65/87/431206587.db2.gz STXNTVXYAOSQSQ-UHFFFAOYSA-N 1 0 313.445 3.106 50 0 DGAARO c1[nH]c2ccccc2c1C1CC[NH+](C[C@@H]2CCOCO2)CC1 ZINC000069667440 431209963 /nfs/dbraw/zinc/20/99/63/431209963.db2.gz CBBYDLOPZGMKRC-HNNXBMFYSA-N 1 0 300.402 3.110 50 0 DGAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cccs1 ZINC000069652469 431210737 /nfs/dbraw/zinc/21/07/37/431210737.db2.gz LXQRLGCELXIWEY-HOTGVXAUSA-N 1 0 306.475 3.156 50 0 DGAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000069709496 431212350 /nfs/dbraw/zinc/21/23/50/431212350.db2.gz OHXRVPGZJIBAHO-OALUTQOASA-N 1 0 323.440 3.324 50 0 DGAARO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1c(C)noc1C ZINC000069699366 431213351 /nfs/dbraw/zinc/21/33/51/431213351.db2.gz GBINCRTVKCZQMJ-AWEZNQCLSA-N 1 0 308.426 3.068 50 0 DGAARO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c2ccccc2n1 ZINC000069808312 431222324 /nfs/dbraw/zinc/22/23/24/431222324.db2.gz SZPCVBAMBZCNFH-OALUTQOASA-N 1 0 323.440 3.242 50 0 DGAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)n1 ZINC000069820214 431225555 /nfs/dbraw/zinc/22/55/55/431225555.db2.gz UXTXXKRZRVDOOT-IUYMFKLXSA-N 1 0 310.445 3.320 50 0 DGAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000069847209 431230271 /nfs/dbraw/zinc/23/02/71/431230271.db2.gz JEEXKXGUBKZAFD-WBVHZDCISA-N 1 0 309.413 3.493 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(-n2cnnn2)cc1 ZINC000095421147 279519608 /nfs/dbraw/zinc/51/96/08/279519608.db2.gz PECKWAPXQZQAJY-KPZWWZAWSA-N 1 0 323.375 3.140 50 0 DGAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000070039936 431239136 /nfs/dbraw/zinc/23/91/36/431239136.db2.gz GELPVQIWAMRQFT-IRXDYDNUSA-N 1 0 324.827 3.454 50 0 DGAARO COc1cccc2c(NCCCCCO[N+](=O)[O-])ccnc12 ZINC000002171949 431245576 /nfs/dbraw/zinc/24/55/76/431245576.db2.gz YBOILUNNGBGURC-UHFFFAOYSA-N 1 0 305.334 3.034 50 0 DGAARO Cc1ncsc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000071212646 431276196 /nfs/dbraw/zinc/27/61/96/431276196.db2.gz GJEBXZZZBXFUCG-UHFFFAOYSA-N 1 0 310.806 3.166 50 0 DGAARO CC(C)(C)[NH2+]CCOCCOc1ccccc1Br ZINC000002981019 431278069 /nfs/dbraw/zinc/27/80/69/431278069.db2.gz ZSNRQCNPAIOWQA-UHFFFAOYSA-N 1 0 316.239 3.233 50 0 DGAARO Cc1ccc(N2CCOC2=O)c(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071404051 431277976 /nfs/dbraw/zinc/27/79/76/431277976.db2.gz HOWZZKGOEOSLNH-UHFFFAOYSA-N 1 0 308.381 3.264 50 0 DGAARO CCOC(=O)c1ccc(OCCC[NH2+]Cc2ccco2)cc1 ZINC000003002661 431281237 /nfs/dbraw/zinc/28/12/37/431281237.db2.gz LQGKVOKKDTXTAH-UHFFFAOYSA-N 1 0 303.358 3.015 50 0 DGAARO OCC[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000003003254 431281286 /nfs/dbraw/zinc/28/12/86/431281286.db2.gz ROBGEKCVMHKZAP-UHFFFAOYSA-N 1 0 315.413 3.007 50 0 DGAARO Cc1ccsc1-c1nc(C[N@H+](C)CCc2cn[nH]c2)c(C)o1 ZINC000071762045 431287471 /nfs/dbraw/zinc/28/74/71/431287471.db2.gz SDZXAINNUDRPPD-UHFFFAOYSA-N 1 0 316.430 3.418 50 0 DGAARO CC1CC[NH+](CCC2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC000004738776 431299738 /nfs/dbraw/zinc/29/97/38/431299738.db2.gz FPRASQFPNVGTIH-UHFFFAOYSA-N 1 0 322.884 3.468 50 0 DGAARO Cc1cnn(CC[NH2+]Cc2csc(-c3ccccc3F)n2)c1 ZINC000071872147 431305941 /nfs/dbraw/zinc/30/59/41/431305941.db2.gz GZTMCYJJRABYFU-UHFFFAOYSA-N 1 0 316.405 3.244 50 0 DGAARO COc1ccccc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000002735125 431264011 /nfs/dbraw/zinc/26/40/11/431264011.db2.gz MKSNFKKOJNEKLN-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO COc1ccc(C[NH2+]CCc2ccccc2OC)c(OC)c1 ZINC000002738996 431267766 /nfs/dbraw/zinc/26/77/66/431267766.db2.gz YLQJXJDNEQOLME-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO COc1cccc(OCCOCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000002822225 431272836 /nfs/dbraw/zinc/27/28/36/431272836.db2.gz ITHJEVKAQFDUKH-HZPDHXFCSA-N 1 0 307.434 3.069 50 0 DGAARO Cc1nc(CN2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)co1 ZINC000072147898 431331816 /nfs/dbraw/zinc/33/18/16/431331816.db2.gz GPNIUQDJQPZTPN-VAMGGRTRSA-N 1 0 323.440 3.045 50 0 DGAARO Cc1ccc(N2CCC([N@@H+]3CCCn4cncc4C3)CC2)cc1 ZINC000072148669 431331970 /nfs/dbraw/zinc/33/19/70/431331970.db2.gz VSAPIOFPHFUYGU-UHFFFAOYSA-N 1 0 310.445 3.066 50 0 DGAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1ccc(F)c(F)c1 ZINC000008187830 431384435 /nfs/dbraw/zinc/38/44/35/431384435.db2.gz BUNYGXSEUMBLAI-CHWSQXEVSA-N 1 0 308.372 3.415 50 0 DGAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000008328270 431393967 /nfs/dbraw/zinc/39/39/67/431393967.db2.gz SDAWAFPNWRNNSF-IGCXYCKISA-N 1 0 317.433 3.140 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2ccccc2o1 ZINC000008351286 431395776 /nfs/dbraw/zinc/39/57/76/431395776.db2.gz LNYPMKIIOFZSMU-CQSZACIVSA-N 1 0 300.402 3.427 50 0 DGAARO COc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008585866 431403366 /nfs/dbraw/zinc/40/33/66/431403366.db2.gz ABDCMLARYPYEPF-GFCCVEGCSA-N 1 0 300.402 3.489 50 0 DGAARO CCOc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000008673968 431405767 /nfs/dbraw/zinc/40/57/67/431405767.db2.gz HOESLZSNUXHRMA-UHFFFAOYSA-N 1 0 304.434 3.080 50 0 DGAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008697201 431406458 /nfs/dbraw/zinc/40/64/58/431406458.db2.gz QFTXJWUHFUFSLI-SFHVURJKSA-N 1 0 305.462 3.117 50 0 DGAARO Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1N1CCCC1 ZINC000008720786 431408132 /nfs/dbraw/zinc/40/81/32/431408132.db2.gz CQVIKFCHNYTDPP-MRXNPFEDSA-N 1 0 315.461 3.408 50 0 DGAARO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000008748173 431412809 /nfs/dbraw/zinc/41/28/09/431412809.db2.gz FXQVMEZQPDTLNE-GOSISDBHSA-N 1 0 310.397 3.471 50 0 DGAARO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000008748176 431412894 /nfs/dbraw/zinc/41/28/94/431412894.db2.gz FXQVMEZQPDTLNE-SFHVURJKSA-N 1 0 310.397 3.471 50 0 DGAARO Cc1nc(-c2cccc(NC(=O)C[NH2+]C(C)(C)C)c2)cs1 ZINC000009607410 431439357 /nfs/dbraw/zinc/43/93/57/431439357.db2.gz QDTLIMJOASBYRU-UHFFFAOYSA-N 1 0 303.431 3.445 50 0 DGAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+]Cc2ccco2)c1 ZINC000009970626 431451182 /nfs/dbraw/zinc/45/11/82/431451182.db2.gz FGVZKHBHOQAUHM-OAHLLOKOSA-N 1 0 303.402 3.241 50 0 DGAARO COc1ccc(CC[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000075132304 431453102 /nfs/dbraw/zinc/45/31/02/431453102.db2.gz RHBJAKDDMXRXCB-SFHVURJKSA-N 1 0 313.445 3.425 50 0 DGAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)c1 ZINC000010228871 431456936 /nfs/dbraw/zinc/45/69/36/431456936.db2.gz ITXBDYMDBXJUTJ-SFHVURJKSA-N 1 0 310.397 3.131 50 0 DGAARO C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000075143222 431458187 /nfs/dbraw/zinc/45/81/87/431458187.db2.gz GVHLKOWQSAITOY-KBXCAEBGSA-N 1 0 315.461 3.059 50 0 DGAARO Cc1ccc([C@@H](CNC(=O)CCc2ccccc2)[NH+](C)C)cc1 ZINC000010328881 431460935 /nfs/dbraw/zinc/46/09/35/431460935.db2.gz XCUHXEPOIOKXQP-LJQANCHMSA-N 1 0 310.441 3.347 50 0 DGAARO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000009416925 431432459 /nfs/dbraw/zinc/43/24/59/431432459.db2.gz HVELSRUWCHJXKN-CABCVRRESA-N 1 0 304.434 3.296 50 0 DGAARO COCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000076016831 431516055 /nfs/dbraw/zinc/51/60/55/431516055.db2.gz DOWVNNUVUNKZBF-INIZCTEOSA-N 1 0 304.434 3.154 50 0 DGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000012593559 431518792 /nfs/dbraw/zinc/51/87/92/431518792.db2.gz OMPPTOMQPFZOON-MRXNPFEDSA-N 1 0 314.454 3.390 50 0 DGAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000012787373 431529993 /nfs/dbraw/zinc/52/99/93/431529993.db2.gz IYFZEEICDFOXOE-UHFFFAOYSA-N 1 0 318.396 3.037 50 0 DGAARO CC[NH2+]CC[C@H]1CCC(=O)N1CC1C2CC3CC(C2)CC1C3 ZINC000012329703 431500596 /nfs/dbraw/zinc/50/05/96/431500596.db2.gz GFMGSBRFSUQONV-SVXFNXITSA-N 1 0 304.478 3.049 50 0 DGAARO Cc1c(C)n(CC[NH+](C)C)c2nc3c(c(N)c12)CCCCC3 ZINC000012321378 431500801 /nfs/dbraw/zinc/50/08/01/431500801.db2.gz JLJYOGBNUFXZLG-UHFFFAOYSA-N 1 0 300.450 3.066 50 0 DGAARO Cc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012474921 431509291 /nfs/dbraw/zinc/50/92/91/431509291.db2.gz GFZFAZDCVHIPOI-CALCHBBNSA-N 1 0 302.462 3.069 50 0 DGAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3C[C@H](C)C[C@@H](C)C3)c2c1 ZINC000013535299 431558547 /nfs/dbraw/zinc/55/85/47/431558547.db2.gz CAPKXBVTQCWBKD-SNUQEOBHSA-N 1 0 302.418 3.188 50 0 DGAARO CCOc1ccc(C[NH2+]Cc2ccccc2OC)cc1OC ZINC000013720531 431567936 /nfs/dbraw/zinc/56/79/36/431567936.db2.gz OYCRQWPPVBIZIZ-UHFFFAOYSA-N 1 0 301.386 3.392 50 0 DGAARO Cc1ccccc1C[NH+]1CCC(C(=O)NC2CCCC2)CC1 ZINC000013945736 431573288 /nfs/dbraw/zinc/57/32/88/431573288.db2.gz TYQHJANYIBMWKO-UHFFFAOYSA-N 1 0 300.446 3.266 50 0 DGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC000077458214 431597634 /nfs/dbraw/zinc/59/76/34/431597634.db2.gz GNKNQNUERXZZKJ-KRWDZBQOSA-N 1 0 313.445 3.058 50 0 DGAARO c1cnn(CC[C@H]2CCCC[N@H+]2CCOCc2ccccc2)c1 ZINC000077485456 431599195 /nfs/dbraw/zinc/59/91/95/431599195.db2.gz WQKDKQCTDMPGDV-LJQANCHMSA-N 1 0 313.445 3.345 50 0 DGAARO c1cnn(CC[C@@H]2CCCC[N@H+]2CCOCc2ccccc2)c1 ZINC000077485458 431600712 /nfs/dbraw/zinc/60/07/12/431600712.db2.gz WQKDKQCTDMPGDV-IBGZPJMESA-N 1 0 313.445 3.345 50 0 DGAARO OC[C@@H]1COCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000077538904 431604396 /nfs/dbraw/zinc/60/43/96/431604396.db2.gz XWEPFZZCBZXEOF-CYBMUJFWSA-N 1 0 321.804 3.041 50 0 DGAARO C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCCCCC1 ZINC000014167319 431582431 /nfs/dbraw/zinc/58/24/31/431582431.db2.gz MSCPGASUWWFZDS-GFCCVEGCSA-N 1 0 312.360 3.491 50 0 DGAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 ZINC000014161787 431583458 /nfs/dbraw/zinc/58/34/58/431583458.db2.gz ZUYGSQPXFRAORF-UHFFFAOYSA-N 1 0 301.365 3.209 50 0 DGAARO c1cnn(-c2cccc(CN3CCC[N@@H+](C4CCCC4)CC3)c2)c1 ZINC000077386171 431591628 /nfs/dbraw/zinc/59/16/28/431591628.db2.gz ZVZVJUFOFMKMGP-UHFFFAOYSA-N 1 0 324.472 3.323 50 0 DGAARO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1F ZINC000025331181 431650657 /nfs/dbraw/zinc/65/06/57/431650657.db2.gz MOPHONUERHOYHI-HNNXBMFYSA-N 1 0 306.406 3.228 50 0 DGAARO Cc1oc(C)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000025382884 431654496 /nfs/dbraw/zinc/65/44/96/431654496.db2.gz OCHGDGAMFKKZJQ-INIZCTEOSA-N 1 0 318.392 3.377 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)CCCc1cccs1)c1ccccc1 ZINC000025419510 431655534 /nfs/dbraw/zinc/65/55/34/431655534.db2.gz MLDWPLKHSHIETC-KRWDZBQOSA-N 1 0 316.470 3.490 50 0 DGAARO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)nc2ccccc21 ZINC000025439914 431656421 /nfs/dbraw/zinc/65/64/21/431656421.db2.gz KZMYVFUUQGPVNB-MRXNPFEDSA-N 1 0 319.408 3.130 50 0 DGAARO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1 ZINC000024067229 431640397 /nfs/dbraw/zinc/64/03/97/431640397.db2.gz OSIUPZFBZGXATM-UHFFFAOYSA-N 1 0 323.440 3.010 50 0 DGAARO Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000025197773 431648318 /nfs/dbraw/zinc/64/83/18/431648318.db2.gz VOIHNUNUMKRMPP-HOTGVXAUSA-N 1 0 304.434 3.131 50 0 DGAARO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000078420173 431665831 /nfs/dbraw/zinc/66/58/31/431665831.db2.gz BMTLIYNXEYKVDN-SFHVURJKSA-N 1 0 324.428 3.166 50 0 DGAARO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000078420177 431666366 /nfs/dbraw/zinc/66/63/66/431666366.db2.gz BMTLIYNXEYKVDN-GOSISDBHSA-N 1 0 324.428 3.166 50 0 DGAARO COc1ccc([C@H](CNc2cnc3ccccc3n2)[NH+](C)C)cc1 ZINC000026135472 431669189 /nfs/dbraw/zinc/66/91/89/431669189.db2.gz OSEGTQZZAYHLLY-SFHVURJKSA-N 1 0 322.412 3.353 50 0 DGAARO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(F)cc1 ZINC000027369512 431685190 /nfs/dbraw/zinc/68/51/90/431685190.db2.gz PFUZVWUXQGLSQE-QGZVFWFLSA-N 1 0 300.377 3.412 50 0 DGAARO Cc1n[nH]cc1C[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000078602421 431685284 /nfs/dbraw/zinc/68/52/84/431685284.db2.gz VFYXCKQHUIWDPB-UHFFFAOYSA-N 1 0 319.836 3.210 50 0 DGAARO CN(C)C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000028317069 431705732 /nfs/dbraw/zinc/70/57/32/431705732.db2.gz METLGLASTQLSIU-HXUWFJFHSA-N 1 0 320.440 3.265 50 0 DGAARO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1Cl ZINC000078806481 431709468 /nfs/dbraw/zinc/70/94/68/431709468.db2.gz GRZREEYLUNVUHL-ZDUSSCGKSA-N 1 0 302.805 3.421 50 0 DGAARO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000025634684 431662732 /nfs/dbraw/zinc/66/27/32/431662732.db2.gz BTSUDRRVLQTIBR-ZDUSSCGKSA-N 1 0 312.413 3.073 50 0 DGAARO CC[N@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C1CC1 ZINC000029913167 431728971 /nfs/dbraw/zinc/72/89/71/431728971.db2.gz IAPOOYZVFFZAFV-CQSZACIVSA-N 1 0 300.446 3.227 50 0 DGAARO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000030668712 431743838 /nfs/dbraw/zinc/74/38/38/431743838.db2.gz WIZLTOTUHXFJQV-UHFFFAOYSA-N 1 0 318.804 3.327 50 0 DGAARO Clc1ccc(C[NH2+]Cc2cccnc2-n2cccn2)s1 ZINC000030902054 431746799 /nfs/dbraw/zinc/74/67/99/431746799.db2.gz PCZNABNOBUCROT-UHFFFAOYSA-N 1 0 304.806 3.272 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)on1)c1ccsc1 ZINC000031097313 431753175 /nfs/dbraw/zinc/75/31/75/431753175.db2.gz MQQVZAUXRNKKAS-CYBMUJFWSA-N 1 0 322.434 3.249 50 0 DGAARO CC(C)c1ccccc1OC(C)(C)C(=O)NC1CC[NH+](C)CC1 ZINC000012383098 280642889 /nfs/dbraw/zinc/64/28/89/280642889.db2.gz HNYQMSHVOKXJPT-UHFFFAOYSA-N 1 0 318.461 3.178 50 0 DGAARO C[N@H+](CCCO)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032759733 431789521 /nfs/dbraw/zinc/78/95/21/431789521.db2.gz BCUBKWOOFUNXGP-UHFFFAOYSA-N 1 0 321.424 3.354 50 0 DGAARO Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911500 431799406 /nfs/dbraw/zinc/79/94/06/431799406.db2.gz LUFXDMVPMQNUDZ-GOSISDBHSA-N 1 0 308.425 3.389 50 0 DGAARO O=C(CCc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911508 431799640 /nfs/dbraw/zinc/79/96/40/431799640.db2.gz BESWPNHXEWTKLZ-FQEVSTJZSA-N 1 0 322.452 3.400 50 0 DGAARO C[NH+](C)CC(C)(C)CNc1nn2cc(C(C)(C)C)nc2s1 ZINC000032908975 431800113 /nfs/dbraw/zinc/80/01/13/431800113.db2.gz NFHHABFEDBJCGC-UHFFFAOYSA-N 1 0 309.483 3.088 50 0 DGAARO Cc1ccccc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398883 431776379 /nfs/dbraw/zinc/77/63/79/431776379.db2.gz ZGQAQGJZIJPFPU-UHFFFAOYSA-N 1 0 308.425 3.173 50 0 DGAARO Cc1ccc(-n2cc(CN3CCC[C@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000020537440 280745094 /nfs/dbraw/zinc/74/50/94/280745094.db2.gz VIQKZPAFNUFZBI-FQEVSTJZSA-N 1 0 324.472 3.241 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)nc12 ZINC000032511175 431781847 /nfs/dbraw/zinc/78/18/47/431781847.db2.gz MPTQRAIMBWSTCP-JKSUJKDBSA-N 1 0 311.429 3.015 50 0 DGAARO CCc1ccc([C@H](CNC(=O)/C=C/c2ccco2)[NH+](C)C)cc1 ZINC000032735581 431787419 /nfs/dbraw/zinc/78/74/19/431787419.db2.gz UPZYMXGXEQPWBT-DXRVJIQQSA-N 1 0 312.413 3.274 50 0 DGAARO Cc1nc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cs1 ZINC000036932240 431842735 /nfs/dbraw/zinc/84/27/35/431842735.db2.gz YWFNTUMGROERIX-GFCCVEGCSA-N 1 0 302.447 3.166 50 0 DGAARO CC[NH+]1CCN(c2cc(Oc3cccc(Cl)c3)ncn2)CC1 ZINC000037623669 431848539 /nfs/dbraw/zinc/84/85/39/431848539.db2.gz AZOFOKPPAXBSBZ-UHFFFAOYSA-N 1 0 318.808 3.064 50 0 DGAARO CCOC(=O)N1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000089153727 431860069 /nfs/dbraw/zinc/86/00/69/431860069.db2.gz XPDJYFXWBKJJAK-NVXWUHKLSA-N 1 0 302.418 3.001 50 0 DGAARO CS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000089319431 431863647 /nfs/dbraw/zinc/86/36/47/431863647.db2.gz OFFPAQDWPSWJQS-HZPDHXFCSA-N 1 0 321.490 3.496 50 0 DGAARO Cc1ccoc1[C@@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000089515254 431869160 /nfs/dbraw/zinc/86/91/60/431869160.db2.gz YYUCBNYFHMADEZ-CHWSQXEVSA-N 1 0 322.430 3.371 50 0 DGAARO Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000034670472 431819199 /nfs/dbraw/zinc/81/91/99/431819199.db2.gz CFUVMFQEPYTRJC-SFHVURJKSA-N 1 0 301.361 3.106 50 0 DGAARO Fc1ccc(CN2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000034670474 431819473 /nfs/dbraw/zinc/81/94/73/431819473.db2.gz CFUVMFQEPYTRJC-GOSISDBHSA-N 1 0 301.361 3.106 50 0 DGAARO C[C@H](CCc1ccccc1)NC(=O)CN1CCc2ccccc2C1 ZINC000034858979 431819976 /nfs/dbraw/zinc/81/99/76/431819976.db2.gz PTERKYMSIYGEGY-QGZVFWFLSA-N 1 0 322.452 3.182 50 0 DGAARO Cc1cnc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cn1 ZINC000084258389 431820890 /nfs/dbraw/zinc/82/08/90/431820890.db2.gz NYLAKSMLXHCUEI-IBGZPJMESA-N 1 0 311.429 3.047 50 0 DGAARO O=C(C1CC1)N(Cc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1 ZINC000034928798 431821205 /nfs/dbraw/zinc/82/12/05/431821205.db2.gz AMLPMNOKTCDBPX-UHFFFAOYSA-N 1 0 322.408 3.112 50 0 DGAARO CC(C)(C)c1nc(C[NH2+]C[C@@H]2CCCn3ccnc32)cs1 ZINC000084284816 431821106 /nfs/dbraw/zinc/82/11/06/431821106.db2.gz XVYWBWVPOOWFLP-LBPRGKRZSA-N 1 0 304.463 3.304 50 0 DGAARO CN(C)C(=O)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000035286715 431828656 /nfs/dbraw/zinc/82/86/56/431828656.db2.gz JZGWWMMDCDIQEF-IBGZPJMESA-N 1 0 321.424 3.130 50 0 DGAARO C[C@H](CNC(=O)c1cc2ccccc2cc1O)C[NH+]1CCCC1 ZINC000084638469 431831466 /nfs/dbraw/zinc/83/14/66/431831466.db2.gz SWTNKYBQJJQVNW-CQSZACIVSA-N 1 0 312.413 3.007 50 0 DGAARO CCOc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000084811025 431833500 /nfs/dbraw/zinc/83/35/00/431833500.db2.gz AQQWAANYNLFHTO-UHFFFAOYSA-N 1 0 319.449 3.327 50 0 DGAARO CCC[N@@H+](Cc1ccco1)C[C@H](O)COCc1ccccc1 ZINC000036096494 431835858 /nfs/dbraw/zinc/83/58/58/431835858.db2.gz KUFDGDMEPORTMO-KRWDZBQOSA-N 1 0 303.402 3.069 50 0 DGAARO COCCC[NH2+]Cc1csc(COc2cc(C)cc(C)c2)n1 ZINC000036104775 431836923 /nfs/dbraw/zinc/83/69/23/431836923.db2.gz JHPRSMDZBDLZDM-UHFFFAOYSA-N 1 0 320.458 3.465 50 0 DGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C(C)C ZINC000047686005 431914898 /nfs/dbraw/zinc/91/48/98/431914898.db2.gz YYWGBMGUOOLKHZ-HNNXBMFYSA-N 1 0 305.466 3.372 50 0 DGAARO COc1cccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000047794753 431915711 /nfs/dbraw/zinc/91/57/11/431915711.db2.gz AYBPATYPMMGNBJ-IBGZPJMESA-N 1 0 324.424 3.149 50 0 DGAARO CCCc1cc(N2CCC([NH2+]Cc3ccoc3)CC2)nc(C)n1 ZINC000095503818 431926409 /nfs/dbraw/zinc/92/64/09/431926409.db2.gz JTSIFWDPBZDXIN-UHFFFAOYSA-N 1 0 314.433 3.089 50 0 DGAARO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000048260460 431921542 /nfs/dbraw/zinc/92/15/42/431921542.db2.gz NXQGUMLWFWERRK-JTQLQIEISA-N 1 0 314.364 3.265 50 0 DGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCc3ccccc32)C1 ZINC000048283974 431921854 /nfs/dbraw/zinc/92/18/54/431921854.db2.gz XRYPQJJGHAEXRX-CRAIPNDOSA-N 1 0 315.461 3.095 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc[nH]1 ZINC000048276603 431921896 /nfs/dbraw/zinc/92/18/96/431921896.db2.gz WLNJJPYSJMQBTG-UHFFFAOYSA-N 1 0 317.820 3.063 50 0 DGAARO CCc1cc(NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncn1 ZINC000095359268 431922765 /nfs/dbraw/zinc/92/27/65/431922765.db2.gz VVJUPZVNOPXZSD-QGZVFWFLSA-N 1 0 310.445 3.363 50 0 DGAARO O=C(CCC[NH+]1CCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000095366926 431922777 /nfs/dbraw/zinc/92/27/77/431922777.db2.gz IRTLEJIKMZCPHV-OAHLLOKOSA-N 1 0 321.490 3.463 50 0 DGAARO CCc1cc(NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)ncn1 ZINC000095359269 431923104 /nfs/dbraw/zinc/92/31/04/431923104.db2.gz VVJUPZVNOPXZSD-KRWDZBQOSA-N 1 0 310.445 3.363 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCOc1ccccc1Cl ZINC000095368373 431923423 /nfs/dbraw/zinc/92/34/23/431923423.db2.gz SNIKFPISELTZQV-CQSZACIVSA-N 1 0 324.852 3.100 50 0 DGAARO Cc1ccc(CCNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)o1 ZINC000095383828 431923907 /nfs/dbraw/zinc/92/39/07/431923907.db2.gz YRJMYYJVIPXIJC-QGZVFWFLSA-N 1 0 312.413 3.028 50 0 DGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCCSc1ccccc1 ZINC000095381504 431924096 /nfs/dbraw/zinc/92/40/96/431924096.db2.gz KLPXVTTUXMULHS-INIZCTEOSA-N 1 0 306.475 3.159 50 0 DGAARO Cc1nc2sccc2c(N2CC([N@H+]3CCCC[C@H]3C)C2)n1 ZINC000095370428 431924122 /nfs/dbraw/zinc/92/41/22/431924122.db2.gz KUJSAEYYPWBSOT-LLVKDONJSA-N 1 0 302.447 3.063 50 0 DGAARO O[C@@H](C[N@@H+]1C[C@H](O)C[C@@H]1C1CCCCC1)c1ccc(Cl)cc1 ZINC000095459089 431926516 /nfs/dbraw/zinc/92/65/16/431926516.db2.gz POSTXSRYADKAGM-KURKYZTESA-N 1 0 323.864 3.389 50 0 DGAARO Cc1ccc(OC[C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)cc1 ZINC000095409635 431924750 /nfs/dbraw/zinc/92/47/50/431924750.db2.gz MUUWVHMSAOPYSV-OYHNWAKOSA-N 1 0 317.454 3.290 50 0 DGAARO CNC(=O)c1cccc(CC[NH2+][C@H]2CCCc3sccc32)c1 ZINC000095423019 431924757 /nfs/dbraw/zinc/92/47/57/431924757.db2.gz YXIYGIQQOSIHEL-INIZCTEOSA-N 1 0 314.454 3.317 50 0 DGAARO CC(C)CSC[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000095420315 431925195 /nfs/dbraw/zinc/92/51/95/431925195.db2.gz QGKLVLKUIUMVTH-HNNXBMFYSA-N 1 0 307.507 3.418 50 0 DGAARO COc1ccccc1[C@H](CNc1nc2ccccc2n1C)[NH+](C)C ZINC000089749741 431876840 /nfs/dbraw/zinc/87/68/40/431876840.db2.gz KMBUKEFIUOSCCZ-KRWDZBQOSA-N 1 0 324.428 3.297 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)o1 ZINC000044949445 431878932 /nfs/dbraw/zinc/87/89/32/431878932.db2.gz OMJQDAMLKOCLMK-OLZOCXBDSA-N 1 0 321.446 3.313 50 0 DGAARO COc1ccccc1OCC[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000044975823 431880149 /nfs/dbraw/zinc/88/01/49/431880149.db2.gz VYADMCLLLDQWTI-AWEZNQCLSA-N 1 0 302.374 3.208 50 0 DGAARO C[C@@H]([NH2+]CCc1ccccn1)c1c(Cl)nc2sccn21 ZINC000095427051 431925528 /nfs/dbraw/zinc/92/55/28/431925528.db2.gz MTCOJAPGGCVFMU-SNVBAGLBSA-N 1 0 306.822 3.338 50 0 DGAARO CC(C)(CNC(=O)C[C@@H]1C=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000045455500 431885578 /nfs/dbraw/zinc/88/55/78/431885578.db2.gz LHTIXSNZJHAZAX-MRXNPFEDSA-N 1 0 312.457 3.296 50 0 DGAARO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[N@H+](C)C[C@@H]1C ZINC000089938894 431886496 /nfs/dbraw/zinc/88/64/96/431886496.db2.gz FWOZSCZVIKOMRB-RYUDHWBXSA-N 1 0 320.824 3.087 50 0 DGAARO Cc1cccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000045701200 431888392 /nfs/dbraw/zinc/88/83/92/431888392.db2.gz WXOSCIFZLZNPKA-UHFFFAOYSA-N 1 0 317.477 3.306 50 0 DGAARO CC(C)[NH2+]C1(c2nnnn2-c2ccc(Cl)cc2)CCCC1 ZINC000046078195 431894348 /nfs/dbraw/zinc/89/43/48/431894348.db2.gz QXVJUYLTQFLPER-UHFFFAOYSA-N 1 0 305.813 3.083 50 0 DGAARO C[C@H]1CCC[C@]2(C1)NCC[NH+]=C2NCc1ccccc1Cl ZINC000046153195 431894877 /nfs/dbraw/zinc/89/48/77/431894877.db2.gz NYRNSSHXCMXDEM-SUMWQHHRSA-N 1 0 305.853 3.380 50 0 biogenic DGAARO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)s1 ZINC000090801378 431895699 /nfs/dbraw/zinc/89/56/99/431895699.db2.gz UTFKZIWHNOIEDE-GXTWGEPZSA-N 1 0 316.474 3.338 50 0 DGAARO Cc1ccsc1[C@@H](CNc1ncnc2onc(C)c21)[NH+](C)C ZINC000091551581 431904590 /nfs/dbraw/zinc/90/45/90/431904590.db2.gz PKVSUXLSJPEMLI-LLVKDONJSA-N 1 0 317.418 3.011 50 0 DGAARO CC(C)c1ccnc(NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000092099935 431907190 /nfs/dbraw/zinc/90/71/90/431907190.db2.gz YSHVUHMUABPFFQ-UHFFFAOYSA-N 1 0 318.465 3.047 50 0 DGAARO CCSCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000097499587 431970854 /nfs/dbraw/zinc/97/08/54/431970854.db2.gz LSAWAVPJJLQLNM-UHFFFAOYSA-N 1 0 306.475 3.155 50 0 DGAARO C[C@H](c1ccc(C(=O)N2CCSCC2)o1)[NH+]1CCCCC1 ZINC000097570898 431971173 /nfs/dbraw/zinc/97/11/73/431971173.db2.gz ZVEPOLVZLVGVLR-CYBMUJFWSA-N 1 0 308.447 3.016 50 0 DGAARO Cc1noc([C@H]2CCC[N@H+](CCCOc3ccc(F)cc3)C2)n1 ZINC000054676929 431973325 /nfs/dbraw/zinc/97/33/25/431973325.db2.gz WDCATWZPEUAWSB-AWEZNQCLSA-N 1 0 319.380 3.166 50 0 DGAARO O=C(CC[NH+]1CCCCCCC1)NCc1cc2ccccc2[nH]1 ZINC000097733006 431974204 /nfs/dbraw/zinc/97/42/04/431974204.db2.gz WLFYUSVNCDZZCA-UHFFFAOYSA-N 1 0 313.445 3.440 50 0 DGAARO Cc1cc(C)n(CCC[N@H+](Cc2ccccc2)C[C@@H](C)CO)n1 ZINC000055052646 431975242 /nfs/dbraw/zinc/97/52/42/431975242.db2.gz JSWBYFIKMSSHPQ-MRXNPFEDSA-N 1 0 315.461 3.021 50 0 DGAARO COCC[N@H+](CCCn1nc(C)cc1C)Cc1ccc(C)cc1 ZINC000055041931 431975249 /nfs/dbraw/zinc/97/52/49/431975249.db2.gz VKXUVFRITMZWRM-UHFFFAOYSA-N 1 0 315.461 3.347 50 0 DGAARO Cc1cc(C)n(CCCN(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000055088236 431976425 /nfs/dbraw/zinc/97/64/25/431976425.db2.gz XZTLVIAONOYQAW-UHFFFAOYSA-N 1 0 320.506 3.015 50 0 DGAARO CCSCCN(C(=O)CC1=CC[NH2+]CC1)C1CCCCC1 ZINC000055107600 431977145 /nfs/dbraw/zinc/97/71/45/431977145.db2.gz MBORQGKGHPUUFM-UHFFFAOYSA-N 1 0 310.507 3.211 50 0 DGAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cnc(COC)nc1 ZINC000055131428 431977348 /nfs/dbraw/zinc/97/73/48/431977348.db2.gz IIFMQKXASUJKQL-CYBMUJFWSA-N 1 0 305.447 3.485 50 0 DGAARO Cc1cccc(C[NH2+]C2(C(=O)NCC3CC3)CCCC2)c1C ZINC000095943552 431927213 /nfs/dbraw/zinc/92/72/13/431927213.db2.gz PLPXCLXIDVWMIS-UHFFFAOYSA-N 1 0 300.446 3.232 50 0 DGAARO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000095961369 431927876 /nfs/dbraw/zinc/92/78/76/431927876.db2.gz QOFVXUYZARLGQV-OLZOCXBDSA-N 1 0 319.836 3.358 50 0 DGAARO C[C@H]1CCC[C@H](C)[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000095961370 431928056 /nfs/dbraw/zinc/92/80/56/431928056.db2.gz QOFVXUYZARLGQV-STQMWFEESA-N 1 0 319.836 3.358 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)[C@H]1CCOC1 ZINC000095961931 431929277 /nfs/dbraw/zinc/92/92/77/431929277.db2.gz PMYVMJIWPJCPOW-ONGXEEELSA-N 1 0 302.187 3.103 50 0 DGAARO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(OC(C)C)cc1)C1CC1 ZINC000095963735 431929448 /nfs/dbraw/zinc/92/94/48/431929448.db2.gz MFBREHNJOAWSFQ-AWEZNQCLSA-N 1 0 305.418 3.247 50 0 DGAARO CCc1ccc([C@@H](C)[NH2+]CCc2ccc(S(C)(=O)=O)cc2)o1 ZINC000095968553 431929849 /nfs/dbraw/zinc/92/98/49/431929849.db2.gz PSHKQVVORFPVSS-CYBMUJFWSA-N 1 0 321.442 3.139 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1F ZINC000095968114 431930000 /nfs/dbraw/zinc/93/00/00/431930000.db2.gz PMYRZIPWMLDMFS-BIBXISHDSA-N 1 0 301.427 3.032 50 0 DGAARO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2CC2(CO)COC2)cc1 ZINC000095978928 431930798 /nfs/dbraw/zinc/93/07/98/431930798.db2.gz MFQSLXNAOWYNFV-SFHVURJKSA-N 1 0 303.446 3.346 50 0 DGAARO Cc1ccc(C)c(OC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000095975615 431930819 /nfs/dbraw/zinc/93/08/19/431930819.db2.gz BZUJULODEPSJMM-ROUUACIJSA-N 1 0 303.446 3.450 50 0 DGAARO O=C(c1cc2occc2[nH]1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000095979060 431931008 /nfs/dbraw/zinc/93/10/08/431931008.db2.gz XKYXYMIJBKSXAQ-OAHLLOKOSA-N 1 0 323.396 3.155 50 0 DGAARO CCc1ccc(CCC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000095979432 431931112 /nfs/dbraw/zinc/93/11/12/431931112.db2.gz FEKHGBHVVSTXHX-INIZCTEOSA-N 1 0 316.489 3.370 50 0 DGAARO FC(F)CN1CCC([NH2+]C[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000095986485 431931325 /nfs/dbraw/zinc/93/13/25/431931325.db2.gz LHLUSPNQQTVNOW-KXBFYZLASA-N 1 0 320.427 3.210 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]CCc1cccc2cccnc21 ZINC000048710857 431931453 /nfs/dbraw/zinc/93/14/53/431931453.db2.gz BUUHHIWSHWVZNJ-UHFFFAOYSA-N 1 0 308.429 3.424 50 0 DGAARO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000095985862 431932059 /nfs/dbraw/zinc/93/20/59/431932059.db2.gz KBCWOZASMDBHQZ-OAHLLOKOSA-N 1 0 323.440 3.458 50 0 DGAARO Cc1noc(C)c1C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000095990179 431932631 /nfs/dbraw/zinc/93/26/31/431932631.db2.gz DAGXFAIXZLOGHE-GFCCVEGCSA-N 1 0 323.799 3.452 50 0 DGAARO CCS[C@H]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000095990243 431932650 /nfs/dbraw/zinc/93/26/50/431932650.db2.gz AGGIHLVDXLJDQP-KBPBESRZSA-N 1 0 311.520 3.376 50 0 DGAARO Cc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)cc1O ZINC000095996984 431933810 /nfs/dbraw/zinc/93/38/10/431933810.db2.gz YTXXJMJURGPHGI-UHFFFAOYSA-N 1 0 314.404 3.470 50 0 DGAARO CCn1c(C)cc2cc(NC(=O)N3CCC[N@H+](C)CC3)ccc21 ZINC000096142171 431939899 /nfs/dbraw/zinc/93/98/99/431939899.db2.gz XBTTWXFQMNSIRZ-UHFFFAOYSA-N 1 0 314.433 3.139 50 0 DGAARO O=C(NCc1ccccc1F)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050025810 431945164 /nfs/dbraw/zinc/94/51/64/431945164.db2.gz YRBWJMWUCBANOI-GOSISDBHSA-N 1 0 312.388 3.107 50 0 DGAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccco1 ZINC000096432963 431948810 /nfs/dbraw/zinc/94/88/10/431948810.db2.gz ZZDAPLYYOVNWEW-HJCTWCACSA-N 1 0 324.424 3.273 50 0 DGAARO COc1ccc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)cn1 ZINC000126369737 431949024 /nfs/dbraw/zinc/94/90/24/431949024.db2.gz OOHXECKBWCHKNV-GFCCVEGCSA-N 1 0 302.422 3.201 50 0 DGAARO Cc1cnccc1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000096436398 431949431 /nfs/dbraw/zinc/94/94/31/431949431.db2.gz JMDRWMBVDSGCCI-UHFFFAOYSA-N 1 0 309.369 3.450 50 0 DGAARO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000096456815 431951543 /nfs/dbraw/zinc/95/15/43/431951543.db2.gz MTAGOELAQZZPDT-XIKOKIGWSA-N 1 0 312.388 3.338 50 0 DGAARO C[N@H+](Cc1ccncc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000096455321 431951818 /nfs/dbraw/zinc/95/18/18/431951818.db2.gz UOYYQQKQYRDVDF-UHFFFAOYSA-N 1 0 319.449 3.349 50 0 DGAARO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccsc1 ZINC000096478874 431952819 /nfs/dbraw/zinc/95/28/19/431952819.db2.gz KJYLUNXVMURLIJ-STQMWFEESA-N 1 0 313.430 3.178 50 0 DGAARO CC(=O)Nc1cccc([C@H](C)NCC[N@@H+](C(C)C)C2CC2)c1 ZINC000096477195 431953059 /nfs/dbraw/zinc/95/30/59/431953059.db2.gz PVMAVTYSPVBINC-AWEZNQCLSA-N 1 0 303.450 3.168 50 0 DGAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000096476536 431953166 /nfs/dbraw/zinc/95/31/66/431953166.db2.gz NXUZUQOZHLISES-CXAGYDPISA-N 1 0 311.385 3.158 50 0 DGAARO CCc1noc([C@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000051793693 431953485 /nfs/dbraw/zinc/95/34/85/431953485.db2.gz GYTPDHFXJZIUNR-HNNXBMFYSA-N 1 0 320.481 3.281 50 0 DGAARO CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C ZINC000096492741 431953582 /nfs/dbraw/zinc/95/35/82/431953582.db2.gz IYBDTAGGJRWYEV-UONOGXRCSA-N 1 0 323.437 3.342 50 0 DGAARO O=C(CC1CCCCC1)NC1CC[NH+](Cc2ccco2)CC1 ZINC000096490033 431953986 /nfs/dbraw/zinc/95/39/86/431953986.db2.gz CBHUEUIHGAFCEC-UHFFFAOYSA-N 1 0 304.434 3.331 50 0 DGAARO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1cccc2ccccc21 ZINC000052500108 431956769 /nfs/dbraw/zinc/95/67/69/431956769.db2.gz WFSBDTFFBUWMBH-GOEBONIOSA-N 1 0 311.429 3.294 50 0 DGAARO C[C@H](Cc1ccsc1)NC(=O)NCCC[NH+]1CCCCCC1 ZINC000052499582 431956799 /nfs/dbraw/zinc/95/67/99/431956799.db2.gz LXYBCDNYBARVCS-OAHLLOKOSA-N 1 0 323.506 3.244 50 0 DGAARO CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCC(=O)N(C)C3)oc21 ZINC000097034557 431957011 /nfs/dbraw/zinc/95/70/11/431957011.db2.gz IKAFQMADPHBLLB-OCCSQVGLSA-N 1 0 316.401 3.103 50 0 DGAARO FC(F)(F)c1ccn(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000097048576 431958946 /nfs/dbraw/zinc/95/89/46/431958946.db2.gz RTUAVRBGFIWWKB-UHFFFAOYSA-N 1 0 310.323 3.134 50 0 DGAARO Cc1[nH+]c2ccccc2c(N2CCC[C@@H](c3nncn3C)C2)c1C ZINC000097085915 431960268 /nfs/dbraw/zinc/96/02/68/431960268.db2.gz NYYTUVQHANLHFF-OAHLLOKOSA-N 1 0 321.428 3.364 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000097098602 431960958 /nfs/dbraw/zinc/96/09/58/431960958.db2.gz XZLQSDKYVUYQRP-YJBOKZPZSA-N 1 0 321.486 3.313 50 0 DGAARO CC(=O)NC1CCC([NH2+]C[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000097102562 431961192 /nfs/dbraw/zinc/96/11/92/431961192.db2.gz WVPVVDBAWUPZMO-VCANKDNSSA-N 1 0 310.388 3.105 50 0 DGAARO CC(=O)NC1CCC([NH2+]C[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000097102561 431961285 /nfs/dbraw/zinc/96/12/85/431961285.db2.gz WVPVVDBAWUPZMO-QGLTVNCISA-N 1 0 310.388 3.105 50 0 DGAARO O=C(/C=C/c1ccccn1)Nc1ccccc1C[NH+]1CCCC1 ZINC000055343782 431980572 /nfs/dbraw/zinc/98/05/72/431980572.db2.gz GCEDPWWAJIKWGK-ZHACJKMWSA-N 1 0 307.397 3.329 50 0 DGAARO Cn1cc(C[NH2+]CC2(c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000097159939 431963583 /nfs/dbraw/zinc/96/35/83/431963583.db2.gz KCKGEHBLGXDTQH-UHFFFAOYSA-N 1 0 318.424 3.304 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000097159562 431963605 /nfs/dbraw/zinc/96/36/05/431963605.db2.gz QFOWRNVVVVPPOT-UHFFFAOYSA-N 1 0 323.444 3.242 50 0 DGAARO Cc1n[nH]c(C)c1C[NH2+]C1CCN(Cc2cccc(C)c2)CC1 ZINC000097159405 431963615 /nfs/dbraw/zinc/96/36/15/431963615.db2.gz RNTDBUAHHXUVIF-UHFFFAOYSA-N 1 0 312.461 3.089 50 0 DGAARO Cc1cc(C)n(CCC[N@@H+](CCCO)Cc2ccc(C)s2)n1 ZINC000055369076 431980631 /nfs/dbraw/zinc/98/06/31/431980631.db2.gz PVEZURDSFFSZEJ-UHFFFAOYSA-N 1 0 321.490 3.145 50 0 DGAARO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000097228291 431964990 /nfs/dbraw/zinc/96/49/90/431964990.db2.gz HRMDBJLUGLEKPA-GFCCVEGCSA-N 1 0 315.504 3.100 50 0 DGAARO CC(=O)Nc1ccc(N[C@@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000097232360 431966293 /nfs/dbraw/zinc/96/62/93/431966293.db2.gz LALIPIGEYYIYEO-NSHDSACASA-N 1 0 309.841 3.441 50 0 DGAARO CC[NH+](CC)[C@@H](CNc1nccc(OC)n1)c1ccsc1 ZINC000097286645 431967064 /nfs/dbraw/zinc/96/70/64/431967064.db2.gz ZPZDBSPZNLAEGK-ZDUSSCGKSA-N 1 0 306.435 3.042 50 0 DGAARO CCCOc1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1OC ZINC000097287736 431967109 /nfs/dbraw/zinc/96/71/09/431967109.db2.gz XBHJLWWYSJYXKX-MRXNPFEDSA-N 1 0 320.477 3.448 50 0 DGAARO Cc1cccc(Cl)c1OCCNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000097360172 431967933 /nfs/dbraw/zinc/96/79/33/431967933.db2.gz HAMCRTDLVDUMAA-OAHLLOKOSA-N 1 0 324.852 3.018 50 0 DGAARO c1ccc(COc2cccc(-c3nc4c([nH]3)C[NH2+]CC4)c2)cc1 ZINC000097463546 431969196 /nfs/dbraw/zinc/96/91/96/431969196.db2.gz TXBSIQDZBPAUOC-UHFFFAOYSA-N 1 0 305.381 3.301 50 0 DGAARO CCOc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000097474946 431969666 /nfs/dbraw/zinc/96/96/66/431969666.db2.gz YJASILIIPDAIDD-OAHLLOKOSA-N 1 0 324.852 3.181 50 0 DGAARO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(c2ncon2)CC1 ZINC000097475405 431969894 /nfs/dbraw/zinc/96/98/94/431969894.db2.gz ZFBPDBDOZUKPSC-UHFFFAOYSA-N 1 0 314.364 3.378 50 0 DGAARO CSc1ccc(CN(C(=O)C[NH+]2CCCCC2)C2CC2)cc1 ZINC000055569023 431983388 /nfs/dbraw/zinc/98/33/88/431983388.db2.gz ZSQSGLOFCCWFJM-UHFFFAOYSA-N 1 0 318.486 3.385 50 0 DGAARO CC(=O)Oc1c(C)cc(C[N@@H+](C)[C@H](C)c2ccncn2)cc1C ZINC000055402194 431981060 /nfs/dbraw/zinc/98/10/60/431981060.db2.gz IQWLLLGPDLKBRK-CQSZACIVSA-N 1 0 313.401 3.212 50 0 DGAARO C[C@H](CC1CC1)[NH+]1CCC(n2cc(-c3cccnc3)nn2)CC1 ZINC000055382714 431981452 /nfs/dbraw/zinc/98/14/52/431981452.db2.gz XEFDZTWHVZIQHZ-CQSZACIVSA-N 1 0 311.433 3.166 50 0 DGAARO Oc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055543462 431983873 /nfs/dbraw/zinc/98/38/73/431983873.db2.gz JEZMBCVGUIDZGV-UHFFFAOYSA-N 1 0 302.805 3.368 50 0 DGAARO C[C@@H](CNC(=O)CCc1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000055541457 431983609 /nfs/dbraw/zinc/98/36/09/431983609.db2.gz SPVAUUYFIYUIBA-LBPRGKRZSA-N 1 0 314.882 3.182 50 0 DGAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(Br)o1 ZINC000191515400 432273386 /nfs/dbraw/zinc/27/33/86/432273386.db2.gz LNIHLKGQTBWNRP-MWLCHTKSSA-N 1 0 314.179 3.237 50 0 DGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102929277 432000935 /nfs/dbraw/zinc/00/09/35/432000935.db2.gz QIZMTHJJERCFTM-MRXNPFEDSA-N 1 0 313.401 3.103 50 0 DGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)C2=O)cc1 ZINC000248085799 432268363 /nfs/dbraw/zinc/26/83/63/432268363.db2.gz FICKTBOMIPGRMD-SRABZTEZSA-N 1 0 314.429 3.041 50 0 DGAARO CC(=O)Nc1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000271036892 432318805 /nfs/dbraw/zinc/31/88/05/432318805.db2.gz JVPZWNUJWYJNQJ-LJQANCHMSA-N 1 0 310.397 3.219 50 0 DGAARO CSc1ccccc1C[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183856981 432329685 /nfs/dbraw/zinc/32/96/85/432329685.db2.gz RTUXAPOONNJQSV-ZDUSSCGKSA-N 1 0 316.474 3.057 50 0 DGAARO CC[NH+]1CCN(c2cccc(N[C@@H]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000249156710 432341274 /nfs/dbraw/zinc/34/12/74/432341274.db2.gz YWPDRHACRMVEHU-ALXJQNPVSA-N 1 0 317.477 3.196 50 0 DGAARO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1F ZINC000249459459 432348191 /nfs/dbraw/zinc/34/81/91/432348191.db2.gz YVXJQUQXUOIVMI-UKRRQHHQSA-N 1 0 303.381 3.114 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000249693954 432354109 /nfs/dbraw/zinc/35/41/09/432354109.db2.gz OHXRVPGZJIBAHO-RTBURBONSA-N 1 0 323.440 3.324 50 0 DGAARO CCC(CC)(CCO)C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192443967 432375176 /nfs/dbraw/zinc/37/51/76/432375176.db2.gz UJXWZESBRVXJPL-MRXNPFEDSA-N 1 0 305.462 3.331 50 0 DGAARO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2C)C1 ZINC000252476865 432376773 /nfs/dbraw/zinc/37/67/73/432376773.db2.gz CTXTVPVUAQGOAY-QAPCUYQASA-N 1 0 315.413 3.368 50 0 DGAARO O=C(CC[N@@H+]1CCC[C@H]1c1nccs1)NC1CCCCC1 ZINC000252499194 432379480 /nfs/dbraw/zinc/37/94/80/432379480.db2.gz RWXPPHVRKZPWIV-AWEZNQCLSA-N 1 0 307.463 3.119 50 0 DGAARO CCCOc1ccc(CN[C@@H](C)c2cc(C)n(C)n2)cc1OC ZINC000252489897 432379777 /nfs/dbraw/zinc/37/97/77/432379777.db2.gz KEOJXUNNBMIHGV-AWEZNQCLSA-N 1 0 317.433 3.377 50 0 DGAARO C[N@H+](Cc1cc(-c2ccncc2)no1)C1Cc2ccccc2C1 ZINC000252500013 432381039 /nfs/dbraw/zinc/38/10/39/432381039.db2.gz SLXIWVOUIHBOHV-UHFFFAOYSA-N 1 0 305.381 3.336 50 0 DGAARO CSCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000252500117 432381482 /nfs/dbraw/zinc/38/14/82/432381482.db2.gz SNFSUPSWZIHMKX-MRXNPFEDSA-N 1 0 306.475 3.083 50 0 DGAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(CC(C)C)s1 ZINC000252512413 432381736 /nfs/dbraw/zinc/38/17/36/432381736.db2.gz QGSLXSGUZBEJMH-GJZGRUSLSA-N 1 0 307.507 3.400 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1ccoc1C1CC1)Cc1ccccc1 ZINC000252509327 432381783 /nfs/dbraw/zinc/38/17/83/432381783.db2.gz YLBYUJUNPRCISF-MRXNPFEDSA-N 1 0 312.413 3.060 50 0 DGAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252511216 432381938 /nfs/dbraw/zinc/38/19/38/432381938.db2.gz FAYLTKUUACFVBH-SJBXNIEPSA-N 1 0 311.466 3.426 50 0 DGAARO CCc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000252527647 432382448 /nfs/dbraw/zinc/38/24/48/432382448.db2.gz DBTPRUXFMKVLHV-CYBMUJFWSA-N 1 0 310.397 3.431 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1 ZINC000252553205 432382818 /nfs/dbraw/zinc/38/28/18/432382818.db2.gz VHQHEQNRFPSJPC-IPELMVKDSA-N 1 0 323.440 3.049 50 0 DGAARO CCC[N@H+](Cc1nnc(C2CCC2)o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252516666 432383070 /nfs/dbraw/zinc/38/30/70/432383070.db2.gz VWCJBZVLOYRUOF-NUEKZKHPSA-N 1 0 319.449 3.363 50 0 DGAARO CCc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000252527648 432383304 /nfs/dbraw/zinc/38/33/04/432383304.db2.gz DBTPRUXFMKVLHV-ZDUSSCGKSA-N 1 0 310.397 3.431 50 0 DGAARO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(F)cc2)cn1 ZINC000253420698 432395641 /nfs/dbraw/zinc/39/56/41/432395641.db2.gz ZTJZQQJRJCLOEO-UHFFFAOYSA-N 1 0 315.392 3.383 50 0 DGAARO Cc1nnc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000253418322 432396461 /nfs/dbraw/zinc/39/64/61/432396461.db2.gz ASIXUXZFNNQJNS-CQSZACIVSA-N 1 0 322.522 3.323 50 0 DGAARO Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000253430850 432397340 /nfs/dbraw/zinc/39/73/40/432397340.db2.gz OMPJSZCQBXZRHG-UHFFFAOYSA-N 1 0 313.376 3.384 50 0 DGAARO C[NH+](C)CCn1c2ccccc2n2cc(-c3ccc(O)cc3)nc21 ZINC000253470519 432397661 /nfs/dbraw/zinc/39/76/61/432397661.db2.gz AWTGGARNEWXDFG-UHFFFAOYSA-N 1 0 320.396 3.223 50 0 DGAARO Cc1ccc(OCC[N@@H+](C)Cc2[nH]cc(C)c(=O)c2C)cc1 ZINC000253536055 432398841 /nfs/dbraw/zinc/39/88/41/432398841.db2.gz FWQRBBYVAVETOV-UHFFFAOYSA-N 1 0 300.402 3.223 50 0 DGAARO O=C(NC1CCCCC1)N1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000257184328 432416682 /nfs/dbraw/zinc/41/66/82/432416682.db2.gz IKYNFYXUZOLSKA-QGZVFWFLSA-N 1 0 307.482 3.369 50 0 DGAARO O=C1NCCCCC[N@@H+](Cc2cccc(F)c2)[C@H]2CCC[C@@H]12 ZINC000257182424 432416950 /nfs/dbraw/zinc/41/69/50/432416950.db2.gz PFZNTSFFHRTQHL-SJORKVTESA-N 1 0 304.409 3.097 50 0 DGAARO CCC[C@]1(COC)CCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000194933374 432586996 /nfs/dbraw/zinc/58/69/96/432586996.db2.gz BRMLHXZGNLWLEX-MRXNPFEDSA-N 1 0 305.378 3.111 50 0 DGAARO CC(C)(C)[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000195530203 432625814 /nfs/dbraw/zinc/62/58/14/432625814.db2.gz VOHWKXDHOGYRFR-HZPDHXFCSA-N 1 0 318.436 3.419 50 0 DGAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1ccccc1-c1ccc(C)o1 ZINC000216015443 432648279 /nfs/dbraw/zinc/64/82/79/432648279.db2.gz DMMWHJBUWIEOJV-ZDUSSCGKSA-N 1 0 300.402 3.211 50 0 DGAARO CC(C)C/C=C(\C[N@H+]1C[C@H](CO)C[C@H](CO)C1)c1ccccc1 ZINC000215306351 432642147 /nfs/dbraw/zinc/64/21/47/432642147.db2.gz HHXKHJVWBFJMKO-IKDQPVIKSA-N 1 0 317.473 3.039 50 0 DGAARO Cc1c(O)cccc1C(=O)NCCCC[NH+]1CCCCCC1 ZINC000215227407 432643131 /nfs/dbraw/zinc/64/31/31/432643131.db2.gz GWRBCNKWKWNIIX-UHFFFAOYSA-N 1 0 304.434 3.087 50 0 DGAARO CC(C)c1cc([C@@H]2CCC[N@@H+]2CC(C)(C)N2CCOCC2)no1 ZINC000215479301 432643920 /nfs/dbraw/zinc/64/39/20/432643920.db2.gz RQHOBEZARLOFMY-INIZCTEOSA-N 1 0 321.465 3.046 50 0 DGAARO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000215706892 432644978 /nfs/dbraw/zinc/64/49/78/432644978.db2.gz NUFKQMUVOPPUGY-NSHDSACASA-N 1 0 314.351 3.272 50 0 DGAARO CCCn1ccnc1C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC000216082262 432646944 /nfs/dbraw/zinc/64/69/44/432646944.db2.gz QYPLGIHCMIAJKA-UHFFFAOYSA-N 1 0 310.445 3.252 50 0 DGAARO Cc1cc(Cl)cc(Cl)c1CNC(=O)CC1CC[NH2+]CC1 ZINC000216151177 432647474 /nfs/dbraw/zinc/64/74/74/432647474.db2.gz RTULUVTYNMBOOI-UHFFFAOYSA-N 1 0 315.244 3.308 50 0 DGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+](C)[C@@H](C)c1ccncn1 ZINC000216421658 432648877 /nfs/dbraw/zinc/64/88/77/432648877.db2.gz NAECKRZZIHUVAE-HNNXBMFYSA-N 1 0 307.401 3.164 50 0 DGAARO C[C@H](C[N@@H+]1CCCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000216268160 432650233 /nfs/dbraw/zinc/65/02/33/432650233.db2.gz RRJLGAGJLDHJEL-GOSISDBHSA-N 1 0 309.457 3.393 50 0 DGAARO Cc1nc([C@@H](C)N(C)C(=O)CCC[NH+]2CCCC2)c(C)s1 ZINC000219792686 432663965 /nfs/dbraw/zinc/66/39/65/432663965.db2.gz GPTDHEHGXXJXFB-GFCCVEGCSA-N 1 0 309.479 3.155 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccs1 ZINC000222114089 432670013 /nfs/dbraw/zinc/67/00/13/432670013.db2.gz VEZQMPVFBXSPJK-BHYGNILZSA-N 1 0 316.470 3.034 50 0 DGAARO C[C@@H](CN(C)c1ccccc1)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000221327444 432668218 /nfs/dbraw/zinc/66/82/18/432668218.db2.gz PKOSIAQRQBUHRN-NYHFZMIOSA-N 1 0 316.470 3.039 50 0 DGAARO Cc1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)s1 ZINC000225512485 432693466 /nfs/dbraw/zinc/69/34/66/432693466.db2.gz YOWWCSQATUWMPA-UHFFFAOYSA-N 1 0 317.458 3.089 50 0 DGAARO c1ccc(CN2CC[NH+](CCSC3CCCCC3)CC2)nc1 ZINC000225719459 432696137 /nfs/dbraw/zinc/69/61/37/432696137.db2.gz ZRYFNEWAAWTTMX-UHFFFAOYSA-N 1 0 319.518 3.265 50 0 DGAARO CC[C@@H]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000230196138 432726429 /nfs/dbraw/zinc/72/64/29/432726429.db2.gz KNGDBJLHWXNKMM-JFIYKMOQSA-N 1 0 309.498 3.329 50 0 DGAARO CC(C)c1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)[nH]n1 ZINC000229499964 432720930 /nfs/dbraw/zinc/72/09/30/432720930.db2.gz SFRVXEULJQVQCN-KKUMJFAQSA-N 1 0 318.465 3.011 50 0 DGAARO COc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1F ZINC000229719819 432721818 /nfs/dbraw/zinc/72/18/18/432721818.db2.gz IJEUTHAGWVIKGR-AEFFLSMTSA-N 1 0 315.388 3.357 50 0 DGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C\c2cccs2)C1 ZINC000222133983 432670159 /nfs/dbraw/zinc/67/01/59/432670159.db2.gz BPJRSIRSQXWTMM-CKXPSTMWSA-N 1 0 306.475 3.388 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)nc2)C12CCCCC2 ZINC000225411470 432689450 /nfs/dbraw/zinc/68/94/50/432689450.db2.gz OCDKZIJKMNPSOR-JKSUJKDBSA-N 1 0 304.434 3.308 50 0 DGAARO CC(=O)NC1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000225420660 432691886 /nfs/dbraw/zinc/69/18/86/432691886.db2.gz RTJXJVPOBFPLOS-LWSMDNFKSA-N 1 0 300.446 3.360 50 0 DGAARO CC(=O)N1CCC([NH2+][C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000188942024 432753475 /nfs/dbraw/zinc/75/34/75/432753475.db2.gz YLTIGCRWYLDKQK-ZDUSSCGKSA-N 1 0 300.402 3.403 50 0 DGAARO Cc1nccnc1[C@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000275861129 432754837 /nfs/dbraw/zinc/75/48/37/432754837.db2.gz MQNTWJBJDNUTEC-NFOMZHRRSA-N 1 0 319.449 3.336 50 0 DGAARO C[C@@H](CC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1C(F)(F)F ZINC000178582176 432755656 /nfs/dbraw/zinc/75/56/56/432755656.db2.gz SCVCGCQMQZXPKN-RYUDHWBXSA-N 1 0 314.351 3.006 50 0 DGAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CC2CC[NH2+]CC2)C1 ZINC000237543633 292667781 /nfs/dbraw/zinc/66/77/81/292667781.db2.gz JOVDTPHCFQBRPB-DOTOQJQBSA-N 1 0 300.446 3.089 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@H]1C ZINC000242106199 432817411 /nfs/dbraw/zinc/81/74/11/432817411.db2.gz WHUVVLSTUBWZTE-JKIFEVAISA-N 1 0 309.475 3.146 50 0 DGAARO CN(CCc1ccccn1)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000244708178 432821894 /nfs/dbraw/zinc/82/18/94/432821894.db2.gz KOYRDGYOZUCKAU-HXUWFJFHSA-N 1 0 309.457 3.221 50 0 DGAARO Cc1cc(C)c(NC(=O)CC[N@@H+](C)C2CCOCC2)c(Cl)c1 ZINC000244707811 432822000 /nfs/dbraw/zinc/82/20/00/432822000.db2.gz KHXRASLNXKGHPE-UHFFFAOYSA-N 1 0 324.852 3.396 50 0 DGAARO Cc1ccc([C@H](C)NC(=O)CC[NH+]2CCCCCCC2)cn1 ZINC000244774011 432823752 /nfs/dbraw/zinc/82/37/52/432823752.db2.gz PMNHXFFUYYZXFH-INIZCTEOSA-N 1 0 303.450 3.223 50 0 DGAARO O=C(Cc1c(Cl)cccc1Cl)NC[C@H]1CCCCC[NH2+]1 ZINC000244875092 432823811 /nfs/dbraw/zinc/82/38/11/432823811.db2.gz XMLJJJDBXSDOAI-LLVKDONJSA-N 1 0 315.244 3.184 50 0 DGAARO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000245383892 432825620 /nfs/dbraw/zinc/82/56/20/432825620.db2.gz SFPFDTJFKBPYIZ-KFWWJZLASA-N 1 0 306.475 3.390 50 0 DGAARO c1csc(N2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000240902786 432815338 /nfs/dbraw/zinc/81/53/38/432815338.db2.gz IVKFCBDXGJMEAJ-UHFFFAOYSA-N 1 0 312.442 3.383 50 0 DGAARO C[C@@H](CCN1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000278825630 432906081 /nfs/dbraw/zinc/90/60/81/432906081.db2.gz 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C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)C(C)(C)C(F)F ZINC000657925479 436341019 /nfs/dbraw/zinc/34/10/19/436341019.db2.gz DTZKRJTWKWUMBK-SECBINFHSA-N 1 0 312.339 3.380 50 0 DGAARO Cc1ccccc1NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000056519859 302105462 /nfs/dbraw/zinc/10/54/62/302105462.db2.gz PQLRPXQFTIYGNH-LZWOXQAQSA-N 1 0 303.450 3.483 50 0 DGAARO CCCN(C(=O)c1ccc(-c2ccccc2F)o1)[C@@H]1CC[NH2+]C1 ZINC000178889678 312793422 /nfs/dbraw/zinc/79/34/22/312793422.db2.gz UMQXPYVURLEMAG-CYBMUJFWSA-N 1 0 316.376 3.300 50 0 DGAARO c1[nH]nc2c1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)CC2 ZINC000097233936 323210607 /nfs/dbraw/zinc/21/06/07/323210607.db2.gz YSTJZFSTTLXXGI-LPHOPBHVSA-N 1 0 304.397 3.041 50 0 DGAARO CCCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124595822 323212027 /nfs/dbraw/zinc/21/20/27/323212027.db2.gz JODYJXZAQBOBLH-NWDGAFQWSA-N 1 0 304.360 3.207 50 0 DGAARO CC(C)[NH2+]C1CCN(c2cncc(OCC3CCCC3)n2)CC1 ZINC000185339634 323388260 /nfs/dbraw/zinc/38/82/60/323388260.db2.gz 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Cc1nncn1CC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000670469816 547759212 /nfs/dbraw/zinc/75/92/12/547759212.db2.gz CPLQOXROXQZXTR-HNNXBMFYSA-N 1 0 304.825 3.120 50 0 DGAARO CC(C)[NH2+]Cc1cc(-c2ccc(Br)c(F)c2)n[nH]1 ZINC000725264684 549811849 /nfs/dbraw/zinc/81/18/49/549811849.db2.gz HXNVQTIBVTVLOX-UHFFFAOYSA-N 1 0 312.186 3.476 50 0 DGAARO CCSCCC(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000299759812 563805001 /nfs/dbraw/zinc/80/50/01/563805001.db2.gz NMUZBIMVHVVFPL-INIZCTEOSA-N 1 0 324.465 3.222 50 0 DGAARO CC(C)C[C@H](c1nc(CCC(F)(F)F)no1)n1ccnc1 ZINC000874435471 620715249 /nfs/dbraw/zinc/71/52/49/620715249.db2.gz UVITUSCVAJRJJX-SNVBAGLBSA-N 1 0 302.300 3.397 50 0 DGAARO CC(C)(O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000119152481 618075850 /nfs/dbraw/zinc/07/58/50/618075850.db2.gz VKRGSTRLRMAYEM-AWEZNQCLSA-N 1 0 317.351 3.320 50 0 DGAARO C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CCCOC1 ZINC000119731609 618643667 /nfs/dbraw/zinc/64/36/67/618643667.db2.gz POOPWLPDWYTEID-LBPRGKRZSA-N 1 0 321.371 3.213 50 0 DGAARO CCCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000863984325 621724623 /nfs/dbraw/zinc/72/46/23/621724623.db2.gz SNSQUSNURUFXFS-ALOPSCKCSA-N 1 0 318.486 3.343 50 0 DGAARO CC(C)[C@H]([NH2+]C1CC(Sc2ccccc2)C1)c1nncn1C ZINC000864087479 621735748 /nfs/dbraw/zinc/73/57/48/621735748.db2.gz PZCWIPYAZSTVOV-BCLQGDPASA-N 1 0 316.474 3.425 50 0 DGAARO OCC[C@H](C[NH2+][C@H]1CCc2ccc(Cl)nc21)c1ccccc1 ZINC000787761172 625045949 /nfs/dbraw/zinc/04/59/49/625045949.db2.gz GLVYGKDDWDNGBK-CVEARBPZSA-N 1 0 316.832 3.478 50 0 DGAARO O=C(CC[N@@H+]1CC[C@H](c2ccccn2)C1)Nc1cccc(F)c1 ZINC000799190636 626278900 /nfs/dbraw/zinc/27/89/00/626278900.db2.gz CYNKNYMCTKMIOH-AWEZNQCLSA-N 1 0 313.376 3.039 50 0 DGAARO Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)n1 ZINC000127271281 627566637 /nfs/dbraw/zinc/56/66/37/627566637.db2.gz VYTWEJPNEDFJAJ-HNNXBMFYSA-N 1 0 309.413 3.368 50 0 DGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000011937964 660487902 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C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000032529740 659713151 /nfs/dbraw/zinc/71/31/51/659713151.db2.gz RHZUSEZBRZQAGM-ZBFHGGJFSA-N 1 0 308.441 3.324 50 0 DGAARO CC[C@@H]([NH2+]CCn1c(=O)oc2cccnc21)c1ccc(C)cc1 ZINC000181683643 660015042 /nfs/dbraw/zinc/01/50/42/660015042.db2.gz QLTNCZDVDXYSCP-OAHLLOKOSA-N 1 0 311.385 3.039 50 0 DGAARO c1ccc2c(c1)[nH+]ccc2N1CC[C@H](OCc2ccncc2)C1 ZINC000192907113 662115551 /nfs/dbraw/zinc/11/55/51/662115551.db2.gz FDEIORHGMMCOST-INIZCTEOSA-N 1 0 305.381 3.425 50 0 DGAARO Cc1ncncc1C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952969165 662208881 /nfs/dbraw/zinc/20/88/81/662208881.db2.gz MKJCQNFQKUKRGW-UHFFFAOYSA-N 1 0 310.401 3.023 50 0 DGAARO COc1ccc(CN(C)CC[N@@H+]2CCCC[C@@H]2C)c(OC)c1C ZINC000952972790 662209357 /nfs/dbraw/zinc/20/93/57/662209357.db2.gz WTUKLMGJEKSFPT-HNNXBMFYSA-N 1 0 320.477 3.318 50 0 DGAARO CN1CCCC[C@H]1C[N@H+](C)C1CCN(c2cccc(F)c2)CC1 ZINC000952976991 662209989 /nfs/dbraw/zinc/20/99/89/662209989.db2.gz IKZPLAFPANHZPL-IBGZPJMESA-N 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c1ccc(-c2nnc3n2CC[N@@H+](C[C@H]2CC=CCC2)CC3)cc1 ZINC000200599476 1081979502 /nfs/dbraw/zinc/97/95/02/1081979502.db2.gz GRCYSKQYKXNTTM-INIZCTEOSA-N 1 0 308.429 3.160 50 0 DGAARO CC(C)[N@H+]1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[nH]c(=O)c1C2 ZINC000675009571 1083437560 /nfs/dbraw/zinc/43/75/60/1083437560.db2.gz AFUKVWLOUJAUCS-CABCVRRESA-N 1 0 309.413 3.189 50 0 DGAARO CC(C)CN1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CC2)CC1 ZINC000675012968 1083446381 /nfs/dbraw/zinc/44/63/81/1083446381.db2.gz VVVBDXRBBKEFKV-IBGZPJMESA-N 1 0 316.493 3.087 50 0 DGAARO CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1F)[N@H+](C)CC ZINC000822555833 1091665009 /nfs/dbraw/zinc/66/50/09/1091665009.db2.gz YVWJJQUXYKCKEH-LBPRGKRZSA-N 1 0 320.330 3.191 50 0 DGAARO CC(C)(C)c1cc(-c2ccccc2F)nc(N2CC[C@H]([NH3+])C2)n1 ZINC000826956407 1091761036 /nfs/dbraw/zinc/76/10/36/1091761036.db2.gz BSTLWTFANPLKNC-LBPRGKRZSA-N 1 0 314.408 3.118 50 0 DGAARO O=C(Cc1ccccc1F)N1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000581788024 1092270403 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O=c1ccc(C2CC2)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000585503518 1096491018 /nfs/dbraw/zinc/49/10/18/1096491018.db2.gz CESHJEZMDKJEBN-UHFFFAOYSA-N 1 0 323.440 3.033 50 0 DGAARO CC1(C)C[C@H](C[NH2+]CCOc2cccc3cccnc32)CCO1 ZINC000952868764 1096781911 /nfs/dbraw/zinc/78/19/11/1096781911.db2.gz AGDLSMFZUOHPFH-OAHLLOKOSA-N 1 0 314.429 3.408 50 0 DGAARO COc1cc(Cl)cc(C[NH2+]CCc2c(C)n[nH]c2C)c1OC ZINC000952871921 1096783242 /nfs/dbraw/zinc/78/32/42/1096783242.db2.gz GXJFUILMPLQDAL-UHFFFAOYSA-N 1 0 323.824 3.029 50 0 DGAARO c1csc(CN2CCN(Cc3ccc4cccnc4n3)CC2)c1 ZINC000952884404 1096787367 /nfs/dbraw/zinc/78/73/67/1096787367.db2.gz BVHMRRDHZUNCPB-UHFFFAOYSA-N 1 0 324.453 3.009 50 0 DGAARO C/C=C/C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC000952960023 1096788335 /nfs/dbraw/zinc/78/83/35/1096788335.db2.gz JEGIMZQVRDRSMH-XYBNCVKDSA-N 1 0 311.429 3.186 50 0 DGAARO CC(C)(C)OC(=O)NCC[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000952886873 1096790423 /nfs/dbraw/zinc/79/04/23/1096790423.db2.gz XHVDMEJKFXHXCE-UHFFFAOYSA-N 1 0 304.381 3.069 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccn(C(C)C)c2c1 ZINC000095476252 185373310 /nfs/dbraw/zinc/37/33/10/185373310.db2.gz ORHVKQRHKCNMIH-QGZVFWFLSA-N 1 0 313.445 3.436 50 0 DGAARO Cc1ccc2nc(C)c(C)c(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC000095524741 185377668 /nfs/dbraw/zinc/37/76/68/185377668.db2.gz PNIBZMLTDGCXLD-CVEARBPZSA-N 1 0 323.440 3.127 50 0 DGAARO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCCCC3)C1 ZINC000129186486 432002757 /nfs/dbraw/zinc/00/27/57/432002757.db2.gz SSEJVMFFPXUXBF-RYUDHWBXSA-N 1 0 316.371 3.215 50 0 DGAARO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000414675776 230801407 /nfs/dbraw/zinc/80/14/07/230801407.db2.gz RKZGSLCVVCGTRW-QMMMGPOBSA-N 1 0 321.730 3.171 50 0 DGAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1cccc2cccnc21 ZINC000062001494 432003260 /nfs/dbraw/zinc/00/32/60/432003260.db2.gz OKWNDTMHYVBTOU-ICSRJNTNSA-N 1 0 315.376 3.159 50 0 biogenic DGAARO C[C@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000078952287 185134336 /nfs/dbraw/zinc/13/43/36/185134336.db2.gz PLHDCGLDOZTBEA-NXHRZFHOSA-N 1 0 315.461 3.058 50 0 DGAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948884 185270877 /nfs/dbraw/zinc/27/08/77/185270877.db2.gz RMFOJBAZBPVBBZ-XJKSGUPXSA-N 1 0 312.816 3.216 50 0 DGAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948881 185270894 /nfs/dbraw/zinc/27/08/94/185270894.db2.gz RMFOJBAZBPVBBZ-CJNGLKHVSA-N 1 0 312.816 3.216 50 0 DGAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000089949025 185271048 /nfs/dbraw/zinc/27/10/48/185271048.db2.gz MMJMPRCCRMWXRT-WBMJQRKESA-N 1 0 322.399 3.092 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](CC)C1 ZINC000089949062 185271060 /nfs/dbraw/zinc/27/10/60/185271060.db2.gz HACAQIDAPGULLZ-YOEHRIQHSA-N 1 0 313.445 3.295 50 0 DGAARO CCCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OCC)C2)cc1 ZINC000089960307 185271972 /nfs/dbraw/zinc/27/19/72/185271972.db2.gz JAPJEMAVSQDHPV-INIZCTEOSA-N 1 0 320.433 3.186 50 0 DGAARO COc1ccc(C[C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000090542657 185302180 /nfs/dbraw/zinc/30/21/80/185302180.db2.gz NIFDFUUUBICVFU-QILLFSRXSA-N 1 0 321.486 3.271 50 0 DGAARO COc1cc(C)c(-c2cn(CC[C@H]3CCC[N@@H+]3C)nn2)cc1C ZINC000082133484 192359811 /nfs/dbraw/zinc/35/98/11/192359811.db2.gz HTSLRXCOIPJJTI-OAHLLOKOSA-N 1 0 314.433 3.055 50 0 DGAARO FC(F)COc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810734 185343077 /nfs/dbraw/zinc/34/30/77/185343077.db2.gz BLTMMBKGWGICGT-UHFFFAOYSA-N 1 0 321.371 3.433 50 0 DGAARO O=C(CCC[NH+]1CCCCC1)NCCCc1ccccc1F ZINC000095390171 185351646 /nfs/dbraw/zinc/35/16/46/185351646.db2.gz RERFPFDNBICKFX-UHFFFAOYSA-N 1 0 306.425 3.141 50 0 DGAARO CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095392105 185351889 /nfs/dbraw/zinc/35/18/89/185351889.db2.gz UWIPKCGTYCMZRD-SFHVURJKSA-N 1 0 312.457 3.267 50 0 DGAARO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC000129588295 432007034 /nfs/dbraw/zinc/00/70/34/432007034.db2.gz XMEVCHDLUVYGTH-XQQFMLRXSA-N 1 0 301.356 3.217 50 0 DGAARO CO[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000095412282 185357713 /nfs/dbraw/zinc/35/77/13/185357713.db2.gz SLCPSCONXUPUPB-DLBZAZTESA-N 1 0 303.450 3.119 50 0 DGAARO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc2ccccc2n1 ZINC000095421471 185360452 /nfs/dbraw/zinc/36/04/52/185360452.db2.gz UTPGPPFYUSOLHG-CYBMUJFWSA-N 1 0 315.417 3.410 50 0 DGAARO CC(=O)Nc1ccc(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)cc1 ZINC000063869547 432007111 /nfs/dbraw/zinc/00/71/11/432007111.db2.gz JKXGHWRFCOILCJ-HNNXBMFYSA-N 1 0 311.429 3.411 50 0 DGAARO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000095423909 185361272 /nfs/dbraw/zinc/36/12/72/185361272.db2.gz NRKKRGGMOJABBG-SJKOYZFVSA-N 1 0 322.399 3.407 50 0 DGAARO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCCSC(C)(C)C)CC[C@@H]21 ZINC000095436250 185364899 /nfs/dbraw/zinc/36/48/99/185364899.db2.gz XMENLKXELBYEBF-CABCVRRESA-N 1 0 312.523 3.241 50 0 DGAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000095421055 185360551 /nfs/dbraw/zinc/36/05/51/185360551.db2.gz FUMMCBXHIJWKCL-LSDHHAIUSA-N 1 0 302.418 3.358 50 0 DGAARO Cc1cc(C)nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000097008941 185396640 /nfs/dbraw/zinc/39/66/40/185396640.db2.gz HDFCFLDQCQBVMP-OAHLLOKOSA-N 1 0 300.406 3.326 50 0 DGAARO COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000095446908 185367958 /nfs/dbraw/zinc/36/79/58/185367958.db2.gz XSOXYMCLBXLXSF-YGRLFVJLSA-N 1 0 309.793 3.227 50 0 DGAARO Cc1cccn2c(C[NH2+][C@@H](C)C[C@@H](O)c3cccs3)cnc12 ZINC000095448917 185368390 /nfs/dbraw/zinc/36/83/90/185368390.db2.gz ZNFYZMLMVXJKMT-DZGCQCFKSA-N 1 0 315.442 3.306 50 0 DGAARO Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2F)ccc2c[nH+]cn21 ZINC000095465112 185371582 /nfs/dbraw/zinc/37/15/82/185371582.db2.gz WLSBXIKOGHBPLB-JTQLQIEISA-N 1 0 315.323 3.412 50 0 DGAARO CC(C)c1ccc(C2(C(=O)N3CC[C@@H]([NH3+])C3)CCCC2)cc1 ZINC000097019626 185397960 /nfs/dbraw/zinc/39/79/60/185397960.db2.gz BXDXUORFBNTINO-QGZVFWFLSA-N 1 0 300.446 3.181 50 0 DGAARO CCc1ccc2c(Cl)c(C(=O)N3CC[C@@H]([NH3+])C3)sc2c1 ZINC000097019574 185397995 /nfs/dbraw/zinc/39/79/95/185397995.db2.gz XSMDTRLODNOCQZ-SNVBAGLBSA-N 1 0 308.834 3.290 50 0 DGAARO Clc1ccccc1C1(CNC2=[NH+]CCCN2)CCCCC1 ZINC000097032405 185399337 /nfs/dbraw/zinc/39/93/37/185399337.db2.gz BXHBZUJGFCVLJS-UHFFFAOYSA-N 1 0 305.853 3.481 50 0 DGAARO OC[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)Cc1ccccn1 ZINC000097033380 185399794 /nfs/dbraw/zinc/39/97/94/185399794.db2.gz MOTLNXHLNAOIFQ-IFXJQAMLSA-N 1 0 314.404 3.039 50 0 DGAARO O=C1[C@H]([NH2+]C2CCCCCCC2)CCCN1c1cccnc1 ZINC000097108624 185410968 /nfs/dbraw/zinc/41/09/68/185410968.db2.gz QGAHLPNAQVFHDF-QGZVFWFLSA-N 1 0 301.434 3.280 50 0 DGAARO C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CC[NH2+]CC1 ZINC000225521324 201725632 /nfs/dbraw/zinc/72/56/32/201725632.db2.gz AQKPAQXTKZKOLW-MRXNPFEDSA-N 1 0 322.452 3.400 50 0 DGAARO Cc1ccc(CNC(=O)C2=CC[N@H+](Cc3ccccc3)CC2)o1 ZINC000064817957 432010295 /nfs/dbraw/zinc/01/02/95/432010295.db2.gz GBTLIPPVCGQLKL-UHFFFAOYSA-N 1 0 310.397 3.037 50 0 DGAARO CCc1ccccc1C[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC000065427161 432011691 /nfs/dbraw/zinc/01/16/91/432011691.db2.gz IFCXZFGVYJIOOY-UHFFFAOYSA-N 1 0 316.836 3.015 50 0 DGAARO CC(C)c1[nH]nc2c1[C@H](C1CC[NH+](C(C)C)CC1)CC(=O)N2 ZINC000065410124 432012372 /nfs/dbraw/zinc/01/23/72/432012372.db2.gz QWXRPQINVPUYJA-ZDUSSCGKSA-N 1 0 304.438 3.079 50 0 DGAARO CC[C@@H]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000230196127 201870782 /nfs/dbraw/zinc/87/07/82/201870782.db2.gz KNGDBJLHWXNKMM-NUJGCVRESA-N 1 0 309.498 3.329 50 0 DGAARO CC(=O)N(Cc1ccc2c(c1)C[NH2+]CCO2)c1ccc(C)cc1 ZINC000066323480 432015117 /nfs/dbraw/zinc/01/51/17/432015117.db2.gz JDSUFKHLIVUSDO-UHFFFAOYSA-N 1 0 310.397 3.030 50 0 DGAARO CCc1oc2ccccc2c1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000130115042 432015198 /nfs/dbraw/zinc/01/51/98/432015198.db2.gz OLEVXXGJQQFYCO-UHFFFAOYSA-N 1 0 300.402 3.209 50 0 DGAARO C[C@@H](C(=O)Nc1nc(C2CC2)cs1)[C@H]([NH3+])c1ccccc1 ZINC000130342705 432022338 /nfs/dbraw/zinc/02/23/38/432022338.db2.gz DMGJNSJHVRWKJU-YGRLFVJLSA-N 1 0 301.415 3.295 50 0 DGAARO CC[C@H]1C[N@H+](Cc2ccccn2)CCC(=O)N1Cc1ccccc1 ZINC000071721394 191013064 /nfs/dbraw/zinc/01/30/64/191013064.db2.gz GXQHIUQTRVFVNF-IBGZPJMESA-N 1 0 323.440 3.095 50 0 DGAARO Cc1cc(C2CCC2)nc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000071730397 191018561 /nfs/dbraw/zinc/01/85/61/191018561.db2.gz LEYIREKQBXESAY-UHFFFAOYSA-N 1 0 300.450 3.117 50 0 DGAARO CC[C@@H](C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)[NH+]1CCCC1 ZINC000071767493 191029514 /nfs/dbraw/zinc/02/95/14/191029514.db2.gz GZMYCJLYFXJGNI-SFHVURJKSA-N 1 0 313.445 3.275 50 0 DGAARO C[NH+]1CCC(N(Cc2ccsc2)Cc2cccnc2)CC1 ZINC000072119563 191039213 /nfs/dbraw/zinc/03/92/13/191039213.db2.gz UDESPCNXUZESIT-UHFFFAOYSA-N 1 0 301.459 3.240 50 0 DGAARO COCCC[N@H+](Cc1ccc(F)c(C)c1)C1CCN(C)CC1 ZINC000072121548 191041038 /nfs/dbraw/zinc/04/10/38/191041038.db2.gz AHKGIQQBEJFWOW-UHFFFAOYSA-N 1 0 308.441 3.067 50 0 DGAARO Cc1cc(CNC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)ccc1F ZINC000072125682 191041357 /nfs/dbraw/zinc/04/13/57/191041357.db2.gz HVERADVTMMYYBQ-OAHLLOKOSA-N 1 0 312.388 3.141 50 0 DGAARO COc1ccccc1/C=C/CN1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000072124011 191042304 /nfs/dbraw/zinc/04/23/04/191042304.db2.gz CPPZMAHGBWDCRC-JCVNQNCUSA-N 1 0 300.446 3.267 50 0 DGAARO Cc1ccccc1SCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072144180 191052018 /nfs/dbraw/zinc/05/20/18/191052018.db2.gz PWRKUGHCBCFTPH-HNNXBMFYSA-N 1 0 306.475 3.030 50 0 DGAARO Cc1nc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc(=O)[nH]1 ZINC000072154131 191058786 /nfs/dbraw/zinc/05/87/86/191058786.db2.gz SZSVNGYSEWLJRQ-KRWDZBQOSA-N 1 0 311.429 3.303 50 0 DGAARO C[N@H+](Cc1cccc2nonc21)Cc1cccc2ncccc12 ZINC000072161236 191062527 /nfs/dbraw/zinc/06/25/27/191062527.db2.gz CPLJDBMKRQTGQM-UHFFFAOYSA-N 1 0 304.353 3.403 50 0 DGAARO O=C(c1ccc(F)cc1Cl)N1CC[NH+](CC2CCCC2)CC1 ZINC000072278339 191100708 /nfs/dbraw/zinc/10/07/08/191100708.db2.gz ZELNUGCFUSYXBS-UHFFFAOYSA-N 1 0 324.827 3.427 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000237496598 186297103 /nfs/dbraw/zinc/29/71/03/186297103.db2.gz KIRVNTZQTGCRDV-QFBILLFUSA-N 1 0 322.452 3.477 50 0 DGAARO Cc1sc2ncnc(N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)c2c1C ZINC000107072101 432027577 /nfs/dbraw/zinc/02/75/77/432027577.db2.gz SMXHBZICMASRAO-ZWNOBZJWSA-N 1 0 304.463 3.085 50 0 DGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072422229 191158139 /nfs/dbraw/zinc/15/81/39/191158139.db2.gz RTJWHQIUTWAVMP-LJQANCHMSA-N 1 0 316.445 3.302 50 0 DGAARO Cc1ccc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)o1 ZINC000072424813 191160258 /nfs/dbraw/zinc/16/02/58/191160258.db2.gz YZEMDWLDNZERKX-LJQANCHMSA-N 1 0 310.441 3.263 50 0 DGAARO Clc1cccnc1N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000072434870 191166233 /nfs/dbraw/zinc/16/62/33/191166233.db2.gz REEYNTYJRWKNIZ-QGZVFWFLSA-N 1 0 305.853 3.437 50 0 DGAARO c1c[nH]c(CN2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000072447916 191170456 /nfs/dbraw/zinc/17/04/56/191170456.db2.gz GOVSFJZITMXOKJ-FQEVSTJZSA-N 1 0 324.472 3.288 50 0 DGAARO O=C(CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1)N1CCCC1 ZINC000072474800 191176915 /nfs/dbraw/zinc/17/69/15/191176915.db2.gz HYRHLYMIDLLMRT-KRWDZBQOSA-N 1 0 304.409 3.365 50 0 DGAARO Cc1ccc(N2CC[N@H+](Cc3cnn(C)c3C3CC3)[C@H](C)C2)cc1 ZINC000072476049 191177271 /nfs/dbraw/zinc/17/72/71/191177271.db2.gz HEJUDSUJGZCESL-MRXNPFEDSA-N 1 0 324.472 3.317 50 0 DGAARO c1csc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000072473856 191177809 /nfs/dbraw/zinc/17/78/09/191177809.db2.gz WWKQGQMSVASUBV-SFHVURJKSA-N 1 0 312.482 3.423 50 0 DGAARO O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@H]1CCC[NH2+]1 ZINC000072501575 191183457 /nfs/dbraw/zinc/18/34/57/191183457.db2.gz QMHRRCZRLVASLY-CQSZACIVSA-N 1 0 317.776 3.218 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)COc2ccccc2F)cc1 ZINC000067249839 432028891 /nfs/dbraw/zinc/02/88/91/432028891.db2.gz PICCYGDXWRQJDV-CYBMUJFWSA-N 1 0 316.376 3.341 50 0 DGAARO O=C(CC[NH+]1CCCCC1)Nc1c2c(cc3c1CCC3)CCC2 ZINC000000347600 180763216 /nfs/dbraw/zinc/76/32/16/180763216.db2.gz XJBWCTRAAVIUIR-UHFFFAOYSA-N 1 0 312.457 3.479 50 0 DGAARO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000107367205 432031227 /nfs/dbraw/zinc/03/12/27/432031227.db2.gz CXZJCADNECNSQN-GDBMZVCRSA-N 1 0 312.523 3.289 50 0 DGAARO C[NH+](C)CCCNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000002215787 180915770 /nfs/dbraw/zinc/91/57/70/180915770.db2.gz UHTVPQWQIHWWGR-UHFFFAOYSA-N 1 0 303.797 3.128 50 0 DGAARO CC(C)[C@H]([NH2+][C@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1F ZINC000182136758 199392211 /nfs/dbraw/zinc/39/22/11/199392211.db2.gz ARZOXSNVATYEHM-YGRLFVJLSA-N 1 0 321.845 3.199 50 0 DGAARO C[C@@H](c1ccncc1)N(C)C(=O)CC[NH+]1CCCCCCC1 ZINC000067673088 432034707 /nfs/dbraw/zinc/03/47/07/432034707.db2.gz HSZXKBDFGOESHM-INIZCTEOSA-N 1 0 303.450 3.257 50 0 DGAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000067713449 432035015 /nfs/dbraw/zinc/03/50/15/432035015.db2.gz QESWZIVBWXUOHD-HNNXBMFYSA-N 1 0 311.429 3.143 50 0 DGAARO CC/C=C(\C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2C)C1 ZINC000067692779 432035197 /nfs/dbraw/zinc/03/51/97/432035197.db2.gz NBZFXECOZBDKMG-QHDPKREISA-N 1 0 316.445 3.109 50 0 DGAARO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000067691753 432035470 /nfs/dbraw/zinc/03/54/70/432035470.db2.gz XUJSGSPDFGKHIW-HNNXBMFYSA-N 1 0 309.413 3.427 50 0 DGAARO Cc1cc2c(cccc2OC[C@H](O)C[NH2+]C2CCCCC2)[nH]1 ZINC000004084718 181071454 /nfs/dbraw/zinc/07/14/54/181071454.db2.gz JLQCGZCRAKDWET-OAHLLOKOSA-N 1 0 302.418 3.138 50 0 DGAARO CC[C@@H]1C[N@@H+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](C)[C@H]1C[C@H]24 ZINC000004082232 181070610 /nfs/dbraw/zinc/07/06/10/181070610.db2.gz XGMPQFYSSHFZTA-VZWRSXOKSA-N 1 0 324.468 3.430 50 0 biogenic DGAARO Cc1ccc2[nH]c(C[NH2+][C@H](Cn3ccnc3)C(C)C)nc2c1C ZINC000067725824 432037848 /nfs/dbraw/zinc/03/78/48/432037848.db2.gz MTXBBVXKJLSTKX-MRXNPFEDSA-N 1 0 311.433 3.191 50 0 DGAARO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C)Cc3ncccc3C)cc2c1 ZINC000067742603 432037876 /nfs/dbraw/zinc/03/78/76/432037876.db2.gz CVAKTGRNKZSHOH-UHFFFAOYSA-N 1 0 321.424 3.480 50 0 DGAARO [NH3+]C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000004240308 181087120 /nfs/dbraw/zinc/08/71/20/181087120.db2.gz BSVPAEDBIDOOER-UHFFFAOYSA-N 1 0 322.408 3.359 50 0 DGAARO C[NH+](C)CCCNC(=O)C[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000004296028 181094584 /nfs/dbraw/zinc/09/45/84/181094584.db2.gz HNGJMMBFDRTFFP-MRXNPFEDSA-N 1 0 318.392 3.009 50 0 DGAARO O=C(CSc1nnc([C@@H]2CCC[NH2+]2)o1)c1ccc(Cl)cc1 ZINC000004283068 181093081 /nfs/dbraw/zinc/09/30/81/181093081.db2.gz JSSYVYCZAYIYLB-NSHDSACASA-N 1 0 323.805 3.123 50 0 DGAARO COc1cccc(-c2nccn2CC[C@H]2CCC[N@@H+]2C)c1OC ZINC000067724938 432038486 /nfs/dbraw/zinc/03/84/86/432038486.db2.gz DJSQEOIRDZLKTH-CQSZACIVSA-N 1 0 315.417 3.052 50 0 DGAARO O[C@H](C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)C(F)(F)F ZINC000004389259 181106045 /nfs/dbraw/zinc/10/60/45/181106045.db2.gz BWYVJHGQEPIAGL-OAHLLOKOSA-N 1 0 312.335 3.271 50 0 DGAARO CC(C)C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000004550098 181123783 /nfs/dbraw/zinc/12/37/83/181123783.db2.gz SJWKQFTWRBLUGS-UHFFFAOYSA-N 1 0 308.853 3.324 50 0 DGAARO C[N@H+](CCOC(=O)c1ccc(Br)cc1)C(C)(C)C ZINC000004591276 181127891 /nfs/dbraw/zinc/12/78/91/181127891.db2.gz OHKRPKKYZQGGBO-UHFFFAOYSA-N 1 0 314.223 3.336 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000182592625 199462840 /nfs/dbraw/zinc/46/28/40/199462840.db2.gz JUEGWVZONLHLFS-RDJZCZTQSA-N 1 0 316.445 3.466 50 0 DGAARO Cc1cccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000004694349 181137604 /nfs/dbraw/zinc/13/76/04/181137604.db2.gz LOTFARCZLMOALV-UHFFFAOYSA-N 1 0 318.461 3.108 50 0 DGAARO CC(C)CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000004725480 181142954 /nfs/dbraw/zinc/14/29/54/181142954.db2.gz KQTWWLASBMRJQK-UHFFFAOYSA-N 1 0 308.853 3.324 50 0 DGAARO O=C(Cc1ccc(-c2ccccc2)cc1)NCC[NH+]1CCCCC1 ZINC000004750383 181148073 /nfs/dbraw/zinc/14/80/73/181148073.db2.gz STXHIUNMMPFDIB-UHFFFAOYSA-N 1 0 322.452 3.498 50 0 DGAARO C[C@@H](C[NH+]1CCCCCC1)NCc1nc(-c2ccccc2)no1 ZINC000067821034 432042791 /nfs/dbraw/zinc/04/27/91/432042791.db2.gz QAGGINGMGUQANZ-HNNXBMFYSA-N 1 0 314.433 3.091 50 0 DGAARO COc1cc(C)c(-c2ccc(F)c3c2O[C@H](C[NH3+])C3)cc1C ZINC000067818174 432042861 /nfs/dbraw/zinc/04/28/61/432042861.db2.gz VSYDAHAATKLSDM-LBPRGKRZSA-N 1 0 301.361 3.380 50 0 DGAARO Cc1cnccc1C[N@H+](C)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000067868818 432043455 /nfs/dbraw/zinc/04/34/55/432043455.db2.gz BVQIITBLGQTTNE-UHFFFAOYSA-N 1 0 308.381 3.437 50 0 DGAARO CCc1noc(C)c1-c1[nH]c2ccccc2c1[C@H](O)C[NH+](C)C ZINC000004825366 181157152 /nfs/dbraw/zinc/15/71/52/181157152.db2.gz GMGOZCSXMVXXRS-OAHLLOKOSA-N 1 0 313.401 3.289 50 0 DGAARO COc1ccc(-c2ccc(NC(=O)C[NH3+])c(F)c2)cc1Cl ZINC000067855087 432044062 /nfs/dbraw/zinc/04/40/62/432044062.db2.gz IMTPUGMHMBCFHJ-UHFFFAOYSA-N 1 0 308.740 3.052 50 0 DGAARO CC(=O)c1cccc(OCCOCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004868540 181166365 /nfs/dbraw/zinc/16/63/65/181166365.db2.gz ROZNLFRHJAFANH-OAHLLOKOSA-N 1 0 305.418 3.017 50 0 DGAARO COc1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000004989441 181185877 /nfs/dbraw/zinc/18/58/77/181185877.db2.gz DTGVDIHCYQRLEN-UHFFFAOYSA-N 1 0 310.441 3.449 50 0 DGAARO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCC ZINC000005019241 181191619 /nfs/dbraw/zinc/19/16/19/181191619.db2.gz WKDLKNGNPFHAGP-ZDUSSCGKSA-N 1 0 313.825 3.406 50 0 DGAARO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCC ZINC000005019242 181191641 /nfs/dbraw/zinc/19/16/41/181191641.db2.gz WKDLKNGNPFHAGP-CYBMUJFWSA-N 1 0 313.825 3.406 50 0 DGAARO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCCCCC1 ZINC000005046999 181196288 /nfs/dbraw/zinc/19/62/88/181196288.db2.gz YNWMNHOJYFOXBK-QGZVFWFLSA-N 1 0 318.436 3.440 50 0 DGAARO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000005175990 181212887 /nfs/dbraw/zinc/21/28/87/181212887.db2.gz GINQYNXLFUPIHC-UHFFFAOYSA-N 1 0 308.425 3.389 50 0 DGAARO CC(C)Oc1ccc([C@@H](CC(=O)NCC[NH+](C)C)C(C)C)cc1 ZINC000005271256 181224968 /nfs/dbraw/zinc/22/49/68/181224968.db2.gz GMIKXXRLSLLYKQ-SFHVURJKSA-N 1 0 320.477 3.281 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000005345336 181232330 /nfs/dbraw/zinc/23/23/30/181232330.db2.gz JIWJUFBYJVGTGE-ZDUSSCGKSA-N 1 0 305.809 3.035 50 0 DGAARO COc1ccc(/C=C/C(=O)O[C@@H]2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000005524623 181253227 /nfs/dbraw/zinc/25/32/27/181253227.db2.gz YFCDMEJSQRDGGK-ZODAKWMJSA-N 1 0 317.429 3.372 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(F)c(Cl)c2)N1 ZINC000064864374 283270841 /nfs/dbraw/zinc/27/08/41/283270841.db2.gz ZSWWXRREZQUKTH-ZDUSSCGKSA-N 1 0 315.739 3.326 50 0 DGAARO CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000170592331 432072926 /nfs/dbraw/zinc/07/29/26/432072926.db2.gz YKNZDKHEXYCJMZ-VVLHAWIVSA-N 1 0 309.498 3.184 50 0 DGAARO C[C@H]1C[C@H](C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000170592991 432072735 /nfs/dbraw/zinc/07/27/35/432072735.db2.gz YSNNVNTUESHIOR-DOTOQJQBSA-N 1 0 322.880 3.273 50 0 DGAARO CCS(=O)(=O)CC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000089701228 192845926 /nfs/dbraw/zinc/84/59/26/192845926.db2.gz OYAJAFLLEMOFHK-ZDUSSCGKSA-N 1 0 322.257 3.005 50 0 DGAARO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc2ccccc2s1 ZINC000188154808 200201764 /nfs/dbraw/zinc/20/17/64/200201764.db2.gz AZANZNGVCDSIAA-SUMWQHHRSA-N 1 0 305.443 3.341 50 0 DGAARO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc2ccccc2s1 ZINC000188154788 200201868 /nfs/dbraw/zinc/20/18/68/200201868.db2.gz AZANZNGVCDSIAA-DYVFJYSZSA-N 1 0 305.443 3.341 50 0 DGAARO COc1ccc2c(c1)[C@@H]([NH2+]CCc1nc(C)no1)CCCS2 ZINC000188176059 200204262 /nfs/dbraw/zinc/20/42/62/200204262.db2.gz GFEDFXFIMNAYQE-AWEZNQCLSA-N 1 0 319.430 3.146 50 0 DGAARO COc1ccc2c(c1)[C@H]([NH2+]Cc1cnn(C)c1C)CCCS2 ZINC000188278891 200221455 /nfs/dbraw/zinc/22/14/55/200221455.db2.gz WVYOSVPNFQSKPT-MRXNPFEDSA-N 1 0 317.458 3.454 50 0 DGAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)C1 ZINC000237888951 202380493 /nfs/dbraw/zinc/38/04/93/202380493.db2.gz LMEQHTUHDCQGFO-RCCFBDPRSA-N 1 0 300.446 3.128 50 0 DGAARO [NH3+]CCC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000237850706 202370115 /nfs/dbraw/zinc/37/01/15/202370115.db2.gz YEDZNGRJBLCMRK-KRWDZBQOSA-N 1 0 314.816 3.315 50 0 DGAARO CC(=O)N(C)C1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000189808533 432092162 /nfs/dbraw/zinc/09/21/62/432092162.db2.gz QZVDNSJSFVELJO-CYBMUJFWSA-N 1 0 308.853 3.386 50 0 DGAARO C[C@H]([NH2+]CCCn1ccnc1)c1cc(Br)cs1 ZINC000193939256 201150433 /nfs/dbraw/zinc/15/04/33/201150433.db2.gz OZOJVXJXMACJIP-JTQLQIEISA-N 1 0 314.252 3.448 50 0 DGAARO C[C@H]([NH2+]C1CCC(Oc2cnccn2)CC1)c1cccc(O)c1 ZINC000194966876 201318526 /nfs/dbraw/zinc/31/85/26/201318526.db2.gz LXKNMMVSADQHPH-KTAKPFMOSA-N 1 0 313.401 3.223 50 0 DGAARO COCc1nc2n(n1)CCC[C@H]2NCc1ccc(C)c(Cl)c1 ZINC000195445986 201390403 /nfs/dbraw/zinc/39/04/03/201390403.db2.gz WJJCLKWFPCDWGE-CQSZACIVSA-N 1 0 320.824 3.011 50 0 DGAARO C[C@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195529226 201397829 /nfs/dbraw/zinc/39/78/29/201397829.db2.gz 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C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000261987012 203168313 /nfs/dbraw/zinc/16/83/13/203168313.db2.gz XLNLDLJBTYSZLP-UNEWFSDZSA-N 1 0 316.420 3.125 50 0 DGAARO c1csc([C@H]([NH2+]Cc2nnc3n2CCC3)C2CCCC2)c1 ZINC000093372320 193240958 /nfs/dbraw/zinc/24/09/58/193240958.db2.gz OPVNOPOIUDMABX-MRXNPFEDSA-N 1 0 302.447 3.307 50 0 DGAARO CCO[C@@H]1C[C@H](O)C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000093614009 193274590 /nfs/dbraw/zinc/27/45/90/193274590.db2.gz CIDNOUVQFWYPEE-UYLIBMQOSA-N 1 0 319.420 3.091 50 0 DGAARO CCCn1nc(C)c(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1C ZINC000093638679 193278813 /nfs/dbraw/zinc/27/88/13/193278813.db2.gz LTWQWLLWMVYUCR-KBXCAEBGSA-N 1 0 306.498 3.072 50 0 DGAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Oc3ccncc3)C2)o1 ZINC000093865771 193320639 /nfs/dbraw/zinc/32/06/39/193320639.db2.gz WLQBNIWMLYDDQV-INIZCTEOSA-N 1 0 324.384 3.026 50 0 DGAARO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1cccs1 ZINC000095968221 193465542 /nfs/dbraw/zinc/46/55/42/193465542.db2.gz RRHBUBIPJQHDSD-STQMWFEESA-N 1 0 313.430 3.178 50 0 DGAARO CC1CC[NH+](Cc2ccc(-c3nc([C@H]4CCOC4)no3)o2)CC1 ZINC000096153075 193553612 /nfs/dbraw/zinc/55/36/12/193553612.db2.gz KEVGCYUGVDQPAX-ZDUSSCGKSA-N 1 0 317.389 3.065 50 0 DGAARO CCOC(=O)CCCCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000096417424 193628646 /nfs/dbraw/zinc/62/86/46/193628646.db2.gz QXBFVEOQXRIZMY-KRWDZBQOSA-N 1 0 310.482 3.060 50 0 DGAARO COc1ccccc1OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000008844735 181587956 /nfs/dbraw/zinc/58/79/56/181587956.db2.gz NTZKEWPSLXNEAQ-OAHLLOKOSA-N 1 0 321.461 3.478 50 0 DGAARO O=C(Cc1c(Cl)cccc1Cl)NCC[NH+]1CCCCC1 ZINC000013326159 181843623 /nfs/dbraw/zinc/84/36/23/181843623.db2.gz QZESARIRUJOQPU-UHFFFAOYSA-N 1 0 315.244 3.138 50 0 DGAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000016648548 182055630 /nfs/dbraw/zinc/05/56/30/182055630.db2.gz HZLCDOZJVNEZFG-UHFFFAOYSA-N 1 0 314.433 3.154 50 0 DGAARO CC(C)[C@@H]1C[C@](CC[NH+]2CCOCC2)(c2ccccc2)CCO1 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CSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000020149210 182192335 /nfs/dbraw/zinc/19/23/35/182192335.db2.gz BSWIDNVWJYNABX-QWHCGFSZSA-N 1 0 317.882 3.119 50 0 DGAARO O=c1cc(C[NH+]2CCC(c3ccccc3)CC2)nc(C2CC2)[nH]1 ZINC000020445032 182218243 /nfs/dbraw/zinc/21/82/43/182218243.db2.gz PDRIUAAFCAEXLS-UHFFFAOYSA-N 1 0 309.413 3.027 50 0 DGAARO C[C@]1(CO)CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000020536290 182227614 /nfs/dbraw/zinc/22/76/14/182227614.db2.gz LMUGKPQKXNIZEE-HNNXBMFYSA-N 1 0 301.352 3.342 50 0 DGAARO CCCCOc1ccc(OCCCC[NH+]2CCN(C)CC2)cc1 ZINC000020639621 182241382 /nfs/dbraw/zinc/24/13/82/182241382.db2.gz ZEJFHEKJIOHIPG-UHFFFAOYSA-N 1 0 320.477 3.272 50 0 DGAARO CCCCOc1ccccc1OCCCC[NH+]1CCN(C)CC1 ZINC000020652633 182241489 /nfs/dbraw/zinc/24/14/89/182241489.db2.gz WVPVLMIGOVKJEV-UHFFFAOYSA-N 1 0 320.477 3.272 50 0 DGAARO Fc1ccc(C[C@@H]2C[N@@H+](C3Cc4ccccc4C3)CCO2)cc1 ZINC000020598369 182236225 /nfs/dbraw/zinc/23/62/25/182236225.db2.gz FTQBXWKQEBLEJZ-HXUWFJFHSA-N 1 0 311.400 3.236 50 0 DGAARO COc1ccccc1-c1noc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000020908600 182253414 /nfs/dbraw/zinc/25/34/14/182253414.db2.gz KBIQXLYGEZYYQY-ZDUSSCGKSA-N 1 0 301.390 3.333 50 0 DGAARO CC(C)CC[N@@H+]1CCN(CCCc2ccccc2)C[C@@H]1CCO ZINC000020905838 182253781 /nfs/dbraw/zinc/25/37/81/182253781.db2.gz SMXRFBSCDJHLAW-FQEVSTJZSA-N 1 0 318.505 3.034 50 0 DGAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@H]1CCO ZINC000020908935 182253890 /nfs/dbraw/zinc/25/38/90/182253890.db2.gz BTXKGYDITJQTDY-AWEZNQCLSA-N 1 0 306.431 3.448 50 0 DGAARO O=C(C1C[NH+](C(c2ccccc2)c2ccccc2)C1)N1CCCC1 ZINC000020734032 182244944 /nfs/dbraw/zinc/24/49/44/182244944.db2.gz FEVVIWXZEIQLTQ-UHFFFAOYSA-N 1 0 320.436 3.330 50 0 DGAARO C[NH+]1CCC(CCC(=O)NCCc2ccccc2Cl)CC1 ZINC000097756418 193753517 /nfs/dbraw/zinc/75/35/17/193753517.db2.gz GLKVRAMHTLNLKG-UHFFFAOYSA-N 1 0 308.853 3.121 50 0 DGAARO COc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000021148673 182266487 /nfs/dbraw/zinc/26/64/87/182266487.db2.gz WWPTUHUGUDPASE-QGZVFWFLSA-N 1 0 316.445 3.176 50 0 DGAARO O[C@@H](C[C@@H]1CCC[N@@H+]1CCc1ccncc1)c1cccs1 ZINC000267436417 206066776 /nfs/dbraw/zinc/06/67/76/206066776.db2.gz GDUCWAUBHLUFTJ-HOTGVXAUSA-N 1 0 302.443 3.274 50 0 DGAARO c1[nH]c(-c2ccccc2)nc1CN1CC[NH+](C2CCCC2)CC1 ZINC000022891530 182339171 /nfs/dbraw/zinc/33/91/71/182339171.db2.gz LSKKWSDEOMSNNR-UHFFFAOYSA-N 1 0 310.445 3.137 50 0 DGAARO [NH3+]CCN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000022917492 182341510 /nfs/dbraw/zinc/34/15/10/182341510.db2.gz JFLGIHIFFXKPHW-HNNXBMFYSA-N 1 0 305.219 3.087 50 0 DGAARO Cc1cccc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000023374667 182358270 /nfs/dbraw/zinc/35/82/70/182358270.db2.gz IUDICURRQBTOTJ-HXUWFJFHSA-N 1 0 309.457 3.486 50 0 DGAARO Cc1cc(C)cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c1 ZINC000023372952 182358767 /nfs/dbraw/zinc/35/87/67/182358767.db2.gz JVHAQGYVEAIXAE-FQEVSTJZSA-N 1 0 316.489 3.115 50 0 DGAARO O=C(Nc1cccnc1Cl)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023580614 182363960 /nfs/dbraw/zinc/36/39/60/182363960.db2.gz VMABSZWRHUXXDE-VIFPVBQESA-N 1 0 307.806 3.473 50 0 DGAARO CSc1ccccc1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000038582333 183003603 /nfs/dbraw/zinc/00/36/03/183003603.db2.gz NYFHRDUJJJDUED-UHFFFAOYSA-N 1 0 306.475 3.259 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)CCCc1ccccc1)c1ccsc1 ZINC000038673272 183006346 /nfs/dbraw/zinc/00/63/46/183006346.db2.gz CLFKSIZKBRZGFJ-QGZVFWFLSA-N 1 0 316.470 3.490 50 0 DGAARO CC[NH+](CC)CCCNC(=O)c1ccc(SC(F)F)cc1 ZINC000040039557 183029159 /nfs/dbraw/zinc/02/91/59/183029159.db2.gz YIWUWLDGTMZAEN-UHFFFAOYSA-N 1 0 316.417 3.463 50 0 DGAARO CC[C@H]([NH2+]CCC(=O)Nc1cc(C)on1)c1ccc(OC)cc1 ZINC000039975603 183025760 /nfs/dbraw/zinc/02/57/60/183025760.db2.gz JWYSGZWMCNTIMR-HNNXBMFYSA-N 1 0 317.389 3.061 50 0 DGAARO CSc1ccccc1C(=O)NCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000040107573 183036432 /nfs/dbraw/zinc/03/64/32/183036432.db2.gz MJKYGBUBLWJEDC-KBPBESRZSA-N 1 0 306.475 3.116 50 0 DGAARO CC(C)[N@H+](Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000040473313 183074077 /nfs/dbraw/zinc/07/40/77/183074077.db2.gz KYSKXIXKDSNGOA-UHFFFAOYSA-N 1 0 307.397 3.105 50 0 DGAARO CC(C)(CNC(=O)c1cc2ccccc2o1)[NH+]1CCCCC1 ZINC000041297997 183184187 /nfs/dbraw/zinc/18/41/87/183184187.db2.gz BHXDQDUPRNPTTP-UHFFFAOYSA-N 1 0 300.402 3.427 50 0 DGAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2c(C)nn(C)c2C)cc1 ZINC000041619283 183210402 /nfs/dbraw/zinc/21/04/02/183210402.db2.gz ROQYJMXVDLRJEX-UHFFFAOYSA-N 1 0 314.433 3.131 50 0 DGAARO O=C(c1ccco1)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000042206486 183242399 /nfs/dbraw/zinc/24/23/99/183242399.db2.gz FZGQQFJLNUGBOU-UHFFFAOYSA-N 1 0 318.804 3.327 50 0 DGAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@H]1CCO ZINC000104384494 194004140 /nfs/dbraw/zinc/00/41/40/194004140.db2.gz ZHJATBXGHXAPRB-GOSISDBHSA-N 1 0 324.896 3.255 50 0 DGAARO O[C@H](C[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000106577084 194232712 /nfs/dbraw/zinc/23/27/12/194232712.db2.gz OMEWPFPWQIRGJZ-KBXCAEBGSA-N 1 0 303.352 3.488 50 0 DGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2cccs2)C1 ZINC000056168240 184006378 /nfs/dbraw/zinc/00/63/78/184006378.db2.gz VYHWMLKFAZQURS-ZBFHGGJFSA-N 1 0 314.454 3.242 50 0 DGAARO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000057456786 184038961 /nfs/dbraw/zinc/03/89/61/184038961.db2.gz QRZVOCKHHHKHNU-LBPRGKRZSA-N 1 0 302.349 3.124 50 0 DGAARO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2)c1 ZINC000058050886 184071298 /nfs/dbraw/zinc/07/12/98/184071298.db2.gz KEUMFDSCUTUOCV-UHFFFAOYSA-N 1 0 311.429 3.138 50 0 DGAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1occc1-c1ccccc1 ZINC000058106529 184075789 /nfs/dbraw/zinc/07/57/89/184075789.db2.gz HLRFBKMSNAJGRD-CQSZACIVSA-N 1 0 310.397 3.161 50 0 DGAARO C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058161078 184082853 /nfs/dbraw/zinc/08/28/53/184082853.db2.gz KRCQTGZVZPLBRQ-VXGBXAGGSA-N 1 0 324.877 3.174 50 0 DGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000058162928 184083375 /nfs/dbraw/zinc/08/33/75/184083375.db2.gz LCWIOFBRJIXJLN-LBPRGKRZSA-N 1 0 311.376 3.207 50 0 DGAARO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000058133238 184079451 /nfs/dbraw/zinc/07/94/51/184079451.db2.gz MECNXYWPXWSWFP-GFCCVEGCSA-N 1 0 314.360 3.145 50 0 DGAARO COCc1ccccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000058155498 184081654 /nfs/dbraw/zinc/08/16/54/184081654.db2.gz COQFDLHSDABPOK-KXBFYZLASA-N 1 0 318.461 3.073 50 0 DGAARO CCCN(C)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000058406175 184113595 /nfs/dbraw/zinc/11/35/95/184113595.db2.gz UNRNMWMPEZVMLP-UHFFFAOYSA-N 1 0 307.438 3.281 50 0 DGAARO CCC[NH+]1CCC(NC(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000058405026 184113887 /nfs/dbraw/zinc/11/38/87/184113887.db2.gz YMTOVVRQJGWREX-UHFFFAOYSA-N 1 0 313.445 3.091 50 0 DGAARO O=C(N[C@H]1CC[N@@H+](C2CCCCCC2)C1)c1cc(F)ccc1F ZINC000060359546 184147136 /nfs/dbraw/zinc/14/71/36/184147136.db2.gz FKCBHFKWZVAHJQ-AWEZNQCLSA-N 1 0 322.399 3.492 50 0 DGAARO CC1CCC([NH+]2CCC(N(C)C(=O)c3ccncc3)CC2)CC1 ZINC000061295799 184167519 /nfs/dbraw/zinc/16/75/19/184167519.db2.gz GDRSQILQEFTRHU-UHFFFAOYSA-N 1 0 315.461 3.197 50 0 DGAARO CCC[NH+]1CCC(N[C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000065387251 184334043 /nfs/dbraw/zinc/33/40/43/184334043.db2.gz KXIXCOVZWOJXOG-IBGZPJMESA-N 1 0 312.461 3.088 50 0 DGAARO Cn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000065285296 184321176 /nfs/dbraw/zinc/32/11/76/184321176.db2.gz MZRGIHJAFFDJNP-AWEZNQCLSA-N 1 0 310.376 3.097 50 0 DGAARO Cc1cccc(NC(=O)C[NH2+][C@H](C)CCc2ccco2)c1C ZINC000065371625 184329786 /nfs/dbraw/zinc/32/97/86/184329786.db2.gz SIFQEYCWHYOPDE-CQSZACIVSA-N 1 0 300.402 3.446 50 0 DGAARO CCOC1CC[NH+](CCC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000065371479 184330073 /nfs/dbraw/zinc/33/00/73/184330073.db2.gz OVPUQGQOMZCXJC-UHFFFAOYSA-N 1 0 324.852 3.478 50 0 DGAARO C[C@@H](c1ccc(-c2ccc(C(N)=O)cn2)cc1)[NH+]1CCCCC1 ZINC000065373465 184330653 /nfs/dbraw/zinc/33/06/53/184330653.db2.gz WOOIRUUNKIJNGT-AWEZNQCLSA-N 1 0 309.413 3.394 50 0 DGAARO Cc1ncsc1C[N@@H+](Cc1ccccc1)C[C@H]1CCOC1 ZINC000065381555 184332078 /nfs/dbraw/zinc/33/20/78/184332078.db2.gz SXEMPNVKMLENSZ-MRXNPFEDSA-N 1 0 302.443 3.490 50 0 DGAARO CCCC[C@@H]1C=CCN1C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000065381098 184332145 /nfs/dbraw/zinc/33/21/45/184332145.db2.gz HKBVWZVBXIXLPO-QGZVFWFLSA-N 1 0 316.445 3.449 50 0 DGAARO CCc1ccccc1OCC[N@@H+]1CC[C@@H](n2nc(C)cc2C)C1 ZINC000065428028 184343329 /nfs/dbraw/zinc/34/33/29/184343329.db2.gz YERVJEGRMBEWQM-GOSISDBHSA-N 1 0 313.445 3.388 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000065593530 184370435 /nfs/dbraw/zinc/37/04/35/184370435.db2.gz UNORZCVHDDWZAZ-MSOLQXFVSA-N 1 0 300.446 3.027 50 0 DGAARO Cc1ncsc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000065609018 184372570 /nfs/dbraw/zinc/37/25/70/184372570.db2.gz MNTVRJGKFZIKGI-UHFFFAOYSA-N 1 0 321.490 3.226 50 0 DGAARO Cc1cc2cc(C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)oc2cc1C ZINC000269233829 207357975 /nfs/dbraw/zinc/35/79/75/207357975.db2.gz BCBTZXMIKMFRTQ-ZIAGYGMSSA-N 1 0 300.402 3.249 50 0 DGAARO O=C(CC1CC[NH2+]CC1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000157825232 197218920 /nfs/dbraw/zinc/21/89/20/197218920.db2.gz ASYUQNRYXIDLPP-OAHLLOKOSA-N 1 0 306.837 3.046 50 0 DGAARO C[C@@H]1C[C@H](N(C)Cc2cnns2)CC[N@@H+]1Cc1ccccc1 ZINC000289951468 221337265 /nfs/dbraw/zinc/33/72/65/221337265.db2.gz HYJXAMNXWZTSAS-GDBMZVCRSA-N 1 0 316.474 3.023 50 0 DGAARO Cc1cn(-c2cncc(-c3cccc(OCC[NH+](C)C)c3)c2)cn1 ZINC000521398328 257234813 /nfs/dbraw/zinc/23/48/13/257234813.db2.gz OJKOKIMLEQVSLD-UHFFFAOYSA-N 1 0 322.412 3.183 50 0 DGAARO CN(Cc1ccc2cccc(Cl)c2n1)C[C@H]1CCC[N@@H+]1C ZINC000216486807 257273524 /nfs/dbraw/zinc/27/35/24/257273524.db2.gz PSLFRRNVAPTPOB-OAHLLOKOSA-N 1 0 303.837 3.414 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000237491768 257238722 /nfs/dbraw/zinc/23/87/22/257238722.db2.gz XOQMAPWIDTVGLF-QAPCUYQASA-N 1 0 324.424 3.217 50 0 DGAARO OCC1(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000521396920 257240409 /nfs/dbraw/zinc/24/04/09/257240409.db2.gz GKZZKQUMBXYFKK-ZWKOTPCHSA-N 1 0 303.446 3.092 50 0 DGAARO C[N@@H+]1CC[C@H](Nc2nc3ccccc3c(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000278806927 257257071 /nfs/dbraw/zinc/25/70/71/257257071.db2.gz RUEVDGYHHAIWON-IRXDYDNUSA-N 1 0 320.396 3.193 50 0 DGAARO COc1ccc(C(=O)Cn2cc(Cl)c(=[NH2+])c(Cl)c2)cc1 ZINC000334157751 257261834 /nfs/dbraw/zinc/26/18/34/257261834.db2.gz AHCVPPCTVOPHGY-UHFFFAOYSA-N 1 0 311.168 3.166 50 0 DGAARO Cc1cc(C2CCC2)nc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000071762706 257270397 /nfs/dbraw/zinc/27/03/97/257270397.db2.gz USSJLJVRYMIVJU-GOSISDBHSA-N 1 0 308.429 3.203 50 0 DGAARO C[NH+](C)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000071824094 184855389 /nfs/dbraw/zinc/85/53/89/184855389.db2.gz YCXFESDTFUMSCK-UHFFFAOYSA-N 1 0 322.452 3.449 50 0 DGAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(C)o3)C2)c1 ZINC000071924605 184907661 /nfs/dbraw/zinc/90/76/61/184907661.db2.gz RBAWGJWIWNCYJY-OAHLLOKOSA-N 1 0 300.402 3.213 50 0 DGAARO CC[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1 ZINC000090920346 400082269 /nfs/dbraw/zinc/08/22/69/400082269.db2.gz ASTYGFPEHHNYBQ-SFHVURJKSA-N 1 0 309.417 3.062 50 0 DGAARO c1ccc([C@@H](C[NH2+]C2CCOCC2)N2CCCCCC2)cc1 ZINC000584888273 400120616 /nfs/dbraw/zinc/12/06/16/400120616.db2.gz DPPVBPZUVBWTBO-LJQANCHMSA-N 1 0 302.462 3.372 50 0 DGAARO C[C@H]([NH2+]C1CCN(c2ccccc2Cl)CC1)c1cnn(C)c1 ZINC000584890871 400122220 /nfs/dbraw/zinc/12/22/20/400122220.db2.gz KWDZLBAWSYCPGS-ZDUSSCGKSA-N 1 0 318.852 3.393 50 0 DGAARO CC[C@H](Cn1cnc2c(Cl)ccc(Cl)c2c1=O)[NH+](C)C ZINC000584901600 400124171 /nfs/dbraw/zinc/12/41/71/400124171.db2.gz CDCHINHKCCACNJ-SECBINFHSA-N 1 0 314.216 3.044 50 0 DGAARO CCc1nccn1CCC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000584903558 400124495 /nfs/dbraw/zinc/12/44/95/400124495.db2.gz DQSPCKSULDDCPC-UHFFFAOYSA-N 1 0 315.461 3.024 50 0 DGAARO C[C@H](C[C@@H](C)SC1CCCC1)[NH2+][C@H]1CCc2ncnn2C1 ZINC000585135076 400127001 /nfs/dbraw/zinc/12/70/01/400127001.db2.gz WOGFOGIGIULZOD-MCIONIFRSA-N 1 0 308.495 3.025 50 0 DGAARO c1ccc(-c2noc(C[NH2+][C@@H]3CCc4cccnc4CC3)n2)cc1 ZINC000585136438 400127137 /nfs/dbraw/zinc/12/71/37/400127137.db2.gz GDEUWJZVKFKJQK-MRXNPFEDSA-N 1 0 320.396 3.169 50 0 DGAARO O=c1cc(C[NH+]2CCC(OCc3ccccc3F)CC2)cc[nH]1 ZINC000585136431 400127755 /nfs/dbraw/zinc/12/77/55/400127755.db2.gz FSCDGUARSVGCRP-UHFFFAOYSA-N 1 0 316.376 3.108 50 0 DGAARO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000092354881 400168508 /nfs/dbraw/zinc/16/85/08/400168508.db2.gz ULTWBMROEDROAQ-GOEBONIOSA-N 1 0 306.425 3.246 50 0 DGAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc(Br)c1 ZINC000022078150 400198574 /nfs/dbraw/zinc/19/85/74/400198574.db2.gz PRBCIHVYPSKWBP-SWLSCSKDSA-N 1 0 309.251 3.118 50 0 DGAARO O=C(OCc1cncc2ccccc21)c1ccn2c[nH+]cc2c1 ZINC000097230490 400283443 /nfs/dbraw/zinc/28/34/43/400283443.db2.gz XCWDSUDQVIWZFD-UHFFFAOYSA-N 1 0 303.321 3.240 50 0 DGAARO C[C@H]([NH2+]CCn1c(=O)oc2cccnc21)c1cc2ccccc2o1 ZINC000097374207 400285458 /nfs/dbraw/zinc/28/54/58/400285458.db2.gz PTUWYNLSVOCCJS-LBPRGKRZSA-N 1 0 323.352 3.087 50 0 DGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(OC)c1OC ZINC000072298410 400380298 /nfs/dbraw/zinc/38/02/98/400380298.db2.gz QHAKFWJNVWSVBO-HNNXBMFYSA-N 1 0 315.417 3.087 50 0 DGAARO O=C(c1ccc[nH]1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638379 400329188 /nfs/dbraw/zinc/32/91/88/400329188.db2.gz VFHOLZJMMSXFPZ-RTBURBONSA-N 1 0 323.440 3.284 50 0 DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000069967187 400350021 /nfs/dbraw/zinc/35/00/21/400350021.db2.gz RSWBGCJWIALVPY-DLBZAZTESA-N 1 0 323.444 3.176 50 0 DGAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2nc(C)n3ccccc23)C1 ZINC000072123985 400374544 /nfs/dbraw/zinc/37/45/44/400374544.db2.gz KJGVKMOIEMECNW-KRWDZBQOSA-N 1 0 323.444 3.060 50 0 DGAARO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1C ZINC000129036392 400521417 /nfs/dbraw/zinc/52/14/17/400521417.db2.gz GKHHNHMTTRLLJF-JKIFEVAISA-N 1 0 309.475 3.146 50 0 DGAARO O=C(CC[NH+]1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000075273801 400568037 /nfs/dbraw/zinc/56/80/37/400568037.db2.gz KNVXSNARBUDTEY-UHFFFAOYSA-N 1 0 316.323 3.400 50 0 DGAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000076057571 400630724 /nfs/dbraw/zinc/63/07/24/400630724.db2.gz LIYAOAANQPSUKT-YOEHRIQHSA-N 1 0 313.445 3.151 50 0 DGAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000076066685 400630740 /nfs/dbraw/zinc/63/07/40/400630740.db2.gz GBRDOPUOFHAYIX-HNNXBMFYSA-N 1 0 321.469 3.029 50 0 DGAARO CCn1c2cccc(F)c2nc1C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000075606681 400596816 /nfs/dbraw/zinc/59/68/16/400596816.db2.gz YMSUUVGULZRCEJ-STQMWFEESA-N 1 0 315.396 3.131 50 0 DGAARO COc1ccccc1-c1nnc(C[NH2+][C@H]2CCCC[C@@H]2C)o1 ZINC000162408759 400745358 /nfs/dbraw/zinc/74/53/58/400745358.db2.gz CRWYEIAFULYWPF-JSGCOSHPSA-N 1 0 301.390 3.414 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000169678020 400758919 /nfs/dbraw/zinc/75/89/19/400758919.db2.gz RJQNXULNKICSRK-SJLPKXTDSA-N 1 0 323.477 3.329 50 0 DGAARO CCCCS[C@H](C)C(=O)N(CC)C[C@@H]1CCC[N@@H+]1CC ZINC000170599153 400764660 /nfs/dbraw/zinc/76/46/60/400764660.db2.gz ZXELEAJHYFKAAB-CABCVRRESA-N 1 0 300.512 3.241 50 0 DGAARO CN(C)c1cccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000078757912 400825158 /nfs/dbraw/zinc/82/51/58/400825158.db2.gz VDRKBEWMKAGVES-UHFFFAOYSA-N 1 0 320.440 3.287 50 0 DGAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000078898048 400831403 /nfs/dbraw/zinc/83/14/03/400831403.db2.gz RNIYGYSAPFHTLF-MEDUHNTESA-N 1 0 324.827 3.216 50 0 DGAARO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1C ZINC000078898401 400832750 /nfs/dbraw/zinc/83/27/50/400832750.db2.gz IXTDTCZVYIDDFO-VQIMIIECSA-N 1 0 314.473 3.348 50 0 DGAARO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1C ZINC000078898407 400832787 /nfs/dbraw/zinc/83/27/87/400832787.db2.gz IXTDTCZVYIDDFO-APWZRJJASA-N 1 0 314.473 3.348 50 0 DGAARO CCOc1ccccc1C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000080366820 400944870 /nfs/dbraw/zinc/94/48/70/400944870.db2.gz GJWUPJUXTHVFLW-OAQYLSRUSA-N 1 0 303.427 3.113 50 0 DGAARO Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000195542367 400924000 /nfs/dbraw/zinc/92/40/00/400924000.db2.gz SFKVFPDMRHAPAT-PVAVHDDUSA-N 1 0 324.428 3.040 50 0 DGAARO O[C@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccncc1 ZINC000195560794 400925429 /nfs/dbraw/zinc/92/54/29/400925429.db2.gz AUNIRMAGBREALY-MOPGFXCFSA-N 1 0 323.371 3.028 50 0 DGAARO Cc1cscc1C(=O)Nc1cccc2c1CN([C@@H](C)CO)C2 ZINC000195560344 400925533 /nfs/dbraw/zinc/92/55/33/400925533.db2.gz ZOJJMSKVBSWEEI-LBPRGKRZSA-N 1 0 316.426 3.005 50 0 DGAARO Cn1cc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C2=CCCCC2)cn1 ZINC000245316762 401005103 /nfs/dbraw/zinc/00/51/03/401005103.db2.gz KOOBHURFQHPOJW-RCCFBDPRSA-N 1 0 303.450 3.102 50 0 DGAARO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccccc1CO ZINC000225581209 400959053 /nfs/dbraw/zinc/95/90/53/400959053.db2.gz SVJZOHLQTKYBGC-SFHVURJKSA-N 1 0 313.397 3.191 50 0 DGAARO Cc1cc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)[nH]n1 ZINC000229923208 400967667 /nfs/dbraw/zinc/96/76/67/400967667.db2.gz YICHVJOOWCYNCY-RHSMWYFYSA-N 1 0 319.836 3.285 50 0 DGAARO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000089262177 401213713 /nfs/dbraw/zinc/21/37/13/401213713.db2.gz BNBPVWPBKBSWPQ-ZUTYSQTGSA-N 1 0 308.429 3.139 50 0 DGAARO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3)C2)[nH]n1 ZINC000089599023 401228189 /nfs/dbraw/zinc/22/81/89/401228189.db2.gz YICHVJOOWCYNCY-PBHICJAKSA-N 1 0 319.836 3.285 50 0 DGAARO Cc1ccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2[NH+](C)C)cc1 ZINC000095523088 292219571 /nfs/dbraw/zinc/21/95/71/292219571.db2.gz ARLTVGUGIVKYDA-ZWKOTPCHSA-N 1 0 300.446 3.041 50 0 DGAARO COc1cccc(CN[C@H](C)C[NH+]2CCCCCC2)c1OC ZINC000187565946 165095788 /nfs/dbraw/zinc/09/57/88/165095788.db2.gz BWXQOMCMEHGNHO-OAHLLOKOSA-N 1 0 306.450 3.058 50 0 DGAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H](C)c1ccncc1 ZINC000108087544 287126255 /nfs/dbraw/zinc/12/62/55/287126255.db2.gz HYPASAYFPYCQCY-BFYDXBDKSA-N 1 0 303.450 3.015 50 0 DGAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2nncn2-c2ccccc2)C1 ZINC000129264757 196033624 /nfs/dbraw/zinc/03/36/24/196033624.db2.gz NIGBYKMQTPUVLE-OLZOCXBDSA-N 1 0 324.350 3.478 50 0 DGAARO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000136833456 432163383 /nfs/dbraw/zinc/16/33/83/432163383.db2.gz ZAGNCWIRSNRLBU-GOEBONIOSA-N 1 0 305.466 3.061 50 0 DGAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cscn2)[C@@H]1c1cccs1 ZINC000129771470 196074601 /nfs/dbraw/zinc/07/46/01/196074601.db2.gz BPXZSCXBQFQQSB-SMDDNHRTSA-N 1 0 321.471 3.018 50 0 DGAARO CC1(C)C[C@@H]([NH2+]Cc2cc(C(N)=O)cs2)c2ccccc2O1 ZINC000133925441 196346487 /nfs/dbraw/zinc/34/64/87/196346487.db2.gz NTMFNGBYRNOHLX-CQSZACIVSA-N 1 0 316.426 3.239 50 0 DGAARO Cc1cc(Cl)cc2c(N3C[C@H]([NH3+])[C@@H](C4CC4)C3)ccnc12 ZINC000095353308 274698751 /nfs/dbraw/zinc/69/87/51/274698751.db2.gz FERIDWMWXYHNJJ-CABCVRRESA-N 1 0 301.821 3.370 50 0 DGAARO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000095369315 275008122 /nfs/dbraw/zinc/00/81/22/275008122.db2.gz LGMWREIOQWISTR-HXUWFJFHSA-N 1 0 320.436 3.236 50 0 DGAARO OC[C@@]1(O)CCC[N@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC000072151331 275049323 /nfs/dbraw/zinc/04/93/23/275049323.db2.gz CPSHLUCZKNJZJK-HXUWFJFHSA-N 1 0 311.425 3.063 50 0 DGAARO C/C(=C\c1ccccc1)[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007125588 275401109 /nfs/dbraw/zinc/40/11/09/275401109.db2.gz YSUVMVPFDVAORU-PCUGXKRQSA-N 1 0 303.369 3.188 50 0 DGAARO CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)C[C@H]1C(C)C ZINC000077486682 275484921 /nfs/dbraw/zinc/48/49/21/275484921.db2.gz LHEUJDGKGXIPIV-FUHWJXTLSA-N 1 0 311.429 3.140 50 0 DGAARO CC(C)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000004741559 275747594 /nfs/dbraw/zinc/74/75/94/275747594.db2.gz XCYOZUJPOYDGRL-MRXNPFEDSA-N 1 0 305.385 3.447 50 0 DGAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCc2ccccc21 ZINC000065517661 275771610 /nfs/dbraw/zinc/77/16/10/275771610.db2.gz DPELFOWAEZNZAH-KRWDZBQOSA-N 1 0 312.461 3.387 50 0 DGAARO CCN(C(=O)c1ccncc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630829 276064601 /nfs/dbraw/zinc/06/46/01/276064601.db2.gz KOEHSYLEWCJSAR-APWZRJJASA-N 1 0 323.440 3.379 50 0 DGAARO CC[NH+](CC)CCNC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000042845197 276326787 /nfs/dbraw/zinc/32/67/87/276326787.db2.gz NAWBTRSAHGZMHH-INIZCTEOSA-N 1 0 307.413 3.014 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C12CCC2 ZINC000095423222 276344084 /nfs/dbraw/zinc/34/40/84/276344084.db2.gz YERGNNIBUQSHJG-DNCHLWJUSA-N 1 0 321.383 3.160 50 0 DGAARO CCO[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCCC2 ZINC000096493350 276490479 /nfs/dbraw/zinc/49/04/79/276490479.db2.gz AZHRFBZNJWBEAJ-IRXDYDNUSA-N 1 0 317.477 3.089 50 0 DGAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000221901549 276681456 /nfs/dbraw/zinc/68/14/56/276681456.db2.gz SPAINJOHIWKWDZ-SZUSHISOSA-N 1 0 309.450 3.482 50 0 DGAARO COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)c1 ZINC000299796703 277439719 /nfs/dbraw/zinc/43/97/19/277439719.db2.gz PHBFYPBMEHUZPP-AWEZNQCLSA-N 1 0 317.772 3.056 50 0 DGAARO COc1ccccc1NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000056517455 278057864 /nfs/dbraw/zinc/05/78/64/278057864.db2.gz LRKHIOSVJRAHJW-QLFBSQMISA-N 1 0 319.449 3.183 50 0 DGAARO C[C@H](CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000170062311 278173926 /nfs/dbraw/zinc/17/39/26/278173926.db2.gz RBUMWEATONXZAT-CGSMKXTHSA-N 1 0 307.459 3.180 50 0 DGAARO C[C@@H](CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000170062308 278233648 /nfs/dbraw/zinc/23/36/48/278233648.db2.gz RBUMWEATONXZAT-YHQOMNDMSA-N 1 0 307.459 3.180 50 0 DGAARO CC(=O)c1ccccc1-c1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000426421885 278252133 /nfs/dbraw/zinc/25/21/33/278252133.db2.gz NJGWGYDRFUPXQA-QGZVFWFLSA-N 1 0 322.408 3.120 50 0 DGAARO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000097034473 278302130 /nfs/dbraw/zinc/30/21/30/278302130.db2.gz BCGZDQBKUYFISC-QWRGUYRKSA-N 1 0 304.781 3.417 50 0 DGAARO Cc1ccc([C@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1 ZINC000000072766 431118683 /nfs/dbraw/zinc/11/86/83/431118683.db2.gz SNOJDAANBYTPRC-QGZVFWFLSA-N 1 0 304.459 3.055 50 0 DGAARO CC(C)C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000096476808 279003748 /nfs/dbraw/zinc/00/37/48/279003748.db2.gz INFSKTHEUGYCAY-DZGCQCFKSA-N 1 0 315.383 3.395 50 0 DGAARO C[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCCC1 ZINC000000169317 431140229 /nfs/dbraw/zinc/14/02/29/431140229.db2.gz GHRBREPMRJCPLY-KRWDZBQOSA-N 1 0 314.473 3.489 50 0 DGAARO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000250988827 279365829 /nfs/dbraw/zinc/36/58/29/279365829.db2.gz LESMAFQAYBSIQJ-KBMXLJTQSA-N 1 0 301.496 3.148 50 0 DGAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000000299569 431162912 /nfs/dbraw/zinc/16/29/12/431162912.db2.gz RLWBOOYXLWIZJC-ZDUSSCGKSA-N 1 0 308.853 3.467 50 0 DGAARO C[N@H+](Cc1ccccc1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000000317737 431163886 /nfs/dbraw/zinc/16/38/86/431163886.db2.gz AZFQOXLBXIYXKI-UHFFFAOYSA-N 1 0 322.452 3.352 50 0 DGAARO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C)c(C)c2)CC1 ZINC000069178887 431166721 /nfs/dbraw/zinc/16/67/21/431166721.db2.gz SIGUNHWDRRIPKC-UHFFFAOYSA-N 1 0 303.450 3.122 50 0 DGAARO COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3CCO)o2)cc1 ZINC000069249957 431171562 /nfs/dbraw/zinc/17/15/62/431171562.db2.gz DRVPLJVMCCWDIS-HNNXBMFYSA-N 1 0 316.401 3.087 50 0 DGAARO C[n+]1cc(C(=O)N2CCCC2)c2cc1CCCCCCCC2 ZINC000000387536 431174849 /nfs/dbraw/zinc/17/48/49/431174849.db2.gz HUNWFDZZUQXMNO-UHFFFAOYSA-N 1 0 301.454 3.186 50 0 DGAARO CC[NH+](CC)CCNc1c2c(C)nn(C)c2nc2ccccc21 ZINC000000392091 431175486 /nfs/dbraw/zinc/17/54/86/431175486.db2.gz JPABFGNCIZFNKZ-UHFFFAOYSA-N 1 0 311.433 3.184 50 0 DGAARO CC(=O)N1CC[n+]2cc(-c3ccc(Cl)cc3Cl)sc21 ZINC000000392223 431176390 /nfs/dbraw/zinc/17/63/90/431176390.db2.gz YWUFDEJQXDDAIA-UHFFFAOYSA-N 1 0 314.217 3.376 50 0 DGAARO C[C@@H](Cn1cccn1)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000069375436 431179200 /nfs/dbraw/zinc/17/92/00/431179200.db2.gz LGRYESQHVNGRBN-LBPRGKRZSA-N 1 0 316.405 3.324 50 0 DGAARO CC[NH+]1CCC(NC(=O)/C=C(/C)CCc2ccccc2)CC1 ZINC000069415490 431182325 /nfs/dbraw/zinc/18/23/25/431182325.db2.gz STAVUZURFHZWTF-NXVVXOECSA-N 1 0 300.446 3.166 50 0 DGAARO C[C@H]([C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)n1cccn1 ZINC000069418021 431183134 /nfs/dbraw/zinc/18/31/34/431183134.db2.gz WITUHJXCXMWRDI-QWHCGFSZSA-N 1 0 313.380 3.152 50 0 DGAARO C[C@H](CCc1ccccc1)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000069420613 431186744 /nfs/dbraw/zinc/18/67/44/431186744.db2.gz RRSJELXAZVCGII-MRXNPFEDSA-N 1 0 302.462 3.198 50 0 DGAARO C/C(=C/C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000069454251 431190021 /nfs/dbraw/zinc/19/00/21/431190021.db2.gz CEYAGWGIGAJQST-ZUTYSQTGSA-N 1 0 312.457 3.024 50 0 DGAARO Cc1cnn(C[C@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)c1 ZINC000069521620 431196127 /nfs/dbraw/zinc/19/61/27/431196127.db2.gz XHAJLVJKXBFXCD-LBPRGKRZSA-N 1 0 316.430 3.395 50 0 DGAARO COc1ccc(OC)c(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000000212038 431146262 /nfs/dbraw/zinc/14/62/62/431146262.db2.gz REPBFNPPAKHMNP-KBPBESRZSA-N 1 0 320.433 3.010 50 0 DGAARO NC(=O)[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1ccccc1 ZINC000068951737 431153246 /nfs/dbraw/zinc/15/32/46/431153246.db2.gz XGWLRYQMRRJXOO-INIZCTEOSA-N 1 0 312.438 3.128 50 0 DGAARO Cc1n[nH]c(C)c1NC(=O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000069608119 431202965 /nfs/dbraw/zinc/20/29/65/431202965.db2.gz MJXLNKOXEMCEMH-UHFFFAOYSA-N 1 0 304.438 3.010 50 0 DGAARO O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000001250072 431215755 /nfs/dbraw/zinc/21/57/55/431215755.db2.gz OZLFWGFNBXLDCI-RTWAWAEBSA-N 1 0 307.437 3.459 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000069742457 431220624 /nfs/dbraw/zinc/22/06/24/431220624.db2.gz GUTYJSHOGDKGEM-TVFCKZIOSA-N 1 0 316.420 3.014 50 0 DGAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069872373 431228463 /nfs/dbraw/zinc/22/84/63/431228463.db2.gz FYPVPNGQKGWZRX-CABCVRRESA-N 1 0 322.836 3.047 50 0 DGAARO C[N@@H+]1CCC[C@@H](CSc2nnc(Cc3ccccc3F)o2)C1 ZINC000069977898 431236408 /nfs/dbraw/zinc/23/64/08/431236408.db2.gz JHUFNRFSZJUKKM-GFCCVEGCSA-N 1 0 321.421 3.233 50 0 DGAARO COc1cccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000002451786 431252910 /nfs/dbraw/zinc/25/29/10/431252910.db2.gz GRNPLWSWJRRCFT-AWEZNQCLSA-N 1 0 309.450 3.239 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCCCC2)c2ccc(C)cc12 ZINC000002493220 431254513 /nfs/dbraw/zinc/25/45/13/431254513.db2.gz QFJLVIBQTRNFGH-QGZVFWFLSA-N 1 0 300.446 3.413 50 0 DGAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1 ZINC000002578328 431257016 /nfs/dbraw/zinc/25/70/16/431257016.db2.gz QQRLABYZKZTRQI-MRXNPFEDSA-N 1 0 303.385 3.143 50 0 DGAARO COc1ccccc1CC[NH2+]Cc1ccc(OC)c(C)c1OC ZINC000002903020 431276143 /nfs/dbraw/zinc/27/61/43/431276143.db2.gz ROGYMJJCZPVWHB-UHFFFAOYSA-N 1 0 315.413 3.353 50 0 biogenic DGAARO CCCC[N@H+](C)CCNC(=O)CSCc1ccc(C)cc1 ZINC000002965284 431277729 /nfs/dbraw/zinc/27/77/29/431277729.db2.gz VPJRVQRYPLXNSJ-UHFFFAOYSA-N 1 0 308.491 3.076 50 0 DGAARO COCC[NH2+]CCOc1c(Cl)cc(C)cc1Br ZINC000003003249 431281522 /nfs/dbraw/zinc/28/15/22/431281522.db2.gz FHTBTLOSSLJUHK-UHFFFAOYSA-N 1 0 322.630 3.026 50 0 DGAARO COc1cccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCCO3)cs2)c1 ZINC000071793581 431289374 /nfs/dbraw/zinc/28/93/74/431289374.db2.gz CCSRKGZCJJFYRN-BLLLJJGKSA-N 1 0 318.442 3.476 50 0 DGAARO CC[NH+](CC)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000003864499 431294616 /nfs/dbraw/zinc/29/46/16/431294616.db2.gz BSRICKLJRJYSGU-NNGLDNROSA-N 1 0 309.494 3.312 50 0 DGAARO COc1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1F ZINC000071844049 431299737 /nfs/dbraw/zinc/29/97/37/431299737.db2.gz IJEUTHAGWVIKGR-WMZOPIPTSA-N 1 0 315.388 3.357 50 0 DGAARO Cc1cccc(O[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000005002349 431303765 /nfs/dbraw/zinc/30/37/65/431303765.db2.gz WGXSYQCOLGRNLU-AWEZNQCLSA-N 1 0 318.461 3.188 50 0 DGAARO COc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c(C(C)(C)C)c1 ZINC000002685825 431262737 /nfs/dbraw/zinc/26/27/37/431262737.db2.gz NEGLVMYDJLCCDZ-ZDUSSCGKSA-N 1 0 309.450 3.121 50 0 DGAARO COC(=O)c1ccc(OCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000002823790 431272402 /nfs/dbraw/zinc/27/24/02/431272402.db2.gz XQAHUJGDCJKCRU-HNNXBMFYSA-N 1 0 305.418 3.364 50 0 DGAARO CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000002859432 431273475 /nfs/dbraw/zinc/27/34/75/431273475.db2.gz BVEKCRGKAYWDCY-UHFFFAOYSA-N 1 0 311.223 3.120 50 0 DGAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccsc3)C2)c1 ZINC000071924607 431318408 /nfs/dbraw/zinc/31/84/08/431318408.db2.gz MADYOUUGBJKJDJ-AWEZNQCLSA-N 1 0 302.443 3.373 50 0 DGAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)o3)C2)c1 ZINC000071924604 431318444 /nfs/dbraw/zinc/31/84/44/431318444.db2.gz RBAWGJWIWNCYJY-HNNXBMFYSA-N 1 0 300.402 3.213 50 0 DGAARO CCCC[NH+](CCCC)C[C@@H](O)COCc1cccc(OC)c1 ZINC000006936600 431324987 /nfs/dbraw/zinc/32/49/87/431324987.db2.gz RGAWRPVBUPXILW-GOSISDBHSA-N 1 0 323.477 3.475 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2ccccc2n1 ZINC000006992400 431326583 /nfs/dbraw/zinc/32/65/83/431326583.db2.gz AZBCYUVEUFOULE-UHFFFAOYSA-N 1 0 319.408 3.226 50 0 DGAARO CN(Cc1nc2ccccc2[nH]1)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000072158960 431330938 /nfs/dbraw/zinc/33/09/38/431330938.db2.gz NZLMPTJCASKKAQ-QGZVFWFLSA-N 1 0 320.440 3.051 50 0 DGAARO Cc1nc(C(F)(F)F)nc(N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000072150752 431331658 /nfs/dbraw/zinc/33/16/58/431331658.db2.gz GNILKYDZHAFZTR-GFCCVEGCSA-N 1 0 316.371 3.033 50 0 DGAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000007107275 431332158 /nfs/dbraw/zinc/33/21/58/431332158.db2.gz KMRMXZVRKZQYRB-UHFFFAOYSA-N 1 0 309.413 3.081 50 0 DGAARO CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-n2ccnc2)cc1 ZINC000072411588 431335835 /nfs/dbraw/zinc/33/58/35/431335835.db2.gz WPYOVHSNSOTOMR-IBGZPJMESA-N 1 0 321.428 3.343 50 0 DGAARO CCOc1cc(-c2nccn2CCNc2cccnc2)ccc1O ZINC000072436222 431336781 /nfs/dbraw/zinc/33/67/81/431336781.db2.gz MEFPOPNHQUBHTK-UHFFFAOYSA-N 1 0 324.384 3.162 50 0 DGAARO C[C@H](O)c1ccc(-c2ccc(CNCCC[NH+](C)C)o2)cc1 ZINC000007541037 431352805 /nfs/dbraw/zinc/35/28/05/431352805.db2.gz BUYLLSAXDSXYPX-AWEZNQCLSA-N 1 0 302.418 3.041 50 0 DGAARO C[NH+](C)CCCNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000007526514 431354463 /nfs/dbraw/zinc/35/44/63/431354463.db2.gz VFQUAHFCBDQFOS-UHFFFAOYSA-N 1 0 319.446 3.239 50 0 DGAARO COc1cccc(NC(=S)NCC2([NH+](C)C)CCCCC2)c1 ZINC000007583672 431354948 /nfs/dbraw/zinc/35/49/48/431354948.db2.gz IHNIQUGGQNACCY-UHFFFAOYSA-N 1 0 321.490 3.246 50 0 DGAARO CCCOc1ccc(C2[N+](=O)[C@](C)(CC)N(O)C2(C)C)cc1 ZINC000007813434 431364800 /nfs/dbraw/zinc/36/48/00/431364800.db2.gz HSFXFGVFVUCMRZ-KRWDZBQOSA-N 1 0 306.406 3.384 50 0 DGAARO Cc1cccc2c(=O)c(C[N@@H+](C)C3CCN(C)CC3)c(C)[nH]c12 ZINC000008911506 431418030 /nfs/dbraw/zinc/41/80/30/431418030.db2.gz ICMLQTCESOZVLB-UHFFFAOYSA-N 1 0 313.445 3.083 50 0 DGAARO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000075094152 431450219 /nfs/dbraw/zinc/45/02/19/431450219.db2.gz FGXIJVCWNPGSEJ-HOCLYGCPSA-N 1 0 319.449 3.422 50 0 DGAARO Cc1ccc(CN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000075093389 431450981 /nfs/dbraw/zinc/45/09/81/431450981.db2.gz MCKBQIMHNHAMGD-HNNXBMFYSA-N 1 0 304.434 3.201 50 0 DGAARO CC(C)CC[NH+]1CCC(CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC000075106155 431453670 /nfs/dbraw/zinc/45/36/70/431453670.db2.gz KRAKIZUZIMKULP-UHFFFAOYSA-N 1 0 324.415 3.453 50 0 DGAARO Cc1sc2ncnc(N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)c2c1C ZINC000075105838 431454625 /nfs/dbraw/zinc/45/46/25/431454625.db2.gz SMXHBZICMASRAO-GWCFXTLKSA-N 1 0 304.463 3.085 50 0 DGAARO COc1ccc(OCCSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000012866421 431532662 /nfs/dbraw/zinc/53/26/62/431532662.db2.gz NOZUYOHBQCERAJ-HUUCEWRRSA-N 1 0 306.431 3.078 50 0 DGAARO Cc1ccccc1C[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000012745275 431524421 /nfs/dbraw/zinc/52/44/21/431524421.db2.gz VEKUKOSLWNATKD-UHFFFAOYSA-N 1 0 318.424 3.260 50 0 DGAARO Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000012748280 431525368 /nfs/dbraw/zinc/52/53/68/431525368.db2.gz FSWHYKQANXENEM-GOSISDBHSA-N 1 0 314.404 3.475 50 0 DGAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012773678 431525847 /nfs/dbraw/zinc/52/58/47/431525847.db2.gz WSHWHGAFGMRJEG-GOSISDBHSA-N 1 0 310.397 3.131 50 0 DGAARO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000012796637 431529453 /nfs/dbraw/zinc/52/94/53/431529453.db2.gz JSTIKEGQAARPQX-OLZOCXBDSA-N 1 0 318.442 3.112 50 0 DGAARO O=C(CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1)NC1CC1 ZINC000011843276 431483067 /nfs/dbraw/zinc/48/30/67/431483067.db2.gz GURLHTGZJDENRB-CYBMUJFWSA-N 1 0 322.399 3.236 50 0 DGAARO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+]1CCCC[C@H]1CO ZINC000012027252 431489742 /nfs/dbraw/zinc/48/97/42/431489742.db2.gz KNKNICLHXBDPNG-HNNXBMFYSA-N 1 0 304.365 3.136 50 0 DGAARO CC(C)CCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccccc1F ZINC000012041078 431491347 /nfs/dbraw/zinc/49/13/47/431491347.db2.gz JRKIPAXDZOAZFJ-INIZCTEOSA-N 1 0 306.425 3.343 50 0 DGAARO c1cc(N[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc2c1OCO2 ZINC000012302123 431501772 /nfs/dbraw/zinc/50/17/72/431501772.db2.gz KWBJVGAQSRQFPV-CQSZACIVSA-N 1 0 320.458 3.187 50 0 DGAARO C[C@H](NC(=O)C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000012383839 431507030 /nfs/dbraw/zinc/50/70/30/431507030.db2.gz INUZTRBKMODGOA-INIZCTEOSA-N 1 0 323.440 3.171 50 0 DGAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](CC)C1 ZINC000012429496 431509028 /nfs/dbraw/zinc/50/90/28/431509028.db2.gz JPPMCWRILYSJPV-GOSISDBHSA-N 1 0 305.418 3.121 50 0 DGAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCSCC3)C2)c1 ZINC000012465537 431510088 /nfs/dbraw/zinc/51/00/88/431510088.db2.gz QIRQHQPJAKRNMU-HNNXBMFYSA-N 1 0 319.470 3.486 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000012941975 431537171 /nfs/dbraw/zinc/53/71/71/431537171.db2.gz XIFKEQNEQPVOKY-QGZVFWFLSA-N 1 0 323.396 3.328 50 0 DGAARO CCCn1ccc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc21 ZINC000076328068 431539309 /nfs/dbraw/zinc/53/93/09/431539309.db2.gz ITJGTOTUZNAGHE-UHFFFAOYSA-N 1 0 314.433 3.267 50 0 DGAARO c1ccc(-c2ncc3c(n2)CCC[C@H]3[NH2+]C2CCOCC2)cc1 ZINC000014979979 431597977 /nfs/dbraw/zinc/59/79/77/431597977.db2.gz SIAGBFFFCNTABF-QGZVFWFLSA-N 1 0 309.413 3.290 50 0 DGAARO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)cc1OCC ZINC000014135391 431578607 /nfs/dbraw/zinc/57/86/07/431578607.db2.gz JBXFJRXYPRIXRN-CQSZACIVSA-N 1 0 320.433 3.297 50 0 DGAARO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1cccs1 ZINC000014186155 431581744 /nfs/dbraw/zinc/58/17/44/431581744.db2.gz BXEHHBAUTBKSQE-GFCCVEGCSA-N 1 0 318.446 3.349 50 0 DGAARO COc1cccc(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000014168436 431582665 /nfs/dbraw/zinc/58/26/65/431582665.db2.gz QCJJOVYMAOTCMG-UHFFFAOYSA-N 1 0 324.424 3.472 50 0 DGAARO Cc1ccsc1-c1nccn1[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000077323726 431585749 /nfs/dbraw/zinc/58/57/49/431585749.db2.gz KSVPEVYPGUXQBV-GJZGRUSLSA-N 1 0 317.458 3.346 50 0 DGAARO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCCCCC1 ZINC000025408004 431654941 /nfs/dbraw/zinc/65/49/41/431654941.db2.gz CLFSAWKKFFBMKJ-HNNXBMFYSA-N 1 0 313.445 3.091 50 0 DGAARO C[N+](Cc1ccccc1)=C1C=C(N2CCOCC2)CC(C)(C)C1 ZINC000025514596 431656713 /nfs/dbraw/zinc/65/67/13/431656713.db2.gz LXQWPIVIZSRLKM-UHFFFAOYSA-N 1 0 313.465 3.306 50 0 DGAARO O[C@@H](C[NH+]1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc21 ZINC000019939947 431622463 /nfs/dbraw/zinc/62/24/63/431622463.db2.gz PZKBVQZFRLKVQZ-FQEVSTJZSA-N 1 0 321.424 3.024 50 0 DGAARO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)no1 ZINC000024673700 431644222 /nfs/dbraw/zinc/64/42/22/431644222.db2.gz DJHICZMZNHNSBQ-AWEZNQCLSA-N 1 0 313.401 3.222 50 0 DGAARO CC(=O)Nc1ccc(CC[NH2+]Cc2c(F)cccc2F)cc1 ZINC000078411699 431666983 /nfs/dbraw/zinc/66/69/83/431666983.db2.gz GMGRCUDFUSLCNT-UHFFFAOYSA-N 1 0 304.340 3.256 50 0 DGAARO Cc1[nH]c2ccc(C(=O)NCC[N@@H+](C)C3CCCC3)cc2c1C ZINC000078442950 431669102 /nfs/dbraw/zinc/66/91/02/431669102.db2.gz FIJXJAGUIFRYRN-UHFFFAOYSA-N 1 0 313.445 3.389 50 0 DGAARO CC(=O)Nc1cccc(OCC[NH2+]Cc2cc(F)ccc2F)c1 ZINC000078552573 431682164 /nfs/dbraw/zinc/68/21/64/431682164.db2.gz HHUYDJLKGBBZJG-UHFFFAOYSA-N 1 0 320.339 3.092 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)n1)c1ccccc1 ZINC000027088059 431682508 /nfs/dbraw/zinc/68/25/08/431682508.db2.gz RWCCCULBVYQCCD-SFHVURJKSA-N 1 0 311.429 3.203 50 0 DGAARO COc1ccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)cc1 ZINC000078552805 431682871 /nfs/dbraw/zinc/68/28/71/431682871.db2.gz HFLWAABTZVHOQT-UHFFFAOYSA-N 1 0 317.360 3.033 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000078604216 431689178 /nfs/dbraw/zinc/68/91/78/431689178.db2.gz SANWWNRQVACDHZ-GOSISDBHSA-N 1 0 309.413 3.014 50 0 DGAARO CCCOc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000027579759 431690198 /nfs/dbraw/zinc/69/01/98/431690198.db2.gz ABRJEMCQUVBBPN-UHFFFAOYSA-N 1 0 318.461 3.470 50 0 DGAARO COc1ccc(C[NH2+]Cc2cccc(CO)c2)c(Cl)c1OC ZINC000078656925 431692531 /nfs/dbraw/zinc/69/25/31/431692531.db2.gz SRJMIQAAZNCMPB-UHFFFAOYSA-N 1 0 321.804 3.139 50 0 DGAARO c1cc(C[NH+]2CCCCC2)cc(-c2noc(-c3cnccn3)n2)c1 ZINC000078774534 431708568 /nfs/dbraw/zinc/70/85/68/431708568.db2.gz SWFRXQBGSZXYTC-UHFFFAOYSA-N 1 0 321.384 3.180 50 0 DGAARO Cc1cccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000078394261 431662924 /nfs/dbraw/zinc/66/29/24/431662924.db2.gz UALOUTALCSCHOB-UHFFFAOYSA-N 1 0 309.457 3.187 50 0 DGAARO CCC[N@@H+]1CCCN(C(=O)c2cc(C)nc3ccccc32)CC1 ZINC000078394543 431663313 /nfs/dbraw/zinc/66/33/13/431663313.db2.gz FYAKVZXUTDAOTO-UHFFFAOYSA-N 1 0 311.429 3.101 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC=CCC1 ZINC000029897828 431729922 /nfs/dbraw/zinc/72/99/22/431729922.db2.gz MTRQLZIKACHGSQ-JKSUJKDBSA-N 1 0 302.418 3.279 50 0 DGAARO Cc1ccc2[nH]c(C(=O)NCCC[NH+]3CCC(C)CC3)cc2c1 ZINC000030565065 431742770 /nfs/dbraw/zinc/74/27/70/431742770.db2.gz RBKUMBMEXBQGKC-UHFFFAOYSA-N 1 0 313.445 3.328 50 0 DGAARO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000030668640 431743870 /nfs/dbraw/zinc/74/38/70/431743870.db2.gz PAYWPYFNVNLDDM-UHFFFAOYSA-N 1 0 324.833 3.389 50 0 DGAARO Cc1nc(CC[NH2+]Cc2c[nH]nc2-c2cccs2)cs1 ZINC000030662754 431744571 /nfs/dbraw/zinc/74/45/71/431744571.db2.gz LIJMXPYHHKEYHG-UHFFFAOYSA-N 1 0 304.444 3.235 50 0 DGAARO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)o1 ZINC000030902310 431748539 /nfs/dbraw/zinc/74/85/39/431748539.db2.gz VBRKQIZXGWSQDF-BBRMVZONSA-N 1 0 308.385 3.274 50 0 DGAARO C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCCC[NH+]1CCCC1 ZINC000079390476 431721798 /nfs/dbraw/zinc/72/17/98/431721798.db2.gz PBOGWIRFDUBYOC-OAHLLOKOSA-N 1 0 321.440 3.404 50 0 DGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000032763332 431790471 /nfs/dbraw/zinc/79/04/71/431790471.db2.gz XWKSZKCBEBWLMK-HNNXBMFYSA-N 1 0 318.417 3.454 50 0 DGAARO O=C(Nc1cccc(OCc2cccc(F)c2)c1)[C@H]1CCC[NH2+]1 ZINC000032232118 431773709 /nfs/dbraw/zinc/77/37/09/431773709.db2.gz GTUSBGRJDHDZLL-QGZVFWFLSA-N 1 0 314.360 3.095 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)nc12 ZINC000032511176 431782866 /nfs/dbraw/zinc/78/28/66/431782866.db2.gz MPTQRAIMBWSTCP-HZPDHXFCSA-N 1 0 311.429 3.015 50 0 DGAARO CCc1nccn1CCC[NH2+]CC[C@H](C)CCCC(C)(C)O ZINC000032537329 431783058 /nfs/dbraw/zinc/78/30/58/431783058.db2.gz QORSAQWPOBECGU-MRXNPFEDSA-N 1 0 309.498 3.393 50 0 DGAARO FC(F)(F)c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000044411790 431873422 /nfs/dbraw/zinc/87/34/22/431873422.db2.gz CQOQRRUXNYERPR-VIFPVBQESA-N 1 0 305.731 3.402 50 0 DGAARO COC[C@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000089409932 431864926 /nfs/dbraw/zinc/86/49/26/431864926.db2.gz GVYYTXWDAVHTAW-HKUYNNGSSA-N 1 0 319.445 3.103 50 0 DGAARO CSC[C@@H](CCO)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000089493434 431868139 /nfs/dbraw/zinc/86/81/39/431868139.db2.gz HLODNHMYSIDFBN-GFCCVEGCSA-N 1 0 310.850 3.092 50 0 DGAARO Cc1cc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)s1 ZINC000089582344 431870339 /nfs/dbraw/zinc/87/03/39/431870339.db2.gz NXLSNWPXICPBOX-HIFRSBDPSA-N 1 0 321.490 3.306 50 0 DGAARO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)cn1 ZINC000089616477 431871943 /nfs/dbraw/zinc/87/19/43/431871943.db2.gz DUDUJDYZJDFNNS-KBPBESRZSA-N 1 0 300.406 3.142 50 0 DGAARO COc1ccc(-c2nc(C[N@H+](C)[C@H](CO)C(C)(C)C)co2)cc1 ZINC000089621514 431871976 /nfs/dbraw/zinc/87/19/76/431871976.db2.gz LVHVTCSFQSGOPF-MRXNPFEDSA-N 1 0 318.417 3.189 50 0 DGAARO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3Cl)C2)[nH]n1 ZINC000089599030 431872171 /nfs/dbraw/zinc/87/21/71/431872171.db2.gz PRKSZJHTIRGYNU-DYVFJYSZSA-N 1 0 319.836 3.285 50 0 DGAARO c1ccc(CCOc2ccc3c(c2)O[C@]2(C=C3)CC[NH2+]C2)cc1 ZINC000036141903 431836714 /nfs/dbraw/zinc/83/67/14/431836714.db2.gz JRECODUFRXOTCJ-HXUWFJFHSA-N 1 0 307.393 3.446 50 0 DGAARO CC(C)COC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000036103248 431837735 /nfs/dbraw/zinc/83/77/35/431837735.db2.gz WJOKCDADOSBYHU-SFHVURJKSA-N 1 0 317.429 3.315 50 0 DGAARO Cc1cnc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)s1 ZINC000048053963 431918817 /nfs/dbraw/zinc/91/88/17/431918817.db2.gz JLUNKWASWCOTHN-CYBMUJFWSA-N 1 0 322.409 3.015 50 0 DGAARO CCCc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)sc1C ZINC000048264450 431922478 /nfs/dbraw/zinc/92/24/78/431922478.db2.gz CEDZRSNCOZSLOF-CYBMUJFWSA-N 1 0 306.475 3.223 50 0 DGAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1Cc2ccccc2C1 ZINC000095364297 431923116 /nfs/dbraw/zinc/92/31/16/431923116.db2.gz CAHKLENBLLKQCQ-QGZVFWFLSA-N 1 0 306.409 3.310 50 0 DGAARO Cc1nc(C(C)C)sc1CNC(=O)CCC[NH+]1CCCCC1 ZINC000095363612 431923227 /nfs/dbraw/zinc/92/32/27/431923227.db2.gz ABNWTEJYYGUSFC-UHFFFAOYSA-N 1 0 323.506 3.457 50 0 DGAARO c1nc(CC2CCCC2)[nH]c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000095373624 431924308 /nfs/dbraw/zinc/92/43/08/431924308.db2.gz MYVIHWVPBPWIDQ-GOSISDBHSA-N 1 0 303.450 3.145 50 0 DGAARO c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000095425999 431924868 /nfs/dbraw/zinc/92/48/68/431924868.db2.gz MPVQXOWPHVXIMM-AEFFLSMTSA-N 1 0 314.454 3.379 50 0 DGAARO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000095423167 431925082 /nfs/dbraw/zinc/92/50/82/431925082.db2.gz NSWKLQACMZSEDR-CYBMUJFWSA-N 1 0 301.390 3.051 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 ZINC000095422866 431925204 /nfs/dbraw/zinc/92/52/04/431925204.db2.gz FNPQCDJKTZNANN-PWSUYJOCSA-N 1 0 314.401 3.273 50 0 DGAARO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000095423018 431925269 /nfs/dbraw/zinc/92/52/69/431925269.db2.gz YXIYGIQQOSIHEL-MRXNPFEDSA-N 1 0 314.454 3.317 50 0 DGAARO COc1cc([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)ccc1SC ZINC000089729409 431876591 /nfs/dbraw/zinc/87/65/91/431876591.db2.gz AIHKBARRUJRGPM-JSGCOSHPSA-N 1 0 322.474 3.077 50 0 DGAARO CC(C)(O)CSCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000089761838 431877673 /nfs/dbraw/zinc/87/76/73/431877673.db2.gz DDNJZOGDBXRVNM-UHFFFAOYSA-N 1 0 324.877 3.482 50 0 DGAARO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(C)o2)cc1F ZINC000095423188 431925364 /nfs/dbraw/zinc/92/53/64/431925364.db2.gz 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CC[NH+](CC)CC1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000049075634 431936492 /nfs/dbraw/zinc/93/64/92/431936492.db2.gz IHPMYFLBNBDOQD-UHFFFAOYSA-N 1 0 310.388 3.159 50 0 DGAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1nc(C)ccc1O ZINC000055357822 431979955 /nfs/dbraw/zinc/97/99/55/431979955.db2.gz JEWOAXGDGMAMIG-UHFFFAOYSA-N 1 0 319.474 3.029 50 0 DGAARO C[C@H](c1cccc(-c2nc(N3CCCCC3)n(C)n2)c1)[NH+](C)C ZINC000096148178 431940646 /nfs/dbraw/zinc/94/06/46/431940646.db2.gz KKTBZWZTXDQCBC-CQSZACIVSA-N 1 0 313.449 3.095 50 0 DGAARO Oc1cccc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000096403995 431945526 /nfs/dbraw/zinc/94/55/26/431945526.db2.gz UCKJKCLYGRTODY-LJQANCHMSA-N 1 0 310.441 3.046 50 0 DGAARO CCC[NH+]1CCC(CNC(=O)/C=C\c2ccccc2F)CC1 ZINC000096402605 431945778 /nfs/dbraw/zinc/94/57/78/431945778.db2.gz XUGATMWHQYAUQP-FPLPWBNLSA-N 1 0 304.409 3.077 50 0 DGAARO O=C(NCc1cccs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050026169 431946011 /nfs/dbraw/zinc/94/60/11/431946011.db2.gz SVHZHJMMPMFSTH-MRXNPFEDSA-N 1 0 314.454 3.277 50 0 DGAARO COc1cccc(C[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)c1 ZINC000096424620 431947055 /nfs/dbraw/zinc/94/70/55/431947055.db2.gz YFRSHYZOFRBFGA-LJQANCHMSA-N 1 0 312.413 3.271 50 0 DGAARO FC(F)(F)c1c[nH]c(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000096424540 431947761 /nfs/dbraw/zinc/94/77/61/431947761.db2.gz POCHYZUORUQPGH-UHFFFAOYSA-N 1 0 310.323 3.203 50 0 DGAARO Clc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000096429828 431947994 /nfs/dbraw/zinc/94/79/94/431947994.db2.gz PIZYZEVXVIWCNM-UHFFFAOYSA-N 1 0 302.809 3.207 50 0 DGAARO CC(C)[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CCOCC1 ZINC000096443443 431950369 /nfs/dbraw/zinc/95/03/69/431950369.db2.gz WRPDSZPTSCSMTF-UHFFFAOYSA-N 1 0 317.408 3.401 50 0 DGAARO Cn1c(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)nc2ccccc21 ZINC000096447537 431950613 /nfs/dbraw/zinc/95/06/13/431950613.db2.gz CJTQCXZRSJKVRQ-VQIMIIECSA-N 1 0 307.397 3.193 50 0 DGAARO COc1cc(OC)c(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1F ZINC000096461594 431951284 /nfs/dbraw/zinc/95/12/84/431951284.db2.gz 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COc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000053021613 431959582 /nfs/dbraw/zinc/95/95/82/431959582.db2.gz AQBOICQBLRHHOK-UHFFFAOYSA-N 1 0 300.377 3.157 50 0 DGAARO COCCOC[C@@H]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000097085974 431960408 /nfs/dbraw/zinc/96/04/08/431960408.db2.gz POQYNAHPHGLEEG-MRXNPFEDSA-N 1 0 314.429 3.341 50 0 DGAARO c1sc(CC[NH2+][C@H]2CCCSC2)nc1-c1ccccn1 ZINC000097084615 431960450 /nfs/dbraw/zinc/96/04/50/431960450.db2.gz RAGZXDIEWWBCJW-LBPRGKRZSA-N 1 0 305.472 3.233 50 0 DGAARO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCCCc2ccccc2)on1 ZINC000053082567 431960570 /nfs/dbraw/zinc/96/05/70/431960570.db2.gz AGXVDZHWVSRNRJ-OAHLLOKOSA-N 1 0 315.417 3.265 50 0 DGAARO O=c1cc(C[N@H+](Cc2ccco2)C2CCCC2)nc2ccccn12 ZINC000053140278 431960889 /nfs/dbraw/zinc/96/08/89/431960889.db2.gz XBVXJJXHRIALDA-UHFFFAOYSA-N 1 0 323.396 3.232 50 0 DGAARO Cn1cc(CN[C@@H]2CC[C@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000097106909 431961289 /nfs/dbraw/zinc/96/12/89/431961289.db2.gz FNVGDSFFIAXCEL-SJORKVTESA-N 1 0 304.482 3.040 50 0 DGAARO CCCOc1ccc(C[NH2+]Cc2c(C)n[nH]c2C)cc1OC ZINC000097159172 431963117 /nfs/dbraw/zinc/96/31/17/431963117.db2.gz YIICGTOPTZZOKY-UHFFFAOYSA-N 1 0 303.406 3.114 50 0 DGAARO Cc1csc(CC[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)n1 ZINC000097159569 431963302 /nfs/dbraw/zinc/96/33/02/431963302.db2.gz BFRJWBQNUNDCNQ-UHFFFAOYSA-N 1 0 302.403 3.075 50 0 DGAARO CCc1ccc(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)s1 ZINC000097212269 431964948 /nfs/dbraw/zinc/96/49/48/431964948.db2.gz LFJXPXFXJNVIGG-GOSISDBHSA-N 1 0 316.470 3.404 50 0 DGAARO Cc1ccc2[nH]c3c(ncn(CC[N@H+]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000005152209 281037763 /nfs/dbraw/zinc/03/77/63/281037763.db2.gz ZEXRTZGYBKEBEQ-AWEZNQCLSA-N 1 0 324.428 3.061 50 0 DGAARO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(Br)o1 ZINC000191515360 432273311 /nfs/dbraw/zinc/27/33/11/432273311.db2.gz LNIHLKGQTBWNRP-ONGXEEELSA-N 1 0 314.179 3.237 50 0 DGAARO O=C(Nc1ccccc1Cl)N1CCC([NH+]2CC=CC2)CC1 ZINC000102681351 431996733 /nfs/dbraw/zinc/99/67/33/431996733.db2.gz VBDWXAFINRLIFN-UHFFFAOYSA-N 1 0 305.809 3.208 50 0 DGAARO c1cn(CCC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cn1 ZINC000183189587 432267355 /nfs/dbraw/zinc/26/73/55/432267355.db2.gz KHPDVYQBZWMKKE-UHFFFAOYSA-N 1 0 309.417 3.029 50 0 DGAARO CCc1nc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)cs1 ZINC000192442196 432374585 /nfs/dbraw/zinc/37/45/85/432374585.db2.gz NPAKQPCNROJCGL-ZDUSSCGKSA-N 1 0 302.443 3.361 50 0 DGAARO CCCN(CCC[NH+](C)C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000252481755 432377373 /nfs/dbraw/zinc/37/73/73/432377373.db2.gz CRIKCWUOSCTYQN-UHFFFAOYSA-N 1 0 305.397 3.111 50 0 DGAARO CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1SC ZINC000252486943 432377939 /nfs/dbraw/zinc/37/79/39/432377939.db2.gz PJYMOCNCQGEEPS-CYBJUQQLSA-N 1 0 303.537 3.330 50 0 DGAARO CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1SC ZINC000252486944 432378949 /nfs/dbraw/zinc/37/89/49/432378949.db2.gz PJYMOCNCQGEEPS-IDJSLIICSA-N 1 0 303.537 3.330 50 0 DGAARO Cc1ccc2nc(C[N@@H+](C)[C@H](C)Cc3ncccc3C)cn2c1 ZINC000252500537 432381083 /nfs/dbraw/zinc/38/10/83/432381083.db2.gz SXJKEKMXKIWKEF-MRXNPFEDSA-N 1 0 308.429 3.409 50 0 DGAARO [NH3+][C@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1cccc(Cl)c1 ZINC000252587648 432382508 /nfs/dbraw/zinc/38/25/08/432382508.db2.gz ZPKJQJGUPJQUGY-IMJJTQAJSA-N 1 0 318.779 3.151 50 0 DGAARO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000252516338 432383546 /nfs/dbraw/zinc/38/35/46/432383546.db2.gz SCXSFUMYDBEPIL-VQHPVUNQSA-N 1 0 307.482 3.223 50 0 DGAARO O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000252678324 432385561 /nfs/dbraw/zinc/38/55/61/432385561.db2.gz DWBZEGVESZUINF-XUVXKRRUSA-N 1 0 320.436 3.323 50 0 DGAARO CCc1[nH+]c2ccccc2c(N2CCC(C(=O)NC)CC2)c1C ZINC000253419914 432391811 /nfs/dbraw/zinc/39/18/11/432391811.db2.gz MZMNIVKHAAUDSN-UHFFFAOYSA-N 1 0 311.429 3.068 50 0 DGAARO Cn1ncnc1C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253416749 432395562 /nfs/dbraw/zinc/39/55/62/432395562.db2.gz PHPDGFUUOQYDAC-UONOGXRCSA-N 1 0 324.350 3.260 50 0 DGAARO CSc1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1C ZINC000253426211 432396020 /nfs/dbraw/zinc/39/60/20/432396020.db2.gz NVXOILWODNTFGG-ZFWWWQNUSA-N 1 0 319.474 3.275 50 0 DGAARO Cc1cc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000253429714 432396920 /nfs/dbraw/zinc/39/69/20/432396920.db2.gz IDZCRWBLIXYDHZ-GOSISDBHSA-N 1 0 300.377 3.479 50 0 DGAARO FC(F)c1ccc(C[C@H]2CC[N@H+](CCC3OCCO3)C2)cc1 ZINC000253430554 432397085 /nfs/dbraw/zinc/39/70/85/432397085.db2.gz JUJPSIQOFTZQTR-CQSZACIVSA-N 1 0 311.372 3.252 50 0 DGAARO COc1ccc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cncn2)cc1Cl ZINC000253606005 432400532 /nfs/dbraw/zinc/40/05/32/432400532.db2.gz HQXBMVLBOWDKEP-OCCSQVGLSA-N 1 0 320.824 3.166 50 0 DGAARO Cc1nn(C)c(C)c1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193073358 432446070 /nfs/dbraw/zinc/44/60/70/432446070.db2.gz HKXMAVQIRFSGOV-UHFFFAOYSA-N 1 0 302.403 3.043 50 0 DGAARO COC(=O)N1CCC([NH2+]C2CC(c3cccc(C)c3)C2)CC1 ZINC000154129097 432475504 /nfs/dbraw/zinc/47/55/04/432475504.db2.gz WFAXZJOZPHKOAT-UHFFFAOYSA-N 1 0 302.418 3.061 50 0 DGAARO COc1cccc2c1CC[N@H+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000194570818 432561401 /nfs/dbraw/zinc/56/14/01/432561401.db2.gz SPALAUQXVYLQCZ-UHFFFAOYSA-N 1 0 307.397 3.172 50 0 DGAARO COc1ccc(-n2cccn2)c(C[N@H+](C)Cc2ccc(C)o2)c1 ZINC000215276365 432642204 /nfs/dbraw/zinc/64/22/04/432642204.db2.gz VNZLGADJDXVNIJ-UHFFFAOYSA-N 1 0 311.385 3.414 50 0 DGAARO Cc1ncccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000215830434 432645765 /nfs/dbraw/zinc/64/57/65/432645765.db2.gz LSIQNUUCWSIWID-IBGZPJMESA-N 1 0 323.440 3.347 50 0 DGAARO COC[C@@H]1CC[N@H+](Cc2nc3ccccc3n2CC(C)C)C1 ZINC000215665608 432645778 /nfs/dbraw/zinc/64/57/78/432645778.db2.gz WAWCUJNOTDIPLO-OAHLLOKOSA-N 1 0 301.434 3.161 50 0 DGAARO Cn1cc(C[N@H+](C)CCC[C@H]2CCCO2)c(-c2ccccc2)n1 ZINC000216058769 432646438 /nfs/dbraw/zinc/64/64/38/432646438.db2.gz VVNGNWJETYDPNC-SFHVURJKSA-N 1 0 313.445 3.478 50 0 DGAARO C[N@H+](Cc1cnn(-c2cccc(F)c2)c1)[C@H]1CCOC(C)(C)C1 ZINC000216101540 432646703 /nfs/dbraw/zinc/64/67/03/432646703.db2.gz DNRSPONCXFTKQC-KRWDZBQOSA-N 1 0 317.408 3.401 50 0 DGAARO C[C@@H](C[N@@H+]1CCCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000216268114 432650812 /nfs/dbraw/zinc/65/08/12/432650812.db2.gz RRJLGAGJLDHJEL-SFHVURJKSA-N 1 0 309.457 3.393 50 0 DGAARO CC[C@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1ccncc1 ZINC000218807823 432660286 /nfs/dbraw/zinc/66/02/86/432660286.db2.gz PIWHKLWTVOGQFJ-INIZCTEOSA-N 1 0 301.434 3.058 50 0 DGAARO Cc1cc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)c(C)o1 ZINC000221396877 432667281 /nfs/dbraw/zinc/66/72/81/432667281.db2.gz XGQJGRJCKSWKOC-QGZVFWFLSA-N 1 0 309.369 3.264 50 0 DGAARO C[C@H]([NH2+]C[C@@](C)(O)c1cnn(C)c1)c1cc2ccccc2s1 ZINC000225473335 432692378 /nfs/dbraw/zinc/69/23/78/432692378.db2.gz XGAZMWJAGKNAPJ-YVEFUNNKSA-N 1 0 315.442 3.193 50 0 DGAARO Cc1csc(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000225567322 432694376 /nfs/dbraw/zinc/69/43/76/432694376.db2.gz DDURZXLPHYKYBC-AWEZNQCLSA-N 1 0 324.515 3.004 50 0 DGAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188409440 432723975 /nfs/dbraw/zinc/72/39/75/432723975.db2.gz OGOWBORSPNYYBX-LJQANCHMSA-N 1 0 321.428 3.042 50 0 DGAARO FC(F)n1ccnc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000178047486 432688624 /nfs/dbraw/zinc/68/86/24/432688624.db2.gz KESIVGTXBQOKBW-AWEZNQCLSA-N 1 0 306.360 3.355 50 0 DGAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)C1 ZINC000178582622 432755508 /nfs/dbraw/zinc/75/55/08/432755508.db2.gz OAKSZXGGEKHLMB-LBPRGKRZSA-N 1 0 322.836 3.082 50 0 DGAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000261977489 292669949 /nfs/dbraw/zinc/66/99/49/292669949.db2.gz VLCDYKHJDKDCOO-LZLYRXPVSA-N 1 0 312.457 3.089 50 0 DGAARO COc1cnccc1[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000188769213 432746009 /nfs/dbraw/zinc/74/60/09/432746009.db2.gz MFURIWNOQRAOAR-HNNXBMFYSA-N 1 0 311.429 3.410 50 0 DGAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1 ZINC000241644173 432817502 /nfs/dbraw/zinc/81/75/02/432817502.db2.gz POWYUWMKRVMWIP-CRAIPNDOSA-N 1 0 324.428 3.114 50 0 DGAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1cccc(F)c1 ZINC000244701282 432822865 /nfs/dbraw/zinc/82/28/65/432822865.db2.gz KDGRVQRCHRPFML-QGZVFWFLSA-N 1 0 313.376 3.386 50 0 DGAARO O=C(CC[N@H+]1CC[C@@H]1c1ccc(F)cc1)NCc1cccs1 ZINC000244742106 432822917 /nfs/dbraw/zinc/82/29/17/432822917.db2.gz OCAGMJAHHZYNNQ-MRXNPFEDSA-N 1 0 318.417 3.341 50 0 DGAARO CCCN(C(=O)c1ccc(-c2ccccc2F)o1)[C@H]1CC[NH2+]C1 ZINC000178889686 432786386 /nfs/dbraw/zinc/78/63/86/432786386.db2.gz UMQXPYVURLEMAG-ZDUSSCGKSA-N 1 0 316.376 3.300 50 0 DGAARO CO[C@]12CC[N@H+](Cc3ccc4ccccc4c3)[C@H]1C[C@@H](O)CC2 ZINC000299792761 433388536 /nfs/dbraw/zinc/38/85/36/433388536.db2.gz GQKAAOGREKZGCC-SLFFLAALSA-N 1 0 311.425 3.344 50 0 DGAARO Cc1cc(-c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)ccn1 ZINC000426361148 433472012 /nfs/dbraw/zinc/47/20/12/433472012.db2.gz CIAHBBRWMZBZCC-UHFFFAOYSA-N 1 0 323.440 3.223 50 0 DGAARO C[C@H](c1cccc(-c2nc(N(C)C)ns2)c1)[NH+]1CCCC1 ZINC000426537737 433528669 /nfs/dbraw/zinc/52/86/69/433528669.db2.gz SFWXKUPIZWKMJK-GFCCVEGCSA-N 1 0 302.447 3.428 50 0 DGAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(Cl)c[nH]1 ZINC000426739111 433579321 /nfs/dbraw/zinc/57/93/21/433579321.db2.gz VQWFITJCHLHSOF-GFCCVEGCSA-N 1 0 323.849 3.124 50 0 DGAARO Cc1c([C@H](C)[NH2+]Cc2cnc3n2CCCC3)cnn1C(C)C ZINC000367437798 293072196 /nfs/dbraw/zinc/07/21/96/293072196.db2.gz JQXFBWSDBZFSHE-ZDUSSCGKSA-N 1 0 301.438 3.156 50 0 DGAARO CC[N@H+](Cc1nc(CCC(C)C)no1)[C@@H]1CCOC(C)(C)C1 ZINC000351924827 433792406 /nfs/dbraw/zinc/79/24/06/433792406.db2.gz ISTNONPLGPPJGJ-CQSZACIVSA-N 1 0 309.454 3.438 50 0 DGAARO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000284161856 433848952 /nfs/dbraw/zinc/84/89/52/433848952.db2.gz QFHRTHPNKMUMHC-AEFFLSMTSA-N 1 0 323.502 3.497 50 0 DGAARO COc1cc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c(F)cn1 ZINC000287631386 434416688 /nfs/dbraw/zinc/41/66/88/434416688.db2.gz KJZYSEVHGCHHCP-ZFWWWQNUSA-N 1 0 318.392 3.046 50 0 DGAARO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000408519212 434584374 /nfs/dbraw/zinc/58/43/74/434584374.db2.gz SOUDLPMMZBLNAH-IJEWVQPXSA-N 1 0 318.461 3.090 50 0 DGAARO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657975227 436349228 /nfs/dbraw/zinc/34/92/28/436349228.db2.gz YCMOAHLYSQMDRJ-FPMFFAJLSA-N 1 0 306.431 3.141 50 0 DGAARO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000284161859 302125578 /nfs/dbraw/zinc/12/55/78/302125578.db2.gz QFHRTHPNKMUMHC-FUHWJXTLSA-N 1 0 323.502 3.497 50 0 DGAARO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)C3CC(F)(F)C3)n2)c1 ZINC000529555311 313226157 /nfs/dbraw/zinc/22/61/57/313226157.db2.gz OCAPPDJTVXWDES-QWRGUYRKSA-N 1 0 321.375 3.260 50 0 DGAARO c1sc(-c2ccncc2)nc1CC[NH2+][C@@H]1CCCSC1 ZINC000534582798 334289856 /nfs/dbraw/zinc/28/98/56/334289856.db2.gz QHALKHLQECFYLA-CYBMUJFWSA-N 1 0 305.472 3.233 50 0 DGAARO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2cccc(SC)c2)C1 ZINC000534586783 334292418 /nfs/dbraw/zinc/29/24/18/334292418.db2.gz LARIFUAQBXQJNR-OAHLLOKOSA-N 1 0 321.490 3.034 50 0 DGAARO C[NH+](C)CC[C@H](NC1CSCCSC1)c1ccccc1 ZINC000534590665 334293970 /nfs/dbraw/zinc/29/39/70/334293970.db2.gz PWESACWLESCFHU-INIZCTEOSA-N 1 0 310.532 3.118 50 0 DGAARO CC[C@H](C(=O)NC1(Cc2ccc(Cl)cc2)CC1)[N@H+](C)CC ZINC000534670937 334320237 /nfs/dbraw/zinc/32/02/37/334320237.db2.gz BYMDXSNEJSCZEG-OAHLLOKOSA-N 1 0 308.853 3.262 50 0 DGAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)on1 ZINC000097111485 500961834 /nfs/dbraw/zinc/96/18/34/500961834.db2.gz GJWARTSQRLJHDZ-BDAKNGLRSA-N 1 0 313.810 3.376 50 0 DGAARO CC[C@@H]([NH2+]C1CCN(c2ccc(Cl)cc2)CC1)[C@H]1C[C@H](O)C1 ZINC000244787713 522813615 /nfs/dbraw/zinc/81/36/15/522813615.db2.gz QCETYZDVZITRCT-FSPWUOQZSA-N 1 0 322.880 3.448 50 0 DGAARO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccccc1N(C)C ZINC000090779785 545830616 /nfs/dbraw/zinc/83/06/16/545830616.db2.gz QKTAFNYVPHBCRC-FOIQADDNSA-N 1 0 310.441 3.237 50 0 DGAARO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1nc2cc(Cl)ccc2n1C ZINC000091281825 545834573 /nfs/dbraw/zinc/83/45/73/545834573.db2.gz HMLJDISJCQPMRC-IINYFYTJSA-N 1 0 319.792 3.204 50 0 DGAARO COC1(C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CCOCC1 ZINC000170073296 546099788 /nfs/dbraw/zinc/09/97/88/546099788.db2.gz KLNOFOUUJNHNAM-MRXNPFEDSA-N 1 0 313.388 3.447 50 0 DGAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000215144087 546261727 /nfs/dbraw/zinc/26/17/27/546261727.db2.gz UGLSTKKPKWXCIE-UHFFFAOYSA-N 1 0 323.444 3.195 50 0 DGAARO CSc1ccccc1C(=O)NCCC12CCC[NH+]1CCC2 ZINC000220553104 546264351 /nfs/dbraw/zinc/26/43/51/546264351.db2.gz HPDQCLRIHOFMKC-UHFFFAOYSA-N 1 0 304.459 3.157 50 0 DGAARO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1C(F)F ZINC000299761596 546434584 /nfs/dbraw/zinc/43/45/84/546434584.db2.gz LQDUMCQFPLDITG-ZDUSSCGKSA-N 1 0 313.392 3.042 50 0 DGAARO CN(C(=O)C[NH+]1CCCCCC1)[C@@H]1CCCc2ccccc21 ZINC000302750362 546436948 /nfs/dbraw/zinc/43/69/48/546436948.db2.gz WGURVMATKWOCOF-GOSISDBHSA-N 1 0 300.446 3.398 50 0 DGAARO OC[C@@H]1C[N@H+](Cc2scnc2C2CC2)C[C@H]1c1ccsc1 ZINC000349034280 546596504 /nfs/dbraw/zinc/59/65/04/546596504.db2.gz NUZDZZFGEYYWBX-KBPBESRZSA-N 1 0 320.483 3.290 50 0 DGAARO C[C@H]1C[C@H](C[NH+]2CCC3(CC2)OCCc2ccsc23)CCO1 ZINC000353153606 546658928 /nfs/dbraw/zinc/65/89/28/546658928.db2.gz QHZDBTMEJVNKRE-LSDHHAIUSA-N 1 0 321.486 3.427 50 0 DGAARO C[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)[C@@H](c1ccccc1)N(C)C ZINC000585117471 547025350 /nfs/dbraw/zinc/02/53/50/547025350.db2.gz FHGZYMTXZYBSNZ-UGSOOPFHSA-N 1 0 324.428 3.050 50 0 DGAARO CC(C)c1csc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]cn3)C2)n1 ZINC000670460392 547758059 /nfs/dbraw/zinc/75/80/59/547758059.db2.gz JAWGYHWXHBIOBM-LBPRGKRZSA-N 1 0 318.446 3.142 50 0 DGAARO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000670467498 547758230 /nfs/dbraw/zinc/75/82/30/547758230.db2.gz UNMAFVLTLIUTCW-GFCCVEGCSA-N 1 0 302.340 3.083 50 0 DGAARO c1coc(CN2CCC([N@@H+]3CCOc4ccccc4C3)CC2)c1 ZINC000670470624 547759029 /nfs/dbraw/zinc/75/90/29/547759029.db2.gz MZBUPNGZKWPLKO-UHFFFAOYSA-N 1 0 312.413 3.139 50 0 DGAARO CC(C)(C)OC(=O)N[C@H](C(N)=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC000685944149 549810427 /nfs/dbraw/zinc/81/04/27/549810427.db2.gz RPJSOIJNPYUHJI-JTQLQIEISA-N 1 0 317.311 3.207 50 0 DGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000239654030 563880363 /nfs/dbraw/zinc/88/03/63/563880363.db2.gz BMINBGWQPLHNML-BZPMIXESSA-N 1 0 309.841 3.146 50 0 DGAARO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCCCCC1 ZINC000170048079 563903054 /nfs/dbraw/zinc/90/30/54/563903054.db2.gz NRMSQHXEPNMGFK-JKSUJKDBSA-N 1 0 304.409 3.097 50 0 DGAARO CC(=O)N(C[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034740210 563961934 /nfs/dbraw/zinc/96/19/34/563961934.db2.gz PWUCUXOGOVBUAZ-PKOBYXMFSA-N 1 0 300.446 3.171 50 0 DGAARO CC(C)(C)OC(=O)CC[C@H]1CCCCN1Cc1csnn1 ZINC000585088812 576000835 /nfs/dbraw/zinc/00/08/35/576000835.db2.gz NSNCBHKEOXDMSK-CYBMUJFWSA-N 1 0 311.451 3.015 50 0 DGAARO CN(C)C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000888099037 618625733 /nfs/dbraw/zinc/62/57/33/618625733.db2.gz SWNLTHZAVCUFRP-WOJBJXKFSA-N 1 0 312.457 3.045 50 0 DGAARO c1ncc(-c2cccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2)o1 ZINC000848542211 620508588 /nfs/dbraw/zinc/50/85/88/620508588.db2.gz GKMBIFBYUHAFPI-QGZVFWFLSA-N 1 0 313.401 3.007 50 0 DGAARO Cn1cc(C[NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 ZINC000113355762 620905440 /nfs/dbraw/zinc/90/54/40/620905440.db2.gz KTBDGMQFIRUIBB-UHFFFAOYSA-N 1 0 317.396 3.253 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)C1(Br)CC1 ZINC000863983980 621724676 /nfs/dbraw/zinc/72/46/76/621724676.db2.gz PFEXKOWZMOTDCC-NSHDSACASA-N 1 0 322.250 3.250 50 0 DGAARO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCCNc2ccccc2)cn1 ZINC000863983887 621724804 /nfs/dbraw/zinc/72/48/04/621724804.db2.gz MJYFKPJWKUUGAV-IEBWSBKVSA-N 1 0 312.461 3.223 50 0 DGAARO CCN(CC)c1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cn1 ZINC000102423611 623566213 /nfs/dbraw/zinc/56/62/13/623566213.db2.gz 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/nfs/dbraw/zinc/50/27/01/660502701.db2.gz OLDTWTHZVGIJCX-KRWDZBQOSA-N 1 0 310.441 3.448 50 0 DGAARO c1ccc(N[C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)cc1 ZINC000012442439 660505722 /nfs/dbraw/zinc/50/57/22/660505722.db2.gz IMJXHXAZBXDRJX-INIZCTEOSA-N 1 0 308.385 3.299 50 0 DGAARO CN(Cc1ccccc1)c1ncccc1C[NH2+]Cc1cccnc1 ZINC000012307519 660527537 /nfs/dbraw/zinc/52/75/37/660527537.db2.gz BRVWXYIBNKLUNQ-UHFFFAOYSA-N 1 0 318.424 3.403 50 0 DGAARO COc1ccccc1Oc1ncccc1C[NH2+]C[C@@H]1CCOC1 ZINC000012320601 660529405 /nfs/dbraw/zinc/52/94/05/660529405.db2.gz MWKKRODBNONJND-AWEZNQCLSA-N 1 0 314.385 3.009 50 0 DGAARO c1ccc(CCCN2CCC[C@@H]([NH2+]Cc3cccnc3)C2)cc1 ZINC000022853473 655755405 /nfs/dbraw/zinc/75/54/05/655755405.db2.gz WISSSJKQDXQLEY-HXUWFJFHSA-N 1 0 309.457 3.268 50 0 DGAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)/C=C\c2ccccc2)C1 ZINC000098007753 657721924 /nfs/dbraw/zinc/72/19/24/657721924.db2.gz NNVJUKVKNOTNSW-WFTPILKQSA-N 1 0 300.446 3.328 50 0 DGAARO CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000183575487 660124866 /nfs/dbraw/zinc/12/48/66/660124866.db2.gz PRSUQJUZQUEJPI-JTQLQIEISA-N 1 0 308.369 3.471 50 0 DGAARO COc1ccc(-c2cccc3cccnc32)cc1C[C@@H](C[NH3+])CO ZINC000935616686 661797063 /nfs/dbraw/zinc/79/70/63/661797063.db2.gz GGLKKCLMNDLWJC-AWEZNQCLSA-N 1 0 322.408 3.020 50 0 DGAARO Cc1nc2cc(C[NH2+]Cc3cc(CC(C)C)n[nH]3)ccc2n1C ZINC000952979697 662209847 /nfs/dbraw/zinc/20/98/47/662209847.db2.gz RFPXCGMHULJNCD-UHFFFAOYSA-N 1 0 311.433 3.093 50 0 DGAARO Cc1n[nH]c(C[NH2+][C@@H]2CCCN(Cc3cccs3)C2)c1Cl ZINC000952978556 662209998 /nfs/dbraw/zinc/20/99/98/662209998.db2.gz RRGULKBKFDOXIV-GFCCVEGCSA-N 1 0 324.881 3.187 50 0 DGAARO Cc1sc2ccccc2c1C[NH2+]CCN1CCC[C@H](CO)C1 ZINC000952984795 662210082 /nfs/dbraw/zinc/21/00/82/662210082.db2.gz AVGZEMQJGAUKJR-HNNXBMFYSA-N 1 0 318.486 3.004 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(Cl)c1)C1=CCCCC1 ZINC000952985439 662210273 /nfs/dbraw/zinc/21/02/73/662210273.db2.gz SMXFHTBSOJJAFJ-LBPRGKRZSA-N 1 0 322.836 3.183 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1ccnn1-c1ccccc1 ZINC000952988782 662210479 /nfs/dbraw/zinc/21/04/79/662210479.db2.gz SDTDMMQDDUTGPU-QGZVFWFLSA-N 1 0 312.461 3.179 50 0 DGAARO CC(C)n1nccc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952992171 662210579 /nfs/dbraw/zinc/21/05/79/662210579.db2.gz XZOKDYZAGNOWAL-UHFFFAOYSA-N 1 0 312.417 3.312 50 0 DGAARO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000952989371 662210648 /nfs/dbraw/zinc/21/06/48/662210648.db2.gz QGUCYYXHFANERF-KRWDZBQOSA-N 1 0 322.408 3.111 50 0 DGAARO CN(Cc1nccs1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000093792513 662360010 /nfs/dbraw/zinc/36/00/10/662360010.db2.gz FKUCUFQWVLEXRA-MRXNPFEDSA-N 1 0 318.442 3.333 50 0 DGAARO CCC(=O)N(CC)c1cc(C)ccc1O[C@@]12CC[N@H+](C1)CCC2 ZINC000067821298 685057261 /nfs/dbraw/zinc/05/72/61/685057261.db2.gz HEGNRBXMXURACY-IBGZPJMESA-N 1 0 316.445 3.375 50 0 DGAARO c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000072162039 685059169 /nfs/dbraw/zinc/05/91/69/685059169.db2.gz VFYSFMCEPYOERK-SFHVURJKSA-N 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CCc1cnc(C)nc1NC[C@H](c1ccco1)[NH+](CC)CC ZINC001529158803 1187537562 /nfs/dbraw/zinc/53/75/62/1187537562.db2.gz MMOYNGQELBQKBT-OAHLLOKOSA-N 1 0 302.422 3.435 50 0 DGAARO C[N@H+](CC[C@@H]1CCCCO1)CC(=O)NC1CCCCCCC1 ZINC001529179517 1187539443 /nfs/dbraw/zinc/53/94/43/1187539443.db2.gz BTALZHSOHVDOEL-KRWDZBQOSA-N 1 0 310.482 3.107 50 0 DGAARO Cc1c(F)cccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529187142 1187540317 /nfs/dbraw/zinc/54/03/17/1187540317.db2.gz OPZHTMHWKSNTMM-GEEKYZPCSA-N 1 0 318.436 3.325 50 0 DGAARO Cc1cnn(C2CCCC2)c1NC(=O)C[C@H]1CCCC[N@H+]1C ZINC001529197317 1187541147 /nfs/dbraw/zinc/54/11/47/1187541147.db2.gz OMVKDINBPOOIBW-OAHLLOKOSA-N 1 0 304.438 3.120 50 0 DGAARO N#Cc1ccccc1CN1CCC[N@H+](Cc2cccs2)CC1 ZINC000030210566 1193881869 /nfs/dbraw/zinc/88/18/69/1193881869.db2.gz JFZIOWMRCRTJLD-UHFFFAOYSA-N 1 0 311.454 3.328 50 0 DGAARO Cc1ccc(C)c(C[NH+]2CCC3(CC2)C[C@](C)(O)CCO3)c1 ZINC001704304010 1202519833 /nfs/dbraw/zinc/51/98/33/1202519833.db2.gz DYPPWBQSUITFKN-GOSISDBHSA-N 1 0 303.446 3.199 50 0 DGAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC001704349115 1202522793 /nfs/dbraw/zinc/52/27/93/1202522793.db2.gz QJJABDTYAAOHLQ-MRXNPFEDSA-N 1 0 321.428 3.283 50 0 DGAARO COC[C@@H]1CC[N@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)C1 ZINC001704356194 1202523054 /nfs/dbraw/zinc/52/30/54/1202523054.db2.gz WXCQSHVDTZEECQ-LLVKDONJSA-N 1 0 306.793 3.062 50 0 DGAARO CC[C@H](C(=O)NCc1c(OC)ccc2ccccc21)[N@H+](C)CC ZINC000822555078 1091665152 /nfs/dbraw/zinc/66/51/52/1091665152.db2.gz KJMBUUGCAFBAGJ-QGZVFWFLSA-N 1 0 314.429 3.195 50 0 DGAARO O=C(CCC(F)(F)F)NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000827814656 1091780452 /nfs/dbraw/zinc/78/04/52/1091780452.db2.gz SHTKFDFIBFJZTL-QWHCGFSZSA-N 1 0 306.372 3.100 50 0 DGAARO Cc1c[nH+]c(C2CCC2)n1CCNC(=O)C1(c2ccccc2)CC1 ZINC000575555774 1092050904 /nfs/dbraw/zinc/05/09/04/1092050904.db2.gz RVXRYOLNDAIYRX-UHFFFAOYSA-N 1 0 323.440 3.307 50 0 DGAARO O=C(c1cccs1)N1CC[C@@H]2CN(Cc3ccccc3)[C@@H]2C1 ZINC000581798708 1092274837 /nfs/dbraw/zinc/27/48/37/1092274837.db2.gz VCGUDLXLZWHJKX-HZPDHXFCSA-N 1 0 312.438 3.095 50 0 DGAARO CCN(CC)C(=O)N1CCC(n2c(C)c[nH+]c2C2CC2)CC1 ZINC000581808809 1092279794 /nfs/dbraw/zinc/27/97/94/1092279794.db2.gz OKKSWYVUIURSIF-UHFFFAOYSA-N 1 0 304.438 3.168 50 0 DGAARO CC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(OC)cn1 ZINC000585085421 1094984861 /nfs/dbraw/zinc/98/48/61/1094984861.db2.gz MAWWNWGMCAZGKB-SJLPKXTDSA-N 1 0 314.429 3.297 50 0 DGAARO COc1ccc(F)c(C[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000585085829 1094985127 /nfs/dbraw/zinc/98/51/27/1094985127.db2.gz AILFKSGFPUODLR-LBPRGKRZSA-N 1 0 314.360 3.050 50 0 DGAARO CCc1ccc2occ(C(=O)NC[C@@H]3C[NH+]4CCC3CC4)c2c1 ZINC000585087981 1094991273 /nfs/dbraw/zinc/99/12/73/1094991273.db2.gz FJDWRHDKQYYULE-OAHLLOKOSA-N 1 0 312.413 3.067 50 0 DGAARO C[C@@H]1C[C@@H](N(C)Cc2cnsn2)CC[N@@H+]1Cc1ccccc1 ZINC000585090670 1094996104 /nfs/dbraw/zinc/99/61/04/1094996104.db2.gz NKAGPKKBVMPWLN-PBHICJAKSA-N 1 0 316.474 3.023 50 0 DGAARO C[C@H]1C[C@@H](N(C)Cc2cnsn2)CC[N@@H+]1Cc1ccccc1 ZINC000585090673 1094996542 /nfs/dbraw/zinc/99/65/42/1094996542.db2.gz NKAGPKKBVMPWLN-YOEHRIQHSA-N 1 0 316.474 3.023 50 0 DGAARO C[C@@H](CC(=O)N1CCC(C)([NH+](C)C)CC1)Cc1cccc(F)c1 ZINC000585129129 1095031045 /nfs/dbraw/zinc/03/10/45/1095031045.db2.gz YTUWHUGHTNDSPC-OAHLLOKOSA-N 1 0 320.452 3.337 50 0 DGAARO C[C@@H](C[N@@H+]1CCC[C@H](Cn2ccnc2)C1)n1cnc2ccccc21 ZINC000043135944 1095996899 /nfs/dbraw/zinc/99/68/99/1095996899.db2.gz MZNUFSDPRSYSQX-IRXDYDNUSA-N 1 0 323.444 3.206 50 0 DGAARO CC1(C)CN(C(=O)c2ccccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000952845082 1096778440 /nfs/dbraw/zinc/77/84/40/1096778440.db2.gz XNJXKWODXHESGY-KRWDZBQOSA-N 1 0 316.445 3.207 50 0 DGAARO CC(C)n1nc(Cc2c(Cl)cccc2Cl)nc1CC[NH3+] ZINC000952871959 1096782776 /nfs/dbraw/zinc/78/27/76/1096782776.db2.gz DUEJFUJJLLTGPZ-UHFFFAOYSA-N 1 0 313.232 3.258 50 0 DGAARO C[NH2+][C@@H]1CCCN(C(=O)NCc2cccnc2C)c2ccccc21 ZINC000952876126 1096784250 /nfs/dbraw/zinc/78/42/50/1096784250.db2.gz BDKNGPDXDLIPJP-QGZVFWFLSA-N 1 0 324.428 3.161 50 0 DGAARO Cc1ccoc1C(=O)NCC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000885939182 1104328222 /nfs/dbraw/zinc/32/82/22/1104328222.db2.gz UIJRSEVXAJOGRV-QGZVFWFLSA-N 1 0 316.445 3.386 50 0 DGAARO O=C(NCC[NH+]1CCCC1)Nc1cccc(C(F)(F)F)c1F ZINC000095502665 185374966 /nfs/dbraw/zinc/37/49/66/185374966.db2.gz SHSWZPZIHRCGLQ-UHFFFAOYSA-N 1 0 319.302 3.062 50 0 DGAARO CC(C)[NH+]1CCC(CC(=O)N(C)[C@@H](C)c2cncs2)CC1 ZINC000095507747 185375657 /nfs/dbraw/zinc/37/56/57/185375657.db2.gz CMULMVHWUSRRNX-ZDUSSCGKSA-N 1 0 309.479 3.173 50 0 DGAARO O=C1OC2(CN1Cc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000095530172 185378723 /nfs/dbraw/zinc/37/87/23/185378723.db2.gz JSFJAKBOYOTURF-UHFFFAOYSA-N 1 0 315.200 3.068 50 0 DGAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2ccccn2)C1 ZINC000078916822 185128869 /nfs/dbraw/zinc/12/88/69/185128869.db2.gz JETUIAFHTPIGSK-INIZCTEOSA-N 1 0 317.477 3.031 50 0 DGAARO Cc1ccc(NC(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000079064391 185152060 /nfs/dbraw/zinc/15/20/60/185152060.db2.gz DYTFFNQWRCDKLN-HZPDHXFCSA-N 1 0 319.449 3.006 50 0 DGAARO Cc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000079071213 185153730 /nfs/dbraw/zinc/15/37/30/185153730.db2.gz XHHFHFFPWBLFES-UHFFFAOYSA-N 1 0 314.429 3.111 50 0 DGAARO C[N@H+](CCCNC(=O)/C=C\c1cccs1)Cc1ccccc1 ZINC000096943920 185393569 /nfs/dbraw/zinc/39/35/69/185393569.db2.gz MXMAYLDUGOGNSL-KHPPLWFESA-N 1 0 314.454 3.400 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CN(C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000089977216 185273064 /nfs/dbraw/zinc/27/30/64/185273064.db2.gz PXDWYCSTCDTLFA-KRWDZBQOSA-N 1 0 317.408 3.397 50 0 DGAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000089948964 185270765 /nfs/dbraw/zinc/27/07/65/185270765.db2.gz VZBIYSRSXNVHFT-SMDDNHRTSA-N 1 0 310.825 3.060 50 0 DGAARO OCC[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000090079350 185281033 /nfs/dbraw/zinc/28/10/33/185281033.db2.gz LHUHOJZQQHXHRL-CVEARBPZSA-N 1 0 324.262 3.057 50 0 DGAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000090454409 185297259 /nfs/dbraw/zinc/29/72/59/185297259.db2.gz LUZUOVSQVPIZKZ-CXAGYDPISA-N 1 0 321.428 3.112 50 0 DGAARO CCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1[NH+](C)C ZINC000082096489 192355805 /nfs/dbraw/zinc/35/58/05/192355805.db2.gz XNGLBRRQIKRQDC-IEBWSBKVSA-N 1 0 312.461 3.034 50 0 DGAARO CC(C)Cc1ccc(-c2nccn2[C@@H]2C[C@@H](CO)[N@H+](C)C2)s1 ZINC000082098221 192354582 /nfs/dbraw/zinc/35/45/82/192354582.db2.gz HTGCPHCGNAQAPN-KGLIPLIRSA-N 1 0 319.474 3.048 50 0 DGAARO Cc1ccc2cc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)ccc2n1 ZINC000225462788 201712565 /nfs/dbraw/zinc/71/25/65/201712565.db2.gz IIHVBCDWHZFEDB-OAHLLOKOSA-N 1 0 323.362 3.269 50 0 DGAARO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccnn4C)CC3)c2c1 ZINC000092474536 185320773 /nfs/dbraw/zinc/32/07/73/185320773.db2.gz GKRYWCNXJWEVBU-UHFFFAOYSA-N 1 0 324.428 3.290 50 0 DGAARO Cc1ccccc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082146572 192361710 /nfs/dbraw/zinc/36/17/10/192361710.db2.gz CFQKQKGZBWXTBV-UHFFFAOYSA-N 1 0 321.424 3.394 50 0 DGAARO Cc1ncccc1C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000095394072 185352092 /nfs/dbraw/zinc/35/20/92/185352092.db2.gz QIJCSGRFNBOSAR-UHFFFAOYSA-N 1 0 315.461 3.163 50 0 DGAARO CCOC(=O)CCCC[N@@H+]1CCC[C@@H](c2ncc(C)s2)C1 ZINC000095399815 185354098 /nfs/dbraw/zinc/35/40/98/185354098.db2.gz YXTIIJNRCJDGGO-CQSZACIVSA-N 1 0 310.463 3.364 50 0 DGAARO CSc1ccc(CN(C)C(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000095408286 185356844 /nfs/dbraw/zinc/35/68/44/185356844.db2.gz RZWVOVREVRDLFO-QGZVFWFLSA-N 1 0 314.454 3.109 50 0 DGAARO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ccn1)c1cccnc1 ZINC000095408672 185356861 /nfs/dbraw/zinc/35/68/61/185356861.db2.gz NLWDQRAMJGTJLP-CYBMUJFWSA-N 1 0 310.323 3.210 50 0 DGAARO CC(C)(CCO)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000095415523 185358805 /nfs/dbraw/zinc/35/88/05/185358805.db2.gz ADIHSMZJXOFEDC-UHFFFAOYSA-N 1 0 305.809 3.048 50 0 DGAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000095415533 185358842 /nfs/dbraw/zinc/35/88/42/185358842.db2.gz MURDABJJTHXTMO-NVXWUHKLSA-N 1 0 320.433 3.110 50 0 DGAARO CCc1ccc2occ(C(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)c2c1 ZINC000328593533 529732222 /nfs/dbraw/zinc/73/22/22/529732222.db2.gz FUAGYEHPEWFDBE-LSDHHAIUSA-N 1 0 312.413 3.019 50 0 DGAARO CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1c(C)nn(C)c1C ZINC000095419495 185359906 /nfs/dbraw/zinc/35/99/06/185359906.db2.gz VTTURUCFFDCNND-HNNXBMFYSA-N 1 0 315.417 3.049 50 0 DGAARO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC000095420515 185360162 /nfs/dbraw/zinc/36/01/62/185360162.db2.gz STLKUDJDLBPOJR-NWDGAFQWSA-N 1 0 304.356 3.377 50 0 DGAARO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(-n2cnnn2)cc1 ZINC000095421149 185360368 /nfs/dbraw/zinc/36/03/68/185360368.db2.gz PECKWAPXQZQAJY-SGTLLEGYSA-N 1 0 323.375 3.140 50 0 DGAARO NC(=O)c1csc(C[NH2+]Cc2cc3c(s2)CCCCC3)c1 ZINC000095427529 185362024 /nfs/dbraw/zinc/36/20/24/185362024.db2.gz SFPSKXAMFFKHCY-UHFFFAOYSA-N 1 0 320.483 3.467 50 0 DGAARO Cc1nnc(NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000097002692 185396356 /nfs/dbraw/zinc/39/63/56/185396356.db2.gz OQNBAKFEVFZDOU-HNNXBMFYSA-N 1 0 302.447 3.404 50 0 DGAARO O=C(c1ccccc1F)N1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000095433914 185364025 /nfs/dbraw/zinc/36/40/25/185364025.db2.gz BJDXEZKIUFWKGB-HNNXBMFYSA-N 1 0 316.420 3.376 50 0 DGAARO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CCOCC1 ZINC000095420783 185360523 /nfs/dbraw/zinc/36/05/23/185360523.db2.gz PXOUPPQPYXTBSX-NSHDSACASA-N 1 0 303.324 3.241 50 0 DGAARO Cc1cc(C)nc(NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000097008954 185396768 /nfs/dbraw/zinc/39/67/68/185396768.db2.gz BDGKXRHCXYNLBM-CQSZACIVSA-N 1 0 302.447 3.404 50 0 DGAARO Oc1cccc2c1CC[C@H]2[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000095421931 185360956 /nfs/dbraw/zinc/36/09/56/185360956.db2.gz VWIWOHLYHYZFMD-LJQANCHMSA-N 1 0 323.440 3.029 50 0 DGAARO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000095446905 185367921 /nfs/dbraw/zinc/36/79/21/185367921.db2.gz XSOXYMCLBXLXSF-IINYFYTJSA-N 1 0 309.793 3.227 50 0 DGAARO COC(=O)C1=C(C)O[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000095446906 185367976 /nfs/dbraw/zinc/36/79/76/185367976.db2.gz XSOXYMCLBXLXSF-HZMBPMFUSA-N 1 0 309.793 3.227 50 0 DGAARO O[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccs1 ZINC000097021401 185398591 /nfs/dbraw/zinc/39/85/91/185398591.db2.gz MOYDOARJWIKLOH-NSHDSACASA-N 1 0 317.332 3.312 50 0 DGAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(CC(C)C)s1 ZINC000095468634 185372397 /nfs/dbraw/zinc/37/23/97/185372397.db2.gz QGSLXSGUZBEJMH-LSDHHAIUSA-N 1 0 307.507 3.400 50 0 DGAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000097159202 185416896 /nfs/dbraw/zinc/41/68/96/185416896.db2.gz VNGXKIRNWBCDKP-UHFFFAOYSA-N 1 0 313.323 3.257 50 0 DGAARO CC[NH+]1CCC(CCn2cnc3cc(Cl)ccc3c2=O)CC1 ZINC000032592805 190659666 /nfs/dbraw/zinc/65/96/66/190659666.db2.gz OTVFIYITUKRHFS-UHFFFAOYSA-N 1 0 319.836 3.172 50 0 DGAARO CC(C)c1nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2o1 ZINC000064968363 432009930 /nfs/dbraw/zinc/00/99/30/432009930.db2.gz WVHZZIOEDMLZOR-UHFFFAOYSA-N 1 0 315.417 3.167 50 0 DGAARO CCc1cnc(C)nc1N1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000065457775 432012197 /nfs/dbraw/zinc/01/21/97/432012197.db2.gz LUJYSLAARICRRL-AWEZNQCLSA-N 1 0 302.466 3.048 50 0 DGAARO O=C(c1cc(F)ccc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000069980590 190847310 /nfs/dbraw/zinc/84/73/10/190847310.db2.gz RVLIMPIUPBYNPX-AWEZNQCLSA-N 1 0 308.372 3.055 50 0 DGAARO O=C([C@H]1C[C@H]1c1ccco1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000106832793 432021956 /nfs/dbraw/zinc/02/19/56/432021956.db2.gz VNEOFUMXQMVJTB-MSOLQXFVSA-N 1 0 324.424 3.118 50 0 DGAARO [NH3+][C@H]1CCC[C@@H](C(=O)N(Cc2cccc(Cl)c2)C2CC2)C1 ZINC000071749018 191021314 /nfs/dbraw/zinc/02/13/14/191021314.db2.gz QGMAIFGMMDWXHY-HIFRSBDPSA-N 1 0 306.837 3.349 50 0 DGAARO C[C@H](NC(=O)CC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1)c1ccccc1 ZINC000072138999 191048024 /nfs/dbraw/zinc/04/80/24/191048024.db2.gz WCNOAJCHTVQYLQ-BHNDVYRESA-N 1 0 312.457 3.232 50 0 DGAARO Cc1cccnc1CN1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000072128164 191042886 /nfs/dbraw/zinc/04/28/86/191042886.db2.gz RMTPICQQNQAZOS-SFHVURJKSA-N 1 0 309.457 3.311 50 0 DGAARO CC[N@@H+]1CCC[C@H](c2nccn2-c2cccc(NC(C)=O)c2)C1 ZINC000072143969 191051484 /nfs/dbraw/zinc/05/14/84/191051484.db2.gz DEBSZWOWQNHDIC-HNNXBMFYSA-N 1 0 312.417 3.030 50 0 DGAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCc2sccc2C1 ZINC000072160944 191061712 /nfs/dbraw/zinc/06/17/12/191061712.db2.gz IPRWMTGHKNFEIH-ZDUSSCGKSA-N 1 0 312.438 3.024 50 0 DGAARO COc1cccc(-c2cccc(C(=O)N3CCC[C@H]([NH3+])CC3)c2)c1 ZINC000072159420 191062200 /nfs/dbraw/zinc/06/22/00/191062200.db2.gz FFZBYEZGJVDHLC-SFHVURJKSA-N 1 0 324.424 3.316 50 0 DGAARO Nc1cc[nH+]cc1-c1cc(NCc2cccnc2)nc2[nH]ccc21 ZINC000072161299 191062864 /nfs/dbraw/zinc/06/28/64/191062864.db2.gz YFIFHRUAUGJJAV-UHFFFAOYSA-N 1 0 316.368 3.214 50 0 DGAARO c1c(CN2CCCC[C@H]2c2ccccn2)nnn1-c1ccccc1 ZINC000072173871 191068898 /nfs/dbraw/zinc/06/88/98/191068898.db2.gz QJBHJWITTMOXMR-IBGZPJMESA-N 1 0 319.412 3.390 50 0 DGAARO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000072161131 191062044 /nfs/dbraw/zinc/06/20/44/191062044.db2.gz XWILALXAYDJHSK-MRXNPFEDSA-N 1 0 320.452 3.339 50 0 DGAARO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)C(C)(C)C ZINC000154053820 620635571 /nfs/dbraw/zinc/63/55/71/620635571.db2.gz CNGFFDIAOFLPLT-AWEZNQCLSA-N 1 0 319.445 3.488 50 0 DGAARO CN(c1nc(C(F)F)nc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000072296181 191111568 /nfs/dbraw/zinc/11/15/68/191111568.db2.gz GVESQJCDKYKPRS-LLVKDONJSA-N 1 0 306.360 3.098 50 0 DGAARO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000072299856 191114543 /nfs/dbraw/zinc/11/45/43/191114543.db2.gz XYDAQHZKTBIMSZ-CQSZACIVSA-N 1 0 301.365 3.466 50 0 DGAARO c1cnn(CCC[NH2+]Cc2ccc(Sc3ccccn3)o2)c1 ZINC000225660805 186287731 /nfs/dbraw/zinc/28/77/31/186287731.db2.gz MYOWHRFJOHDXES-UHFFFAOYSA-N 1 0 314.414 3.202 50 0 DGAARO C[C@@H]1C[C@H]1[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000237453750 186291957 /nfs/dbraw/zinc/29/19/57/186291957.db2.gz IIWOWZKZJSOWHK-LYRGGWFBSA-N 1 0 306.837 3.153 50 0 DGAARO Cc1cccc([C@H]2CCC[N@@H+]2CCCO[C@@H]2CCCCO2)n1 ZINC000253392365 186303086 /nfs/dbraw/zinc/30/30/86/186303086.db2.gz HKFDXHPTARZRGT-QZTJIDSGSA-N 1 0 304.434 3.460 50 0 DGAARO O=C(NCC1(Cc2ccccc2)CCC1)C12CCC[NH+]1CCC2 ZINC000253406078 186308016 /nfs/dbraw/zinc/30/80/16/186308016.db2.gz VOZKPZCVPXSRMV-UHFFFAOYSA-N 1 0 312.457 3.144 50 0 DGAARO FC(F)(F)c1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000072328583 191123386 /nfs/dbraw/zinc/12/33/86/191123386.db2.gz ZRTQLQAUYJJJAB-UHFFFAOYSA-N 1 0 311.307 3.298 50 0 DGAARO CC(C)=CCC[N@@H+]1CCN(Cc2ccc(C)cc2)[C@H](CCO)C1 ZINC000106943472 432026786 /nfs/dbraw/zinc/02/67/86/432026786.db2.gz XAAAXFRBOSNQLC-HXUWFJFHSA-N 1 0 316.489 3.220 50 0 DGAARO Cc1cc2nc(C(C)C)cc(NCC[N@@H+]3CCCC[C@H]3C)n2n1 ZINC000072406818 191152899 /nfs/dbraw/zinc/15/28/99/191152899.db2.gz 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182007574 /nfs/dbraw/zinc/00/75/74/182007574.db2.gz SCJIROPEIRRLMN-UHFFFAOYSA-N 1 0 310.397 3.112 50 0 DGAARO Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016580576 182050832 /nfs/dbraw/zinc/05/08/32/182050832.db2.gz QOUMMAMSBDNGTC-UHFFFAOYSA-N 1 0 300.402 3.344 50 0 DGAARO Cc1cccc(O[C@@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000016602608 182051813 /nfs/dbraw/zinc/05/18/13/182051813.db2.gz ICRJPCXKXMIKRC-INIZCTEOSA-N 1 0 318.461 3.060 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000016603941 182052166 /nfs/dbraw/zinc/05/21/66/182052166.db2.gz NNTBYPNWBZNDFP-ZDUSSCGKSA-N 1 0 320.502 3.477 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2cccc(OCC(C)C)c2)CC1 ZINC000016603898 182052436 /nfs/dbraw/zinc/05/24/36/182052436.db2.gz FHRWKFUFFZPTHQ-UHFFFAOYSA-N 1 0 318.461 3.326 50 0 DGAARO CCOc1ccccc1C[NH2+]C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000018099089 182092624 /nfs/dbraw/zinc/09/26/24/182092624.db2.gz DNQFOLNHDMVUHM-MYMYQCDVSA-N 1 0 301.430 3.259 50 0 DGAARO COc1cc(C[NH2+]CCc2cccc(F)c2)cc(OC)c1OC ZINC000019721131 182138330 /nfs/dbraw/zinc/13/83/30/182138330.db2.gz RROGTDFNGGYBSN-UHFFFAOYSA-N 1 0 319.376 3.184 50 0 DGAARO COc1ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000019842132 182155583 /nfs/dbraw/zinc/15/55/83/182155583.db2.gz WDNUMOJIWYDWKU-UHFFFAOYSA-N 1 0 302.462 3.392 50 0 DGAARO CN(C)CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000019872130 182159183 /nfs/dbraw/zinc/15/91/83/182159183.db2.gz HDUNIDRURIBYDU-UHFFFAOYSA-N 1 0 302.393 3.056 50 0 DGAARO C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000019939306 182168035 /nfs/dbraw/zinc/16/80/35/182168035.db2.gz KJSWNXGXCFSPCE-UHFFFAOYSA-N 1 0 318.808 3.056 50 0 DGAARO OCC[C@H]1C[N@@H+](C2CCCCC2)CCN1Cc1ccccc1F ZINC000020406839 182215005 /nfs/dbraw/zinc/21/50/05/182215005.db2.gz RWZKWVBOAZMYJY-SFHVURJKSA-N 1 0 320.452 3.027 50 0 DGAARO CN1CC[NH+](CCCOc2ccc(Cc3ccccc3)cc2)CC1 ZINC000020652727 182241959 /nfs/dbraw/zinc/24/19/59/182241959.db2.gz JUEFSCWCAXKQBV-UHFFFAOYSA-N 1 0 324.468 3.294 50 0 DGAARO O=C(CSc1ccccc1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000020600975 182236223 /nfs/dbraw/zinc/23/62/23/182236223.db2.gz POAQUBAESHEOCB-INIZCTEOSA-N 1 0 318.486 3.113 50 0 DGAARO OCC1(Cc2ccc(Cl)cc2)CC[NH+](C2CCOCC2)CC1 ZINC000020784002 182246665 /nfs/dbraw/zinc/24/66/65/182246665.db2.gz GSKWEDPFDRPEFU-UHFFFAOYSA-N 1 0 323.864 3.136 50 0 DGAARO Cc1cccc(N2C(=O)C[C@H]([NH2+]CCC3=CCCCC3)C2=O)c1 ZINC000020807809 182247685 /nfs/dbraw/zinc/24/76/85/182247685.db2.gz AQQANUXGXYAPAO-KRWDZBQOSA-N 1 0 312.413 3.107 50 0 DGAARO Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000021175327 182268440 /nfs/dbraw/zinc/26/84/40/182268440.db2.gz ZVOFIOAVTWJIFC-HNNXBMFYSA-N 1 0 301.434 3.381 50 0 DGAARO COc1ccc(C[N@H+](C)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1 ZINC000021533914 182278985 /nfs/dbraw/zinc/27/89/85/182278985.db2.gz BTVNDPPYYALXMS-UHFFFAOYSA-N 1 0 322.408 3.477 50 0 DGAARO O[C@H](C[C@@H]1CCC[N@@H+]1CCc1ccncc1)c1cccs1 ZINC000267436419 206065379 /nfs/dbraw/zinc/06/53/79/206065379.db2.gz GDUCWAUBHLUFTJ-JKSUJKDBSA-N 1 0 302.443 3.274 50 0 DGAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)on1 ZINC000022911029 182340127 /nfs/dbraw/zinc/34/01/27/182340127.db2.gz HJQHZBFDYGZXHI-WDEREUQCSA-N 1 0 307.781 3.314 50 0 DGAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)on1 ZINC000022911038 182340328 /nfs/dbraw/zinc/34/03/28/182340328.db2.gz HJQHZBFDYGZXHI-MNOVXSKESA-N 1 0 307.781 3.314 50 0 DGAARO COc1cccc(C[NH+]2CCC(n3cc(C4CC4)nn3)CC2)c1 ZINC000023158318 182352284 /nfs/dbraw/zinc/35/22/84/182352284.db2.gz ZRMHFBYIYHGOGS-UHFFFAOYSA-N 1 0 312.417 3.001 50 0 DGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000023127959 182349219 /nfs/dbraw/zinc/34/92/19/182349219.db2.gz GSYNIEHZCCEEAL-UHFFFAOYSA-N 1 0 304.409 3.210 50 0 DGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1c(F)cccc1F ZINC000023127952 182349499 /nfs/dbraw/zinc/34/94/99/182349499.db2.gz XBOFDAVKMRFTSF-UHFFFAOYSA-N 1 0 322.399 3.349 50 0 DGAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2nccs2)C1 ZINC000023360229 182358617 /nfs/dbraw/zinc/35/86/17/182358617.db2.gz XBVHWMHAODLKLJ-KRWDZBQOSA-N 1 0 315.486 3.282 50 0 DGAARO COc1ccc([C@@H](CNc2ncnc3ccccc32)[NH+](C)C)cc1 ZINC000024340233 182378777 /nfs/dbraw/zinc/37/87/77/182378777.db2.gz CGIUKUZBNGZGHD-GOSISDBHSA-N 1 0 322.412 3.353 50 0 DGAARO C[NH+](C)C[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000024991148 182397517 /nfs/dbraw/zinc/39/75/17/182397517.db2.gz HBBWDFIBTISGQR-INIZCTEOSA-N 1 0 301.365 3.250 50 0 DGAARO Cc1cc(C(=O)NCC[NH+]2CCCCC2)c2cccc(C)c2n1 ZINC000032961533 182685324 /nfs/dbraw/zinc/68/53/24/182685324.db2.gz VOIQYISNNSKUHU-UHFFFAOYSA-N 1 0 311.429 3.067 50 0 DGAARO O=C(C[C@H]1C=CCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000039984933 183026748 /nfs/dbraw/zinc/02/67/48/183026748.db2.gz MHIMPZZGYMWWHV-JKSUJKDBSA-N 1 0 302.418 3.279 50 0 DGAARO C[N@H+](CCCNC(=O)Cc1ccc(F)cc1)Cc1ccccc1 ZINC000040017223 183028018 /nfs/dbraw/zinc/02/80/18/183028018.db2.gz HWKAKEOLQGSUGC-UHFFFAOYSA-N 1 0 314.404 3.007 50 0 DGAARO O=C(NCCC[NH+]1CCCC1)c1ccc(SC(F)F)cc1 ZINC000040039585 183028601 /nfs/dbraw/zinc/02/86/01/183028601.db2.gz FQPFSQGNYCTWOC-UHFFFAOYSA-N 1 0 314.401 3.217 50 0 DGAARO O=C(/C=C/c1ccco1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000040160816 183041124 /nfs/dbraw/zinc/04/11/24/183041124.db2.gz VOJQHFZOBPGTAR-ROJDOSBLSA-N 1 0 314.385 3.229 50 0 DGAARO C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000040464616 183071726 /nfs/dbraw/zinc/07/17/26/183071726.db2.gz PAMVKPQNNLSWGJ-UHFFFAOYSA-N 1 0 318.804 3.424 50 0 DGAARO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000041902242 183224627 /nfs/dbraw/zinc/22/46/27/183224627.db2.gz RKGXUNKAYXUXPA-UHFFFAOYSA-N 1 0 300.427 3.096 50 0 DGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2CCO)cc1 ZINC000104472199 194010124 /nfs/dbraw/zinc/01/01/24/194010124.db2.gz KVPJZXZZWLYVFV-OAQYLSRUSA-N 1 0 324.468 3.064 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2F)C1 ZINC000047416375 183590855 /nfs/dbraw/zinc/59/08/55/183590855.db2.gz QVRMNTSWPAPDJC-CHWSQXEVSA-N 1 0 310.388 3.063 50 0 DGAARO CCc1noc([C@@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000051793691 183836716 /nfs/dbraw/zinc/83/67/16/183836716.db2.gz GYTPDHFXJZIUNR-OAHLLOKOSA-N 1 0 320.481 3.281 50 0 DGAARO COc1cc(C[NH2+][C@@H](C)c2sc(C)nc2C)cc2c1OCO2 ZINC000055173257 183968594 /nfs/dbraw/zinc/96/85/94/183968594.db2.gz OAXRBSXHCHAEOG-VIFPVBQESA-N 1 0 320.414 3.348 50 0 DGAARO CCCN(Cc1cccc(Cl)c1)C(=O)CC1=CC[NH2+]CC1 ZINC000055324808 183979864 /nfs/dbraw/zinc/97/98/64/183979864.db2.gz YHMRHOPEGKBGTL-UHFFFAOYSA-N 1 0 306.837 3.388 50 0 DGAARO Cc1ccc(NC(=O)[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000057024243 184024772 /nfs/dbraw/zinc/02/47/72/184024772.db2.gz NTFKDVRIEMNYBT-OALUTQOASA-N 1 0 324.424 3.443 50 0 DGAARO CCOc1ccc(C[NH2+]C[C@H](O)c2cccc(O)c2)cc1Cl ZINC000057354893 184035250 /nfs/dbraw/zinc/03/52/50/184035250.db2.gz XZVKAMIMITVIMB-INIZCTEOSA-N 1 0 321.804 3.268 50 0 DGAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000058029281 184069613 /nfs/dbraw/zinc/06/96/13/184069613.db2.gz SIOJXURDYXCQRR-ZIFCJYIRSA-N 1 0 314.473 3.483 50 0 DGAARO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NCC(F)(F)F ZINC000058017850 184067797 /nfs/dbraw/zinc/06/77/97/184067797.db2.gz MBDUJWCRMFRWFX-UHFFFAOYSA-N 1 0 322.330 3.044 50 0 DGAARO Cc1ccc(/C=C/C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC000058168959 184083669 /nfs/dbraw/zinc/08/36/69/184083669.db2.gz GGZQLFOEYXHLSG-HBWSCVEGSA-N 1 0 304.434 3.228 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCc2ccccc2)C1 ZINC000058172958 184084389 /nfs/dbraw/zinc/08/43/89/184084389.db2.gz BWFNPYRZAOGDNH-IRXDYDNUSA-N 1 0 316.489 3.492 50 0 DGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC=CCC1 ZINC000058195775 184086442 /nfs/dbraw/zinc/08/64/42/184086442.db2.gz TUADSHGSRJLZLJ-OALUTQOASA-N 1 0 312.457 3.371 50 0 DGAARO COc1c(C)cc(C[NH2+]Cc2cccc(NC(N)=O)c2)cc1C ZINC000058227717 184091054 /nfs/dbraw/zinc/09/10/54/184091054.db2.gz BBWTYVBZINXKRF-UHFFFAOYSA-N 1 0 313.401 3.092 50 0 DGAARO CCn1c(C)cc(C(=O)N(C2CC2)C2CC[NH+](CC)CC2)c1C ZINC000058261682 184095320 /nfs/dbraw/zinc/09/53/20/184095320.db2.gz ULAQCNYVUVRHMD-UHFFFAOYSA-N 1 0 317.477 3.214 50 0 DGAARO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058281908 184099214 /nfs/dbraw/zinc/09/92/14/184099214.db2.gz BXJLVIUMZJRNLC-ZDUSSCGKSA-N 1 0 311.429 3.014 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc(C(F)(F)F)c1 ZINC000058296403 184102597 /nfs/dbraw/zinc/10/25/97/184102597.db2.gz HSQXVJOLVOWATQ-NWDGAFQWSA-N 1 0 324.350 3.294 50 0 DGAARO C/C=C/C=C/C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000058300332 184102958 /nfs/dbraw/zinc/10/29/58/184102958.db2.gz XSJPPONDXRPPDZ-AOGGBPEJSA-N 1 0 304.459 3.209 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000058429248 184117365 /nfs/dbraw/zinc/11/73/65/184117365.db2.gz UDTJBIVUPDEAIP-CQSZACIVSA-N 1 0 321.440 3.306 50 0 DGAARO CC(C)c1noc([C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000059812229 184141180 /nfs/dbraw/zinc/14/11/80/184141180.db2.gz CVELBHRFJIQQKE-CQSZACIVSA-N 1 0 308.470 3.308 50 0 DGAARO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCc2ccccc21 ZINC000060549755 184151806 /nfs/dbraw/zinc/15/18/06/184151806.db2.gz VWFNERMDXBVZBN-UHFFFAOYSA-N 1 0 306.409 3.485 50 0 DGAARO S=C(NC1CCCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000062863099 184257116 /nfs/dbraw/zinc/25/71/16/184257116.db2.gz ZURWFGJWXHFXHX-UHFFFAOYSA-N 1 0 323.550 3.438 50 0 DGAARO CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064448239 184297595 /nfs/dbraw/zinc/29/75/95/184297595.db2.gz BEUOJHVNTAFDPO-UHFFFAOYSA-N 1 0 314.351 3.148 50 0 DGAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]Cc1cccnc1 ZINC000064103216 184292765 /nfs/dbraw/zinc/29/27/65/184292765.db2.gz HKKWYGHIDICDPR-ZDUSSCGKSA-N 1 0 305.385 3.093 50 0 DGAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]Cc1cccnc1 ZINC000064103214 184292790 /nfs/dbraw/zinc/29/27/90/184292790.db2.gz HKKWYGHIDICDPR-CYBMUJFWSA-N 1 0 305.385 3.093 50 0 DGAARO S=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000064892924 184305775 /nfs/dbraw/zinc/30/57/75/184305775.db2.gz ZFWGTHPTTWUWRH-IRXDYDNUSA-N 1 0 315.486 3.089 50 0 DGAARO Cc1oc(C(C)C)nc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000065293481 184323912 /nfs/dbraw/zinc/32/39/12/184323912.db2.gz SYLIECGHASGDJN-UHFFFAOYSA-N 1 0 319.449 3.197 50 0 DGAARO Cc1cccc(NC(=O)C[NH2+][C@@H](C)CCc2ccco2)c1C ZINC000065371624 184330244 /nfs/dbraw/zinc/33/02/44/184330244.db2.gz SIFQEYCWHYOPDE-AWEZNQCLSA-N 1 0 300.402 3.446 50 0 DGAARO C[C@H](CCc1ccccc1)[NH2+]CCc1nc(-c2ccccn2)no1 ZINC000065381901 184331854 /nfs/dbraw/zinc/33/18/54/184331854.db2.gz TYTZANIEUXVONM-OAHLLOKOSA-N 1 0 322.412 3.285 50 0 DGAARO Cc1ncsc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCOC1 ZINC000065381554 184331910 /nfs/dbraw/zinc/33/19/10/184331910.db2.gz SXEMPNVKMLENSZ-INIZCTEOSA-N 1 0 302.443 3.490 50 0 DGAARO CC[C@@H](CO)[N@H+](C/C(C)=C/c1ccco1)Cc1ccccn1 ZINC000065382957 184332885 /nfs/dbraw/zinc/33/28/85/184332885.db2.gz RPLNOPIYEIDWIA-JMPLCFMRSA-N 1 0 300.402 3.351 50 0 DGAARO CCCN(C/C=C/c1ccccc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000065431911 184343995 /nfs/dbraw/zinc/34/39/95/184343995.db2.gz VTKQQVJYLASCAG-YOCVDRLZSA-N 1 0 312.457 3.328 50 0 DGAARO CCCNc1ccc(C(=O)N2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC000065433518 184344030 /nfs/dbraw/zinc/34/40/30/184344030.db2.gz DKJRIWLGMUZCAD-UHFFFAOYSA-N 1 0 315.461 3.066 50 0 DGAARO O=C(c1cccc(Oc2ccccc2)c1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065491963 184353401 /nfs/dbraw/zinc/35/34/01/184353401.db2.gz FCTPXHYPWAYFLL-SJORKVTESA-N 1 0 322.408 3.445 50 0 DGAARO Cc1cc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]n1 ZINC000065395947 184335365 /nfs/dbraw/zinc/33/53/65/184335365.db2.gz HKPZWTBYUSDJDK-VQTJNVASSA-N 1 0 321.424 3.222 50 0 DGAARO Cc1cc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)no1 ZINC000065563188 184365881 /nfs/dbraw/zinc/36/58/81/184365881.db2.gz IZAYGHJSWKXHTQ-CYBMUJFWSA-N 1 0 316.405 3.234 50 0 DGAARO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065554770 184366187 /nfs/dbraw/zinc/36/61/87/184366187.db2.gz LNAMWOCMAYGDHR-CQSZACIVSA-N 1 0 317.820 3.132 50 0 DGAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)C1 ZINC000255139791 285133927 /nfs/dbraw/zinc/13/39/27/285133927.db2.gz JOOSOLMRVFZNJW-SRMRHOMVSA-N 1 0 313.228 3.075 50 0 DGAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1cccc(Cl)c1Cl ZINC000237590548 257238312 /nfs/dbraw/zinc/23/83/12/257238312.db2.gz WDTNZYDVJVCJCW-CMPLNLGQSA-N 1 0 315.244 3.264 50 0 DGAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000237958765 257238440 /nfs/dbraw/zinc/23/84/40/257238440.db2.gz XMMMJAJOKMGTFW-TUAOUCFPSA-N 1 0 313.228 3.047 50 0 DGAARO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000095422823 257253337 /nfs/dbraw/zinc/25/33/37/257253337.db2.gz NVMCDAQICBYVJN-NXEZZACHSA-N 1 0 301.217 3.265 50 0 DGAARO Cc1nnc2n1C[C@H](C[NH2+]Cc1csc3ccccc13)CC2 ZINC000071871881 184879537 /nfs/dbraw/zinc/87/95/37/184879537.db2.gz CHMOGWTXFFRKHB-ZDUSSCGKSA-N 1 0 312.442 3.153 50 0 DGAARO CC[C@H]([NH2+][C@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O ZINC000071902573 184896482 /nfs/dbraw/zinc/89/64/82/184896482.db2.gz YCODENVLHVCKIP-MFKMUULPSA-N 1 0 303.431 3.033 50 0 DGAARO CC[NH2+]Cc1cccc(NC(=O)Cc2cc(F)ccc2F)c1 ZINC000123362188 195572354 /nfs/dbraw/zinc/57/23/54/195572354.db2.gz NWEPHIUOJYDAGL-UHFFFAOYSA-N 1 0 304.340 3.256 50 0 DGAARO c1ccc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CCOCC2)cc1 ZINC000014979981 285468620 /nfs/dbraw/zinc/46/86/20/285468620.db2.gz SIAGBFFFCNTABF-KRWDZBQOSA-N 1 0 309.413 3.290 50 0 DGAARO O=S1(=O)CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000251274791 296482185 /nfs/dbraw/zinc/48/21/85/296482185.db2.gz MFLJIQSYFWOEAF-IKGGRYGDSA-N 1 0 313.507 3.292 50 0 DGAARO Cc1ccc(N2CCC[C@H]([NH2+]C/C=C\c3ccccc3)C2)nn1 ZINC000104059643 292133693 /nfs/dbraw/zinc/13/36/93/292133693.db2.gz QKWODQBZXBGAJE-ZETNRXDVSA-N 1 0 308.429 3.057 50 0 DGAARO CC1(C)CC(NC(=S)Nc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC000004685228 400085051 /nfs/dbraw/zinc/08/50/51/400085051.db2.gz SDPZPRWZAYKCOV-UHFFFAOYSA-N 1 0 309.454 3.421 50 0 DGAARO CC[C@H](Cn1ccnc1)[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000584889285 400122083 /nfs/dbraw/zinc/12/20/83/400122083.db2.gz QOCJLTODUBEBNQ-QGZVFWFLSA-N 1 0 312.461 3.229 50 0 DGAARO Cc1nccc(NC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000584895811 400123232 /nfs/dbraw/zinc/12/32/32/400123232.db2.gz HWAXEKMLXGSZLN-UHFFFAOYSA-N 1 0 300.381 3.001 50 0 DGAARO CC[C@@H](Cn1cnc2c(Cl)ccc(Cl)c2c1=O)[NH+](C)C ZINC000584901601 400124298 /nfs/dbraw/zinc/12/42/98/400124298.db2.gz CDCHINHKCCACNJ-VIFPVBQESA-N 1 0 314.216 3.044 50 0 DGAARO C[C@H](C[C@H](C)SC1CCCC1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000585135075 400127026 /nfs/dbraw/zinc/12/70/26/400127026.db2.gz WOGFOGIGIULZOD-HZSPNIEDSA-N 1 0 308.495 3.025 50 0 DGAARO CC(=O)Nc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000093387724 400242104 /nfs/dbraw/zinc/24/21/04/400242104.db2.gz FSSSJJZDWXJKPY-HXUWFJFHSA-N 1 0 324.424 3.127 50 0 DGAARO CCCSc1ccccc1N1CC[NH+](CCCCO)CC1 ZINC000096026629 400274199 /nfs/dbraw/zinc/27/41/99/400274199.db2.gz QXDFWRLCGZIIRV-UHFFFAOYSA-N 1 0 308.491 3.083 50 0 DGAARO COc1ccccc1C[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000105438742 400322367 /nfs/dbraw/zinc/32/23/67/400322367.db2.gz CKHDYSFPZCKXFJ-UHFFFAOYSA-N 1 0 317.360 3.033 50 0 DGAARO COCCN1CCC([NH2+]CC2(c3cccc(Cl)c3)CC2)CC1 ZINC000097228461 400283416 /nfs/dbraw/zinc/28/34/16/400283416.db2.gz ZSSJRBBUCCQAAF-UHFFFAOYSA-N 1 0 322.880 3.072 50 0 DGAARO CC(C)(C)[N@H+](CC(N)=O)Cc1cnoc1-c1ccc(Cl)cc1 ZINC000097370598 400284627 /nfs/dbraw/zinc/28/46/27/400284627.db2.gz JYASYIRHEFPBOJ-UHFFFAOYSA-N 1 0 321.808 3.081 50 0 DGAARO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000097231535 400284790 /nfs/dbraw/zinc/28/47/90/400284790.db2.gz BKHNRUYZQFZMMY-KSSFIOAISA-N 1 0 321.428 3.280 50 0 DGAARO CC1(C)[C@H]([NH2+]CCc2nnc3ccccn32)C[C@@H]1c1ccccc1 ZINC000097379784 400285592 /nfs/dbraw/zinc/28/55/92/400285592.db2.gz DUYITCFSRIAQLQ-IAGOWNOFSA-N 1 0 320.440 3.444 50 0 DGAARO CC(C)(C[NH+]1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 ZINC000097373050 400285996 /nfs/dbraw/zinc/28/59/96/400285996.db2.gz OLGYQXYNOIVVEN-KRWDZBQOSA-N 1 0 317.473 3.482 50 0 DGAARO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000106216975 400325134 /nfs/dbraw/zinc/32/51/34/400325134.db2.gz DHFMMSAOXFGLPY-INIZCTEOSA-N 1 0 317.408 3.301 50 0 DGAARO Cc1noc(C)c1NC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000072293205 400379044 /nfs/dbraw/zinc/37/90/44/400379044.db2.gz FJZFUUYHEJSRPR-UHFFFAOYSA-N 1 0 322.453 3.459 50 0 DGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cnc(-c3ccccc3)nc2)c1 ZINC000071882150 400371851 /nfs/dbraw/zinc/37/18/51/400371851.db2.gz FKLKEVIANWYPQV-CVEARBPZSA-N 1 0 321.428 3.388 50 0 DGAARO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(n2cccc2)CC1 ZINC000071904293 400372160 /nfs/dbraw/zinc/37/21/60/400372160.db2.gz JYUBWVWWEDUCBF-CQSZACIVSA-N 1 0 323.400 3.331 50 0 DGAARO C[C@H](NC(=O)Nc1cccc2cccnc21)C1CC[NH+](C)CC1 ZINC000072285582 400377849 /nfs/dbraw/zinc/37/78/49/400377849.db2.gz KYVVIVIEOFNDJR-ZDUSSCGKSA-N 1 0 312.417 3.087 50 0 DGAARO COCc1ccc([C@H]2CCCN2CC[NH+]2CCC(C)CC2)o1 ZINC000131387975 400549238 /nfs/dbraw/zinc/54/92/38/400549238.db2.gz YVDUEVXTOUASHQ-QGZVFWFLSA-N 1 0 306.450 3.295 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000076058047 400630583 /nfs/dbraw/zinc/63/05/83/400630583.db2.gz LHQOQJSQXCEWSV-IUODEOHRSA-N 1 0 324.852 3.085 50 0 DGAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2csc(C3CC3)n2)[C@H](C)C1 ZINC000076057459 400630593 /nfs/dbraw/zinc/63/05/93/400630593.db2.gz AYMQPSIFMRYTIW-DOMZBBRYSA-N 1 0 321.490 3.003 50 0 DGAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2csc(C3CC3)n2)[C@H](C)C1 ZINC000076057470 400631323 /nfs/dbraw/zinc/63/13/23/400631323.db2.gz AYMQPSIFMRYTIW-IUODEOHRSA-N 1 0 321.490 3.003 50 0 DGAARO c1nnc2n1C[C@@H](C[NH2+]Cc1cccc(-c3ccccc3)c1)CC2 ZINC000075605514 400597240 /nfs/dbraw/zinc/59/72/40/400597240.db2.gz BHYLEDJDEWTTDS-QGZVFWFLSA-N 1 0 318.424 3.297 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000169678628 400758988 /nfs/dbraw/zinc/75/89/88/400758988.db2.gz UEEXKEBBAIXLBJ-NVXWUHKLSA-N 1 0 323.477 3.472 50 0 DGAARO C[N@H+](CCC1OCCO1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000170597025 400764182 /nfs/dbraw/zinc/76/41/82/400764182.db2.gz LOIQFOVSUYGFDM-SFHVURJKSA-N 1 0 316.376 3.005 50 0 DGAARO CCOc1cc2c(cc1C[NH2+][C@H](C)c1c[nH]nc1C)O[C@H](C)C2 ZINC000180014019 400880704 /nfs/dbraw/zinc/88/07/04/400880704.db2.gz HDMWDCPXDLVJGG-VXGBXAGGSA-N 1 0 315.417 3.291 50 0 DGAARO CC[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000195549891 400924264 /nfs/dbraw/zinc/92/42/64/400924264.db2.gz IXVSKCSMQYRPDP-SWLSCSKDSA-N 1 0 315.866 3.000 50 0 DGAARO CSCC[C@@H]([NH2+][C@H]1CCCSC1)c1nnc2ccccn21 ZINC000195558447 400924984 /nfs/dbraw/zinc/92/49/84/400924984.db2.gz TWBWQYFDAKLOCX-QWHCGFSZSA-N 1 0 322.503 3.009 50 0 DGAARO O[C@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 ZINC000195560595 400925049 /nfs/dbraw/zinc/92/50/49/400925049.db2.gz UZMCAPVSEXKTNH-AEFFLSMTSA-N 1 0 312.344 3.226 50 0 DGAARO O[C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)c1ccncc1 ZINC000195555541 400925443 /nfs/dbraw/zinc/92/54/43/400925443.db2.gz QBUMOPRDJHUKBV-IBGZPJMESA-N 1 0 302.377 3.475 50 0 DGAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000245289868 401004864 /nfs/dbraw/zinc/00/48/64/401004864.db2.gz FUNMMMBQOWGGHS-KGNRBXHFSA-N 1 0 323.458 3.146 50 0 DGAARO CC(C)SCc1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000225473420 400958656 /nfs/dbraw/zinc/95/86/56/400958656.db2.gz DKZOSLFJAVFHAK-INIZCTEOSA-N 1 0 322.474 3.035 50 0 DGAARO CC[C@@H]1CC[C@H]([NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)C1 ZINC000229909095 400966382 /nfs/dbraw/zinc/96/63/82/400966382.db2.gz LEBDKGSREWHYOJ-WOPDTQHZSA-N 1 0 316.371 3.071 50 0 DGAARO C[N@@H+](Cc1ccco1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247961682 401063627 /nfs/dbraw/zinc/06/36/27/401063627.db2.gz FOTCGNFPIWFKRZ-LPHOPBHVSA-N 1 0 315.413 3.167 50 0 DGAARO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)c2ccccc2)C1 ZINC000253371016 401098536 /nfs/dbraw/zinc/09/85/36/401098536.db2.gz ZMYPPYZYMBRJPI-IIAWOOMASA-N 1 0 306.475 3.302 50 0 DGAARO COC(=O)CCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000253397828 401098547 /nfs/dbraw/zinc/09/85/47/401098547.db2.gz UHHLZACBWKXFPB-RDJZCZTQSA-N 1 0 305.418 3.100 50 0 DGAARO OCC[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000630054674 401170763 /nfs/dbraw/zinc/17/07/63/401170763.db2.gz DHGAVJJMKGCRFD-OKYOBFRVSA-N 1 0 315.457 3.090 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 ZINC000089927323 401244462 /nfs/dbraw/zinc/24/44/62/401244462.db2.gz VZBBTZOZTRYFFU-UTUOFQBUSA-N 1 0 316.371 3.386 50 0 DGAARO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071884634 304383937 /nfs/dbraw/zinc/38/39/37/304383937.db2.gz MTIRSTQVBUSHIV-BRWVUGGUSA-N 1 0 318.848 3.140 50 0 DGAARO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000071376524 292335952 /nfs/dbraw/zinc/33/59/52/292335952.db2.gz SSDOPZRMMYGFAY-INIZCTEOSA-N 1 0 316.445 3.055 50 0 DGAARO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cccc(OC)n1 ZINC000191607494 165261169 /nfs/dbraw/zinc/26/11/69/165261169.db2.gz SYYFESGBCXOSAB-OAHLLOKOSA-N 1 0 312.413 3.309 50 0 DGAARO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129183071 196026941 /nfs/dbraw/zinc/02/69/41/196026941.db2.gz UKISDBUWRWBVRU-UONOGXRCSA-N 1 0 320.399 3.490 50 0 DGAARO c1ccc2c(c1)CCO[C@@H]2CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000246668731 432153909 /nfs/dbraw/zinc/15/39/09/432153909.db2.gz BBRZBSULANCUTR-BZUAXINKSA-N 1 0 302.443 3.304 50 0 DGAARO COC[C@@H](O)C[NH2+][C@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 ZINC000131548318 196178541 /nfs/dbraw/zinc/17/85/41/196178541.db2.gz XLLKUSSZTWGEDL-RDJZCZTQSA-N 1 0 321.461 3.103 50 0 DGAARO CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000037811723 287379913 /nfs/dbraw/zinc/37/99/13/287379913.db2.gz RATNHEGMJNMKBH-OAHLLOKOSA-N 1 0 300.427 3.356 50 0 DGAARO Cn1c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)nnc1C1CC1 ZINC000191363045 432255457 /nfs/dbraw/zinc/25/54/57/432255457.db2.gz OKKSOYCFTJIBIJ-DLBZAZTESA-N 1 0 310.445 3.194 50 0 DGAARO Cn1c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)nnc1C1CC1 ZINC000191363019 432255579 /nfs/dbraw/zinc/25/55/79/432255579.db2.gz OKKSOYCFTJIBIJ-IAGOWNOFSA-N 1 0 310.445 3.194 50 0 DGAARO COc1cc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)ccc1O ZINC000194994053 274094963 /nfs/dbraw/zinc/09/49/63/274094963.db2.gz ZGBLNDPIGZBQBQ-WMZOPIPTSA-N 1 0 313.397 3.411 50 0 DGAARO COc1nc2ccccc2cc1CN1CC[N@H+](C)C[C@H]1C(C)C ZINC000096003695 274168667 /nfs/dbraw/zinc/16/86/67/274168667.db2.gz OYCLMNAKFFEZQH-SFHVURJKSA-N 1 0 313.445 3.015 50 0 DGAARO OC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CCOCC1 ZINC000449126775 275044808 /nfs/dbraw/zinc/04/48/08/275044808.db2.gz NBFAARHLMMHFAG-DOTOQJQBSA-N 1 0 323.864 3.182 50 0 DGAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(O)cc1)[NH2+]CC2 ZINC000020506823 276494096 /nfs/dbraw/zinc/49/40/96/276494096.db2.gz DUKQUMBPNFPFLA-LJQANCHMSA-N 1 0 313.397 3.425 50 0 DGAARO C[C@H](c1ccc(-c2nc(N)nc3nc[nH]c32)cc1)[NH+]1CCCCC1 ZINC000534646611 430161621 /nfs/dbraw/zinc/16/16/21/430161621.db2.gz QITHMZNIOPAESC-GFCCVEGCSA-N 1 0 322.416 3.149 50 0 DGAARO CC(=O)NC1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000069452571 277025880 /nfs/dbraw/zinc/02/58/80/277025880.db2.gz INGZFPIKMMUHJY-LLVKDONJSA-N 1 0 314.351 3.367 50 0 DGAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccccc1 ZINC000008969885 277310773 /nfs/dbraw/zinc/31/07/73/277310773.db2.gz GSVAQPRHUJBYPD-KRWDZBQOSA-N 1 0 319.364 3.476 50 0 DGAARO COc1cccc(CN(C)C(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000068249755 431119492 /nfs/dbraw/zinc/11/94/92/431119492.db2.gz CIXBFQZIEMUPPG-UHFFFAOYSA-N 1 0 312.413 3.029 50 0 DGAARO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2)cc1OC ZINC000000110894 431125162 /nfs/dbraw/zinc/12/51/62/431125162.db2.gz ZAHBSOCTGNBCSC-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 biogenic DGAARO Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)NCC(F)(F)F)s1 ZINC000108123920 431125106 /nfs/dbraw/zinc/12/51/06/431125106.db2.gz YLRHGBYKXUDKLK-GHMZBOCLSA-N 1 0 320.380 3.260 50 0 DGAARO CCN(CC)C(=O)[C@@H](SCCC[NH+](C)C)c1ccccc1 ZINC000096010335 279075621 /nfs/dbraw/zinc/07/56/21/279075621.db2.gz VGQZEETUWUCKKN-INIZCTEOSA-N 1 0 308.491 3.281 50 0 DGAARO O=C(Nc1ccc(C(F)(F)F)cc1)O[C@@H]1C[NH+]2CCC1CC2 ZINC000000129815 431131260 /nfs/dbraw/zinc/13/12/60/431131260.db2.gz GTZHUHCBWQDDDM-CYBMUJFWSA-N 1 0 314.307 3.348 50 0 DGAARO CCC[NH+](CCC)CCCC(=O)NCc1cccc(COC)c1 ZINC000068517168 431132857 /nfs/dbraw/zinc/13/28/57/431132857.db2.gz RQRRSTLWDGFSAG-UHFFFAOYSA-N 1 0 320.477 3.351 50 0 DGAARO C[C@H](C(=O)N(C)CCc1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000108347037 431133945 /nfs/dbraw/zinc/13/39/45/431133945.db2.gz OHARULNACGIXQI-QLFBSQMISA-N 1 0 306.425 3.088 50 0 DGAARO Cc1sc2ncnc(N3CC[NH+](C)CC3)c2c1-c1ccccc1 ZINC000000038310 279288237 /nfs/dbraw/zinc/28/82/37/279288237.db2.gz CQWPCDKKEBUWPK-UHFFFAOYSA-N 1 0 324.453 3.419 50 0 DGAARO C[C@H](CNC(=O)Nc1cc(F)cc(F)c1)[N@@H+]1CCCC[C@H]1C ZINC000252452521 279339538 /nfs/dbraw/zinc/33/95/38/279339538.db2.gz NDMNDYQINJDEOO-VXGBXAGGSA-N 1 0 311.376 3.349 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000063193304 279404480 /nfs/dbraw/zinc/40/44/80/279404480.db2.gz NCTFUGXKQYIQQV-GWCFXTLKSA-N 1 0 300.324 3.047 50 0 DGAARO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000000351997 431170608 /nfs/dbraw/zinc/17/06/08/431170608.db2.gz ZRSMIXOOTWJODX-LJQANCHMSA-N 1 0 311.425 3.101 50 0 DGAARO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)[C@@H](C)n2cccn2)c1 ZINC000069368406 431179908 /nfs/dbraw/zinc/17/99/08/431179908.db2.gz FZNBUMQHKSPRAQ-HUUCEWRRSA-N 1 0 309.417 3.321 50 0 DGAARO CN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccccc1 ZINC000000426420 431181489 /nfs/dbraw/zinc/18/14/89/431181489.db2.gz ZJWAZXMWAUBVNH-UHFFFAOYSA-N 1 0 315.380 3.452 50 0 DGAARO Cc1ccc(CN(C(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)o1 ZINC000069414656 431183049 /nfs/dbraw/zinc/18/30/49/431183049.db2.gz IMPNJZVNSHEWEG-UHFFFAOYSA-N 1 0 319.449 3.135 50 0 DGAARO CC(C)(C)c1cnc(CN2CCC([NH+]3CCCCC3)CC2)o1 ZINC000069443419 431186412 /nfs/dbraw/zinc/18/64/12/431186412.db2.gz WRGRQLSBFIDMME-UHFFFAOYSA-N 1 0 305.466 3.422 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc2c(c1)CCCC2 ZINC000069454023 431187097 /nfs/dbraw/zinc/18/70/97/431187097.db2.gz HYXXBKWUQBVSJI-LSDHHAIUSA-N 1 0 310.445 3.154 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000069489421 431188870 /nfs/dbraw/zinc/18/88/70/431188870.db2.gz PWYNFXFDMHLXLO-IRXDYDNUSA-N 1 0 323.444 3.176 50 0 DGAARO O=C(c1ccc[nH]1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069461713 431189410 /nfs/dbraw/zinc/18/94/10/431189410.db2.gz VFHOLZJMMSXFPZ-MOPGFXCFSA-N 1 0 323.440 3.284 50 0 DGAARO CSCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cc1 ZINC000069493095 431193121 /nfs/dbraw/zinc/19/31/21/431193121.db2.gz ZVWRWFCTRUBIDC-SJORKVTESA-N 1 0 318.486 3.248 50 0 DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2ccnc(-c3ccccc3)n2)c1 ZINC000069535561 431198414 /nfs/dbraw/zinc/19/84/14/431198414.db2.gz DHLWACPMRGSXDX-JKSUJKDBSA-N 1 0 321.428 3.388 50 0 DGAARO COc1ccc(/C=C/C(=O)O[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000000549240 431198892 /nfs/dbraw/zinc/19/88/92/431198892.db2.gz SILLFJYUSYEXKG-SHQCLWGWSA-N 1 0 303.402 3.126 50 0 DGAARO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069559648 431200174 /nfs/dbraw/zinc/20/01/74/431200174.db2.gz SADBENMQUSDJBL-QUCCMNQESA-N 1 0 320.436 3.496 50 0 DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000000238689 431151345 /nfs/dbraw/zinc/15/13/45/431151345.db2.gz APAXEAKJMNJJLO-CQSZACIVSA-N 1 0 310.388 3.045 50 0 DGAARO CC(C)(O)C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000111385760 431218632 /nfs/dbraw/zinc/21/86/32/431218632.db2.gz QPHWAYGRRMEZSJ-UHFFFAOYSA-N 1 0 313.445 3.086 50 0 DGAARO CCS[C@@H]1CCCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000069776167 431218927 /nfs/dbraw/zinc/21/89/27/431218927.db2.gz MPBUTDMWCMDQJT-GFCCVEGCSA-N 1 0 307.419 3.437 50 0 DGAARO COc1ccc([C@H](C)[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1Cl ZINC000069776219 431219615 /nfs/dbraw/zinc/21/96/15/431219615.db2.gz RMAFNDUGSWVLJH-GXTWGEPZSA-N 1 0 324.852 3.258 50 0 DGAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)n1 ZINC000069820212 431225827 /nfs/dbraw/zinc/22/58/27/431225827.db2.gz UXTXXKRZRVDOOT-ZAOIQFLMSA-N 1 0 310.445 3.320 50 0 DGAARO C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)[C@H](C)n1cccn1 ZINC000069951938 431231040 /nfs/dbraw/zinc/23/10/40/431231040.db2.gz GZXQZTSIHYYUKQ-RYUDHWBXSA-N 1 0 302.403 3.339 50 0 DGAARO CC[NH+](CC)CCCNC(=O)c1c(Cl)cccc1Cl ZINC000001794272 431238490 /nfs/dbraw/zinc/23/84/90/431238490.db2.gz LVGIGVGDQMLVAX-UHFFFAOYSA-N 1 0 303.233 3.455 50 0 DGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000070172975 431241021 /nfs/dbraw/zinc/24/10/21/431241021.db2.gz UNKKWMMFZAGSBC-NXEZZACHSA-N 1 0 301.217 3.193 50 0 DGAARO FC(F)(F)c1cc(N2CC[NH2+]CC2)c2cc(Cl)ccc2n1 ZINC000002243380 431248251 /nfs/dbraw/zinc/24/82/51/431248251.db2.gz GIFXTASSJARHPP-UHFFFAOYSA-N 1 0 315.726 3.317 50 0 DGAARO COc1ccc(C[N@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000003218130 431286295 /nfs/dbraw/zinc/28/62/95/431286295.db2.gz TVHFJASIISSPET-UHFFFAOYSA-N 1 0 315.413 3.387 50 0 DGAARO CC(C)[N@@H+]1CC[C@H](C(C(N)=O)(c2ccccc2)c2ccccc2)C1 ZINC000071769349 431287590 /nfs/dbraw/zinc/28/75/90/431287590.db2.gz LCERJMPVWHKTBD-IBGZPJMESA-N 1 0 322.452 3.188 50 0 DGAARO CC(C)[C@@H]1C[N@H+](CC2CC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071762177 431288219 /nfs/dbraw/zinc/28/82/19/431288219.db2.gz IIRTZVFMGJEDKY-SFHVURJKSA-N 1 0 318.436 3.295 50 0 DGAARO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000071819514 431292289 /nfs/dbraw/zinc/29/22/89/431292289.db2.gz RXIXAJJRPDXTPL-CQSZACIVSA-N 1 0 307.825 3.020 50 0 DGAARO CC[NH+](CC)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000003864500 431293202 /nfs/dbraw/zinc/29/32/02/431293202.db2.gz BSRICKLJRJYSGU-GSBYPIHSSA-N 1 0 309.494 3.312 50 0 DGAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000071819520 431293334 /nfs/dbraw/zinc/29/33/34/431293334.db2.gz MMLUKPQFHFSSTJ-GOSISDBHSA-N 1 0 315.417 3.366 50 0 DGAARO CS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000071824914 431294819 /nfs/dbraw/zinc/29/48/19/431294819.db2.gz JRZCZOGNJRLLJB-KRWDZBQOSA-N 1 0 303.427 3.021 50 0 DGAARO CC1CCC(c2nnnn2-c2ccc(Cl)cc2)(N(C)C)CC1 ZINC000004598760 431301341 /nfs/dbraw/zinc/30/13/41/431301341.db2.gz PJZAJNUBOZLQSC-UHFFFAOYSA-N 1 0 319.840 3.283 50 0 DGAARO c1cnn(C[C@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)no2)c1 ZINC000071875583 431304669 /nfs/dbraw/zinc/30/46/69/431304669.db2.gz FJXPNWXTWPKZOS-MRXNPFEDSA-N 1 0 308.385 3.203 50 0 DGAARO Cc1ccc(-c2nc(C[NH2+][C@@H](C)Cn3cccn3)cs2)o1 ZINC000071879138 431306332 /nfs/dbraw/zinc/30/63/32/431306332.db2.gz OJGDFDYREKEKCV-NSHDSACASA-N 1 0 302.403 3.086 50 0 DGAARO O[C@@H](C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000071897142 431310883 /nfs/dbraw/zinc/31/08/83/431310883.db2.gz JBOGAPKDYAYRQR-IBGZPJMESA-N 1 0 321.424 3.476 50 0 DGAARO CN(C)C(C)(C)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000071895958 431311294 /nfs/dbraw/zinc/31/12/94/431311294.db2.gz XJJAPWGLNKIPAE-UHFFFAOYSA-N 1 0 313.445 3.090 50 0 DGAARO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000002655941 431262021 /nfs/dbraw/zinc/26/20/21/431262021.db2.gz BAPKHUKMWKHLGY-AEFFLSMTSA-N 1 0 323.477 3.377 50 0 DGAARO COc1ccc(CC[NH2+]Cc2cc(OC)cc(OC)c2)cc1 ZINC000002734171 431264930 /nfs/dbraw/zinc/26/49/30/431264930.db2.gz CDNSUGNMSIMQTA-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO CSc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000002738851 431266231 /nfs/dbraw/zinc/26/62/31/431266231.db2.gz GFWDOHKLWLBZDU-UHFFFAOYSA-N 1 0 301.411 3.470 50 0 DGAARO CC(C)OC(=O)[C@@H]1CC[NH2+][C@@H]1c1cccc(Br)c1 ZINC000004993874 279640142 /nfs/dbraw/zinc/64/01/42/279640142.db2.gz IXMBVAXQDVTPEC-CHWSQXEVSA-N 1 0 312.207 3.051 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000006992420 431328224 /nfs/dbraw/zinc/32/82/24/431328224.db2.gz ADFMIJQNBVZKGP-UHFFFAOYSA-N 1 0 321.424 3.088 50 0 DGAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(N2CCCCC2)cc1 ZINC000007588079 431356560 /nfs/dbraw/zinc/35/65/60/431356560.db2.gz KNZSPJPWCZWUTO-UHFFFAOYSA-N 1 0 315.461 3.491 50 0 DGAARO COc1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000008844734 431414409 /nfs/dbraw/zinc/41/44/09/431414409.db2.gz NTZKEWPSLXNEAQ-HNNXBMFYSA-N 1 0 321.461 3.478 50 0 DGAARO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000007984439 431374690 /nfs/dbraw/zinc/37/46/90/431374690.db2.gz MKLMIDYWXKRXGJ-CYBMUJFWSA-N 1 0 309.417 3.073 50 0 DGAARO C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)[NH+]1CCCC1 ZINC000008142222 431382821 /nfs/dbraw/zinc/38/28/21/431382821.db2.gz LQVAPKVJMFKHTH-JTQLQIEISA-N 1 0 300.374 3.424 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000008184779 431383588 /nfs/dbraw/zinc/38/35/88/431383588.db2.gz WBCBBKURDAISTA-HNNXBMFYSA-N 1 0 317.364 3.377 50 0 DGAARO CCCN1C(=O)c2ccccc2NC12CC[NH+](C(C)C)CC2 ZINC000008428699 431398855 /nfs/dbraw/zinc/39/88/55/431398855.db2.gz MEJLLUKKFDYAAD-UHFFFAOYSA-N 1 0 301.434 3.165 50 0 DGAARO Fc1ccccc1-c1noc(NCCC[NH+]2CCCCC2)n1 ZINC000009726798 431444181 /nfs/dbraw/zinc/44/41/81/431444181.db2.gz OUNNJDPAFFTBBB-UHFFFAOYSA-N 1 0 304.369 3.164 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc2cccnc21 ZINC000009917316 431450848 /nfs/dbraw/zinc/45/08/48/431450848.db2.gz DPYHUWYADDKCLA-UHFFFAOYSA-N 1 0 319.408 3.226 50 0 DGAARO C[C@@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009911558 431451334 /nfs/dbraw/zinc/45/13/34/431451334.db2.gz ZYUJRZPHATWBJV-GFCCVEGCSA-N 1 0 304.390 3.055 50 0 DGAARO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000010051300 431453190 /nfs/dbraw/zinc/45/31/90/431453190.db2.gz QOFAIWULZCDCMA-SNVBAGLBSA-N 1 0 302.296 3.008 50 0 DGAARO COc1ccc(Cl)cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000009997172 431455028 /nfs/dbraw/zinc/45/50/28/431455028.db2.gz NGPNYDXMOMPKCK-RYUDHWBXSA-N 1 0 310.825 3.265 50 0 DGAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCO)c1 ZINC000009376751 431434791 /nfs/dbraw/zinc/43/47/91/431434791.db2.gz CJSGCYBNFXGQDD-UHFFFAOYSA-N 1 0 321.424 3.320 50 0 DGAARO C[C@H](OC[C@H](O)C[NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000012568477 431518122 /nfs/dbraw/zinc/51/81/22/431518122.db2.gz KLNOGOPYBVDDRJ-SWLSCSKDSA-N 1 0 309.793 3.161 50 0 DGAARO Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)n1 ZINC000012589456 431518687 /nfs/dbraw/zinc/51/86/87/431518687.db2.gz ATEOYJCUIPXQHM-INIZCTEOSA-N 1 0 315.461 3.307 50 0 DGAARO c1nc2ccccc2n1-c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000012567052 431518902 /nfs/dbraw/zinc/51/89/02/431518902.db2.gz CWGSNRUSVRWCKV-KRWDZBQOSA-N 1 0 307.397 3.294 50 0 DGAARO CSCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000011932713 431488084 /nfs/dbraw/zinc/48/80/84/431488084.db2.gz PDKIEUSEGOLWGD-CQSZACIVSA-N 1 0 324.465 3.021 50 0 DGAARO Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000012076518 431489923 /nfs/dbraw/zinc/48/99/23/431489923.db2.gz GAXUVCKIYNABLT-LJQANCHMSA-N 1 0 323.440 3.127 50 0 DGAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)NC1CC1 ZINC000012074505 431490840 /nfs/dbraw/zinc/49/08/40/431490840.db2.gz ULWULBAYRVFOBV-CQSZACIVSA-N 1 0 304.409 3.097 50 0 DGAARO CC(C)CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC000012041073 431492032 /nfs/dbraw/zinc/49/20/32/431492032.db2.gz JRKIPAXDZOAZFJ-MRXNPFEDSA-N 1 0 306.425 3.343 50 0 DGAARO Cc1ccc(N[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1C ZINC000012304881 431501076 /nfs/dbraw/zinc/50/10/76/431501076.db2.gz UTGHEVYAULNUMB-IBGZPJMESA-N 1 0 312.461 3.467 50 0 DGAARO CC(C)(C)C1CCC([NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000012381365 431504773 /nfs/dbraw/zinc/50/47/73/431504773.db2.gz FMKGIDPCVYOVGO-UHFFFAOYSA-N 1 0 302.466 3.204 50 0 DGAARO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC000012348877 431504816 /nfs/dbraw/zinc/50/48/16/431504816.db2.gz ZNCIVTKXDYPCOL-MRXNPFEDSA-N 1 0 302.443 3.398 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1cccnc1 ZINC000012543758 431515796 /nfs/dbraw/zinc/51/57/96/431515796.db2.gz QLEVIZRKTSGJDR-UHFFFAOYSA-N 1 0 324.428 3.389 50 0 DGAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000013594962 431561482 /nfs/dbraw/zinc/56/14/82/431561482.db2.gz LHWSJOWIMJAGSK-INIZCTEOSA-N 1 0 310.397 3.185 50 0 DGAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000013001900 431543448 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CCOc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000025443437 431656735 /nfs/dbraw/zinc/65/67/35/431656735.db2.gz SNGNMFGHKQTRPT-UHFFFAOYSA-N 1 0 318.461 3.470 50 0 DGAARO O[C@H](C[NH+]1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc21 ZINC000019939948 431621962 /nfs/dbraw/zinc/62/19/62/431621962.db2.gz PZKBVQZFRLKVQZ-HXUWFJFHSA-N 1 0 321.424 3.024 50 0 DGAARO CCOc1ccccc1OCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167558 431623308 /nfs/dbraw/zinc/62/33/08/431623308.db2.gz KHMIEYFZCOFTEM-HOTGVXAUSA-N 1 0 307.434 3.354 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1 ZINC000028305415 431705149 /nfs/dbraw/zinc/70/51/49/431705149.db2.gz OEHNGWWNNRQDCX-GFCCVEGCSA-N 1 0 318.804 3.055 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCC2)c2ccc(F)cc12 ZINC000028297174 431705931 /nfs/dbraw/zinc/70/59/31/431705931.db2.gz KJLZQNSERHDGAY-MRXNPFEDSA-N 1 0 304.409 3.290 50 0 DGAARO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1C ZINC000025666511 431662534 /nfs/dbraw/zinc/66/25/34/431662534.db2.gz 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431925059 /nfs/dbraw/zinc/92/50/59/431925059.db2.gz GARNRVZCJTVCFX-GFCCVEGCSA-N 1 0 304.415 3.264 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC000044951240 431879665 /nfs/dbraw/zinc/87/96/65/431879665.db2.gz RESQXFRBMBCMIC-OCCSQVGLSA-N 1 0 321.446 3.313 50 0 DGAARO O=C(CCc1ccc(Cl)s1)NC1CC[NH+](C2CC2)CC1 ZINC000045059419 431881017 /nfs/dbraw/zinc/88/10/17/431881017.db2.gz MIFHSYDEJDQBQM-UHFFFAOYSA-N 1 0 312.866 3.077 50 0 DGAARO C[C@H]1C[C@@H](Nc2ccn(CC[NH+](C)C)n2)c2ccccc2S1 ZINC000089920363 431885700 /nfs/dbraw/zinc/88/57/00/431885700.db2.gz ZCVGCJCQBKGZHR-DZGCQCFKSA-N 1 0 316.474 3.482 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000046049647 431893700 /nfs/dbraw/zinc/89/37/00/431893700.db2.gz YKALVMZEHFHHCN-UHFFFAOYSA-N 1 0 312.816 3.329 50 0 DGAARO Cc1ccc(-n2nnnc2C(C)(C)[NH2+]CCc2ccccc2)cc1 ZINC000046078285 431894134 /nfs/dbraw/zinc/89/41/34/431894134.db2.gz FIIJLWNDYGVELM-UHFFFAOYSA-N 1 0 321.428 3.038 50 0 DGAARO CC(C)OC1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000090771976 431894400 /nfs/dbraw/zinc/89/44/00/431894400.db2.gz ONOXMZZRTMWOER-UHFFFAOYSA-N 1 0 323.506 3.438 50 0 DGAARO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@@H]1COc2ccccc21 ZINC000090845612 431896055 /nfs/dbraw/zinc/89/60/55/431896055.db2.gz VQUZHJIGVSBJBN-YJBOKZPZSA-N 1 0 323.440 3.205 50 0 DGAARO C[C@@H](CNC(=O)c1ccc(F)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000046953655 431903399 /nfs/dbraw/zinc/90/33/99/431903399.db2.gz VBTKLWXJTQZEFS-RYUDHWBXSA-N 1 0 312.816 3.329 50 0 DGAARO CSc1ccccc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000046953072 431903848 /nfs/dbraw/zinc/90/38/48/431903848.db2.gz CBZLHTBNBZYFFM-KBPBESRZSA-N 1 0 306.475 3.259 50 0 DGAARO COc1ccccc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047038413 431904720 /nfs/dbraw/zinc/90/47/20/431904720.db2.gz WFWDFUMSNUIHJS-HZPDHXFCSA-N 1 0 318.461 3.183 50 0 DGAARO C[N@H+](Cc1ccccc1Cn1cccn1)C1CCSCC1 ZINC000097570789 431970702 /nfs/dbraw/zinc/97/07/02/431970702.db2.gz 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/nfs/dbraw/zinc/97/45/00/431974500.db2.gz ABQQPVLOVCKGEA-KRWDZBQOSA-N 1 0 320.502 3.158 50 0 DGAARO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000098056120 431976921 /nfs/dbraw/zinc/97/69/21/431976921.db2.gz BOEOJBMQOMBPBY-QWGSZXSUSA-N 1 0 304.409 3.029 50 0 DGAARO CCn1nc(C)c(C[N@H+](CCOC)CCc2ccccc2)c1C ZINC000055225893 431977929 /nfs/dbraw/zinc/97/79/29/431977929.db2.gz OUALWAJDKDSKDJ-UHFFFAOYSA-N 1 0 315.461 3.211 50 0 DGAARO Cc1ncc([C@H](C)[NH2+][C@H](C)COc2ccc(F)cc2)c(C)n1 ZINC000095967391 431928929 /nfs/dbraw/zinc/92/89/29/431928929.db2.gz NWGROKZJMITEEY-NEPJUHHUSA-N 1 0 303.381 3.351 50 0 DGAARO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000095962186 431929187 /nfs/dbraw/zinc/92/91/87/431929187.db2.gz PANYFBVDPYMPBC-QGZVFWFLSA-N 1 0 312.413 3.182 50 0 DGAARO CC[C@@H](C)C[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000095964865 431929257 /nfs/dbraw/zinc/92/92/57/431929257.db2.gz RNDWIVISZXDOQP-GFCCVEGCSA-N 1 0 312.816 3.283 50 0 DGAARO COc1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1F ZINC000095968111 431929678 /nfs/dbraw/zinc/92/96/78/431929678.db2.gz PMYRZIPWMLDMFS-YBTHPKLGSA-N 1 0 301.427 3.032 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000095968489 431929881 /nfs/dbraw/zinc/92/98/81/431929881.db2.gz HHTLSUVGQNATNS-GXTWGEPZSA-N 1 0 302.349 3.453 50 0 DGAARO CCOc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1OC ZINC000095988551 431932590 /nfs/dbraw/zinc/93/25/90/431932590.db2.gz GRWILYDYECUJNO-OAHLLOKOSA-N 1 0 321.461 3.372 50 0 DGAARO CCS[C@H]1CC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000095990245 431932653 /nfs/dbraw/zinc/93/26/53/431932653.db2.gz AGGIHLVDXLJDQP-KGLIPLIRSA-N 1 0 311.520 3.376 50 0 DGAARO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2nc3ccc(Cl)cc3n2C)C1(C)C ZINC000095989226 431932693 /nfs/dbraw/zinc/93/26/93/431932693.db2.gz OTTKKFMDDJIDBM-AMKSKSKJSA-N 1 0 321.852 3.376 50 0 DGAARO C[C@@H](C[NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000095988833 431932830 /nfs/dbraw/zinc/93/28/30/431932830.db2.gz 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312.413 3.129 50 0 DGAARO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)C1CCCCC1 ZINC000097466606 431969520 /nfs/dbraw/zinc/96/95/20/431969520.db2.gz ZMJGGCJBFXJSKG-UHFFFAOYSA-N 1 0 308.388 3.298 50 0 DGAARO Cc1ccc2[nH]c3c(ncn(CC[N@H+]4CCCC[C@H]4C)c3=O)c2c1 ZINC000005152210 281037858 /nfs/dbraw/zinc/03/78/58/281037858.db2.gz ZEXRTZGYBKEBEQ-CQSZACIVSA-N 1 0 324.428 3.061 50 0 DGAARO Cc1cccc2c1ncn(CC[C@H]1CCCC[N@H+]1C(C)C)c2=O ZINC000032541147 281309886 /nfs/dbraw/zinc/30/98/86/281309886.db2.gz VFIRUXPSGDTOLZ-MRXNPFEDSA-N 1 0 313.445 3.358 50 0 DGAARO CCN(CC)c1ccc(C(=O)NN2Cc3ccccc3C2=[NH2+])cc1 ZINC000102187671 431991850 /nfs/dbraw/zinc/99/18/50/431991850.db2.gz IRCKVJCIGJYNNJ-UHFFFAOYSA-N 1 0 322.412 3.019 50 0 DGAARO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(Br)o1 ZINC000191515387 432272932 /nfs/dbraw/zinc/27/29/32/432272932.db2.gz LNIHLKGQTBWNRP-GXSJLCMTSA-N 1 0 314.179 3.237 50 0 DGAARO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000058157828 431994964 /nfs/dbraw/zinc/99/49/64/431994964.db2.gz 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CC1(C[NH+]2CCC([C@H](O)c3cccs3)CC2)CCOCC1 ZINC000215335789 432643868 /nfs/dbraw/zinc/64/38/68/432643868.db2.gz DUZSDYFDDQSUPM-INIZCTEOSA-N 1 0 309.475 3.310 50 0 DGAARO C[NH+](C)C1(CNC(=O)C[C@H]2CCc3ccccc32)CCCC1 ZINC000215788794 432645349 /nfs/dbraw/zinc/64/53/49/432645349.db2.gz DGEJAIRJSQVEPU-MRXNPFEDSA-N 1 0 300.446 3.097 50 0 DGAARO CC[N@@H+]1CCCN(Cc2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000216056228 432646875 /nfs/dbraw/zinc/64/68/75/432646875.db2.gz IYLDUOYFNAKQOW-UHFFFAOYSA-N 1 0 318.852 3.053 50 0 DGAARO CN(C)C(=O)c1cccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000408521671 282009989 /nfs/dbraw/zinc/00/99/89/282009989.db2.gz QBDJNLQKGIIGCC-QGZVFWFLSA-N 1 0 318.486 3.106 50 0 DGAARO C[NH+](C)CC(=O)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000005524847 282059718 /nfs/dbraw/zinc/05/97/18/282059718.db2.gz FSZVYNKALFDSNK-SFHVURJKSA-N 1 0 312.438 3.060 50 0 DGAARO Cc1ccc([C@H](C)CC[NH+]2CCC(O)(c3cccnc3)CC2)o1 ZINC000216431554 432648846 /nfs/dbraw/zinc/64/88/46/432648846.db2.gz JROUCYAKFJHGGB-OAHLLOKOSA-N 1 0 314.429 3.460 50 0 DGAARO CSCC[NH+]1CCN(Cc2ccc(CC(C)C)s2)CC1 ZINC000216382502 432648913 /nfs/dbraw/zinc/64/89/13/432648913.db2.gz JARCXNWNCWLICO-UHFFFAOYSA-N 1 0 312.548 3.427 50 0 DGAARO C[N@H+](Cc1ccc2ncccc2c1)Cc1ccccc1OCCO ZINC000216393683 432649749 /nfs/dbraw/zinc/64/97/49/432649749.db2.gz RKVOPBPBRZHHHQ-UHFFFAOYSA-N 1 0 322.408 3.238 50 0 DGAARO Cc1sc(C(=O)N2CCC[C@H]([NH3+])C2)cc1-c1ccc(F)cc1 ZINC000158613198 432651714 /nfs/dbraw/zinc/65/17/14/432651714.db2.gz PUNWYKMVYINIQH-AWEZNQCLSA-N 1 0 318.417 3.426 50 0 DGAARO CC(C)c1ccc(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000219528222 432663867 /nfs/dbraw/zinc/66/38/67/432663867.db2.gz UOFOWUHUXQONRN-UHFFFAOYSA-N 1 0 314.473 3.297 50 0 DGAARO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(N2CCCC2=O)cc1 ZINC000225481403 432692845 /nfs/dbraw/zinc/69/28/45/432692845.db2.gz UDQPQPZLWWKTHB-OAHLLOKOSA-N 1 0 309.413 3.102 50 0 DGAARO O=C(NCCn1ccnc1C1CC1)c1ccccc1C(F)(F)F ZINC000225566087 432694331 /nfs/dbraw/zinc/69/43/31/432694331.db2.gz 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CC[NH+](CC)C[C@H]1CCCN1C(=O)NCc1ccccc1C ZINC000426478120 433512422 /nfs/dbraw/zinc/51/24/22/433512422.db2.gz ONTDHHSXMOMMFH-QGZVFWFLSA-N 1 0 303.450 3.011 50 0 DGAARO Cc1ncc(C[N@H+](C)CCCOc2ccc(Cl)cc2)cn1 ZINC000339596344 433674056 /nfs/dbraw/zinc/67/40/56/433674056.db2.gz BEBMYDJGMSPWKI-UHFFFAOYSA-N 1 0 305.809 3.339 50 0 DGAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367537573 293085428 /nfs/dbraw/zinc/08/54/28/293085428.db2.gz GYMVAWJYLVXIHR-GOSISDBHSA-N 1 0 321.428 3.379 50 0 DGAARO C[C@H]([NH2+][C@@H]1CSC1(C)C)c1cccc(N2CCOCC2)c1 ZINC000283370351 433713475 /nfs/dbraw/zinc/71/34/75/433713475.db2.gz NVZIZGZYZSJNSF-XJKSGUPXSA-N 1 0 306.475 3.068 50 0 DGAARO CCCOc1c(C[N@H+](C)[C@@H]2CCC[C@H]2O)cccc1OCC ZINC000348547739 434392492 /nfs/dbraw/zinc/39/24/92/434392492.db2.gz FZNQRPZFDVGSQO-HZPDHXFCSA-N 1 0 307.434 3.219 50 0 DGAARO COc1ccc(/C=C\C(=O)O[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000006007571 295062966 /nfs/dbraw/zinc/06/29/66/295062966.db2.gz SILLFJYUSYEXKG-QIENPNARSA-N 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Cc1nccn1CC[N@@H+](C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000214952676 546261180 /nfs/dbraw/zinc/26/11/80/546261180.db2.gz YZDIBIXCLGFYFD-MRXNPFEDSA-N 1 0 303.406 3.158 50 0 DGAARO Cc1ccccc1CN(C(=O)C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000215160737 546261667 /nfs/dbraw/zinc/26/16/67/546261667.db2.gz AAXMDIWHEBXLPX-INIZCTEOSA-N 1 0 300.446 3.266 50 0 DGAARO O=C(c1c(F)cccc1F)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575608667 547015903 /nfs/dbraw/zinc/01/59/03/547015903.db2.gz ZIXXTEVUJBEKEY-ZDUSSCGKSA-N 1 0 318.323 3.043 50 0 DGAARO CN1C[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000670462217 547758334 /nfs/dbraw/zinc/75/83/34/547758334.db2.gz QNRRJNJJDGZFBQ-GJZGRUSLSA-N 1 0 310.388 3.204 50 0 DGAARO COc1ccc([C@@H](C)C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000170065375 563903248 /nfs/dbraw/zinc/90/32/48/563903248.db2.gz HPAUERHDSBJQFT-ZDUSSCGKSA-N 1 0 312.404 3.118 50 0 DGAARO COc1ccc([C@@H]2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000170050475 563903374 /nfs/dbraw/zinc/90/33/74/563903374.db2.gz 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COc1cccc(CC[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000011874169 660498692 /nfs/dbraw/zinc/49/86/92/660498692.db2.gz YVICKZDNASAGNY-KRWDZBQOSA-N 1 0 313.445 3.274 50 0 DGAARO Cc1ccc(C[N@H+]2CCC(=O)N(CC3CCCCC3)CC2)o1 ZINC000012279490 660518663 /nfs/dbraw/zinc/51/86/63/660518663.db2.gz RQQIFGBLIBQBEJ-UHFFFAOYSA-N 1 0 304.434 3.203 50 0 DGAARO COc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000002461393 655684015 /nfs/dbraw/zinc/68/40/15/655684015.db2.gz VSNOEVFGUAROIK-AWEZNQCLSA-N 1 0 309.450 3.239 50 0 DGAARO C[C@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)C1 ZINC000023145204 655802205 /nfs/dbraw/zinc/80/22/05/655802205.db2.gz FESMPWSJYKFWAZ-YJBOKZPZSA-N 1 0 318.436 3.439 50 0 DGAARO Clc1ccc(OCCOCC[NH+]2CCCC2)cc1Cl ZINC000003461596 655911415 /nfs/dbraw/zinc/91/14/15/655911415.db2.gz IAGIBINJWTWUBV-UHFFFAOYSA-N 1 0 304.217 3.485 50 0 DGAARO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1F ZINC000177418757 655923941 /nfs/dbraw/zinc/92/39/41/655923941.db2.gz WREUNMZHLBFLQZ-UHFFFAOYSA-N 1 0 308.372 3.102 50 0 DGAARO Clc1ccc(OCCOCC[NH+]2CCCC2)c(Cl)c1 ZINC000004989582 656447844 /nfs/dbraw/zinc/44/78/44/656447844.db2.gz GKPOKLTZVDLUQY-UHFFFAOYSA-N 1 0 304.217 3.485 50 0 DGAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000426606770 657089937 /nfs/dbraw/zinc/08/99/37/657089937.db2.gz QIKDJZNBGOCQTO-VNQPRFMTSA-N 1 0 321.490 3.010 50 0 DGAARO CCOc1ccc(-c2nc(CN(C)[C@@H]3CCOC3)c(C)o2)cc1 ZINC000012758148 657579652 /nfs/dbraw/zinc/57/96/52/657579652.db2.gz PYRMSEBBXAJSEF-OAHLLOKOSA-N 1 0 316.401 3.269 50 0 DGAARO C[NH+]1CCC(n2[nH]cc3nc(-c4cc5ccccc5o4)nc2-3)CC1 ZINC000019146163 658656374 /nfs/dbraw/zinc/65/63/74/658656374.db2.gz FRMXULLPJBKTDS-UHFFFAOYSA-N 1 0 321.384 3.439 50 0 DGAARO Fc1cc(OCCC[NH+]2CCCC2)ccc1Br ZINC000087437446 659203743 /nfs/dbraw/zinc/20/37/43/659203743.db2.gz QADAODDILTYSMA-UHFFFAOYSA-N 1 0 302.187 3.453 50 0 DGAARO CC(C)(C)c1ccc(OCc2n[nH]c([C@H]3CCC[NH2+]3)n2)cc1 ZINC000952963180 662208415 /nfs/dbraw/zinc/20/84/15/662208415.db2.gz 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/nfs/dbraw/zinc/21/05/04/662210504.db2.gz UHPPKQWSDDGTKP-QGZVFWFLSA-N 1 0 322.493 3.203 50 0 DGAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1cc(F)cc(Cl)c1 ZINC000952991461 662210655 /nfs/dbraw/zinc/21/06/55/662210655.db2.gz PVVXOPXYACZBIR-UHFFFAOYSA-N 1 0 312.816 3.426 50 0 DGAARO Cn1cc([C@H]2CCC[N@@H+]2CC2([C@H]3CCCCO3)CCC2)cn1 ZINC000952994477 662210976 /nfs/dbraw/zinc/21/09/76/662210976.db2.gz PRAQFVWQQJTZQK-IAGOWNOFSA-N 1 0 303.450 3.296 50 0 DGAARO Cc1nc(CC[NH+]2CCCCC2)n(-c2cccc3cccnc32)n1 ZINC000063870925 685053095 /nfs/dbraw/zinc/05/30/95/685053095.db2.gz KWUIKGPPPAPSCD-UHFFFAOYSA-N 1 0 321.428 3.152 50 0 DGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCCc2nc(C)c(C)s2)n1 ZINC001506396567 1186220734 /nfs/dbraw/zinc/22/07/34/1186220734.db2.gz CLQHSEUTJCBPFU-GFCCVEGCSA-N 1 0 306.479 3.184 50 0 DGAARO Cc1nncn1CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001506410326 1186224598 /nfs/dbraw/zinc/22/45/98/1186224598.db2.gz KEHAIFZMXTZOEV-UHFFFAOYSA-N 1 0 306.413 3.289 50 0 DGAARO Cc1ccc(N2CCC([NH2+][C@H](CO)Cc3ccccc3)CC2)cc1 ZINC001506415529 1186226016 /nfs/dbraw/zinc/22/60/16/1186226016.db2.gz YKLNSTJLAZYAIJ-FQEVSTJZSA-N 1 0 324.468 3.157 50 0 DGAARO CCN(CCC(=O)NC1CCCCCCC1)CC[NH+]1CCCC1 ZINC001529189895 1187540206 /nfs/dbraw/zinc/54/02/06/1187540206.db2.gz BHTRYNILPSKZQR-UHFFFAOYSA-N 1 0 323.525 3.023 50 0 DGAARO C[C@@H](CC(=O)Nc1ccnn1C1CCCC1)[NH+]1CCCCC1 ZINC001529196608 1187540906 /nfs/dbraw/zinc/54/09/06/1187540906.db2.gz CISSRTGXKIMFRH-AWEZNQCLSA-N 1 0 304.438 3.201 50 0 DGAARO CCc1ccc(C[NH+]2CCC3(CC2)C[C@](C)(O)CCO3)s1 ZINC001704329306 1202521554 /nfs/dbraw/zinc/52/15/54/1202521554.db2.gz PUSWRNSNUQEAJJ-MRXNPFEDSA-N 1 0 309.475 3.207 50 0 DGAARO COc1ccc(OCCC[N@@H+]2CCC[C@]3(CCC[C@H]3O)C2)cc1 ZINC001704335633 1202521671 /nfs/dbraw/zinc/52/16/71/1202521671.db2.gz CMNFIIYFGUYGBT-RTBURBONSA-N 1 0 319.445 3.091 50 0 DGAARO C[N@H+](CCCOCc1ccccc1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001704354688 1202522807 /nfs/dbraw/zinc/52/28/07/1202522807.db2.gz IIAPILCXPXIODW-QGFMHUBQSA-N 1 0 303.446 3.075 50 0 DGAARO CSC[C@@H](C)[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000200588651 1081979066 /nfs/dbraw/zinc/97/90/66/1081979066.db2.gz CDLNFJOROGKXMI-CYBMUJFWSA-N 1 0 308.495 3.324 50 0 DGAARO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCC3)CC2)cc1 ZINC000581788058 1083031798 /nfs/dbraw/zinc/03/17/98/1083031798.db2.gz RBDBRNVACKFGHS-MRXNPFEDSA-N 1 0 316.445 3.033 50 0 DGAARO OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000199289318 1086633989 /nfs/dbraw/zinc/63/39/89/1086633989.db2.gz MZPONBXPXRQNAQ-IBGZPJMESA-N 1 0 314.404 3.038 50 0 DGAARO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000199289338 1086634473 /nfs/dbraw/zinc/63/44/73/1086634473.db2.gz MZPONBXPXRQNAQ-LJQANCHMSA-N 1 0 314.404 3.038 50 0 DGAARO CC(C)Oc1ccc(C(=O)N2CCC[N@@H+](C3CCC3)CC2)cc1 ZINC000821971550 1091654027 /nfs/dbraw/zinc/65/40/27/1091654027.db2.gz IJNRRAOFZRHXRV-UHFFFAOYSA-N 1 0 316.445 3.174 50 0 DGAARO CC[C@H](C(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[N@H+](C)CC ZINC000822541623 1091663385 /nfs/dbraw/zinc/66/33/85/1091663385.db2.gz 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ZINC000581788179 1092272727 /nfs/dbraw/zinc/27/27/27/1092272727.db2.gz WWHWTIFXYNQLOB-OAHLLOKOSA-N 1 0 304.409 3.164 50 0 DGAARO Cc1ccc(CN2CC([N@@H+](CC(C)C)C3CCOCC3)C2)cc1 ZINC000581794411 1092279066 /nfs/dbraw/zinc/27/90/66/1092279066.db2.gz CUXVULHYCQYJSM-UHFFFAOYSA-N 1 0 316.489 3.316 50 0 DGAARO Oc1cccnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000585084410 1094977879 /nfs/dbraw/zinc/97/78/79/1094977879.db2.gz WWYNXRBSGHWCGR-CYBMUJFWSA-N 1 0 309.369 3.308 50 0 DGAARO CC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(OC)cn1 ZINC000585085418 1094984720 /nfs/dbraw/zinc/98/47/20/1094984720.db2.gz MAWWNWGMCAZGKB-AEFFLSMTSA-N 1 0 314.429 3.297 50 0 DGAARO O=C(Nc1ccccc1F)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000585135545 1095034164 /nfs/dbraw/zinc/03/41/64/1095034164.db2.gz PSFRYFCZICLISU-CQSZACIVSA-N 1 0 313.376 3.071 50 0 DGAARO C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)CC1(C)CCOCC1 ZINC000952868515 1096781954 /nfs/dbraw/zinc/78/19/54/1096781954.db2.gz ANKAIQAHRGHUHG-KRWDZBQOSA-N 1 0 302.462 3.261 50 0 DGAARO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(Br)ccn1 ZINC000952877045 1096783910 /nfs/dbraw/zinc/78/39/10/1096783910.db2.gz LCZLKZMZOCCYSD-HZMBPMFUSA-N 1 0 313.239 3.046 50 0 DGAARO O[C@@H]1CN(Cc2ccccc2)CC[N@H+](CCC2CCCCC2)C1 ZINC000095510196 185376170 /nfs/dbraw/zinc/37/61/70/185376170.db2.gz IVQAIVJVULSZPL-FQEVSTJZSA-N 1 0 316.489 3.136 50 0 DGAARO Fc1ccc(C[N@@H+]2CCCN(c3ccncc3F)CC2)cc1 ZINC000095520227 185376954 /nfs/dbraw/zinc/37/69/54/185376954.db2.gz AOOKVTDZVWDYLS-UHFFFAOYSA-N 1 0 303.356 3.072 50 0 DGAARO CCOc1ccccc1NC(=O)NCCC12CCC[NH+]1CCC2 ZINC000095519117 185377040 /nfs/dbraw/zinc/37/70/40/185377040.db2.gz LSFZZNBTDZZODX-UHFFFAOYSA-N 1 0 317.433 3.225 50 0 DGAARO C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)C[C@H]1[NH+](C)C ZINC000078896678 185124711 /nfs/dbraw/zinc/12/47/11/185124711.db2.gz DROJLFJQKLIIQH-ORAYPTAESA-N 1 0 323.440 3.134 50 0 DGAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2nccs2)C1 ZINC000078917046 185129309 /nfs/dbraw/zinc/12/93/09/185129309.db2.gz MNKSANCNHUOPCQ-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/35/20/27/192352027.db2.gz UBUYKUQFIKPNOP-HNNXBMFYSA-N 1 0 311.429 3.266 50 0 DGAARO CC[C@@H]1CN(C(=O)c2ccc(CSC)o2)CC[N@@H+]1C(C)C ZINC000082119973 192357314 /nfs/dbraw/zinc/35/73/14/192357314.db2.gz OYNOGAMQOBJCGD-CYBMUJFWSA-N 1 0 310.463 3.087 50 0 DGAARO c1ncn(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)n1 ZINC000092647814 185331478 /nfs/dbraw/zinc/33/14/78/185331478.db2.gz FNHQGTVBOAXEQK-UHFFFAOYSA-N 1 0 319.412 3.177 50 0 DGAARO CCOC(=O)CCCC[N@@H+]1CCC[C@H](c2ncc(C)s2)C1 ZINC000095399814 185353968 /nfs/dbraw/zinc/35/39/68/185353968.db2.gz YXTIIJNRCJDGGO-AWEZNQCLSA-N 1 0 310.463 3.364 50 0 DGAARO CCS[C@H]1CC[C@@]1(O)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000095415534 185358680 /nfs/dbraw/zinc/35/86/80/185358680.db2.gz MURDABJJTHXTMO-DOTOQJQBSA-N 1 0 320.433 3.110 50 0 DGAARO CC[NH+]1CCC(N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000095433833 185364207 /nfs/dbraw/zinc/36/42/07/185364207.db2.gz PDFIHWQTRICDIH-UHFFFAOYSA-N 1 0 307.385 3.078 50 0 DGAARO O=C1[C@H]([NH2+]Cc2cccnc2)CCCN1c1ccccc1Cl 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C[C@H](NC(=O)c1cc2cc(F)ccc2s1)C1=CC[N@H+](C)CC1 ZINC000095469067 185372488 /nfs/dbraw/zinc/37/24/88/185372488.db2.gz GDRDVDRGKQSCFU-NSHDSACASA-N 1 0 318.417 3.421 50 0 DGAARO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccn2)cc1Cl ZINC000095472029 185372541 /nfs/dbraw/zinc/37/25/41/185372541.db2.gz BWHTXUCMKWQCDJ-GFCCVEGCSA-N 1 0 306.793 3.301 50 0 DGAARO CC[C@H](Cc1ccc(C)cc1)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000097033371 185399729 /nfs/dbraw/zinc/39/97/29/185399729.db2.gz MOBXHCCYSISAFO-QGZVFWFLSA-N 1 0 317.477 3.052 50 0 DGAARO C[C@@H]([NH2+]Cc1cnc2ccnn2c1)c1ccc2c(c1)CCCC2 ZINC000058342412 190691261 /nfs/dbraw/zinc/69/12/61/190691261.db2.gz YXBAZWCKEKKDCG-CQSZACIVSA-N 1 0 306.413 3.459 50 0 DGAARO Cc1noc(C(C)C)c1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055748997 282378053 /nfs/dbraw/zinc/37/80/53/282378053.db2.gz SGECJZIECLHGFB-MELADBBJSA-N 1 0 321.465 3.203 50 0 DGAARO CSc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000067587747 190711181 /nfs/dbraw/zinc/71/11/81/190711181.db2.gz 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ZINC000091603538 193078464 /nfs/dbraw/zinc/07/84/64/193078464.db2.gz FRAKVJBGBPZKCJ-UHFFFAOYSA-N 1 0 301.459 3.392 50 0 DGAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)o1 ZINC000091468254 193060276 /nfs/dbraw/zinc/06/02/76/193060276.db2.gz KGDVVDDHQWTCDF-ZWKOTPCHSA-N 1 0 311.429 3.079 50 0 DGAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(CC(C)C)cc2)C[C@H]1C ZINC000091657390 193085944 /nfs/dbraw/zinc/08/59/44/193085944.db2.gz KOHUHQPFASCZFP-YLJYHZDGSA-N 1 0 319.489 3.495 50 0 DGAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@](CO)(CC2CC2)C1 ZINC000091769061 193103675 /nfs/dbraw/zinc/10/36/75/193103675.db2.gz SLCFGNHPNLZRNN-SFHVURJKSA-N 1 0 307.409 3.209 50 0 DGAARO CCOc1ccc(C[N@H+](C)Cc2ccc(CC)cn2)cc1CO ZINC000216215106 201485231 /nfs/dbraw/zinc/48/52/31/201485231.db2.gz MNWMGZNUFLHQRH-UHFFFAOYSA-N 1 0 314.429 3.167 50 0 DGAARO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1F ZINC000262127632 203205776 /nfs/dbraw/zinc/20/57/76/203205776.db2.gz LFILBHKWHYFZDY-JTQLQIEISA-N 1 0 318.314 3.188 50 0 DGAARO Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000262643321 203363739 /nfs/dbraw/zinc/36/37/39/203363739.db2.gz SQFUXTAYGRMZQE-RYRKJORJSA-N 1 0 300.446 3.484 50 0 DGAARO Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCc2ncc(C)s2)o1 ZINC000093773495 193305321 /nfs/dbraw/zinc/30/53/21/193305321.db2.gz YVHBZZKFNPQVTC-UHFFFAOYSA-N 1 0 316.430 3.418 50 0 DGAARO COc1ccccc1C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000095987861 193480352 /nfs/dbraw/zinc/48/03/52/193480352.db2.gz KKTTWWYPHKCWET-XYPHTWIQSA-N 1 0 301.430 3.130 50 0 DGAARO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000096479255 193663383 /nfs/dbraw/zinc/66/33/83/193663383.db2.gz YCZZTXWXIUSYNV-TZMCWYRMSA-N 1 0 305.422 3.082 50 0 DGAARO Cc1cc(C)c(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c(Cl)c1 ZINC000011961925 181721087 /nfs/dbraw/zinc/72/10/87/181721087.db2.gz MHMZJGIIDZAXHE-HNNXBMFYSA-N 1 0 302.805 3.465 50 0 DGAARO Cc1ccccc1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000012984156 181818287 /nfs/dbraw/zinc/81/82/87/181818287.db2.gz KLUFJKOTOYUHHC-MRXNPFEDSA-N 1 0 317.458 3.159 50 0 DGAARO CCC[NH+]1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000013326137 181843783 /nfs/dbraw/zinc/84/37/83/181843783.db2.gz IKQXXYQZHULCCO-UHFFFAOYSA-N 1 0 312.816 3.012 50 0 DGAARO Cn1cc(C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)cn1 ZINC000097202996 193690017 /nfs/dbraw/zinc/69/00/17/193690017.db2.gz TWQYJWYMLFMQHP-UHFFFAOYSA-N 1 0 324.403 3.487 50 0 DGAARO Cc1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCC(C)CC2)o1 ZINC000015860298 182022401 /nfs/dbraw/zinc/02/24/01/182022401.db2.gz ZILHMYKPWUKWEL-OAHLLOKOSA-N 1 0 316.401 3.384 50 0 DGAARO COC(=O)c1ccc(-c2nc(C[NH+]3CCCC3)c(C)o2)cc1 ZINC000015774275 182016109 /nfs/dbraw/zinc/01/61/09/182016109.db2.gz HLPOXEOOBHGRGS-UHFFFAOYSA-N 1 0 300.358 3.032 50 0 DGAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000016483165 182046670 /nfs/dbraw/zinc/04/66/70/182046670.db2.gz JADZNXVRDCHNTG-UHFFFAOYSA-N 1 0 313.426 3.087 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000016604982 182052648 /nfs/dbraw/zinc/05/26/48/182052648.db2.gz VGCPSUFVZQZSHY-UHFFFAOYSA-N 1 0 312.388 3.220 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000016603454 182052706 /nfs/dbraw/zinc/05/27/06/182052706.db2.gz NVYSZEHJWKMYRK-LBPRGKRZSA-N 1 0 306.475 3.087 50 0 DGAARO CC[C@H]1CCc2sc(C(=O)NC3CC[NH+](CC)CC3)cc2C1 ZINC000016605329 182053493 /nfs/dbraw/zinc/05/34/93/182053493.db2.gz JJSWCYYRVPCFAF-ZDUSSCGKSA-N 1 0 320.502 3.477 50 0 DGAARO Cc1cc(CC[NH+]2CCC(Oc3cccc(F)c3)CC2)on1 ZINC000019143395 182105761 /nfs/dbraw/zinc/10/57/61/182105761.db2.gz PLZDWZWPGAEOAK-UHFFFAOYSA-N 1 0 304.365 3.208 50 0 DGAARO COc1ccccc1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019359709 182118277 /nfs/dbraw/zinc/11/82/77/182118277.db2.gz LGRRBSQZIIRKFT-QGZVFWFLSA-N 1 0 300.446 3.169 50 0 DGAARO COc1ccccc1CN1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000019359417 182118395 /nfs/dbraw/zinc/11/83/95/182118395.db2.gz IMJWQTVSBYSWEY-SJLPKXTDSA-N 1 0 302.462 3.392 50 0 DGAARO O=C(CCCN1CC[N@@H+]2CCCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000019362802 182118526 /nfs/dbraw/zinc/11/85/26/182118526.db2.gz YQVNQWHJNJGZLH-GOSISDBHSA-N 1 0 318.436 3.349 50 0 DGAARO CCOc1cc(CN2CC[NH+]([C@@H](C)CC)CC2)ccc1OC ZINC000019499932 182125732 /nfs/dbraw/zinc/12/57/32/182125732.db2.gz JJIFCFNAYHNVLP-HNNXBMFYSA-N 1 0 306.450 3.010 50 0 DGAARO Cc1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019537179 182129004 /nfs/dbraw/zinc/12/90/04/182129004.db2.gz XSOJEOIMWNTEGT-UHFFFAOYSA-N 1 0 324.424 3.042 50 0 DGAARO CC(C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019770269 182144121 /nfs/dbraw/zinc/14/41/21/182144121.db2.gz USMXWNFBXYTVSN-UHFFFAOYSA-N 1 0 308.425 3.383 50 0 DGAARO CC[C@@H](C)[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000019789280 182148878 /nfs/dbraw/zinc/14/88/78/182148878.db2.gz NBOLGEHWXMFVKW-CYBMUJFWSA-N 1 0 311.267 3.365 50 0 DGAARO O=C(Cc1ccccc1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000019789927 182149309 /nfs/dbraw/zinc/14/93/09/182149309.db2.gz XXOXAPGLCVXJQK-UHFFFAOYSA-N 1 0 322.452 3.006 50 0 DGAARO O[C@H](C[NH2+]Cc1cccc(Br)c1)c1ccccc1 ZINC000019872092 182158823 /nfs/dbraw/zinc/15/88/23/182158823.db2.gz YSOIOVMQCGHQTM-OAHLLOKOSA-N 1 0 306.203 3.272 50 0 DGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@@H](C)c3ccccc3)C2=O)cc1 ZINC000019889488 182160705 /nfs/dbraw/zinc/16/07/05/182160705.db2.gz YWJWWPVGOBPONZ-CRAIPNDOSA-N 1 0 322.408 3.020 50 0 DGAARO COc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)c(OC)c1 ZINC000019947549 182169546 /nfs/dbraw/zinc/16/95/46/182169546.db2.gz KLTVWYJMKQTXSJ-LJQANCHMSA-N 1 0 313.397 3.107 50 0 DGAARO Cc1ccc(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000020046658 182183599 /nfs/dbraw/zinc/18/35/99/182183599.db2.gz XXYGLKSKULBOND-IRXDYDNUSA-N 1 0 302.462 3.022 50 0 DGAARO CCc1cc(OCCCN2CC[NH+](CC)CC2)ccc1Cl ZINC000020390085 182213446 /nfs/dbraw/zinc/21/34/46/182213446.db2.gz YKFRGXBWPKAYJO-UHFFFAOYSA-N 1 0 310.869 3.309 50 0 DGAARO C/C=C/c1ccc(OCCCN2CC[NH+](CC)CC2)c(OC)c1 ZINC000020390433 182213932 /nfs/dbraw/zinc/21/39/32/182213932.db2.gz PIAUTEPEVDHQDX-QPJJXVBHSA-N 1 0 318.461 3.135 50 0 DGAARO CCc1cccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020500072 182225275 /nfs/dbraw/zinc/22/52/75/182225275.db2.gz FPVGKMYVKWNJQE-UHFFFAOYSA-N 1 0 324.468 3.446 50 0 DGAARO Cc1ccc(Cl)c(OCCCC[NH+]2CCN(C)CC2)c1C ZINC000020639378 182241199 /nfs/dbraw/zinc/24/11/99/182241199.db2.gz PQPKXYMJUMWYEF-UHFFFAOYSA-N 1 0 310.869 3.363 50 0 DGAARO CC[C@H](C)NC(=O)N1CCC(C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021718307 182285521 /nfs/dbraw/zinc/28/55/21/182285521.db2.gz MFPSSODEZJRVRA-XHSDSOJGSA-N 1 0 309.498 3.184 50 0 DGAARO C[NH+]1CCN(CCOc2ccc(Cl)c3ccccc23)CC1 ZINC000022089507 182308150 /nfs/dbraw/zinc/30/81/50/182308150.db2.gz OAWRVTXAKUOAQB-UHFFFAOYSA-N 1 0 304.821 3.119 50 0 DGAARO C[C@@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000022089194 182308319 /nfs/dbraw/zinc/30/83/19/182308319.db2.gz UWVRKKXBBZGDRZ-ZIAGYGMSSA-N 1 0 304.434 3.032 50 0 DGAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OC ZINC000022076102 182308521 /nfs/dbraw/zinc/30/85/21/182308521.db2.gz YOEJTRBSWUDLSM-OAHLLOKOSA-N 1 0 321.804 3.180 50 0 DGAARO O[C@H](C[C@H]1CCC[N@@H+]1CCc1ccncc1)c1cccs1 ZINC000267436418 206066580 /nfs/dbraw/zinc/06/65/80/206066580.db2.gz GDUCWAUBHLUFTJ-HZPDHXFCSA-N 1 0 302.443 3.274 50 0 DGAARO OCC[C@@H]1C[N@@H+](C2CCCCCC2)CCN1Cc1cccs1 ZINC000023153250 182351904 /nfs/dbraw/zinc/35/19/04/182351904.db2.gz NPUDXMLTUITHIF-QGZVFWFLSA-N 1 0 322.518 3.340 50 0 DGAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1cccc(F)c1 ZINC000023016626 182344947 /nfs/dbraw/zinc/34/49/47/182344947.db2.gz FARNOBQZCOAXRF-UHFFFAOYSA-N 1 0 316.376 3.061 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)c1cccs1 ZINC000023105468 182347750 /nfs/dbraw/zinc/34/77/50/182347750.db2.gz ZYIGPGVKRCABEE-ZDUSSCGKSA-N 1 0 308.834 3.434 50 0 DGAARO Cc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1C ZINC000023373825 182358418 /nfs/dbraw/zinc/35/84/18/182358418.db2.gz JHUVBMGZKUGJPA-FQEVSTJZSA-N 1 0 316.489 3.115 50 0 DGAARO Fc1cccc(-n2cc(C[NH2+][C@@H]3COc4ccccc4C3)cn2)c1 ZINC000023379811 182358927 /nfs/dbraw/zinc/35/89/27/182358927.db2.gz YUNXICSDDWVXPD-KRWDZBQOSA-N 1 0 323.371 3.105 50 0 DGAARO Fc1cccc(-n2cc(C[NH2+][C@H]3COc4ccccc4C3)cn2)c1 ZINC000023379813 182359468 /nfs/dbraw/zinc/35/94/68/182359468.db2.gz YUNXICSDDWVXPD-QGZVFWFLSA-N 1 0 323.371 3.105 50 0 DGAARO CCC(CC)c1cc[n+](CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000024158364 182375713 /nfs/dbraw/zinc/37/57/13/182375713.db2.gz RBQVBLDOYDATSS-UHFFFAOYSA-N 1 0 323.416 3.174 50 0 DGAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000033028451 182689725 /nfs/dbraw/zinc/68/97/25/182689725.db2.gz WGLSNIIEPAMJHS-MRXNPFEDSA-N 1 0 306.837 3.393 50 0 DGAARO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cc(C)on1 ZINC000039992518 183027705 /nfs/dbraw/zinc/02/77/05/183027705.db2.gz UZTHGWOLOHEVRM-ZDUSSCGKSA-N 1 0 319.430 3.383 50 0 DGAARO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000040017225 183028042 /nfs/dbraw/zinc/02/80/42/183028042.db2.gz DIONXICLBZFLRD-UHFFFAOYSA-N 1 0 300.402 3.148 50 0 DGAARO Clc1cc(Br)ccc1OCC1CC[NH2+]CC1 ZINC000039953916 183023660 /nfs/dbraw/zinc/02/36/60/183023660.db2.gz LUONCHIFMJPSGP-UHFFFAOYSA-N 1 0 304.615 3.481 50 0 DGAARO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)C[NH+]1CCCC1 ZINC000040152063 183040246 /nfs/dbraw/zinc/04/02/46/183040246.db2.gz DNQRZYJOJCUNDA-HNNXBMFYSA-N 1 0 302.462 3.446 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000040073576 183031375 /nfs/dbraw/zinc/03/13/75/183031375.db2.gz MUBONCCURPTRQU-INIZCTEOSA-N 1 0 316.445 3.222 50 0 DGAARO Cc1ccc(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000040119882 183037835 /nfs/dbraw/zinc/03/78/35/183037835.db2.gz PGFFNDMASPKTSI-CALCHBBNSA-N 1 0 317.477 3.162 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000041066848 183161919 /nfs/dbraw/zinc/16/19/19/183161919.db2.gz PWZZYMJKCJAHEZ-SNVBAGLBSA-N 1 0 301.217 3.065 50 0 DGAARO CC[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000041906589 183224481 /nfs/dbraw/zinc/22/44/81/183224481.db2.gz FBINEXCYJKGUCB-GOSISDBHSA-N 1 0 302.462 3.418 50 0 DGAARO Fc1cc(Br)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042773600 183306730 /nfs/dbraw/zinc/30/67/30/183306730.db2.gz HVEJOURRRNPSNX-SNVBAGLBSA-N 1 0 302.187 3.357 50 0 DGAARO COc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770180 183306974 /nfs/dbraw/zinc/30/69/74/183306974.db2.gz ALLOEGGDTFMXCC-NSHDSACASA-N 1 0 314.223 3.369 50 0 DGAARO Fc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042773545 183307307 /nfs/dbraw/zinc/30/73/07/183307307.db2.gz VKAGKRSEONFEMQ-LLVKDONJSA-N 1 0 302.187 3.499 50 0 DGAARO CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CCc2ccccc21 ZINC000043146588 183341675 /nfs/dbraw/zinc/34/16/75/183341675.db2.gz DJNRSXLOCRKTTC-KRWDZBQOSA-N 1 0 315.461 3.190 50 0 DGAARO Cc1ccc(NC(=O)NCCC[NH+]2CCCC2)c2cccnc12 ZINC000044030642 183392990 /nfs/dbraw/zinc/39/29/90/183392990.db2.gz WUXWOLLKKKKJIH-UHFFFAOYSA-N 1 0 312.417 3.151 50 0 DGAARO C[C@H](Cc1ccsc1)NC(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000106529403 194225506 /nfs/dbraw/zinc/22/55/06/194225506.db2.gz MGGATPQORPPXAI-LSDHHAIUSA-N 1 0 323.506 3.100 50 0 DGAARO C[C@H](Cc1ccsc1)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000050157611 183775053 /nfs/dbraw/zinc/77/50/53/183775053.db2.gz CBDNATVHLONAGW-OAHLLOKOSA-N 1 0 323.506 3.100 50 0 DGAARO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000056285214 184009129 /nfs/dbraw/zinc/00/91/29/184009129.db2.gz KSOHOZXZAAJXBJ-OAHLLOKOSA-N 1 0 323.440 3.390 50 0 DGAARO C[C@@H]1CCc2sc(C(=O)NCCC3CC[NH+](C)CC3)cc2C1 ZINC000058163744 184083436 /nfs/dbraw/zinc/08/34/36/184083436.db2.gz ZZCVAGLQAQTEII-CYBMUJFWSA-N 1 0 320.502 3.335 50 0 DGAARO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccoc3)c2)CC1 ZINC000058178652 184084935 /nfs/dbraw/zinc/08/49/35/184084935.db2.gz WNPFUDHWKSLZPR-UHFFFAOYSA-N 1 0 312.413 3.442 50 0 DGAARO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000058201459 184086965 /nfs/dbraw/zinc/08/69/65/184086965.db2.gz ZMOQOJQOVLSRSC-GFCCVEGCSA-N 1 0 321.471 3.098 50 0 DGAARO O=C(Nc1nccs1)[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000058201458 184087249 /nfs/dbraw/zinc/08/72/49/184087249.db2.gz ZMOQOJQOVLSRSC-LBPRGKRZSA-N 1 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ZPEORJTWDVSDNW-UHFFFAOYSA-N 1 0 306.793 3.302 50 0 DGAARO O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000063108328 184271360 /nfs/dbraw/zinc/27/13/60/184271360.db2.gz DWBZEGVESZUINF-AQNXPRMDSA-N 1 0 320.436 3.323 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@@H](CC)c2cc(C)ccn2)CC1 ZINC000065394582 184334803 /nfs/dbraw/zinc/33/48/03/184334803.db2.gz AUKFLDVYHMIPKK-HNNXBMFYSA-N 1 0 305.422 3.052 50 0 DGAARO O=C(C[NH2+]CCCc1cccnc1)Nc1ccc(Cl)cc1F ZINC000065394327 184334922 /nfs/dbraw/zinc/33/49/22/184334922.db2.gz NQMRAWKPMSQTSR-UHFFFAOYSA-N 1 0 321.783 3.035 50 0 DGAARO C[N@@H+](Cc1cccnc1)C[C@H]1CC[C@@H](Cc2cccc(O)c2)O1 ZINC000065408435 184339392 /nfs/dbraw/zinc/33/93/92/184339392.db2.gz BHMNWLCOOBASOC-RBUKOAKNSA-N 1 0 312.413 3.009 50 0 DGAARO COCc1ncc(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)cn1 ZINC000065424032 184341855 /nfs/dbraw/zinc/34/18/55/184341855.db2.gz SVTVFFZAZDKJPR-CQSZACIVSA-N 1 0 303.406 3.263 50 0 DGAARO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000065458828 184348278 /nfs/dbraw/zinc/34/82/78/184348278.db2.gz IEULIWPVPQGWJI-WMLDXEAASA-N 1 0 314.433 3.157 50 0 DGAARO CCc1cc(C[N@H+](C)CCC(=O)Nc2cc(C)ccc2F)on1 ZINC000065458620 184348354 /nfs/dbraw/zinc/34/83/54/184348354.db2.gz AQKJJUOFTAHLJR-UHFFFAOYSA-N 1 0 319.380 3.145 50 0 DGAARO CCCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000065465241 184350205 /nfs/dbraw/zinc/35/02/05/184350205.db2.gz PLZWSYADIMCGHN-KGLIPLIRSA-N 1 0 322.836 3.095 50 0 DGAARO CSc1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000065475403 184351845 /nfs/dbraw/zinc/35/18/45/184351845.db2.gz YQGGBPVPWGVWOS-KRWDZBQOSA-N 1 0 320.502 3.095 50 0 DGAARO Cc1nccn1-c1ccccc1C[NH2+]C1Cc2ccccc2C1 ZINC000065397054 184335942 /nfs/dbraw/zinc/33/59/42/184335942.db2.gz LWWVPHGHGAJRQL-UHFFFAOYSA-N 1 0 303.409 3.438 50 0 DGAARO O=C(C1CCC1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065621958 184374750 /nfs/dbraw/zinc/37/47/50/184374750.db2.gz SZCARAWXDWVJCR-MOPGFXCFSA-N 1 0 312.457 3.442 50 0 DGAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2c(Cl)cccc2Cl)C1 ZINC000255002151 285118794 /nfs/dbraw/zinc/11/87/94/285118794.db2.gz RHYZCLVQZPGSOL-GZTOBOFZSA-N 1 0 313.228 3.075 50 0 DGAARO [NH3+][C@H]1CCCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000158188012 197251177 /nfs/dbraw/zinc/25/11/77/197251177.db2.gz FIHBXZRIBLKXBD-AWEZNQCLSA-N 1 0 316.426 3.135 50 0 DGAARO O=C(CC1CC[NH2+]CC1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000157825387 197218471 /nfs/dbraw/zinc/21/84/71/197218471.db2.gz ASYUQNRYXIDLPP-HNNXBMFYSA-N 1 0 306.837 3.046 50 0 DGAARO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21)C1CCC1 ZINC000156934608 197151209 /nfs/dbraw/zinc/15/12/09/197151209.db2.gz BIDHQTVRQJGVNN-QMTHXVAHSA-N 1 0 313.850 3.337 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccccc2Cl)C1 ZINC000048310079 256536506 /nfs/dbraw/zinc/53/65/06/256536506.db2.gz XHNZOXFEHDBGBT-HUUCEWRRSA-N 1 0 322.880 3.367 50 0 DGAARO C[C@@H](CCCO)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000095995577 256550102 /nfs/dbraw/zinc/55/01/02/256550102.db2.gz VPUGUCSEJGHPDY-JSGCOSHPSA-N 1 0 316.367 3.035 50 0 DGAARO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc3nc[nH]c(=O)c3n2)c1 ZINC000521398600 257234447 /nfs/dbraw/zinc/23/44/47/257234447.db2.gz TWNZUYWFJKNRIK-CYBMUJFWSA-N 1 0 320.396 3.382 50 0 DGAARO c1sc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1Cc1ccccc1 ZINC000364631211 257235092 /nfs/dbraw/zinc/23/50/92/257235092.db2.gz HMLGYRBMNHIRDJ-CVEARBPZSA-N 1 0 300.427 3.270 50 0 DGAARO c1sc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1Cc1ccccc1 ZINC000364631213 257235527 /nfs/dbraw/zinc/23/55/27/257235527.db2.gz HMLGYRBMNHIRDJ-HZPDHXFCSA-N 1 0 300.427 3.270 50 0 DGAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000237520652 257238817 /nfs/dbraw/zinc/23/88/17/257238817.db2.gz XOQMAPWIDTVGLF-YJBOKZPZSA-N 1 0 324.424 3.217 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000237416229 257239288 /nfs/dbraw/zinc/23/92/88/257239288.db2.gz XOQMAPWIDTVGLF-CRAIPNDOSA-N 1 0 324.424 3.217 50 0 DGAARO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237377685 257239687 /nfs/dbraw/zinc/23/96/87/257239687.db2.gz ARHFFNAREFXOPR-RISCZKNCSA-N 1 0 321.490 3.309 50 0 DGAARO CCOc1ccc(C(C)=O)cc1C[NH2+]C(C)(C)C[C@@H](C)CO ZINC000521396509 257240491 /nfs/dbraw/zinc/24/04/91/257240491.db2.gz NTDVFYMQEAUHTH-CYBMUJFWSA-N 1 0 307.434 3.175 50 0 DGAARO OCC1(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000521396919 257240584 /nfs/dbraw/zinc/24/05/84/257240584.db2.gz GKZZKQUMBXYFKK-ROUUACIJSA-N 1 0 303.446 3.092 50 0 DGAARO [NH3+][C@H]1CC[C@@H]([C@@H]2CC(=O)Nc3n[nH]c(-c4cccs4)c32)CC1 ZINC000243885859 257259383 /nfs/dbraw/zinc/25/93/83/257259383.db2.gz ACXHDZNIDQTWEV-AXFHLTTASA-N 1 0 316.430 3.082 50 0 DGAARO CC[N@@H+]1CCC[C@H](c2nccn2Cc2cc(C(C)C)no2)C1 ZINC000071763075 257270542 /nfs/dbraw/zinc/27/05/42/257270542.db2.gz AMDJFCJPSZKQBH-AWEZNQCLSA-N 1 0 302.422 3.242 50 0 DGAARO c1cc2cnccc2c(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000125944379 195796912 /nfs/dbraw/zinc/79/69/12/195796912.db2.gz UYLXOELCYKKWQM-QGZVFWFLSA-N 1 0 312.413 3.400 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)c1nc2cc(Cl)ccc2n1C ZINC000091349002 545835980 /nfs/dbraw/zinc/83/59/80/545835980.db2.gz FBGVKAKTBFMQSU-PGUXBMHVSA-N 1 0 307.825 3.038 50 0 DGAARO COC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000091057499 400090911 /nfs/dbraw/zinc/09/09/11/400090911.db2.gz ZQWGZJUVHSOMAT-LBPRGKRZSA-N 1 0 310.825 3.091 50 0 DGAARO Cc1nccn1CC[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000584900535 400123145 /nfs/dbraw/zinc/12/31/45/400123145.db2.gz BURZDGCSTSVMFM-QGZVFWFLSA-N 1 0 312.461 3.101 50 0 DGAARO C[C@H](C[C@@H](C)SC1CCCC1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000585135077 400127256 /nfs/dbraw/zinc/12/72/56/400127256.db2.gz WOGFOGIGIULZOD-MGPQQGTHSA-N 1 0 308.495 3.025 50 0 DGAARO Cc1noc2ncc(C[NH+]3CCC(OC4CCCC4)CC3)cc12 ZINC000585136806 400127740 /nfs/dbraw/zinc/12/77/40/400127740.db2.gz TVMAWLZXBLCULJ-UHFFFAOYSA-N 1 0 315.417 3.455 50 0 DGAARO COc1cc(C[NH2+]Cc2ccccc2C)cc(OC)c1OC ZINC000019809273 400186736 /nfs/dbraw/zinc/18/67/36/400186736.db2.gz YKHMBRTYPFFTSN-UHFFFAOYSA-N 1 0 301.386 3.311 50 0 DGAARO S=C1SCCN1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028630231 400291243 /nfs/dbraw/zinc/29/12/43/400291243.db2.gz MAHTUOWKASSTPD-UHFFFAOYSA-N 1 0 306.500 3.232 50 0 DGAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000110688418 400358135 /nfs/dbraw/zinc/35/81/35/400358135.db2.gz VJVNDDABPNKQBI-HYVNUMGLSA-N 1 0 304.434 3.259 50 0 DGAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000110688839 400358505 /nfs/dbraw/zinc/35/85/05/400358505.db2.gz FUNMMMBQOWGGHS-XIWYJDEZSA-N 1 0 323.458 3.146 50 0 DGAARO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1 ZINC000071909551 400373179 /nfs/dbraw/zinc/37/31/79/400373179.db2.gz POWYUWMKRVMWIP-YJBOKZPZSA-N 1 0 324.428 3.114 50 0 DGAARO Cc1ccc(-c2nnc(C[N@H+]3C[C@@H]4CC(C)=CC[C@@H]4C3)o2)n1C ZINC000072151028 400374838 /nfs/dbraw/zinc/37/48/38/400374838.db2.gz ZXLODKVRTWJSLV-CABCVRRESA-N 1 0 312.417 3.172 50 0 DGAARO Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000072286489 400377776 /nfs/dbraw/zinc/37/77/76/400377776.db2.gz XMQMHSQUSCIWTA-IRXDYDNUSA-N 1 0 302.462 3.335 50 0 DGAARO CC(C)(C)[S@](=O)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000072286935 400378396 /nfs/dbraw/zinc/37/83/96/400378396.db2.gz XASFSLMPZSFPHD-FQEVSTJZSA-N 1 0 307.381 3.342 50 0 DGAARO Cc1ncccc1C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000131453734 400550713 /nfs/dbraw/zinc/55/07/13/400550713.db2.gz ZQOZMAPFUMOBQR-CVEARBPZSA-N 1 0 319.449 3.316 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000076058042 400630562 /nfs/dbraw/zinc/63/05/62/400630562.db2.gz LHQOQJSQXCEWSV-DOMZBBRYSA-N 1 0 324.852 3.085 50 0 DGAARO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1 ZINC000076057821 400630674 /nfs/dbraw/zinc/63/06/74/400630674.db2.gz MXTPKQDZTBAJJU-MAUKXSAKSA-N 1 0 302.462 3.232 50 0 DGAARO CCn1c2cccc(F)c2nc1C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000075606678 400596839 /nfs/dbraw/zinc/59/68/39/400596839.db2.gz YMSUUVGULZRCEJ-QWHCGFSZSA-N 1 0 315.396 3.131 50 0 DGAARO CCC(=O)N1Cc2ccccc2OC2(CC[NH+](C(C)C)CC2)C1 ZINC000169774520 400759612 /nfs/dbraw/zinc/75/96/12/400759612.db2.gz LDRXIVPGCCWGFE-UHFFFAOYSA-N 1 0 316.445 3.061 50 0 DGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)CC1 ZINC000169781501 400761545 /nfs/dbraw/zinc/76/15/45/400761545.db2.gz CKSZTKHCEFZKFR-LJQANCHMSA-N 1 0 300.446 3.075 50 0 DGAARO Cc1c([C@H]2CCCN2Cc2ccc(Br)o2)cnn1C ZINC000170611883 400766600 /nfs/dbraw/zinc/76/66/00/400766600.db2.gz LWEOVQNVIQDVKR-CYBMUJFWSA-N 1 0 324.222 3.421 50 0 DGAARO CCC[C@@H]([NH3+])CNC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000170677236 400769287 /nfs/dbraw/zinc/76/92/87/400769287.db2.gz HWYABPOYTWURTI-NXEZZACHSA-N 1 0 303.233 3.341 50 0 DGAARO c1ccc2[nH]c(CCC[NH2+]Cc3cccc4c3OCCO4)nc2c1 ZINC000078820062 400828011 /nfs/dbraw/zinc/82/80/11/400828011.db2.gz JSOYJGODWSNJBF-UHFFFAOYSA-N 1 0 323.396 3.057 50 0 DGAARO Clc1cc(CN2CCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000079058801 400844379 /nfs/dbraw/zinc/84/43/79/400844379.db2.gz BOBXGGJXQTXKHY-UHFFFAOYSA-N 1 0 323.227 3.106 50 0 DGAARO CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000079103703 400846550 /nfs/dbraw/zinc/84/65/50/400846550.db2.gz DMXWLEXAWLMSNQ-PKOBYXMFSA-N 1 0 300.446 3.160 50 0 DGAARO CC(C)CNC(=O)C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000079103700 400846648 /nfs/dbraw/zinc/84/66/48/400846648.db2.gz DMXWLEXAWLMSNQ-IEBWSBKVSA-N 1 0 300.446 3.160 50 0 DGAARO COC(C)(C)C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000174596917 400860380 /nfs/dbraw/zinc/86/03/80/400860380.db2.gz PLFBHCIDNSSEED-UHFFFAOYSA-N 1 0 300.402 3.175 50 0 DGAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000191092264 400911319 /nfs/dbraw/zinc/91/13/19/400911319.db2.gz UWGVNDOOTVHTNM-DOTOQJQBSA-N 1 0 300.450 3.027 50 0 DGAARO CCc1nc2ccccc2n1C1CCN(CC[NH2+]C(C)C)CC1 ZINC000193484137 400917266 /nfs/dbraw/zinc/91/72/66/400917266.db2.gz DQMKOMBSVUBJDJ-UHFFFAOYSA-N 1 0 314.477 3.234 50 0 DGAARO C[C@H](O)CC[NH2+][C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553586 400925097 /nfs/dbraw/zinc/92/50/97/400925097.db2.gz LUSGTYRQXSEEKN-UWVGGRQHSA-N 1 0 315.339 3.014 50 0 DGAARO c1ccc(OCC[N@H+](C[C@H]2CCC=CO2)C2CCOCC2)cc1 ZINC000225585568 400958185 /nfs/dbraw/zinc/95/81/85/400958185.db2.gz GITMGTZOSCLKOB-LJQANCHMSA-N 1 0 317.429 3.239 50 0 DGAARO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000229608645 400965816 /nfs/dbraw/zinc/96/58/16/400965816.db2.gz PIGLVPZWIWEUKT-CABCVRRESA-N 1 0 321.490 3.114 50 0 DGAARO CN(C)C(=O)c1cncc(-c2ccc3c(c2)CCCC[C@H]3[NH3+])c1 ZINC000629755515 401078353 /nfs/dbraw/zinc/07/83/53/401078353.db2.gz SESYFLRQXSWJAJ-GOSISDBHSA-N 1 0 309.413 3.177 50 0 DGAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000084714920 401152411 /nfs/dbraw/zinc/15/24/11/401152411.db2.gz JDSSHSRMXBDRBV-BLLLJJGKSA-N 1 0 306.837 3.077 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccnc2)[C@@H]1Oc1ccccc1 ZINC000359666327 286356884 /nfs/dbraw/zinc/35/68/84/286356884.db2.gz WCJQUKPIDUQRGX-FDPIWHGQSA-N 1 0 312.413 3.357 50 0 DGAARO CSc1cc(C)ccc1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000133255843 196325352 /nfs/dbraw/zinc/32/53/52/196325352.db2.gz UUCZHXQXDCQCCJ-UHFFFAOYSA-N 1 0 306.475 3.254 50 0 DGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@@H]1C ZINC000097080718 287490294 /nfs/dbraw/zinc/49/02/94/287490294.db2.gz WHUVVLSTUBWZTE-CPUCHLNUSA-N 1 0 309.475 3.146 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000299749782 229393793 /nfs/dbraw/zinc/39/37/93/229393793.db2.gz LMGODGVIRHFSGI-MWNCTCPHSA-N 1 0 306.837 3.172 50 0 DGAARO Cc1cc(C(=O)N2CCC([C@H](C)[NH+]3CCCC3)CC2)cc(C)n1 ZINC000299799720 229461506 /nfs/dbraw/zinc/46/15/06/229461506.db2.gz ZCHQWOHCOGYOPQ-INIZCTEOSA-N 1 0 315.461 3.035 50 0 DGAARO FC1(F)CCC(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000408520229 229627457 /nfs/dbraw/zinc/62/74/57/229627457.db2.gz DXAWWFOGSRFQIH-CQSZACIVSA-N 1 0 324.419 3.229 50 0 DGAARO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)C(C)C)CC3)oc21 ZINC000367929251 271100642 /nfs/dbraw/zinc/10/06/42/271100642.db2.gz IEVVQHUZCHJNBG-MRXNPFEDSA-N 1 0 302.418 3.333 50 0 DGAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000247884716 432252022 /nfs/dbraw/zinc/25/20/22/432252022.db2.gz SIOJXURDYXCQRR-SCTDSRPQSA-N 1 0 314.473 3.483 50 0 DGAARO CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000191381025 432258270 /nfs/dbraw/zinc/25/82/70/432258270.db2.gz XPGFWNIDSBAJMD-HXUWFJFHSA-N 1 0 315.505 3.240 50 0 DGAARO C[C@@H]1CCC[C@@]2(C1)NCC[NH+]=C2NCc1ccccc1Cl ZINC000046153198 274295160 /nfs/dbraw/zinc/29/51/60/274295160.db2.gz NYRNSSHXCMXDEM-DYVFJYSZSA-N 1 0 305.853 3.380 50 0 biogenic DGAARO [NH2+]=c1ccn(CC(=O)N2CCCc3ccccc32)c2ccccc12 ZINC000000226175 274933101 /nfs/dbraw/zinc/93/31/01/274933101.db2.gz ZEOMOUBRQYOTQK-UHFFFAOYSA-N 1 0 317.392 3.100 50 0 DGAARO CC(=O)NC1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000069452569 278090120 /nfs/dbraw/zinc/09/01/20/278090120.db2.gz INGZFPIKMMUHJY-NSHDSACASA-N 1 0 314.351 3.367 50 0 DGAARO CS[C@@H](C)CC[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072128871 278141436 /nfs/dbraw/zinc/14/14/36/278141436.db2.gz OFQHHDQLOWVYCE-AWEZNQCLSA-N 1 0 318.486 3.138 50 0 DGAARO CS[C@H](C)CC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082106916 278158874 /nfs/dbraw/zinc/15/88/74/278158874.db2.gz QPGPTCZNXRHUSG-CYBMUJFWSA-N 1 0 319.474 3.027 50 0 DGAARO C[C@H](CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000090518249 278173943 /nfs/dbraw/zinc/17/39/43/278173943.db2.gz RBUMWEATONXZAT-VWVPQACVSA-N 1 0 307.459 3.180 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(-n2cnnn2)cc1 ZINC000095421150 278386562 /nfs/dbraw/zinc/38/65/62/278386562.db2.gz PECKWAPXQZQAJY-XIKOKIGWSA-N 1 0 323.375 3.140 50 0 DGAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000121647578 278443477 /nfs/dbraw/zinc/44/34/77/278443477.db2.gz MDWALVPKRSJGAU-KBPBESRZSA-N 1 0 314.495 3.308 50 0 DGAARO CCC[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091594691 278805573 /nfs/dbraw/zinc/80/55/73/278805573.db2.gz YAPPQVNOYKILDB-UHFFFAOYSA-N 1 0 300.446 3.301 50 0 DGAARO COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC2 ZINC000000044851 431113995 /nfs/dbraw/zinc/11/39/95/431113995.db2.gz ZBKFZIUKXTWQTP-QGZVFWFLSA-N 1 0 313.397 3.181 50 0 biogenic,in-vitro DGAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2COC)[C@@H](C)C1 ZINC000108148990 431127180 /nfs/dbraw/zinc/12/71/80/431127180.db2.gz HLQQCQCOKOEGJJ-DAYGRLMNSA-N 1 0 319.445 3.291 50 0 DGAARO CC[NH+]1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000000143911 431134202 /nfs/dbraw/zinc/13/42/02/431134202.db2.gz DREJKENLGOKNAZ-UHFFFAOYSA-N 1 0 318.424 3.439 50 0 DGAARO O=C(Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000162837 431136526 /nfs/dbraw/zinc/13/65/26/431136526.db2.gz DCWZTDBABTVENH-UHFFFAOYSA-N 1 0 308.425 3.010 50 0 DGAARO CC1=C[C@@](O)(C(F)(F)F)N(c2nc3ccccc3s2)[NH2+]1 ZINC000000174524 431138961 /nfs/dbraw/zinc/13/89/61/431138961.db2.gz ZQDYPXIEKQJEOZ-LLVKDONJSA-N 1 0 301.293 3.133 50 0 DGAARO COc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000000176614 431140209 /nfs/dbraw/zinc/14/02/09/431140209.db2.gz XZYGOUZJAPIXGN-UHFFFAOYSA-N 1 0 310.397 3.082 50 0 DGAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000300486 431161918 /nfs/dbraw/zinc/16/19/18/431161918.db2.gz HBHDQNPFGNFTOS-YOEHRIQHSA-N 1 0 304.409 3.162 50 0 DGAARO CC(C)CCNC(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000000299518 431162193 /nfs/dbraw/zinc/16/21/93/431162193.db2.gz XVCBFGSTLWQXMF-UHFFFAOYSA-N 1 0 316.489 3.494 50 0 DGAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1cccs1)[C@H](C)n1cccn1 ZINC000069368645 431179593 /nfs/dbraw/zinc/17/95/93/431179593.db2.gz ZVSWDFXKYJTFKU-RYUDHWBXSA-N 1 0 301.419 3.074 50 0 DGAARO C[C@H]([C@H](C)[NH2+]Cc1csc(-c2ccco2)n1)n1cccn1 ZINC000069372303 431180604 /nfs/dbraw/zinc/18/06/04/431180604.db2.gz ONYYUFADYAAHSA-NWDGAFQWSA-N 1 0 302.403 3.339 50 0 DGAARO O[C@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000069351870 431181078 /nfs/dbraw/zinc/18/10/78/431181078.db2.gz SXUOFRFIQASDJV-HXUWFJFHSA-N 1 0 311.425 3.401 50 0 DGAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H](C)n1cccn1 ZINC000069418022 431182609 /nfs/dbraw/zinc/18/26/09/431182609.db2.gz WITUHJXCXMWRDI-CHWSQXEVSA-N 1 0 313.380 3.152 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000000209840 431146974 /nfs/dbraw/zinc/14/69/74/431146974.db2.gz YPHFBWBWEPTCTR-UHFFFAOYSA-N 1 0 300.427 3.143 50 0 DGAARO CCOc1ccc(NC(=O)N2CCC([N@H+](C)C(C)C)CC2)cc1 ZINC000000260982 431156461 /nfs/dbraw/zinc/15/64/61/431156461.db2.gz JZBYSEGPJQTRCF-UHFFFAOYSA-N 1 0 319.449 3.422 50 0 DGAARO Nc1cc(N)[nH+]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000000287603 431158604 /nfs/dbraw/zinc/15/86/04/431158604.db2.gz GKECBGQVJDCSRD-UHFFFAOYSA-N 1 0 301.202 3.240 50 0 DGAARO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2ccccc2)CC1 ZINC000069585123 431202301 /nfs/dbraw/zinc/20/23/01/431202301.db2.gz DJCYBBFSEMIQLW-UHFFFAOYSA-N 1 0 323.440 3.374 50 0 DGAARO OCC[N@H+](Cc1ccccc1)Cc1cccc(Br)c1 ZINC000000761363 431207678 /nfs/dbraw/zinc/20/76/78/431207678.db2.gz LDVSKZMEJLGWNY-UHFFFAOYSA-N 1 0 320.230 3.444 50 0 DGAARO Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069842557 431224745 /nfs/dbraw/zinc/22/47/45/431224745.db2.gz WOFHPSNYDMPDGV-FQEVSTJZSA-N 1 0 322.452 3.143 50 0 DGAARO C[NH+](C)CCCNC(=O)c1sccc1-c1ccc(F)cc1 ZINC000069846264 431228095 /nfs/dbraw/zinc/22/80/95/431228095.db2.gz NYBFMRHJRBGREZ-UHFFFAOYSA-N 1 0 306.406 3.236 50 0 DGAARO [NH2+]=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1 ZINC000001538319 431229297 /nfs/dbraw/zinc/22/92/97/431229297.db2.gz UCAIEVHKDLMIFL-UHFFFAOYSA-N 1 0 308.838 3.453 50 0 investigational DGAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069872376 431229778 /nfs/dbraw/zinc/22/97/78/431229778.db2.gz FYPVPNGQKGWZRX-GJZGRUSLSA-N 1 0 322.836 3.047 50 0 DGAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cl)cc1Cl ZINC000001569047 431230690 /nfs/dbraw/zinc/23/06/90/431230690.db2.gz BARLZQRWLRZUJH-UHFFFAOYSA-N 1 0 301.217 3.209 50 0 DGAARO [NH3+]CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002244335 431247204 /nfs/dbraw/zinc/24/72/04/431247204.db2.gz GUERCAXBAHLNFO-UHFFFAOYSA-N 1 0 310.397 3.264 50 0 DGAARO CC[C@@H]1C[N@H+](Cc2ccncc2)CCC(=O)N1Cc1ccccc1 ZINC000071403929 431279699 /nfs/dbraw/zinc/27/96/99/431279699.db2.gz UOIPPCSREJLZLI-LJQANCHMSA-N 1 0 323.440 3.095 50 0 DGAARO CCOc1ccccc1OCCOCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000003003831 431281598 /nfs/dbraw/zinc/28/15/98/431281598.db2.gz OFFPUJGGOWRIQW-IAGOWNOFSA-N 1 0 321.461 3.459 50 0 DGAARO C[N@H+](CC(C)(C)NS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000003178791 431283618 /nfs/dbraw/zinc/28/36/18/431283618.db2.gz ZEHPOJIVVBSKIB-UHFFFAOYSA-N 1 0 324.490 3.008 50 0 DGAARO COc1cccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCCO3)cs2)c1 ZINC000071793580 431288939 /nfs/dbraw/zinc/28/89/39/431288939.db2.gz CCSRKGZCJJFYRN-WBMJQRKESA-N 1 0 318.442 3.476 50 0 DGAARO C[NH+]1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1 ZINC000004052822 431297742 /nfs/dbraw/zinc/29/77/42/431297742.db2.gz PKYRNWZXBAGHSM-UHFFFAOYSA-N 1 0 311.385 3.049 50 0 DGAARO O=C([C@H]1C[C@@H]1c1ccco1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000071835191 431299800 /nfs/dbraw/zinc/29/98/00/431299800.db2.gz VNEOFUMXQMVJTB-ROUUACIJSA-N 1 0 324.424 3.118 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000071880532 431306232 /nfs/dbraw/zinc/30/62/32/431306232.db2.gz BXQRPXPJNARZBR-ZIAGYGMSSA-N 1 0 312.866 3.377 50 0 DGAARO Cc1cc(C)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000005172726 431307006 /nfs/dbraw/zinc/30/70/06/431307006.db2.gz WNIBDENBSMAVCB-UHFFFAOYSA-N 1 0 323.440 3.308 50 0 DGAARO COc1cccc(NC2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000071897360 431309901 /nfs/dbraw/zinc/30/99/01/431309901.db2.gz AEIGQSKTAPWBQQ-UHFFFAOYSA-N 1 0 311.429 3.209 50 0 DGAARO COc1cccc(NC2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000071897356 431310720 /nfs/dbraw/zinc/31/07/20/431310720.db2.gz ANOQARJPRLEXLU-UHFFFAOYSA-N 1 0 311.429 3.209 50 0 DGAARO CCSCCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000071909302 431313654 /nfs/dbraw/zinc/31/36/54/431313654.db2.gz AFGNPFJFVDXKPN-OAHLLOKOSA-N 1 0 320.502 3.471 50 0 DGAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000071904757 431313902 /nfs/dbraw/zinc/31/39/02/431313902.db2.gz GMUXCGUQLIDVPV-JKSUJKDBSA-N 1 0 318.465 3.049 50 0 DGAARO C(=C/c1ccccc1)\C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000071924543 431319894 /nfs/dbraw/zinc/31/98/94/431319894.db2.gz YMSQATWYSPCCAV-RMKNXTFCSA-N 1 0 307.441 3.349 50 0 DGAARO OCCn1c2cc(Cl)ccc2nc1C[NH+]1CCCCCCC1 ZINC000007486721 431349116 /nfs/dbraw/zinc/34/91/16/431349116.db2.gz SCHLJIJPIULEMI-UHFFFAOYSA-N 1 0 321.852 3.448 50 0 DGAARO C[NH+](C)CCCNCc1ccccc1OCc1ccc(F)cc1 ZINC000008373911 431396547 /nfs/dbraw/zinc/39/65/47/431396547.db2.gz ZJFNKSPFZVPAGH-UHFFFAOYSA-N 1 0 316.420 3.446 50 0 DGAARO CC1CC[NH+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000010434663 431461217 /nfs/dbraw/zinc/46/12/17/431461217.db2.gz ZJDKTGNYFOBONO-GSBYPIHSSA-N 1 0 307.478 3.065 50 0 DGAARO CCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1Br ZINC000010474470 431463283 /nfs/dbraw/zinc/46/32/83/431463283.db2.gz ZASYMBMXKKZCSY-LBPRGKRZSA-N 1 0 314.223 3.116 50 0 DGAARO CCNC(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009364599 431430057 /nfs/dbraw/zinc/43/00/57/431430057.db2.gz PDHXFCWNGKFFFO-LBPRGKRZSA-N 1 0 317.458 3.000 50 0 DGAARO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012582116 431518960 /nfs/dbraw/zinc/51/89/60/431518960.db2.gz PNGCAVXUDBDOFA-LJQANCHMSA-N 1 0 318.436 3.296 50 0 DGAARO CCOc1ccc(C(=O)C[n+]2c(C)n(C)c3ccccc32)cc1 ZINC000012563673 431520183 /nfs/dbraw/zinc/52/01/83/431520183.db2.gz YSOFBEUBRLSRPB-UHFFFAOYSA-N 1 0 309.389 3.056 50 0 DGAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000012701857 431523116 /nfs/dbraw/zinc/52/31/16/431523116.db2.gz WFAOZUGFGDTWHN-MRXNPFEDSA-N 1 0 314.454 3.185 50 0 DGAARO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000075582091 431484377 /nfs/dbraw/zinc/48/43/77/431484377.db2.gz WPVINJCSSZSCCN-JTQLQIEISA-N 1 0 322.206 3.341 50 0 DGAARO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000075552411 431485951 /nfs/dbraw/zinc/48/59/51/431485951.db2.gz TWVPOXRQQWEBAZ-HNNXBMFYSA-N 1 0 309.417 3.159 50 0 DGAARO C[C@H]1CCC[N@H+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 ZINC000012289056 431499532 /nfs/dbraw/zinc/49/95/32/431499532.db2.gz QVHQXGHHFPAPQQ-CYAQNONDSA-N 1 0 321.505 3.312 50 0 DGAARO CC(C)COc1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000012382378 431502734 /nfs/dbraw/zinc/50/27/34/431502734.db2.gz LMNNFVYOGBESOY-UHFFFAOYSA-N 1 0 318.461 3.324 50 0 DGAARO O=C(Cc1cccs1)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000012355728 431502866 /nfs/dbraw/zinc/50/28/66/431502866.db2.gz XKTPBMGHUNSZND-HNNXBMFYSA-N 1 0 320.483 3.305 50 0 DGAARO CC[C@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(F)cc2)N1O ZINC000004873325 288179906 /nfs/dbraw/zinc/17/99/06/288179906.db2.gz SPFPHNSUVABPQK-WMZOPIPTSA-N 1 0 314.360 3.481 50 0 DGAARO C[C@H](C[NH+]1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000012383481 431504861 /nfs/dbraw/zinc/50/48/61/431504861.db2.gz ZDRURAYMFQIRTK-MRXNPFEDSA-N 1 0 300.446 3.125 50 0 DGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000012457876 431509200 /nfs/dbraw/zinc/50/92/00/431509200.db2.gz TWBXPIXRADJWOE-IENJSVCTSA-N 1 0 324.424 3.416 50 0 DGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000012457877 431509570 /nfs/dbraw/zinc/50/95/70/431509570.db2.gz TWBXPIXRADJWOE-DXRVJIQQSA-N 1 0 324.424 3.416 50 0 DGAARO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1OC ZINC000012530430 431512180 /nfs/dbraw/zinc/51/21/80/431512180.db2.gz RRLJXFLIFAAXAR-UHFFFAOYSA-N 1 0 323.396 3.179 50 0 DGAARO Cc1ccc2cc(C(=O)NCC[NH+](C(C)C)C(C)C)[nH]c2c1 ZINC000012921775 431534259 /nfs/dbraw/zinc/53/42/59/431534259.db2.gz PCVJERFFEHFYDL-UHFFFAOYSA-N 1 0 301.434 3.325 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000012941983 431537783 /nfs/dbraw/zinc/53/77/83/431537783.db2.gz XIFKEQNEQPVOKY-KRWDZBQOSA-N 1 0 323.396 3.328 50 0 DGAARO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000012993079 431541045 /nfs/dbraw/zinc/54/10/45/431541045.db2.gz QSRPNRQPLLQNBD-NSHDSACASA-N 1 0 314.351 3.415 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000013326377 431552719 /nfs/dbraw/zinc/55/27/19/431552719.db2.gz DVOJUZNTCJSXOY-UHFFFAOYSA-N 1 0 316.779 3.222 50 0 DGAARO CC(C)C(=O)Nc1ccc(SCC[NH+](C(C)C)C(C)C)nn1 ZINC000013702185 431566273 /nfs/dbraw/zinc/56/62/73/431566273.db2.gz BCDMINUJGPWGLH-UHFFFAOYSA-N 1 0 324.494 3.282 50 0 DGAARO Cc1cc(C(=O)NCCC[NH+](C)C)sc1-c1ccccc1 ZINC000013746635 431569888 /nfs/dbraw/zinc/56/98/88/431569888.db2.gz GYCYIKOBWPGKDD-UHFFFAOYSA-N 1 0 302.443 3.405 50 0 DGAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000014085968 431576392 /nfs/dbraw/zinc/57/63/92/431576392.db2.gz LFHKZHXVDJWQKP-INIZCTEOSA-N 1 0 324.380 3.191 50 0 DGAARO Clc1ccc(CCC[NH+]2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000077247339 431574728 /nfs/dbraw/zinc/57/47/28/431574728.db2.gz XMXKIDPWVYESEK-GOSISDBHSA-N 1 0 322.880 3.069 50 0 DGAARO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 ZINC000014967825 431597403 /nfs/dbraw/zinc/59/74/03/431597403.db2.gz LOLUABDMGNQODU-OAHLLOKOSA-N 1 0 318.417 3.086 50 0 DGAARO Fc1ccccc1C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000014882487 431598040 /nfs/dbraw/zinc/59/80/40/431598040.db2.gz UZNGUCTUEXTSDW-UHFFFAOYSA-N 1 0 322.387 3.143 50 0 DGAARO Cc1cc(C)c2nc(C)cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC000077287161 431581213 /nfs/dbraw/zinc/58/12/13/431581213.db2.gz OSJOLEGNSRPDRD-CVEARBPZSA-N 1 0 323.440 3.127 50 0 DGAARO Fc1cc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c2c(c1)COCO2 ZINC000014171213 431581322 /nfs/dbraw/zinc/58/13/22/431581322.db2.gz PRENALXQZIRXBZ-KBPBESRZSA-N 1 0 322.405 3.196 50 0 DGAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2nc3ccccc3[nH]2)c1 ZINC000077344313 431584434 /nfs/dbraw/zinc/58/44/34/431584434.db2.gz QLZCUWDHWLWGSL-OAHLLOKOSA-N 1 0 309.417 3.204 50 0 DGAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000014254285 431587327 /nfs/dbraw/zinc/58/73/27/431587327.db2.gz JLUUDIILWZRXFG-AWEZNQCLSA-N 1 0 324.424 3.473 50 0 DGAARO Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)cn2c1 ZINC000077377592 431591662 /nfs/dbraw/zinc/59/16/62/431591662.db2.gz FINCENSITASKOR-SFHVURJKSA-N 1 0 323.444 3.284 50 0 DGAARO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCCCCC1 ZINC000025408000 431655567 /nfs/dbraw/zinc/65/55/67/431655567.db2.gz CLFSAWKKFFBMKJ-OAHLLOKOSA-N 1 0 313.445 3.091 50 0 DGAARO CC(=O)c1cccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016488519 431613508 /nfs/dbraw/zinc/61/35/08/431613508.db2.gz IFPJINFMJJXFPG-GASCZTMLSA-N 1 0 305.418 3.157 50 0 DGAARO C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccco3)n2)C1 ZINC000022293686 431633806 /nfs/dbraw/zinc/63/38/06/431633806.db2.gz VAJZQINVLKGUKM-RYUDHWBXSA-N 1 0 319.430 3.466 50 0 DGAARO CC[NH+]1CCN(c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 ZINC000025185063 431649908 /nfs/dbraw/zinc/64/99/08/431649908.db2.gz XXCOHOKLWCSRCW-UHFFFAOYSA-N 1 0 303.450 3.122 50 0 DGAARO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000026180315 431670260 /nfs/dbraw/zinc/67/02/60/431670260.db2.gz KSCVMVFTCVHBKC-ZDUSSCGKSA-N 1 0 303.450 3.356 50 0 DGAARO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000026310461 431672604 /nfs/dbraw/zinc/67/26/04/431672604.db2.gz HOBMMTZLSXUWLH-UHFFFAOYSA-N 1 0 323.440 3.306 50 0 DGAARO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc2ccccc2c(=O)[nH]1 ZINC000119367461 431684405 /nfs/dbraw/zinc/68/44/05/431684405.db2.gz XYCOUIOVZZIMSZ-CQSZACIVSA-N 1 0 322.408 3.297 50 0 DGAARO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000078578646 431686451 /nfs/dbraw/zinc/68/64/51/431686451.db2.gz VCBGIVLLQXDAFE-SFHVURJKSA-N 1 0 318.461 3.240 50 0 DGAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@H](F)C1 ZINC000078710471 431699076 /nfs/dbraw/zinc/69/90/76/431699076.db2.gz JXBLMDWEOQDVAC-CABCVRRESA-N 1 0 308.397 3.124 50 0 DGAARO C[C@@H](CNC(=O)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025633110 431662962 /nfs/dbraw/zinc/66/29/62/431662962.db2.gz JUOQKSPADHGZND-AWEZNQCLSA-N 1 0 312.388 3.002 50 0 DGAARO C[C@H](CNC(=O)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025633114 431663831 /nfs/dbraw/zinc/66/38/31/431663831.db2.gz JUOQKSPADHGZND-CQSZACIVSA-N 1 0 312.388 3.002 50 0 DGAARO O=C(CCC(F)(F)F)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000079503963 431727811 /nfs/dbraw/zinc/72/78/11/431727811.db2.gz NJTMGCXACGFTSH-UHFFFAOYSA-N 1 0 314.351 3.241 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)c[nH]1 ZINC000030057314 431733283 /nfs/dbraw/zinc/73/32/83/431733283.db2.gz XXJLQNXICPLXHJ-UHFFFAOYSA-N 1 0 317.820 3.063 50 0 DGAARO COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)cc2c1OCCO2 ZINC000030630868 431742259 /nfs/dbraw/zinc/74/22/59/431742259.db2.gz OJQHYWFPSDMHLP-UHFFFAOYSA-N 1 0 321.323 3.034 50 0 DGAARO c1cnn(-c2ccc(C[NH2+][C@@H]3CCOc4ccccc43)cc2)c1 ZINC000030545273 431742719 /nfs/dbraw/zinc/74/27/19/431742719.db2.gz DCUDLZWUKHTEAJ-GOSISDBHSA-N 1 0 305.381 3.486 50 0 DGAARO Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000031565501 431760084 /nfs/dbraw/zinc/76/00/84/431760084.db2.gz QLWGWVRLTNXRIA-FQEVSTJZSA-N 1 0 322.452 3.318 50 0 DGAARO CC[C@H](CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032739818 431790277 /nfs/dbraw/zinc/79/02/77/431790277.db2.gz OEXRYSRGLSLSSJ-GOSISDBHSA-N 1 0 321.424 3.400 50 0 DGAARO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)cc2)cc1 ZINC000032797218 431793448 /nfs/dbraw/zinc/79/34/48/431793448.db2.gz RPBRSLXETUQNFE-QGZVFWFLSA-N 1 0 310.441 3.440 50 0 DGAARO CC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000032907379 431800332 /nfs/dbraw/zinc/80/03/32/431800332.db2.gz PVHVHVQSXUICBJ-KRWDZBQOSA-N 1 0 317.433 3.131 50 0 DGAARO C[C@@H](C(=O)Nc1c2c(cc3c1CCC3)CCC2)[NH+]1CCCCC1 ZINC000033889519 431816875 /nfs/dbraw/zinc/81/68/75/431816875.db2.gz JSSQOQZPYZSHFN-AWEZNQCLSA-N 1 0 312.457 3.477 50 0 DGAARO Cc1cccc2c1ncn(CC[C@@H]1CCCC[N@H+]1C(C)C)c2=O ZINC000032541148 431782337 /nfs/dbraw/zinc/78/23/37/431782337.db2.gz VFIRUXPSGDTOLZ-INIZCTEOSA-N 1 0 313.445 3.358 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000032674921 431787155 /nfs/dbraw/zinc/78/71/55/431787155.db2.gz BQHYVHQTMGGDDD-HXUWFJFHSA-N 1 0 322.452 3.137 50 0 DGAARO CCN(CC)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037547719 431848056 /nfs/dbraw/zinc/84/80/56/431848056.db2.gz XDEWLCFKYFYDNI-INIZCTEOSA-N 1 0 302.462 3.198 50 0 DGAARO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CC2(CO)COC2)cc1 ZINC000089103880 431859232 /nfs/dbraw/zinc/85/92/32/431859232.db2.gz PCZGTBXECORLID-QGZVFWFLSA-N 1 0 303.446 3.130 50 0 DGAARO C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000089319405 431863526 /nfs/dbraw/zinc/86/35/26/431863526.db2.gz RQTHZGCIUWMYQZ-ROUUACIJSA-N 1 0 312.388 3.173 50 0 DGAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCCOC1CCCCC1 ZINC000042911991 431866553 /nfs/dbraw/zinc/86/65/53/431866553.db2.gz SRAVPKUMUMXNDK-UHFFFAOYSA-N 1 0 314.433 3.301 50 0 DGAARO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000123530460 431867505 /nfs/dbraw/zinc/86/75/05/431867505.db2.gz GLARDDHVCWTSKI-SJORKVTESA-N 1 0 310.445 3.327 50 0 DGAARO Cc1nc2ccccn2c1C[NH2+]C(C)(C)c1ccc2c(c1)OCO2 ZINC000089547718 431870168 /nfs/dbraw/zinc/87/01/68/431870168.db2.gz MNIYHPADMUKXBP-UHFFFAOYSA-N 1 0 323.396 3.396 50 0 DGAARO O=C(/C=C/c1cnccn1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000084374349 431823793 /nfs/dbraw/zinc/82/37/93/431823793.db2.gz OAPWKABUUKLUTP-BQYQJAHWSA-N 1 0 322.412 3.114 50 0 DGAARO O[C@@H](C[NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000035112797 431824649 /nfs/dbraw/zinc/82/46/49/431824649.db2.gz QBOQSWPBTCCHBE-LBPRGKRZSA-N 1 0 312.232 3.334 50 0 DGAARO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000035270227 431828059 /nfs/dbraw/zinc/82/80/59/431828059.db2.gz YESBJFJJWMHILD-HZPDHXFCSA-N 1 0 302.418 3.128 50 0 DGAARO Cc1cccc(C[N@@H+](C[C@H](O)COCc2ccco2)C(C)C)c1 ZINC000036098714 431835023 /nfs/dbraw/zinc/83/50/23/431835023.db2.gz FTEUCCYSSYKGMV-SFHVURJKSA-N 1 0 317.429 3.376 50 0 DGAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COCc1ccco1 ZINC000036100563 431835742 /nfs/dbraw/zinc/83/57/42/431835742.db2.gz NCOBOKQPVURKHZ-GOSISDBHSA-N 1 0 317.429 3.378 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)o1)C[C@H](O)COCc1ccco1 ZINC000036097744 431836190 /nfs/dbraw/zinc/83/61/90/431836190.db2.gz AFPFLSLMUWCZEJ-ZBFHGGJFSA-N 1 0 321.417 3.359 50 0 DGAARO CC(C)COC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000036103246 431837265 /nfs/dbraw/zinc/83/72/65/431837265.db2.gz WJOKCDADOSBYHU-GOSISDBHSA-N 1 0 317.429 3.315 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCc2ccccc2)C1 ZINC000047416248 431910241 /nfs/dbraw/zinc/91/02/41/431910241.db2.gz PVDZAGUHQXXYCC-CALCHBBNSA-N 1 0 302.462 3.103 50 0 DGAARO C[NH+](C)CCOc1ccc(NC(=O)NCc2cccs2)cc1 ZINC000047606855 431912968 /nfs/dbraw/zinc/91/29/68/431912968.db2.gz HODYNJHDFZWHSG-UHFFFAOYSA-N 1 0 319.430 3.010 50 0 DGAARO C[NH+](C)Cc1ccccc1NC(=O)c1ccccc1-n1cccn1 ZINC000048261716 431921164 /nfs/dbraw/zinc/92/11/64/431921164.db2.gz ZSWVVZHDHSQAMM-UHFFFAOYSA-N 1 0 320.396 3.186 50 0 DGAARO Fc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c2ncccc12 ZINC000048262023 431921663 /nfs/dbraw/zinc/92/16/63/431921663.db2.gz FBGMNMVYLFZYJF-CYBMUJFWSA-N 1 0 300.377 3.375 50 0 DGAARO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc4c(c3)OCO4)c2c1 ZINC000095101190 431922035 /nfs/dbraw/zinc/92/20/35/431922035.db2.gz GNRQVJHOAQLEPM-CQSZACIVSA-N 1 0 324.380 3.403 50 0 DGAARO CCn1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000048313744 431922663 /nfs/dbraw/zinc/92/26/63/431922663.db2.gz KZTDEDMTXUJEGF-UHFFFAOYSA-N 1 0 311.429 3.018 50 0 DGAARO CCCCn1ccnc1[C@H]1CCC[N@H+](Cc2snnc2C)C1 ZINC000095362723 431922903 /nfs/dbraw/zinc/92/29/03/431922903.db2.gz BAOARUKTSAWFST-AWEZNQCLSA-N 1 0 319.478 3.223 50 0 DGAARO CSCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310688 431922962 /nfs/dbraw/zinc/92/29/62/431922962.db2.gz HVBBBHVIJWNYEM-GASCZTMLSA-N 1 0 320.502 3.144 50 0 DGAARO Cc1cc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)on1 ZINC000095354938 431922950 /nfs/dbraw/zinc/92/29/50/431922950.db2.gz HCEHMABLWNIVHK-ZWKOTPCHSA-N 1 0 311.429 3.079 50 0 DGAARO CCCCn1ccnc1[C@@H]1CCC[N@H+](Cc2snnc2C)C1 ZINC000095362722 431923308 /nfs/dbraw/zinc/92/33/08/431923308.db2.gz BAOARUKTSAWFST-CQSZACIVSA-N 1 0 319.478 3.223 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccccc1Cl ZINC000095375387 431924210 /nfs/dbraw/zinc/92/42/10/431924210.db2.gz 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/nfs/dbraw/zinc/88/10/24/431881024.db2.gz NWEWOCUILABQFM-KRWDZBQOSA-N 1 0 312.457 3.053 50 0 DGAARO Cc1cc(C)cc(OCCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000045055196 431881143 /nfs/dbraw/zinc/88/11/43/431881143.db2.gz VDNUVOOXMNFLDU-UHFFFAOYSA-N 1 0 318.461 3.061 50 0 DGAARO Cc1ncccc1CN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000124116933 431883531 /nfs/dbraw/zinc/88/35/31/431883531.db2.gz OPCMOBZKKXDWJR-OKILXGFUSA-N 1 0 319.449 3.220 50 0 DGAARO C[C@H](CNC(=O)c1cccc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000045464872 431885296 /nfs/dbraw/zinc/88/52/96/431885296.db2.gz CQZLKLGFDGROHO-CQSZACIVSA-N 1 0 312.388 3.002 50 0 DGAARO C[C@@H]1C[C@H](Nc2ccn(CC[NH+](C)C)n2)c2ccccc2S1 ZINC000089920360 431885486 /nfs/dbraw/zinc/88/54/86/431885486.db2.gz ZCVGCJCQBKGZHR-HIFRSBDPSA-N 1 0 316.474 3.482 50 0 DGAARO Cc1cccc(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000045701225 431888897 /nfs/dbraw/zinc/88/88/97/431888897.db2.gz XIXUQQDARTVRCP-QGZVFWFLSA-N 1 0 317.477 3.306 50 0 DGAARO COCC(=O)Nc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000045822761 431889812 /nfs/dbraw/zinc/88/98/12/431889812.db2.gz MKWGTCTYRWBSSV-UHFFFAOYSA-N 1 0 324.833 3.276 50 0 DGAARO Cc1cccc(C)c1-n1nnnc1C1([NH+]2CCCC2)CCCC1 ZINC000046078057 431894086 /nfs/dbraw/zinc/89/40/86/431894086.db2.gz HRPKWJYZUXFJHH-UHFFFAOYSA-N 1 0 311.433 3.144 50 0 DGAARO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(F)cc2F)c1 ZINC000046072081 431894598 /nfs/dbraw/zinc/89/45/98/431894598.db2.gz CBGBMMVWKIGRSR-UHFFFAOYSA-N 1 0 319.355 3.348 50 0 DGAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)CCO2 ZINC000046989879 431903379 /nfs/dbraw/zinc/90/33/79/431903379.db2.gz ZFXFDGTWSRQRJN-HNNXBMFYSA-N 1 0 316.445 3.006 50 0 DGAARO COc1ccccc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047038412 431904845 /nfs/dbraw/zinc/90/48/45/431904845.db2.gz WFWDFUMSNUIHJS-HOTGVXAUSA-N 1 0 318.461 3.183 50 0 DGAARO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000097514969 431970830 /nfs/dbraw/zinc/97/08/30/431970830.db2.gz OVVANPMPBOKASP-HXUWFJFHSA-N 1 0 320.436 3.358 50 0 DGAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000097632000 431972104 /nfs/dbraw/zinc/97/21/04/431972104.db2.gz UBKSTBFKQFEVAT-AWEZNQCLSA-N 1 0 311.429 3.253 50 0 DGAARO Cc1ccccc1CC1(NC(=O)[C@H]2CCCCC[N@H+]2C)CC1 ZINC000097604275 431972670 /nfs/dbraw/zinc/97/26/70/431972670.db2.gz WZDWHIOJGLZSDC-QGZVFWFLSA-N 1 0 300.446 3.061 50 0 DGAARO CC(C)Oc1ccc(C[N@H+](C)C2CCSCC2)cc1CO ZINC000097713477 431974130 /nfs/dbraw/zinc/97/41/30/431974130.db2.gz CDQSSIFJIZKGLD-UHFFFAOYSA-N 1 0 309.475 3.294 50 0 DGAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1ccccc1OCCO ZINC000055383552 431980860 /nfs/dbraw/zinc/98/08/60/431980860.db2.gz PQPYPPRNJNCVND-MRXNPFEDSA-N 1 0 314.429 3.253 50 0 DGAARO CCOc1cccc(C[N@H+](CCO)CCCC(F)(F)F)c1 ZINC000055271742 431978849 /nfs/dbraw/zinc/97/88/49/431978849.db2.gz QZKRAQUBLYOLQG-UHFFFAOYSA-N 1 0 305.340 3.222 50 0 DGAARO CCn1cc(C[N@@H+](Cc2cccc3c2OCO3)CC(C)C)cn1 ZINC000055269808 431979373 /nfs/dbraw/zinc/97/93/73/431979373.db2.gz 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CCS[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC000095990120 431932564 /nfs/dbraw/zinc/93/25/64/431932564.db2.gz YIZKPLWZCDNGCI-CVEARBPZSA-N 1 0 316.474 3.246 50 0 DGAARO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@]3(O)CCSC3)oc21 ZINC000095987979 431932587 /nfs/dbraw/zinc/93/25/87/431932587.db2.gz USNLNJRCEHFWJM-SJCJKPOMSA-N 1 0 321.442 3.350 50 0 DGAARO CC[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1(C(=O)OC)CCC1 ZINC000252511034 280945963 /nfs/dbraw/zinc/94/59/63/280945963.db2.gz DGEAGFNJCSUTEO-ZJPYXAASSA-N 1 0 313.441 3.284 50 0 DGAARO O=C(Cc1ccccc1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000049573704 431941561 /nfs/dbraw/zinc/94/15/61/431941561.db2.gz XSJJEUVFTXGUID-UHFFFAOYSA-N 1 0 300.446 3.096 50 0 DGAARO CCOC(=O)CCCCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000096417425 431946568 /nfs/dbraw/zinc/94/65/68/431946568.db2.gz QXBFVEOQXRIZMY-QGZVFWFLSA-N 1 0 310.482 3.060 50 0 DGAARO COc1ccc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)cn1 ZINC000126369976 431948637 /nfs/dbraw/zinc/94/86/37/431948637.db2.gz 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C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1Cl)CS(C)(=O)=O ZINC000096491891 431953817 /nfs/dbraw/zinc/95/38/17/431953817.db2.gz LSIARAVUBVWMJE-UWVGGRQHSA-N 1 0 324.273 3.325 50 0 DGAARO C[C@@H](O)CC[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000096497173 431954328 /nfs/dbraw/zinc/95/43/28/431954328.db2.gz ZURSRXBOTPUBGF-LLVKDONJSA-N 1 0 323.234 3.200 50 0 DGAARO CCCC[C@H]([NH3+])C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000096499764 431954377 /nfs/dbraw/zinc/95/43/77/431954377.db2.gz CHTVWKMMYMGYBE-HNNXBMFYSA-N 1 0 324.852 3.227 50 0 DGAARO COC[C@@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000096495890 431954408 /nfs/dbraw/zinc/95/44/08/431954408.db2.gz NKDQKZUDQUYQCA-SNVBAGLBSA-N 1 0 309.207 3.122 50 0 DGAARO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1cccnc1 ZINC000097038844 431957161 /nfs/dbraw/zinc/95/71/61/431957161.db2.gz WZQILQPUBRGNOZ-AWEZNQCLSA-N 1 0 312.417 3.123 50 0 DGAARO Nc1cc(Cl)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000052929225 431959700 /nfs/dbraw/zinc/95/97/00/431959700.db2.gz ZMFBUBUZGUAMEM-UHFFFAOYSA-N 1 0 301.821 3.244 50 0 DGAARO CC(C)=CC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000053100854 431959948 /nfs/dbraw/zinc/95/99/48/431959948.db2.gz QSEXDANSKUJMCY-UHFFFAOYSA-N 1 0 308.853 3.303 50 0 DGAARO O=C1[C@@H]([NH2+]C2CCCCCCC2)CCCN1c1cccnc1 ZINC000097108623 431961219 /nfs/dbraw/zinc/96/12/19/431961219.db2.gz QGAHLPNAQVFHDF-KRWDZBQOSA-N 1 0 301.434 3.280 50 0 DGAARO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2cc3ccccc3o2)no1 ZINC000097111346 431961553 /nfs/dbraw/zinc/96/15/53/431961553.db2.gz CBVHWMPOQYIALZ-GFCCVEGCSA-N 1 0 313.357 3.409 50 0 DGAARO O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)c1ccccc1F ZINC000097159178 431963127 /nfs/dbraw/zinc/96/31/27/431963127.db2.gz KZDYWAPIEFPWOT-CQSZACIVSA-N 1 0 317.389 3.101 50 0 DGAARO O=C(C[C@H]1CC[NH2+]C1)NCc1cccc(Oc2ccccc2)c1 ZINC000097173005 431964184 /nfs/dbraw/zinc/96/41/84/431964184.db2.gz USFNXGVFZRRAGO-MRXNPFEDSA-N 1 0 310.397 3.095 50 0 DGAARO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)NC3CC3)c(C)c2c1 ZINC000097374477 431967904 /nfs/dbraw/zinc/96/79/04/431967904.db2.gz QUEWSFOEFWUZBN-NEPJUHHUSA-N 1 0 316.401 3.068 50 0 DGAARO CCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000097474945 431969215 /nfs/dbraw/zinc/96/92/15/431969215.db2.gz YJASILIIPDAIDD-HNNXBMFYSA-N 1 0 324.852 3.181 50 0 DGAARO c1ccc(COc2ccc(-c3nc4c([nH]3)C[NH2+]CC4)cc2)cc1 ZINC000097547814 431970232 /nfs/dbraw/zinc/97/02/32/431970232.db2.gz UXDWQFAQLHEKCS-UHFFFAOYSA-N 1 0 305.381 3.301 50 0 DGAARO Cc1c[nH+]ccc1N1CCN(Cc2c(F)ccc(F)c2F)CC1 ZINC000097553276 431970443 /nfs/dbraw/zinc/97/04/43/431970443.db2.gz LSCNMEMHAUCJPI-UHFFFAOYSA-N 1 0 321.346 3.130 50 0 DGAARO COCC[N@H+](Cc1sccc1C)Cc1ccc(OC)c(O)c1 ZINC000055386202 431981410 /nfs/dbraw/zinc/98/14/10/431981410.db2.gz HCRGGOOMMNREHX-UHFFFAOYSA-N 1 0 321.442 3.419 50 0 DGAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccccc1 ZINC000055405271 431981519 /nfs/dbraw/zinc/98/15/19/431981519.db2.gz BTMDDCNPVWZPLY-ZIAGYGMSSA-N 1 0 310.388 3.015 50 0 DGAARO CSCc1cccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000102716272 431997013 /nfs/dbraw/zinc/99/70/13/431997013.db2.gz GMJSVWROFBAOKE-INIZCTEOSA-N 1 0 317.458 3.028 50 0 DGAARO Cc1cccc(C[NH+]2CCN(c3cc(Cl)nc(C)n3)CC2)c1 ZINC000060372185 431998762 /nfs/dbraw/zinc/99/87/62/431998762.db2.gz FGGOBRDTIGTEIL-UHFFFAOYSA-N 1 0 316.836 3.069 50 0 DGAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc2cccnc21 ZINC000249680159 432353647 /nfs/dbraw/zinc/35/36/47/432353647.db2.gz AKTFQKDEELBRMH-ZWKOTPCHSA-N 1 0 323.440 3.324 50 0 DGAARO O=C(c1ccc(F)cc1)C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000192461171 432376779 /nfs/dbraw/zinc/37/67/79/432376779.db2.gz LNQKWFVMQNQASU-UHFFFAOYSA-N 1 0 318.436 3.206 50 0 DGAARO CSCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252485881 432378218 /nfs/dbraw/zinc/37/82/18/432378218.db2.gz BIHHLAJTWWDWQH-OLZOCXBDSA-N 1 0 305.365 3.176 50 0 DGAARO CN1CC[C@H]([NH2+]Cc2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252477278 432378440 /nfs/dbraw/zinc/37/84/40/432378440.db2.gz LELRQQNRHZALPD-DLBZAZTESA-N 1 0 319.811 3.409 50 0 DGAARO CC(C)Cc1cccc([C@@H](C)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000252489248 432379643 /nfs/dbraw/zinc/37/96/43/432379643.db2.gz JMOGACGRTNQHEA-OAHLLOKOSA-N 1 0 302.462 3.199 50 0 DGAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC(F)F)cc1 ZINC000252512073 432381130 /nfs/dbraw/zinc/38/11/30/432381130.db2.gz MDIXIPMADCBKCO-CABCVRRESA-N 1 0 310.388 3.347 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1ccoc1C1CC1)Cc1ccccc1 ZINC000252509326 432381509 /nfs/dbraw/zinc/38/15/09/432381509.db2.gz YLBYUJUNPRCISF-INIZCTEOSA-N 1 0 312.413 3.060 50 0 DGAARO CC(C)(O)CCc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000252504708 432381972 /nfs/dbraw/zinc/38/19/72/432381972.db2.gz DDSQERCNHIGEBW-IBGZPJMESA-N 1 0 316.489 3.060 50 0 DGAARO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccccc1SC1CCCC1 ZINC000252548993 432382395 /nfs/dbraw/zinc/38/23/95/432382395.db2.gz QOTDGHNBLKHPSI-ZDUSSCGKSA-N 1 0 320.458 3.038 50 0 DGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cscn1 ZINC000252517775 432383158 /nfs/dbraw/zinc/38/31/58/432383158.db2.gz QWBDBTSRRWQFPY-CRAIPNDOSA-N 1 0 315.486 3.486 50 0 DGAARO C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccsc1 ZINC000252549495 432383261 /nfs/dbraw/zinc/38/32/61/432383261.db2.gz RJKKNJYGGPSMDZ-BMGDILEWSA-N 1 0 316.470 3.034 50 0 DGAARO c1ccc(C[NH+]2CCC(Nc3nc4ccccc4[nH]3)CC2)nc1 ZINC000253416697 432395244 /nfs/dbraw/zinc/39/52/44/432395244.db2.gz BJRHPMKLZAMJPW-UHFFFAOYSA-N 1 0 307.401 3.034 50 0 DGAARO COc1cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(C)o2)ccc1F ZINC000253417289 432395574 /nfs/dbraw/zinc/39/55/74/432395574.db2.gz XIJDQQWNWWUYGH-PXAZEXFGSA-N 1 0 307.365 3.294 50 0 DGAARO C[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CCO1 ZINC000253416489 432395627 /nfs/dbraw/zinc/39/56/27/432395627.db2.gz HFGFZPGAAIKVJE-VHSXEESVSA-N 1 0 307.287 3.381 50 0 DGAARO Cc1ncc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)s1 ZINC000253425670 432395766 /nfs/dbraw/zinc/39/57/66/432395766.db2.gz VAUANDHOBHZRJB-AWEZNQCLSA-N 1 0 313.426 3.076 50 0 DGAARO Cn1ncnc1C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253416747 432395886 /nfs/dbraw/zinc/39/58/86/432395886.db2.gz PHPDGFUUOQYDAC-KBPBESRZSA-N 1 0 324.350 3.260 50 0 DGAARO Cn1ncnc1C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000253416748 432396580 /nfs/dbraw/zinc/39/65/80/432396580.db2.gz PHPDGFUUOQYDAC-KGLIPLIRSA-N 1 0 324.350 3.260 50 0 DGAARO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCc4ccnn4C)C3)nc2c1 ZINC000253421479 432396586 /nfs/dbraw/zinc/39/65/86/432396586.db2.gz WJPOPHZRSPZOLF-HNNXBMFYSA-N 1 0 323.444 3.027 50 0 DGAARO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000193124972 432452062 /nfs/dbraw/zinc/45/20/62/432452062.db2.gz FAKMXCNHEZWDFT-YJBOKZPZSA-N 1 0 301.478 3.460 50 0 DGAARO CN(C)c1cccc([C@H]2CCCN2C(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000153938269 432458309 /nfs/dbraw/zinc/45/83/09/432458309.db2.gz MUSQCINNDYPJFA-MOPGFXCFSA-N 1 0 323.440 3.116 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)c2ccoc2)CC1 ZINC000257179954 432416300 /nfs/dbraw/zinc/41/63/00/432416300.db2.gz DBNJCBYZXVRTSL-QGZVFWFLSA-N 1 0 304.434 3.396 50 0 DGAARO CCOc1ccc(C[NH+]2CCC3(CC[C@@H]3O)CC2)cc1OCC ZINC000257187690 432416938 /nfs/dbraw/zinc/41/69/38/432416938.db2.gz LZDNMXAXYZBCBJ-SFHVURJKSA-N 1 0 319.445 3.221 50 0 DGAARO CN(C)[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccco1 ZINC000154106793 432472896 /nfs/dbraw/zinc/47/28/96/432472896.db2.gz AZTCWQTZGRGTAW-GOSISDBHSA-N 1 0 313.445 3.141 50 0 DGAARO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194256816 432536301 /nfs/dbraw/zinc/53/63/01/432536301.db2.gz JVKZWBUIPRTYEI-QGZVFWFLSA-N 1 0 324.509 3.208 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000194315928 432542031 /nfs/dbraw/zinc/54/20/31/432542031.db2.gz GDOMZNXBPWQDPX-IBGZPJMESA-N 1 0 308.425 3.208 50 0 DGAARO Cc1ccc(SCCN(C)C(=O)C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000216204170 432647850 /nfs/dbraw/zinc/64/78/50/432647850.db2.gz CHOKWUPOWDEXAM-MRXNPFEDSA-N 1 0 320.502 3.420 50 0 DGAARO C[NH2+]CC(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 ZINC000195543340 432626676 /nfs/dbraw/zinc/62/66/76/432626676.db2.gz AQOMNYTXTOLFQR-UHFFFAOYSA-N 1 0 318.348 3.093 50 0 DGAARO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1Br ZINC000195540962 432626968 /nfs/dbraw/zinc/62/69/68/432626968.db2.gz HUGRIPKOJPJTLL-QWRGUYRKSA-N 1 0 318.280 3.214 50 0 DGAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000195541084 432627016 /nfs/dbraw/zinc/62/70/16/432627016.db2.gz VJVNDDABPNKQBI-BHYGNILZSA-N 1 0 304.434 3.259 50 0 DGAARO COc1cc(Cl)cc(C[N@H+](C)CC2CCOCC2)c1OC ZINC000216028582 432648189 /nfs/dbraw/zinc/64/81/89/432648189.db2.gz SRCRGYDLGYIYEP-UHFFFAOYSA-N 1 0 313.825 3.216 50 0 DGAARO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1Cc2ccccc2O1 ZINC000215423382 432642110 /nfs/dbraw/zinc/64/21/10/432642110.db2.gz BVTJZZZPXUIYKX-HNNXBMFYSA-N 1 0 309.369 3.105 50 0 DGAARO C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCOC(C)(C)C1 ZINC000215430049 432642730 /nfs/dbraw/zinc/64/27/30/432642730.db2.gz WSUDUQQPNBBLNG-GFCCVEGCSA-N 1 0 305.397 3.339 50 0 DGAARO c1cn(C[C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)cn1 ZINC000215575214 432644419 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ZINC000216420460 432650356 /nfs/dbraw/zinc/65/03/56/432650356.db2.gz YBSHPTWDXLMQCI-INIZCTEOSA-N 1 0 300.402 3.244 50 0 DGAARO Cc1cc(-n2cccn2)ccc1C[N@H+](C)CCC1(O)CCCC1 ZINC000216542575 432651207 /nfs/dbraw/zinc/65/12/07/432651207.db2.gz INVYDKRSQXUAIZ-UHFFFAOYSA-N 1 0 313.445 3.308 50 0 DGAARO CC[C@H](c1ccccn1)N(C)Cc1cc2c(cc1OC)OCO2 ZINC000216535616 432651270 /nfs/dbraw/zinc/65/12/70/432651270.db2.gz UQGFXTNSKGGDJC-OAHLLOKOSA-N 1 0 314.385 3.402 50 0 DGAARO O=C(N[C@@H]1COc2ccccc21)C1([NH+]2CCCC2)CCCCC1 ZINC000219286249 432661854 /nfs/dbraw/zinc/66/18/54/432661854.db2.gz RMWMWGPWODCLCA-MRXNPFEDSA-N 1 0 314.429 3.035 50 0 DGAARO Cc1cc(F)ccc1CC(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000219439280 432664521 /nfs/dbraw/zinc/66/45/21/432664521.db2.gz SUYQCCCKNCXUAX-HNNXBMFYSA-N 1 0 318.436 3.057 50 0 DGAARO CC(=O)c1cccc(C(=O)NCc2ccccc2-n2ccnc2)c1 ZINC000220115456 432665573 /nfs/dbraw/zinc/66/55/73/432665573.db2.gz WDMJZOMMEZWIHL-UHFFFAOYSA-N 1 0 319.364 3.005 50 0 DGAARO CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000225483240 432693457 /nfs/dbraw/zinc/69/34/57/432693457.db2.gz QRGUZWSRBHAAQW-ROUUACIJSA-N 1 0 314.473 3.294 50 0 DGAARO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccccc1 ZINC000225845657 432700793 /nfs/dbraw/zinc/70/07/93/432700793.db2.gz VHQHEQNRFPSJPC-ZYSHUDEJSA-N 1 0 323.440 3.049 50 0 DGAARO CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000229487914 432722192 /nfs/dbraw/zinc/72/21/92/432722192.db2.gz LEUHXAYTWNNPRS-CJNGLKHVSA-N 1 0 321.442 3.228 50 0 DGAARO CC(C)(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000229782013 432723362 /nfs/dbraw/zinc/72/33/62/432723362.db2.gz AYHIUIRSTMKVHO-IRXDYDNUSA-N 1 0 300.446 3.097 50 0 DGAARO Fc1cc(CN2CCS[C@H]3COCC[C@H]32)ccc1Cl ZINC000230090878 432724202 /nfs/dbraw/zinc/72/42/02/432724202.db2.gz XAPOTEFDGMNPIU-KGLIPLIRSA-N 1 0 301.814 3.185 50 0 DGAARO CC(C)c1ccccc1NC(=O)C[C@@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000221909497 432670526 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CC[C@H](C(=O)Nc1ccccc1)[N@H+](C)CCc1scnc1C ZINC000243892749 432819858 /nfs/dbraw/zinc/81/98/58/432819858.db2.gz AKNBSEYKCXGFRD-OAHLLOKOSA-N 1 0 317.458 3.343 50 0 DGAARO c1cn(C2CC2)c(CN2CCC([NH+]3CCCCCC3)CC2)n1 ZINC000244674019 432822481 /nfs/dbraw/zinc/82/24/81/432822481.db2.gz HZWWDDNRHKFSTR-UHFFFAOYSA-N 1 0 302.466 3.058 50 0 DGAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccccn1)Nc1cccc(F)c1 ZINC000244701281 432822859 /nfs/dbraw/zinc/82/28/59/432822859.db2.gz KDGRVQRCHRPFML-KRWDZBQOSA-N 1 0 313.376 3.386 50 0 DGAARO Cc1ccc(C)c(N2CC[NH+](CCCc3cccnc3)CC2)c1 ZINC000244811355 432823219 /nfs/dbraw/zinc/82/32/19/432823219.db2.gz SBKZZRMUUUTVOT-UHFFFAOYSA-N 1 0 309.457 3.453 50 0 DGAARO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000245383893 432825958 /nfs/dbraw/zinc/82/59/58/432825958.db2.gz SFPFDTJFKBPYIZ-ZNMIVQPWSA-N 1 0 306.475 3.390 50 0 DGAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CCc2ccccc2)C1 ZINC000179003506 432794722 /nfs/dbraw/zinc/79/47/22/432794722.db2.gz LZRMSNISEMOYFQ-GOSISDBHSA-N 1 0 322.452 3.153 50 0 DGAARO C[N@H+](CCc1ccc(Br)cc1)[C@@H]1CCCC[C@H]1O ZINC000245644539 432853409 /nfs/dbraw/zinc/85/34/09/432853409.db2.gz SXOQMRVJOCWDSH-HUUCEWRRSA-N 1 0 312.251 3.227 50 0 DGAARO Cc1cscc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333200707 433039248 /nfs/dbraw/zinc/03/92/48/433039248.db2.gz XRECNKHPAODXDN-UHFFFAOYSA-N 1 0 319.474 3.332 50 0 DGAARO Clc1cccc([C@@H]2CCCN2CC[N@@H+]2CCCOCC2)c1 ZINC000361291027 433087066 /nfs/dbraw/zinc/08/70/66/433087066.db2.gz VFPRDKMFDZFSTI-KRWDZBQOSA-N 1 0 308.853 3.199 50 0 DGAARO O=C(C[C@H]1CC[NH2+]C1)NCC1(c2ccccc2)CCCCC1 ZINC000299774955 433380732 /nfs/dbraw/zinc/38/07/32/433380732.db2.gz IODWULPMPIVSQU-MRXNPFEDSA-N 1 0 300.446 3.004 50 0 DGAARO O=C(NCC1(c2cccc(F)c2)CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000299801439 433390090 /nfs/dbraw/zinc/39/00/90/433390090.db2.gz YHIQSGRCSDOPIU-OAHLLOKOSA-N 1 0 318.436 3.143 50 0 DGAARO COc1ccc(Cn2cc(-c3ccc(N(C)C)nc3)cn2)cc1 ZINC000426373886 433477354 /nfs/dbraw/zinc/47/73/54/433477354.db2.gz 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DGAARO Cc1ccc(C(=O)N2CCC[C@H](Cn3c(C)c[nH+]c3C)C2)s1 ZINC000575547520 1092046770 /nfs/dbraw/zinc/04/67/70/1092046770.db2.gz HEIUETJFBKEOFI-HNNXBMFYSA-N 1 0 317.458 3.422 50 0 DGAARO O=C(Cc1cccc(F)c1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581787994 1092270437 /nfs/dbraw/zinc/27/04/37/1092270437.db2.gz NHIMDSRSPCRMCT-MRXNPFEDSA-N 1 0 318.436 3.093 50 0 DGAARO O=C(Cc1cccc(F)c1)N1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000581788034 1092273128 /nfs/dbraw/zinc/27/31/28/1092273128.db2.gz QBUQXXZKZURPPZ-SFHVURJKSA-N 1 0 318.436 3.235 50 0 DGAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000581807735 1092279847 /nfs/dbraw/zinc/27/98/47/1092279847.db2.gz NNTFNEXUQAWJDX-KRWDZBQOSA-N 1 0 309.413 3.005 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000581806869 1092279960 /nfs/dbraw/zinc/27/99/60/1092279960.db2.gz BOTSNZHOEAVCQT-CQSZACIVSA-N 1 0 313.401 3.214 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000581806835 1092280725 /nfs/dbraw/zinc/28/07/25/1092280725.db2.gz ANJYGIZGUCZFIM-OAHLLOKOSA-N 1 0 324.428 3.016 50 0 DGAARO COCc1ncc(C)n1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581808012 1092282015 /nfs/dbraw/zinc/28/20/15/1092282015.db2.gz OTHMHUHTSHQLKV-GOSISDBHSA-N 1 0 313.445 3.250 50 0 DGAARO Fc1ccc(-c2n[nH]c3c2C[N@@H+]([C@H]2CCSC2)CC3)cc1F ZINC000045962884 1092709409 /nfs/dbraw/zinc/70/94/09/1092709409.db2.gz JQTGCEZGSPNFSX-NSHDSACASA-N 1 0 321.396 3.219 50 0 DGAARO C[NH+](C)CCc1ccc(NC(=O)C2(c3ccncc3)CCC2)cc1 ZINC000585122162 1095017464 /nfs/dbraw/zinc/01/74/64/1095017464.db2.gz OUUFAYBUXLYDOF-UHFFFAOYSA-N 1 0 323.440 3.246 50 0 DGAARO CC(C)c1nccn1CCC[NH2+][C@H](C)CN1CCCCCC1 ZINC000952860389 1096781795 /nfs/dbraw/zinc/78/17/95/1096781795.db2.gz OIXVQISYPPRRLE-QGZVFWFLSA-N 1 0 306.498 3.251 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000095475434 185373224 /nfs/dbraw/zinc/37/32/24/185373224.db2.gz GZLXZPDWBSSNQV-GFCCVEGCSA-N 1 0 305.809 3.035 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c2cc(Cl)ccc12 ZINC000095479709 185373507 /nfs/dbraw/zinc/37/35/07/185373507.db2.gz FDKWGWDCZDMGTR-CYBMUJFWSA-N 1 0 319.836 3.046 50 0 DGAARO Cn1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000095478976 185373599 /nfs/dbraw/zinc/37/35/99/185373599.db2.gz DEXPQBVDUUUWMG-UHFFFAOYSA-N 1 0 313.445 3.217 50 0 DGAARO C/C=C/CC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095512297 185376636 /nfs/dbraw/zinc/37/66/36/185376636.db2.gz PCGOKOOUIDOXSA-WHLIDYPQSA-N 1 0 312.457 3.433 50 0 DGAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1F ZINC000095452913 282114106 /nfs/dbraw/zinc/11/41/06/282114106.db2.gz BMMSPHHXCNLZDP-CYBMUJFWSA-N 1 0 311.376 3.303 50 0 DGAARO FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)[nH]n1 ZINC000078901080 185126173 /nfs/dbraw/zinc/12/61/73/185126173.db2.gz FEVXRKSOTJLEHX-GFCCVEGCSA-N 1 0 310.323 3.203 50 0 DGAARO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(NS(C)(=O)=O)cc1 ZINC000078921925 185129334 /nfs/dbraw/zinc/12/93/34/185129334.db2.gz 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ZINC000089977215 185273115 /nfs/dbraw/zinc/27/31/15/185273115.db2.gz PXDWYCSTCDTLFA-QGZVFWFLSA-N 1 0 317.408 3.397 50 0 DGAARO CCOCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089988658 185274995 /nfs/dbraw/zinc/27/49/95/185274995.db2.gz UPIYNTCYTPKEOL-WMLDXEAASA-N 1 0 319.449 3.027 50 0 DGAARO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCSC2)s1 ZINC000092766496 185338879 /nfs/dbraw/zinc/33/88/79/185338879.db2.gz SAVDODUXVKAUEW-CMPLNLGQSA-N 1 0 300.493 3.187 50 0 DGAARO c1ccc(CCCC[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000082134434 192361071 /nfs/dbraw/zinc/36/10/71/192361071.db2.gz SDULIYBGRVZIRI-SFHVURJKSA-N 1 0 303.446 3.327 50 0 DGAARO COc1c(C[NH+]2CCC(OC3CCCCC3)CC2)c(C)nn1C ZINC000092736113 185337402 /nfs/dbraw/zinc/33/74/02/185337402.db2.gz ZSRUVKUAYJHACS-UHFFFAOYSA-N 1 0 321.465 3.051 50 0 DGAARO CSCC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000095389789 185351290 /nfs/dbraw/zinc/35/12/90/185351290.db2.gz SLXNGALNGHFUQM-LLVKDONJSA-N 1 0 321.273 3.032 50 0 DGAARO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)c1 ZINC000095420957 185360433 /nfs/dbraw/zinc/36/04/33/185360433.db2.gz RWBONRXEBAHUJQ-CQSZACIVSA-N 1 0 308.425 3.386 50 0 DGAARO C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCN(C)CC1 ZINC000095419525 185359855 /nfs/dbraw/zinc/35/98/55/185359855.db2.gz VWZLMFVLPZDYEH-GFCCVEGCSA-N 1 0 311.267 3.064 50 0 DGAARO C[C@H](Cc1nc2ccccc2s1)[NH2+]C[C@H](O)c1ccco1 ZINC000095419739 185360013 /nfs/dbraw/zinc/36/00/13/185360013.db2.gz YYMOHOUTQOEVLE-YPMHNXCESA-N 1 0 302.399 3.144 50 0 DGAARO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC000095420512 185360081 /nfs/dbraw/zinc/36/00/81/185360081.db2.gz STLKUDJDLBPOJR-NEPJUHHUSA-N 1 0 304.356 3.377 50 0 DGAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)c1 ZINC000095420956 185360557 /nfs/dbraw/zinc/36/05/57/185360557.db2.gz RWBONRXEBAHUJQ-AWEZNQCLSA-N 1 0 308.425 3.386 50 0 DGAARO COc1ccc2c(c1)[C@H]([NH2+]CCc1c(C)noc1C)CCCO2 ZINC000095422128 185360913 /nfs/dbraw/zinc/36/09/13/185360913.db2.gz 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/nfs/dbraw/zinc/39/95/48/185399548.db2.gz ARGQKEVCTCRVHB-UHFFFAOYSA-N 1 0 318.461 3.154 50 0 DGAARO O=C(NCc1ccccc1F)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817939 432009973 /nfs/dbraw/zinc/00/99/73/432009973.db2.gz AGDRUKMJXVKMMV-UHFFFAOYSA-N 1 0 324.399 3.274 50 0 DGAARO C[NH+]1CCC(CNC(=O)CC2=CCCC2)(c2ccccc2)CC1 ZINC000426563125 530049324 /nfs/dbraw/zinc/04/93/24/530049324.db2.gz KHWQBOGLINQUCO-UHFFFAOYSA-N 1 0 312.457 3.267 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000070172977 190866807 /nfs/dbraw/zinc/86/68/07/190866807.db2.gz UNKKWMMFZAGSBC-ZJUUUORDSA-N 1 0 301.217 3.193 50 0 DGAARO Cc1ncc(C[NH2+][C@H](CCO)c2ccccc2)n1-c1ccccc1 ZINC000084046776 192396895 /nfs/dbraw/zinc/39/68/95/192396895.db2.gz DOECFUNGRITEQM-HXUWFJFHSA-N 1 0 321.424 3.394 50 0 DGAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cn1 ZINC000071662962 191000848 /nfs/dbraw/zinc/00/08/48/191000848.db2.gz IXPBDENTYFGLEC-INIZCTEOSA-N 1 0 301.409 3.404 50 0 DGAARO CC(C)N1C[C@H](CC[NH3+])C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769358 191030080 /nfs/dbraw/zinc/03/00/80/191030080.db2.gz PWTYDFVDMFUTEH-IBGZPJMESA-N 1 0 322.452 3.188 50 0 DGAARO CCn1cc(C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000072122421 191040130 /nfs/dbraw/zinc/04/01/30/191040130.db2.gz VKPCUEJYZKBPBQ-OAHLLOKOSA-N 1 0 317.408 3.333 50 0 DGAARO Cc1ccccc1SCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072144181 191050732 /nfs/dbraw/zinc/05/07/32/191050732.db2.gz PWRKUGHCBCFTPH-OAHLLOKOSA-N 1 0 306.475 3.030 50 0 DGAARO Cc1ccc([C@H]2CN(C(=O)C(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072147017 191053279 /nfs/dbraw/zinc/05/32/79/191053279.db2.gz JKWGNZRYGMIXBV-GUDVDZBRSA-N 1 0 312.457 3.040 50 0 DGAARO Cc1c[nH+]ccc1NCCn1ccnc1-c1ccnc(C(C)C)n1 ZINC000072148993 191054144 /nfs/dbraw/zinc/05/41/44/191054144.db2.gz RJJSWIJIBSCPRS-UHFFFAOYSA-N 1 0 322.416 3.279 50 0 DGAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000072191388 191073005 /nfs/dbraw/zinc/07/30/05/191073005.db2.gz 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DGAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019637059 182134461 /nfs/dbraw/zinc/13/44/61/182134461.db2.gz GNLDVAXWJJLACF-RDJZCZTQSA-N 1 0 316.445 3.112 50 0 DGAARO CCOCCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000019737653 182141484 /nfs/dbraw/zinc/14/14/84/182141484.db2.gz IOPBNQPFUVQCRB-UHFFFAOYSA-N 1 0 315.413 3.400 50 0 DGAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCCCC1 ZINC000020102924 182187229 /nfs/dbraw/zinc/18/72/29/182187229.db2.gz OGPCXMMHMWOCIF-UHFFFAOYSA-N 1 0 304.409 3.050 50 0 DGAARO CC(C)c1csc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000020166325 182193829 /nfs/dbraw/zinc/19/38/29/182193829.db2.gz ONILVRUXKXPFQE-CQSZACIVSA-N 1 0 321.490 3.357 50 0 DGAARO CCc1ccc(N2C(=O)C[C@H]([NH2+][C@H](C)c3ccccc3)C2=O)cc1 ZINC000020082273 182185244 /nfs/dbraw/zinc/18/52/44/182185244.db2.gz IUZKATVGXGGGGI-KDOFPFPSSA-N 1 0 322.408 3.232 50 0 DGAARO c1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)n(-c2nccs2)c1 ZINC000020201290 182197000 /nfs/dbraw/zinc/19/70/00/182197000.db2.gz 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ZINC000022853528 182338079 /nfs/dbraw/zinc/33/80/79/182338079.db2.gz VGADPHBIFSYRCK-UHFFFAOYSA-N 1 0 320.481 3.109 50 0 DGAARO CCc1ccc2[nH]c(C)c(CC(=O)NCC[NH+](CC)CC)c2c1 ZINC000023234519 182353865 /nfs/dbraw/zinc/35/38/65/182353865.db2.gz XBAVKVJPHXTVOL-UHFFFAOYSA-N 1 0 315.461 3.039 50 0 DGAARO CC(C)C[NH+](CC(C)C)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023381285 182359523 /nfs/dbraw/zinc/35/95/23/182359523.db2.gz JFVZCXYDXCBNPN-UHFFFAOYSA-N 1 0 323.481 3.203 50 0 DGAARO Cc1ccccc1-c1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000023477151 182361355 /nfs/dbraw/zinc/36/13/55/182361355.db2.gz HXIJVPNDCCJIQY-MRXNPFEDSA-N 1 0 313.470 3.399 50 0 DGAARO CCC(CC)[C@@H](CNC(=O)Nc1cccc(OC)c1)[NH+](C)C ZINC000024989514 182397789 /nfs/dbraw/zinc/39/77/89/182397789.db2.gz PDEBIGFUFLOQDU-MRXNPFEDSA-N 1 0 307.438 3.183 50 0 DGAARO CC1(C)CC(NC(=O)NCc2ccccc2Cl)CC(C)(C)[NH2+]1 ZINC000026180271 182433022 /nfs/dbraw/zinc/43/30/22/182433022.db2.gz NDQUGDYNIVLGGG-UHFFFAOYSA-N 1 0 323.868 3.448 50 0 DGAARO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COC(C)C)o1 ZINC000036097656 182799361 /nfs/dbraw/zinc/79/93/61/182799361.db2.gz LVHOFDHKALQTOU-GOSISDBHSA-N 1 0 317.429 3.376 50 0 DGAARO O=C(/C=C/c1ccccc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038583794 183003837 /nfs/dbraw/zinc/00/38/37/183003837.db2.gz VRIANCQRPCRVGM-CMDGGOBGSA-N 1 0 324.424 3.321 50 0 DGAARO O=C(/C=C/c1ccco1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000040013505 183027975 /nfs/dbraw/zinc/02/79/75/183027975.db2.gz IIMQIXYBBCITAX-DOJUMQAQSA-N 1 0 310.397 3.246 50 0 DGAARO Cc1ccc(-c2cnnc(NCC3([NH+](C)C)CCCCC3)n2)o1 ZINC000039420697 183018970 /nfs/dbraw/zinc/01/89/70/183018970.db2.gz LTCRRURJIGXJMJ-UHFFFAOYSA-N 1 0 315.421 3.116 50 0 DGAARO CC[N@H+](Cc1cccc(C)c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000040091297 183033725 /nfs/dbraw/zinc/03/37/25/183033725.db2.gz UPYPPIHSJFWGSJ-UHFFFAOYSA-N 1 0 321.424 3.333 50 0 DGAARO CCc1cccc(CC)c1NC(=O)NCCC[NH+]1CCCC1 ZINC000040098947 183034855 /nfs/dbraw/zinc/03/48/55/183034855.db2.gz FNMRQWQJCXHTQH-UHFFFAOYSA-N 1 0 303.450 3.419 50 0 DGAARO C[C@H]1CCC[N@H+](CCCCNC(=O)/C=C/c2ccccc2)C1 ZINC000040108163 183036399 /nfs/dbraw/zinc/03/63/99/183036399.db2.gz NNVJUKVKNOTNSW-FLVLSHQESA-N 1 0 300.446 3.328 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000040596150 183106956 /nfs/dbraw/zinc/10/69/56/183106956.db2.gz PKCRJGJQDDWIRR-JTQLQIEISA-N 1 0 301.217 3.065 50 0 DGAARO Cc1csc(CC[NH2+]Cc2c[nH]nc2-c2cccs2)n1 ZINC000042228599 183244847 /nfs/dbraw/zinc/24/48/47/183244847.db2.gz UAJVSSZQTLFOHF-UHFFFAOYSA-N 1 0 304.444 3.235 50 0 DGAARO Cc1noc(C)c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042634752 183292821 /nfs/dbraw/zinc/29/28/21/183292821.db2.gz DTMBQJDCYHVTLC-GOSISDBHSA-N 1 0 300.402 3.237 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000042860455 183315037 /nfs/dbraw/zinc/31/50/37/183315037.db2.gz NIPCNBIHHIQIIN-UHFFFAOYSA-N 1 0 323.868 3.260 50 0 DGAARO O=C(OCc1ccccc1)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000042782920 183309289 /nfs/dbraw/zinc/30/92/89/183309289.db2.gz SHFMIPAQYBLKGY-SFHVURJKSA-N 1 0 311.381 3.174 50 0 DGAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1nccs1 ZINC000043160613 183342269 /nfs/dbraw/zinc/34/22/69/183342269.db2.gz ZWIKAGQWKGCOQM-UHFFFAOYSA-N 1 0 316.430 3.061 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cnc3c(Cl)cccc3c2=O)C1 ZINC000043089100 183335102 /nfs/dbraw/zinc/33/51/02/183335102.db2.gz LDHBXILIVNSRBO-BETUJISGSA-N 1 0 319.836 3.028 50 0 DGAARO CCOC(=O)NCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000043990927 183391881 /nfs/dbraw/zinc/39/18/81/183391881.db2.gz XEJOICQYBHUXTJ-UHFFFAOYSA-N 1 0 322.474 3.367 50 0 DGAARO CN1CC[N@H+](Cc2ccc(C3CCCCC3)s2)C[C@H]1CCO ZINC000104352750 194001127 /nfs/dbraw/zinc/00/11/27/194001127.db2.gz VAKNVOUZEVEYCZ-MRXNPFEDSA-N 1 0 322.518 3.294 50 0 DGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cc2cccs2)C1 ZINC000106137192 194188397 /nfs/dbraw/zinc/18/83/97/194188397.db2.gz VYHWMLKFAZQURS-GDBMZVCRSA-N 1 0 314.454 3.242 50 0 DGAARO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(=O)N1CCc2ccccc21 ZINC000057383654 184036806 /nfs/dbraw/zinc/03/68/06/184036806.db2.gz OWAFKTDKZALUID-UONOGXRCSA-N 1 0 312.388 3.454 50 0 DGAARO C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000058168493 184084110 /nfs/dbraw/zinc/08/41/10/184084110.db2.gz UAVAHIPXGDOUCA-ZDUSSCGKSA-N 1 0 314.816 3.407 50 0 DGAARO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000058146372 184080843 /nfs/dbraw/zinc/08/08/43/184080843.db2.gz HXGMSNLJKIOPPP-ZDUSSCGKSA-N 1 0 316.376 3.432 50 0 DGAARO Cn1nccc1C1CC[NH+](CCCc2nc3ccccc3o2)CC1 ZINC000058345489 184107993 /nfs/dbraw/zinc/10/79/93/184107993.db2.gz VEHWDPALIHZQIT-UHFFFAOYSA-N 1 0 324.428 3.374 50 0 DGAARO CC1CCC([NH+]2CCC(N(C)C(=O)c3cccnc3)CC2)CC1 ZINC000058370338 184109733 /nfs/dbraw/zinc/10/97/33/184109733.db2.gz VNVCXZXHFNOWQS-UHFFFAOYSA-N 1 0 315.461 3.197 50 0 DGAARO O=C(c1ccc2ccccc2n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058282506 184099826 /nfs/dbraw/zinc/09/98/26/184099826.db2.gz OGOXDCDHDRZWBR-UHFFFAOYSA-N 1 0 323.440 3.325 50 0 DGAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccccc1C(F)(F)F ZINC000058296083 184101671 /nfs/dbraw/zinc/10/16/71/184101671.db2.gz CPFVQKIUZAHGBO-RYUDHWBXSA-N 1 0 324.350 3.294 50 0 DGAARO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(F)c(Cl)c1 ZINC000058315923 184104768 /nfs/dbraw/zinc/10/47/68/184104768.db2.gz IHHCAAIKXOCMNA-MNOVXSKESA-N 1 0 308.788 3.068 50 0 DGAARO CC[NH+](CC)Cc1ccccc1NC(=O)NCC[C@H]1CCCO1 ZINC000058393666 184112301 /nfs/dbraw/zinc/11/23/01/184112301.db2.gz ZLDRTXRSZIVJPA-MRXNPFEDSA-N 1 0 319.449 3.219 50 0 DGAARO NC(=[NH2+])NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000058405057 184113745 /nfs/dbraw/zinc/11/37/45/184113745.db2.gz BZLUYRFASXKCMM-ZDUSSCGKSA-N 1 0 312.804 3.436 50 0 DGAARO CCOc1cccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)c1 ZINC000058421754 184116309 /nfs/dbraw/zinc/11/63/09/184116309.db2.gz FWLJSZKCAGJDAF-CYBMUJFWSA-N 1 0 316.449 3.044 50 0 DGAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccoc1 ZINC000060331467 184145915 /nfs/dbraw/zinc/14/59/15/184145915.db2.gz QWTDTSJQCHGNHA-UHFFFAOYSA-N 1 0 316.426 3.389 50 0 DGAARO CSc1ccc(Cl)c(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000061547402 184173972 /nfs/dbraw/zinc/17/39/72/184173972.db2.gz VKHOBCIOXNCYEQ-UHFFFAOYSA-N 1 0 312.866 3.278 50 0 DGAARO O=C(C[C@@H]1C=CCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231216 184223987 /nfs/dbraw/zinc/22/39/87/184223987.db2.gz YLBVRAHUSSSVHW-IEBWSBKVSA-N 1 0 312.457 3.371 50 0 DGAARO CN(Cc1cccc2c1OCO2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000065393527 184334303 /nfs/dbraw/zinc/33/43/03/184334303.db2.gz NDGLPDLMCWUDHN-UHFFFAOYSA-N 1 0 304.434 3.156 50 0 DGAARO O=C1CCCN1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000065394033 184334342 /nfs/dbraw/zinc/33/43/42/184334342.db2.gz UJTTYPDCZUCRJZ-OAHLLOKOSA-N 1 0 312.413 3.267 50 0 DGAARO Cc1ccc2c(c1)c(C[NH2+][C@@H](C)COc1ccccc1)nn2C ZINC000065375517 184331494 /nfs/dbraw/zinc/33/14/94/184331494.db2.gz DLYXDGGVBVLUMR-HNNXBMFYSA-N 1 0 309.413 3.439 50 0 DGAARO CC[NH+](CC)CCNC(=O)c1sc(-c2ccsc2)nc1C ZINC000065412447 184340685 /nfs/dbraw/zinc/34/06/85/184340685.db2.gz NZVXWZCCOPIDBN-UHFFFAOYSA-N 1 0 323.487 3.252 50 0 DGAARO C[C@H](CC(C)(C)O)[NH2+]CCc1nc(-c2ccccc2)cs1 ZINC000065462997 184349810 /nfs/dbraw/zinc/34/98/10/184349810.db2.gz DWWULUJEGQKMFL-CYBMUJFWSA-N 1 0 304.459 3.492 50 0 DGAARO CCn1cc(C2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)cn1 ZINC000065466632 184350378 /nfs/dbraw/zinc/35/03/78/184350378.db2.gz QSFOQWNZFNSXSB-UHFFFAOYSA-N 1 0 317.408 3.430 50 0 DGAARO CCc1ccc(NC(=O)CC[NH2+][C@@H]2COC3(CCCC3)C2)cc1 ZINC000065396885 184335948 /nfs/dbraw/zinc/33/59/48/184335948.db2.gz LPYLSSKMZCACMB-KRWDZBQOSA-N 1 0 316.445 3.269 50 0 DGAARO C[NH2+]CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)c1ccccc1 ZINC000065533555 184361962 /nfs/dbraw/zinc/36/19/62/184361962.db2.gz OYGHACVVNUTSDE-AWEZNQCLSA-N 1 0 300.377 3.135 50 0 DGAARO C/C=C/C=C/C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000065576174 184368333 /nfs/dbraw/zinc/36/83/33/184368333.db2.gz XYQCFAOVDGNYGH-NFEIHLMRSA-N 1 0 304.459 3.209 50 0 DGAARO O[C@@H](C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000065604910 184371586 /nfs/dbraw/zinc/37/15/86/184371586.db2.gz OMEWPFPWQIRGJZ-KDOFPFPSSA-N 1 0 303.352 3.488 50 0 DGAARO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C)nn2C)cc1)C(C)C ZINC000065497359 184354750 /nfs/dbraw/zinc/35/47/50/184354750.db2.gz MLBUNCLBLIVIKN-UHFFFAOYSA-N 1 0 314.433 3.211 50 0 DGAARO Cn1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)c2ccccc21 ZINC000065517766 184358686 /nfs/dbraw/zinc/35/86/86/184358686.db2.gz KUXATTRTRIXMMK-UHFFFAOYSA-N 1 0 321.424 3.387 50 0 DGAARO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000120097477 195096443 /nfs/dbraw/zinc/09/64/43/195096443.db2.gz GVNXWJZLZUIDGY-OAHLLOKOSA-N 1 0 319.424 3.474 50 0 DGAARO Cc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000157744209 197212087 /nfs/dbraw/zinc/21/20/87/197212087.db2.gz HNFJCGZUHOTDSB-AWEZNQCLSA-N 1 0 319.449 3.100 50 0 DGAARO O=C(NCC1CC[NH2+]CC1)C1(c2cccs2)CCCCC1 ZINC000120584681 195194900 /nfs/dbraw/zinc/19/49/00/195194900.db2.gz UHLKAIVKBDINGX-UHFFFAOYSA-N 1 0 306.475 3.066 50 0 DGAARO CN(Cc1ccoc1)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000092028935 256548904 /nfs/dbraw/zinc/54/89/04/256548904.db2.gz MITXHSGCTXBDSW-UHFFFAOYSA-N 1 0 312.413 3.118 50 0 DGAARO Cc1nc(-c2cccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)c2)cs1 ZINC000237425590 257238864 /nfs/dbraw/zinc/23/88/64/257238864.db2.gz FCJDURBDYBHKMR-IAQYHMDHSA-N 1 0 315.442 3.070 50 0 DGAARO COc1ccccc1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000129494 257266401 /nfs/dbraw/zinc/26/64/01/257266401.db2.gz MZPFMJURVPPIKR-UHFFFAOYSA-N 1 0 321.490 3.291 50 0 DGAARO Cc1cc2c(c(-c3ncccc3C(F)(F)F)c1)O[C@@H](C[NH3+])C2 ZINC000067909509 292000616 /nfs/dbraw/zinc/00/06/16/292000616.db2.gz LVPYUQCCRSADNT-LLVKDONJSA-N 1 0 308.303 3.338 50 0 DGAARO c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000090456009 285570383 /nfs/dbraw/zinc/57/03/83/285570383.db2.gz JPMPUHWZCBZPEI-YOEHRIQHSA-N 1 0 309.413 3.303 50 0 DGAARO Cc1c(CN(C)C(=O)CCC[NH+]2CCCC2)[nH]c2ccccc12 ZINC000584891445 400122119 /nfs/dbraw/zinc/12/21/19/400122119.db2.gz XKBHVCFDVWYSLR-UHFFFAOYSA-N 1 0 313.445 3.311 50 0 DGAARO CCOCC1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000584899451 400123379 /nfs/dbraw/zinc/12/33/79/400123379.db2.gz LJTXEIJIISBGPF-GOSISDBHSA-N 1 0 306.425 3.153 50 0 DGAARO Cc1nonc1C[NH2+][C@@H](CCc1ccc(F)cc1)C1CCC1 ZINC000584898956 400123600 /nfs/dbraw/zinc/12/36/00/400123600.db2.gz GGOHYKKXOJJHRL-INIZCTEOSA-N 1 0 303.381 3.408 50 0 DGAARO Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150078 400128992 /nfs/dbraw/zinc/12/89/92/400128992.db2.gz YMXXAYHJYDMZGQ-HNNXBMFYSA-N 1 0 315.442 3.453 50 0 DGAARO Cc1ncc(C[N@@H+]2CCC[C@@H](c3cn[nH]c3)C2)n1-c1ccccc1 ZINC000092809817 400205238 /nfs/dbraw/zinc/20/52/38/400205238.db2.gz GEFIMKWAJDHHBM-MRXNPFEDSA-N 1 0 321.428 3.283 50 0 DGAARO Cc1cc(NCCC[N@H+]2CC=C(c3ccccc3)CC2)n(C)n1 ZINC000096028181 400275714 /nfs/dbraw/zinc/27/57/14/400275714.db2.gz BLYYPLITABJROH-UHFFFAOYSA-N 1 0 310.445 3.320 50 0 DGAARO COCCN1CC2(CCCCC2)[N@H+](CC2CCCCC2)CC1=O ZINC000409420487 400301376 /nfs/dbraw/zinc/30/13/76/400301376.db2.gz VHYWOGLUPDDELG-UHFFFAOYSA-N 1 0 322.493 3.060 50 0 DGAARO CC(C)[N@@H+]1C[C@H](CNC(=O)c2ccco2)C2(C1)CCCCC2 ZINC000409419670 400301634 /nfs/dbraw/zinc/30/16/34/400301634.db2.gz ARIRDKQTWGAOEH-HNNXBMFYSA-N 1 0 304.434 3.300 50 0 DGAARO CC(C)[C@H]1C[N@H+](C)CCN1c1ncnc2c3ccccc3oc21 ZINC000072291278 400378803 /nfs/dbraw/zinc/37/88/03/400378803.db2.gz DCUYBADQUKEBJJ-CQSZACIVSA-N 1 0 310.401 3.152 50 0 DGAARO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(C)cn1)c1ccccc1 ZINC000610953252 400328153 /nfs/dbraw/zinc/32/81/53/400328153.db2.gz XHQRZKWEBHTCHL-QGZVFWFLSA-N 1 0 312.413 3.420 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1csc(C(C)C)n1 ZINC000106789140 400331710 /nfs/dbraw/zinc/33/17/10/400331710.db2.gz ZHSLUELSYYYNBR-JKSUJKDBSA-N 1 0 321.490 3.242 50 0 DGAARO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000072267588 400375830 /nfs/dbraw/zinc/37/58/30/400375830.db2.gz JEPHMHHIRNXBOD-CQSZACIVSA-N 1 0 304.825 3.157 50 0 DGAARO Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000131454166 400550939 /nfs/dbraw/zinc/55/09/39/400550939.db2.gz ZQOZMAPFUMOBQR-HZPDHXFCSA-N 1 0 319.449 3.316 50 0 DGAARO C[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1CCCN1CCOC1=O ZINC000075109385 400560398 /nfs/dbraw/zinc/56/03/98/400560398.db2.gz HQAFTCYKIJCWSG-NVXWUHKLSA-N 1 0 302.418 3.444 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)N1CCCCCCC1 ZINC000053997831 400805475 /nfs/dbraw/zinc/80/54/75/400805475.db2.gz UYQMREOWXHYLMH-UHFFFAOYSA-N 1 0 303.450 3.224 50 0 DGAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccccc3C)C2)CC1 ZINC000169781496 400760876 /nfs/dbraw/zinc/76/08/76/400760876.db2.gz BSDIUZURMAQCMY-IBGZPJMESA-N 1 0 300.446 3.075 50 0 DGAARO COc1c(C)cc(C[NH2+]Cc2ccnc(-n3cccn3)c2)cc1C ZINC000170593131 400763701 /nfs/dbraw/zinc/76/37/01/400763701.db2.gz AGOQPUPIQNPUKI-UHFFFAOYSA-N 1 0 322.412 3.183 50 0 DGAARO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1 ZINC000170616178 400765809 /nfs/dbraw/zinc/76/58/09/400765809.db2.gz MLQPAWTVSUTINW-SNAWJCMRSA-N 1 0 312.360 3.135 50 0 DGAARO Cc1ccsc1C[N@H+](C)C[C@@H](O)COCc1cccs1 ZINC000078345121 400791533 /nfs/dbraw/zinc/79/15/33/400791533.db2.gz JSKICXHOGCCNJG-CYBMUJFWSA-N 1 0 311.472 3.128 50 0 DGAARO Cc1cncc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000079532420 400873307 /nfs/dbraw/zinc/87/33/07/400873307.db2.gz KTHUKVFTVJJWIL-UHFFFAOYSA-N 1 0 323.440 3.047 50 0 DGAARO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2cccc3[nH]ccc32)cn1 ZINC000078880582 400830537 /nfs/dbraw/zinc/83/05/37/400830537.db2.gz WJUVALKYSXEMCN-BEFAXECRSA-N 1 0 324.428 3.252 50 0 DGAARO FC(F)(F)[C@H]1CCc2nnc(C[NH2+]C3CCCCCC3)n2C1 ZINC000078880381 400830565 /nfs/dbraw/zinc/83/05/65/400830565.db2.gz IRRZSUYBXKCTFS-NSHDSACASA-N 1 0 316.371 3.215 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000078897316 400831821 /nfs/dbraw/zinc/83/18/21/400831821.db2.gz YSOZFGXDDQNSPH-IAQYHMDHSA-N 1 0 312.816 3.216 50 0 DGAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000211272017 400944054 /nfs/dbraw/zinc/94/40/54/400944054.db2.gz BHZWPJKSKUHWQP-DMDKVIGKSA-N 1 0 320.458 3.483 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000191092232 400911211 /nfs/dbraw/zinc/91/12/11/400911211.db2.gz UWGVNDOOTVHTNM-RDJZCZTQSA-N 1 0 300.450 3.027 50 0 DGAARO c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000195558707 400924993 /nfs/dbraw/zinc/92/49/93/400924993.db2.gz PSBSVIOEXOWNIZ-QGZVFWFLSA-N 1 0 321.486 3.367 50 0 DGAARO Cc1ccc2c(c1)[C@H]([NH2+]CCc1nnc3ccccn31)[C@@H](C)C2 ZINC000195553429 400925844 /nfs/dbraw/zinc/92/58/44/400925844.db2.gz SQDCJONJRDZIAB-IFXJQAMLSA-N 1 0 306.413 3.103 50 0 DGAARO Cn1cc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2C2=CCCCC2)cn1 ZINC000245316761 401004871 /nfs/dbraw/zinc/00/48/71/401004871.db2.gz KOOBHURFQHPOJW-OKZBNKHCSA-N 1 0 303.450 3.102 50 0 DGAARO CC(C)SCc1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000225473455 400957812 /nfs/dbraw/zinc/95/78/12/400957812.db2.gz DKZOSLFJAVFHAK-MRXNPFEDSA-N 1 0 322.474 3.035 50 0 DGAARO Cc1cncc(C[N@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000225500702 400958029 /nfs/dbraw/zinc/95/80/29/400958029.db2.gz BYOKWTASOPUIMS-SFHVURJKSA-N 1 0 300.377 3.227 50 0 DGAARO CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)C1(C)C ZINC000229550466 400965904 /nfs/dbraw/zinc/96/59/04/400965904.db2.gz NREGRAXTCWAVKI-OAGGEKHMSA-N 1 0 301.434 3.285 50 0 DGAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000084714620 401152362 /nfs/dbraw/zinc/15/23/62/401152362.db2.gz WQZQGTULKCMQNF-GDLVEWKHSA-N 1 0 312.816 3.387 50 0 DGAARO O=C(NC1CC1)[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000063631182 401205622 /nfs/dbraw/zinc/20/56/22/401205622.db2.gz NIPYEECYHMYYOX-GBESFXJTSA-N 1 0 306.409 3.152 50 0 DGAARO Cn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCC[NH+](C)C ZINC000065170612 401259905 /nfs/dbraw/zinc/25/99/05/401259905.db2.gz MDNNJVZFGVUILI-UHFFFAOYSA-N 1 0 319.836 3.027 50 0 DGAARO CCCOc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066159129 401293746 /nfs/dbraw/zinc/29/37/46/401293746.db2.gz VUXSRJQESRUJGC-INIZCTEOSA-N 1 0 317.433 3.177 50 0 DGAARO Cc1cccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624181585 401635674 /nfs/dbraw/zinc/63/56/74/401635674.db2.gz VDCDEUGVPZVMIS-HZPDHXFCSA-N 1 0 303.450 3.087 50 0 DGAARO C[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)c1nccn1C ZINC000097002015 287018703 /nfs/dbraw/zinc/01/87/03/287018703.db2.gz LAUNOLNDVLEDTM-MRXNPFEDSA-N 1 0 304.482 3.260 50 0 DGAARO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccco1 ZINC000096476468 287036983 /nfs/dbraw/zinc/03/69/83/287036983.db2.gz YMWPHQRZTBJWBT-NVXWUHKLSA-N 1 0 300.402 3.004 50 0 DGAARO CCc1csc([C@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)n1 ZINC000193047617 165316722 /nfs/dbraw/zinc/31/67/22/165316722.db2.gz GDOSMUZGYLKKGG-GOEBONIOSA-N 1 0 324.490 3.428 50 0 DGAARO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2nncn2-c2ccccc2)C1 ZINC000129264108 196033972 /nfs/dbraw/zinc/03/39/72/196033972.db2.gz NIGBYKMQTPUVLE-QWHCGFSZSA-N 1 0 324.350 3.478 50 0 DGAARO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000299739224 229372836 /nfs/dbraw/zinc/37/28/36/229372836.db2.gz LZRVSDWRZWVOEZ-MJBXVCDLSA-N 1 0 324.852 3.002 50 0 DGAARO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CCc2cccnc2)cc1 ZINC000192023441 274881859 /nfs/dbraw/zinc/88/18/59/274881859.db2.gz XOHGHXBYGAPZRX-SJORKVTESA-N 1 0 302.805 3.397 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2c(F)cccc2Cl)N1 ZINC000005072124 274943032 /nfs/dbraw/zinc/94/30/32/274943032.db2.gz NFVLGLPQRLGGLL-ZDUSSCGKSA-N 1 0 315.739 3.116 50 0 DGAARO O=C1C[C@]2(CC[N@H+](CCCc3cccnc3)C2)Oc2ccccc21 ZINC000252495905 275021225 /nfs/dbraw/zinc/02/12/25/275021225.db2.gz PDJVROIBRINJRA-FQEVSTJZSA-N 1 0 322.408 3.124 50 0 DGAARO c1ccc2c(c1)oc1c2ncnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000095469695 275071668 /nfs/dbraw/zinc/07/16/68/275071668.db2.gz HCIONTDFXZASLL-ZDUSSCGKSA-N 1 0 308.385 3.051 50 0 DGAARO C/C(=C/c1ccccc1)[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000097998065 275399075 /nfs/dbraw/zinc/39/90/75/275399075.db2.gz YSUVMVPFDVAORU-YUQCYMQKSA-N 1 0 303.369 3.188 50 0 DGAARO CC(=O)N1[C@@H]([NH2+]C2CCCCC2)C[C@@H](C)N1c1ccccc1 ZINC000004723599 275778176 /nfs/dbraw/zinc/77/81/76/275778176.db2.gz ZKJKFUBVDNZNIV-RDTXWAMCSA-N 1 0 301.434 3.297 50 0 DGAARO CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCCn4ccnc43)c2O1 ZINC000084673789 275873258 /nfs/dbraw/zinc/87/32/58/275873258.db2.gz GIEBTHLVZZYQDF-MRXNPFEDSA-N 1 0 311.429 3.264 50 0 DGAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000134015562 275910210 /nfs/dbraw/zinc/91/02/10/275910210.db2.gz RZOPONRKNVQZFV-QAPCUYQASA-N 1 0 321.486 3.313 50 0 DGAARO CCC1(CC)[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[C@@H]1OC ZINC000097034756 276218324 /nfs/dbraw/zinc/21/83/24/276218324.db2.gz REFHWWMASNIYCA-LVQVYYBASA-N 1 0 313.507 3.224 50 0 DGAARO CC[N@@H+]1CCc2c(cccc2NC(=O)N(C)[C@@H]2CCSC2)C1 ZINC000089977371 276236796 /nfs/dbraw/zinc/23/67/96/276236796.db2.gz AEFHLBLXFCPHNP-CQSZACIVSA-N 1 0 319.474 3.034 50 0 DGAARO COc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000047794746 277899146 /nfs/dbraw/zinc/89/91/46/277899146.db2.gz VUOUDPHOGNAMNG-LJQANCHMSA-N 1 0 324.424 3.149 50 0 DGAARO CC(C)(C)OC(=O)N1CCC(CC[NH3+])(c2cccc(F)c2)CC1 ZINC000205360796 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CC(C)[NH+]1CCC(c2nccn2[C@H](C)CCn2cccn2)CC1 ZINC000071405672 431277697 /nfs/dbraw/zinc/27/76/97/431277697.db2.gz OTQZQGZBRAJOFW-MRXNPFEDSA-N 1 0 315.465 3.319 50 0 DGAARO Cc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)CCCC3 ZINC000003173568 431284692 /nfs/dbraw/zinc/28/46/92/431284692.db2.gz POJVHWUKAMKLLE-UHFFFAOYSA-N 1 0 304.463 3.242 50 0 DGAARO C[N@@H+]1CCC[C@H](CSc2nnc(NCc3ccco3)s2)C1 ZINC000071804182 431290082 /nfs/dbraw/zinc/29/00/82/431290082.db2.gz NKIGGWINBOXSCZ-NSHDSACASA-N 1 0 324.475 3.177 50 0 DGAARO CC(C)Oc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000071872758 431305063 /nfs/dbraw/zinc/30/50/63/431305063.db2.gz KJSIPGXHAYJSHB-SFHVURJKSA-N 1 0 303.377 3.436 50 0 DGAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)n1 ZINC000071876059 431305098 /nfs/dbraw/zinc/30/50/98/431305098.db2.gz NDLVNPHIOLAZNE-HNNXBMFYSA-N 1 0 310.401 3.306 50 0 DGAARO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)no2)c1 ZINC000071875586 431305600 /nfs/dbraw/zinc/30/56/00/431305600.db2.gz FJXPNWXTWPKZOS-INIZCTEOSA-N 1 0 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/nfs/dbraw/zinc/34/38/28/431343828.db2.gz IZEXBMZTKSAMGK-HOTGVXAUSA-N 1 0 315.461 3.203 50 0 DGAARO C[C@@H](O)c1ccc(-c2ccc(CNCCC[NH+](C)C)o2)cc1 ZINC000007541043 431352710 /nfs/dbraw/zinc/35/27/10/431352710.db2.gz BUYLLSAXDSXYPX-CQSZACIVSA-N 1 0 302.418 3.041 50 0 DGAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000007734660 431362938 /nfs/dbraw/zinc/36/29/38/431362938.db2.gz SDSRQNYEZJQHEO-UHFFFAOYSA-N 1 0 316.323 3.400 50 0 DGAARO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H]3C=CCC3)cc2)CC1 ZINC000009157341 431424595 /nfs/dbraw/zinc/42/45/95/431424595.db2.gz PBAMKAAPIOCWIF-INIZCTEOSA-N 1 0 313.445 3.123 50 0 DGAARO CS[C@H]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000074120325 431399218 /nfs/dbraw/zinc/39/92/18/431399218.db2.gz SOAXGBJOVPNHGL-HOTGVXAUSA-N 1 0 306.475 3.104 50 0 DGAARO COC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008714039 431405460 /nfs/dbraw/zinc/40/54/60/431405460.db2.gz JXOLXNLDPDQLJQ-UHFFFAOYSA-N 1 0 314.385 3.021 50 0 DGAARO O=C1CC[N@H+](C2CCCC2)CCN1Cc1ccccc1Cl 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CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000076069437 431521990 /nfs/dbraw/zinc/52/19/90/431521990.db2.gz VOQMYPBEMYTIFT-UHFFFAOYSA-N 1 0 317.433 3.008 50 0 DGAARO CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000011916211 431486475 /nfs/dbraw/zinc/48/64/75/431486475.db2.gz UVHPWOGOVFNWHB-UHFFFAOYSA-N 1 0 304.434 3.080 50 0 DGAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000011999494 431487178 /nfs/dbraw/zinc/48/71/78/431487178.db2.gz AIAHMVGWMFMWBD-GFCCVEGCSA-N 1 0 322.355 3.275 50 0 DGAARO Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000012076520 431490800 /nfs/dbraw/zinc/49/08/00/431490800.db2.gz GAXUVCKIYNABLT-IBGZPJMESA-N 1 0 323.440 3.127 50 0 DGAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000012203982 431497950 /nfs/dbraw/zinc/49/79/50/431497950.db2.gz QHXUJUHNIJWIPW-UHFFFAOYSA-N 1 0 318.446 3.049 50 0 DGAARO Cn1ccnc1C[N@@H+]1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000012300995 431501942 /nfs/dbraw/zinc/50/19/42/431501942.db2.gz NQZNHFBGCMVZGW-MRXNPFEDSA-N 1 0 301.409 3.404 50 0 DGAARO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)Cc2cc(=O)c(O)co2)cc1 ZINC000075886576 431505350 /nfs/dbraw/zinc/50/53/50/431505350.db2.gz LFKQHZSRRJGRER-SJORKVTESA-N 1 0 313.397 3.422 50 0 DGAARO Cc1nc(NC(=O)c2ccccc2)sc1C[NH+]1CCCC1 ZINC000012422102 431506243 /nfs/dbraw/zinc/50/62/43/431506243.db2.gz SRDIGHLCXDRFQS-UHFFFAOYSA-N 1 0 301.415 3.300 50 0 DGAARO Cc1c(C)n(CC[NH+](C)C)c2nc3c(c(N)c12)CCCCCC3 ZINC000012390659 431507657 /nfs/dbraw/zinc/50/76/57/431507657.db2.gz VJPGKYCUOMUWDK-UHFFFAOYSA-N 1 0 314.477 3.456 50 0 DGAARO CC(=O)N(CC[NH+](C)C)c1nc2c(cc(Cl)cc2C)s1 ZINC000012493178 431511512 /nfs/dbraw/zinc/51/15/12/431511512.db2.gz YDPFBJICOHSQKB-UHFFFAOYSA-N 1 0 311.838 3.173 50 0 DGAARO CSC[C@H](C)[NH+]1CCC(CO)(CCc2ccccc2)CC1 ZINC000013594068 431560263 /nfs/dbraw/zinc/56/02/63/431560263.db2.gz QSOZBKMQMHTXEN-INIZCTEOSA-N 1 0 307.503 3.445 50 0 DGAARO COc1ccc(OCCCSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000012971428 431537553 /nfs/dbraw/zinc/53/75/53/431537553.db2.gz JRFUFLALEWPRFO-HOTGVXAUSA-N 1 0 320.458 3.468 50 0 DGAARO O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/C[NH+]1CCCC1 ZINC000012960038 431538213 /nfs/dbraw/zinc/53/82/13/431538213.db2.gz RXWDJXRBIRGVLN-OPUMOTSWSA-N 1 0 314.429 3.440 50 0 DGAARO COc1cccc2cc(C(=O)NCCC[NH+]3CCCCC3)oc21 ZINC000013646195 431562665 /nfs/dbraw/zinc/56/26/65/431562665.db2.gz NNVCTONDUJUCNQ-UHFFFAOYSA-N 1 0 316.401 3.047 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1F)c1ccsc1 ZINC000013011119 431543318 /nfs/dbraw/zinc/54/33/18/431543318.db2.gz JGUQZYZVCWZZTP-CYBMUJFWSA-N 1 0 310.369 3.059 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1)c1ccsc1 ZINC000013011111 431544079 /nfs/dbraw/zinc/54/40/79/431544079.db2.gz PUSGVBZNFUKNRB-CQSZACIVSA-N 1 0 308.834 3.434 50 0 DGAARO Cc1cccc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000013011229 431544106 /nfs/dbraw/zinc/54/41/06/431544106.db2.gz LYIYHVKMCKZPHU-INIZCTEOSA-N 1 0 302.443 3.018 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000013326169 431551567 /nfs/dbraw/zinc/55/15/67/431551567.db2.gz BSUUKPMTFAEVPY-UHFFFAOYSA-N 1 0 301.217 3.208 50 0 DGAARO O=C(c1ccccc1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000013324306 431552657 /nfs/dbraw/zinc/55/26/57/431552657.db2.gz CWEHNIRJJLRRKJ-UHFFFAOYSA-N 1 0 306.837 3.431 50 0 DGAARO CSc1ccccc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000013668346 431564133 /nfs/dbraw/zinc/56/41/33/431564133.db2.gz RBCTXFKANMWGNH-UHFFFAOYSA-N 1 0 306.475 3.404 50 0 DGAARO O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000067614087 280110439 /nfs/dbraw/zinc/11/04/39/280110439.db2.gz JDRVZCANCBCXBZ-KZNAEPCWSA-N 1 0 316.420 3.016 50 0 DGAARO Oc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)c(Cl)c1 ZINC000077453543 431597143 /nfs/dbraw/zinc/59/71/43/431597143.db2.gz OFBBKKUUJAXZJA-UHFFFAOYSA-N 1 0 308.853 3.496 50 0 DGAARO CC[C@H]1COCCN1Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000077454530 431598392 /nfs/dbraw/zinc/59/83/92/431598392.db2.gz MPMSEVOVWVVSSF-INIZCTEOSA-N 1 0 308.491 3.345 50 0 DGAARO Cc1ccccc1-c1c[nH]nc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000077486093 431600832 /nfs/dbraw/zinc/60/08/32/431600832.db2.gz VEDTUVOKZJWJKC-UHFFFAOYSA-N 1 0 321.428 3.488 50 0 DGAARO Cc1ncsc1CN1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000077517124 431605023 /nfs/dbraw/zinc/60/50/23/431605023.db2.gz DFHJOBUKDXHHBZ-DLBZAZTESA-N 1 0 315.486 3.290 50 0 DGAARO COc1ccc(C[NH2+]Cc2cnn(-c3ccccc3)c2)cc1OC ZINC000015184014 431604482 /nfs/dbraw/zinc/60/44/82/431604482.db2.gz WOFQJZUNWAJGRU-UHFFFAOYSA-N 1 0 323.396 3.179 50 0 DGAARO Cc1ccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)cc1C ZINC000077404922 431589471 /nfs/dbraw/zinc/58/94/71/431589471.db2.gz AVXAKIAZOQUMQK-IBGZPJMESA-N 1 0 306.413 3.426 50 0 DGAARO Cc1nc2sccn2c1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000077401396 431589844 /nfs/dbraw/zinc/58/98/44/431589844.db2.gz HKERMQYMBDRRNH-UHFFFAOYSA-N 1 0 323.425 3.180 50 0 DGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc2ncccc21 ZINC000014314195 431590869 /nfs/dbraw/zinc/59/08/69/431590869.db2.gz AHKJSZGTUHFGRH-UHFFFAOYSA-N 1 0 319.408 3.226 50 0 DGAARO COc1cc(C)ccc1OCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167696 431621455 /nfs/dbraw/zinc/62/14/55/431621455.db2.gz REFQRQKUKTWIFL-HZPDHXFCSA-N 1 0 307.434 3.272 50 0 DGAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)[NH+]1CCN(C)CC1 ZINC000020192856 431622775 /nfs/dbraw/zinc/62/27/75/431622775.db2.gz BLYAYCLKDQAOOO-HXUWFJFHSA-N 1 0 320.440 3.208 50 0 DGAARO CC[NH+](CC)CCSc1nnc2c3cc(C)ccc3[nH]c2n1 ZINC000021349433 431629497 /nfs/dbraw/zinc/62/94/97/431629497.db2.gz PFTSFWTUBDDYLY-UHFFFAOYSA-N 1 0 315.446 3.248 50 0 DGAARO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000025900413 431666257 /nfs/dbraw/zinc/66/62/57/431666257.db2.gz XVORWAXCJWZPKL-CHWSQXEVSA-N 1 0 317.389 3.060 50 0 DGAARO c1cnn(-c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4)C3)cc2)c1 ZINC000025948598 431669351 /nfs/dbraw/zinc/66/93/51/431669351.db2.gz RTZDSWSQTCRQOF-FQEVSTJZSA-N 1 0 319.408 3.446 50 0 DGAARO Cc1cc(F)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171506097 280533323 /nfs/dbraw/zinc/53/33/23/280533323.db2.gz WUAIJTSPTPTYPV-HNNXBMFYSA-N 1 0 305.397 3.226 50 0 DGAARO COc1ccc(C)cc1NC(=O)C[N@H+]([C@H](C)C(C)C)C1CC1 ZINC000026669948 431679011 /nfs/dbraw/zinc/67/90/11/431679011.db2.gz VLHLGVFODJHQIK-CQSZACIVSA-N 1 0 304.434 3.451 50 0 DGAARO Cc1cc(N2CCC(C(N)=O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000071908966 280543490 /nfs/dbraw/zinc/54/34/90/280543490.db2.gz GMVBCKVPJIHELT-UHFFFAOYSA-N 1 0 317.820 3.207 50 0 DGAARO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000078642493 431690014 /nfs/dbraw/zinc/69/00/14/431690014.db2.gz RIEXLMZPENQMHX-AWEZNQCLSA-N 1 0 305.447 3.238 50 0 DGAARO Cc1ncc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)s1 ZINC000078890839 431709851 /nfs/dbraw/zinc/70/98/51/431709851.db2.gz GREGXXLUBANQTP-LBPRGKRZSA-N 1 0 304.419 3.092 50 0 DGAARO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1C ZINC000025666504 431662760 /nfs/dbraw/zinc/66/27/60/431662760.db2.gz LSMOWLIFVZSBLO-HXUWFJFHSA-N 1 0 310.441 3.159 50 0 DGAARO O=C(/C=C/c1ccc(F)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030363171 431739215 /nfs/dbraw/zinc/73/92/15/431739215.db2.gz ZRZJMOBALJATAT-JXMROGBWSA-N 1 0 324.399 3.013 50 0 DGAARO Cc1cc(C)cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000030363301 431739597 /nfs/dbraw/zinc/73/95/97/431739597.db2.gz ZXSYJFLPHJUBFU-UHFFFAOYSA-N 1 0 308.425 3.092 50 0 DGAARO CC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000032907378 431798795 /nfs/dbraw/zinc/79/87/95/431798795.db2.gz PVHVHVQSXUICBJ-QGZVFWFLSA-N 1 0 317.433 3.131 50 0 DGAARO CCOc1ccc(C(=O)NC[C@@H](C(C)C)[NH+](CC)CC)cc1 ZINC000032913238 431802099 /nfs/dbraw/zinc/80/20/99/431802099.db2.gz XZLFFLBQZMDBOM-KRWDZBQOSA-N 1 0 306.450 3.182 50 0 DGAARO [NH3+][C@@H]1CCCCN(C(=O)CCc2ccc(-c3cccs3)o2)C1 ZINC000082092017 431804554 /nfs/dbraw/zinc/80/45/54/431804554.db2.gz JZWPVOJPBDBTFS-CYBMUJFWSA-N 1 0 318.442 3.281 50 0 DGAARO Clc1cccc(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000082133959 431805195 /nfs/dbraw/zinc/80/51/95/431805195.db2.gz BACGHQAIYGVEMT-INIZCTEOSA-N 1 0 309.837 3.200 50 0 DGAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000033028452 431805933 /nfs/dbraw/zinc/80/59/33/431805933.db2.gz WGLSNIIEPAMJHS-INIZCTEOSA-N 1 0 306.837 3.393 50 0 DGAARO Cc1cc(F)ccc1NC(=O)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128989 431808125 /nfs/dbraw/zinc/80/81/25/431808125.db2.gz DBVJNALXGUIWBW-UHFFFAOYSA-N 1 0 313.376 3.384 50 0 DGAARO Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000033293574 431811897 /nfs/dbraw/zinc/81/18/97/431811897.db2.gz JGBVCDVKBOAHLX-ZROIWOOFSA-N 1 0 313.382 3.155 50 0 DGAARO Cc1nnc(CCC[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)o1 ZINC000121314389 431768783 /nfs/dbraw/zinc/76/87/83/431768783.db2.gz GSOJIBBHODYPJG-CYBMUJFWSA-N 1 0 306.435 3.085 50 0 DGAARO Cc1csc2c1ncn(CC[C@@H]1CCCC[N@H+]1C(C)C)c2=O ZINC000032592872 431784761 /nfs/dbraw/zinc/78/47/61/431784761.db2.gz UHIFCQIDVCTKKZ-AWEZNQCLSA-N 1 0 319.474 3.419 50 0 DGAARO CCC[NH+](CCC)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000036744606 431840752 /nfs/dbraw/zinc/84/07/52/431840752.db2.gz VVFQXMZURICVEK-UHFFFAOYSA-N 1 0 314.332 3.069 50 0 DGAARO CC[C@H](C)NC(=O)N1CCC(C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000037431968 431846660 /nfs/dbraw/zinc/84/66/60/431846660.db2.gz MFPSSODEZJRVRA-JYJNAYRXSA-N 1 0 309.498 3.184 50 0 DGAARO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc4c(c3)OCO4)c2c1 ZINC000038207976 431854757 /nfs/dbraw/zinc/85/47/57/431854757.db2.gz GNRQVJHOAQLEPM-AWEZNQCLSA-N 1 0 324.380 3.403 50 0 DGAARO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CC2(CO)COC2)cc1 ZINC000089103879 431859757 /nfs/dbraw/zinc/85/97/57/431859757.db2.gz PCZGTBXECORLID-KRWDZBQOSA-N 1 0 303.446 3.130 50 0 DGAARO Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]CC(=O)NC1CCCCC1 ZINC000089591311 431871144 /nfs/dbraw/zinc/87/11/44/431871144.db2.gz BONASKJNHQIESQ-ZDUSSCGKSA-N 1 0 320.481 3.180 50 0 DGAARO C[C@H](c1ccccc1)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000035598338 431832115 /nfs/dbraw/zinc/83/21/15/431832115.db2.gz XGRNMYZBIFHQFK-MRXNPFEDSA-N 1 0 320.440 3.442 50 0 DGAARO CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CCCOC1 ZINC000084774562 431833071 /nfs/dbraw/zinc/83/30/71/431833071.db2.gz OZRQKLZRIDXEBN-SFHVURJKSA-N 1 0 317.477 3.047 50 0 DGAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2)o1 ZINC000036097511 431835089 /nfs/dbraw/zinc/83/50/89/431835089.db2.gz FONATRSYZSRQMI-KRWDZBQOSA-N 1 0 317.429 3.486 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036098384 431835405 /nfs/dbraw/zinc/83/54/05/431835405.db2.gz UEEXKEBBAIXLBJ-RDJZCZTQSA-N 1 0 323.477 3.472 50 0 DGAARO CCC[N@@H+](Cc1ccco1)C[C@H](O)COc1ccccc1C ZINC000036096509 431835567 /nfs/dbraw/zinc/83/55/67/431835567.db2.gz OKJSVBUTRHLPID-INIZCTEOSA-N 1 0 303.402 3.240 50 0 DGAARO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036436188 431839567 /nfs/dbraw/zinc/83/95/67/431839567.db2.gz VLZHKZHVGVXWQY-HZSPNIEDSA-N 1 0 308.853 3.323 50 0 DGAARO CCC[C@@H]1CN(C(=O)c2ccc(OC)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000085479434 431839734 /nfs/dbraw/zinc/83/97/34/431839734.db2.gz JMYQYAJGKYHXGX-UKRRQHHQSA-N 1 0 324.852 3.151 50 0 DGAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048248836 431921329 /nfs/dbraw/zinc/92/13/29/431921329.db2.gz UTTNBJQVAXNPCC-GDBMZVCRSA-N 1 0 307.415 3.056 50 0 DGAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(cccc2F)s1 ZINC000048345066 431924165 /nfs/dbraw/zinc/92/41/65/431924165.db2.gz AARBKNBGDBQWLP-UHFFFAOYSA-N 1 0 308.422 3.358 50 0 DGAARO CC(C)[NH+]1CCC(CC(=O)N2CC[C@H]2c2ccccc2)CC1 ZINC000095381316 431924417 /nfs/dbraw/zinc/92/44/17/431924417.db2.gz UZAIEPRMTYHKHF-SFHVURJKSA-N 1 0 300.446 3.471 50 0 DGAARO CNc1nc(NC[C@@H]2CCOc3ccccc3C2)[nH+]c2c1CCC2 ZINC000095375266 431924498 /nfs/dbraw/zinc/92/44/98/431924498.db2.gz WMOBUTVIVVAWJH-CYBMUJFWSA-N 1 0 324.428 3.060 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(OC)c1 ZINC000095422996 431924651 /nfs/dbraw/zinc/92/46/51/431924651.db2.gz FUJLKBRMWQBHGC-SJKOYZFVSA-N 1 0 321.442 3.324 50 0 DGAARO CCO[C@H]1C[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C12CCC2 ZINC000095423223 431924788 /nfs/dbraw/zinc/92/47/88/431924788.db2.gz YERGNNIBUQSHJG-ICRTXTNUSA-N 1 0 321.383 3.160 50 0 DGAARO C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccc(Cl)cn1 ZINC000048355890 431924991 /nfs/dbraw/zinc/92/49/91/431924991.db2.gz REWTWVSHZXPLCK-UHFFFAOYSA-N 1 0 317.820 3.238 50 0 DGAARO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2sccc2C)c1 ZINC000095422670 431925145 /nfs/dbraw/zinc/92/51/45/431925145.db2.gz JZOIYJWOTDFDCW-BLLLJJGKSA-N 1 0 321.442 3.458 50 0 DGAARO Cn1cccc1C[NH2+]C[C@H]1CCCn2cc(C(C)(C)C)nc21 ZINC000089725148 431875937 /nfs/dbraw/zinc/87/59/37/431875937.db2.gz GJENHFKYOGKLBQ-CQSZACIVSA-N 1 0 300.450 3.186 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(Cl)cccc1Cl ZINC000044670874 431875974 /nfs/dbraw/zinc/87/59/74/431875974.db2.gz LHSAORDNHPFUND-NSHDSACASA-N 1 0 315.244 3.136 50 0 DGAARO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl)c1ccco1 ZINC000089794408 431879751 /nfs/dbraw/zinc/87/97/51/431879751.db2.gz CLXYPTVPUZKBPA-ZFWWWQNUSA-N 1 0 306.793 3.416 50 0 DGAARO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cncc(F)c1 ZINC000089904604 431884579 /nfs/dbraw/zinc/88/45/79/431884579.db2.gz ZPWCXLWSOJOUBP-KBXCAEBGSA-N 1 0 301.409 3.044 50 0 DGAARO C[C@@H](CCSc1ccccc1)[NH+]1CCC(n2cncn2)CC1 ZINC000089895651 431884992 /nfs/dbraw/zinc/88/49/92/431884992.db2.gz KMVNVFBUVZTAQE-HNNXBMFYSA-N 1 0 316.474 3.486 50 0 DGAARO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1cccs1)C1CC1 ZINC000045410089 431885881 /nfs/dbraw/zinc/88/58/81/431885881.db2.gz LSIRGEWEHJORJK-UHFFFAOYSA-N 1 0 319.474 3.049 50 0 DGAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc(F)c2)C1 ZINC000045593144 431888000 /nfs/dbraw/zinc/88/80/00/431888000.db2.gz XGRHETVEGFJERI-OAHLLOKOSA-N 1 0 321.440 3.137 50 0 DGAARO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc(F)c2)C1 ZINC000045593148 431888113 /nfs/dbraw/zinc/88/81/13/431888113.db2.gz XGRHETVEGFJERI-HNNXBMFYSA-N 1 0 321.440 3.137 50 0 DGAARO CCN(CC)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045756497 431889533 /nfs/dbraw/zinc/88/95/33/431889533.db2.gz FJKQIAXMZNZYTJ-UHFFFAOYSA-N 1 0 303.450 3.011 50 0 DGAARO Cc1cccc(-c2noc(C[N@H+](C[C@@H]3CCOC3)C3CC3)n2)c1 ZINC000046091800 431894547 /nfs/dbraw/zinc/89/45/47/431894547.db2.gz KZQRFFGJWPZWKU-AWEZNQCLSA-N 1 0 313.401 3.046 50 0 DGAARO CC1(C)C[C@H]([NH2+]Cc2cccnc2OCC(F)F)C(C)(C)O1 ZINC000090942080 431898852 /nfs/dbraw/zinc/89/88/52/431898852.db2.gz SFEZCQWUICHNLC-LBPRGKRZSA-N 1 0 314.376 3.161 50 0 DGAARO C[C@@H](CNC(=O)c1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000046953653 431903712 /nfs/dbraw/zinc/90/37/12/431903712.db2.gz VBTKLWXJTQZEFS-NEPJUHHUSA-N 1 0 312.816 3.329 50 0 DGAARO CN(Cc1cc(C[NH+]2CCCCC2)cs1)Cc1cnccn1 ZINC000097528934 431970627 /nfs/dbraw/zinc/97/06/27/431970627.db2.gz FYSLOJSJWVNCIK-UHFFFAOYSA-N 1 0 316.474 3.156 50 0 DGAARO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054676655 431972435 /nfs/dbraw/zinc/97/24/35/431972435.db2.gz KCCCOHDUAQMDBE-GFCCVEGCSA-N 1 0 321.808 3.420 50 0 DGAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000097632001 431972574 /nfs/dbraw/zinc/97/25/74/431972574.db2.gz UBKSTBFKQFEVAT-CQSZACIVSA-N 1 0 311.429 3.253 50 0 DGAARO Cc1noc([C@@H]2CCC[N@H+](CCCOc3ccc(F)cc3)C2)n1 ZINC000054676927 431973117 /nfs/dbraw/zinc/97/31/17/431973117.db2.gz WDCATWZPEUAWSB-CQSZACIVSA-N 1 0 319.380 3.166 50 0 DGAARO Cc1cncnc1C1CC[NH+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000097819442 431975291 /nfs/dbraw/zinc/97/52/91/431975291.db2.gz PHEONKHJFPSJOZ-OAHLLOKOSA-N 1 0 303.450 3.170 50 0 DGAARO Cc1nn(-c2ccccc2)c(C)c1CNC1CC[NH+](C2CC2)CC1 ZINC000055043120 431975538 /nfs/dbraw/zinc/97/55/38/431975538.db2.gz QJLAJKCSDVIBGZ-UHFFFAOYSA-N 1 0 324.472 3.206 50 0 DGAARO CCS[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)s1 ZINC000055168669 431977155 /nfs/dbraw/zinc/97/71/55/431977155.db2.gz DATJPFDLRKYOKS-CYBMUJFWSA-N 1 0 314.520 3.088 50 0 DGAARO CCc1nc(C)c(C[N@H+](Cc2ccccc2C)[C@H](CC)CO)[nH]1 ZINC000055255079 431979298 /nfs/dbraw/zinc/97/92/98/431979298.db2.gz TWZPUETXPRCXJN-QGZVFWFLSA-N 1 0 315.461 3.362 50 0 DGAARO Cc1noc(C)c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000095946697 431927055 /nfs/dbraw/zinc/92/70/55/431927055.db2.gz KHTFOQABISCCRI-UHFFFAOYSA-N 1 0 300.402 3.473 50 0 DGAARO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000095961374 431928239 /nfs/dbraw/zinc/92/82/39/431928239.db2.gz AAAGNWPNWQOEHH-XWTMOSNGSA-N 1 0 312.457 3.459 50 0 DGAARO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(SC2CCCC2)cc1 ZINC000095962142 431928759 /nfs/dbraw/zinc/92/87/59/431928759.db2.gz JGXHIPBIJZSXOX-CQSZACIVSA-N 1 0 320.458 3.038 50 0 DGAARO Cc1cnc(CNC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000095961944 431928782 /nfs/dbraw/zinc/92/87/82/431928782.db2.gz ZOVNPDMPRRDXPX-UHFFFAOYSA-N 1 0 301.459 3.206 50 0 DGAARO Cc1cccn2c(CNC3CC(C)(C)[NH2+]C(C)(C)C3)cnc12 ZINC000095961912 431928846 /nfs/dbraw/zinc/92/88/46/431928846.db2.gz QZSQMGIBJKXPBN-UHFFFAOYSA-N 1 0 300.450 3.042 50 0 DGAARO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cncc(F)c1 ZINC000095967849 431929364 /nfs/dbraw/zinc/92/93/64/431929364.db2.gz VUYCHCVDPUQMKS-UGSOOPFHSA-N 1 0 300.377 3.095 50 0 DGAARO CCOc1ccccc1[C@H](CC(C)C)NC(=O)C1CC[NH2+]CC1 ZINC000095971169 431929703 /nfs/dbraw/zinc/92/97/03/431929703.db2.gz PYBAOTIJSHECTA-KRWDZBQOSA-N 1 0 318.461 3.288 50 0 DGAARO CC1(C)C[C@H]([NH2+]Cc2nccn2Cc2ccccc2)C(C)(C)O1 ZINC000095968685 431930120 /nfs/dbraw/zinc/93/01/20/431930120.db2.gz OKBZGLUZLVORQS-INIZCTEOSA-N 1 0 313.445 3.367 50 0 DGAARO Fc1cc(N2CC[C@H]([NH2+]Cc3cncs3)C2)ccc1Cl ZINC000095978250 431930476 /nfs/dbraw/zinc/93/04/76/431930476.db2.gz HPCRFJDHUIEGRP-JTQLQIEISA-N 1 0 311.813 3.304 50 0 DGAARO c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048680987 431930886 /nfs/dbraw/zinc/93/08/86/431930886.db2.gz ZDJMXCXAQOMDFI-GOSISDBHSA-N 1 0 308.429 3.244 50 0 DGAARO COc1ccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2cnc3cnccn23)cc1 ZINC000095982906 431931451 /nfs/dbraw/zinc/93/14/51/431931451.db2.gz FTPFVWFGMFIVKC-RDTXWAMCSA-N 1 0 322.412 3.321 50 0 DGAARO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1ccc(F)c(Cl)c1 ZINC000095984587 431931672 /nfs/dbraw/zinc/93/16/72/431931672.db2.gz UJTCVZGLTGDHHR-SNVBAGLBSA-N 1 0 307.756 3.163 50 0 DGAARO Cc1ncsc1CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000095984283 431931790 /nfs/dbraw/zinc/93/17/90/431931790.db2.gz HUUNJXIAEZSPBW-NSHDSACASA-N 1 0 304.415 3.116 50 0 DGAARO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2nc3ccc(Cl)cc3n2C)C1(C)C ZINC000095989225 431932579 /nfs/dbraw/zinc/93/25/79/431932579.db2.gz OTTKKFMDDJIDBM-UHNFBRDESA-N 1 0 321.852 3.376 50 0 DGAARO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000095990138 431932783 /nfs/dbraw/zinc/93/27/83/431932783.db2.gz UOVXMLIUFUHOAB-HNNXBMFYSA-N 1 0 318.852 3.059 50 0 DGAARO C[C@@H](CCCO)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000095995575 431933286 /nfs/dbraw/zinc/93/32/86/431933286.db2.gz VPUGUCSEJGHPDY-GXTWGEPZSA-N 1 0 316.367 3.035 50 0 DGAARO C[NH+](C)CCN(C(=O)/C=C\c1ccsc1)c1ccccc1 ZINC000096134153 431939857 /nfs/dbraw/zinc/93/98/57/431939857.db2.gz LVQJINNDTOJSCW-HJWRWDBZSA-N 1 0 300.427 3.356 50 0 DGAARO CC(=O)N1CCC[N@H+](CCCc2cccc3ccccc32)CC1 ZINC000096412939 431946950 /nfs/dbraw/zinc/94/69/50/431946950.db2.gz 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/nfs/dbraw/zinc/95/36/67/431953667.db2.gz WKLYDXZGOQTVSG-AWEZNQCLSA-N 1 0 306.454 3.033 50 0 DGAARO Cc1nc2ccccc2nc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052002559 431953801 /nfs/dbraw/zinc/95/38/01/431953801.db2.gz BLOYDTNAXIDPOH-UHFFFAOYSA-N 1 0 324.472 3.389 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCCC2 ZINC000096493349 431954072 /nfs/dbraw/zinc/95/40/72/431954072.db2.gz AZHRFBZNJWBEAJ-DLBZAZTESA-N 1 0 317.477 3.089 50 0 DGAARO CCS[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccncc2)C1 ZINC000096494382 431954592 /nfs/dbraw/zinc/95/45/92/431954592.db2.gz IOQDONBRAXOLRI-HZPDHXFCSA-N 1 0 316.474 3.246 50 0 DGAARO C[C@@H](Cc1ccsc1)NC(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000052524809 431956508 /nfs/dbraw/zinc/95/65/08/431956508.db2.gz MGGATPQORPPXAI-GJZGRUSLSA-N 1 0 323.506 3.100 50 0 DGAARO CC[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccs1 ZINC000097049223 431958271 /nfs/dbraw/zinc/95/82/71/431958271.db2.gz KXKHZAAAJIBRJR-KKUMJFAQSA-N 1 0 321.490 3.325 50 0 DGAARO COc1ccccc1COC1CC[NH+](Cc2ccco2)CC1 ZINC000097051526 431958818 /nfs/dbraw/zinc/95/88/18/431958818.db2.gz KURVMJUTEDJLQA-UHFFFAOYSA-N 1 0 301.386 3.469 50 0 DGAARO C[C@H](C[NH+]1CCC(c2nncn2C)CC1)c1cccc(Cl)c1 ZINC000097103883 431960906 /nfs/dbraw/zinc/96/09/06/431960906.db2.gz PAWPYWBTANGCLN-CYBMUJFWSA-N 1 0 318.852 3.452 50 0 DGAARO Cn1cc(CN[C@@H]2CC[C@@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000097106911 431960923 /nfs/dbraw/zinc/96/09/23/431960923.db2.gz FNVGDSFFIAXCEL-IAGOWNOFSA-N 1 0 304.482 3.040 50 0 DGAARO COc1ccc(Cl)cc1CNCc1c[nH+]ccc1N(C)C ZINC000097115675 431962746 /nfs/dbraw/zinc/96/27/46/431962746.db2.gz BJNSNZMJNBIJNG-UHFFFAOYSA-N 1 0 305.809 3.099 50 0 DGAARO CCC[NH+]1CCC(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000053371393 431963007 /nfs/dbraw/zinc/96/30/07/431963007.db2.gz XPLAMQGZVKHODZ-PBHICJAKSA-N 1 0 318.461 3.326 50 0 DGAARO Cn1c2ccccc2nc(C[N@H+](C)[C@@H]2CCc3ccccc32)c1=O ZINC000097201330 431964021 /nfs/dbraw/zinc/96/40/21/431964021.db2.gz XEVYMMFYUXTREM-GOSISDBHSA-N 1 0 319.408 3.053 50 0 DGAARO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000053561820 431964421 /nfs/dbraw/zinc/96/44/21/431964421.db2.gz KZLSVOXVUUOXPU-GOSISDBHSA-N 1 0 315.461 3.095 50 0 DGAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000053720556 431964660 /nfs/dbraw/zinc/96/46/60/431964660.db2.gz DKOIKYXKQADBBX-AWEZNQCLSA-N 1 0 312.417 3.047 50 0 DGAARO C[NH+]1CCN(Cc2ccc(-c3cc4ccccc4o3)nc2)CC1 ZINC000097217626 431965443 /nfs/dbraw/zinc/96/54/43/431965443.db2.gz JBSIKVIFMPTGNN-UHFFFAOYSA-N 1 0 307.397 3.242 50 0 DGAARO CCn1cc(C2CC[NH+](Cc3nc4ccccc4o3)CC2)cn1 ZINC000097202701 431965462 /nfs/dbraw/zinc/96/54/62/431965462.db2.gz AENZDMGXPBXNOG-UHFFFAOYSA-N 1 0 310.401 3.424 50 0 DGAARO CCC(CC)[C@@H](C[NH2+]Cc1sccc1C)N1CCOCC1 ZINC000097287633 431967163 /nfs/dbraw/zinc/96/71/63/431967163.db2.gz GHLRNZQEVBHVRF-MRXNPFEDSA-N 1 0 310.507 3.283 50 0 DGAARO CCOCc1cc(C[N@@H+]2CCCC[C@H]2COC)ccc1OC ZINC000097307876 431967197 /nfs/dbraw/zinc/96/71/97/431967197.db2.gz SKXPCXVNQFWNSF-KRWDZBQOSA-N 1 0 307.434 3.233 50 0 DGAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC000097301236 431967237 /nfs/dbraw/zinc/96/72/37/431967237.db2.gz YGRGXMVQBHXWBH-KGLIPLIRSA-N 1 0 300.427 3.002 50 0 DGAARO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(c2nncn2C)CC1 ZINC000097370753 431967653 /nfs/dbraw/zinc/96/76/53/431967653.db2.gz DBFLXMRLQMLZCK-AWEZNQCLSA-N 1 0 316.424 3.155 50 0 DGAARO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3ccccc3)c2cc1O ZINC000054105939 431967658 /nfs/dbraw/zinc/96/76/58/431967658.db2.gz PHKVHRNLUBIQSK-UHFFFAOYSA-N 1 0 309.365 3.439 50 0 biogenic DGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000055385722 431981219 /nfs/dbraw/zinc/98/12/19/431981219.db2.gz FKHLUNLHQOONRB-CQSZACIVSA-N 1 0 310.401 3.436 50 0 DGAARO C[C@@H]1COCCN1CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000248983816 432332572 /nfs/dbraw/zinc/33/25/72/432332572.db2.gz DRQSBZCXPBDRFM-PBHICJAKSA-N 1 0 308.853 3.198 50 0 DGAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000249693953 432353682 /nfs/dbraw/zinc/35/36/82/432353682.db2.gz OHXRVPGZJIBAHO-RBUKOAKNSA-N 1 0 323.440 3.324 50 0 DGAARO O[C@@H](c1ccccn1)C1CC[NH+](CCCc2ccco2)CC1 ZINC000252482268 432377547 /nfs/dbraw/zinc/37/75/47/432377547.db2.gz DBXGNTUWDRLFCB-GOSISDBHSA-N 1 0 300.402 3.053 50 0 DGAARO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000252483722 432378999 /nfs/dbraw/zinc/37/89/99/432378999.db2.gz FHIFAZOCVDOIQV-ZDUSSCGKSA-N 1 0 313.401 3.117 50 0 DGAARO Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CCOCC3)C2)c(C)c1 ZINC000252488676 432379414 /nfs/dbraw/zinc/37/94/14/432379414.db2.gz IWQSQFDUYWMLPR-UHFFFAOYSA-N 1 0 316.445 3.135 50 0 DGAARO c1cc([C@@H]2CCC[N@@H+](Cc3cncn3C3CCCCC3)C2)n[nH]1 ZINC000252488741 432380398 /nfs/dbraw/zinc/38/03/98/432380398.db2.gz IXRXWQPUOGTUFJ-OAHLLOKOSA-N 1 0 313.449 3.491 50 0 DGAARO COc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000252515855 432382691 /nfs/dbraw/zinc/38/26/91/432382691.db2.gz OEHIHDXWQHCODQ-ZWKOTPCHSA-N 1 0 324.424 3.288 50 0 DGAARO CC(C)NC(=O)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000252533215 432383218 /nfs/dbraw/zinc/38/32/18/432383218.db2.gz GGGUWVGCGKLLOD-KRWDZBQOSA-N 1 0 322.493 3.105 50 0 DGAARO C[C@H](c1ccccn1)[N@H+](C)CC[C@H]1CCCCC12OCCO2 ZINC000252585802 432383496 /nfs/dbraw/zinc/38/34/96/432383496.db2.gz LEVIVGLUNPERDV-HZPDHXFCSA-N 1 0 304.434 3.398 50 0 DGAARO Cc1cc(N2CCC(CNC(=O)[C@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000253408692 432391152 /nfs/dbraw/zinc/39/11/52/432391152.db2.gz YMRDDEAVQAZOSL-KRWDZBQOSA-N 1 0 313.445 3.079 50 0 DGAARO COc1cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(C)o2)ccc1F ZINC000253417292 432395418 /nfs/dbraw/zinc/39/54/18/432395418.db2.gz XIJDQQWNWWUYGH-SJKOYZFVSA-N 1 0 307.365 3.294 50 0 DGAARO CC(C)N(C)c1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000253418943 432395429 /nfs/dbraw/zinc/39/54/29/432395429.db2.gz CPXCUCZWXNMTKY-UHFFFAOYSA-N 1 0 315.461 3.344 50 0 DGAARO Cn1ncnc1C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000253416750 432396148 /nfs/dbraw/zinc/39/61/48/432396148.db2.gz 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CCCn1ccnc1CN1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000216408739 432650252 /nfs/dbraw/zinc/65/02/52/432650252.db2.gz OMZHUWDRCGGAGD-GOSISDBHSA-N 1 0 318.509 3.235 50 0 DGAARO CC[N@H+](CCn1cccn1)Cc1ccc([C@H]2CCCO2)s1 ZINC000216405143 432650700 /nfs/dbraw/zinc/65/07/00/432650700.db2.gz HJVGRAOEIIFJQA-OAHLLOKOSA-N 1 0 305.447 3.318 50 0 DGAARO Cc1nn(C)c(C)c1[C@@H](C)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000216384263 432650845 /nfs/dbraw/zinc/65/08/45/432650845.db2.gz SYFJAGDRBIKAJN-OAHLLOKOSA-N 1 0 323.444 3.416 50 0 DGAARO Cc1c[nH+]ccc1NCCNC(=O)c1c(F)cccc1Cl ZINC000219088688 432662979 /nfs/dbraw/zinc/66/29/79/432662979.db2.gz KZTMGDXZQSFEJH-UHFFFAOYSA-N 1 0 307.756 3.024 50 0 DGAARO Cc1nc([C@H](C)N(C)C(=O)CCC[NH+]2CCCC2)c(C)s1 ZINC000219792754 432663947 /nfs/dbraw/zinc/66/39/47/432663947.db2.gz GPTDHEHGXXJXFB-LBPRGKRZSA-N 1 0 309.479 3.155 50 0 DGAARO CCS[C@@H]1CC[C@@H](N(C)C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000225476677 432692680 /nfs/dbraw/zinc/69/26/80/432692680.db2.gz 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JWBLWGOBRMXQBX-UHFFFAOYSA-N 1 0 319.836 3.388 50 0 DGAARO COc1cccc([C@H](C)[N@H+](C)CCC(=O)Nc2cccnc2)c1 ZINC000244882813 432824133 /nfs/dbraw/zinc/82/41/33/432824133.db2.gz XZLKLDVIMILUDX-AWEZNQCLSA-N 1 0 313.401 3.112 50 0 DGAARO CC(C)c1ccccc1NC(=O)CC[N@H+](C)CC1(C)COC1 ZINC000244884335 432824203 /nfs/dbraw/zinc/82/42/03/432824203.db2.gz YKIBMCFZWHEYPK-UHFFFAOYSA-N 1 0 304.434 3.107 50 0 DGAARO O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000238100205 432811476 /nfs/dbraw/zinc/81/14/76/432811476.db2.gz VGYPJRLVHFMYID-LBPRGKRZSA-N 1 0 319.474 3.130 50 0 DGAARO COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCO2)cc1OC ZINC000239351893 432814851 /nfs/dbraw/zinc/81/48/51/432814851.db2.gz AAJPCNMFCCQFTH-CVEARBPZSA-N 1 0 305.418 3.410 50 0 DGAARO CCN(C)c1ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)cn1 ZINC000241383503 432815869 /nfs/dbraw/zinc/81/58/69/432815869.db2.gz MVVOCQJEAZFDMB-UHFFFAOYSA-N 1 0 313.420 3.498 50 0 DGAARO C[NH+](C)C[C@H]1CSCC[C@@]1(O)c1ccc(C(F)(F)F)cc1 ZINC000000347746 289218598 /nfs/dbraw/zinc/21/85/98/289218598.db2.gz ADSAQTUAGOVXJN-UONOGXRCSA-N 1 0 319.392 3.208 50 0 DGAARO C[C@@H]([NH2+]CC1(O)CCC1)c1cccc(OCc2ccccn2)c1 ZINC000341652876 433192976 /nfs/dbraw/zinc/19/29/76/433192976.db2.gz CVESCSSHMKFOSC-OAHLLOKOSA-N 1 0 312.413 3.226 50 0 DGAARO CC[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)[C@H]1C[C@@H]1C ZINC000414162562 433433382 /nfs/dbraw/zinc/43/33/82/433433382.db2.gz MCDUCHJFIGFHJU-FSDCSDTHSA-N 1 0 304.434 3.021 50 0 DGAARO C[NH+]1CCC(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000006729736 289884075 /nfs/dbraw/zinc/88/40/75/289884075.db2.gz JVBKHYHTKZAXDV-KOCGSPDRSA-N 1 0 304.478 3.193 50 0 DGAARO Cc1ccc(C)c(CC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000299773559 433380603 /nfs/dbraw/zinc/38/06/03/433380603.db2.gz FSOLISRTNXXAJR-QGZVFWFLSA-N 1 0 314.473 3.227 50 0 DGAARO C[C@H](C(=O)Nc1ccc(F)cc1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000299793778 433385003 /nfs/dbraw/zinc/38/50/03/433385003.db2.gz JASMGWHWTKEYAX-CQSZACIVSA-N 1 0 320.408 3.045 50 0 DGAARO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(Cl)nc1 ZINC000299794877 433385974 /nfs/dbraw/zinc/38/59/74/433385974.db2.gz JXBOCJJZVFFIDG-UHFFFAOYSA-N 1 0 324.856 3.465 50 0 DGAARO CC(=O)N1CCC([N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000426465299 433508993 /nfs/dbraw/zinc/50/89/93/433508993.db2.gz RRWUDOXROKVLBC-SFHVURJKSA-N 1 0 300.446 3.123 50 0 DGAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000097159339 293099888 /nfs/dbraw/zinc/09/98/88/293099888.db2.gz ZOLXORFQQYKNGT-INIZCTEOSA-N 1 0 306.841 3.072 50 0 DGAARO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1nccn1C)CC3 ZINC000378496065 293800930 /nfs/dbraw/zinc/80/09/30/293800930.db2.gz LNAMIWJARIXPEV-KBPBESRZSA-N 1 0 308.429 3.418 50 0 DGAARO Cc1ccc([C@@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)C2CC2)cc1 ZINC000285843312 434084450 /nfs/dbraw/zinc/08/44/50/434084450.db2.gz YNXJRCAUNVWQQP-QGZVFWFLSA-N 1 0 321.486 3.393 50 0 DGAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000408519321 434583706 /nfs/dbraw/zinc/58/37/06/434583706.db2.gz 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549810590 /nfs/dbraw/zinc/81/05/90/549810590.db2.gz JMEGSQRJMALDAO-LJQANCHMSA-N 1 0 320.440 3.490 50 0 DGAARO O=C(c1ccc(Cl)cc1)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575605318 563865073 /nfs/dbraw/zinc/86/50/73/563865073.db2.gz JKBSICSUIJLODI-MRXNPFEDSA-N 1 0 316.788 3.419 50 0 DGAARO CC(C)(C)c1cnc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)s1 ZINC000239722499 575999428 /nfs/dbraw/zinc/99/94/28/575999428.db2.gz CCYPXAQYJLRCLF-CJNGLKHVSA-N 1 0 302.443 3.189 50 0 DGAARO CN(C)C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccccc1 ZINC000888099019 618625768 /nfs/dbraw/zinc/62/57/68/618625768.db2.gz SWNLTHZAVCUFRP-PMACEKPBSA-N 1 0 312.457 3.045 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CC1(n2cccc2)CCCCC1 ZINC000888103932 618626850 /nfs/dbraw/zinc/62/68/50/618626850.db2.gz LYYSGTSWICWBTI-KRWDZBQOSA-N 1 0 317.477 3.138 50 0 DGAARO CC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(OC)n1 ZINC000863983296 621724240 /nfs/dbraw/zinc/72/42/40/621724240.db2.gz FFXQETZFANJFEQ-IAGOWNOFSA-N 1 0 314.429 3.297 50 0 DGAARO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc2c1OCO2 ZINC000863983627 621724779 /nfs/dbraw/zinc/72/47/79/621724779.db2.gz KDYWLRDEWZQDOL-ZBFHGGJFSA-N 1 0 313.397 3.232 50 0 DGAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccn2)C1)Nc1cccc(F)c1 ZINC000799190637 626279421 /nfs/dbraw/zinc/27/94/21/626279421.db2.gz CYNKNYMCTKMIOH-CQSZACIVSA-N 1 0 313.376 3.039 50 0 DGAARO CCCCc1nc(-c2nccn2Cc2ccc(C[NH3+])cc2)c[nH]1 ZINC000072463253 660197731 /nfs/dbraw/zinc/19/77/31/660197731.db2.gz AGYLVNWZUOLYDV-UHFFFAOYSA-N 1 0 309.417 3.123 50 0 DGAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccc2[nH]cnc2c1 ZINC000325093121 660268918 /nfs/dbraw/zinc/26/89/18/660268918.db2.gz PXOBACMKMUJLSR-UHFFFAOYSA-N 1 0 320.396 3.411 50 0 DGAARO CC(C)CCc1nc(CCC[NH3+])n(-c2ccc(F)cc2F)n1 ZINC000952989378 660446751 /nfs/dbraw/zinc/44/67/51/660446751.db2.gz RMCUXFMAQYLHPU-UHFFFAOYSA-N 1 0 308.376 3.025 50 0 DGAARO c1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)c(OC[C@H]2CCOC2)cn1 ZINC000952992690 660447039 /nfs/dbraw/zinc/44/70/39/660447039.db2.gz 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c1[nH]nc2c1C[N@H+](CCc1csc(-c3ccccc3)n1)CC2 ZINC000020534547 658716916 /nfs/dbraw/zinc/71/69/16/658716916.db2.gz JRHRBZBSFXGSSZ-UHFFFAOYSA-N 1 0 310.426 3.134 50 0 DGAARO CCCCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000157097036 658988840 /nfs/dbraw/zinc/98/88/40/658988840.db2.gz SXSKYZAVZDJPRQ-CYBMUJFWSA-N 1 0 300.402 3.083 50 0 DGAARO COc1ccc2oc([C@H](C)[NH2+]CCN3CCCC3=O)c(C)c2c1 ZINC000184340981 660164023 /nfs/dbraw/zinc/16/40/23/660164023.db2.gz XDEABMGHYZEFFN-ZDUSSCGKSA-N 1 0 316.401 3.023 50 0 DGAARO CC(C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000158838547 661879006 /nfs/dbraw/zinc/87/90/06/661879006.db2.gz QXTWGYKHFSLHGU-LJQANCHMSA-N 1 0 316.489 3.490 50 0 DGAARO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc3ccn(C)c32)CC1 ZINC000190039219 662003221 /nfs/dbraw/zinc/00/32/21/662003221.db2.gz ANYHMLFKWUOUSY-UHFFFAOYSA-N 1 0 314.433 3.173 50 0 DGAARO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)[nH]1 ZINC000952973310 662209221 /nfs/dbraw/zinc/20/92/21/662209221.db2.gz 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CCCc1ccc(C[N@@H+]2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)o1 ZINC001529178806 1187539263 /nfs/dbraw/zinc/53/92/63/1187539263.db2.gz PNPRNQWJFRXDLC-KDOFPFPSSA-N 1 0 318.417 3.218 50 0 DGAARO Cc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c2ccccc12 ZINC001529198990 1187540843 /nfs/dbraw/zinc/54/08/43/1187540843.db2.gz RPCLHWDGRILGRV-FGTMMUONSA-N 1 0 322.452 3.495 50 0 DGAARO Cc1cccc(OCC[N@@H+]2CCC[C@]3(CCC[C@H]3O)C2)c1C ZINC001704297594 1202519482 /nfs/dbraw/zinc/51/94/82/1202519482.db2.gz CPUQYTAFTCDNHC-RTBURBONSA-N 1 0 303.446 3.309 50 0 DGAARO Cc1ncc(Cl)c(NCC[N@@H+](C)CCc2ccccc2)n1 ZINC001704330078 1202521325 /nfs/dbraw/zinc/52/13/25/1202521325.db2.gz WIRNTZIJDAQKHD-UHFFFAOYSA-N 1 0 304.825 3.025 50 0 DGAARO Cc1cc(N[C@H]2CC(=O)N(C)C2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC001704342022 1202521589 /nfs/dbraw/zinc/52/15/89/1202521589.db2.gz BZJNRWJPSVCBSK-NSHDSACASA-N 1 0 323.318 3.205 50 0 DGAARO Cc1ccc(C[N@@H+](C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1Cl ZINC001704338253 1202521653 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CC(C)Cc1ccc(CN2CC[NH+](C3CCOCC3)CC2)s1 ZINC000821459803 1091641917 /nfs/dbraw/zinc/64/19/17/1091641917.db2.gz HNZYKNZDRQCCEC-UHFFFAOYSA-N 1 0 322.518 3.243 50 0 DGAARO CC[C@@H](Cc1ccco1)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000822620681 1091666420 /nfs/dbraw/zinc/66/64/20/1091666420.db2.gz VWGKYIIEJKZWNH-LBPRGKRZSA-N 1 0 314.414 3.304 50 0 DGAARO Cn1ccc2cc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)ccc21 ZINC000823709182 1091697219 /nfs/dbraw/zinc/69/72/19/1091697219.db2.gz ATNIGHVVEPKQIC-QGZVFWFLSA-N 1 0 322.408 3.450 50 0 DGAARO c1ccc(N2CC[C@@H]([NH2+]Cc3ccc4nsnc4c3)C2)cc1 ZINC000829069276 1091862743 /nfs/dbraw/zinc/86/27/43/1091862743.db2.gz OASXZYIUAAGMAA-CQSZACIVSA-N 1 0 310.426 3.060 50 0 DGAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000575547613 1092048101 /nfs/dbraw/zinc/04/81/01/1092048101.db2.gz MQBGGGQNOUJTQG-KRWDZBQOSA-N 1 0 322.412 3.459 50 0 DGAARO O=C(Cc1cccc(F)c1)N1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000581788033 1092273238 /nfs/dbraw/zinc/27/32/38/1092273238.db2.gz 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ZINC000585090429 1094996799 /nfs/dbraw/zinc/99/67/99/1094996799.db2.gz MVBRNSBFHSUGQX-HZUKXOBISA-N 1 0 304.415 3.333 50 0 DGAARO C[C@@H]([NH2+]C1CC(O)(C(F)(F)F)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000952848438 1096779687 /nfs/dbraw/zinc/77/96/87/1096779687.db2.gz FWZAWGNOJDZXRD-FOOARHITSA-N 1 0 305.365 3.286 50 0 DGAARO COCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C1CC1 ZINC000952880936 1096785059 /nfs/dbraw/zinc/78/50/59/1096785059.db2.gz MUOYYJMPJRZQSK-SFHVURJKSA-N 1 0 305.418 3.050 50 0 DGAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc[nH+]1 ZINC000077440589 1105559758 /nfs/dbraw/zinc/55/97/58/1105559758.db2.gz QWGCYRRCYNMVNF-IBGZPJMESA-N 1 0 313.445 3.009 50 0 DGAARO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071799341 282082338 /nfs/dbraw/zinc/08/23/38/282082338.db2.gz LMJCCPGFTXAMCF-GOSISDBHSA-N 1 0 307.401 3.009 50 0 DGAARO CSc1ccccc1-c1nc(C)nn1C1CC[NH+](C)CC1 ZINC000095496646 185374001 /nfs/dbraw/zinc/37/40/01/185374001.db2.gz XKVJSMCQKJAYCY-UHFFFAOYSA-N 1 0 302.447 3.242 50 0 DGAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000095503370 185375007 /nfs/dbraw/zinc/37/50/07/185375007.db2.gz ZSZIYLURTGYWMA-CQSZACIVSA-N 1 0 321.371 3.401 50 0 DGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000095527542 185378536 /nfs/dbraw/zinc/37/85/36/185378536.db2.gz MLJFLXGOUXWVAZ-ZDUSSCGKSA-N 1 0 315.339 3.311 50 0 DGAARO CC[C@@H](C(=O)NCCCOc1ccc(C)cc1)[NH+](CC)CC ZINC000078822559 185115185 /nfs/dbraw/zinc/11/51/85/185115185.db2.gz YXWUMLUNJFKWRH-KRWDZBQOSA-N 1 0 306.450 3.001 50 0 DGAARO C[C@H]([NH2+]Cc1ccc2c(c1)nnn2C)c1ccc(F)cc1F ZINC000079093414 185156850 /nfs/dbraw/zinc/15/68/50/185156850.db2.gz ZBBALWLNCNJIDB-JTQLQIEISA-N 1 0 302.328 3.097 50 0 DGAARO Cn1ccc2c1cccc2C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079485551 185173614 /nfs/dbraw/zinc/17/36/14/185173614.db2.gz MISXPDIXBFHNCL-UHFFFAOYSA-N 1 0 313.445 3.217 50 0 DGAARO CCc1nnc([C@H](C)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000328600516 231238129 /nfs/dbraw/zinc/23/81/29/231238129.db2.gz 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/nfs/dbraw/zinc/71/30/50/201713050.db2.gz OZJWWWCJQZMZAX-AWEZNQCLSA-N 1 0 316.474 3.454 50 0 DGAARO Cn1cc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cn1 ZINC000092808568 185343080 /nfs/dbraw/zinc/34/30/80/185343080.db2.gz LMGFSINCYDWKLD-UHFFFAOYSA-N 1 0 321.428 3.190 50 0 DGAARO c1ccc(OCCOC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000095399817 185354064 /nfs/dbraw/zinc/35/40/64/185354064.db2.gz FCJGMRAKGBTART-UHFFFAOYSA-N 1 0 312.413 3.142 50 0 DGAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000095402519 185355043 /nfs/dbraw/zinc/35/50/43/185355043.db2.gz BIXNSERVGIJITQ-VYYLWUJASA-N 1 0 312.457 3.327 50 0 DGAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000095419773 185360094 /nfs/dbraw/zinc/36/00/94/185360094.db2.gz SSWKPRPHSRMTRW-MRXNPFEDSA-N 1 0 306.413 3.486 50 0 DGAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000095420500 185360238 /nfs/dbraw/zinc/36/02/38/185360238.db2.gz WNNDRCJAHWBGGP-GXTWGEPZSA-N 1 0 318.358 3.231 50 0 DGAARO C[C@H]([NH2+]CCOc1ccc2c(c1)CCC(=O)N2)c1ccsc1 ZINC000095420942 185360570 /nfs/dbraw/zinc/36/05/70/185360570.db2.gz ZKRDLZHWVHQSNO-LBPRGKRZSA-N 1 0 316.426 3.362 50 0 DGAARO CC(=O)N1CCC(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000095423684 185361057 /nfs/dbraw/zinc/36/10/57/185361057.db2.gz JATOJGVCYLUMCH-LBPRGKRZSA-N 1 0 310.388 3.264 50 0 DGAARO CC(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000095423785 185361061 /nfs/dbraw/zinc/36/10/61/185361061.db2.gz GZXSMGXMEQWMOD-UKRRQHHQSA-N 1 0 304.459 3.070 50 0 DGAARO C[NH+]1CCC(c2cc(NCCc3cccs3)ncn2)CC1 ZINC000063883286 432007422 /nfs/dbraw/zinc/00/74/22/432007422.db2.gz YPUYJILALQRCCA-UHFFFAOYSA-N 1 0 302.447 3.002 50 0 DGAARO C[NH+]1CCC(Nc2ccccc2OCc2cscn2)CC1 ZINC000095457172 185370230 /nfs/dbraw/zinc/37/02/30/185370230.db2.gz CGTLOKBSOZBQBA-UHFFFAOYSA-N 1 0 303.431 3.228 50 0 DGAARO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000097017198 185397546 /nfs/dbraw/zinc/39/75/46/185397546.db2.gz SOJMWKMEIFQMMM-HZMBPMFUSA-N 1 0 300.493 3.094 50 0 DGAARO [NH3+]CCCC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000097019125 185398035 /nfs/dbraw/zinc/39/80/35/185398035.db2.gz OJIOYYQXYLPELT-AWEZNQCLSA-N 1 0 314.351 3.498 50 0 DGAARO Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1nnc2ccccn21 ZINC000097033241 185399610 /nfs/dbraw/zinc/39/96/10/185399610.db2.gz HHMGZZMOFNRFSE-MRXNPFEDSA-N 1 0 310.376 3.078 50 0 DGAARO C[C@H](CCc1ccccc1)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000095468609 185372472 /nfs/dbraw/zinc/37/24/72/185372472.db2.gz FGCPYRFCQDSNJZ-LJQANCHMSA-N 1 0 323.484 3.468 50 0 DGAARO COc1cccc(OC)c1OCCC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000103408235 432008598 /nfs/dbraw/zinc/00/85/98/432008598.db2.gz NTKIKGKIYFFJTE-LSDHHAIUSA-N 1 0 307.434 3.451 50 0 DGAARO C[C@H](c1cccs1)[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000067805730 190724133 /nfs/dbraw/zinc/72/41/33/190724133.db2.gz YKTVWFDOYNZPQI-CYBMUJFWSA-N 1 0 302.447 3.331 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000065593534 432013018 /nfs/dbraw/zinc/01/30/18/432013018.db2.gz 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[NH3+][C@H]1CCCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000072156102 191058871 /nfs/dbraw/zinc/05/88/71/191058871.db2.gz UDLAUSNFUAKXHD-SFHVURJKSA-N 1 0 312.388 3.446 50 0 DGAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)Nc1ccc2cc[nH]c2n1 ZINC000072163037 191063693 /nfs/dbraw/zinc/06/36/93/191063693.db2.gz RFYFEMUAGHNCOK-CQSZACIVSA-N 1 0 306.413 3.422 50 0 DGAARO c1ccc(CCc2nc(-c3ccccc3)c3n2CC[NH2+]C3)cc1 ZINC000072233686 191079357 /nfs/dbraw/zinc/07/93/57/191079357.db2.gz OFAXEJNCLAWHMC-UHFFFAOYSA-N 1 0 303.409 3.439 50 0 DGAARO O=C(Nc1ccc2[nH]ccc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000072271078 191093949 /nfs/dbraw/zinc/09/39/49/191093949.db2.gz JSONSBZVPVZGMP-UHFFFAOYSA-N 1 0 312.417 3.260 50 0 DGAARO CN(C)[C@H](C[NH2+]Cc1nc2ccccc2n1C)c1ccsc1 ZINC000066970793 432025210 /nfs/dbraw/zinc/02/52/10/432025210.db2.gz SYYDLYFYNYVPBG-MRXNPFEDSA-N 1 0 314.458 3.027 50 0 DGAARO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000225585743 186280686 /nfs/dbraw/zinc/28/06/86/186280686.db2.gz 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/nfs/dbraw/zinc/02/76/17/432027617.db2.gz FGXIJVCWNPGSEJ-ZBFHGGJFSA-N 1 0 319.449 3.422 50 0 DGAARO CC(C)(O)CCc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000072429952 191162923 /nfs/dbraw/zinc/16/29/23/191162923.db2.gz CVVFVEGRMBRKDR-LJQANCHMSA-N 1 0 316.489 3.060 50 0 DGAARO CCCNc1ncc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cn1 ZINC000072458255 191173357 /nfs/dbraw/zinc/17/33/57/191173357.db2.gz WSEOCGSSAFDXGG-OAHLLOKOSA-N 1 0 314.408 3.427 50 0 DGAARO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000000355283 180765425 /nfs/dbraw/zinc/76/54/25/180765425.db2.gz CRNCWJOFKGJZRW-NVXWUHKLSA-N 1 0 316.445 3.032 50 0 DGAARO NC(=O)[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000000757349 180832174 /nfs/dbraw/zinc/83/21/74/180832174.db2.gz JWKJGHUMYCDKBL-GOSISDBHSA-N 1 0 308.425 3.016 50 0 DGAARO c1ccc(Cn2c3ccccc3nc2C[n+]2ccccc2)cc1 ZINC000000792401 180832899 /nfs/dbraw/zinc/83/28/99/180832899.db2.gz ZTQPQILBDNYONT-UHFFFAOYSA-N 1 0 300.385 3.420 50 0 DGAARO COc1ccc([C@@]2(C)N(O)[C@H](C)C(c3cccs3)[N+]2=O)cc1 ZINC000001151711 180848139 /nfs/dbraw/zinc/84/81/39/180848139.db2.gz IUBGPLQNTKSDFN-BZNIZROVSA-N 1 0 318.398 3.022 50 0 DGAARO COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067473362 432031540 /nfs/dbraw/zinc/03/15/40/432031540.db2.gz XRLDJYUSHPITQQ-INIZCTEOSA-N 1 0 318.461 3.167 50 0 DGAARO COCCC[NH2+]CCOCCOc1ccc(C)cc1C(C)(C)C ZINC000002981089 180973262 /nfs/dbraw/zinc/97/32/62/180973262.db2.gz PJKGELULZNQKLP-UHFFFAOYSA-N 1 0 323.477 3.314 50 0 DGAARO S=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1 ZINC000003436929 181019757 /nfs/dbraw/zinc/01/97/57/181019757.db2.gz MDIIRHRNFTZIPI-OAHLLOKOSA-N 1 0 315.442 3.403 50 0 DGAARO S=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1 ZINC000003436924 181019764 /nfs/dbraw/zinc/01/97/64/181019764.db2.gz MDIIRHRNFTZIPI-HNNXBMFYSA-N 1 0 315.442 3.403 50 0 DGAARO [NH3+]C[C@H]1CCN(Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000067758471 432039166 /nfs/dbraw/zinc/03/91/66/432039166.db2.gz JDXMDKAPUWCATP-OAHLLOKOSA-N 1 0 318.424 3.077 50 0 DGAARO C[NH+](C)CCNC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004541858 181121763 /nfs/dbraw/zinc/12/17/63/181121763.db2.gz MZEXXVGTSOZSMO-UHFFFAOYSA-N 1 0 320.820 3.210 50 0 DGAARO CC1CC[NH+](C2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000004703417 181139966 /nfs/dbraw/zinc/13/99/66/181139966.db2.gz FLKSSJHSTLQJMJ-UHFFFAOYSA-N 1 0 304.409 3.162 50 0 DGAARO COc1cccc2ccc(-c3cccc4c3O[C@@H](C[NH3+])C4)nc21 ZINC000067785327 432040566 /nfs/dbraw/zinc/04/05/66/432040566.db2.gz WNXIZQVNDUBSML-CQSZACIVSA-N 1 0 306.365 3.173 50 0 DGAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)COc1ccccc1 ZINC000004723160 181142555 /nfs/dbraw/zinc/14/25/55/181142555.db2.gz HRYVAVKEGWKLRR-MRXNPFEDSA-N 1 0 313.397 3.129 50 0 DGAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000004746260 181147005 /nfs/dbraw/zinc/14/70/05/181147005.db2.gz TUUINEWAZSNRQR-GOSISDBHSA-N 1 0 300.446 3.220 50 0 DGAARO C/C(=C\c1ccco1)C[NH+]1CCC2(CC1)CCNC(=O)CC2 ZINC000067784442 432041099 /nfs/dbraw/zinc/04/10/99/432041099.db2.gz 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/nfs/dbraw/zinc/04/69/83/432046983.db2.gz UMHDPOOXGMOJFA-UHFFFAOYSA-N 1 0 321.428 3.267 50 0 DGAARO COc1ccc2[nH]c(C)c(C(=O)C[N@@H+]3CCC[C@H](C)C3)c2c1 ZINC000005024920 181192554 /nfs/dbraw/zinc/19/25/54/181192554.db2.gz WFBMUBMHEDJCGU-LBPRGKRZSA-N 1 0 300.402 3.400 50 0 DGAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCC(C)C)c12 ZINC000005346152 181232139 /nfs/dbraw/zinc/23/21/39/181232139.db2.gz LKDPXULMJNNSHY-UHFFFAOYSA-N 1 0 303.454 3.068 50 0 DGAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)Cn1cc(C=O)c2ccccc21 ZINC000005520941 181253121 /nfs/dbraw/zinc/25/31/21/181253121.db2.gz OHTDILXTEPRBOP-HLLBOEOZSA-N 1 0 314.429 3.078 50 0 DGAARO CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000237112798 202156600 /nfs/dbraw/zinc/15/66/00/202156600.db2.gz YRCPDVJUEHJYQI-OAHLLOKOSA-N 1 0 322.330 3.364 50 0 DGAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237148349 202167700 /nfs/dbraw/zinc/16/77/00/202167700.db2.gz SXDWIFYTLQUXBU-YPMHNXCESA-N 1 0 314.351 3.181 50 0 DGAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000237264764 202208964 /nfs/dbraw/zinc/20/89/64/202208964.db2.gz WUVUOEZTWXGSOE-QGZVFWFLSA-N 1 0 324.424 3.186 50 0 DGAARO C[C@H](CC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1C(F)(F)F ZINC000178582185 198891555 /nfs/dbraw/zinc/89/15/55/198891555.db2.gz SCVCGCQMQZXPKN-NEPJUHHUSA-N 1 0 314.351 3.006 50 0 DGAARO O=C1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000170607056 432073918 /nfs/dbraw/zinc/07/39/18/432073918.db2.gz JAXCUEGNNGDNET-UHFFFAOYSA-N 1 0 315.244 3.138 50 0 DGAARO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000170626542 432074476 /nfs/dbraw/zinc/07/44/76/432074476.db2.gz SCXSFUMYDBEPIL-YVSFHVDLSA-N 1 0 307.482 3.223 50 0 DGAARO Cc1cc([C@H](C)NC(=O)N(C)CC2([NH+](C)C)CCC2)c(C)o1 ZINC000186788349 200010651 /nfs/dbraw/zinc/01/06/51/200010651.db2.gz NOBRMNSQVUEBNW-ZDUSSCGKSA-N 1 0 307.438 3.083 50 0 DGAARO O=C(CCc1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000089783547 192867529 /nfs/dbraw/zinc/86/75/29/192867529.db2.gz RVOOQHCLRIDBLS-INIZCTEOSA-N 1 0 320.864 3.217 50 0 DGAARO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000237574649 202289260 /nfs/dbraw/zinc/28/92/60/202289260.db2.gz VYCZLLBTQIVXAU-WMZOPIPTSA-N 1 0 314.473 3.479 50 0 DGAARO C[C@H]1CCCN(C(=O)c2cnc(-c3ccsc3)s2)[C@@H]1C[NH3+] ZINC000237659974 202322288 /nfs/dbraw/zinc/32/22/88/202322288.db2.gz FBSJVIHHLRJPTP-CMPLNLGQSA-N 1 0 321.471 3.071 50 0 DGAARO O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000237697447 202330081 /nfs/dbraw/zinc/33/00/81/202330081.db2.gz IIPVTCJLZAIFNB-LLVKDONJSA-N 1 0 318.323 3.305 50 0 DGAARO O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000237697514 202330149 /nfs/dbraw/zinc/33/01/49/202330149.db2.gz IIPVTCJLZAIFNB-NSHDSACASA-N 1 0 318.323 3.305 50 0 DGAARO [NH3+]CCC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000237850683 202371274 /nfs/dbraw/zinc/37/12/74/202371274.db2.gz YEDZNGRJBLCMRK-QGZVFWFLSA-N 1 0 314.816 3.315 50 0 DGAARO [NH3+]C[C@@H]1CCCN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000237940344 202397899 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Cc1cncc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000189864081 432098825 /nfs/dbraw/zinc/09/88/25/432098825.db2.gz MMLNDXMONFIADO-KRWDZBQOSA-N 1 0 304.340 3.242 50 0 DGAARO COc1ccc(C[NH2+]Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000006493824 181345480 /nfs/dbraw/zinc/34/54/80/181345480.db2.gz KDLNVFUOBDMNGB-UHFFFAOYSA-N 1 0 308.381 3.135 50 0 DGAARO O=C(C[NH+]1CCCCCCC1)N[C@H]1CCCc2ccccc21 ZINC000006561427 181355026 /nfs/dbraw/zinc/35/50/26/181355026.db2.gz NUPMJULIWCEUQU-SFHVURJKSA-N 1 0 300.446 3.446 50 0 DGAARO CSc1nc2c3c(sc2c(NCCCC[NH3+])n1)CCCC3 ZINC000006662516 181367613 /nfs/dbraw/zinc/36/76/13/181367613.db2.gz UBAFKGCZWLIWNE-UHFFFAOYSA-N 1 0 322.503 3.443 50 0 DGAARO CSc1nc2c3c(sc2c(NCCC[NH3+])n1)CCCC3 ZINC000006669889 181368496 /nfs/dbraw/zinc/36/84/96/181368496.db2.gz LLAGHWVMSAGSTI-UHFFFAOYSA-N 1 0 308.476 3.053 50 0 DGAARO COCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000006701899 181373710 /nfs/dbraw/zinc/37/37/10/181373710.db2.gz WUKUORWYDZANMS-UHFFFAOYSA-N 1 0 319.376 3.149 50 0 DGAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(C)cc2)CC1 ZINC000006703892 181374919 /nfs/dbraw/zinc/37/49/19/181374919.db2.gz ZIKITASWJHXSCH-UHFFFAOYSA-N 1 0 305.418 3.039 50 0 DGAARO CC[NH+]1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000006726352 181377294 /nfs/dbraw/zinc/37/72/94/181377294.db2.gz UGXKOWGTAWZZST-UHFFFAOYSA-N 1 0 315.339 3.311 50 0 DGAARO COc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000006787569 181388886 /nfs/dbraw/zinc/38/88/86/181388886.db2.gz BMSYDFMKNBTHTK-HNNXBMFYSA-N 1 0 312.413 3.245 50 0 DGAARO Clc1cccc(-c2cn(CC[NH+]3CCCC3)nn2)c1Cl ZINC000091365324 193046414 /nfs/dbraw/zinc/04/64/14/193046414.db2.gz OMNQEQCMRGVBOL-UHFFFAOYSA-N 1 0 311.216 3.348 50 0 DGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cnccn3)CC2)C1 ZINC000091586991 193075316 /nfs/dbraw/zinc/07/53/16/193075316.db2.gz MKGQMUKKBBYULN-SFHVURJKSA-N 1 0 322.456 3.183 50 0 DGAARO CC(C)c1nnc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)s1 ZINC000091587256 193076523 /nfs/dbraw/zinc/07/65/23/193076523.db2.gz ITQLZDSCXAGSOI-HUUCEWRRSA-N 1 0 320.506 3.362 50 0 DGAARO OCc1cccc(C[C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000091747077 193101425 /nfs/dbraw/zinc/10/14/25/193101425.db2.gz PQGSFRDGZZBZNG-INIZCTEOSA-N 1 0 321.424 3.120 50 0 DGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)c(F)c1)CC2 ZINC000091643582 193083952 /nfs/dbraw/zinc/08/39/52/193083952.db2.gz GNGOMMJJYWTKJF-UHFFFAOYSA-N 1 0 318.436 3.359 50 0 DGAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091695025 193093202 /nfs/dbraw/zinc/09/32/02/193093202.db2.gz ZTLXAXHNAOSSIW-LBPRGKRZSA-N 1 0 311.360 3.255 50 0 DGAARO Cc1cc2ncc([C@@H](C)[NH2+]Cc3sc(C)nc3C)c(C)n2n1 ZINC000091728947 193098107 /nfs/dbraw/zinc/09/81/07/193098107.db2.gz TXURDTCBZLYDDS-SNVBAGLBSA-N 1 0 315.446 3.270 50 0 DGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)c1 ZINC000091807953 193111215 /nfs/dbraw/zinc/11/12/15/193111215.db2.gz ZMWKRYVDMVJOND-SFHVURJKSA-N 1 0 307.409 3.209 50 0 DGAARO Cc1noc(C)c1CN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000091891311 193123237 /nfs/dbraw/zinc/12/32/37/193123237.db2.gz OBPIKADKDJEEFN-UHFFFAOYSA-N 1 0 324.428 3.091 50 0 DGAARO CCCO[C@H]1CCC[N@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091907647 193125268 /nfs/dbraw/zinc/12/52/68/193125268.db2.gz MFDLHIVLGJBAGE-HNNXBMFYSA-N 1 0 318.392 3.058 50 0 DGAARO C[C@@H]1C[N@H+](Cc2c[nH]nc2C2CCCCC2)CC[C@@]1(O)C1CC1 ZINC000091951105 193131427 /nfs/dbraw/zinc/13/14/27/193131427.db2.gz CUNQVBZOGAPJJG-KUHUBIRLSA-N 1 0 317.477 3.440 50 0 DGAARO Cc1[nH]ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091988248 193137217 /nfs/dbraw/zinc/13/72/17/193137217.db2.gz MDTHKXGBTTVTGI-ZWKOTPCHSA-N 1 0 323.440 3.060 50 0 DGAARO CC[N@@H+](Cc1cc(=O)c2cc(C)ccc2[nH]1)C[C@H]1CCCCO1 ZINC000092077605 193153867 /nfs/dbraw/zinc/15/38/67/193153867.db2.gz FCBULXAXAGXUME-MRXNPFEDSA-N 1 0 314.429 3.228 50 0 DGAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000190049396 432117300 /nfs/dbraw/zinc/11/73/00/432117300.db2.gz ICXAXXPDYXPZDF-GDBMZVCRSA-N 1 0 320.462 3.229 50 0 DGAARO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2cccc(C)c2)C1 ZINC000106216964 284043641 /nfs/dbraw/zinc/04/36/41/284043641.db2.gz MVGRJICQDGBWMJ-QGZVFWFLSA-N 1 0 313.445 3.470 50 0 DGAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cccc(F)c2)cn1 ZINC000107322486 284053457 /nfs/dbraw/zinc/05/34/57/284053457.db2.gz ZBSIIEMBYXGQGV-QIIPPGSGSA-N 1 0 317.408 3.471 50 0 DGAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)[C@H](C)n1cccn1 ZINC000069418024 296135284 /nfs/dbraw/zinc/13/52/84/296135284.db2.gz WITUHJXCXMWRDI-OLZOCXBDSA-N 1 0 313.380 3.152 50 0 DGAARO CNC(=O)CC1CC[NH+](Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000093588288 193271704 /nfs/dbraw/zinc/27/17/04/193271704.db2.gz GBASRJHILBNHGZ-UHFFFAOYSA-N 1 0 314.429 3.398 50 0 DGAARO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@H]1CCOC1 ZINC000093840414 193316169 /nfs/dbraw/zinc/31/61/69/193316169.db2.gz MDFJUQFNDLTTSJ-KRWDZBQOSA-N 1 0 312.413 3.129 50 0 DGAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)C1=CCCCC1 ZINC000095353377 193427106 /nfs/dbraw/zinc/42/71/06/193427106.db2.gz MOMBHLBUIAPCFE-HNNXBMFYSA-N 1 0 316.445 3.497 50 0 DGAARO CCOc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1OC ZINC000095988550 193479923 /nfs/dbraw/zinc/47/99/23/193479923.db2.gz GRWILYDYECUJNO-HNNXBMFYSA-N 1 0 321.461 3.372 50 0 DGAARO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010336171 181667024 /nfs/dbraw/zinc/66/70/24/181667024.db2.gz CHYVTRSLFNDITA-UHFFFAOYSA-N 1 0 324.424 3.221 50 0 DGAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000012796211 181799523 /nfs/dbraw/zinc/79/95/23/181799523.db2.gz GCXFEDYWJNMCGX-QWHCGFSZSA-N 1 0 302.374 3.356 50 0 DGAARO CSC[C@@H](C)[NH+]1CCC(CO)(CCc2ccccc2)CC1 ZINC000013594066 181866673 /nfs/dbraw/zinc/86/66/73/181866673.db2.gz QSOZBKMQMHTXEN-MRXNPFEDSA-N 1 0 307.503 3.445 50 0 DGAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCCC2)o1 ZINC000015860257 182022481 /nfs/dbraw/zinc/02/24/81/182022481.db2.gz MYEDVZNDBLEBCR-MRXNPFEDSA-N 1 0 316.376 3.294 50 0 DGAARO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCC2)o1 ZINC000015860213 182022493 /nfs/dbraw/zinc/02/24/93/182022493.db2.gz SQHAXBPUIDOHPU-QGZVFWFLSA-N 1 0 312.413 3.463 50 0 DGAARO Cc1ccc([C@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000015860212 182022527 /nfs/dbraw/zinc/02/25/27/182022527.db2.gz HTCSBMQMZHRUFE-KRWDZBQOSA-N 1 0 312.413 3.463 50 0 DGAARO O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000068589805 284365784 /nfs/dbraw/zinc/36/57/84/284365784.db2.gz MNKDMSOCNQOAOK-QGZVFWFLSA-N 1 0 301.434 3.463 50 0 DGAARO CC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](CC)CC1 ZINC000016606036 182053078 /nfs/dbraw/zinc/05/30/78/182053078.db2.gz WNGIFUJJCFTMSL-INIZCTEOSA-N 1 0 324.852 3.098 50 0 DGAARO CC[C@@H](C)[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000019362922 182118359 /nfs/dbraw/zinc/11/83/59/182118359.db2.gz PMYTXVXDWDWUTO-CYBMUJFWSA-N 1 0 311.267 3.365 50 0 DGAARO CCOc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019359565 182119093 /nfs/dbraw/zinc/11/90/93/182119093.db2.gz WZDNMJIDSFNSCK-UHFFFAOYSA-N 1 0 310.441 3.403 50 0 DGAARO COc1ccc(OC)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019688790 182136618 /nfs/dbraw/zinc/13/66/18/182136618.db2.gz LVEUORKAEYEUPQ-SFHVURJKSA-N 1 0 308.381 3.420 50 0 DGAARO COCC[NH2+]Cc1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000019641648 182134360 /nfs/dbraw/zinc/13/43/60/182134360.db2.gz UIFPTOQEFMSJSO-UHFFFAOYSA-N 1 0 307.397 3.480 50 0 DGAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019637052 182134451 /nfs/dbraw/zinc/13/44/51/182134451.db2.gz GNLDVAXWJJLACF-DOTOQJQBSA-N 1 0 316.445 3.112 50 0 DGAARO CCc1ccc(O[C@H](CC)C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000020192676 182196311 /nfs/dbraw/zinc/19/63/11/182196311.db2.gz LVUPZNCXJLIUKF-GOSISDBHSA-N 1 0 318.461 3.007 50 0 DGAARO CCN1CC[NH+](CCCCOc2ccccc2OC(C)C)CC1 ZINC000020390203 182213668 /nfs/dbraw/zinc/21/36/68/182213668.db2.gz JEKOGHQKBIZNRD-UHFFFAOYSA-N 1 0 320.477 3.270 50 0 DGAARO CN(C)CC[NH2+]CCCOc1cccc(Oc2ccccc2)c1 ZINC000020418763 182216050 /nfs/dbraw/zinc/21/60/50/182216050.db2.gz SOWQGSJJCWWUOW-UHFFFAOYSA-N 1 0 314.429 3.399 50 0 DGAARO C[C@@H]1CCC[C@@]2(C1)NCC[NH+]=C2NCc1ccc(Cl)cc1 ZINC000021883570 182296203 /nfs/dbraw/zinc/29/62/03/182296203.db2.gz GAZBEXRNRSTXFV-DYVFJYSZSA-N 1 0 305.853 3.380 50 0 DGAARO COc1ccc(CC[NH2+][C@H](C)C(=O)c2ccc(OC)cc2)cc1 ZINC000021981511 182301517 /nfs/dbraw/zinc/30/15/17/182301517.db2.gz HFSPRQVIZBSDKD-CQSZACIVSA-N 1 0 313.397 3.107 50 0 DGAARO O=C(NCCC[NH2+]C1CCCCC1)c1nc2ccccc2s1 ZINC000022500802 182323659 /nfs/dbraw/zinc/32/36/59/182323659.db2.gz YAJRLZZDSZYVKB-UHFFFAOYSA-N 1 0 317.458 3.339 50 0 DGAARO CCn1c2cccc(F)c2nc1C[NH2+]C(C)(C)C(C)(C)CO ZINC000083840058 545781245 /nfs/dbraw/zinc/78/12/45/545781245.db2.gz WUHQZNNHEJWESA-UHFFFAOYSA-N 1 0 307.413 3.082 50 0 DGAARO COc1cccc([C@H](CNC(=O)C2CCCC2)[NH+]2CCCC2)c1 ZINC000022869495 182338483 /nfs/dbraw/zinc/33/84/83/182338483.db2.gz DCGXGEXPWZQAKQ-SFHVURJKSA-N 1 0 316.445 3.139 50 0 DGAARO CC(C)(C)c1ccc(OCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000022916886 182341301 /nfs/dbraw/zinc/34/13/01/182341301.db2.gz QSCGWAPNZCUKQI-UHFFFAOYSA-N 1 0 310.869 3.312 50 0 DGAARO CSCCC[N@@H+]1CCC[C@@H](N(C)CCc2ccccc2)C1 ZINC000023358089 182357314 /nfs/dbraw/zinc/35/73/14/182357314.db2.gz RBHBUWYGFMORST-GOSISDBHSA-N 1 0 306.519 3.378 50 0 DGAARO CCN(CC)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023382015 182359242 /nfs/dbraw/zinc/35/92/42/182359242.db2.gz RWHOWGKUKFNYOU-UHFFFAOYSA-N 1 0 308.853 3.420 50 0 DGAARO COc1ccc(CC[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000023409446 182360300 /nfs/dbraw/zinc/36/03/00/182360300.db2.gz VMSDWYGOPZXIOA-UHFFFAOYSA-N 1 0 307.397 3.213 50 0 DGAARO Cc1cc(Cl)ccc1C[NH+]1CCC(c2nncn2C)CC1 ZINC000136161048 432147693 /nfs/dbraw/zinc/14/76/93/432147693.db2.gz JFWFLASRKBBLJB-UHFFFAOYSA-N 1 0 304.825 3.157 50 0 DGAARO O=C(NCc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000040088358 183032818 /nfs/dbraw/zinc/03/28/18/183032818.db2.gz HZBJHOOYTAWBLK-IBGZPJMESA-N 1 0 323.440 3.150 50 0 DGAARO O=C(NCCC[NH+]1CCCC1)Nc1cccc2c1CCCC2 ZINC000040098176 183034951 /nfs/dbraw/zinc/03/49/51/183034951.db2.gz YXHBIZXSCMHBPJ-UHFFFAOYSA-N 1 0 301.434 3.173 50 0 DGAARO CC[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1C ZINC000040520412 183090451 /nfs/dbraw/zinc/09/04/51/183090451.db2.gz QAWKVYCIFRWXIY-UHFFFAOYSA-N 1 0 307.397 3.025 50 0 DGAARO CCc1nc2sc3c(c2c(NCCC[NH+](C)C)n1)CCC3 ZINC000041090171 183164019 /nfs/dbraw/zinc/16/40/19/183164019.db2.gz MGTIEPNLRIOQKT-UHFFFAOYSA-N 1 0 304.463 3.106 50 0 DGAARO C[N@H+](CCCNC(=O)c1cccc(F)c1)Cc1ccccc1 ZINC000041566754 183203805 /nfs/dbraw/zinc/20/38/05/183203805.db2.gz YNOZWOYCSLKSLN-UHFFFAOYSA-N 1 0 300.377 3.078 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2[nH]1)Cc1ccccc1 ZINC000041949091 183226720 /nfs/dbraw/zinc/22/67/20/183226720.db2.gz ZOIDINMJZDRVMF-QGZVFWFLSA-N 1 0 321.424 3.071 50 0 DGAARO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000042206528 183242709 /nfs/dbraw/zinc/24/27/09/183242709.db2.gz CVGHDOXSHRJDDO-UHFFFAOYSA-N 1 0 318.804 3.327 50 0 DGAARO COc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770176 183307295 /nfs/dbraw/zinc/30/72/95/183307295.db2.gz NYTCDZGWYCOUGV-LLVKDONJSA-N 1 0 314.223 3.226 50 0 DGAARO C/C=C1\C[N@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000044021136 183392753 /nfs/dbraw/zinc/39/27/53/183392753.db2.gz DTEXULLZKFAGHZ-OPZPUMDESA-N 1 0 324.424 3.317 50 0 DGAARO COc1cc(F)ccc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000044235939 183399354 /nfs/dbraw/zinc/39/93/54/183399354.db2.gz REOHUVXYRPWKBC-UHFFFAOYSA-N 1 0 323.412 3.078 50 0 DGAARO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000048251940 183632218 /nfs/dbraw/zinc/63/22/18/183632218.db2.gz PQFMHRZBPCURKU-KRWDZBQOSA-N 1 0 316.470 3.315 50 0 DGAARO C[C@@H](Cc1ccsc1)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000050157610 183775238 /nfs/dbraw/zinc/77/52/38/183775238.db2.gz CBDNATVHLONAGW-HNNXBMFYSA-N 1 0 323.506 3.100 50 0 DGAARO O=C(NCCC[NH+]1CCCC1)c1ccccc1Cc1ccccc1 ZINC000053287838 183897441 /nfs/dbraw/zinc/89/74/41/183897441.db2.gz LHQROCAGGSNFIS-UHFFFAOYSA-N 1 0 322.452 3.493 50 0 DGAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)no1 ZINC000057273629 184031537 /nfs/dbraw/zinc/03/15/37/184031537.db2.gz KOTLYXJYOIZHCI-MRXNPFEDSA-N 1 0 305.353 3.048 50 0 DGAARO Cn1c(SCC[C@H]2CCCC[N@@H+]2C)nnc1-c1ccco1 ZINC000057652321 184043959 /nfs/dbraw/zinc/04/39/59/184043959.db2.gz HMBJUHKPQBTSAU-GFCCVEGCSA-N 1 0 306.435 3.042 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000058177777 184085189 /nfs/dbraw/zinc/08/51/89/184085189.db2.gz XLKJCZIVTXVKKX-UHFFFAOYSA-N 1 0 318.417 3.282 50 0 DGAARO Cc1ccc(C[N@H+](C[C@@H](O)c2ccc3c(c2)OCO3)C2CC2)o1 ZINC000058202610 184087459 /nfs/dbraw/zinc/08/74/59/184087459.db2.gz COFMQYMDCNMOPT-MRXNPFEDSA-N 1 0 315.369 3.015 50 0 DGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000058210813 184088590 /nfs/dbraw/zinc/08/85/90/184088590.db2.gz OFJAUXQPOSAVRM-INIZCTEOSA-N 1 0 302.462 3.201 50 0 DGAARO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000058146357 184080846 /nfs/dbraw/zinc/08/08/46/184080846.db2.gz BDPKKAHHFPGCEV-NSHDSACASA-N 1 0 320.339 3.263 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCCc2ccccc21 ZINC000058143851 184081026 /nfs/dbraw/zinc/08/10/26/184081026.db2.gz QKFCKSODGLQKOW-NVXWUHKLSA-N 1 0 317.502 3.012 50 0 DGAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000058277863 184098130 /nfs/dbraw/zinc/09/81/30/184098130.db2.gz PXHXJIRDBKALJX-UHFFFAOYSA-N 1 0 316.376 3.122 50 0 DGAARO O=C(C1CC1)N1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000058316210 184104506 /nfs/dbraw/zinc/10/45/06/184104506.db2.gz RQAHUZYXGBSDKK-LJQANCHMSA-N 1 0 312.457 3.300 50 0 DGAARO CC[NH+](CC)CC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000058820736 184129155 /nfs/dbraw/zinc/12/91/55/184129155.db2.gz DYEOZXOSXQUGQF-UHFFFAOYSA-N 1 0 317.355 3.052 50 0 DGAARO C[C@H](CNC(=O)c1cc2ccccc2o1)C[NH+]1CCCCC1 ZINC000058393569 184112431 /nfs/dbraw/zinc/11/24/31/184112431.db2.gz GBKXGSILUMATFF-CQSZACIVSA-N 1 0 300.402 3.285 50 0 DGAARO C[C@H](Sc1nc(N)cc(N)[nH+]1)c1ccc(OC(F)F)cc1 ZINC000058440704 184119145 /nfs/dbraw/zinc/11/91/45/184119145.db2.gz OITDXXOPXIVKQN-ZETCQYMHSA-N 1 0 312.345 3.096 50 0 DGAARO O=C(C[N@@H+](Cc1ccccc1)CC1CCC1)NC1CCCC1 ZINC000060041874 184143213 /nfs/dbraw/zinc/14/32/13/184143213.db2.gz VVZBRMFVLUSHEZ-UHFFFAOYSA-N 1 0 300.446 3.348 50 0 DGAARO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114783 184206280 /nfs/dbraw/zinc/20/62/80/184206280.db2.gz YIEPBEJGEPRJJV-VHSXEESVSA-N 1 0 301.217 3.122 50 0 DGAARO C[NH2+][C@@H](C(=O)c1ccccc1)[C@@H](OC)c1ccc(Cl)cc1 ZINC000061886125 184191883 /nfs/dbraw/zinc/19/18/83/184191883.db2.gz KHCZBRQXKFBDLU-RDJZCZTQSA-N 1 0 303.789 3.498 50 0 DGAARO Cc1ccc(C[N@H+]2CC[C@H](c3nc4cccnc4n3C)C2)cc1 ZINC000065285302 184321059 /nfs/dbraw/zinc/32/10/59/184321059.db2.gz CKPIMFYBGBJKNH-INIZCTEOSA-N 1 0 306.413 3.266 50 0 DGAARO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC000065371178 184329922 /nfs/dbraw/zinc/32/99/22/184329922.db2.gz OLSGXVSVHYKSDA-OLZOCXBDSA-N 1 0 303.406 3.483 50 0 DGAARO CCn1nc(C)c(C[NH2+][C@@H](C)Cc2cccc(OC)c2)c1C ZINC000065453555 184346846 /nfs/dbraw/zinc/34/68/46/184346846.db2.gz BFHLLGVAAFTPJR-ZDUSSCGKSA-N 1 0 301.434 3.249 50 0 DGAARO CCN(C(=O)CC[N@@H+]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000065404286 184338086 /nfs/dbraw/zinc/33/80/86/184338086.db2.gz FGQHFOCULMZTAG-UHFFFAOYSA-N 1 0 316.445 3.075 50 0 DGAARO Cc1[nH+]c(N(C)C)nc(N[C@H](C)c2cn3ccsc3n2)c1C ZINC000065525822 184359620 /nfs/dbraw/zinc/35/96/20/184359620.db2.gz XCVFQZUEBJKKEP-LLVKDONJSA-N 1 0 316.434 3.042 50 0 DGAARO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000065564522 184366535 /nfs/dbraw/zinc/36/65/35/184366535.db2.gz ZPHZFCYRNMOPNO-WMZOPIPTSA-N 1 0 323.440 3.171 50 0 DGAARO Cn1nccc1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000065517532 184358546 /nfs/dbraw/zinc/35/85/46/184358546.db2.gz AWXUWFUMQVDRMO-UHFFFAOYSA-N 1 0 306.413 3.348 50 0 DGAARO COCC[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000055504857 285009067 /nfs/dbraw/zinc/00/90/67/285009067.db2.gz BWRNTYPAPOLKHM-AWEZNQCLSA-N 1 0 317.429 3.293 50 0 DGAARO [NH3+][C@@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000158507779 197279384 /nfs/dbraw/zinc/27/93/84/197279384.db2.gz JACJKPTZELZRHK-SNVBAGLBSA-N 1 0 321.273 3.327 50 0 DGAARO Cn1cncc1C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157041494 197156921 /nfs/dbraw/zinc/15/69/21/197156921.db2.gz XZUJQAPUUDQOQE-AWEZNQCLSA-N 1 0 319.836 3.365 50 0 DGAARO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000248062049 291922631 /nfs/dbraw/zinc/92/26/31/291922631.db2.gz LXEDGUDYCVBVAP-INMHGKMJSA-N 1 0 306.425 3.118 50 0 DGAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000016074823 256526364 /nfs/dbraw/zinc/52/63/64/256526364.db2.gz AKGPYHXWYUAVIS-YJBOKZPZSA-N 1 0 323.481 3.059 50 0 DGAARO C[NH+](C)C[C@H](NC(=O)c1sccc1Cl)c1ccccc1 ZINC000225492534 257103167 /nfs/dbraw/zinc/10/31/67/257103167.db2.gz IMTYAWMYUYASFM-ZDUSSCGKSA-N 1 0 308.834 3.434 50 0 DGAARO COc1ccccc1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014120124 257233599 /nfs/dbraw/zinc/23/35/99/257233599.db2.gz CZMOIONLMVZBLS-UHFFFAOYSA-N 1 0 324.424 3.472 50 0 DGAARO CC[NH+]1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000019633654 257210934 /nfs/dbraw/zinc/21/09/34/257210934.db2.gz BWSZVKVTEALWCK-UHFFFAOYSA-N 1 0 310.441 3.403 50 0 DGAARO Cc1cccc2nc(C[N@@H+](C)[C@H](C)c3ccccc3)cc(=O)n12 ZINC000225492538 257274509 /nfs/dbraw/zinc/27/45/09/257274509.db2.gz OENGUXXHALLJOY-OAHLLOKOSA-N 1 0 307.397 3.196 50 0 DGAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000237490499 257238317 /nfs/dbraw/zinc/23/83/17/257238317.db2.gz IYZBWWDGZNZMOA-YOEHRIQHSA-N 1 0 302.462 3.255 50 0 DGAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000237955962 257238498 /nfs/dbraw/zinc/23/84/98/257238498.db2.gz XMMMJAJOKMGTFW-QJPTWQEYSA-N 1 0 313.228 3.047 50 0 DGAARO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237629910 257238711 /nfs/dbraw/zinc/23/87/11/257238711.db2.gz BLMUKETVDQKDRS-GXFFZTMASA-N 1 0 307.463 3.061 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000237483560 257238849 /nfs/dbraw/zinc/23/88/49/257238849.db2.gz SQBDJMBYRMLMBU-WJLLLIJTSA-N 1 0 313.228 3.345 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000237396066 257239219 /nfs/dbraw/zinc/23/92/19/257239219.db2.gz SUUGSTWWGKNTIL-BNOWGMLFSA-N 1 0 314.351 3.061 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000237379516 257239552 /nfs/dbraw/zinc/23/95/52/257239552.db2.gz BDRKUQDTXWTBML-AGERRDQYSA-N 1 0 300.446 3.299 50 0 DGAARO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000095422824 257253104 /nfs/dbraw/zinc/25/31/04/257253104.db2.gz NVMCDAQICBYVJN-UWVGGRQHSA-N 1 0 301.217 3.265 50 0 DGAARO Cc1nnc([C@@H]2CCC[N@H+](CCSc3ccccc3)C2)[nH]1 ZINC000349386105 285343337 /nfs/dbraw/zinc/34/33/37/285343337.db2.gz REIYWFJFHQHXGX-CQSZACIVSA-N 1 0 302.447 3.085 50 0 DGAARO c1ccc(C2CC([NH2+]Cc3ccnc(O[C@@H]4CCOC4)c3)C2)cc1 ZINC000128191703 195943500 /nfs/dbraw/zinc/94/35/00/195943500.db2.gz HQWQHYYUBCVGBR-CTWPCTMYSA-N 1 0 324.424 3.285 50 0 DGAARO CC1(C)CC(NC(=S)Nc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000004685197 400085171 /nfs/dbraw/zinc/08/51/71/400085171.db2.gz JDMMMYXBBJYZLC-UHFFFAOYSA-N 1 0 309.454 3.421 50 0 DGAARO C[N@@H+]1CCCC[C@H]1CNC(=O)C1(Nc2ccccc2)CCCC1 ZINC000584902908 400124565 /nfs/dbraw/zinc/12/45/65/400124565.db2.gz RRDXPLFUYVOAHD-KRWDZBQOSA-N 1 0 315.461 3.012 50 0 DGAARO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000023283465 400209124 /nfs/dbraw/zinc/20/91/24/400209124.db2.gz OGILVWZUIHJFGQ-CQSZACIVSA-N 1 0 316.392 3.333 50 0 DGAARO CS(=O)(=O)c1ccccc1SCCC[NH+]1CCCCC1 ZINC000097104843 400283584 /nfs/dbraw/zinc/28/35/84/400283584.db2.gz INGZLXZBMRFEQC-UHFFFAOYSA-N 1 0 313.488 3.058 50 0 DGAARO CC1(C)[C@H]([NH2+]CCc2nnc3ccccn32)C[C@H]1c1ccccc1 ZINC000097379783 400285759 /nfs/dbraw/zinc/28/57/59/400285759.db2.gz DUYITCFSRIAQLQ-DLBZAZTESA-N 1 0 320.440 3.444 50 0 DGAARO CCOC(=O)[C@]1(c2ccccc2)C[C@@H](CC)C=C[C@@H]1[NH+](C)C ZINC000102197687 400295617 /nfs/dbraw/zinc/29/56/17/400295617.db2.gz WZJMDVVXTPWBRB-IEZWGBDMSA-N 1 0 301.430 3.404 50 0 DGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cnc2c(C)cccn12 ZINC000072298472 400380309 /nfs/dbraw/zinc/38/03/09/400380309.db2.gz FGSQNCAXCQZJRG-MRXNPFEDSA-N 1 0 309.417 3.026 50 0 DGAARO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069967041 400349134 /nfs/dbraw/zinc/34/91/34/400349134.db2.gz KQXTZNDADGXIOW-GOEBONIOSA-N 1 0 323.400 3.159 50 0 DGAARO CCn1c2ccc(F)cc2nc1C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000070018031 400352075 /nfs/dbraw/zinc/35/20/75/400352075.db2.gz RUMYZRYSMCYEJT-CHWSQXEVSA-N 1 0 315.396 3.131 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000072269875 400377220 /nfs/dbraw/zinc/37/72/20/400377220.db2.gz WUIGYUREZGSYMW-HOTGVXAUSA-N 1 0 309.417 3.117 50 0 DGAARO Cn1c(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)nnc1C1CCC1 ZINC000124141616 400473617 /nfs/dbraw/zinc/47/36/17/400473617.db2.gz JTEMFVSIYOGCOL-RYUDHWBXSA-N 1 0 316.371 3.293 50 0 DGAARO CCOc1cc2c(cc1OC)CC[NH2+][C@@H]2Cc1ccc(O)cc1 ZINC000075278900 400569325 /nfs/dbraw/zinc/56/93/25/400569325.db2.gz XNJWFRNUEDDRRW-QGZVFWFLSA-N 1 0 313.397 3.229 50 0 DGAARO Fc1c(Cl)cccc1C[NH2+]CCCOC1CCOCC1 ZINC000150991053 400668394 /nfs/dbraw/zinc/66/83/94/400668394.db2.gz QNLDMWRJGHILAH-UHFFFAOYSA-N 1 0 301.789 3.154 50 0 DGAARO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000077364751 400712800 /nfs/dbraw/zinc/71/28/00/400712800.db2.gz KSPMUCBJYJRMQI-KRWDZBQOSA-N 1 0 313.445 3.485 50 0 DGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000169781523 400760768 /nfs/dbraw/zinc/76/07/68/400760768.db2.gz FSYYETGKEISRJJ-OAHLLOKOSA-N 1 0 322.399 3.045 50 0 DGAARO CCNC(=O)N1CCCCC[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000169775145 400761006 /nfs/dbraw/zinc/76/10/06/400761006.db2.gz TVPUDEYZARNCNA-SFHVURJKSA-N 1 0 315.461 3.019 50 0 DGAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000169781524 400761291 /nfs/dbraw/zinc/76/12/91/400761291.db2.gz FSYYETGKEISRJJ-HNNXBMFYSA-N 1 0 322.399 3.045 50 0 DGAARO Cc1oc(-c2ccccc2)nc1COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000170616593 400767054 /nfs/dbraw/zinc/76/70/54/400767054.db2.gz ZRMCEMMDMWUIPG-INIZCTEOSA-N 1 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CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)CC(C)C ZINC000248247447 401068561 /nfs/dbraw/zinc/06/85/61/401068561.db2.gz HQUVDDNSJNQEAF-ARFHVFGLSA-N 1 0 306.450 3.256 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(CC1CC1)C1CCCCC1 ZINC000252487543 401095111 /nfs/dbraw/zinc/09/51/11/401095111.db2.gz YWXCIYZOWCZURQ-AEFFLSMTSA-N 1 0 319.493 3.368 50 0 DGAARO COc1cccc(CN[C@@H](C)C[NH+]2CCCCCC2)c1OC ZINC000187565928 165095619 /nfs/dbraw/zinc/09/56/19/165095619.db2.gz BWXQOMCMEHGNHO-HNNXBMFYSA-N 1 0 306.450 3.058 50 0 DGAARO O=C1CCCCCN1CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129183642 196026359 /nfs/dbraw/zinc/02/63/59/196026359.db2.gz UKISDBUWRWBVRU-KGLIPLIRSA-N 1 0 320.399 3.490 50 0 DGAARO CC1(C)CC(NC(=O)NCC2(C3CC3)CCC2)CC(C)(C)[NH2+]1 ZINC000134106879 196361521 /nfs/dbraw/zinc/36/15/21/196361521.db2.gz JCSOZNBDBFDFPA-UHFFFAOYSA-N 1 0 307.482 3.175 50 0 DGAARO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004346942 262521826 /nfs/dbraw/zinc/52/18/26/262521826.db2.gz 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COc1ccc(C[N@H+](CCC(=O)N2CCC[C@H]2C)C2CC2)cc1 ZINC000075591974 431487249 /nfs/dbraw/zinc/48/72/49/431487249.db2.gz NEPMBJVEIZSZMS-OAHLLOKOSA-N 1 0 316.445 3.061 50 0 DGAARO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)o1 ZINC000012054038 431490381 /nfs/dbraw/zinc/49/03/81/431490381.db2.gz WYSDKQMRMZGEIJ-CQSZACIVSA-N 1 0 320.433 3.205 50 0 DGAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)NC1CC1 ZINC000012074501 431490819 /nfs/dbraw/zinc/49/08/19/431490819.db2.gz ULWULBAYRVFOBV-AWEZNQCLSA-N 1 0 304.409 3.097 50 0 DGAARO O=C1CC[N@@H+](C[C@H]2CC=CCC2)CCN1Cc1cccc(F)c1 ZINC000012212546 431496309 /nfs/dbraw/zinc/49/63/09/431496309.db2.gz YKQYWGPFOLFSRX-INIZCTEOSA-N 1 0 316.420 3.216 50 0 DGAARO c1ccc(N[C@H]2CCC[N@H+](C3CSCCSC3)C2)cc1 ZINC000012304429 431501647 /nfs/dbraw/zinc/50/16/47/431501647.db2.gz TYBNKFGSEXKSKI-HNNXBMFYSA-N 1 0 308.516 3.412 50 0 DGAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000013001898 431542700 /nfs/dbraw/zinc/54/27/00/431542700.db2.gz 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COc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c(F)c1 ZINC000025443576 431658071 /nfs/dbraw/zinc/65/80/71/431658071.db2.gz JUAPUJCZSHIOEZ-UHFFFAOYSA-N 1 0 322.424 3.219 50 0 DGAARO CCOC(=O)C1CC[NH+](CCCOc2cccc(C)c2)CC1 ZINC000016489762 431613609 /nfs/dbraw/zinc/61/36/09/431613609.db2.gz SLYDHRLKVPPYIG-UHFFFAOYSA-N 1 0 305.418 3.039 50 0 DGAARO Clc1ccccc1COc1cccc(N2CC[NH2+]CC2)c1 ZINC000019688543 431619475 /nfs/dbraw/zinc/61/94/75/431619475.db2.gz CNRJRVYSPNUTCG-UHFFFAOYSA-N 1 0 302.805 3.329 50 0 DGAARO Cc1ccc(C[NH+]2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019900178 431622907 /nfs/dbraw/zinc/62/29/07/431622907.db2.gz GFZFAZDCVHIPOI-IRXDYDNUSA-N 1 0 302.462 3.069 50 0 DGAARO Cc1ccsc1CN(C)Cc1cc(=O)n2c(C)csc2n1 ZINC000020803465 431624752 /nfs/dbraw/zinc/62/47/52/431624752.db2.gz XSPUALIHPGOEBF-UHFFFAOYSA-N 1 0 319.455 3.066 50 0 DGAARO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000025900418 431666241 /nfs/dbraw/zinc/66/62/41/431666241.db2.gz XVORWAXCJWZPKL-QWHCGFSZSA-N 1 0 317.389 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ZINC000036932241 431842774 /nfs/dbraw/zinc/84/27/74/431842774.db2.gz YWFNTUMGROERIX-LBPRGKRZSA-N 1 0 302.447 3.166 50 0 DGAARO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000086253436 431844171 /nfs/dbraw/zinc/84/41/71/431844171.db2.gz XLHMQOPQWFODEK-LJQANCHMSA-N 1 0 319.408 3.354 50 0 DGAARO CN(Cc1ccccc1)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000040049890 431856390 /nfs/dbraw/zinc/85/63/90/431856390.db2.gz LEEAENAFPPICDG-IBGZPJMESA-N 1 0 308.425 3.264 50 0 DGAARO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000040157208 431856518 /nfs/dbraw/zinc/85/65/18/431856518.db2.gz DEKPBXKMAMJQEX-UHFFFAOYSA-N 1 0 317.477 3.340 50 0 DGAARO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000123329831 431861885 /nfs/dbraw/zinc/86/18/85/431861885.db2.gz BGAKGAYVBRNEFT-VIFPVBQESA-N 1 0 320.742 3.040 50 0 DGAARO CS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000089319429 431863202 /nfs/dbraw/zinc/86/32/02/431863202.db2.gz OFFPAQDWPSWJQS-HOTGVXAUSA-N 1 0 321.490 3.496 50 0 DGAARO C[N@@H+](Cc1cccs1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000089363742 431864227 /nfs/dbraw/zinc/86/42/27/431864227.db2.gz RTRMNEUQVSAVEF-CYBMUJFWSA-N 1 0 316.426 3.101 50 0 DGAARO CC(C)n1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)cn1 ZINC000089616486 431872009 /nfs/dbraw/zinc/87/20/09/431872009.db2.gz DUDUJDYZJDFNNS-UONOGXRCSA-N 1 0 300.406 3.142 50 0 DGAARO CC(C)(C)c1nc(C[NH2+]C[C@H]2CCCn3ccnc32)cs1 ZINC000084284819 431820431 /nfs/dbraw/zinc/82/04/31/431820431.db2.gz XVYWBWVPOOWFLP-GFCCVEGCSA-N 1 0 304.463 3.304 50 0 DGAARO CCOc1c(Cl)cc(C[NH2+]CCCn2ccnc2)cc1OC ZINC000035268948 431828741 /nfs/dbraw/zinc/82/87/41/431828741.db2.gz KXMXVCXZBXXOEN-UHFFFAOYSA-N 1 0 323.824 3.124 50 0 DGAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000035270226 431829287 /nfs/dbraw/zinc/82/92/87/431829287.db2.gz YESBJFJJWMHILD-JKSUJKDBSA-N 1 0 302.418 3.128 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036102247 431834936 /nfs/dbraw/zinc/83/49/36/431834936.db2.gz 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313.228 3.217 50 0 DGAARO Brc1cccc(OCC[NH2+]C[C@H]2CCCS2)c1 ZINC000096300587 431944913 /nfs/dbraw/zinc/94/49/13/431944913.db2.gz LDIHYTLBLUSLBN-CYBMUJFWSA-N 1 0 316.264 3.313 50 0 DGAARO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCCCCCC1 ZINC000096402616 431945140 /nfs/dbraw/zinc/94/51/40/431945140.db2.gz CCUANVDPZSDPTH-OAHLLOKOSA-N 1 0 307.482 3.225 50 0 DGAARO CC(=O)Nc1cccc(C[N@H+](C[C@H](O)c2ccccc2)C2CC2)c1 ZINC000096410362 431946133 /nfs/dbraw/zinc/94/61/33/431946133.db2.gz SUVDSGFJMJJQJP-FQEVSTJZSA-N 1 0 324.424 3.343 50 0 DGAARO Cc1cc(C(=O)NCc2cccc(C[NH3+])c2)c2cccc(C)c2n1 ZINC000055325399 431980176 /nfs/dbraw/zinc/98/01/76/431980176.db2.gz DVEKWHOKSUGEFO-UHFFFAOYSA-N 1 0 319.408 3.240 50 0 DGAARO Fc1cccc(CN2CCC([NH2+]C[C@@H]3CCCS3)CC2)c1 ZINC000096479265 431953105 /nfs/dbraw/zinc/95/31/05/431953105.db2.gz DIMGLLSGTRECBC-KRWDZBQOSA-N 1 0 308.466 3.275 50 0 DGAARO Cn1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1=O ZINC000051797350 431953291 /nfs/dbraw/zinc/95/32/91/431953291.db2.gz 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308.853 3.137 50 0 DGAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1F ZINC000183578970 432305123 /nfs/dbraw/zinc/30/51/23/432305123.db2.gz BVCNIPQLMUFJAT-JBLDHEPKSA-N 1 0 314.198 3.176 50 0 DGAARO Cc1cc(N2CCC([N@H+](C)CCCCCF)CC2)nc(C)n1 ZINC000252494793 432379387 /nfs/dbraw/zinc/37/93/87/432379387.db2.gz OFDGXXUGKUPXSX-UHFFFAOYSA-N 1 0 308.445 3.134 50 0 DGAARO C[NH+](C)C[C@@H](NC(=O)NCc1ccoc1)c1ccc(Cl)cc1 ZINC000252494223 432379763 /nfs/dbraw/zinc/37/97/63/432379763.db2.gz NOSNLCQRJPPGCO-OAHLLOKOSA-N 1 0 321.808 3.035 50 0 DGAARO COc1cccc([C@@H]([NH2+]C[C@H]2CCC=CO2)c2ccccn2)c1 ZINC000252494027 432380360 /nfs/dbraw/zinc/38/03/60/432380360.db2.gz NITGOSNGQYHLBL-IEBWSBKVSA-N 1 0 310.397 3.462 50 0 DGAARO CS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000252512780 432382034 /nfs/dbraw/zinc/38/20/34/432382034.db2.gz VNOZQQBCJYOWKV-YHUYYLMFSA-N 1 0 312.523 3.334 50 0 DGAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1 ZINC000252517747 432383090 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432697009 /nfs/dbraw/zinc/69/70/09/432697009.db2.gz MHNMSPSJZMDMPY-UHFFFAOYSA-N 1 0 322.387 3.091 50 0 DGAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000229625894 432721201 /nfs/dbraw/zinc/72/12/01/432721201.db2.gz JEEXKXGUBKZAFD-NVXWUHKLSA-N 1 0 309.413 3.493 50 0 DGAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000229704368 432721280 /nfs/dbraw/zinc/72/12/80/432721280.db2.gz IUXIBHYGDCVOED-QAPCUYQASA-N 1 0 316.445 3.091 50 0 DGAARO O[C@H](C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000229719930 432723385 /nfs/dbraw/zinc/72/33/85/432723385.db2.gz OMEWPFPWQIRGJZ-RDTXWAMCSA-N 1 0 303.352 3.488 50 0 DGAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccc(Cl)cc2[nH]1 ZINC000229868197 432723625 /nfs/dbraw/zinc/72/36/25/432723625.db2.gz KXGIZQGQNHQYEE-BBRMVZONSA-N 1 0 317.820 3.178 50 0 DGAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](CO)Cc1ccccn1 ZINC000222065439 432670246 /nfs/dbraw/zinc/67/02/46/432670246.db2.gz IYDIFYRXURUYNQ-JTDSTZFVSA-N 1 0 310.441 3.379 50 0 DGAARO Cc1cnccc1CNC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000223120870 432675050 /nfs/dbraw/zinc/67/50/50/432675050.db2.gz NTFZPMOFFALGLY-UHFFFAOYSA-N 1 0 315.461 3.195 50 0 DGAARO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000225417480 432689046 /nfs/dbraw/zinc/68/90/46/432689046.db2.gz ZGHLOKGBCVOKIW-CYBMUJFWSA-N 1 0 311.838 3.070 50 0 DGAARO CC(C)c1ccccc1NC(=O)C[C@@H](C)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000225336543 432689230 /nfs/dbraw/zinc/68/92/30/432689230.db2.gz QUEVYFXBMJYIOJ-BZUAXINKSA-N 1 0 317.477 3.209 50 0 DGAARO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(Cl)cc2F)C1(C)C ZINC000225455544 432691841 /nfs/dbraw/zinc/69/18/41/432691841.db2.gz YITARIUEXMTVBH-HOCLYGCPSA-N 1 0 315.816 3.135 50 0 DGAARO Cc1nccnc1[C@@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000275861134 432756141 /nfs/dbraw/zinc/75/61/41/432756141.db2.gz MQNTWJBJDNUTEC-WLYUNCDWSA-N 1 0 319.449 3.336 50 0 DGAARO C[C@@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)[C@@H](c1ccccc1)[NH+](C)C ZINC000241684902 432816601 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C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000178977525 432792545 /nfs/dbraw/zinc/79/25/45/432792545.db2.gz XVKKJGAOYFIWEP-HNNXBMFYSA-N 1 0 310.397 3.160 50 0 DGAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1 ZINC000178988594 432793635 /nfs/dbraw/zinc/79/36/35/432793635.db2.gz JOOSOLMRVFZNJW-XGQHYKRYSA-N 1 0 313.228 3.075 50 0 DGAARO [NH3+]C1(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CCCC1 ZINC000237901032 432804919 /nfs/dbraw/zinc/80/49/19/432804919.db2.gz LWRALQFVMATIEP-UHFFFAOYSA-N 1 0 320.396 3.236 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000241371373 432815759 /nfs/dbraw/zinc/81/57/59/432815759.db2.gz MNASTBWLNFVINY-FHSNZYRGSA-N 1 0 304.409 3.050 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nc(C)nc32)C12CCCCC2 ZINC000245923411 432870520 /nfs/dbraw/zinc/87/05/20/432870520.db2.gz RCCZIPMICSYKBH-HRCADAONSA-N 1 0 318.465 3.139 50 0 DGAARO C[NH2+]CC(=O)NC1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000162995822 432840194 /nfs/dbraw/zinc/84/01/94/432840194.db2.gz VRNXPNKQHSWZSV-UHFFFAOYSA-N 1 0 312.866 3.079 50 0 DGAARO C[C@@H]1C[C@H](NCc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000163458453 432853958 /nfs/dbraw/zinc/85/39/58/432853958.db2.gz CPFZBVXJBWDCCL-ZYHUDNBSSA-N 1 0 304.331 3.417 50 0 DGAARO Fc1ccc2nc(C[NH2+][C@@H]3CCc4ccccc4OC3)oc2c1 ZINC000374622643 433241917 /nfs/dbraw/zinc/24/19/17/433241917.db2.gz TYKCDNTZJRGFPM-CQSZACIVSA-N 1 0 312.344 3.450 50 0 DGAARO O=C(c1ccncc1Cl)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299769847 433382013 /nfs/dbraw/zinc/38/20/13/433382013.db2.gz JGHRETIZMLICCB-UHFFFAOYSA-N 1 0 321.852 3.216 50 0 DGAARO Cc1ccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)o1 ZINC000299794376 433387895 /nfs/dbraw/zinc/38/78/95/433387895.db2.gz JRPXYJSFPWTFLQ-OTWHNJEPSA-N 1 0 324.424 3.430 50 0 DGAARO OCCn1ccc([C@@H]2CCC[N@H+](CCC3CCCCC3)C2)n1 ZINC000426489609 433513217 /nfs/dbraw/zinc/51/32/17/433513217.db2.gz JJBSXUIQPXDXQY-QGZVFWFLSA-N 1 0 305.466 3.025 50 0 DGAARO CCN(CC(F)(F)F)C(=O)c1ccc(-c2cc(N)cc[nH+]2)cc1 ZINC000426496919 433515432 /nfs/dbraw/zinc/51/54/32/433515432.db2.gz OEQCMDPQWGUETJ-UHFFFAOYSA-N 1 0 323.318 3.355 50 0 DGAARO C[NH+]1CCN(Cc2ccc(-c3ccc(Cl)c(F)c3)nc2)CC1 ZINC000426497313 433517729 /nfs/dbraw/zinc/51/77/29/433517729.db2.gz VFMYHLPJZWPEGG-UHFFFAOYSA-N 1 0 319.811 3.289 50 0 DGAARO Cc1c2cccc(F)c2[nH]c1C(=O)NCC[NH+]1CCCCCC1 ZINC000426544672 433527109 /nfs/dbraw/zinc/52/71/09/433527109.db2.gz HXPIWEIXLSAFBN-UHFFFAOYSA-N 1 0 317.408 3.221 50 0 DGAARO O=C(NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCC1 ZINC000426414547 433493364 /nfs/dbraw/zinc/49/33/64/433493364.db2.gz IOZLNTQWSJUTFR-SFHVURJKSA-N 1 0 315.461 3.237 50 0 DGAARO C[NH+](C)Cc1ccc(-c2cc(OC(F)(F)F)ccc2O)nc1 ZINC000426443321 433496840 /nfs/dbraw/zinc/49/68/40/433496840.db2.gz MZYXTXGFYABUCJ-UHFFFAOYSA-N 1 0 312.291 3.414 50 0 DGAARO COc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)ccc1O ZINC000426693689 433562970 /nfs/dbraw/zinc/56/29/70/433562970.db2.gz HLWNIPGHMLRCFN-CQSZACIVSA-N 1 0 313.397 3.461 50 0 DGAARO COc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)ccc1O ZINC000426693688 433563497 /nfs/dbraw/zinc/56/34/97/433563497.db2.gz HLWNIPGHMLRCFN-AWEZNQCLSA-N 1 0 313.397 3.461 50 0 DGAARO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414531610 433697377 /nfs/dbraw/zinc/69/73/77/433697377.db2.gz GRALEBLDDVQFKB-LJIGWXMPSA-N 1 0 305.466 3.302 50 0 DGAARO CC[N@H+](Cc1nc(CCC(C)C)no1)[C@H]1CCOC(C)(C)C1 ZINC000351924826 433791882 /nfs/dbraw/zinc/79/18/82/433791882.db2.gz ISTNONPLGPPJGJ-AWEZNQCLSA-N 1 0 309.454 3.438 50 0 DGAARO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1cncn1C)CCCO2 ZINC000377795492 293712564 /nfs/dbraw/zinc/71/25/64/293712564.db2.gz DUPHEWQSBJNIGO-HNNXBMFYSA-N 1 0 305.809 3.385 50 0 DGAARO COc1c(C)cnc(C[N@H+](C)CCc2scnc2C)c1C ZINC000295091992 434190801 /nfs/dbraw/zinc/19/08/01/434190801.db2.gz FKQVARKJUXCLHH-UHFFFAOYSA-N 1 0 305.447 3.146 50 0 DGAARO C[C@@H]1C[C@@H](NCc2c(F)cccc2Br)CC[N@@H+]1C ZINC000390833405 434369315 /nfs/dbraw/zinc/36/93/15/434369315.db2.gz 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CCCNC(=O)c1cc2sc(C)c(C[NH+]3CCCC3)c2[nH]1 ZINC000075487292 545730128 /nfs/dbraw/zinc/73/01/28/545730128.db2.gz FDBVIIKTENNROX-UHFFFAOYSA-N 1 0 305.447 3.273 50 0 DGAARO Cc1ncc(C[NH2+]C[C@H](O)c2cccs2)n1-c1ccccc1 ZINC000084045548 545782116 /nfs/dbraw/zinc/78/21/16/545782116.db2.gz SAJKXQNPUQZDGW-INIZCTEOSA-N 1 0 313.426 3.065 50 0 DGAARO C[C@H]1CN(CCC[NH2+]Cc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000084706304 545793554 /nfs/dbraw/zinc/79/35/54/545793554.db2.gz YIJIIFAXJSPIFU-IRXDYDNUSA-N 1 0 312.457 3.429 50 0 DGAARO C[C@@H]([NH2+]CCC1=CCOCC1)c1occc1Br ZINC000090809456 545830658 /nfs/dbraw/zinc/83/06/58/545830658.db2.gz NTYWCNIQYDKRBH-SNVBAGLBSA-N 1 0 300.196 3.430 50 0 DGAARO CC(C)=CCN1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC000090891374 545831406 /nfs/dbraw/zinc/83/14/06/545831406.db2.gz UMWRXXGYGKORJQ-LJQANCHMSA-N 1 0 320.452 3.053 50 0 DGAARO CC(=O)N1CCC(CC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091369556 545836752 /nfs/dbraw/zinc/83/67/52/545836752.db2.gz HNYRWLUBFOZVGR-LJQANCHMSA-N 1 0 300.446 3.376 50 0 DGAARO COc1cccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)c1F ZINC000192663631 546235254 /nfs/dbraw/zinc/23/52/54/546235254.db2.gz ALULTKGQTVRZOW-UHFFFAOYSA-N 1 0 302.349 3.083 50 0 DGAARO OCC[C@@H]1CCCCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000342027891 546554386 /nfs/dbraw/zinc/55/43/86/546554386.db2.gz CXTRBVFNXKLCHJ-ZDUSSCGKSA-N 1 0 319.380 3.003 50 0 DGAARO C[C@H]1C[C@@H](NCc2ccc3ccc(F)c(F)c3n2)CC[N@@H+]1C ZINC000585118734 547024647 /nfs/dbraw/zinc/02/46/47/547024647.db2.gz ZWOWWRHIGQWEOD-AAEUAGOBSA-N 1 0 305.372 3.085 50 0 DGAARO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000670439057 547754846 /nfs/dbraw/zinc/75/48/46/547754846.db2.gz ZYIOOFCZNYPKIW-NSHDSACASA-N 1 0 305.315 3.437 50 0 DGAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000670456682 547756547 /nfs/dbraw/zinc/75/65/47/547756547.db2.gz FJJDWVYVIYGCRG-FVQHAEBGSA-N 1 0 315.392 3.358 50 0 DGAARO Fc1ccc2[nH]c(C3CC[NH+]([C@@H]4CCSC4)CC3)nc2c1 ZINC000670469507 547757784 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O=C(c1ccccc1Nc1ccccc1)N1CCC2(C[NH2+]C2)CC1 ZINC000888096806 618625437 /nfs/dbraw/zinc/62/54/37/618625437.db2.gz RPGGDNCAWAJDLS-UHFFFAOYSA-N 1 0 321.424 3.256 50 0 DGAARO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000118533315 621537142 /nfs/dbraw/zinc/53/71/42/621537142.db2.gz YQMJRJFNTXEFIP-GOSISDBHSA-N 1 0 304.434 3.423 50 0 DGAARO CC1=C(c2nc(-c3ccc(C[NH+](C)C)cc3)no2)SCCO1 ZINC000863950353 621721601 /nfs/dbraw/zinc/72/16/01/621721601.db2.gz OCCVCCHBSQDGNN-UHFFFAOYSA-N 1 0 317.414 3.250 50 0 DGAARO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ncco2)cc1 ZINC000863982636 621724179 /nfs/dbraw/zinc/72/41/79/621724179.db2.gz XEVOPAYQLUCMJK-OAHLLOKOSA-N 1 0 317.433 3.246 50 0 DGAARO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)C1(Br)CC1 ZINC000863983636 621724656 /nfs/dbraw/zinc/72/46/56/621724656.db2.gz KHQQPQHFRFJZJO-JSGCOSHPSA-N 1 0 312.251 3.058 50 0 DGAARO COc1cc(Cl)cc(C(=O)N(C)CC[N@H+](C)C2CCCC2)c1 ZINC000952982776 660446357 /nfs/dbraw/zinc/44/63/57/660446357.db2.gz CIWAMXVPVLGBAT-UHFFFAOYSA-N 1 0 324.852 3.295 50 0 DGAARO CC(C)CCc1noc(CN(CC2CCC2)C[C@H]2CCCO2)n1 ZINC000011999052 660499371 /nfs/dbraw/zinc/49/93/71/660499371.db2.gz XEOXDSOKCNKLDD-MRXNPFEDSA-N 1 0 321.465 3.439 50 0 DGAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ncc[nH]4)C3)C2)c1 ZINC000012306540 660527338 /nfs/dbraw/zinc/52/73/38/660527338.db2.gz JBJRUIPYTDFXIC-HXUWFJFHSA-N 1 0 324.472 3.206 50 0 DGAARO COc1ccccc1C[NH2+][C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000012073559 655556829 /nfs/dbraw/zinc/55/68/29/655556829.db2.gz JKLZCAIAAFPULU-MRXNPFEDSA-N 1 0 316.445 3.109 50 0 DGAARO c1ccc(Oc2cccc(OCCCN3CC[NH2+]CC3)c2)cc1 ZINC000022032670 655590680 /nfs/dbraw/zinc/59/06/80/655590680.db2.gz PRVTWYPNKMTCAZ-UHFFFAOYSA-N 1 0 312.413 3.153 50 0 DGAARO CC(C)=CCC[C@@H](C)[N@H+]1CCC(=O)N(Cc2ccccn2)CC1 ZINC000023214517 655805271 /nfs/dbraw/zinc/80/52/71/655805271.db2.gz JJWUVQTYBBXJLQ-QGZVFWFLSA-N 1 0 315.461 3.251 50 0 DGAARO c1cnn(-c2ccc(N3CCC([NH2+]C4CC=CC4)CC3)cc2)c1 ZINC000023367631 655932982 /nfs/dbraw/zinc/93/29/82/655932982.db2.gz 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CC(C)c1nccn1CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000952988623 662210517 /nfs/dbraw/zinc/21/05/17/662210517.db2.gz QXMBWHHTWRUHNY-UHFFFAOYSA-N 1 0 323.444 3.372 50 0 DGAARO C[C@H](CO)C[N@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000063834527 685052476 /nfs/dbraw/zinc/05/24/76/685052476.db2.gz LCFFESMWYOQBOT-HNNXBMFYSA-N 1 0 313.397 3.046 50 0 DGAARO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccnc2Oc2ccccc2F)C1 ZINC000072426267 685058710 /nfs/dbraw/zinc/05/87/10/685058710.db2.gz PGXLWDPLKBYKNA-NWDGAFQWSA-N 1 0 315.348 3.079 50 0 DGAARO Cc1ccc(Cl)c(OCC[N@@H+]2CC[C@@H](O)C[C@@H]2C2CC2)c1 ZINC001772703565 1176671965 /nfs/dbraw/zinc/67/19/65/1176671965.db2.gz MOGLCGJSARJYJA-GDBMZVCRSA-N 1 0 309.837 3.263 50 0 DGAARO COCC1([NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)CCCC1 ZINC001506399663 1186222163 /nfs/dbraw/zinc/22/21/63/1186222163.db2.gz BXLCDWVYHUXTRX-UHFFFAOYSA-N 1 0 324.415 3.482 50 0 DGAARO Cc1cnccc1CN(C)C(=O)[C@@H](C)[N@H+](C)C1CCCCC1 ZINC001506399265 1186222233 /nfs/dbraw/zinc/22/22/33/1186222233.db2.gz CYOWCCUBKAHAML-OAHLLOKOSA-N 1 0 303.450 3.001 50 0 DGAARO CN(C)[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC001506406090 1186222577 /nfs/dbraw/zinc/22/25/77/1186222577.db2.gz YULOUCYJUWILNE-QZTJIDSGSA-N 1 0 323.431 3.006 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC001506406476 1186222605 /nfs/dbraw/zinc/22/26/05/1186222605.db2.gz LENPNUKGDGTLHY-MRXNPFEDSA-N 1 0 322.452 3.271 50 0 DGAARO CCc1nccn1C[C@H](C)[NH2+]CCc1ccc(OC(C)C)cc1 ZINC001506407137 1186223297 /nfs/dbraw/zinc/22/32/97/1186223297.db2.gz ONWPTXDBTHYXKI-INIZCTEOSA-N 1 0 315.461 3.454 50 0 DGAARO c1ccc(N2CC[C@@H]([NH+]3CCC(Oc4ccncc4)CC3)C2)cc1 ZINC001506426609 1186226362 /nfs/dbraw/zinc/22/63/62/1186226362.db2.gz SPJUGQAHFZGRTB-GOSISDBHSA-N 1 0 323.440 3.204 50 0 DGAARO Cc1cccc(N2CCC([NH2+]C[C@H]3CCCOC3)CC2)c1C ZINC001506430459 1186227544 /nfs/dbraw/zinc/22/75/44/1186227544.db2.gz ZUZZQKWOGDBDOF-QGZVFWFLSA-N 1 0 302.462 3.288 50 0 DGAARO Cc1cnn(C2CCCC2)c1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC001506428548 1186227654 /nfs/dbraw/zinc/22/76/54/1186227654.db2.gz XSAPXWBXBOMUET-ZBFHGGJFSA-N 1 0 316.449 3.120 50 0 DGAARO CCCn1nc(C)c(NC(=O)c2cccc(C[NH+](C)C)c2)c1C ZINC001529175003 1187539345 /nfs/dbraw/zinc/53/93/45/1187539345.db2.gz ZVAHRLQLXPHBJC-UHFFFAOYSA-N 1 0 314.433 3.224 50 0 DGAARO Cc1cc(C[NH+]2CCC3(CC2)C[C@](C)(O)CCO3)ccc1F ZINC001704315872 1202520575 /nfs/dbraw/zinc/52/05/75/1202520575.db2.gz PVRUNXNSLXHTKB-QGZVFWFLSA-N 1 0 307.409 3.030 50 0 DGAARO CCc1cnc(C)nc1NC[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC001704330981 1202521391 /nfs/dbraw/zinc/52/13/91/1202521391.db2.gz MNSDCOMNFRYZLK-OAHLLOKOSA-N 1 0 314.433 3.265 50 0 DGAARO CCn1ccc(C[NH+]2CCC3(CC2)OCCc2sccc23)n1 ZINC001704335666 1202521785 /nfs/dbraw/zinc/52/17/85/1202521785.db2.gz CYZHPBUYJKGXAQ-UHFFFAOYSA-N 1 0 317.458 3.029 50 0 DGAARO CCCn1ncc(C[N@@H+]2CCC[C@@]3(CCC[C@H]3OC)C2)c1C ZINC001704338373 1202521859 /nfs/dbraw/zinc/52/18/59/1202521859.db2.gz RXYVKXUTBMHMIT-MSOLQXFVSA-N 1 0 305.466 3.383 50 0 DGAARO C[C@@H]1C[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@H](C)O1 ZINC001704347365 1202522122 /nfs/dbraw/zinc/52/21/22/1202522122.db2.gz BXUONGLPXPAOJC-BETUJISGSA-N 1 0 311.381 3.119 50 0 DGAARO Cc1nnc2n1CC[C@@H]([N@H+](C)Cc1ccc(Cl)c(F)c1)CC2 ZINC000581801298 1083035123 /nfs/dbraw/zinc/03/51/23/1083035123.db2.gz XIZDONWBTFMVMY-ZDUSSCGKSA-N 1 0 322.815 3.216 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)c2ccco2)CC1 ZINC000581808278 1083037214 /nfs/dbraw/zinc/03/72/14/1083037214.db2.gz KQWXKMQSEOSBSC-UHFFFAOYSA-N 1 0 313.401 3.214 50 0 DGAARO CO[C@H]1CN(c2cccc(F)c2)C12CC[NH+](C1CCCC1)CC2 ZINC000581812575 1083038373 /nfs/dbraw/zinc/03/83/73/1083038373.db2.gz ZEVXEUGWHIRRED-SFHVURJKSA-N 1 0 318.436 3.438 50 0 DGAARO c1cnn(C[C@@H]([NH2+]C2CSCCSC2)c2ccccc2)c1 ZINC000820424927 1091624562 /nfs/dbraw/zinc/62/45/62/1091624562.db2.gz RRKUDYIBNWTNBT-MRXNPFEDSA-N 1 0 319.499 3.063 50 0 DGAARO CC[C@@H](C(=O)NCCc1cccc(C(F)(F)F)c1)[N@H+](C)CC ZINC000822555086 1091664845 /nfs/dbraw/zinc/66/48/45/1091664845.db2.gz 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1092046752 /nfs/dbraw/zinc/04/67/52/1092046752.db2.gz QCPGYEYMAOVHMZ-UHFFFAOYSA-N 1 0 303.431 3.114 50 0 DGAARO Cc1cnc(-c2ccncc2)n1C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000575547540 1092047023 /nfs/dbraw/zinc/04/70/23/1092047023.db2.gz IAYBDSPTTULNBE-KRWDZBQOSA-N 1 0 310.445 3.376 50 0 DGAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000575550642 1092047239 /nfs/dbraw/zinc/04/72/39/1092047239.db2.gz XFXCMSAKXYHMMD-INIZCTEOSA-N 1 0 320.396 3.135 50 0 DGAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000575547614 1092048579 /nfs/dbraw/zinc/04/85/79/1092048579.db2.gz MQBGGGQNOUJTQG-QGZVFWFLSA-N 1 0 322.412 3.459 50 0 DGAARO O=C(Cc1ccsc1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581787936 1092270350 /nfs/dbraw/zinc/27/03/50/1092270350.db2.gz KQZANAMIENDBSY-OAHLLOKOSA-N 1 0 306.475 3.015 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)c2cccn2C)CC1 ZINC000581788177 1092272090 /nfs/dbraw/zinc/27/20/90/1092272090.db2.gz WPSYLKVYESMTBX-QGZVFWFLSA-N 1 0 317.477 3.142 50 0 DGAARO O=C(c1ccccc1F)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581788075 1092272830 /nfs/dbraw/zinc/27/28/30/1092272830.db2.gz RRCHBEZTAXLHIM-HNNXBMFYSA-N 1 0 304.409 3.164 50 0 DGAARO Cc1c[nH+]c(C)n1C[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581808095 1092280861 /nfs/dbraw/zinc/28/08/61/1092280861.db2.gz PPNKARGOOKJTIB-MRXNPFEDSA-N 1 0 318.465 3.254 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)NCc2ccccc2)C1 ZINC000581807339 1092281035 /nfs/dbraw/zinc/28/10/35/1092281035.db2.gz IADGPMGUFHOVCH-KRWDZBQOSA-N 1 0 324.428 3.226 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)C2CCCC2)CC1 ZINC000581808631 1092281317 /nfs/dbraw/zinc/28/13/17/1092281317.db2.gz VPIFETGTCTXXAE-UHFFFAOYSA-N 1 0 315.461 3.498 50 0 DGAARO O=c1[nH]c(C[NH2+][C@@H]2CCc3ccccc3OC2)cc2ccccc21 ZINC000585080193 1094970861 /nfs/dbraw/zinc/97/08/61/1094970861.db2.gz DUECXEUMGQHACF-MRXNPFEDSA-N 1 0 320.392 3.424 50 0 DGAARO CCC[NH2+]Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000585086325 1094983619 /nfs/dbraw/zinc/98/36/19/1094983619.db2.gz AEVCRBBSKGRSNQ-UHFFFAOYSA-N 1 0 323.437 3.289 50 0 DGAARO Cc1c[nH]cc1C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000585088367 1094991098 /nfs/dbraw/zinc/99/10/98/1094991098.db2.gz YFORGZPWRSNDSQ-SJLPKXTDSA-N 1 0 309.413 3.080 50 0 DGAARO COc1cnc(F)c(CN[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000585117686 1095014992 /nfs/dbraw/zinc/01/49/92/1095014992.db2.gz SJHCXAIUUSSYJZ-DYVFJYSZSA-N 1 0 317.408 3.010 50 0 DGAARO C[NH+](C)CCc1ccc(NC(=O)Cc2cccnc2Cl)cc1 ZINC000585120901 1095018599 /nfs/dbraw/zinc/01/85/99/1095018599.db2.gz VIRYCUCJJKHPCS-UHFFFAOYSA-N 1 0 317.820 3.020 50 0 DGAARO C[N@@H+]1CC/C(=C\C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000585120820 1095019835 /nfs/dbraw/zinc/01/98/35/1095019835.db2.gz NFSDFOWMRJKFPH-UPTIQUDWSA-N 1 0 324.399 3.293 50 0 DGAARO COc1ccc(-c2noc(C3CC[NH+](C(C)C)CC3)n2)cc1 ZINC000585133604 1095034150 /nfs/dbraw/zinc/03/41/50/1095034150.db2.gz NEEPZUNMNADRCS-UHFFFAOYSA-N 1 0 301.390 3.333 50 0 DGAARO Cc1ccc2nc(C)cc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC000952845887 1096779613 /nfs/dbraw/zinc/77/96/13/1096779613.db2.gz GGXAKKDTIMDBMY-HXUWFJFHSA-N 1 0 323.440 3.067 50 0 DGAARO CC[C@@H](C)Oc1ccc(NC(=O)NCc2cccnc2N)cc1 ZINC000952884177 1096786861 /nfs/dbraw/zinc/78/68/61/1096786861.db2.gz VGIXKIMZOSIFBI-GFCCVEGCSA-N 1 0 314.389 3.163 50 0 DGAARO Cc1ccoc1C(=O)NCC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000885939177 1104328443 /nfs/dbraw/zinc/32/84/43/1104328443.db2.gz UIJRSEVXAJOGRV-KRWDZBQOSA-N 1 0 316.445 3.386 50 0 DGAARO c1cc2cc(C[N@@H+]3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)ccc2[nH]1 ZINC000095496728 185374210 /nfs/dbraw/zinc/37/42/10/185374210.db2.gz BTTHHXPLCUOMCM-PKOBYXMFSA-N 1 0 309.457 3.474 50 0 DGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc1C ZINC000095512231 185376401 /nfs/dbraw/zinc/37/64/01/185376401.db2.gz ZCKLKVOFSCFQBY-RBUKOAKNSA-N 1 0 314.473 3.310 50 0 DGAARO Cc1nn(C)c2nc(NCCC[N@H+](C)C3CCCC3)sc12 ZINC000095527024 185378232 /nfs/dbraw/zinc/37/82/32/185378232.db2.gz RWIWZVDHCHWMAQ-UHFFFAOYSA-N 1 0 307.467 3.015 50 0 DGAARO CC[C@H](C(=O)NCCCOc1ccc(C)cc1)[NH+](CC)CC ZINC000078822577 185115169 /nfs/dbraw/zinc/11/51/69/185115169.db2.gz YXWUMLUNJFKWRH-QGZVFWFLSA-N 1 0 306.450 3.001 50 0 DGAARO COc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000078912984 185127612 /nfs/dbraw/zinc/12/76/12/185127612.db2.gz NONHWWGHXKKTES-UHFFFAOYSA-N 1 0 324.468 3.492 50 0 DGAARO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000078934590 185131313 /nfs/dbraw/zinc/13/13/13/185131313.db2.gz BOEOJBMQOMBPBY-ROJDOSBLSA-N 1 0 304.409 3.029 50 0 DGAARO C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000078952280 185134238 /nfs/dbraw/zinc/13/42/38/185134238.db2.gz PLHDCGLDOZTBEA-JQHSSLGASA-N 1 0 315.461 3.058 50 0 DGAARO CN(Cc1ccco1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278743482 214370094 /nfs/dbraw/zinc/37/00/94/214370094.db2.gz WOIULKTVVJMHFN-IBGZPJMESA-N 1 0 314.429 3.003 50 0 DGAARO COc1cc(OC)cc([C@@H]2CC[N@H+](CCC(F)(F)F)C2)c1 ZINC000083403331 185222226 /nfs/dbraw/zinc/22/22/26/185222226.db2.gz CIDLQWNUFBMMBR-LLVKDONJSA-N 1 0 303.324 3.446 50 0 DGAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1C ZINC000089948809 185270770 /nfs/dbraw/zinc/27/07/70/185270770.db2.gz ANJFSDCCNSLWOK-MJGOQNOKSA-N 1 0 302.462 3.348 50 0 DGAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cc(C)c(C)cc1C ZINC000089948811 185270944 /nfs/dbraw/zinc/27/09/44/185270944.db2.gz ANJFSDCCNSLWOK-IEBWSBKVSA-N 1 0 302.462 3.348 50 0 DGAARO CC[C@@H]1CN(C(=O)CCc2cccc(F)c2)CC[N@@H+]1C(C)C ZINC000082120993 192359589 /nfs/dbraw/zinc/35/95/89/192359589.db2.gz WIUYEPTWSGRAHK-QGZVFWFLSA-N 1 0 306.425 3.090 50 0 DGAARO CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095392106 185351942 /nfs/dbraw/zinc/35/19/42/185351942.db2.gz UWIPKCGTYCMZRD-GOSISDBHSA-N 1 0 312.457 3.267 50 0 DGAARO CN(Cc1ccncc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095400369 185354087 /nfs/dbraw/zinc/35/40/87/185354087.db2.gz OFWBHFNYPLTBPJ-LJQANCHMSA-N 1 0 323.440 3.095 50 0 DGAARO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000095412261 185357889 /nfs/dbraw/zinc/35/78/89/185357889.db2.gz GJIHNXHHEIERHS-HIFRSBDPSA-N 1 0 323.483 3.347 50 0 DGAARO CC[C@@H](CC[NH2+]Cc1cnc(C2CCC2)s1)N1CCCC1=O ZINC000095415462 185358849 /nfs/dbraw/zinc/35/88/49/185358849.db2.gz DYIPFZFWCTVHDJ-AWEZNQCLSA-N 1 0 321.490 3.291 50 0 DGAARO C[NH+](C)CCn1ccc(N[C@@H]2CCSc3ccc(F)cc32)n1 ZINC000095423932 185361281 /nfs/dbraw/zinc/36/12/81/185361281.db2.gz SQWKXFDDFDWUJG-CQSZACIVSA-N 1 0 320.437 3.233 50 0 DGAARO Cc1cc(N2CCC(Cn3ccnn3)CC2)c2ccccc2[nH+]1 ZINC000095435645 185364555 /nfs/dbraw/zinc/36/45/55/185364555.db2.gz PNEGNOIVMRFFMG-UHFFFAOYSA-N 1 0 307.401 3.051 50 0 DGAARO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000095421613 185360669 /nfs/dbraw/zinc/36/06/69/185360669.db2.gz BHRPXRDIWBMLQJ-WCQYABFASA-N 1 0 319.430 3.178 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000095423905 185361072 /nfs/dbraw/zinc/36/10/72/185361072.db2.gz CDYGFJSTHIBSMY-WBVHZDCISA-N 1 0 316.445 3.118 50 0 DGAARO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000095450977 185368939 /nfs/dbraw/zinc/36/89/39/185368939.db2.gz BZKSYKOCFRBCSW-IBGZPJMESA-N 1 0 319.408 3.414 50 0 DGAARO CC[C@H]([NH3+])C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000095466882 185372034 /nfs/dbraw/zinc/37/20/34/185372034.db2.gz LZSYJUBSSDPRNL-AWEZNQCLSA-N 1 0 312.866 3.160 50 0 DGAARO COc1cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc(Cl)c1OC ZINC000095457715 185370376 /nfs/dbraw/zinc/37/03/76/185370376.db2.gz STTWXGBGCLCVGD-VXGBXAGGSA-N 1 0 313.825 3.262 50 0 DGAARO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000097017195 185397402 /nfs/dbraw/zinc/39/74/02/185397402.db2.gz SOJMWKMEIFQMMM-IINYFYTJSA-N 1 0 300.493 3.094 50 0 DGAARO Cc1ncc([C@H](C)[NH2+]CCc2ccc(-n3cccn3)cc2)c(C)n1 ZINC000097016515 185397429 /nfs/dbraw/zinc/39/74/29/185397429.db2.gz BHAFOBLOICSJCQ-AWEZNQCLSA-N 1 0 321.428 3.172 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000097032573 185399437 /nfs/dbraw/zinc/39/94/37/185399437.db2.gz RMOOSVZQDQFIMS-CQSZACIVSA-N 1 0 312.442 3.479 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000097032572 185399541 /nfs/dbraw/zinc/39/95/41/185399541.db2.gz RMOOSVZQDQFIMS-AWEZNQCLSA-N 1 0 312.442 3.479 50 0 DGAARO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1OC ZINC000097117797 185413110 /nfs/dbraw/zinc/41/31/10/185413110.db2.gz BYUJXRRRLOXPSN-OAHLLOKOSA-N 1 0 324.852 3.027 50 0 DGAARO Cc1cc(C(=O)Nc2ccc(C)cc2F)c(C)n1CC[NH+](C)C ZINC000064757178 432009389 /nfs/dbraw/zinc/00/93/89/432009389.db2.gz AJELCJWVOAGOAA-UHFFFAOYSA-N 1 0 317.408 3.366 50 0 DGAARO CCCC[C@@H](CC)C[NH+]1CCC(n2cc(CCCO)nn2)CC1 ZINC000063834419 190699186 /nfs/dbraw/zinc/69/91/86/190699186.db2.gz CZCPLJMWIYMWNP-MRXNPFEDSA-N 1 0 322.497 3.056 50 0 DGAARO CCn1cc(C[NH2+]C2CCN(c3cccc(C)c3C)CC2)cn1 ZINC000065451996 432011939 /nfs/dbraw/zinc/01/19/39/432011939.db2.gz RTPZKEXQWSDBEP-UHFFFAOYSA-N 1 0 312.461 3.278 50 0 DGAARO CC(=O)N1CCC([N@H+](C)C[C@]2(c3ccccc3)CC2(C)C)CC1 ZINC000065370206 432012056 /nfs/dbraw/zinc/01/20/56/432012056.db2.gz XWHOLQXSNYLKDQ-FQEVSTJZSA-N 1 0 314.473 3.297 50 0 DGAARO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C\c1csc(C)n1 ZINC000103722981 432012347 /nfs/dbraw/zinc/01/23/47/432012347.db2.gz VBJDMXYTDUMRHC-XPSMFNQNSA-N 1 0 309.479 3.091 50 0 DGAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C\c1csc(C)n1 ZINC000103722970 432012686 /nfs/dbraw/zinc/01/26/86/432012686.db2.gz VBJDMXYTDUMRHC-ASCRHOAZSA-N 1 0 309.479 3.091 50 0 DGAARO CS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000104273073 432016384 /nfs/dbraw/zinc/01/63/84/432016384.db2.gz NKOYBCRXVPGQSA-MENFKHAKSA-N 1 0 321.486 3.379 50 0 DGAARO CCSCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000070012158 190848794 /nfs/dbraw/zinc/84/87/94/190848794.db2.gz SJEZIETZGHCXHV-UHFFFAOYSA-N 1 0 310.438 3.229 50 0 DGAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2c(C)noc2C)CC1 ZINC000072125473 191041390 /nfs/dbraw/zinc/04/13/90/191041390.db2.gz SXHGBJHEPWABAY-UHFFFAOYSA-N 1 0 312.413 3.414 50 0 DGAARO CC1(C)C[C@H](C[NH+]2CCN(Cc3cccc(F)c3)CC2)CCO1 ZINC000072123960 191041878 /nfs/dbraw/zinc/04/18/78/191041878.db2.gz KWNZCMCQNFSQMJ-QGZVFWFLSA-N 1 0 320.452 3.149 50 0 DGAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc3occc3c2)CC1 ZINC000072132978 191044676 /nfs/dbraw/zinc/04/46/76/191044676.db2.gz VYSLNWDGWVWLKI-HNNXBMFYSA-N 1 0 301.390 3.381 50 0 DGAARO CCC[N@@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072144318 191050924 /nfs/dbraw/zinc/05/09/24/191050924.db2.gz OMBXWIDSSJSQQT-RCCFBDPRSA-N 1 0 306.400 3.237 50 0 DGAARO CCNc1ncc(C[N@H+](C)Cc2cccc3ncccc23)cn1 ZINC000072149081 191054044 /nfs/dbraw/zinc/05/40/44/191054044.db2.gz PMORFAGZBGUFOT-UHFFFAOYSA-N 1 0 307.401 3.089 50 0 DGAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000072151963 191057782 /nfs/dbraw/zinc/05/77/82/191057782.db2.gz DWYKFVGVLYZLKH-IBGZPJMESA-N 1 0 321.428 3.133 50 0 DGAARO CC(C)[N@@H+]1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072163681 191063467 /nfs/dbraw/zinc/06/34/67/191063467.db2.gz FPDWCYHYDWFMLX-KZNAEPCWSA-N 1 0 306.400 3.235 50 0 DGAARO Cc1cc(C)nc(CN(C)C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)c1 ZINC000072165196 191065908 /nfs/dbraw/zinc/06/59/08/191065908.db2.gz WOGDDSKRCFKWGD-MRXNPFEDSA-N 1 0 323.440 3.048 50 0 DGAARO Cc1ccccc1C[NH+]1CCN(C[C@@H](C)C(F)(F)F)CC1 ZINC000072170095 191067800 /nfs/dbraw/zinc/06/78/00/191067800.db2.gz XHZXJVXUBXCOCK-CQSZACIVSA-N 1 0 300.368 3.311 50 0 DGAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000072230532 191078380 /nfs/dbraw/zinc/07/83/80/191078380.db2.gz MALKNOHSLUTMSX-IBGZPJMESA-N 1 0 313.445 3.050 50 0 DGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(N(C)C)c2)o1 ZINC000072274458 191097357 /nfs/dbraw/zinc/09/73/57/191097357.db2.gz CUJWQLXMRIZPMB-UHFFFAOYSA-N 1 0 310.401 3.334 50 0 DGAARO O=C1OCCN1c1cccc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000066974107 432024838 /nfs/dbraw/zinc/02/48/38/432024838.db2.gz CHSKKPIKHMUKMG-UHFFFAOYSA-N 1 0 318.323 3.211 50 0 DGAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2cccs2)n1 ZINC000072282341 191103075 /nfs/dbraw/zinc/10/30/75/191103075.db2.gz APCPMVDYDWJSDV-TZMCWYRMSA-N 1 0 303.431 3.072 50 0 DGAARO Clc1cnc(NCC[NH2+]C[C@H]2CCSC2)c(Cl)c1 ZINC000225611004 186283371 /nfs/dbraw/zinc/28/33/71/186283371.db2.gz UYWCQYIBTFMKNS-SECBINFHSA-N 1 0 306.262 3.143 50 0 DGAARO C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000072313287 191119710 /nfs/dbraw/zinc/11/97/10/191119710.db2.gz CSQBDUMVACLGMJ-LSDHHAIUSA-N 1 0 304.434 3.454 50 0 DGAARO O=C1CC[C@H]2C[N@H+](CC3CC3)CC[C@H]2N1CCc1cccs1 ZINC000072406907 191153166 /nfs/dbraw/zinc/15/31/66/191153166.db2.gz WCVKKDQDVSRZHR-DOTOQJQBSA-N 1 0 318.486 3.014 50 0 DGAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1cc[nH]c1 ZINC000072433237 191164775 /nfs/dbraw/zinc/16/47/75/191164775.db2.gz GZIABCOTHSPPAJ-UHFFFAOYSA-N 1 0 303.450 3.276 50 0 DGAARO c1ccc(CC[N@@H+]2CCC[C@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000072457805 191173466 /nfs/dbraw/zinc/17/34/66/191173466.db2.gz MJARCHJGKJTGEY-FQEVSTJZSA-N 1 0 322.456 3.012 50 0 DGAARO c1cn(CCC2=CCCCC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072477257 191179579 /nfs/dbraw/zinc/17/95/79/191179579.db2.gz RIKUTZILGOJSCW-UHFFFAOYSA-N 1 0 311.433 3.130 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCN(CCc3cccnc3)C2)CC1 ZINC000172809449 198152178 /nfs/dbraw/zinc/15/21/78/198152178.db2.gz XYRCLVTWECRHIY-LJQANCHMSA-N 1 0 301.478 3.068 50 0 DGAARO O=C(c1cccc(F)c1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000000317714 180757764 /nfs/dbraw/zinc/75/77/64/180757764.db2.gz PQTWBPWWGMFWCZ-UHFFFAOYSA-N 1 0 304.409 3.306 50 0 DGAARO CN(C)C(=O)c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 ZINC000000394266 180775896 /nfs/dbraw/zinc/77/58/96/180775896.db2.gz PNGCVLMSXCZTMQ-UHFFFAOYSA-N 1 0 310.204 3.031 50 0 DGAARO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000000448462 180794567 /nfs/dbraw/zinc/79/45/67/180794567.db2.gz OMAHUFXJRWCFJB-LJQANCHMSA-N 1 0 311.425 3.101 50 0 DGAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccncc1 ZINC000002227458 180915870 /nfs/dbraw/zinc/91/58/70/180915870.db2.gz PZUVTFZRWUJJPS-UHFFFAOYSA-N 1 0 323.444 3.385 50 0 DGAARO C[C@H](C[NH+]1CCCCCC1)NCc1cc(-c2ccco2)on1 ZINC000067642194 432033463 /nfs/dbraw/zinc/03/34/63/432033463.db2.gz VJULVWDTXRXYAO-CQSZACIVSA-N 1 0 303.406 3.289 50 0 DGAARO Cc1c[nH+]ccc1NCCNC(=O)c1cc2ccccc2s1 ZINC000067713918 432035040 /nfs/dbraw/zinc/03/50/40/432035040.db2.gz JHQOKTAKIYWANO-UHFFFAOYSA-N 1 0 311.410 3.447 50 0 DGAARO COc1cccc(C[NH2+]CCO)c1OCc1ccc(Cl)cc1 ZINC000003644681 181043448 /nfs/dbraw/zinc/04/34/48/181043448.db2.gz JYSCACHDEZUHSN-UHFFFAOYSA-N 1 0 321.804 3.010 50 0 DGAARO COc1ccc(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000004101687 181073294 /nfs/dbraw/zinc/07/32/94/181073294.db2.gz YIVHOLITJPZWJI-CQSZACIVSA-N 1 0 305.422 3.081 50 0 DGAARO CC(C)n1cc2cc(NC(=O)[C@]3(C)CCCC[NH2+]3)ccc2n1 ZINC000236799882 202015567 /nfs/dbraw/zinc/01/55/67/202015567.db2.gz MRGNRVCEQBYTAS-KRWDZBQOSA-N 1 0 300.406 3.088 50 0 DGAARO O=C(NC[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cncs1 ZINC000067755226 432038682 /nfs/dbraw/zinc/03/86/82/432038682.db2.gz VIJXJUXBOGJGAM-CQSZACIVSA-N 1 0 321.490 3.308 50 0 DGAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)[C@@H](C)c3ccccn3)cc2c1 ZINC000067756741 432038998 /nfs/dbraw/zinc/03/89/98/432038998.db2.gz IXQHLWRXWBOHLS-ZDUSSCGKSA-N 1 0 323.396 3.125 50 0 DGAARO CC(=O)N(CCC[NH+](C)C)c1nc2cc(C)cc(C)c2s1 ZINC000004478819 181112247 /nfs/dbraw/zinc/11/22/47/181112247.db2.gz VUWSWJGXBHDBSL-UHFFFAOYSA-N 1 0 305.447 3.218 50 0 DGAARO CCCCNC(=O)C1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000004680083 181135803 /nfs/dbraw/zinc/13/58/03/181135803.db2.gz TZXXTIVLCNBJEK-UHFFFAOYSA-N 1 0 302.462 3.377 50 0 DGAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000004690658 181137026 /nfs/dbraw/zinc/13/70/26/181137026.db2.gz XKRVLDOOZITUBH-UHFFFAOYSA-N 1 0 318.461 3.166 50 0 DGAARO CC1(C)CC(NC(=O)CCCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000004722445 181142467 /nfs/dbraw/zinc/14/24/67/181142467.db2.gz BAADFARAMLLQLM-UHFFFAOYSA-N 1 0 302.462 3.435 50 0 DGAARO COc1ccccc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000004745912 181147016 /nfs/dbraw/zinc/14/70/16/181147016.db2.gz VNSPAGDXDAWZBG-UHFFFAOYSA-N 1 0 316.445 3.032 50 0 DGAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[NH2+][C@@H](C)C1 ZINC000067840140 432041914 /nfs/dbraw/zinc/04/19/14/432041914.db2.gz IRFPYQGZWHNILV-NSHDSACASA-N 1 0 305.809 3.097 50 0 DGAARO O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3)CC2)CCN1 ZINC000067818417 432042528 /nfs/dbraw/zinc/04/25/28/432042528.db2.gz PYIKECSIOCQAHK-UHFFFAOYSA-N 1 0 306.837 3.222 50 0 DGAARO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000067819870 432043109 /nfs/dbraw/zinc/04/31/09/432043109.db2.gz ICXPLOQNEVWDPN-OAHLLOKOSA-N 1 0 310.397 3.160 50 0 DGAARO [NH3+]C[C@@H]1Cc2cc(-c3nccc4occc43)cc(Cl)c2O1 ZINC000067846892 432043918 /nfs/dbraw/zinc/04/39/18/432043918.db2.gz IUJCUTVRZVGNOU-NSHDSACASA-N 1 0 300.745 3.410 50 0 DGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000067847569 432044355 /nfs/dbraw/zinc/04/43/55/432044355.db2.gz QKVVHUKZTSHIPI-QGZVFWFLSA-N 1 0 311.429 3.132 50 0 DGAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000067935264 432046385 /nfs/dbraw/zinc/04/63/85/432046385.db2.gz MPXIFCSBRLJCOJ-GASCZTMLSA-N 1 0 317.820 3.240 50 0 DGAARO O=C(c1cc2sccc2[nH]1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067935389 432047091 /nfs/dbraw/zinc/04/70/91/432047091.db2.gz PZXGQGATLZCDKL-UHFFFAOYSA-N 1 0 317.458 3.225 50 0 DGAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCO)o1 ZINC000004999729 181188288 /nfs/dbraw/zinc/18/82/88/181188288.db2.gz IUBQRYIXLHENNZ-UHFFFAOYSA-N 1 0 310.191 3.099 50 0 DGAARO C[C@@H](C1CCN(c2cc(C3CC3)ncn2)CC1)[NH+]1CCCC1 ZINC000077390773 191706974 /nfs/dbraw/zinc/70/69/74/191706974.db2.gz YRSBAPKFAHOULQ-AWEZNQCLSA-N 1 0 300.450 3.055 50 0 DGAARO CC1(C)CC(=O)c2ccc(OCC[NH+]3CCCCC3)cc2O1 ZINC000005302797 181227662 /nfs/dbraw/zinc/22/76/62/181227662.db2.gz ACBJKTYPIRHGJQ-UHFFFAOYSA-N 1 0 303.402 3.295 50 0 DGAARO CC[NH+](CC)[C@@H](C)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000005591636 181261119 /nfs/dbraw/zinc/26/11/19/181261119.db2.gz JIBDQUYVHSTHGS-INIZCTEOSA-N 1 0 302.462 3.345 50 0 DGAARO C[NH2+]C1CCN(C(=O)c2sc3ccc(OC)cc3c2C)CC1 ZINC000237161994 202171545 /nfs/dbraw/zinc/17/15/45/202171545.db2.gz UFPAWUYCYQVVDK-UHFFFAOYSA-N 1 0 318.442 3.042 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2sc3cccc(F)c3c2C)C1 ZINC000237268276 202210937 /nfs/dbraw/zinc/21/09/37/202210937.db2.gz WGFVNOFJVZGNOV-LBPRGKRZSA-N 1 0 320.433 3.420 50 0 DGAARO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1nc(N)c2ccccc2n1 ZINC000170591822 432073241 /nfs/dbraw/zinc/07/32/41/432073241.db2.gz QAOAZNJYADMQNB-CQSZACIVSA-N 1 0 321.428 3.144 50 0 DGAARO C[C@H](CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[NH+](C)C ZINC000170610224 432073426 /nfs/dbraw/zinc/07/34/26/432073426.db2.gz FFSGYFYUEAIKOY-GFCCVEGCSA-N 1 0 301.434 3.145 50 0 DGAARO C[C@@H](CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[NH+](C)C ZINC000170610222 432073397 /nfs/dbraw/zinc/07/33/97/432073397.db2.gz FFSGYFYUEAIKOY-LBPRGKRZSA-N 1 0 301.434 3.145 50 0 DGAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179780585 199079808 /nfs/dbraw/zinc/07/98/08/199079808.db2.gz KJRXRCQKDHTRLL-MRXNPFEDSA-N 1 0 322.412 3.118 50 0 DGAARO Cc1ccc(F)cc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000180092968 199117005 /nfs/dbraw/zinc/11/70/05/199117005.db2.gz LSDUXMPLBIZPJX-UHFFFAOYSA-N 1 0 314.408 3.025 50 0 DGAARO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000237356324 202243529 /nfs/dbraw/zinc/24/35/29/202243529.db2.gz RNUXKOBCHFLDNU-DYVFJYSZSA-N 1 0 312.388 3.303 50 0 DGAARO C[NH+](C)CCNc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000005937060 181297972 /nfs/dbraw/zinc/29/79/72/181297972.db2.gz YIXLWYIQKTVQGX-UHFFFAOYSA-N 1 0 316.405 3.471 50 0 DGAARO Cc1ccc(F)c(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000089618722 192827129 /nfs/dbraw/zinc/82/71/29/192827129.db2.gz NDFPXHYESDVWCJ-UHFFFAOYSA-N 1 0 307.413 3.376 50 0 DGAARO C[C@H](c1ccccn1)[N@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000189140970 200355148 /nfs/dbraw/zinc/35/51/48/200355148.db2.gz XJOFQIHROGEJOA-MRXNPFEDSA-N 1 0 323.440 3.049 50 0 DGAARO C[NH+](C)CCNC(=O)N(Cc1cccc2ccccc21)C1CC1 ZINC000426503471 237974675 /nfs/dbraw/zinc/97/46/75/237974675.db2.gz HGQIUIVTOFOKBO-UHFFFAOYSA-N 1 0 311.429 3.075 50 0 DGAARO [NH3+][C@@H]1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000178351348 283592443 /nfs/dbraw/zinc/59/24/43/283592443.db2.gz IAMVQQGRUSMRMC-MRVPVSSYSA-N 1 0 315.225 3.381 50 0 DGAARO Cc1cc(N2CCC([NH2+]C[C@H](C)c3ccccc3)CC2)nc(C)n1 ZINC000194565383 201252454 /nfs/dbraw/zinc/25/24/54/201252454.db2.gz AWNMCULBXQYQPL-HNNXBMFYSA-N 1 0 324.472 3.456 50 0 DGAARO CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1cc(-c2ccccc2)on1 ZINC000244795100 202497606 /nfs/dbraw/zinc/49/76/06/202497606.db2.gz QZLSEVQQYFIGSE-MAUKXSAKSA-N 1 0 311.429 3.258 50 0 DGAARO Cc1ccc([C@H](CNC(=O)Nc2ncccc2C)[NH+](C)C)cc1 ZINC000195254154 201368412 /nfs/dbraw/zinc/36/84/12/201368412.db2.gz ZYLWAWNKENHGHM-INIZCTEOSA-N 1 0 312.417 3.123 50 0 DGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCCOc2ccccc2C)C1 ZINC000006703290 181374540 /nfs/dbraw/zinc/37/45/40/181374540.db2.gz CFZXLTWGMFQSOI-KRWDZBQOSA-N 1 0 319.445 3.429 50 0 DGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCCOc2cccc(C)c2)C1 ZINC000006704335 181375112 /nfs/dbraw/zinc/37/51/12/181375112.db2.gz RSGVPYZSJCWTHH-QGZVFWFLSA-N 1 0 319.445 3.429 50 0 DGAARO Cn1ccnc1C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000091320784 193040151 /nfs/dbraw/zinc/04/01/51/193040151.db2.gz YABNBDQOCCLNDW-UHFFFAOYSA-N 1 0 313.445 3.459 50 0 DGAARO CC(C)[C@@H]1CN(Cc2cc3cc(F)ccc3n2C)C[C@H]1[NH+](C)C ZINC000091586722 193075131 /nfs/dbraw/zinc/07/51/31/193075131.db2.gz JSQOEWSYNKMQEA-PKOBYXMFSA-N 1 0 317.452 3.335 50 0 DGAARO CCC[C@]1(CO)CCC[N@H+](Cc2cn3ccc(C)cc3n2)C1 ZINC000091665694 193088284 /nfs/dbraw/zinc/08/82/84/193088284.db2.gz OOIUAJNCTHQOJJ-SFHVURJKSA-N 1 0 301.434 3.017 50 0 DGAARO CCCn1ccnc1CN1C[C@H]2CC[C@H](C[N@H+]2CC=C(C)C)C1 ZINC000091625446 193081224 /nfs/dbraw/zinc/08/12/24/193081224.db2.gz JPTCFAPNURMXAA-ZWKOTPCHSA-N 1 0 316.493 3.156 50 0 DGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000091793048 193108942 /nfs/dbraw/zinc/10/89/42/193108942.db2.gz VCDHSQBZNYZHBM-UHFFFAOYSA-N 1 0 322.399 3.189 50 0 DGAARO CC(C)Cc1cc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)on1 ZINC000091830914 193114712 /nfs/dbraw/zinc/11/47/12/193114712.db2.gz GRSUZGKMBNIKPV-UHFFFAOYSA-N 1 0 321.465 3.258 50 0 DGAARO Cc1nc(C[N@@H+]2CCC[C@@](CO)(CC3CC3)C2)c2ccccn12 ZINC000091914625 193125991 /nfs/dbraw/zinc/12/59/91/193125991.db2.gz MUCQSJBNXLZKLV-LJQANCHMSA-N 1 0 313.445 3.017 50 0 DGAARO c1cn(Cc2ccccn2)c(C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000091997705 193138704 /nfs/dbraw/zinc/13/87/04/193138704.db2.gz BLZCIALZLCPZDO-UHFFFAOYSA-N 1 0 319.412 3.105 50 0 DGAARO C[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000089905065 296099678 /nfs/dbraw/zinc/09/96/78/296099678.db2.gz WSOBWNKYEJGMLB-ACJLOTCBSA-N 1 0 300.446 3.083 50 0 DGAARO Cn1cccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000092965541 193189874 /nfs/dbraw/zinc/18/98/74/193189874.db2.gz KAEXJONZHHKFID-UHFFFAOYSA-N 1 0 315.392 3.015 50 0 DGAARO CCc1oc2ccccc2c1C[NH+]1CCC(CC(=O)NC)CC1 ZINC000093588056 193269643 /nfs/dbraw/zinc/26/96/43/193269643.db2.gz XQCIUINGVQJYFV-UHFFFAOYSA-N 1 0 314.429 3.343 50 0 DGAARO NC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000093809279 193310458 /nfs/dbraw/zinc/31/04/58/193310458.db2.gz ALFXLXPFZUGDSF-JTQLQIEISA-N 1 0 301.217 3.081 50 0 DGAARO c1ncc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000093840956 193316491 /nfs/dbraw/zinc/31/64/91/193316491.db2.gz XADQWUJHDBOQFL-GFCCVEGCSA-N 1 0 302.447 3.125 50 0 DGAARO CC(=O)N1CCC(CC[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093946911 193331632 /nfs/dbraw/zinc/33/16/32/193331632.db2.gz CAUWZDJEYIYHRM-OAHLLOKOSA-N 1 0 317.477 3.052 50 0 DGAARO C(CC1CC[NH+](C2CCCC2)CC1)Nc1nnc(C2CC2)o1 ZINC000095368653 193435204 /nfs/dbraw/zinc/43/52/04/193435204.db2.gz SJBNUIJREDFTDD-UHFFFAOYSA-N 1 0 304.438 3.404 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000095968492 193465595 /nfs/dbraw/zinc/46/55/95/193465595.db2.gz HHTLSUVGQNATNS-OCCSQVGLSA-N 1 0 302.349 3.453 50 0 DGAARO O=C(NC(C1CC1)C1CC1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000095953305 193457005 /nfs/dbraw/zinc/45/70/05/193457005.db2.gz RDJIXYHGQUMPRQ-QGZVFWFLSA-N 1 0 319.493 3.225 50 0 DGAARO Cc1cc(C)n(C[C@@H](C)C[NH2+][C@H](C)c2cnn(C(C)C)c2)n1 ZINC000096476627 193662467 /nfs/dbraw/zinc/66/24/67/193662467.db2.gz RWMXGOZQJTUSCI-XJKSGUPXSA-N 1 0 303.454 3.264 50 0 DGAARO C[NH+](C)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000008707931 181576274 /nfs/dbraw/zinc/57/62/74/181576274.db2.gz MVQHIRNAFAMTRL-UHFFFAOYSA-N 1 0 316.832 3.374 50 0 DGAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(C)=O)ccc21 ZINC000009942048 181649196 /nfs/dbraw/zinc/64/91/96/181649196.db2.gz IXHKOOWPDAWYDQ-UHFFFAOYSA-N 1 0 314.433 3.391 50 0 DGAARO CC(C)(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135590540 432128112 /nfs/dbraw/zinc/12/81/12/432128112.db2.gz PSWDEUVQBHVFMJ-UHFFFAOYSA-N 1 0 303.446 3.366 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000016580065 182050623 /nfs/dbraw/zinc/05/06/23/182050623.db2.gz JANQYGXXJKEMRS-UHFFFAOYSA-N 1 0 301.217 3.208 50 0 DGAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000016602539 182051808 /nfs/dbraw/zinc/05/18/08/182051808.db2.gz APZVSNNUXNZYNI-UHFFFAOYSA-N 1 0 314.454 3.451 50 0 DGAARO C[NH+]1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000016602555 182051909 /nfs/dbraw/zinc/05/19/09/182051909.db2.gz APHOCKQLKGBPBG-UHFFFAOYSA-N 1 0 308.425 3.029 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000016603456 182052255 /nfs/dbraw/zinc/05/22/55/182052255.db2.gz NVYSZEHJWKMYRK-GFCCVEGCSA-N 1 0 306.475 3.087 50 0 DGAARO CCCOc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000016604025 182052681 /nfs/dbraw/zinc/05/26/81/182052681.db2.gz BBZUTDMQLNFBCD-UHFFFAOYSA-N 1 0 304.434 3.078 50 0 DGAARO CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000016607065 182053236 /nfs/dbraw/zinc/05/32/36/182053236.db2.gz GOMBOPGIJTUABY-CQSZACIVSA-N 1 0 306.425 3.343 50 0 DGAARO Cc1ccc(C)c(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c1 ZINC000019227492 182108999 /nfs/dbraw/zinc/10/89/99/182108999.db2.gz LABKDRADQWIFSG-IBGZPJMESA-N 1 0 318.505 3.218 50 0 DGAARO CCOc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019536227 182129023 /nfs/dbraw/zinc/12/90/23/182129023.db2.gz GOSJDVDWGXYJRE-UHFFFAOYSA-N 1 0 310.441 3.403 50 0 DGAARO COc1ccc(OC)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019688792 182136906 /nfs/dbraw/zinc/13/69/06/182136906.db2.gz LVEUORKAEYEUPQ-GOSISDBHSA-N 1 0 308.381 3.420 50 0 DGAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000019744062 182142067 /nfs/dbraw/zinc/14/20/67/182142067.db2.gz GQZYDBXDLWQALZ-CQSZACIVSA-N 1 0 319.470 3.482 50 0 DGAARO CC[C@H](C)[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000019789281 182149201 /nfs/dbraw/zinc/14/92/01/182149201.db2.gz NBOLGEHWXMFVKW-ZDUSSCGKSA-N 1 0 311.267 3.365 50 0 DGAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100406 182186668 /nfs/dbraw/zinc/18/66/68/182186668.db2.gz CSOCMEVVZPBTFM-ZDUSSCGKSA-N 1 0 308.853 3.467 50 0 DGAARO Cc1cc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)nn1C ZINC000020203860 182197454 /nfs/dbraw/zinc/19/74/54/182197454.db2.gz CUZCSNICTBNSRZ-UHFFFAOYSA-N 1 0 301.409 3.322 50 0 DGAARO c1ccc(-c2ccc(OCCCCN3CC[NH2+]CC3)cc2)cc1 ZINC000020272175 182201539 /nfs/dbraw/zinc/20/15/39/182201539.db2.gz PLQTZPKVVIBHAD-UHFFFAOYSA-N 1 0 310.441 3.418 50 0 DGAARO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(Br)cc1 ZINC000020506306 182226111 /nfs/dbraw/zinc/22/61/11/182226111.db2.gz PZUNKKSRPODPGY-GFCCVEGCSA-N 1 0 308.223 3.387 50 0 DGAARO C[NH+](C)Cn1cc(CC(=O)N2CCCCCC2)c2ccccc21 ZINC000020650014 182241014 /nfs/dbraw/zinc/24/10/14/182241014.db2.gz MLHATYWAYWNJRK-UHFFFAOYSA-N 1 0 313.445 3.106 50 0 DGAARO Cc1cc(OCCN2CC[NH+](C)CC2)c(Cl)c(C)c1Cl ZINC000020653131 182242393 /nfs/dbraw/zinc/24/23/93/182242393.db2.gz ZUQYBWVJNDRNQV-UHFFFAOYSA-N 1 0 317.260 3.236 50 0 DGAARO c1cc(-c2cn(CC3CC[NH+](C4CCC4)CC3)nn2)cs1 ZINC000020905830 182253695 /nfs/dbraw/zinc/25/36/95/182253695.db2.gz JYLIKWWHTVMQPV-UHFFFAOYSA-N 1 0 302.447 3.271 50 0 DGAARO CC(C)(C)C[N@@H+]1CCN(C/C=C/c2ccccc2)C[C@@H]1CCO ZINC000020778561 182246944 /nfs/dbraw/zinc/24/69/44/182246944.db2.gz MQJLKFHWELRIHH-VQFGERMISA-N 1 0 316.489 3.115 50 0 DGAARO CNC(=O)c1cccc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000097772996 193755827 /nfs/dbraw/zinc/75/58/27/193755827.db2.gz QXLNPUAUJFUSMF-AWEZNQCLSA-N 1 0 309.413 3.265 50 0 DGAARO Cc1cccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1C ZINC000021783233 182288262 /nfs/dbraw/zinc/28/82/62/182288262.db2.gz HXIKRUVKBWFTIA-UHFFFAOYSA-N 1 0 323.440 3.483 50 0 DGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1occc1C ZINC000021960997 182300483 /nfs/dbraw/zinc/30/04/83/182300483.db2.gz LDHNGRCXOXCBHS-UHFFFAOYSA-N 1 0 300.402 3.360 50 0 DGAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccncc1 ZINC000022414049 182320974 /nfs/dbraw/zinc/32/09/74/182320974.db2.gz RDRBGKPYQISHCZ-UHFFFAOYSA-N 1 0 301.434 3.000 50 0 DGAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCN(C)CC1 ZINC000022459112 182322443 /nfs/dbraw/zinc/32/24/43/182322443.db2.gz KRNJRVDKYMRTOO-HXUWFJFHSA-N 1 0 320.440 3.208 50 0 DGAARO O=C(NCCC[NH2+]C1CCCCC1)c1cccc2cccnc21 ZINC000022501100 182323843 /nfs/dbraw/zinc/32/38/43/182323843.db2.gz UJAOXXHHHYNXMD-UHFFFAOYSA-N 1 0 311.429 3.277 50 0 DGAARO C[C@@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1ccccn1 ZINC000023675461 182366227 /nfs/dbraw/zinc/36/62/27/182366227.db2.gz MYVLQGOAUNKBJF-QAPCUYQASA-N 1 0 322.408 3.325 50 0 DGAARO C[C@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1ccccn1 ZINC000023675464 182366261 /nfs/dbraw/zinc/36/62/61/182366261.db2.gz MYVLQGOAUNKBJF-YJBOKZPZSA-N 1 0 322.408 3.325 50 0 DGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccnc1 ZINC000024535709 182382380 /nfs/dbraw/zinc/38/23/80/182382380.db2.gz FVJFTCWJNODJST-KRWDZBQOSA-N 1 0 310.401 3.040 50 0 DGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccnc1 ZINC000024535708 182382859 /nfs/dbraw/zinc/38/28/59/182382859.db2.gz FVJFTCWJNODJST-QGZVFWFLSA-N 1 0 310.401 3.040 50 0 DGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000031337914 182611471 /nfs/dbraw/zinc/61/14/71/182611471.db2.gz PGUHRZAJZWKCIA-UHFFFAOYSA-N 1 0 314.816 3.128 50 0 DGAARO CC(C)(C)[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000032616938 182650766 /nfs/dbraw/zinc/65/07/66/182650766.db2.gz OFUBZEMPUGFWBP-UHFFFAOYSA-N 1 0 323.400 3.343 50 0 DGAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)Nc1cccs1 ZINC000038489583 183000195 /nfs/dbraw/zinc/00/01/95/183000195.db2.gz MOFRLWZGEAECDM-UHFFFAOYSA-N 1 0 319.430 3.375 50 0 DGAARO CCc1cc(C(=O)c2ccccc2Cl)c(NC(=O)C[NH3+])s1 ZINC000039247000 183015745 /nfs/dbraw/zinc/01/57/45/183015745.db2.gz IZDCQDAHLOWCSG-UHFFFAOYSA-N 1 0 322.817 3.092 50 0 DGAARO Cc1ccccc1CN1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000039445157 183018427 /nfs/dbraw/zinc/01/84/27/183018427.db2.gz RHIPJWVCDSYPCS-HXUWFJFHSA-N 1 0 316.489 3.196 50 0 DGAARO Clc1cc(Br)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000039953917 183023749 /nfs/dbraw/zinc/02/37/49/183023749.db2.gz SOTCZGOZEGZYOA-SECBINFHSA-N 1 0 304.615 3.481 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000040107581 183036167 /nfs/dbraw/zinc/03/61/67/183036167.db2.gz FKKIBBQBJJJFON-TXEJJXNPSA-N 1 0 312.816 3.187 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000040107583 183036361 /nfs/dbraw/zinc/03/63/61/183036361.db2.gz FKKIBBQBJJJFON-VXGBXAGGSA-N 1 0 312.816 3.187 50 0 DGAARO COc1cccc(CN(C(=O)OC(C)(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC000040449729 183068550 /nfs/dbraw/zinc/06/85/50/183068550.db2.gz WMPMUXOZONKSTJ-OAHLLOKOSA-N 1 0 320.433 3.184 50 0 DGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1nccs1 ZINC000042754916 183305219 /nfs/dbraw/zinc/30/52/19/183305219.db2.gz VJZSNUYWKVNYRZ-UHFFFAOYSA-N 1 0 316.430 3.061 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2)CC1 ZINC000042932126 183319958 /nfs/dbraw/zinc/31/99/58/183319958.db2.gz MFAYGJLQXJXDMI-UHFFFAOYSA-N 1 0 323.868 3.260 50 0 DGAARO Cc1cc(O[C@@H]2CC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042774458 183307874 /nfs/dbraw/zinc/30/78/74/183307874.db2.gz WRDGRLQUIQECGU-SECBINFHSA-N 1 0 304.615 3.460 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccncc1 ZINC000043136981 183340501 /nfs/dbraw/zinc/34/05/01/183340501.db2.gz RPBMLBNJRYPJNO-HNNXBMFYSA-N 1 0 314.389 3.023 50 0 DGAARO Cc1csc2nc(C[NH2+][C@H](C)c3cccc(F)c3)cc(=O)n12 ZINC000043303317 183353248 /nfs/dbraw/zinc/35/32/48/183353248.db2.gz LEZSFSVQGVJKQQ-LLVKDONJSA-N 1 0 317.389 3.054 50 0 DGAARO COc1cc(F)ccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000044234161 183399657 /nfs/dbraw/zinc/39/96/57/183399657.db2.gz VMMULGVVNIUZHH-UHFFFAOYSA-N 1 0 323.412 3.076 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)CC(F)(F)F)c1ccsc1 ZINC000046945916 183575002 /nfs/dbraw/zinc/57/50/02/183575002.db2.gz LYVZNUYFRXUUKL-NSHDSACASA-N 1 0 308.369 3.200 50 0 DGAARO COc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCO3)cc1F ZINC000047698350 183602924 /nfs/dbraw/zinc/60/29/24/183602924.db2.gz NBIFVPZOXOEJEQ-NSHDSACASA-N 1 0 303.333 3.414 50 0 DGAARO Cc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c2cccc(C)c2n1 ZINC000055153966 183966841 /nfs/dbraw/zinc/96/68/41/183966841.db2.gz RVHVJRQMEKIOSS-UHFFFAOYSA-N 1 0 311.429 3.018 50 0 DGAARO CN(C)C(=O)CC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000057846987 184057426 /nfs/dbraw/zinc/05/74/26/184057426.db2.gz OMMJKFMPSYRKCX-UHFFFAOYSA-N 1 0 302.340 3.008 50 0 DGAARO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000058166261 184083500 /nfs/dbraw/zinc/08/35/00/184083500.db2.gz KHHJLROQSIKVAP-UHFFFAOYSA-N 1 0 323.868 3.083 50 0 DGAARO O=C(NCCC[NH+]1CCCC1)Nc1ccccc1C(F)(F)F ZINC000058196367 184086730 /nfs/dbraw/zinc/08/67/30/184086730.db2.gz HZVUASNDOBCOEX-UHFFFAOYSA-N 1 0 315.339 3.313 50 0 DGAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc3[nH]c(C)c(C)c3c1)CN2 ZINC000058292645 184101279 /nfs/dbraw/zinc/10/12/79/184101279.db2.gz IENAEQVLWIFGSX-MRXNPFEDSA-N 1 0 323.444 3.121 50 0 DGAARO Clc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)c(Cl)c1 ZINC000058300198 184102821 /nfs/dbraw/zinc/10/28/21/184102821.db2.gz XNJVQDOIQOCSDL-SNVBAGLBSA-N 1 0 311.216 3.021 50 0 DGAARO O=C(Nc1cccc2cnccc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058312700 184104299 /nfs/dbraw/zinc/10/42/99/184104299.db2.gz RSTMWQNRXNYAHP-INIZCTEOSA-N 1 0 324.428 3.327 50 0 DGAARO COc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000058313809 184104464 /nfs/dbraw/zinc/10/44/64/184104464.db2.gz PPZFGQFWVMCFTI-KDOFPFPSSA-N 1 0 319.449 3.327 50 0 DGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000058392980 184111781 /nfs/dbraw/zinc/11/17/81/184111781.db2.gz MCNZQZKACIUOHO-SFHVURJKSA-N 1 0 312.461 3.344 50 0 DGAARO CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000058392899 184112018 /nfs/dbraw/zinc/11/20/18/184112018.db2.gz SFKRJXZWLQOKJI-UHFFFAOYSA-N 1 0 306.413 3.493 50 0 DGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000058392982 184112024 /nfs/dbraw/zinc/11/20/24/184112024.db2.gz MCNZQZKACIUOHO-GOSISDBHSA-N 1 0 312.461 3.344 50 0 DGAARO C[C@@H](CNC(=O)c1cc2ccccc2o1)C[NH+]1CCCCC1 ZINC000058393568 184112731 /nfs/dbraw/zinc/11/27/31/184112731.db2.gz GBKXGSILUMATFF-AWEZNQCLSA-N 1 0 300.402 3.285 50 0 DGAARO CC[C@H]([NH2+]Cc1c(C)nn(C)c1N(C)C)c1ccccc1OC ZINC000058405571 184113740 /nfs/dbraw/zinc/11/37/40/184113740.db2.gz RBHKIYZUSVHKJZ-INIZCTEOSA-N 1 0 316.449 3.044 50 0 DGAARO COc1c(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)c(C)nn1C ZINC000058421757 184116512 /nfs/dbraw/zinc/11/65/12/184116512.db2.gz QHQDZOUDMPANMY-UHFFFAOYSA-N 1 0 312.417 3.125 50 0 DGAARO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000058444879 184118851 /nfs/dbraw/zinc/11/88/51/184118851.db2.gz VENIGNOOLJUNBY-UHFFFAOYSA-N 1 0 324.302 3.155 50 0 DGAARO CC(C)C[NH+]1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000058666350 184126128 /nfs/dbraw/zinc/12/61/28/184126128.db2.gz FLDGPTJVFQQJOC-UHFFFAOYSA-N 1 0 302.344 3.028 50 0 DGAARO O=C(c1cc2c(s1)CCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000058937027 184132433 /nfs/dbraw/zinc/13/24/33/184132433.db2.gz CQFYGINCBRXUQU-UHFFFAOYSA-N 1 0 318.486 3.327 50 0 DGAARO C[NH+](C)C1(CNC(=O)CCc2ccc(F)cc2)CCCCC1 ZINC000060886415 184157547 /nfs/dbraw/zinc/15/75/47/184157547.db2.gz GFVGDWZZWWFRBT-UHFFFAOYSA-N 1 0 306.425 3.139 50 0 DGAARO C[NH+]1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000061031519 184160562 /nfs/dbraw/zinc/16/05/62/184160562.db2.gz FMBWJHMAUOLSLX-UHFFFAOYSA-N 1 0 322.452 3.296 50 0 DGAARO CCOC(=O)C1CC[NH+](Cc2cnoc2-c2ccccc2)CC1 ZINC000065288893 184323536 /nfs/dbraw/zinc/32/35/36/184323536.db2.gz QBMVPKLSLBIUBU-UHFFFAOYSA-N 1 0 314.385 3.117 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000065362383 184328166 /nfs/dbraw/zinc/32/81/66/184328166.db2.gz NAMLMPLQAJOHTG-UHFFFAOYSA-N 1 0 300.358 3.005 50 0 DGAARO C[C@@H](CC(F)(F)F)[NH2+]Cc1cnn(-c2cccc(F)c2)c1 ZINC000065371437 184329919 /nfs/dbraw/zinc/32/99/19/184329919.db2.gz STGFPXWNRPOZGH-JTQLQIEISA-N 1 0 301.287 3.442 50 0 DGAARO COC(C)(C)C[C@H](C)[NH2+]Cc1nc(-c2ccccc2C)no1 ZINC000065407383 184339151 /nfs/dbraw/zinc/33/91/51/184339151.db2.gz WRQAEBXWQKDFTQ-ZDUSSCGKSA-N 1 0 303.406 3.338 50 0 DGAARO COC(C)(C)C[C@@H](C)[NH2+]C1CCN(Cc2cccc(O)c2)CC1 ZINC000065418907 184341411 /nfs/dbraw/zinc/34/14/11/184341411.db2.gz GYSWBSQGTAWIEB-OAHLLOKOSA-N 1 0 320.477 3.150 50 0 DGAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000065404448 184337940 /nfs/dbraw/zinc/33/79/40/184337940.db2.gz LKBQFSREGZEGEW-OAHLLOKOSA-N 1 0 314.385 3.400 50 0 DGAARO CC[N@@H+]1CCC[C@@H](c2c(-c3ccccc3)ncn2CCCO)C1 ZINC000065405105 184337999 /nfs/dbraw/zinc/33/79/99/184337999.db2.gz HHIVRWGQTVMUOE-QGZVFWFLSA-N 1 0 313.445 3.132 50 0 DGAARO C[NH+](C)CCSc1nnc(Cc2c(F)cccc2Cl)o1 ZINC000066257625 184399212 /nfs/dbraw/zinc/39/92/12/184399212.db2.gz IRZMNPWDKBZUAS-UHFFFAOYSA-N 1 0 315.801 3.107 50 0 DGAARO O=C(Nc1cccc2ccccc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000067695607 184480707 /nfs/dbraw/zinc/48/07/07/184480707.db2.gz LKUQNZCQKIHNDZ-UHFFFAOYSA-N 1 0 309.413 3.447 50 0 DGAARO C[C@@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1cccnc1 ZINC000069485132 184518518 /nfs/dbraw/zinc/51/85/18/184518518.db2.gz TYKZFTYKSNWKDC-GFCCVEGCSA-N 1 0 314.414 3.477 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000069489684 184519245 /nfs/dbraw/zinc/51/92/45/184519245.db2.gz AYOGBIUIMSCALS-IRXDYDNUSA-N 1 0 315.392 3.006 50 0 DGAARO [NH3+][C@@H]1CCCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000158188158 197251236 /nfs/dbraw/zinc/25/12/36/197251236.db2.gz FIHBXZRIBLKXBD-CQSZACIVSA-N 1 0 316.426 3.135 50 0 DGAARO Cn1cncc1C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157041653 197157207 /nfs/dbraw/zinc/15/72/07/197157207.db2.gz XZUJQAPUUDQOQE-CQSZACIVSA-N 1 0 319.836 3.365 50 0 DGAARO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Cl)cc21)C1CCC1 ZINC000156934762 197150896 /nfs/dbraw/zinc/15/08/96/197150896.db2.gz BIDHQTVRQJGVNN-HZMBPMFUSA-N 1 0 313.850 3.337 50 0 DGAARO Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000156177311 197092877 /nfs/dbraw/zinc/09/28/77/197092877.db2.gz AAPSWUCVMIVDJW-INIZCTEOSA-N 1 0 316.449 3.038 50 0 DGAARO CC(C)=CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365163231 257235031 /nfs/dbraw/zinc/23/50/31/257235031.db2.gz ONUPMRGQPCHQLI-NVXWUHKLSA-N 1 0 305.466 3.001 50 0 DGAARO c1sc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1Cc1ccccc1 ZINC000364631212 257235113 /nfs/dbraw/zinc/23/51/13/257235113.db2.gz HMLGYRBMNHIRDJ-HOTGVXAUSA-N 1 0 300.427 3.270 50 0 DGAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000095378013 257272030 /nfs/dbraw/zinc/27/20/30/257272030.db2.gz DTRXURLQORAEMY-AWEZNQCLSA-N 1 0 321.856 3.194 50 0 DGAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)CC(C)(C)[NH+]1CCCCC1 ZINC000216492666 257273223 /nfs/dbraw/zinc/27/32/23/257273223.db2.gz APXADFUEVLTFEC-UHFFFAOYSA-N 1 0 315.505 3.328 50 0 DGAARO Cc1cc(C2CCC2)nc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000071762705 257270537 /nfs/dbraw/zinc/27/05/37/257270537.db2.gz USSJLJVRYMIVJU-SFHVURJKSA-N 1 0 308.429 3.203 50 0 DGAARO OCCCC[NH2+]C1CCN(c2cccc(-c3ccco3)c2)CC1 ZINC000063855554 134814544 /nfs/dbraw/zinc/81/45/44/134814544.db2.gz XMHNEDPKIVVNQJ-UHFFFAOYSA-N 1 0 314.429 3.278 50 0 DGAARO CC[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1 ZINC000090920347 400082380 /nfs/dbraw/zinc/08/23/80/400082380.db2.gz ASTYGFPEHHNYBQ-GOSISDBHSA-N 1 0 309.417 3.062 50 0 DGAARO Cc1cc(F)ccc1N1CCC([N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000584887817 400120862 /nfs/dbraw/zinc/12/08/62/400120862.db2.gz DJZUPPSISICBNO-HNNXBMFYSA-N 1 0 306.425 3.071 50 0 DGAARO OC[C@@H]([C@H](O)c1ccc(-c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000096027518 400274025 /nfs/dbraw/zinc/27/40/25/400274025.db2.gz LOPVLYSUSHJOQX-VQTJNVASSA-N 1 0 311.425 3.234 50 0 DGAARO O=C(c1ccc(C[NH2+][C@H]2CCCSC2)cc1)N1CCCCC1 ZINC000097370921 400284178 /nfs/dbraw/zinc/28/41/78/400284178.db2.gz ORQHSSCKOOMKLM-KRWDZBQOSA-N 1 0 318.486 3.298 50 0 DGAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000097231533 400284845 /nfs/dbraw/zinc/28/48/45/400284845.db2.gz BKHNRUYZQFZMMY-KDOFPFPSSA-N 1 0 321.428 3.280 50 0 DGAARO C[N@@H+]1C[C@@H](CNC(=O)c2c(F)cccc2F)C2(C1)CCCCC2 ZINC000409420246 400301519 /nfs/dbraw/zinc/30/15/19/400301519.db2.gz KRPRVTGTICSUFC-CYBMUJFWSA-N 1 0 322.399 3.207 50 0 DGAARO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncnc2c3ccccc3oc21 ZINC000072291277 400378918 /nfs/dbraw/zinc/37/89/18/400378918.db2.gz DCUYBADQUKEBJJ-AWEZNQCLSA-N 1 0 310.401 3.152 50 0 DGAARO C[NH+](C)CCOc1nc(-c2ccccc2)nnc1-c1ccccc1 ZINC000034578959 400385862 /nfs/dbraw/zinc/38/58/62/400385862.db2.gz PIPSJVFMXGGQLT-UHFFFAOYSA-N 1 0 320.396 3.146 50 0 DGAARO O=C(C1CCC1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106580869 400329391 /nfs/dbraw/zinc/32/93/91/400329391.db2.gz SZCARAWXDWVJCR-RBUKOAKNSA-N 1 0 312.457 3.442 50 0 DGAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CC(=O)N[C@H](C)c1cccs1 ZINC000110642538 400358444 /nfs/dbraw/zinc/35/84/44/400358444.db2.gz JFAKIHSRALTZPJ-MBNYWOFBSA-N 1 0 312.504 3.141 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cnc(-c3ccccc3)nc2)c1 ZINC000071882152 400371845 /nfs/dbraw/zinc/37/18/45/400371845.db2.gz FKLKEVIANWYPQV-HOTGVXAUSA-N 1 0 321.428 3.388 50 0 DGAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000072268636 400376826 /nfs/dbraw/zinc/37/68/26/400376826.db2.gz XAXNDIMJIMNTIS-JKSUJKDBSA-N 1 0 306.475 3.156 50 0 DGAARO C[C@H](CCc1ccccc1)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000072273289 400376887 /nfs/dbraw/zinc/37/68/87/400376887.db2.gz JUQJOOCKDTUXNX-AEFFLSMTSA-N 1 0 302.462 3.103 50 0 DGAARO C[C@@H](CCc1ccccc1)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000072273288 400377123 /nfs/dbraw/zinc/37/71/23/400377123.db2.gz JUQJOOCKDTUXNX-WMZOPIPTSA-N 1 0 302.462 3.103 50 0 DGAARO Cc1ccccc1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000072286492 400378040 /nfs/dbraw/zinc/37/80/40/400378040.db2.gz XMQMHSQUSCIWTA-IAGOWNOFSA-N 1 0 302.462 3.335 50 0 DGAARO Cc1ccccc1[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000072286490 400378419 /nfs/dbraw/zinc/37/84/19/400378419.db2.gz XMQMHSQUSCIWTA-SJORKVTESA-N 1 0 302.462 3.335 50 0 DGAARO CCCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000124596011 400477084 /nfs/dbraw/zinc/47/70/84/400477084.db2.gz JODYJXZAQBOBLH-RYUDHWBXSA-N 1 0 304.360 3.207 50 0 DGAARO Cc1ncccc1C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000131454377 400550859 /nfs/dbraw/zinc/55/08/59/400550859.db2.gz ZQOZMAPFUMOBQR-JKSUJKDBSA-N 1 0 319.449 3.316 50 0 DGAARO Cc1ncsc1C(=O)OC1CC[NH+](Cc2ccsc2)CC1 ZINC000076090946 400633979 /nfs/dbraw/zinc/63/39/79/400633979.db2.gz VCPVFJAMVORDMX-UHFFFAOYSA-N 1 0 322.455 3.334 50 0 DGAARO c1ccc(CCc2noc(C[NH+]3C[C@H]4CC=CC[C@@H]4C3)n2)cc1 ZINC000075768006 400611021 /nfs/dbraw/zinc/61/10/21/400611021.db2.gz BXMSBTITCCLTRL-IAGOWNOFSA-N 1 0 309.413 3.253 50 0 DGAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3cccc(C)c3)C2)CC1 ZINC000169781502 400760987 /nfs/dbraw/zinc/76/09/87/400760987.db2.gz CKSZTKHCEFZKFR-IBGZPJMESA-N 1 0 300.446 3.075 50 0 DGAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000078898181 400831709 /nfs/dbraw/zinc/83/17/09/400831709.db2.gz JIYOVAYKOHNFAO-BLLLJJGKSA-N 1 0 306.837 3.077 50 0 DGAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000078898188 400831909 /nfs/dbraw/zinc/83/19/09/400831909.db2.gz TUIGPYDRXPCELE-WBMJQRKESA-N 1 0 306.837 3.077 50 0 DGAARO O[C@@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccncc1 ZINC000195560792 400925219 /nfs/dbraw/zinc/92/52/19/400925219.db2.gz AUNIRMAGBREALY-OALUTQOASA-N 1 0 323.371 3.028 50 0 DGAARO O[C@@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 ZINC000195560593 400925789 /nfs/dbraw/zinc/92/57/89/400925789.db2.gz UZMCAPVSEXKTNH-WMZOPIPTSA-N 1 0 312.344 3.226 50 0 DGAARO C[C@@H]1CC[C@@H](C[NH+]2CCC(OCc3ccccc3F)CC2)O1 ZINC000225598169 400957872 /nfs/dbraw/zinc/95/78/72/400957872.db2.gz HUUUNAYJZGXZED-PBHICJAKSA-N 1 0 307.409 3.374 50 0 DGAARO c1ccc(OCC[N@H+](C[C@@H]2CCC=CO2)C2CCOCC2)cc1 ZINC000225585542 400957928 /nfs/dbraw/zinc/95/79/28/400957928.db2.gz GITMGTZOSCLKOB-IBGZPJMESA-N 1 0 317.429 3.239 50 0 DGAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000249038583 401080757 /nfs/dbraw/zinc/08/07/57/401080757.db2.gz CRSBVLHKAIZWOD-CGTJXYLNSA-N 1 0 317.477 3.158 50 0 DGAARO CC[NH+](CC)CCNC(=O)c1cc2cn(C3CC3)cc2s1 ZINC000065285578 401263488 /nfs/dbraw/zinc/26/34/88/401263488.db2.gz HKSBFFHOXOVXIA-UHFFFAOYSA-N 1 0 305.447 3.109 50 0 DGAARO CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 ZINC000089948237 401246584 /nfs/dbraw/zinc/24/65/84/401246584.db2.gz WTLRNINHCAGIAS-UTUOFQBUSA-N 1 0 316.371 3.386 50 0 DGAARO CC[C@@H]1CC[C@H]([NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 ZINC000089948235 401246640 /nfs/dbraw/zinc/24/66/40/401246640.db2.gz WTLRNINHCAGIAS-WOPDTQHZSA-N 1 0 316.371 3.386 50 0 DGAARO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000066203244 401297015 /nfs/dbraw/zinc/29/70/15/401297015.db2.gz YWOUEXVIORDIKE-DOTOQJQBSA-N 1 0 303.450 3.263 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nc(C(C)C)nc32)C1(C)C ZINC000245885933 286293048 /nfs/dbraw/zinc/29/30/48/286293048.db2.gz LMLJOYQFPRFQSL-BFHYXJOUSA-N 1 0 306.454 3.030 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C12CCCC2 ZINC000108376684 286401344 /nfs/dbraw/zinc/40/13/44/286401344.db2.gz JBDQQZCBUQMFOD-QLFBSQMISA-N 1 0 311.466 3.434 50 0 DGAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000136475404 432156211 /nfs/dbraw/zinc/15/62/11/432156211.db2.gz ULGFMPIXDGJACU-GDBMZVCRSA-N 1 0 324.424 3.429 50 0 DGAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2cccs2)n1 ZINC000246762733 432163200 /nfs/dbraw/zinc/16/32/00/432163200.db2.gz APCPMVDYDWJSDV-JSGCOSHPSA-N 1 0 303.431 3.072 50 0 DGAARO C[C@H](O)[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000136833554 432163742 /nfs/dbraw/zinc/16/37/42/432163742.db2.gz ZAGNCWIRSNRLBU-HOCLYGCPSA-N 1 0 305.466 3.061 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000191073214 432218466 /nfs/dbraw/zinc/21/84/66/432218466.db2.gz CRSBVLHKAIZWOD-SZMVWBNQSA-N 1 0 317.477 3.158 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)C1 ZINC000299740024 229375008 /nfs/dbraw/zinc/37/50/08/229375008.db2.gz USRQYFKZXPHBRG-NEBZKDRISA-N 1 0 306.837 3.029 50 0 DGAARO C[NH+](C)CC[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 ZINC000299760110 229406549 /nfs/dbraw/zinc/40/65/49/229406549.db2.gz RNKCXYHTMLIDCH-ZDUSSCGKSA-N 1 0 302.340 3.138 50 0 DGAARO CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000493308916 287632467 /nfs/dbraw/zinc/63/24/67/287632467.db2.gz WSXDVNRRBRHNPB-BMFHMBFWSA-N 1 0 316.445 3.215 50 0 DGAARO Cc1ccncc1CCC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000348139798 264350507 /nfs/dbraw/zinc/35/05/07/264350507.db2.gz JRZHHPABTQXIBX-FQEVSTJZSA-N 1 0 310.441 3.266 50 0 DGAARO CC(C)(O)C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000354964663 265927896 /nfs/dbraw/zinc/92/78/96/265927896.db2.gz IXVYVQLTYXZZEP-MRXNPFEDSA-N 1 0 304.821 3.379 50 0 DGAARO C[NH+]1CCN(c2cc(C(F)(F)F)nc3ccc(F)cc32)CC1 ZINC000000171498 273899508 /nfs/dbraw/zinc/89/95/08/273899508.db2.gz BYGZAZCPGUDAQG-UHFFFAOYSA-N 1 0 313.298 3.145 50 0 DGAARO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000095961372 274295728 /nfs/dbraw/zinc/29/57/28/274295728.db2.gz QOFVXUYZARLGQV-QWHCGFSZSA-N 1 0 319.836 3.358 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000012760681 274384239 /nfs/dbraw/zinc/38/42/39/274384239.db2.gz SVTMYFSTVMOJMI-HUUCEWRRSA-N 1 0 318.465 3.305 50 0 DGAARO C[C@H]([C@H](C)[NH2+]Cc1cnc(-c2ccccc2)nc1)n1cccn1 ZINC000069434591 274543155 /nfs/dbraw/zinc/54/31/55/274543155.db2.gz NPJUIGHPMBVODV-LSDHHAIUSA-N 1 0 307.401 3.079 50 0 DGAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000242389475 275048765 /nfs/dbraw/zinc/04/87/65/275048765.db2.gz ZXMOQZQELRBDMB-LKTVYLICSA-N 1 0 310.235 3.187 50 0 DGAARO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000089937491 275465511 /nfs/dbraw/zinc/46/55/11/275465511.db2.gz IRLXNXHHBBZRNB-XHDPSFHLSA-N 1 0 314.351 3.052 50 0 DGAARO CCCc1nnc(NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000095380112 276057655 /nfs/dbraw/zinc/05/76/55/276057655.db2.gz FAIGGUIJQTWLRE-OAHLLOKOSA-N 1 0 318.396 3.410 50 0 DGAARO CC(C)(C)CCN1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082138328 277140655 /nfs/dbraw/zinc/14/06/55/277140655.db2.gz LSPNRDIEUCDBHF-UHFFFAOYSA-N 1 0 301.434 3.004 50 0 DGAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000096479350 277331893 /nfs/dbraw/zinc/33/18/93/277331893.db2.gz XKSOWUJRVZZBFR-DZGCQCFKSA-N 1 0 304.434 3.140 50 0 DGAARO CO[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000095412283 277335095 /nfs/dbraw/zinc/33/50/95/277335095.db2.gz SLCPSCONXUPUPB-IRXDYDNUSA-N 1 0 303.450 3.119 50 0 DGAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)cc1 ZINC000000526548 277936376 /nfs/dbraw/zinc/93/63/76/277936376.db2.gz RQWIEAZGOSQJEN-GOSISDBHSA-N 1 0 308.381 3.420 50 0 biogenic DGAARO C[C@@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(F)cc2)N1O ZINC000003904801 278436335 /nfs/dbraw/zinc/43/63/35/278436335.db2.gz UDZHZPJBFYXBMS-SJKOYZFVSA-N 1 0 300.333 3.091 50 0 DGAARO Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000000007368 431112215 /nfs/dbraw/zinc/11/22/15/431112215.db2.gz SQKXYSGRELMAAU-UHFFFAOYSA-N 1 0 319.408 3.053 50 0 world DGAARO C[NH+]1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000000143909 431133564 /nfs/dbraw/zinc/13/35/64/431133564.db2.gz ISTAMDOKBVHVBX-UHFFFAOYSA-N 1 0 304.397 3.049 50 0 DGAARO Clc1ccc([C@@H]2[NH2+]CCc3cc4c(cc32)OCCO4)cc1 ZINC000000140503 431133985 /nfs/dbraw/zinc/13/39/85/431133985.db2.gz VJKFUDOPNYBESG-KRWDZBQOSA-N 1 0 301.773 3.346 50 0 DGAARO Cc1ncsc1CC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000108360634 431135004 /nfs/dbraw/zinc/13/50/04/431135004.db2.gz AWFGNESDHGVXGY-WFASDCNBSA-N 1 0 324.396 3.080 50 0 DGAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(OC)c1OC ZINC000000172156 431139176 /nfs/dbraw/zinc/13/91/76/431139176.db2.gz QNTRFXKBHRZQKY-UHFFFAOYSA-N 1 0 301.386 3.311 50 0 biogenic DGAARO COc1ccc(C(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000207731 431143598 /nfs/dbraw/zinc/14/35/98/431143598.db2.gz SJJGUXCJNPEBAW-UHFFFAOYSA-N 1 0 316.445 3.176 50 0 DGAARO c1ccc2c(c1)CC[N@@H+](C1CCN(Cc3cccnc3)CC1)C2 ZINC000000316789 431166132 /nfs/dbraw/zinc/16/61/32/431166132.db2.gz QVWUCNPONKFHAL-UHFFFAOYSA-N 1 0 307.441 3.104 50 0 DGAARO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000069161081 431166744 /nfs/dbraw/zinc/16/67/44/431166744.db2.gz CDGPRRLFOUGVCF-ZDUSSCGKSA-N 1 0 324.856 3.182 50 0 DGAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000069368398 431180703 /nfs/dbraw/zinc/18/07/03/431180703.db2.gz DYEPKCCEIDOMOL-NEPJUHHUSA-N 1 0 309.845 3.133 50 0 DGAARO c1csc(CNc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000000426456 431181048 /nfs/dbraw/zinc/18/10/48/431181048.db2.gz RBILQSCYUFMHCR-UHFFFAOYSA-N 1 0 307.382 3.489 50 0 DGAARO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000069452833 431186227 /nfs/dbraw/zinc/18/62/27/431186227.db2.gz FHAZBSNYKFJLEM-MRXNPFEDSA-N 1 0 322.412 3.035 50 0 DGAARO O=C(CC[N@@H+]1CCCC[C@H]1c1cccnc1)NCc1ccccc1 ZINC000000489158 431192925 /nfs/dbraw/zinc/19/29/25/431192925.db2.gz HSOJWICESYHYSM-IBGZPJMESA-N 1 0 323.440 3.315 50 0 biogenic DGAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1cccnc1)NCc1ccccc1 ZINC000000489160 431193885 /nfs/dbraw/zinc/19/38/85/431193885.db2.gz HSOJWICESYHYSM-LJQANCHMSA-N 1 0 323.440 3.315 50 0 biogenic DGAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(F)cc(N2CCCC2)c1 ZINC000069527574 431194735 /nfs/dbraw/zinc/19/47/35/431194735.db2.gz UHFWOXOCVDFNNR-QGZVFWFLSA-N 1 0 319.424 3.239 50 0 DGAARO COc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000000518629 431195986 /nfs/dbraw/zinc/19/59/86/431195986.db2.gz VXDPQMMZUVIUEI-NVXWUHKLSA-N 1 0 303.402 3.117 50 0 biogenic,in-vitro DGAARO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000069518421 431196920 /nfs/dbraw/zinc/19/69/20/431196920.db2.gz KHTYKGGMEKPUPZ-KBPBESRZSA-N 1 0 301.390 3.156 50 0 DGAARO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000069518423 431196973 /nfs/dbraw/zinc/19/69/73/431196973.db2.gz KHTYKGGMEKPUPZ-UONOGXRCSA-N 1 0 301.390 3.156 50 0 DGAARO COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)c(C)c1C ZINC000000239311 431150163 /nfs/dbraw/zinc/15/01/63/431150163.db2.gz OVFOUAGCZSMCEE-UHFFFAOYSA-N 1 0 311.429 3.029 50 0 DGAARO CCN(CC)c1c2ccccc2oc(=O)c1C[NH+]1CCCC1 ZINC000000236908 431151030 /nfs/dbraw/zinc/15/10/30/431151030.db2.gz ISAQAANHJSOUNM-UHFFFAOYSA-N 1 0 300.402 3.235 50 0 DGAARO CCOc1ccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000000250033 431154486 /nfs/dbraw/zinc/15/44/86/431154486.db2.gz CEONUKADDXRNBN-HUUCEWRRSA-N 1 0 319.449 3.470 50 0 DGAARO CCCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)s1 ZINC000069585607 431203379 /nfs/dbraw/zinc/20/33/79/431203379.db2.gz PDEPUQALCIZDMV-ZIAGYGMSSA-N 1 0 321.490 3.103 50 0 DGAARO O=C([C@H]1CC=CCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069742153 431220831 /nfs/dbraw/zinc/22/08/31/431220831.db2.gz HQQZVJKPPLOKPG-MSOLQXFVSA-N 1 0 304.478 3.457 50 0 DGAARO CCCSCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000069892731 431229197 /nfs/dbraw/zinc/22/91/97/431229197.db2.gz VWDGQQQZJUWGOJ-UHFFFAOYSA-N 1 0 321.490 3.274 50 0 DGAARO CC[NH+](CC)CCNC(=O)C1(c2ccccc2)CCCCC1 ZINC000001656332 431232443 /nfs/dbraw/zinc/23/24/43/431232443.db2.gz BLTLCFIYVWASBU-UHFFFAOYSA-N 1 0 302.462 3.347 50 0 DGAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)NCCc1ccccc1 ZINC000069922761 431232525 /nfs/dbraw/zinc/23/25/25/431232525.db2.gz HGJGWKGPQDOIRH-HXUWFJFHSA-N 1 0 322.452 3.225 50 0 DGAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000069971579 431234685 /nfs/dbraw/zinc/23/46/85/431234685.db2.gz WMDDRPASWMHJIV-GFCCVEGCSA-N 1 0 320.820 3.418 50 0 DGAARO COc1ccc2cc(-c3ccccc3NC(=O)C[NH3+])ccc2c1 ZINC000071278843 431276505 /nfs/dbraw/zinc/27/65/05/431276505.db2.gz PGADDPCMDMYLES-UHFFFAOYSA-N 1 0 306.365 3.413 50 0 DGAARO COCCC[NH2+]CCOCCOc1ccc(C(C)C)c(C)c1 ZINC000003000556 431279544 /nfs/dbraw/zinc/27/95/44/431279544.db2.gz OYJAMJBJRVORSO-UHFFFAOYSA-N 1 0 309.450 3.140 50 0 DGAARO c1ccc(-c2ccc(N3CCC4(CC[NH2+]CC4)CC3)nn2)cc1 ZINC000071575616 431281441 /nfs/dbraw/zinc/28/14/41/431281441.db2.gz IIOUTUJPEQHPKQ-UHFFFAOYSA-N 1 0 308.429 3.114 50 0 DGAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1csc(-c2ccccc2)n1 ZINC000071589457 431282107 /nfs/dbraw/zinc/28/21/07/431282107.db2.gz ZAKHKVROVOEXIG-OAHLLOKOSA-N 1 0 317.458 3.142 50 0 DGAARO C[NH+](C)Cc1csc(-c2nccn2CCc2cccnc2)c1 ZINC000071439464 431284500 /nfs/dbraw/zinc/28/45/00/431284500.db2.gz UQUYWXLBORVXIH-UHFFFAOYSA-N 1 0 312.442 3.311 50 0 DGAARO COc1ccc(C[NH2+]C(C)(C)c2ccc3c(c2)OCO3)cc1O ZINC000071792572 431285641 /nfs/dbraw/zinc/28/56/41/431285641.db2.gz ZYZYZZWLDOWUFX-UHFFFAOYSA-N 1 0 315.369 3.154 50 0 DGAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000004311517 431296946 /nfs/dbraw/zinc/29/69/46/431296946.db2.gz VQLPEFMVRAUFFW-ZNMIVQPWSA-N 1 0 310.235 3.405 50 0 DGAARO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000071851726 431299207 /nfs/dbraw/zinc/29/92/07/431299207.db2.gz LYGVQUXDSFYFKL-INIZCTEOSA-N 1 0 312.413 3.017 50 0 DGAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000071857550 431301763 /nfs/dbraw/zinc/30/17/63/431301763.db2.gz SCINHBPIKXZZIH-UHFFFAOYSA-N 1 0 314.813 3.422 50 0 DGAARO Cc1oc(-c2ccco2)nc1C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000071882111 431303657 /nfs/dbraw/zinc/30/36/57/431303657.db2.gz HVXGTOAZJOXUMT-VXGBXAGGSA-N 1 0 300.362 3.179 50 0 DGAARO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000071872759 431305779 /nfs/dbraw/zinc/30/57/79/431305779.db2.gz KJSIPGXHAYJSHB-GOSISDBHSA-N 1 0 303.377 3.436 50 0 DGAARO C[NH+](C)CCN(Cc1ccccn1)C(=O)/C=C/C1CCCCC1 ZINC000071910563 431314809 /nfs/dbraw/zinc/31/48/09/431314809.db2.gz AHDPULCWCUQBDH-VAWYXSNFSA-N 1 0 315.461 3.108 50 0 DGAARO CCN1CCN(c2c(Cl)cccc2NC(=O)C(C)C)CC1 ZINC000006026464 431315064 /nfs/dbraw/zinc/31/50/64/431315064.db2.gz BFWMUQFMGOEREZ-UHFFFAOYSA-N 1 0 309.841 3.076 50 0 DGAARO C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)c1ccccc1 ZINC000002643666 431260871 /nfs/dbraw/zinc/26/08/71/431260871.db2.gz KOFWLPMUYUZEFP-QGZVFWFLSA-N 1 0 305.805 3.384 50 0 DGAARO COc1ccc(C[NH2+]CCc2ccc(F)cc2)c(OC)c1OC ZINC000002736821 431263176 /nfs/dbraw/zinc/26/31/76/431263176.db2.gz XQTRCGVOIUAJMS-UHFFFAOYSA-N 1 0 319.376 3.184 50 0 DGAARO COC[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006936868 431325048 /nfs/dbraw/zinc/32/50/48/431325048.db2.gz JYRYQKRUFMXQBK-CABCVRRESA-N 1 0 312.413 3.305 50 0 DGAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072435698 431336891 /nfs/dbraw/zinc/33/68/91/431336891.db2.gz ORPUIPHQSIMKPU-QGZVFWFLSA-N 1 0 323.440 3.078 50 0 DGAARO CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000007447186 431351830 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C[C@H](Nc1cc[nH+]cc1NC(=O)c1ccsc1)[C@H]1CCCO1 ZINC000075141630 431457389 /nfs/dbraw/zinc/45/73/89/431457389.db2.gz BAFWQDYIKFDVEC-XHDPSFHLSA-N 1 0 317.414 3.375 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccccc1)c1ccc(F)cc1 ZINC000010329589 431460308 /nfs/dbraw/zinc/46/03/08/431460308.db2.gz ZFXNEZFQKIZDIF-SFHVURJKSA-N 1 0 314.404 3.177 50 0 DGAARO CCOCCC[NH2+]Cc1ccc(OCC)c(Br)c1 ZINC000010474673 431464265 /nfs/dbraw/zinc/46/42/65/431464265.db2.gz OLBJTQIVEDPKSW-UHFFFAOYSA-N 1 0 316.239 3.364 50 0 DGAARO C[C@H]1CN(CC[NH+]2CCC(CCc3ccccc3)CC2)CCO1 ZINC000170607359 279857386 /nfs/dbraw/zinc/85/73/86/279857386.db2.gz FNVCYYJVNBETEV-SFHVURJKSA-N 1 0 316.489 3.052 50 0 DGAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000011661617 431477218 /nfs/dbraw/zinc/47/72/18/431477218.db2.gz FUHFFRXMQGXENY-GAEAOFGJSA-N 1 0 304.409 3.234 50 0 DGAARO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccnc1Cl ZINC000075503400 431479691 /nfs/dbraw/zinc/47/96/91/431479691.db2.gz PXPXBIIGGLEWGX-GFCCVEGCSA-N 1 0 310.829 3.073 50 0 DGAARO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000009416928 431433947 /nfs/dbraw/zinc/43/39/47/431433947.db2.gz HVELSRUWCHJXKN-GJZGRUSLSA-N 1 0 304.434 3.296 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C12CCCC2 ZINC000095988048 279873912 /nfs/dbraw/zinc/87/39/12/279873912.db2.gz JBDQQZCBUQMFOD-SOUVJXGZSA-N 1 0 311.466 3.434 50 0 DGAARO CC(C)[C@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)CCS1 ZINC000076064621 431520488 /nfs/dbraw/zinc/52/04/88/431520488.db2.gz LNOXHCVNLMNULY-MRXNPFEDSA-N 1 0 302.443 3.102 50 0 DGAARO CC(C)/C=C/C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012581122 431520430 /nfs/dbraw/zinc/52/04/30/431520430.db2.gz MTEGXMIIEALPJW-JXOMPUQVSA-N 1 0 314.473 3.412 50 0 DGAARO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000012796641 431527907 /nfs/dbraw/zinc/52/79/07/431527907.db2.gz JSTIKEGQAARPQX-STQMWFEESA-N 1 0 318.442 3.112 50 0 DGAARO CSCCC[N@@H+]1CCC[C@](CO)(Cc2ccccc2C)C1 ZINC000011841524 431483788 /nfs/dbraw/zinc/48/37/88/431483788.db2.gz LDLFODBIABLJAO-SFHVURJKSA-N 1 0 307.503 3.365 50 0 DGAARO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCC[NH2+]1 ZINC000012085353 431490990 /nfs/dbraw/zinc/49/09/90/431490990.db2.gz QXBLHRKFHSBNGK-LLVKDONJSA-N 1 0 310.319 3.081 50 0 DGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cc(C)c(C)o2)C1 ZINC000012314823 431501441 /nfs/dbraw/zinc/50/14/41/431501441.db2.gz NRSBUKFVKPRGGZ-GOSISDBHSA-N 1 0 323.433 3.078 50 0 DGAARO CC(C)=CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012297635 431501963 /nfs/dbraw/zinc/50/19/63/431501963.db2.gz UYHQDBIZFNLWMJ-SFHVURJKSA-N 1 0 324.428 3.241 50 0 DGAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)NC1CC1 ZINC000012373280 431503112 /nfs/dbraw/zinc/50/31/12/431503112.db2.gz IYRQXCNRQXLHFH-ZDUSSCGKSA-N 1 0 322.399 3.236 50 0 DGAARO O=C(Cc1cccs1)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000012355726 431504366 /nfs/dbraw/zinc/50/43/66/431504366.db2.gz XKTPBMGHUNSZND-OAHLLOKOSA-N 1 0 320.483 3.305 50 0 DGAARO COCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000076016832 431513606 /nfs/dbraw/zinc/51/36/06/431513606.db2.gz DOWVNNUVUNKZBF-MRXNPFEDSA-N 1 0 304.434 3.154 50 0 DGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(C)on1 ZINC000012902046 431535385 /nfs/dbraw/zinc/53/53/85/431535385.db2.gz MBNHQQXEJPXDTN-UHFFFAOYSA-N 1 0 316.405 3.147 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 ZINC000012945596 431538487 /nfs/dbraw/zinc/53/84/87/431538487.db2.gz TVDNNBUOBUZMJY-ABAIWWIYSA-N 1 0 315.804 3.339 50 0 DGAARO O=C(CSc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000013674041 431563303 /nfs/dbraw/zinc/56/33/03/431563303.db2.gz XNQCVCLMNIESIS-UHFFFAOYSA-N 1 0 312.866 3.034 50 0 DGAARO C[C@@H]1C[N@H+](C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000013750110 431570890 /nfs/dbraw/zinc/57/08/90/431570890.db2.gz AZDORFUDLGFHJW-GASCZTMLSA-N 1 0 322.880 3.414 50 0 DGAARO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058377685 280273736 /nfs/dbraw/zinc/27/37/36/280273736.db2.gz OJXYXPODKAUEDR-ZIAGYGMSSA-N 1 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/nfs/dbraw/zinc/67/64/32/431676432.db2.gz LMOLAOHCAVZAIM-UHFFFAOYSA-N 1 0 309.435 3.067 50 0 DGAARO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000026714743 431677572 /nfs/dbraw/zinc/67/75/72/431677572.db2.gz BTBDSUYHJYCNJB-DYVFJYSZSA-N 1 0 301.386 3.088 50 0 DGAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000078553212 431682878 /nfs/dbraw/zinc/68/28/78/431682878.db2.gz MQKWIOJPAVACPS-CYBMUJFWSA-N 1 0 309.417 3.073 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+]CCOc2ccc(F)c(F)c2)cc1 ZINC000078604195 431686951 /nfs/dbraw/zinc/68/69/51/431686951.db2.gz RKDJMGHHNRCJJD-UHFFFAOYSA-N 1 0 320.339 3.092 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(c3ccccc3)C2)cc1 ZINC000078604217 431687468 /nfs/dbraw/zinc/68/74/68/431687468.db2.gz SANWWNRQVACDHZ-SFHVURJKSA-N 1 0 309.413 3.014 50 0 DGAARO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)Cc1ccccc1 ZINC000027406495 431688964 /nfs/dbraw/zinc/68/89/64/431688964.db2.gz IPMURAOMTDBMON-HNNXBMFYSA-N 1 0 312.438 3.332 50 0 DGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CC=CCC1 ZINC000029897836 431728711 /nfs/dbraw/zinc/72/87/11/431728711.db2.gz MTRQLZIKACHGSQ-HZPDHXFCSA-N 1 0 302.418 3.279 50 0 DGAARO Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000032862772 431797093 /nfs/dbraw/zinc/79/70/93/431797093.db2.gz PNVBKIXSWZVTHP-SFHVURJKSA-N 1 0 311.429 3.097 50 0 DGAARO Cc1sc(NC(=O)C[NH3+])nc1-c1ccc(OCC(C)C)cc1 ZINC000031959687 431769535 /nfs/dbraw/zinc/76/95/35/431769535.db2.gz ZCFXTFCCZCVCII-UHFFFAOYSA-N 1 0 319.430 3.051 50 0 DGAARO COc1cccc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000036847533 431841593 /nfs/dbraw/zinc/84/15/93/431841593.db2.gz GNPPSBHLDDRRRQ-KGLIPLIRSA-N 1 0 321.490 3.245 50 0 DGAARO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(Cl)s1 ZINC000089627936 431873239 /nfs/dbraw/zinc/87/32/39/431873239.db2.gz KWHCXNLXSXQJLA-VIFPVBQESA-N 1 0 309.884 3.265 50 0 DGAARO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000037799992 431850781 /nfs/dbraw/zinc/85/07/81/431850781.db2.gz 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O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1Cc2ccccc2C1 ZINC000095364298 431922779 /nfs/dbraw/zinc/92/27/79/431922779.db2.gz CAHKLENBLLKQCQ-KRWDZBQOSA-N 1 0 306.409 3.310 50 0 DGAARO O=C(C[N@@H+]1CCC[C@H]1CCc1ccccc1)N1CCCCC1 ZINC000048324378 431922857 /nfs/dbraw/zinc/92/28/57/431922857.db2.gz DJGAWTFATOXMJW-SFHVURJKSA-N 1 0 300.446 3.096 50 0 DGAARO [NH3+]Cc1ccc(-c2ncnn2Cc2c(F)cccc2Cl)cc1 ZINC000095359344 431923133 /nfs/dbraw/zinc/92/31/33/431923133.db2.gz GZLIEUGWQPKXOU-UHFFFAOYSA-N 1 0 316.767 3.245 50 0 DGAARO c1csc(C[NH+]2CCC(Nc3nnc(C4CCC4)o3)CC2)c1 ZINC000095360228 431923337 /nfs/dbraw/zinc/92/33/37/431923337.db2.gz NZILOYUZAQHWHQ-UHFFFAOYSA-N 1 0 318.446 3.475 50 0 DGAARO Cc1c2ccccc2oc1CNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000095387497 431924090 /nfs/dbraw/zinc/92/40/90/431924090.db2.gz BGAYQRFLCRYXID-OAHLLOKOSA-N 1 0 300.402 3.232 50 0 DGAARO CC[C@H]([NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)c1ccncc1 ZINC000095375854 431924300 /nfs/dbraw/zinc/92/43/00/431924300.db2.gz MMMLUZXDDGILQV-INIZCTEOSA-N 1 0 311.360 3.303 50 0 DGAARO Cc1cc(C)c2c(ncnc2NC[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC000095374735 431924304 /nfs/dbraw/zinc/92/43/04/431924304.db2.gz CKMPSLJXPKTOJW-OAHLLOKOSA-N 1 0 313.449 3.174 50 0 DGAARO Cc1ccc(OC[C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000095409637 431924898 /nfs/dbraw/zinc/92/48/98/431924898.db2.gz MUUWVHMSAOPYSV-NYHFZMIOSA-N 1 0 317.454 3.290 50 0 DGAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCOC[C@H]1CCCO1 ZINC000095422500 431924992 /nfs/dbraw/zinc/92/49/92/431924992.db2.gz IPHSGRMOLAFFML-WBVHZDCISA-N 1 0 317.429 3.218 50 0 DGAARO c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCCOC[C@@H]1CCOC1 ZINC000095423022 431925090 /nfs/dbraw/zinc/92/50/90/431925090.db2.gz LEPITJVDHUTJRA-YJBOKZPZSA-N 1 0 321.486 3.050 50 0 DGAARO Cc1cnc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cn1 ZINC000089702254 431875583 /nfs/dbraw/zinc/87/55/83/431875583.db2.gz XRARDGMBKGIQJI-IRXDYDNUSA-N 1 0 315.417 3.246 50 0 DGAARO FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044686216 431876889 /nfs/dbraw/zinc/87/68/89/431876889.db2.gz IFZTZYYSALXWKJ-GFCCVEGCSA-N 1 0 316.779 3.268 50 0 DGAARO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cccs1 ZINC000095422555 431925337 /nfs/dbraw/zinc/92/53/37/431925337.db2.gz SWWTVZSJSRQELA-JSGCOSHPSA-N 1 0 300.427 3.484 50 0 DGAARO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089942284 431887604 /nfs/dbraw/zinc/88/76/04/431887604.db2.gz DRDSXCIBHOYVTQ-GFCCVEGCSA-N 1 0 319.836 3.283 50 0 DGAARO C[NH+](C)Cc1cccc(CNC(=O)N2CCCCCCC2)c1 ZINC000045639915 431888108 /nfs/dbraw/zinc/88/81/08/431888108.db2.gz ZBPOKSQUISHGCV-UHFFFAOYSA-N 1 0 303.450 3.224 50 0 DGAARO c1ccc2c(c1)CCSC[C@H]2[NH2+]CCCOC[C@H]1CCOC1 ZINC000095423025 431925683 /nfs/dbraw/zinc/92/56/83/431925683.db2.gz LEPITJVDHUTJRA-CRAIPNDOSA-N 1 0 321.486 3.050 50 0 DGAARO COc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000045949946 431891775 /nfs/dbraw/zinc/89/17/75/431891775.db2.gz YQNXDWQYWISASY-KGLIPLIRSA-N 1 0 305.422 3.080 50 0 DGAARO Clc1ccc(-n2nnnc2C2([NH+]3CCCC3)CCCC2)cc1 ZINC000046078203 431894430 /nfs/dbraw/zinc/89/44/30/431894430.db2.gz XVWQBTBROMXJRE-UHFFFAOYSA-N 1 0 317.824 3.181 50 0 DGAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000090764603 431894537 /nfs/dbraw/zinc/89/45/37/431894537.db2.gz BHZWPJKSKUHWQP-HIMNYSJASA-N 1 0 320.458 3.483 50 0 DGAARO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)s1 ZINC000090801379 431895677 /nfs/dbraw/zinc/89/56/77/431895677.db2.gz UTFKZIWHNOIEDE-OCCSQVGLSA-N 1 0 316.474 3.338 50 0 DGAARO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000046437987 431897664 /nfs/dbraw/zinc/89/76/64/431897664.db2.gz PDTDOWSIXMEODW-UHFFFAOYSA-N 1 0 310.401 3.082 50 0 DGAARO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)o1 ZINC000090937980 431897761 /nfs/dbraw/zinc/89/77/61/431897761.db2.gz YSOPFTAXKUVMQR-JSGCOSHPSA-N 1 0 311.385 3.037 50 0 DGAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1(c2cccc(Cl)c2)CC1 ZINC000046992983 431903843 /nfs/dbraw/zinc/90/38/43/431903843.db2.gz UWOJASUKCIJFRO-JKSUJKDBSA-N 1 0 318.848 3.115 50 0 DGAARO C[NH+](C)[C@H](CNc1ncnc2sccc21)c1cccs1 ZINC000054771838 431973062 /nfs/dbraw/zinc/97/30/62/431973062.db2.gz ZDYMMBVFXYTRKS-LLVKDONJSA-N 1 0 304.444 3.468 50 0 DGAARO COc1cc(CN2CC([NH+]3CCCCC3)C2)cc(Cl)c1OC ZINC000097805510 431974803 /nfs/dbraw/zinc/97/48/03/431974803.db2.gz LEAZUDYIFTZFBL-UHFFFAOYSA-N 1 0 324.852 3.027 50 0 DGAARO COc1cccc(N2CC[C@H](C[NH2+]C/C=C\c3ccco3)C2)c1 ZINC000098059545 431976963 /nfs/dbraw/zinc/97/69/63/431976963.db2.gz QOUAMSQWIWLASA-NKPXIPJASA-N 1 0 312.413 3.418 50 0 DGAARO CC[C@@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cccc(C)n1 ZINC000055108777 431976986 /nfs/dbraw/zinc/97/69/86/431976986.db2.gz KJTJLHRQLDMUBM-SFHVURJKSA-N 1 0 302.393 3.302 50 0 DGAARO Cc1ccsc1C[N@@H+](Cc1ccccn1)C[C@H]1CCOC1 ZINC000055119275 431977298 /nfs/dbraw/zinc/97/72/98/431977298.db2.gz FTGOMFJKPWPBNJ-OAHLLOKOSA-N 1 0 302.443 3.490 50 0 DGAARO CCCCc1nc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c[nH]1 ZINC000095503824 431926739 /nfs/dbraw/zinc/92/67/39/431926739.db2.gz DYAWPCWHQBVIFW-FUHWJXTLSA-N 1 0 316.493 3.059 50 0 DGAARO CCCN(CC[NH+](C)C)C(=O)c1nc(-c2ccccc2)oc1C ZINC000095955831 431928348 /nfs/dbraw/zinc/92/83/48/431928348.db2.gz WCURRTJYRKKVPZ-UHFFFAOYSA-N 1 0 315.417 3.064 50 0 DGAARO C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000095968091 431928775 /nfs/dbraw/zinc/92/87/75/431928775.db2.gz ULCJAOGYZDLYKO-IFXJQAMLSA-N 1 0 320.452 3.244 50 0 DGAARO CCC1(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)CCC1 ZINC000095964433 431928882 /nfs/dbraw/zinc/92/88/82/431928882.db2.gz YJAZFMPENCPAEG-UHFFFAOYSA-N 1 0 307.463 3.328 50 0 DGAARO FC(F)CN1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000095967131 431929319 /nfs/dbraw/zinc/92/93/19/431929319.db2.gz UDBWUUDTNJAMJJ-UHFFFAOYSA-N 1 0 302.796 3.202 50 0 DGAARO Cc1csc([C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 ZINC000095968560 431929768 /nfs/dbraw/zinc/92/97/68/431929768.db2.gz CNBTYXXSNPEGOC-NEPJUHHUSA-N 1 0 319.396 3.129 50 0 DGAARO CCc1nncn1CC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000095968733 431929889 /nfs/dbraw/zinc/92/98/89/431929889.db2.gz WVSHBAJWBRPMOC-LLVKDONJSA-N 1 0 312.339 3.210 50 0 DGAARO [NH3+]C1(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)CC1 ZINC000095971679 431930025 /nfs/dbraw/zinc/93/00/25/431930025.db2.gz DVTDXDFPUZZUHL-UHFFFAOYSA-N 1 0 311.316 3.064 50 0 DGAARO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)CS(C)(=O)=O ZINC000095984207 431932088 /nfs/dbraw/zinc/93/20/88/431932088.db2.gz XKPCZXJYSWHSJH-NXEZZACHSA-N 1 0 324.273 3.325 50 0 DGAARO COc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)c3ccncc3)oc21 ZINC000095988114 431932516 /nfs/dbraw/zinc/93/25/16/431932516.db2.gz FHCLLKVUKLLMQS-SWLSCSKDSA-N 1 0 312.369 3.221 50 0 DGAARO CCC(O)(CC)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000095992545 431932957 /nfs/dbraw/zinc/93/29/57/431932957.db2.gz RLLVKDULSXWWRS-AWEZNQCLSA-N 1 0 301.434 3.293 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000049078632 431935833 /nfs/dbraw/zinc/93/58/33/431935833.db2.gz PCUQRBYVSAEEST-UHFFFAOYSA-N 1 0 310.388 3.159 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000049076037 431936259 /nfs/dbraw/zinc/93/62/59/431936259.db2.gz KMTMJNWZKOFEMU-UHFFFAOYSA-N 1 0 310.388 3.159 50 0 DGAARO CC(C)[NH+]1CCN(c2ccc(-c3cccc(CO)c3)cc2)CC1 ZINC000096133449 431940011 /nfs/dbraw/zinc/94/00/11/431940011.db2.gz YNEAXEAGYLUALY-UHFFFAOYSA-N 1 0 310.441 3.376 50 0 DGAARO C1C[C@@H](c2noc(C3([NH+]4CCCCC4)CCCCC3)n2)CO1 ZINC000096151795 431940870 /nfs/dbraw/zinc/94/08/70/431940870.db2.gz GCAVDRRVZVMIIJ-CQSZACIVSA-N 1 0 305.422 3.219 50 0 DGAARO Cc1nn(C)c2nc(NCC3([NH+]4CCCC4)CCCC3)sc12 ZINC000096163834 431940919 /nfs/dbraw/zinc/94/09/19/431940919.db2.gz NYGYMXFEQBLMLT-UHFFFAOYSA-N 1 0 319.478 3.159 50 0 DGAARO CC[NH+](CC)CCNC(=O)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183954 431941699 /nfs/dbraw/zinc/94/16/99/431941699.db2.gz GONOPEJQVVAALN-UHFFFAOYSA-N 1 0 320.364 3.283 50 0 DGAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)cc1 ZINC000049604852 431942257 /nfs/dbraw/zinc/94/22/57/431942257.db2.gz FRWMBCHIHYBKSD-CQSZACIVSA-N 1 0 300.402 3.151 50 0 DGAARO O=c1cc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)occ1O ZINC000096412943 431946627 /nfs/dbraw/zinc/94/66/27/431946627.db2.gz QOOHGBKUBAIANA-UHFFFAOYSA-N 1 0 324.380 3.206 50 0 DGAARO C[C@@H](CC1CCC1)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000096476572 431952777 /nfs/dbraw/zinc/95/27/77/431952777.db2.gz WLTKIMSPRBLDKB-HNNXBMFYSA-N 1 0 300.446 3.477 50 0 DGAARO CCc1ccc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)o1 ZINC000096482818 431953149 /nfs/dbraw/zinc/95/31/49/431953149.db2.gz PNMVHBZQSPYFBW-UHFFFAOYSA-N 1 0 315.417 3.344 50 0 DGAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C ZINC000096492736 431954004 /nfs/dbraw/zinc/95/40/04/431954004.db2.gz IYBDTAGGJRWYEV-KGLIPLIRSA-N 1 0 323.437 3.342 50 0 DGAARO O=C(NCC[NH+]1CCCCC1)c1cc2cc(Cl)ccc2o1 ZINC000052410865 431955946 /nfs/dbraw/zinc/95/59/46/431955946.db2.gz HOYZVKWETBYRRZ-UHFFFAOYSA-N 1 0 306.793 3.302 50 0 DGAARO OC[C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)Cc1ccccn1 ZINC000097034626 431956865 /nfs/dbraw/zinc/95/68/65/431956865.db2.gz 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ZINC000097082116 431959431 /nfs/dbraw/zinc/95/94/31/431959431.db2.gz ODHXWRFYYIJQII-UHFFFAOYSA-N 1 0 317.477 3.038 50 0 DGAARO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccncc1 ZINC000097084012 431960021 /nfs/dbraw/zinc/96/00/21/431960021.db2.gz LMNNCWRFZIPVOQ-LBPRGKRZSA-N 1 0 303.793 3.333 50 0 DGAARO Cc1[nH+]c2ccccc2c(N2CCO[C@@H](c3cnn(C)c3)C2)c1C ZINC000097085997 431960059 /nfs/dbraw/zinc/96/00/59/431960059.db2.gz UCWMCZYAHIPESK-GOSISDBHSA-N 1 0 322.412 3.163 50 0 DGAARO Cc1cc(CN2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)on1 ZINC000097105609 431961025 /nfs/dbraw/zinc/96/10/25/431961025.db2.gz PTMLSVKSJRPBNE-MRXNPFEDSA-N 1 0 313.445 3.294 50 0 DGAARO O=C(NCc1ccco1)[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000097104423 431961194 /nfs/dbraw/zinc/96/11/94/431961194.db2.gz KIXKTGNEZJUANE-SFHVURJKSA-N 1 0 321.380 3.113 50 0 DGAARO COc1ccccc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000097121352 431962360 /nfs/dbraw/zinc/96/23/60/431962360.db2.gz LHACMXDPZYNFBI-SFHVURJKSA-N 1 0 324.424 3.262 50 0 DGAARO 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HEHNNYIOAABVHT-LSDHHAIUSA-N 1 0 312.413 3.304 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000492998124 435087904 /nfs/dbraw/zinc/08/79/04/435087904.db2.gz XVNIETHJSPOEIK-QDDUCLRZSA-N 1 0 312.335 3.057 50 0 DGAARO CCn1nncc1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000656493468 435959475 /nfs/dbraw/zinc/95/94/75/435959475.db2.gz BOUHKOKKSKTHRC-CQSZACIVSA-N 1 0 307.401 3.211 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647281367 435997029 /nfs/dbraw/zinc/99/70/29/435997029.db2.gz KGRDFBUCYDKUOB-CQSZACIVSA-N 1 0 323.444 3.228 50 0 DGAARO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(C(F)F)nc1 ZINC000657837400 436321685 /nfs/dbraw/zinc/32/16/85/436321685.db2.gz ZNGRFOLDNQBQDI-NSHDSACASA-N 1 0 306.360 3.331 50 0 DGAARO Cc1cccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)c1 ZINC000000261003 302004190 /nfs/dbraw/zinc/00/41/90/302004190.db2.gz PQEQHOBGXGVSNT-UHFFFAOYSA-N 1 0 305.491 3.496 50 0 DGAARO Cc1cccc(C(C)(C)[NH2+]CCn2cnc3ccccc3c2=O)c1 ZINC000179586403 312810338 /nfs/dbraw/zinc/81/03/38/312810338.db2.gz AFLPBHMKBVJGSG-UHFFFAOYSA-N 1 0 321.424 3.230 50 0 DGAARO CC(C)C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccs1 ZINC000129675039 323212798 /nfs/dbraw/zinc/21/27/98/323212798.db2.gz SJCVCSRLCCIBAM-HUUCEWRRSA-N 1 0 323.506 3.428 50 0 DGAARO Cc1c(O)ccc2c(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc(=O)oc12 ZINC000006510873 331496465 /nfs/dbraw/zinc/49/64/65/331496465.db2.gz KEKTUWUHTFKGSB-RYUDHWBXSA-N 1 0 301.386 3.285 50 0 DGAARO O=C(NCC[NH+]1CCCCCC1)N1CC[C@@H]1c1ccc(F)cc1 ZINC000534588200 334292960 /nfs/dbraw/zinc/29/29/60/334292960.db2.gz CSDVJEMQOMTYGZ-QGZVFWFLSA-N 1 0 319.424 3.158 50 0 DGAARO CC[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1cc(C)ccn1 ZINC000534592169 334294519 /nfs/dbraw/zinc/29/45/19/334294519.db2.gz FOJPPOKZHZSHEB-MRXNPFEDSA-N 1 0 315.461 3.366 50 0 DGAARO CCN(Cc1ccccc1F)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534651783 334312294 /nfs/dbraw/zinc/31/22/94/334312294.db2.gz GVMUKIGTQAILHA-UHFFFAOYSA-N 1 0 321.440 3.232 50 0 DGAARO O=C(NC1CCCCCC1)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000534666519 334318861 /nfs/dbraw/zinc/31/88/61/334318861.db2.gz GPWPGULSAYARQF-UHFFFAOYSA-N 1 0 301.434 3.001 50 0 DGAARO CCC[C@H](CNC(=O)N(C)Cc1cccc(SC)c1)[NH+](C)C ZINC000534672429 334320788 /nfs/dbraw/zinc/32/07/88/334320788.db2.gz WCOADQJHIAXWGG-OAHLLOKOSA-N 1 0 323.506 3.280 50 0 DGAARO Cc1nc2[nH]cnc2cc1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000534661192 334321806 /nfs/dbraw/zinc/32/18/06/334321806.db2.gz VTNGYKYIQYLJGE-AWEZNQCLSA-N 1 0 322.412 3.327 50 0 DGAARO COc1cccc([C@H](O)C(C)(C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000299803986 533784216 /nfs/dbraw/zinc/78/42/16/533784216.db2.gz OTZBFFPTELATMM-SFHVURJKSA-N 1 0 317.404 3.479 50 0 DGAARO COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](C[NH3+])C3)c1 ZINC000299793720 534221111 /nfs/dbraw/zinc/22/11/11/534221111.db2.gz HSCZYUMDPPLYGP-CYBMUJFWSA-N 1 0 319.788 3.286 50 0 DGAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000299738670 534692241 /nfs/dbraw/zinc/69/22/41/534692241.db2.gz FCCJQCLVIXNFCE-CYBMUJFWSA-N 1 0 314.360 3.039 50 0 DGAARO Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C1CCCCC1 ZINC000084013715 545782196 /nfs/dbraw/zinc/78/21/96/545782196.db2.gz QHXJMQLFQDDCDW-UHFFFAOYSA-N 1 0 300.406 3.338 50 0 DGAARO COc1c(C)cnc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c1C ZINC000084111293 545783824 /nfs/dbraw/zinc/78/38/24/545783824.db2.gz HIUJZWZECMKKGM-HNNXBMFYSA-N 1 0 314.433 3.118 50 0 DGAARO Cc1cc([C@H]2CCC[N@H+](Cc3nc(C)c4ccccc4n3)C2)[nH]n1 ZINC000084111376 545783945 /nfs/dbraw/zinc/78/39/45/545783945.db2.gz JHSKWFXAAWXWFX-HNNXBMFYSA-N 1 0 321.428 3.349 50 0 DGAARO C[S@](=O)c1ccc(C[NH2+][C@@]2(C)CCc3ccccc3C2)cc1 ZINC000085329428 545795948 /nfs/dbraw/zinc/79/59/48/545795948.db2.gz XHPPDRWPOFSSNC-SIKLNZKXSA-N 1 0 313.466 3.461 50 0 DGAARO COc1cccc(C[C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000085323762 545796076 /nfs/dbraw/zinc/79/60/76/545796076.db2.gz GVRYQWPBLPZBOW-FPTDNZKUSA-N 1 0 317.454 3.153 50 0 DGAARO CC(C)[NH2+]Cc1cc(-c2ccc(Br)cc2F)n[nH]1 ZINC000131064489 545954378 /nfs/dbraw/zinc/95/43/78/545954378.db2.gz BJFCQMFBUHUBGX-UHFFFAOYSA-N 1 0 312.186 3.476 50 0 DGAARO O=C(/C=C/c1cccs1)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575611973 547015809 /nfs/dbraw/zinc/01/58/09/547015809.db2.gz HQMDNJJVXNROKM-NFAHFFEMSA-N 1 0 314.410 3.226 50 0 DGAARO [NH3+]C1(C(=O)NCC[C@H](c2ccco2)c2ccccc2)CCCC1 ZINC000670468582 547757619 /nfs/dbraw/zinc/75/76/19/547757619.db2.gz DVUDJMBRRWECTR-INIZCTEOSA-N 1 0 312.413 3.189 50 0 DGAARO COc1ccc2[nH]c(C[N@@H+]3CC[C@H](C(C)(C)O)C3)c(C)c2c1 ZINC000670469712 547758935 /nfs/dbraw/zinc/75/89/35/547758935.db2.gz LGKQIHRAZBKTCH-ZDUSSCGKSA-N 1 0 302.418 3.078 50 0 DGAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000685939547 549810260 /nfs/dbraw/zinc/81/02/60/549810260.db2.gz LYCMKBPCJILMSQ-BEFAXECRSA-N 1 0 320.440 3.488 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000170048421 563902908 /nfs/dbraw/zinc/90/29/08/563902908.db2.gz FTPHZCHLZJFGQU-UWVGGRQHSA-N 1 0 318.314 3.044 50 0 DGAARO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CCCCCC1 ZINC000170048080 563903002 /nfs/dbraw/zinc/90/30/02/563903002.db2.gz NRMSQHXEPNMGFK-HZPDHXFCSA-N 1 0 304.409 3.097 50 0 DGAARO C[C@@H](C(=O)Nc1ccnn1C1CCCC1)[NH+]1CCCCCC1 ZINC000733911053 574642813 /nfs/dbraw/zinc/64/28/13/574642813.db2.gz VNIGILROGGGITQ-AWEZNQCLSA-N 1 0 304.438 3.201 50 0 DGAARO Brc1cncc(SCCC[NH+]2CCCC2)c1 ZINC000757216180 617673227 /nfs/dbraw/zinc/67/32/27/617673227.db2.gz YGNZEVQDJIPRRJ-UHFFFAOYSA-N 1 0 301.253 3.422 50 0 DGAARO CCc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)oc1CC ZINC000120218757 618470802 /nfs/dbraw/zinc/47/08/02/618470802.db2.gz AMCHTUAYCCYPDM-INIZCTEOSA-N 1 0 318.461 3.495 50 0 DGAARO COC1(C[NH2+]Cc2oc(C)nc2C)CCC(C(F)F)CC1 ZINC000888100497 618625826 /nfs/dbraw/zinc/62/58/26/618625826.db2.gz ADIQXECWWYDKPC-UHFFFAOYSA-N 1 0 302.365 3.222 50 0 DGAARO CC1=C[C@@H]2C[C@H]([NH2+]C[C@@H]3CCO[C@H]3c3ccnn3C)C[C@H](C1)C2 ZINC000888099041 618625829 /nfs/dbraw/zinc/62/58/29/618625829.db2.gz TXGKNZAMQDBIIO-CNMWIUBYSA-N 1 0 315.461 3.222 50 0 DGAARO c1ncc(-c2cccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2)o1 ZINC000848542210 620508738 /nfs/dbraw/zinc/50/87/38/620508738.db2.gz GKMBIFBYUHAFPI-KRWDZBQOSA-N 1 0 313.401 3.007 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000863983126 621724381 /nfs/dbraw/zinc/72/43/81/621724381.db2.gz BLHMAVWBPJEBCJ-CQSZACIVSA-N 1 0 323.444 3.228 50 0 DGAARO Cc1nc2c(o1)CCC[C@@H]2[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000863983924 621724695 /nfs/dbraw/zinc/72/46/95/621724695.db2.gz NPJCYRRIXIKTBD-LSDHHAIUSA-N 1 0 315.417 3.380 50 0 DGAARO c1ccc2[nH]c(CCC[NH2+][C@H](C3CCC3)[C@H]3CCOC3)nc2c1 ZINC000864096823 621736005 /nfs/dbraw/zinc/73/60/05/621736005.db2.gz JLDVCQUSNNHONC-HNAYVOBHSA-N 1 0 313.445 3.290 50 0 DGAARO O=C(C[N@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1ccncc1 ZINC000112559097 627549035 /nfs/dbraw/zinc/54/90/35/627549035.db2.gz ZXGMMDLPFHTQEP-SFHVURJKSA-N 1 0 307.397 3.172 50 0 DGAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NC1CC1 ZINC000012098335 660497751 /nfs/dbraw/zinc/49/77/51/660497751.db2.gz SYSXHIWSWDGMOP-UHFFFAOYSA-N 1 0 324.424 3.073 50 0 DGAARO CCc1cc(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)on1 ZINC000012459286 660600943 /nfs/dbraw/zinc/60/09/43/660600943.db2.gz NJLAHUIVTGAGGH-INIZCTEOSA-N 1 0 319.449 3.012 50 0 DGAARO OC1(c2ccc(-c3cccc(-c4cc[nH]n4)c3)cc2)CC[NH2+]CC1 ZINC000023337225 655928137 /nfs/dbraw/zinc/92/81/37/655928137.db2.gz IOYSPXCXVSUEMM-UHFFFAOYSA-N 1 0 319.408 3.315 50 0 DGAARO O=C1CC[N@H+](Cc2cccs2)CCN1CC1CCCCC1 ZINC000023369557 655932824 /nfs/dbraw/zinc/93/28/24/655932824.db2.gz RPQGUWAXKBOERG-UHFFFAOYSA-N 1 0 306.475 3.363 50 0 DGAARO Cc1oc2nc(CN3Cc4ccccc4C[C@@H]3C)nc(N)c2c1C ZINC000178021501 655952744 /nfs/dbraw/zinc/95/27/44/655952744.db2.gz CZFSFEVCFGECHJ-NSHDSACASA-N 1 0 322.412 3.369 50 0 DGAARO O=C1CC[C@H]([NH+]2CCCCC2)CCN1Cc1ccc(F)cc1 ZINC000023541347 655952982 /nfs/dbraw/zinc/95/29/82/655952982.db2.gz UJDNYOBSPDBQJG-KRWDZBQOSA-N 1 0 304.409 3.193 50 0 DGAARO Cc1ncsc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000055343776 656875779 /nfs/dbraw/zinc/87/57/79/656875779.db2.gz CFURMXJZMGIPAI-UHFFFAOYSA-N 1 0 301.415 3.300 50 0 DGAARO COc1ccc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)cc1F ZINC000089578805 657859870 /nfs/dbraw/zinc/85/98/70/657859870.db2.gz LEAUQPSZLNROLL-NSHDSACASA-N 1 0 307.369 3.234 50 0 DGAARO CCn1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c1C ZINC000015073217 658010349 /nfs/dbraw/zinc/01/03/49/658010349.db2.gz NUYWWKHTMGNPJW-SFHVURJKSA-N 1 0 316.424 3.427 50 0 DGAARO C[C@@H](Cc1ccccc1F)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000156664584 658932402 /nfs/dbraw/zinc/93/24/02/658932402.db2.gz HLTOIQCASBGJCL-AWEZNQCLSA-N 1 0 320.452 3.383 50 0 DGAARO COCC[NH+]1CCC(Nc2ccnc3ccc(Cl)cc32)CC1 ZINC000172150473 659319440 /nfs/dbraw/zinc/31/94/40/659319440.db2.gz GTLNWYDKAVVJPO-UHFFFAOYSA-N 1 0 319.836 3.411 50 0 DGAARO Cc1ccc(C[NH2+][C@H]2CCCc3nc(N(C)C)ncc32)s1 ZINC000064031538 659436695 /nfs/dbraw/zinc/43/66/95/659436695.db2.gz BJPYOBPXKUMATP-AWEZNQCLSA-N 1 0 302.447 3.080 50 0 DGAARO O=C(NC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000067850579 659928205 /nfs/dbraw/zinc/92/82/05/659928205.db2.gz PDWZQBRURBWODS-AWEZNQCLSA-N 1 0 306.837 3.078 50 0 DGAARO O=C(c1cccc(-c2ccoc2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000179466245 659929398 /nfs/dbraw/zinc/92/93/98/659929398.db2.gz QJGYDHMSESJELT-UHFFFAOYSA-N 1 0 310.397 3.257 50 0 DGAARO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000179566018 659933682 /nfs/dbraw/zinc/93/36/82/659933682.db2.gz YRKSKGNOTNFSIP-UHFFFAOYSA-N 1 0 307.825 3.432 50 0 DGAARO Cc1ccsc1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191770741 662080603 /nfs/dbraw/zinc/08/06/03/662080603.db2.gz TUNICKWYPVILPK-HNNXBMFYSA-N 1 0 318.417 3.086 50 0 DGAARO Cc1cccc(N2CCC([NH2+]C[C@@H]3CCCCN3C)CC2)c1C ZINC000952976898 662209641 /nfs/dbraw/zinc/20/96/41/662209641.db2.gz PWEQYTBARWDCCW-IBGZPJMESA-N 1 0 315.505 3.346 50 0 DGAARO O=C(c1ccccn1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000952988582 662210664 /nfs/dbraw/zinc/21/06/64/662210664.db2.gz QOQDXKFVLGCZFU-KRWDZBQOSA-N 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CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)c(C)c1)CC2 ZINC000091707405 193094923 /nfs/dbraw/zinc/09/49/23/193094923.db2.gz ZOJWZLYGBFBGPK-UHFFFAOYSA-N 1 0 318.436 3.359 50 0 DGAARO Cc1ncsc1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091769934 193105483 /nfs/dbraw/zinc/10/54/83/193105483.db2.gz LEPQZFBDSTURLS-JKSUJKDBSA-N 1 0 305.491 3.148 50 0 DGAARO Cc1cccc(CSCCCNc2cc(N)[nH+]c(C)n2)c1 ZINC000091830959 193114266 /nfs/dbraw/zinc/11/42/66/193114266.db2.gz ZKZQVSDLWNXJEX-UHFFFAOYSA-N 1 0 302.447 3.411 50 0 DGAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000091918818 193126175 /nfs/dbraw/zinc/12/61/75/193126175.db2.gz KQRMCWMVDNLXLI-UHFFFAOYSA-N 1 0 314.385 3.139 50 0 DGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(C)c1F)CC2 ZINC000091974133 193134717 /nfs/dbraw/zinc/13/47/17/193134717.db2.gz YKGNVOUNCSATGE-UHFFFAOYSA-N 1 0 318.436 3.359 50 0 DGAARO CCC[C@]1(CO)CCC[N@H+](Cc2cncn2C2CCCC2)C1 ZINC000092066229 193150412 /nfs/dbraw/zinc/15/04/12/193150412.db2.gz PWUJHJPSGSKXJG-SFHVURJKSA-N 1 0 305.466 3.373 50 0 DGAARO Cc1cccc(-n2cc(C[NH+]3CCC(c4ncc[nH]4)CC3)cn2)c1 ZINC000215451949 201459580 /nfs/dbraw/zinc/45/95/80/201459580.db2.gz YNLMNVFZDJFVSY-UHFFFAOYSA-N 1 0 321.428 3.283 50 0 DGAARO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccccc1SC1CCCC1 ZINC000252548990 202865838 /nfs/dbraw/zinc/86/58/38/202865838.db2.gz QOTDGHNBLKHPSI-CYBMUJFWSA-N 1 0 320.458 3.038 50 0 DGAARO NC(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000092754155 193188908 /nfs/dbraw/zinc/18/89/08/193188908.db2.gz MZEWGIPULUJKSL-UHFFFAOYSA-N 1 0 315.442 3.002 50 0 DGAARO O=C(c1cccs1)N1CCC[N@H+](C[C@H]2CC=CCC2)CC1 ZINC000093385722 193242295 /nfs/dbraw/zinc/24/22/95/193242295.db2.gz QTELFGLGIGUOAW-HNNXBMFYSA-N 1 0 304.459 3.252 50 0 DGAARO C[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C ZINC000096493203 296160004 /nfs/dbraw/zinc/16/00/04/296160004.db2.gz SWFNMBMPDDAPNT-YGRLFVJLSA-N 1 0 314.351 3.223 50 0 DGAARO C[C@H](CCn1cncn1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000096484926 193665785 /nfs/dbraw/zinc/66/57/85/193665785.db2.gz AVNJUAXBGLPBLF-SNVBAGLBSA-N 1 0 316.302 3.004 50 0 DGAARO CCC[NH+]1CCC(NC(=O)COc2cc(C)ccc2Cl)CC1 ZINC000008130770 181528230 /nfs/dbraw/zinc/52/82/30/181528230.db2.gz XXCAGPAXCUOGFS-UHFFFAOYSA-N 1 0 324.852 3.018 50 0 DGAARO COc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008581208 181565841 /nfs/dbraw/zinc/56/58/41/181565841.db2.gz IXKMEAVFDWIZDA-UHFFFAOYSA-N 1 0 300.402 3.489 50 0 DGAARO O=C1CC[N@@H+](Cc2ccoc2)CCN1Cc1ccccc1Cl ZINC000012279423 181745349 /nfs/dbraw/zinc/74/53/49/181745349.db2.gz CRQBLBOUBRHLHP-UHFFFAOYSA-N 1 0 318.804 3.168 50 0 DGAARO CC(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccc(F)cc1 ZINC000016046945 182031377 /nfs/dbraw/zinc/03/13/77/182031377.db2.gz YSPXPJPRRXAVIW-SFHVURJKSA-N 1 0 318.392 3.364 50 0 DGAARO CCOc1ccccc1OCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247629 182038753 /nfs/dbraw/zinc/03/87/53/182038753.db2.gz KHMIEYFZCOFTEM-IYBDPMFKSA-N 1 0 307.434 3.354 50 0 DGAARO CCCCOc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000016602557 182051879 /nfs/dbraw/zinc/05/18/79/182051879.db2.gz ZYLHRJIAXXNKIM-UHFFFAOYSA-N 1 0 318.461 3.468 50 0 DGAARO CCC[NH+]1CCC(NC(=O)c2cccc(OC(C)C)c2)CC1 ZINC000016602874 182051914 /nfs/dbraw/zinc/05/19/14/182051914.db2.gz WSQIGWLUTUAFPG-UHFFFAOYSA-N 1 0 304.434 3.078 50 0 DGAARO CCC[NH+]1CCC(NCc2ccccc2Br)CC1 ZINC000016662699 182056920 /nfs/dbraw/zinc/05/69/20/182056920.db2.gz WPAPHLZVMYCFHI-UHFFFAOYSA-N 1 0 311.267 3.413 50 0 DGAARO [NH3+]Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000019734178 182140038 /nfs/dbraw/zinc/14/00/38/182140038.db2.gz QDQTYIQVATZVIF-UHFFFAOYSA-N 1 0 301.777 3.227 50 0 DGAARO COc1ccc(CC[NH2+]Cc2cc(F)ccc2F)cc1OC ZINC000019643050 182134196 /nfs/dbraw/zinc/13/41/96/182134196.db2.gz XYTXSHRUJUPSHH-UHFFFAOYSA-N 1 0 307.340 3.314 50 0 DGAARO COc1ccccc1CN1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000019781772 182147930 /nfs/dbraw/zinc/14/79/30/182147930.db2.gz HBXKPMZOCZJPKH-UHFFFAOYSA-N 1 0 310.441 3.321 50 0 biogenic DGAARO COC[C@@H]1CCCC[N@@H+]1CCCn1c(C)nc2ccccc21 ZINC000019800076 182151639 /nfs/dbraw/zinc/15/16/39/182151639.db2.gz JUPCSSPNWSWSHR-INIZCTEOSA-N 1 0 301.434 3.236 50 0 DGAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)CN1CCc2ccccc2C1 ZINC000019852706 182157578 /nfs/dbraw/zinc/15/75/78/182157578.db2.gz XLGJRFMSEVYXJY-SFHVURJKSA-N 1 0 305.425 3.096 50 0 DGAARO CCCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100394 182186964 /nfs/dbraw/zinc/18/69/64/182186964.db2.gz JEZHOXXWIRQIJK-UHFFFAOYSA-N 1 0 308.853 3.468 50 0 DGAARO CSc1cccc(CN(C)C(=O)CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000020202376 182197467 /nfs/dbraw/zinc/19/74/67/182197467.db2.gz SUKCPMUSQKFDAJ-HNNXBMFYSA-N 1 0 320.502 3.489 50 0 DGAARO Cc1cnccc1-c1cccc(-c2ccn(CC[NH+](C)C)n2)c1 ZINC000020293997 182203193 /nfs/dbraw/zinc/20/31/93/182203193.db2.gz OATCTGFNEWYXBN-UHFFFAOYSA-N 1 0 306.413 3.482 50 0 DGAARO CC(C)C[N@@H+]1CCN(Cc2ccc(C(C)C)cc2)C[C@@H]1CCO ZINC000020388285 182213538 /nfs/dbraw/zinc/21/35/38/182213538.db2.gz JGRXDXZLZVXNTI-FQEVSTJZSA-N 1 0 318.505 3.335 50 0 DGAARO C[C@@H]1C[NH+](C2CCN(Cc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000020329811 182208551 /nfs/dbraw/zinc/20/85/51/182208551.db2.gz AZDORFUDLGFHJW-HUUCEWRRSA-N 1 0 322.880 3.414 50 0 DGAARO Cc1ccc(Cl)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000020563949 182232713 /nfs/dbraw/zinc/23/27/13/182232713.db2.gz RAAGTZUWXSWKDX-CQSZACIVSA-N 1 0 307.825 3.350 50 0 DGAARO Cc1c(Cl)cccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000020563959 182232769 /nfs/dbraw/zinc/23/27/69/182232769.db2.gz MQBLWULSRJWGHR-ZDUSSCGKSA-N 1 0 307.825 3.350 50 0 DGAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccnc3)cc2)C1 ZINC000020493539 182224089 /nfs/dbraw/zinc/22/40/89/182224089.db2.gz YEJNYMQQUFWTJW-INIZCTEOSA-N 1 0 323.440 3.244 50 0 DGAARO C[NH+]1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020653168 182242039 /nfs/dbraw/zinc/24/20/39/182242039.db2.gz NBRUKEFADYTPPM-UHFFFAOYSA-N 1 0 310.441 3.370 50 0 DGAARO CCc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000021670122 182283267 /nfs/dbraw/zinc/28/32/67/182283267.db2.gz QWYWUBQOHSPZBJ-OAHLLOKOSA-N 1 0 302.443 3.343 50 0 DGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021719788 182286620 /nfs/dbraw/zinc/28/66/20/182286620.db2.gz RIWGVAKBNFGIGP-INIZCTEOSA-N 1 0 314.385 3.415 50 0 DGAARO C[C@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000022090496 182308121 /nfs/dbraw/zinc/30/81/21/182308121.db2.gz GZBOKZTXZSDMNS-NSHDSACASA-N 1 0 313.788 3.427 50 0 DGAARO OCC[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1C1CCCC1 ZINC000023361179 182358247 /nfs/dbraw/zinc/35/82/47/182358247.db2.gz NVIMHEXGZJLAGD-SFHVURJKSA-N 1 0 322.880 3.151 50 0 DGAARO COc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000024367056 182379238 /nfs/dbraw/zinc/37/92/38/182379238.db2.gz VYUNEKYDCFUZCN-ZDUSSCGKSA-N 1 0 319.430 3.181 50 0 DGAARO CCN(CC)C(=O)[C@H](SCCC[NH+](C)C)c1ccccc1 ZINC000096010334 284543457 /nfs/dbraw/zinc/54/34/57/284543457.db2.gz VGQZEETUWUCKKN-MRXNPFEDSA-N 1 0 308.491 3.281 50 0 DGAARO Cc1cccc(-n2nnnc2C(C)(C)[NH2+]CCc2ccccc2)c1 ZINC000035622478 182782906 /nfs/dbraw/zinc/78/29/06/182782906.db2.gz UVAZJEJEECLYTO-UHFFFAOYSA-N 1 0 321.428 3.038 50 0 DGAARO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036095489 182798635 /nfs/dbraw/zinc/79/86/35/182798635.db2.gz FZUQEBPPSUDZSM-SFHVURJKSA-N 1 0 317.404 3.478 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036102255 182801444 /nfs/dbraw/zinc/80/14/44/182801444.db2.gz RJQNXULNKICSRK-WMZOPIPTSA-N 1 0 323.477 3.329 50 0 DGAARO Cc1cc(C(F)(F)F)nc(NC2CC[NH+](C(C)C)CC2)n1 ZINC000036618677 182829319 /nfs/dbraw/zinc/82/93/19/182829319.db2.gz AMSVXMJPHZCANH-UHFFFAOYSA-N 1 0 302.344 3.089 50 0 DGAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccnc(Cl)c1 ZINC000037991463 182955634 /nfs/dbraw/zinc/95/56/34/182955634.db2.gz RDKTZUPXHACILY-UHFFFAOYSA-N 1 0 311.857 3.175 50 0 DGAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000040058478 183029703 /nfs/dbraw/zinc/02/97/03/183029703.db2.gz XGYLPGRCKDIQPB-UHFFFAOYSA-N 1 0 307.825 3.139 50 0 DGAARO Cc1ccccc1[C@@H](CC(=O)NCC[NH+](C)C)c1ccccc1 ZINC000039400643 183018247 /nfs/dbraw/zinc/01/82/47/183018247.db2.gz OBJWABIDZRVCTG-IBGZPJMESA-N 1 0 310.441 3.195 50 0 DGAARO Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2NCC[NH+](C)C ZINC000040216760 183046587 /nfs/dbraw/zinc/04/65/87/183046587.db2.gz ZCRAXKQOAYLJGZ-UHFFFAOYSA-N 1 0 323.444 3.295 50 0 DGAARO O=C(NCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000040088357 183032949 /nfs/dbraw/zinc/03/29/49/183032949.db2.gz HZBJHOOYTAWBLK-LJQANCHMSA-N 1 0 323.440 3.150 50 0 DGAARO Cc1ccc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000040119884 183038024 /nfs/dbraw/zinc/03/80/24/183038024.db2.gz PGFFNDMASPKTSI-IAGOWNOFSA-N 1 0 317.477 3.162 50 0 DGAARO O=C(/C=C/c1cccnc1)Nc1ccccc1C[NH+]1CCCC1 ZINC000041971701 183226873 /nfs/dbraw/zinc/22/68/73/183226873.db2.gz OAAAWHJIJFEUCN-MDZDMXLPSA-N 1 0 307.397 3.329 50 0 DGAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCC(F)(F)CC1 ZINC000095376679 284665654 /nfs/dbraw/zinc/66/56/54/284665654.db2.gz XWWZWRLKMMMZDP-OAHLLOKOSA-N 1 0 308.372 3.025 50 0 DGAARO O=C(NC1CCCCC1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000042862163 183315025 /nfs/dbraw/zinc/31/50/25/183315025.db2.gz HULCHYNMXLLSOZ-UHFFFAOYSA-N 1 0 321.490 3.298 50 0 DGAARO Cc1ccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000043060418 183332615 /nfs/dbraw/zinc/33/26/15/183332615.db2.gz MVCFPONFIVAZQU-UHFFFAOYSA-N 1 0 317.477 3.306 50 0 DGAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2scnc2C)cc1 ZINC000046573170 183564665 /nfs/dbraw/zinc/56/46/65/183564665.db2.gz XNLXVORRNRNFIY-UHFFFAOYSA-N 1 0 317.458 3.223 50 0 DGAARO O=C(Nc1ccc(F)c(F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047335649 183587577 /nfs/dbraw/zinc/58/75/77/183587577.db2.gz DDGDYZNCRFTEKV-UHFFFAOYSA-N 1 0 323.387 3.447 50 0 DGAARO O=C(C[C@@H]1C=CCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106155164 194189057 /nfs/dbraw/zinc/18/90/57/194189057.db2.gz YLBVRAHUSSSVHW-MJGOQNOKSA-N 1 0 312.457 3.371 50 0 DGAARO CC(C)Cc1cn(C2CC[NH+](C3Cc4ccccc4C3)CC2)nn1 ZINC000048115520 183621727 /nfs/dbraw/zinc/62/17/27/183621727.db2.gz SWPNSZDEFRVAKP-UHFFFAOYSA-N 1 0 324.472 3.281 50 0 DGAARO Cc1cccc(CSCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000048313007 183642996 /nfs/dbraw/zinc/64/29/96/183642996.db2.gz HKMXGPPRYSFEOU-UHFFFAOYSA-N 1 0 320.502 3.217 50 0 DGAARO CC(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000058051260 184071037 /nfs/dbraw/zinc/07/10/37/184071037.db2.gz VRFZBJIQPMQNMG-KGLIPLIRSA-N 1 0 317.433 3.274 50 0 DGAARO O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058060292 184071993 /nfs/dbraw/zinc/07/19/93/184071993.db2.gz NQWAVSOODRIHCM-OAHLLOKOSA-N 1 0 307.825 3.432 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccncc3)C2)CC1 ZINC000058174424 184084574 /nfs/dbraw/zinc/08/45/74/184084574.db2.gz MVNNHEWKABFNIB-INIZCTEOSA-N 1 0 316.449 3.057 50 0 DGAARO O=C(C[C@H]1C=CCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058229159 184091156 /nfs/dbraw/zinc/09/11/56/184091156.db2.gz YLBVRAHUSSSVHW-PKOBYXMFSA-N 1 0 312.457 3.371 50 0 DGAARO O=C(C[NH2+]Cc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 ZINC000058160849 184082367 /nfs/dbraw/zinc/08/23/67/184082367.db2.gz KXOLXCZNQSZOHA-GOSISDBHSA-N 1 0 312.388 3.109 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000058365412 184109206 /nfs/dbraw/zinc/10/92/06/184109206.db2.gz WBEOFHUCTHWKFX-KRWDZBQOSA-N 1 0 300.446 3.271 50 0 DGAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1F ZINC000058391747 184111361 /nfs/dbraw/zinc/11/13/61/184111361.db2.gz LEJLGZKLSZCFMQ-UHFFFAOYSA-N 1 0 322.399 3.349 50 0 DGAARO COc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000058313812 184104013 /nfs/dbraw/zinc/10/40/13/184104013.db2.gz PPZFGQFWVMCFTI-KSSFIOAISA-N 1 0 319.449 3.327 50 0 DGAARO C[N@H+](CCCOc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000061761213 184186295 /nfs/dbraw/zinc/18/62/95/184186295.db2.gz RSYGYMLSQHECRA-QGZVFWFLSA-N 1 0 313.397 3.227 50 0 DGAARO CCn1cc(C[N@H+](CC)Cc2c(C)cc(C)c(CO)c2C)cn1 ZINC000063855886 184289616 /nfs/dbraw/zinc/28/96/16/184289616.db2.gz JJQVBMVGMCBTRG-UHFFFAOYSA-N 1 0 315.461 3.343 50 0 DGAARO Cc1nc2c(c(NCc3cc4ccccc4s3)n1)CC[NH2+]CC2 ZINC000063855631 184289772 /nfs/dbraw/zinc/28/97/72/184289772.db2.gz QYMALHBNRNASOX-UHFFFAOYSA-N 1 0 324.453 3.300 50 0 DGAARO CC[NH+](CC)CCCNC(=O)c1ccnc(-c2cccs2)c1 ZINC000065063063 184309956 /nfs/dbraw/zinc/30/99/56/184309956.db2.gz UBDVZODLVGBPRA-UHFFFAOYSA-N 1 0 317.458 3.272 50 0 DGAARO Cc1cccn2c(C[NH2+][C@H](C)CCc3ccc(O)cc3)cnc12 ZINC000065393445 184334818 /nfs/dbraw/zinc/33/48/18/184334818.db2.gz SBBSSNYUTQSZNV-OAHLLOKOSA-N 1 0 309.413 3.459 50 0 DGAARO Cc1ccc(C[N@H+]2CC[C@@H](c3nc4cccnc4n3C)C2)cc1 ZINC000065285303 184321038 /nfs/dbraw/zinc/32/10/38/184321038.db2.gz CKPIMFYBGBJKNH-MRXNPFEDSA-N 1 0 306.413 3.266 50 0 DGAARO Cc1ncsc1CC[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065396690 184334962 /nfs/dbraw/zinc/33/49/62/184334962.db2.gz QMUKVTOJQHUEAC-UHFFFAOYSA-N 1 0 312.442 3.312 50 0 DGAARO C[C@@H](CCc1ccccc1)[NH2+]CCc1nc(-c2cccnc2)no1 ZINC000065383323 184332389 /nfs/dbraw/zinc/33/23/89/184332389.db2.gz CWFPFHBVYACBCV-HNNXBMFYSA-N 1 0 322.412 3.285 50 0 DGAARO CCCN(C/C=C/c1ccccc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000065431913 184344248 /nfs/dbraw/zinc/34/42/48/184344248.db2.gz VTKQQVJYLASCAG-AHKGRUIUSA-N 1 0 312.457 3.328 50 0 DGAARO CC[C@H](Nc1nc(CC[NH3+])nc2ccccc21)c1ncccc1C ZINC000065434486 184345084 /nfs/dbraw/zinc/34/50/84/184345084.db2.gz XTMNLAQARBRFPR-HNNXBMFYSA-N 1 0 321.428 3.398 50 0 DGAARO CS(=O)(=O)c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000065492232 184354443 /nfs/dbraw/zinc/35/44/43/184354443.db2.gz NUGSGOUNRHAYSE-UHFFFAOYSA-N 1 0 315.438 3.353 50 0 DGAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@H](C)CC(C)(C)O ZINC000065406339 184338368 /nfs/dbraw/zinc/33/83/68/184338368.db2.gz FJHFFYDDZZZLLY-SNVBAGLBSA-N 1 0 310.388 3.436 50 0 DGAARO Cn1cc(C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)c2ccccc21 ZINC000065526126 184359703 /nfs/dbraw/zinc/35/97/03/184359703.db2.gz TWMXFDDWOGFOCU-MRXNPFEDSA-N 1 0 308.429 3.287 50 0 DGAARO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3C)C2)cc1 ZINC000065508769 184357525 /nfs/dbraw/zinc/35/75/25/184357525.db2.gz RPWVEWZVCUZCOZ-FQEVSTJZSA-N 1 0 324.424 3.047 50 0 DGAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc2c(c1)CCCC2 ZINC000069454024 184516194 /nfs/dbraw/zinc/51/61/94/184516194.db2.gz HYXXBKWUQBVSJI-HUUCEWRRSA-N 1 0 310.445 3.154 50 0 DGAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(C)s2)cn1 ZINC000083843513 252591961 /nfs/dbraw/zinc/59/19/61/252591961.db2.gz CTJVURCZVWOREV-XJKSGUPXSA-N 1 0 305.447 3.140 50 0 DGAARO O=S1CCC([NH2+]C[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000067805539 285074638 /nfs/dbraw/zinc/07/46/38/285074638.db2.gz QDXKSNALSBJCRZ-IDYZSHNDSA-N 1 0 305.487 3.461 50 0 DGAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1(C)C ZINC000158846953 197305999 /nfs/dbraw/zinc/30/59/99/197305999.db2.gz LHZANOUHXMHKDM-IRXDYDNUSA-N 1 0 300.446 3.013 50 0 DGAARO OCC[C@H]1C[N@@H+](C2CCCCCC2)CCN1Cc1ccccc1 ZINC000020450202 285267129 /nfs/dbraw/zinc/26/71/29/285267129.db2.gz ZVQDZRVTKUUWOE-FQEVSTJZSA-N 1 0 316.489 3.278 50 0 DGAARO C[C@@H](O)C[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000289876914 221287712 /nfs/dbraw/zinc/28/77/12/221287712.db2.gz MDGDDIQJCUBSAV-ZBFHGGJFSA-N 1 0 322.449 3.003 50 0 DGAARO CC(C)=CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365163234 257235225 /nfs/dbraw/zinc/23/52/25/257235225.db2.gz ONUPMRGQPCHQLI-WBVHZDCISA-N 1 0 305.466 3.001 50 0 DGAARO Cc1csc(-c2cccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)c2)n1 ZINC000237626685 257238451 /nfs/dbraw/zinc/23/84/51/257238451.db2.gz XUADCVYPGGTDNS-SWLSCSKDSA-N 1 0 315.442 3.070 50 0 DGAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000237615087 257238462 /nfs/dbraw/zinc/23/84/62/257238462.db2.gz RZRRUXZCAVOBOP-JGVFFNPUSA-N 1 0 305.180 3.084 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000237483649 257238493 /nfs/dbraw/zinc/23/84/93/257238493.db2.gz XVNIETHJSPOEIK-ZHVYSYIMSA-N 1 0 312.335 3.057 50 0 DGAARO Cc1ccc(-c2ccc(C(=O)NCCC[NH+](C)C)c(C)n2)cc1 ZINC000257173029 257257900 /nfs/dbraw/zinc/25/79/00/257257900.db2.gz ARJXDOYSFYWPAZ-UHFFFAOYSA-N 1 0 311.429 3.047 50 0 DGAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCCC3)c(C)o2)c1 ZINC000071762834 257270421 /nfs/dbraw/zinc/27/04/21/257270421.db2.gz MFVOKXSUIWWDDV-UHFFFAOYSA-N 1 0 302.374 3.263 50 0 DGAARO COCC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 ZINC000090407664 545826548 /nfs/dbraw/zinc/82/65/48/545826548.db2.gz WSRFCINVYBQBLC-QGZVFWFLSA-N 1 0 324.852 3.018 50 0 DGAARO COc1cc(C[NH2+]Cc2cccc(F)c2)cc(OC)c1OC ZINC000004997249 400085933 /nfs/dbraw/zinc/08/59/33/400085933.db2.gz CACXACAUJHYWFT-UHFFFAOYSA-N 1 0 305.349 3.141 50 0 DGAARO O[C@]12CCCC[C@H]1[C@H](c1cccc(Br)c1)[NH2+]CC2 ZINC000006471272 400091927 /nfs/dbraw/zinc/09/19/27/400091927.db2.gz MBLRVINXDJTALG-KKUMJFAQSA-N 1 0 310.235 3.405 50 0 DGAARO O[C@]12CCCC[C@@H]1[C@@H](c1cccc(Br)c1)[NH2+]CC2 ZINC000006471270 400092025 /nfs/dbraw/zinc/09/20/25/400092025.db2.gz MBLRVINXDJTALG-KFWWJZLASA-N 1 0 310.235 3.405 50 0 DGAARO O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000584894309 400122390 /nfs/dbraw/zinc/12/23/90/400122390.db2.gz TWSQMKIDEDOOFJ-SOLBZPMBSA-N 1 0 302.462 3.066 50 0 DGAARO CC[C@H](NC(=O)N(C)Cc1ncc[nH]1)c1ccc(C)cc1C ZINC000584903572 400124372 /nfs/dbraw/zinc/12/43/72/400124372.db2.gz UJBSJLSPTUPHIX-HNNXBMFYSA-N 1 0 300.406 3.319 50 0 DGAARO CC(=O)NC1CC[NH+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000585136919 400127290 /nfs/dbraw/zinc/12/72/90/400127290.db2.gz YNVYFAQXJZPGPY-UHFFFAOYSA-N 1 0 323.849 3.050 50 0 DGAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc(Br)c1 ZINC000022078146 400198049 /nfs/dbraw/zinc/19/80/49/400198049.db2.gz PRBCIHVYPSKWBP-WFASDCNBSA-N 1 0 309.251 3.118 50 0 DGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000096479090 400275746 /nfs/dbraw/zinc/27/57/46/400275746.db2.gz AUFAZGJAZBFXIX-OOSNJVJTSA-N 1 0 305.487 3.213 50 0 DGAARO CC1(C)[C@@H]([NH2+]CCc2nnc3ccccn32)C[C@H]1c1ccccc1 ZINC000097379781 400285880 /nfs/dbraw/zinc/28/58/80/400285880.db2.gz DUYITCFSRIAQLQ-IRXDYDNUSA-N 1 0 320.440 3.444 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2nccs2)C12CCC2 ZINC000404772090 400297226 /nfs/dbraw/zinc/29/72/26/400297226.db2.gz ZYJKBMYRNHTXSI-NWDGAFQWSA-N 1 0 323.462 3.069 50 0 DGAARO CC(C)[N@@H+]1C[C@@H](CNC(=O)c2ccco2)C2(C1)CCCCC2 ZINC000409419671 400301397 /nfs/dbraw/zinc/30/13/97/400301397.db2.gz ARIRDKQTWGAOEH-OAHLLOKOSA-N 1 0 304.434 3.300 50 0 DGAARO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000106216972 400325249 /nfs/dbraw/zinc/32/52/49/400325249.db2.gz DHFMMSAOXFGLPY-MRXNPFEDSA-N 1 0 317.408 3.301 50 0 DGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000069967176 400349912 /nfs/dbraw/zinc/34/99/12/400349912.db2.gz RSWBGCJWIALVPY-SJORKVTESA-N 1 0 323.444 3.176 50 0 DGAARO CC(=O)O[C@@H](C[NH2+]C(C)C)COc1cccc2ccccc21 ZINC000032197133 400360177 /nfs/dbraw/zinc/36/01/77/400360177.db2.gz KIQZYYYXMURMTK-INIZCTEOSA-N 1 0 301.386 3.148 50 0 DGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cnc(-c3ccccc3)nc2)c1 ZINC000071882151 400371706 /nfs/dbraw/zinc/37/17/06/400371706.db2.gz FKLKEVIANWYPQV-HZPDHXFCSA-N 1 0 321.428 3.388 50 0 DGAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1 ZINC000071909550 400373462 /nfs/dbraw/zinc/37/34/62/400373462.db2.gz POWYUWMKRVMWIP-QAPCUYQASA-N 1 0 324.428 3.114 50 0 DGAARO COc1c(C)cc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1C ZINC000072274453 400377444 /nfs/dbraw/zinc/37/74/44/400377444.db2.gz BWPXQKVTVRMBPK-UHFFFAOYSA-N 1 0 322.449 3.316 50 0 DGAARO CCNC(=O)Nc1ccc2[nH]c3c(c2c1)C[N@@H+](C(C)C)CC3 ZINC000075337073 400574330 /nfs/dbraw/zinc/57/43/30/400574330.db2.gz PBIHJKXIONBAOF-UHFFFAOYSA-N 1 0 300.406 3.076 50 0 DGAARO Cc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1 ZINC000076042619 400628579 /nfs/dbraw/zinc/62/85/79/400628579.db2.gz GJMKCOZSQCANSK-YOEHRIQHSA-N 1 0 319.474 3.274 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1F ZINC000076056514 400629515 /nfs/dbraw/zinc/62/95/15/400629515.db2.gz QOYHDRJWOWDHNZ-IIYDPXPESA-N 1 0 304.409 3.123 50 0 DGAARO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)c1C ZINC000076057622 400630976 /nfs/dbraw/zinc/63/09/76/400630976.db2.gz OYPCQRXTAUCZHO-CRAIPNDOSA-N 1 0 302.462 3.286 50 0 DGAARO O[C@@H](CN1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000163926232 400748909 /nfs/dbraw/zinc/74/89/09/400748909.db2.gz VKJKVMHUVSQEET-SFHVURJKSA-N 1 0 322.880 3.324 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000169678021 400758951 /nfs/dbraw/zinc/75/89/51/400758951.db2.gz RJQNXULNKICSRK-FUHWJXTLSA-N 1 0 323.477 3.329 50 0 DGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000169789059 400760814 /nfs/dbraw/zinc/76/08/14/400760814.db2.gz VJYSZHKMMCBLMT-HXUWFJFHSA-N 1 0 314.473 3.384 50 0 DGAARO CC[N@@H+]1CCCN(C(=O)CCC2CCCC2)CC12CCOCC2 ZINC000169791915 400761704 /nfs/dbraw/zinc/76/17/04/400761704.db2.gz OGHPFHAMSLSSGB-UHFFFAOYSA-N 1 0 322.493 3.060 50 0 DGAARO CCCCS[C@@H](C)C(=O)N(CC)C[C@@H]1CCC[N@@H+]1CC ZINC000170599152 400765038 /nfs/dbraw/zinc/76/50/38/400765038.db2.gz ZXELEAJHYFKAAB-GJZGRUSLSA-N 1 0 300.512 3.241 50 0 DGAARO CSCCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000170616034 400766445 /nfs/dbraw/zinc/76/64/45/400766445.db2.gz NDRIBSZWTRQAON-HNNXBMFYSA-N 1 0 321.490 3.184 50 0 DGAARO FC(F)Oc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000078758003 400825292 /nfs/dbraw/zinc/82/52/92/400825292.db2.gz CHXGXHNHZQAATQ-UHFFFAOYSA-N 1 0 321.323 3.349 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cc(F)ccc1F ZINC000078896990 400831353 /nfs/dbraw/zinc/83/13/53/400831353.db2.gz XIRBSCIULUCRRS-NVGCLXPQSA-N 1 0 322.399 3.262 50 0 DGAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000078898175 400831880 /nfs/dbraw/zinc/83/18/80/400831880.db2.gz JIYOVAYKOHNFAO-MLGOLLRUSA-N 1 0 306.837 3.077 50 0 DGAARO O=C(Nc1cccnc1)N(CC[NH+]1CCCC1)Cc1ccccc1 ZINC000079107189 400846458 /nfs/dbraw/zinc/84/64/58/400846458.db2.gz ALEQBHLGNJZMQE-UHFFFAOYSA-N 1 0 324.428 3.212 50 0 DGAARO OC[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000190515884 400910672 /nfs/dbraw/zinc/91/06/72/400910672.db2.gz HOWLDFUQVVQJOQ-RDBSUJKOSA-N 1 0 317.351 3.006 50 0 DGAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)C1 ZINC000606441101 400913389 /nfs/dbraw/zinc/91/33/89/400913389.db2.gz GMNQTIOSPHIUAQ-GZTOBOFZSA-N 1 0 313.228 3.075 50 0 DGAARO CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@H]2CCCSC2)C1 ZINC000195560535 400925153 /nfs/dbraw/zinc/92/51/53/400925153.db2.gz GNDYPJZMCQZWQC-HNNXBMFYSA-N 1 0 320.502 3.123 50 0 DGAARO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000195559843 400925933 /nfs/dbraw/zinc/92/59/33/400925933.db2.gz KOZGYRYCSYHXLC-YOEHRIQHSA-N 1 0 309.475 3.147 50 0 DGAARO Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3ccnc3)C2)s1 ZINC000229548062 400966459 /nfs/dbraw/zinc/96/64/59/400966459.db2.gz VVBAPLGBJFUQJV-KFWWJZLASA-N 1 0 315.442 3.220 50 0 DGAARO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2cc(F)ccc2CO)cc1 ZINC000629732948 401064594 /nfs/dbraw/zinc/06/45/94/401064594.db2.gz UYGVUFDXOSJMKD-KPZWWZAWSA-N 1 0 301.361 3.034 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000248109608 401065151 /nfs/dbraw/zinc/06/51/51/401065151.db2.gz GUTYJSHOGDKGEM-FJIDUMEYSA-N 1 0 316.420 3.014 50 0 DGAARO 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ZINC000261833242 165753734 /nfs/dbraw/zinc/75/37/34/165753734.db2.gz LBXKDZKWFXLXTH-QGZVFWFLSA-N 1 0 314.473 3.393 50 0 DGAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2nncn2-c2ccccc2)C1 ZINC000129264571 196034210 /nfs/dbraw/zinc/03/42/10/196034210.db2.gz NIGBYKMQTPUVLE-CHWSQXEVSA-N 1 0 324.350 3.478 50 0 DGAARO Cc1sc(C(=O)N2CC[C@@H]([NH3+])C2)cc1-c1ccc(F)cc1 ZINC000132697904 196276847 /nfs/dbraw/zinc/27/68/47/196276847.db2.gz NXSFMISOIKEUIY-CYBMUJFWSA-N 1 0 304.390 3.036 50 0 DGAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(OC)c(-c3ccccc3)c2)C1 ZINC000132884346 196293225 /nfs/dbraw/zinc/29/32/25/196293225.db2.gz ZEFQRJDSEYXXMV-QGZVFWFLSA-N 1 0 324.424 3.186 50 0 DGAARO O=C(Nc1nnc(CC[NH+]2CCCCC2)s1)C1CCCCC1 ZINC000001275235 425577000 /nfs/dbraw/zinc/57/70/00/425577000.db2.gz YAECGHJYCRULKM-UHFFFAOYSA-N 1 0 322.478 3.085 50 0 DGAARO CC(C)(C)n1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)nn1 ZINC000191605217 273504329 /nfs/dbraw/zinc/50/43/29/273504329.db2.gz YDLAYDGQPBHDEI-NVXWUHKLSA-N 1 0 314.433 3.043 50 0 DGAARO O=C1Nc2ccccc2NC12CC[NH+](CCc1ccccc1)CC2 ZINC000082083089 275026113 /nfs/dbraw/zinc/02/61/13/275026113.db2.gz SAPORVRSWVHBEC-UHFFFAOYSA-N 1 0 321.424 3.128 50 0 DGAARO CCCC[C@@H](C)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082125240 275980820 /nfs/dbraw/zinc/98/08/20/275980820.db2.gz MWVMRMVXVFGCFB-CQSZACIVSA-N 1 0 301.434 3.464 50 0 DGAARO CN1CCC([NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC000095990425 277030710 /nfs/dbraw/zinc/03/07/10/277030710.db2.gz DNTDXHKWNZSMGP-UHFFFAOYSA-N 1 0 309.251 3.122 50 0 DGAARO C[NH2+][C@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(Cl)cc1 ZINC000061886119 277296872 /nfs/dbraw/zinc/29/68/72/277296872.db2.gz KHCZBRQXKFBDLU-NVXWUHKLSA-N 1 0 303.789 3.498 50 0 DGAARO COc1c(C[NH2+][C@@H]2C[C@@H]2c2ccc(F)cc2)c(C(C)C)nn1C ZINC000058421522 277363851 /nfs/dbraw/zinc/36/38/51/277363851.db2.gz LEEBKBCHHBKOQZ-GDBMZVCRSA-N 1 0 317.408 3.337 50 0 DGAARO COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000010017884 278007744 /nfs/dbraw/zinc/00/77/44/278007744.db2.gz 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/nfs/dbraw/zinc/19/27/54/431192754.db2.gz BSEAVXXIVKTVCP-MRXNPFEDSA-N 1 0 301.365 3.320 50 0 DGAARO Cc1ccc([C@@H](CNC(=O)Cc2cccs2)[NH+]2CCCC2)o1 ZINC000069559851 431198987 /nfs/dbraw/zinc/19/89/87/431198987.db2.gz WLQWCPUKYRWDAN-OAHLLOKOSA-N 1 0 318.442 3.145 50 0 DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000000213078 431146800 /nfs/dbraw/zinc/14/68/00/431146800.db2.gz LEQYMOQTMDTRQD-CYBMUJFWSA-N 1 0 310.388 3.045 50 0 DGAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000000212164 431147700 /nfs/dbraw/zinc/14/77/00/431147700.db2.gz PQPLMGHJWCVCQL-SFHVURJKSA-N 1 0 300.446 3.301 50 0 DGAARO C[C@H](C[NH+]1CCCCC1)OC(=O)COc1ccc(Cl)cc1 ZINC000000249794 431154236 /nfs/dbraw/zinc/15/42/36/431154236.db2.gz PBMKRUYNWHALTG-CYBMUJFWSA-N 1 0 311.809 3.136 50 0 DGAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000000283513 431159724 /nfs/dbraw/zinc/15/97/24/431159724.db2.gz DPHZTCZRKHWRBE-PBHICJAKSA-N 1 0 304.409 3.162 50 0 DGAARO COc1cc(C[NH2+]Cc2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000000292658 431160517 /nfs/dbraw/zinc/16/05/17/431160517.db2.gz YJBDTHLHMBLGAY-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 DGAARO CCCc1nc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)s1 ZINC000069585604 431202213 /nfs/dbraw/zinc/20/22/13/431202213.db2.gz PDEPUQALCIZDMV-KBPBESRZSA-N 1 0 321.490 3.103 50 0 DGAARO CSCc1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000069973927 431235450 /nfs/dbraw/zinc/23/54/50/431235450.db2.gz XWRYPKRUCXHHBA-IRXDYDNUSA-N 1 0 318.486 3.248 50 0 DGAARO O[C@H](C[NH2+]CCc1ccccc1)COc1cccc2ccccc21 ZINC000001688569 431235603 /nfs/dbraw/zinc/23/56/03/431235603.db2.gz WGWCQQJDGPKRGN-LJQANCHMSA-N 1 0 321.420 3.412 50 0 DGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000070172432 431242404 /nfs/dbraw/zinc/24/24/04/431242404.db2.gz XNKISXBVEYUJOE-NXEZZACHSA-N 1 0 301.217 3.193 50 0 DGAARO Cc1ccc(OCCSc2nc(N)cc(N)[nH+]2)c(C(C)C)c1 ZINC000002459119 431250996 /nfs/dbraw/zinc/25/09/96/431250996.db2.gz QKQHYTPKYURKPO-UHFFFAOYSA-N 1 0 318.446 3.244 50 0 DGAARO C[C@H]1CCCC[N@@H+]1CCNc1[nH]c(=S)nc2ccccc21 ZINC000002499685 431253538 /nfs/dbraw/zinc/25/35/38/431253538.db2.gz UZXYPFJZCQUKEU-LBPRGKRZSA-N 1 0 302.447 3.205 50 0 DGAARO O=C(c1ccccc1C[NH+]1CCC2(CC1)OCCO2)C1CCC1 ZINC000002515756 431254923 /nfs/dbraw/zinc/25/49/23/431254923.db2.gz MMBCHPHMLAFOBE-UHFFFAOYSA-N 1 0 315.413 3.008 50 0 DGAARO Cc1cc(Cl)ccc1OCCCC(=O)NC1CC[NH+](C)CC1 ZINC000002872738 431276348 /nfs/dbraw/zinc/27/63/48/431276348.db2.gz PWCZINXPDHUFKO-UHFFFAOYSA-N 1 0 324.852 3.018 50 0 DGAARO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000071799342 431288532 /nfs/dbraw/zinc/28/85/32/431288532.db2.gz LMJCCPGFTXAMCF-SFHVURJKSA-N 1 0 307.401 3.009 50 0 DGAARO [NH2+]=C1N=CN(c2ccc(Br)cc2)C2(CCCCC2)N1 ZINC000003953782 431293865 /nfs/dbraw/zinc/29/38/65/431293865.db2.gz LSOPRSYYHIUDJF-UHFFFAOYSA-N 1 0 321.222 3.273 50 0 DGAARO Cn1cc(CCC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cn1 ZINC000071830484 431295572 /nfs/dbraw/zinc/29/55/72/431295572.db2.gz FWBWIFKUXVXCED-INIZCTEOSA-N 1 0 324.428 3.374 50 0 DGAARO C=C1[NH+]=C(N)S[C@@H](c2ccc(Cl)cc2)C1C(=O)OCC ZINC000004313412 431298533 /nfs/dbraw/zinc/29/85/33/431298533.db2.gz NXHANAHLABKLSF-LBPRGKRZSA-N 1 0 310.806 3.280 50 0 DGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000006205615 431316894 /nfs/dbraw/zinc/31/68/94/431316894.db2.gz WPABIOSYIGEKBR-CYBMUJFWSA-N 1 0 303.387 3.148 50 0 DGAARO Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)s1 ZINC000071870437 431303570 /nfs/dbraw/zinc/30/35/70/431303570.db2.gz QINNJGQWWHKCJP-FXUDXRNXSA-N 1 0 318.486 3.245 50 0 DGAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)n1 ZINC000071876061 431304132 /nfs/dbraw/zinc/30/41/32/431304132.db2.gz NDLVNPHIOLAZNE-OAHLLOKOSA-N 1 0 310.401 3.306 50 0 DGAARO CCOc1cccc(C[NH2+]CCO)c1OCc1ccc(C)cc1 ZINC000006744030 431317036 /nfs/dbraw/zinc/31/70/36/431317036.db2.gz ZEBMGKWTASHLDU-UHFFFAOYSA-N 1 0 315.413 3.055 50 0 DGAARO O=C(NCC[NH+]1CCCCCC1)C1(c2ccc(Cl)cc2)CC1 ZINC000071884715 431306703 /nfs/dbraw/zinc/30/67/03/431306703.db2.gz ISAICUOHMSEIRP-UHFFFAOYSA-N 1 0 320.864 3.364 50 0 DGAARO C[NH+](C)CCCCOc1ccc(I)cc1 ZINC000002823573 431271967 /nfs/dbraw/zinc/27/19/67/431271967.db2.gz NEZIQDRUHHYDPJ-UHFFFAOYSA-N 1 0 319.186 3.012 50 0 DGAARO O=C(c1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006742663 431317427 /nfs/dbraw/zinc/31/74/27/431317427.db2.gz KHPPEYAIXMMUPI-UHFFFAOYSA-N 1 0 324.468 3.413 50 0 DGAARO CC[C@H]1CCc2sc(C(=O)N3CCC[N@H+](C)CC3)cc2C1 ZINC000006726528 431318218 /nfs/dbraw/zinc/31/82/18/431318218.db2.gz WLLJMBWXOJWYFA-ZDUSSCGKSA-N 1 0 306.475 3.041 50 0 DGAARO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)COC)cs2)cc1 ZINC000007004729 431327268 /nfs/dbraw/zinc/32/72/68/431327268.db2.gz JNHXBIFZNYTFSM-LBPRGKRZSA-N 1 0 306.431 3.333 50 0 DGAARO Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1C(C)C ZINC000007030700 431328826 /nfs/dbraw/zinc/32/88/26/431328826.db2.gz DPLLSFBPKSKGFI-INIZCTEOSA-N 1 0 322.416 3.132 50 0 DGAARO O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCCCCC1 ZINC000007064427 431333647 /nfs/dbraw/zinc/33/36/47/431333647.db2.gz QYKJRPBZBQOQDO-MJGOQNOKSA-N 1 0 303.446 3.318 50 0 DGAARO COCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007524944 431352697 /nfs/dbraw/zinc/35/26/97/431352697.db2.gz CPARUPBWXSRPMK-UHFFFAOYSA-N 1 0 310.191 3.445 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(O)cc1 ZINC000008881672 431415955 /nfs/dbraw/zinc/41/59/55/431415955.db2.gz XLUXWQPCVXORJQ-UHFFFAOYSA-N 1 0 324.424 3.308 50 0 DGAARO CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063524 431421321 /nfs/dbraw/zinc/42/13/21/431421321.db2.gz BRTNJRQCMVVIIP-CQSZACIVSA-N 1 0 306.425 3.343 50 0 DGAARO CCC[NH+]1CCC(NC(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000008130709 431382024 /nfs/dbraw/zinc/38/20/24/431382024.db2.gz SGICUEDZSYBKJT-UHFFFAOYSA-N 1 0 324.852 3.018 50 0 DGAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000008328271 431392066 /nfs/dbraw/zinc/39/20/66/431392066.db2.gz SDAWAFPNWRNNSF-DCGLDWPTSA-N 1 0 317.433 3.140 50 0 DGAARO CC[C@H](CO)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000008337139 431394191 /nfs/dbraw/zinc/39/41/91/431394191.db2.gz YQSQFDLICQVDOZ-QGZVFWFLSA-N 1 0 303.377 3.265 50 0 DGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2ccccc2o1 ZINC000008351287 431397175 /nfs/dbraw/zinc/39/71/75/431397175.db2.gz LNYPMKIIOFZSMU-AWEZNQCLSA-N 1 0 300.402 3.427 50 0 DGAARO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1N1CCCC1 ZINC000008720785 431408317 /nfs/dbraw/zinc/40/83/17/431408317.db2.gz CQVIKFCHNYTDPP-INIZCTEOSA-N 1 0 315.461 3.408 50 0 DGAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C ZINC000009942194 431449066 /nfs/dbraw/zinc/44/90/66/431449066.db2.gz VIDKUDPENPACCA-UHFFFAOYSA-N 1 0 314.433 3.298 50 0 DGAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000010213417 431455674 /nfs/dbraw/zinc/45/56/74/431455674.db2.gz HBFJJPKMZAURRK-UHFFFAOYSA-N 1 0 303.450 3.093 50 0 DGAARO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000010277510 431457459 /nfs/dbraw/zinc/45/74/59/431457459.db2.gz MOIBBDCIANKLQA-GDZNZVCISA-N 1 0 302.418 3.385 50 0 DGAARO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000075143215 431458021 /nfs/dbraw/zinc/45/80/21/431458021.db2.gz GVHLKOWQSAITOY-KDOFPFPSSA-N 1 0 315.461 3.059 50 0 DGAARO c1ccc2c(c1)CCO[C@@H]2CSC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000115522893 431458851 /nfs/dbraw/zinc/45/88/51/431458851.db2.gz BBRZBSULANCUTR-OWCLPIDISA-N 1 0 302.443 3.304 50 0 DGAARO Cn1c2ccc(C[NH2+]C3CCCCCCC3)cc2n(C)c1=O ZINC000010434516 431459177 /nfs/dbraw/zinc/45/91/77/431459177.db2.gz LEXDQADUQMWJSV-UHFFFAOYSA-N 1 0 301.434 3.080 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000010383767 431461802 /nfs/dbraw/zinc/46/18/02/431461802.db2.gz CLDPFFQOCOTUIH-ZPLIXLBSSA-N 1 0 321.505 3.455 50 0 DGAARO CC1(C)CC(NC(=O)c2cc(Cl)ccc2O)CC(C)(C)[NH2+]1 ZINC000010815319 431470377 /nfs/dbraw/zinc/47/03/77/431470377.db2.gz BNNLICOKOQCURI-UHFFFAOYSA-N 1 0 310.825 3.085 50 0 DGAARO Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)n1 ZINC000012589452 431518416 /nfs/dbraw/zinc/51/84/16/431518416.db2.gz ATEOYJCUIPXQHM-MRXNPFEDSA-N 1 0 315.461 3.307 50 0 DGAARO Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000012748277 431526473 /nfs/dbraw/zinc/52/64/73/431526473.db2.gz FSWHYKQANXENEM-SFHVURJKSA-N 1 0 314.404 3.475 50 0 DGAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000012796203 431527817 /nfs/dbraw/zinc/52/78/17/431527817.db2.gz GCXFEDYWJNMCGX-STQMWFEESA-N 1 0 302.374 3.356 50 0 DGAARO COc1ccc(OCCSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000012866412 431531429 /nfs/dbraw/zinc/53/14/29/431531429.db2.gz NOZUYOHBQCERAJ-GJZGRUSLSA-N 1 0 306.431 3.078 50 0 DGAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1=CCCCC1 ZINC000012300513 431500695 /nfs/dbraw/zinc/50/06/95/431500695.db2.gz XKZVOEOFXLEESW-IBGZPJMESA-N 1 0 312.457 3.310 50 0 DGAARO Cc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000012348901 431503385 /nfs/dbraw/zinc/50/33/85/431503385.db2.gz RDOSKVKYKDRYLI-HNNXBMFYSA-N 1 0 303.431 3.481 50 0 DGAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCN(c2ncccn2)CC1 ZINC000012383406 431503403 /nfs/dbraw/zinc/50/34/03/431503403.db2.gz VVHWYYZQOIDGPA-QGZVFWFLSA-N 1 0 302.466 3.371 50 0 DGAARO Cc1cc(C)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000012348734 431504709 /nfs/dbraw/zinc/50/47/09/431504709.db2.gz IKVWSTBDURLXKZ-INIZCTEOSA-N 1 0 302.443 3.398 50 0 DGAARO CC[N@H+](Cc1cnn(C)c1)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000012444649 431508623 /nfs/dbraw/zinc/50/86/23/431508623.db2.gz UXHDOMZHUCJEHX-UHFFFAOYSA-N 1 0 323.444 3.449 50 0 DGAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](CCCSC)C2)c1 ZINC000012474615 431509936 /nfs/dbraw/zinc/50/99/36/431509936.db2.gz OMHPTLWAWKLAKV-HNNXBMFYSA-N 1 0 307.459 3.343 50 0 DGAARO CCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000012533675 431513026 /nfs/dbraw/zinc/51/30/26/431513026.db2.gz TTYSVUXZVDIUTF-CYBMUJFWSA-N 1 0 323.868 3.467 50 0 DGAARO O=C(C[NH+]1CCCC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012552793 431515418 /nfs/dbraw/zinc/51/54/18/431515418.db2.gz DDVHSTCVYMEBEZ-UHFFFAOYSA-N 1 0 318.804 3.312 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 ZINC000012945592 431537415 /nfs/dbraw/zinc/53/74/15/431537415.db2.gz TVDNNBUOBUZMJY-XHDPSFHLSA-N 1 0 315.804 3.339 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccsc1 ZINC000013011123 431543283 /nfs/dbraw/zinc/54/32/83/431543283.db2.gz HYLWEXNQXKVCHM-OAHLLOKOSA-N 1 0 322.861 3.363 50 0 DGAARO COc1cc(C)ccc1OCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013153570 431550263 /nfs/dbraw/zinc/55/02/63/431550263.db2.gz REFQRQKUKTWIFL-IYBDPMFKSA-N 1 0 307.434 3.272 50 0 DGAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077484719 431600186 /nfs/dbraw/zinc/60/01/86/431600186.db2.gz YWJJKJJDHHSQDP-FQEVSTJZSA-N 1 0 312.457 3.362 50 0 DGAARO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 ZINC000014186012 431582249 /nfs/dbraw/zinc/58/22/49/431582249.db2.gz PXDLIQKUTGHJHM-CYBMUJFWSA-N 1 0 307.781 3.143 50 0 DGAARO CC[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1ccccc1 ZINC000014200889 431585537 /nfs/dbraw/zinc/58/55/37/431585537.db2.gz IIANMIMNKBUXBP-QGZVFWFLSA-N 1 0 303.377 3.088 50 0 DGAARO Cc1cc(C)c2nc(C)cc(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)c2c1 ZINC000077376154 431588915 /nfs/dbraw/zinc/58/89/15/431588915.db2.gz BORJNDVOFVNSCK-CVEARBPZSA-N 1 0 323.440 3.127 50 0 DGAARO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000077407669 431591335 /nfs/dbraw/zinc/59/13/35/431591335.db2.gz JZOPOOOZSYWUJI-GOSISDBHSA-N 1 0 306.413 3.348 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000025364907 431653370 /nfs/dbraw/zinc/65/33/70/431653370.db2.gz CTTWKDHPDWHEAR-LBPRGKRZSA-N 1 0 314.339 3.396 50 0 DGAARO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)[S@](C)=O ZINC000119145112 431654117 /nfs/dbraw/zinc/65/41/17/431654117.db2.gz YBCJOEIPGUGILT-KSRUKNBBSA-N 1 0 322.243 3.006 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000025364905 431655330 /nfs/dbraw/zinc/65/53/30/431655330.db2.gz CTTWKDHPDWHEAR-GFCCVEGCSA-N 1 0 314.339 3.396 50 0 DGAARO c1cn(-c2ccc(C[NH2+][C@H]3CCOc4ccccc43)cc2)cn1 ZINC000025357550 431655375 /nfs/dbraw/zinc/65/53/75/431655375.db2.gz QLENFUGIZUSWJZ-SFHVURJKSA-N 1 0 305.381 3.486 50 0 DGAARO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCC1 ZINC000007636266 280441844 /nfs/dbraw/zinc/44/18/44/280441844.db2.gz SUFOSZXUSFWEPR-NNGLDNROSA-N 1 0 307.478 3.066 50 0 DGAARO Oc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12 ZINC000022405193 431633293 /nfs/dbraw/zinc/63/32/93/431633293.db2.gz NLEBIHHGSQJBTM-UHFFFAOYSA-N 1 0 305.381 3.267 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccsc1 ZINC000025810428 431666445 /nfs/dbraw/zinc/66/64/45/431666445.db2.gz UJGYAUDYSUBAFK-FDMDGMSGSA-N 1 0 300.427 3.180 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1cccs1)c1ccsc1 ZINC000025810583 431666981 /nfs/dbraw/zinc/66/69/81/431666981.db2.gz VUHOMPZIMQOEPG-VBROQKIQSA-N 1 0 306.456 3.242 50 0 DGAARO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000026180310 431670535 /nfs/dbraw/zinc/67/05/35/431670535.db2.gz KSCVMVFTCVHBKC-CYBMUJFWSA-N 1 0 303.450 3.356 50 0 DGAARO [NH3+]CC[S@](=O)c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000026422239 431675092 /nfs/dbraw/zinc/67/50/92/431675092.db2.gz XXJHHCFFJKWMKZ-OAQYLSRUSA-N 1 0 302.374 3.040 50 0 DGAARO C[C@@H](NCc1ccco1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000078553320 431682620 /nfs/dbraw/zinc/68/26/20/431682620.db2.gz WBCWDGWVYPPERP-CQSZACIVSA-N 1 0 317.408 3.021 50 0 DGAARO COc1ccc(C[NH2+]Cc2cccc(N(C)C)c2)cc1OC ZINC000078552681 431683161 /nfs/dbraw/zinc/68/31/61/431683161.db2.gz BZDQSZWIOZBIBS-UHFFFAOYSA-N 1 0 300.402 3.060 50 0 DGAARO COc1ccc(C[NH2+]CCc2coc(-c3ccccc3)n2)cc1O ZINC000078552447 431683642 /nfs/dbraw/zinc/68/36/42/431683642.db2.gz DQEXVYOIHHDXQP-UHFFFAOYSA-N 1 0 324.380 3.388 50 0 DGAARO C[NH+]1CCC(CC(=O)NCCCSCc2ccccc2)CC1 ZINC000078578478 431685185 /nfs/dbraw/zinc/68/51/85/431685185.db2.gz PYOQVBVNFTZCLZ-UHFFFAOYSA-N 1 0 320.502 3.158 50 0 DGAARO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc2ccccc2c(=O)[nH]1 ZINC000119367328 431685175 /nfs/dbraw/zinc/68/51/75/431685175.db2.gz XYCOUIOVZZIMSZ-AWEZNQCLSA-N 1 0 322.408 3.297 50 0 DGAARO Cc1ccsc1C[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027221322 431687665 /nfs/dbraw/zinc/68/76/65/431687665.db2.gz BRBRIZZOOZQWPJ-LLVKDONJSA-N 1 0 302.399 3.238 50 0 DGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000027582220 431689638 /nfs/dbraw/zinc/68/96/38/431689638.db2.gz KHZBWPAWLTXRRG-OAHLLOKOSA-N 1 0 300.427 3.315 50 0 DGAARO Cc1ccc([C@@H](CNC(=O)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000027989145 431698017 /nfs/dbraw/zinc/69/80/17/431698017.db2.gz BAKDSMIMYVQPMC-HXUWFJFHSA-N 1 0 322.452 3.491 50 0 DGAARO Cc1ncc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000078718646 431699580 /nfs/dbraw/zinc/69/95/80/431699580.db2.gz VGGKARLMAIBWIT-UHFFFAOYSA-N 1 0 321.490 3.370 50 0 DGAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](F)C1 ZINC000078710487 431699705 /nfs/dbraw/zinc/69/97/05/431699705.db2.gz JXBLMDWEOQDVAC-GJZGRUSLSA-N 1 0 308.397 3.124 50 0 DGAARO Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000032688925 431788832 /nfs/dbraw/zinc/78/88/32/431788832.db2.gz DQVJBDGQALFLRS-SFHVURJKSA-N 1 0 314.404 3.475 50 0 DGAARO Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000032688928 431789104 /nfs/dbraw/zinc/78/91/04/431789104.db2.gz DQVJBDGQALFLRS-GOSISDBHSA-N 1 0 314.404 3.475 50 0 DGAARO CC(C)(C)C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038083626 431854846 /nfs/dbraw/zinc/85/48/46/431854846.db2.gz CZMHJJDBNJLLPE-HOCLYGCPSA-N 1 0 309.475 3.188 50 0 DGAARO CC(C)(C)C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038083628 431855417 /nfs/dbraw/zinc/85/54/17/431855417.db2.gz CZMHJJDBNJLLPE-ZBFHGGJFSA-N 1 0 309.475 3.188 50 0 DGAARO CCn1c(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)nc2ccccc21 ZINC000089305491 431863253 /nfs/dbraw/zinc/86/32/53/431863253.db2.gz ZRPOASNAJMAYAD-HNNXBMFYSA-N 1 0 323.444 3.228 50 0 DGAARO C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000089319401 431863534 /nfs/dbraw/zinc/86/35/34/431863534.db2.gz RQTHZGCIUWMYQZ-MSOLQXFVSA-N 1 0 312.388 3.173 50 0 DGAARO COCc1nccc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000089420465 431865785 /nfs/dbraw/zinc/86/57/85/431865785.db2.gz ZRWXHDWOSIXVJO-OAHLLOKOSA-N 1 0 315.392 3.142 50 0 DGAARO C[C@@H](Cc1ccsc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000089594784 431871193 /nfs/dbraw/zinc/87/11/93/431871193.db2.gz RKXTYTMWEAVVBD-INIZCTEOSA-N 1 0 322.518 3.304 50 0 DGAARO CC(C)[NH+]1CCC(NCc2c[nH]nc2-c2cccs2)CC1 ZINC000035052740 431824011 /nfs/dbraw/zinc/82/40/11/431824011.db2.gz DPEDLUIXPMZGRC-UHFFFAOYSA-N 1 0 304.463 3.101 50 0 DGAARO CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000084630714 431830501 /nfs/dbraw/zinc/83/05/01/431830501.db2.gz RTFDVMNZJSLGQK-MRXNPFEDSA-N 1 0 319.449 3.021 50 0 DGAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCCN1CCOCC1 ZINC000084647624 431832070 /nfs/dbraw/zinc/83/20/70/431832070.db2.gz KYFBDHZKAVJFRX-OAHLLOKOSA-N 1 0 302.418 3.148 50 0 DGAARO CCC[N@@H+](Cc1ccccc1F)C[C@H](O)COCc1ccco1 ZINC000036030950 431833165 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Cc1ccc(-c2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)cc1 ZINC000036613421 431839683 /nfs/dbraw/zinc/83/96/83/431839683.db2.gz HQYCDECBBBNBKY-UHFFFAOYSA-N 1 0 324.350 3.444 50 0 DGAARO Cc1ccccc1CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047416445 431910485 /nfs/dbraw/zinc/91/04/85/431910485.db2.gz OWXWYTWJOMLZDQ-IYBDPMFKSA-N 1 0 302.462 3.022 50 0 DGAARO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc2c(c1)OCCO2 ZINC000047697947 431914446 /nfs/dbraw/zinc/91/44/46/431914446.db2.gz VXHWEJMDGODAPO-LBPRGKRZSA-N 1 0 313.353 3.037 50 0 DGAARO FC(F)(F)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000095080926 431921388 /nfs/dbraw/zinc/92/13/88/431921388.db2.gz PDFOHRCWFUKKQA-UHFFFAOYSA-N 1 0 321.346 3.423 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1 ZINC000095348764 431921802 /nfs/dbraw/zinc/92/18/02/431921802.db2.gz HPJAUEMZYLVJLF-GFCCVEGCSA-N 1 0 314.339 3.396 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1 ZINC000095348763 431922218 /nfs/dbraw/zinc/92/22/18/431922218.db2.gz 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UEQFMIRLWHPXCG-LJQANCHMSA-N 1 0 302.462 3.244 50 0 DGAARO C[NH+]1CCC([C@@](O)(c2ccccc2)c2cccc(Cl)n2)CC1 ZINC000002529377 289894408 /nfs/dbraw/zinc/89/44/08/289894408.db2.gz LMPGJYLFIUIRRY-SFHVURJKSA-N 1 0 316.832 3.313 50 0 DGAARO CC(C)COc1ccccc1NC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000299802145 433390492 /nfs/dbraw/zinc/39/04/92/433390492.db2.gz XRRMQSJULMNTMT-OAHLLOKOSA-N 1 0 319.449 3.375 50 0 DGAARO c1coc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCCOC4)cs2)c1 ZINC000341987588 433394839 /nfs/dbraw/zinc/39/48/39/433394839.db2.gz HEUWXJJFNHLUDZ-INIZCTEOSA-N 1 0 304.415 3.406 50 0 DGAARO Cc1nc2ncc(-c3ccc([C@@H](C)[NH+]4CCCC4)cc3)cn2n1 ZINC000426434800 433497745 /nfs/dbraw/zinc/49/77/45/433497745.db2.gz DQACZZMJMYYNCH-CYBMUJFWSA-N 1 0 307.401 3.257 50 0 DGAARO Cc1csc2c1ncnc2N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000192794463 293068670 /nfs/dbraw/zinc/06/86/70/293068670.db2.gz QDZYQUHJFFOMRZ-AWEZNQCLSA-N 1 0 316.474 3.454 50 0 DGAARO COC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000352240373 434003532 /nfs/dbraw/zinc/00/35/32/434003532.db2.gz AALOHYDSDYIWQV-OAHLLOKOSA-N 1 0 304.434 3.025 50 0 DGAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCCCC3)C1 ZINC000129186665 294674084 /nfs/dbraw/zinc/67/40/84/294674084.db2.gz SSEJVMFFPXUXBF-VXGBXAGGSA-N 1 0 316.371 3.215 50 0 DGAARO CCn1nncc1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000417962060 434558286 /nfs/dbraw/zinc/55/82/86/434558286.db2.gz BUPSWAHAOAUNFG-MRXNPFEDSA-N 1 0 300.381 3.163 50 0 DGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCCC4)[C@H]3C=C12 ZINC000012661610 299910747 /nfs/dbraw/zinc/91/07/47/299910747.db2.gz CEOLCSAOVYREMC-DMXPTSQMSA-N 1 0 303.446 3.396 50 0 biogenic DGAARO FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000408519478 434582571 /nfs/dbraw/zinc/58/25/71/434582571.db2.gz CUMBZFVHWVNZOX-UONOGXRCSA-N 1 0 324.419 3.229 50 0 DGAARO COc1ccc([C@@H]([NH2+]CCCc2cncn2C)C(C)C)cc1 ZINC000408523829 434586902 /nfs/dbraw/zinc/58/69/02/434586902.db2.gz NVYZWKSCVYQSCT-SFHVURJKSA-N 1 0 301.434 3.348 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 ZINC000575620943 435037752 /nfs/dbraw/zinc/03/77/52/435037752.db2.gz NDEHOCDMZWGDOQ-SCOAYWHSSA-N 1 0 324.380 3.458 50 0 DGAARO O[C@@]1(c2ccc(F)cc2)C[n+]2ccccc2N1c1ccccc1 ZINC000000239777 304839329 /nfs/dbraw/zinc/83/93/29/304839329.db2.gz YNIASIPVRBNPGJ-LJQANCHMSA-N 1 0 307.348 3.110 50 0 DGAARO CC(C)[N@H+](C)CC(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC000529699482 313256752 /nfs/dbraw/zinc/25/67/52/313256752.db2.gz QWCVNIITHLDZIT-UHFFFAOYSA-N 1 0 306.797 3.009 50 0 DGAARO CC(C)Oc1cccc(CN(C)C(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000097234172 323210644 /nfs/dbraw/zinc/21/06/44/323210644.db2.gz IVPHVFKDEXDCKK-SFHVURJKSA-N 1 0 312.413 3.132 50 0 DGAARO C[C@]1(C(N)=O)CCCCN1Cc1csc(-c2ccsc2)n1 ZINC000185910857 323399314 /nfs/dbraw/zinc/39/93/14/323399314.db2.gz YIEASPZPSSZPTC-OAHLLOKOSA-N 1 0 321.471 3.102 50 0 DGAARO CCCOc1ccccc1C(=O)N1C[C@@H](CCC)[C@H]([NH+](C)C)C1 ZINC000082091172 331989866 /nfs/dbraw/zinc/98/98/66/331989866.db2.gz PWBOQZHXJOSFKP-NVXWUHKLSA-N 1 0 318.461 3.278 50 0 DGAARO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000534642855 334306003 /nfs/dbraw/zinc/30/60/03/334306003.db2.gz CBVZOTSYQBTMAW-AWEZNQCLSA-N 1 0 317.408 3.445 50 0 DGAARO CC[C@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1ccccn1 ZINC000534657430 334314439 /nfs/dbraw/zinc/31/44/39/334314439.db2.gz RQWFTYILWVLCOI-HNNXBMFYSA-N 1 0 301.434 3.058 50 0 DGAARO COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)c1 ZINC000299793731 534220772 /nfs/dbraw/zinc/22/07/72/534220772.db2.gz HSCZYUMDPPLYGP-ZDUSSCGKSA-N 1 0 319.788 3.286 50 0 DGAARO C/C=C1\C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(O)cc21 ZINC000045302606 518556575 /nfs/dbraw/zinc/55/65/75/518556575.db2.gz VBKQRUUVDAWDIP-BUOMXOLISA-N 1 0 310.397 3.014 50 0 DGAARO Brc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250010415 526639539 /nfs/dbraw/zinc/63/95/39/526639539.db2.gz VTYAERNNICBBRO-HNNXBMFYSA-N 1 0 309.251 3.119 50 0 DGAARO FC(F)(F)CN1CCC[N@H+](CCOC2CCCCCC2)CC1 ZINC000077318284 545740010 /nfs/dbraw/zinc/74/00/10/545740010.db2.gz ZAMZARZZKVCKRX-UHFFFAOYSA-N 1 0 322.415 3.296 50 0 DGAARO Clc1ccc(NCC2([NH+]3CCCCC3)CCOCC2)nc1 ZINC000081000962 545766942 /nfs/dbraw/zinc/76/69/42/545766942.db2.gz VGPSKFQRZFWKJT-UHFFFAOYSA-N 1 0 309.841 3.182 50 0 DGAARO Cc1ccc(C[NH2+]Cc2cccnc2)c(OC[C@H]2CCOC2)c1 ZINC000084146320 545784006 /nfs/dbraw/zinc/78/40/06/545784006.db2.gz FIHCTHZGEVFQGS-KRWDZBQOSA-N 1 0 312.413 3.095 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1nc2cc(Cl)ccc2n1C ZINC000091281826 545834375 /nfs/dbraw/zinc/83/43/75/545834375.db2.gz HMLJDISJCQPMRC-QMTHXVAHSA-N 1 0 319.792 3.204 50 0 DGAARO O[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Br)c1ccco1 ZINC000091281848 545834776 /nfs/dbraw/zinc/83/47/76/545834776.db2.gz KTPOAYVGIVDAGN-KGLIPLIRSA-N 1 0 322.202 3.353 50 0 DGAARO CN(Cc1nc2ccccc2n1C)Cc1ccc2c(c1)CCO2 ZINC000177203365 546120543 /nfs/dbraw/zinc/12/05/43/546120543.db2.gz BYMNRVSDQFMBPZ-UHFFFAOYSA-N 1 0 307.397 3.140 50 0 DGAARO CC(C)COC1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000191955178 546228262 /nfs/dbraw/zinc/22/82/62/546228262.db2.gz SFMJYWMDRGTBNL-SFHVURJKSA-N 1 0 316.445 3.077 50 0 DGAARO COc1ccc(-c2ccc(CN(C)C[C@H]3CCC[N@@H+]3C)o2)cc1 ZINC000215151604 546261483 /nfs/dbraw/zinc/26/14/83/546261483.db2.gz WTYALFYADAVYAN-MRXNPFEDSA-N 1 0 314.429 3.481 50 0 DGAARO Cc1nc(C)c(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)o1 ZINC000585118412 547025197 /nfs/dbraw/zinc/02/51/97/547025197.db2.gz NMRZTUYLAAMLIA-UHFFFAOYSA-N 1 0 313.445 3.218 50 0 DGAARO Cc1ccc(F)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1Cl ZINC000670438317 547754938 /nfs/dbraw/zinc/75/49/38/547754938.db2.gz LZKSNTNAYMMVJT-ZDUSSCGKSA-N 1 0 324.827 3.488 50 0 DGAARO CC1(C)C[C@@]1(CNC(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC000670448658 547755720 /nfs/dbraw/zinc/75/57/20/547755720.db2.gz BKMMSYGKCSHZIU-HXUWFJFHSA-N 1 0 314.473 3.347 50 0 DGAARO COc1cccc(N2CC[N@@H+]([C@@H]3CCSC3)CC2(C)C)c1 ZINC000670456240 547756525 /nfs/dbraw/zinc/75/65/25/547756525.db2.gz ZRYHSUOULSIBDU-OAHLLOKOSA-N 1 0 306.475 3.101 50 0 DGAARO Cc1cc(C)cc(N2CCC([NH2+]C[C@]3(C)CCCO3)CC2)c1 ZINC000670456272 547757156 /nfs/dbraw/zinc/75/71/56/547757156.db2.gz SJXMKKLHDJKDBA-IBGZPJMESA-N 1 0 302.462 3.431 50 0 DGAARO Cc1cc(C)cc(N2CCC([NH2+]C[C@@]3(C)CCCO3)CC2)c1 ZINC000670456273 547757197 /nfs/dbraw/zinc/75/71/97/547757197.db2.gz SJXMKKLHDJKDBA-LJQANCHMSA-N 1 0 302.462 3.431 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccccc1-n1cccn1 ZINC000675743727 548264114 /nfs/dbraw/zinc/26/41/14/548264114.db2.gz OMYDYFJXZBOCKK-OAHLLOKOSA-N 1 0 321.428 3.184 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000170048415 563902949 /nfs/dbraw/zinc/90/29/49/563902949.db2.gz FTPHZCHLZJFGQU-VHSXEESVSA-N 1 0 318.314 3.044 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000299749780 563938778 /nfs/dbraw/zinc/93/87/78/563938778.db2.gz LMGODGVIRHFSGI-DDWPSWQVSA-N 1 0 306.837 3.172 50 0 DGAARO CC[C@H]1C[N@H+](CC2Cc3ccccc3C2)CCN1CC(F)F ZINC000585085007 574817736 /nfs/dbraw/zinc/81/77/36/574817736.db2.gz MXWRDRUPKJBDMC-KRWDZBQOSA-N 1 0 308.416 3.063 50 0 DGAARO c1cc(-c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)cc2c1OCC2 ZINC000874435589 620715344 /nfs/dbraw/zinc/71/53/44/620715344.db2.gz YTBYKKFUGORYFC-OAHLLOKOSA-N 1 0 311.385 3.361 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cnc(Cl)n1C ZINC000888098315 618625442 /nfs/dbraw/zinc/62/54/42/618625442.db2.gz GEQQLRBSZJILSQ-OCCSQVGLSA-N 1 0 322.840 3.154 50 0 DGAARO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000863983655 621724679 /nfs/dbraw/zinc/72/46/79/621724679.db2.gz LBPAVEAIDKGEER-VYDXJSESSA-N 1 0 309.450 3.023 50 0 DGAARO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000863983652 621724871 /nfs/dbraw/zinc/72/48/71/621724871.db2.gz LBPAVEAIDKGEER-BFYDXBDKSA-N 1 0 309.450 3.023 50 0 DGAARO CC(C)Cn1cc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cn1 ZINC000185116744 660202680 /nfs/dbraw/zinc/20/26/80/660202680.db2.gz OWJFYYBZXAQVOC-KRWDZBQOSA-N 1 0 321.852 3.190 50 0 DGAARO CC(C)Cn1cc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cn1 ZINC000185116758 660202729 /nfs/dbraw/zinc/20/27/29/660202729.db2.gz OWJFYYBZXAQVOC-QGZVFWFLSA-N 1 0 321.852 3.190 50 0 DGAARO C/C=C(\C)C[NH+]1CCC(CO)(Cc2ccc(OC)cc2)CC1 ZINC000011840854 660478312 /nfs/dbraw/zinc/47/83/12/660478312.db2.gz UIBQWAVRTZDOFD-AYSLTRBKSA-N 1 0 303.446 3.278 50 0 DGAARO Cc1cccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000011661820 660496448 /nfs/dbraw/zinc/49/64/48/660496448.db2.gz QHXFDCZRQOPDSJ-GOSISDBHSA-N 1 0 323.440 3.127 50 0 DGAARO COCCNC(=O)CCC1CC[NH+](CCCC2CCCC2)CC1 ZINC000012583577 660512121 /nfs/dbraw/zinc/51/21/21/660512121.db2.gz PCBYGQHJFHMQFN-UHFFFAOYSA-N 1 0 324.509 3.212 50 0 DGAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ncc[nH]4)C3)C2)c1 ZINC000012306541 660527274 /nfs/dbraw/zinc/52/72/74/660527274.db2.gz JBJRUIPYTDFXIC-FQEVSTJZSA-N 1 0 324.472 3.206 50 0 DGAARO O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1=CCCCC1 ZINC000012612698 660958301 /nfs/dbraw/zinc/95/83/01/660958301.db2.gz IMSBTPYGXKNHSQ-LJQANCHMSA-N 1 0 324.468 3.235 50 0 DGAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3ccc(C)o3)C2)c1 ZINC000022851232 655754641 /nfs/dbraw/zinc/75/46/41/655754641.db2.gz VAYGGWJBXQHONV-KRWDZBQOSA-N 1 0 314.429 3.351 50 0 DGAARO CC(C)=CCC[C@H](C)[N@H+]1CCC(=O)N(Cc2ccccn2)CC1 ZINC000023214514 655805299 /nfs/dbraw/zinc/80/52/99/655805299.db2.gz JJWUVQTYBBXJLQ-KRWDZBQOSA-N 1 0 315.461 3.251 50 0 DGAARO CCNc1ncc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)s1 ZINC000177162910 655915775 /nfs/dbraw/zinc/91/57/75/655915775.db2.gz GHMXWIUKSJLQKJ-UHFFFAOYSA-N 1 0 318.446 3.197 50 0 DGAARO Clc1ccc(OC2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000019794872 656066251 /nfs/dbraw/zinc/06/62/51/656066251.db2.gz XVJRZESWFVRSMI-UHFFFAOYSA-N 1 0 305.809 3.080 50 0 DGAARO C[C@@H](C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1)n1cnc2ccccc21 ZINC000020539048 656072169 /nfs/dbraw/zinc/07/21/69/656072169.db2.gz MZNUFSDPRSYSQX-DLBZAZTESA-N 1 0 323.444 3.206 50 0 DGAARO CN(CC(=O)N[C@H]1CCCc2c(O)cccc21)Cc1ccccc1 ZINC000190209479 656159547 /nfs/dbraw/zinc/15/95/47/656159547.db2.gz XZHZZSGOSSFHJR-SFHVURJKSA-N 1 0 324.424 3.018 50 0 DGAARO CC(C)C[N@@H+]1CCOc2ccc([C@H](O)c3ccncc3)cc2C1 ZINC000299762841 656224677 /nfs/dbraw/zinc/22/46/77/656224677.db2.gz BQIKISSBFVMUCQ-LJQANCHMSA-N 1 0 312.413 3.014 50 0 DGAARO c1cn(CC2CC[NH+](CCCn3cnc4ccccc43)CC2)cn1 ZINC000019837882 658685897 /nfs/dbraw/zinc/68/58/97/658685897.db2.gz SMBKUMSYEYIZOR-UHFFFAOYSA-N 1 0 323.444 3.035 50 0 DGAARO Fc1ccccc1-c1n[nH]c2c1C[N@@H+]([C@H]1CCSC1)CC2 ZINC000020773956 658721739 /nfs/dbraw/zinc/72/17/39/658721739.db2.gz QQBKYSAASMGHAF-NSHDSACASA-N 1 0 303.406 3.079 50 0 DGAARO CCOC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180258485 659957625 /nfs/dbraw/zinc/95/76/25/659957625.db2.gz LYGLEJCTQLZLDN-MRXNPFEDSA-N 1 0 313.445 3.336 50 0 DGAARO CO[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000076343668 661978798 /nfs/dbraw/zinc/97/87/98/661978798.db2.gz OCYLJAXQCNBPPT-LBPRGKRZSA-N 1 0 303.324 3.195 50 0 DGAARO CO[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000076343667 661978821 /nfs/dbraw/zinc/97/88/21/661978821.db2.gz OCYLJAXQCNBPPT-GFCCVEGCSA-N 1 0 303.324 3.195 50 0 DGAARO COC(=O)C(C)(C)[C@H]([NH2+]C1CCC(OC)CC1)c1ccccc1 ZINC000952965161 662208799 /nfs/dbraw/zinc/20/87/99/662208799.db2.gz ZISFIDVNCPSJCO-OFLPRAFFSA-N 1 0 319.445 3.474 50 0 DGAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000952966554 662208852 /nfs/dbraw/zinc/20/88/52/662208852.db2.gz KFYRPEFRQPEZJC-UHFFFAOYSA-N 1 0 302.403 3.109 50 0 DGAARO [NH3+]C1(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)CCCC1 ZINC000952973965 662209228 /nfs/dbraw/zinc/20/92/28/662209228.db2.gz VUPYYKAGGMSUGG-UHFFFAOYSA-N 1 0 324.428 3.045 50 0 DGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(C(F)F)[nH]n1 ZINC000952972098 662209460 /nfs/dbraw/zinc/20/94/60/662209460.db2.gz MLOGCYOJQWXEHB-UHFFFAOYSA-N 1 0 320.343 3.195 50 0 DGAARO CCOc1ccc(CCCNC(=O)[C@@H]2CCCCC[N@@H+]2C)cc1 ZINC000952978679 662209707 /nfs/dbraw/zinc/20/97/07/662209707.db2.gz RZDJYLFWLOCELL-SFHVURJKSA-N 1 0 318.461 3.009 50 0 DGAARO CC(=O)Nc1ccc(C)cc1NC(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000952979756 662209956 /nfs/dbraw/zinc/20/99/56/662209956.db2.gz ZOSAQWNIZATTEL-HNNXBMFYSA-N 1 0 317.433 3.014 50 0 DGAARO O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000952989381 662210790 /nfs/dbraw/zinc/21/07/90/662210790.db2.gz QGUCYYXHFANERF-QGZVFWFLSA-N 1 0 322.408 3.111 50 0 DGAARO CC(C)c1cccc(NC(=O)C2CC3(C2)C[C@@H]([NH3+])CCO3)c1 ZINC000952994251 662210898 /nfs/dbraw/zinc/21/08/98/662210898.db2.gz NNVWTHHWDPUDMK-CSLYMUCUSA-N 1 0 302.418 3.035 50 0 DGAARO Cn1nc2c(c1-c1cc(F)cc(Cn3ccnc3)c1)CCCC2 ZINC000952994430 662210980 /nfs/dbraw/zinc/21/09/80/662210980.db2.gz UXTRLDLHLPLOMH-UHFFFAOYSA-N 1 0 310.376 3.350 50 0 DGAARO Cn1cc([C@@H]2CCC[N@@H+]2CC2([C@@H]3CCCCO3)CCC2)cn1 ZINC000952994478 662210998 /nfs/dbraw/zinc/21/09/98/662210998.db2.gz PRAQFVWQQJTZQK-IRXDYDNUSA-N 1 0 303.450 3.296 50 0 DGAARO COc1ccc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)c(F)c1 ZINC000089578770 662245228 /nfs/dbraw/zinc/24/52/28/662245228.db2.gz LMELXKGZVUNVKL-NSHDSACASA-N 1 0 307.369 3.234 50 0 DGAARO Cc1cc2c(c(-c3n[nH]c(C4CCCCC4)n3)c1)O[C@@H](C[NH3+])C2 ZINC000067789833 685056734 /nfs/dbraw/zinc/05/67/34/685056734.db2.gz APFHUVJUFWKBLJ-CQSZACIVSA-N 1 0 312.417 3.090 50 0 DGAARO C[NH+](C)C1(CNCc2cnc(-c3ccccc3)nc2)CCCCC1 ZINC000069667226 685057565 /nfs/dbraw/zinc/05/75/65/685057565.db2.gz OXTXPVLDELUDMQ-UHFFFAOYSA-N 1 0 324.472 3.498 50 0 DGAARO Cc1nc(CN2CCC(C[NH2+][C@H]3CCC3(C)C)CC2)cs1 ZINC000342725717 685132969 /nfs/dbraw/zinc/13/29/69/685132969.db2.gz HBGFTTJHKJTOIH-INIZCTEOSA-N 1 0 307.507 3.442 50 0 DGAARO OC[C@@]12C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]1COCC2 ZINC001772708885 1176674952 /nfs/dbraw/zinc/67/49/52/1176674952.db2.gz CWZXGVBWGPHFEL-NHCUHLMSSA-N 1 0 323.436 3.184 50 0 DGAARO CCn1cncc1CN(C)Cc1ccccc1C[NH+]1CCCC1 ZINC001506405826 1186222789 /nfs/dbraw/zinc/22/27/89/1186222789.db2.gz WYRIERHYYINIJM-UHFFFAOYSA-N 1 0 312.461 3.131 50 0 DGAARO COc1cc(CC[NH2+][C@H](C)CN2CCCCCC2)cc(OC)c1 ZINC001506403371 1186223550 /nfs/dbraw/zinc/22/35/50/1186223550.db2.gz OHIUMYZRXUNKGT-MRXNPFEDSA-N 1 0 320.477 3.100 50 0 DGAARO CCN1CC[N@H+](Cc2ccc(C3CCCC3)s2)CCC1=O ZINC001506411172 1186224029 /nfs/dbraw/zinc/22/40/29/1186224029.db2.gz ZLVFGJQENSPCDN-UHFFFAOYSA-N 1 0 306.475 3.460 50 0 DGAARO Fc1cccnc1NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC001506426834 1186226266 /nfs/dbraw/zinc/22/62/66/1186226266.db2.gz QBODWSXOCIAYEQ-MRXNPFEDSA-N 1 0 300.381 3.255 50 0 DGAARO COCCC1CC[NH+](Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 ZINC001506429667 1186227891 /nfs/dbraw/zinc/22/78/91/1186227891.db2.gz VVZRXTGVKKWPJF-UHFFFAOYSA-N 1 0 318.392 3.328 50 0 DGAARO Cc1cnc(NCC2([NH+]3CCCCC3)CCCC2)nc1N(C)C ZINC001529091075 1187531338 /nfs/dbraw/zinc/53/13/38/1187531338.db2.gz NSLGRINWARRZBV-UHFFFAOYSA-N 1 0 317.481 3.062 50 0 DGAARO CN(C(=O)c1ccc(F)cc1F)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529152655 1187536455 /nfs/dbraw/zinc/53/64/55/1187536455.db2.gz NJAIPAODVFZAJJ-CUFDPUGPSA-N 1 0 322.399 3.156 50 0 DGAARO Cc1cccc(Cl)c1C[N@@H+](C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 ZINC001704299900 1202519474 /nfs/dbraw/zinc/51/94/74/1202519474.db2.gz UVUWPKDPPWDKIX-QLFBSQMISA-N 1 0 320.864 3.337 50 0 DGAARO O[C@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1Cc1ccncc1 ZINC001704304419 1202519747 /nfs/dbraw/zinc/51/97/47/1202519747.db2.gz NKRBGMAGXSOIJH-MOPGFXCFSA-N 1 0 302.462 3.277 50 0 DGAARO Cc1nc(CN(CCO)Cc2cc(Cl)cc(Cl)c2)c[nH]1 ZINC001704309968 1202519975 /nfs/dbraw/zinc/51/99/75/1202519975.db2.gz UIKQCADWMXNTCS-UHFFFAOYSA-N 1 0 314.216 3.019 50 0 DGAARO Cc1cc(C[NH+]2CCC3(CC2)C[C@@](C)(O)CCO3)ccc1F ZINC001704315871 1202520495 /nfs/dbraw/zinc/52/04/95/1202520495.db2.gz PVRUNXNSLXHTKB-KRWDZBQOSA-N 1 0 307.409 3.030 50 0 DGAARO c1ccc(OCC[NH+]2CCC(OCc3ccccn3)CC2)cc1 ZINC001704356218 1202522963 /nfs/dbraw/zinc/52/29/63/1202522963.db2.gz DONQNERTWVDBFN-UHFFFAOYSA-N 1 0 312.413 3.142 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)CC(C)C)CC1 ZINC000581807983 1083035903 /nfs/dbraw/zinc/03/59/03/1083035903.db2.gz IUOXQGPMKAENCZ-UHFFFAOYSA-N 1 0 303.450 3.354 50 0 DGAARO c1cnn(Cc2cccc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)c2)c1 ZINC000820414920 1091625257 /nfs/dbraw/zinc/62/52/57/1091625257.db2.gz COWDLNFAKPNJJF-SFHVURJKSA-N 1 0 321.428 3.034 50 0 DGAARO CC[C@H](Cc1ccco1)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000822620680 1091666056 /nfs/dbraw/zinc/66/60/56/1091666056.db2.gz VWGKYIIEJKZWNH-GFCCVEGCSA-N 1 0 314.414 3.304 50 0 DGAARO COc1ccc2c(c1)C=C(C[N@H+](C)CCC[C@@H]1CCCO1)CO2 ZINC000824751015 1091724606 /nfs/dbraw/zinc/72/46/06/1091724606.db2.gz KGFDUKAOVHIZPV-QGZVFWFLSA-N 1 0 317.429 3.362 50 0 DGAARO COc1ccc2c(c1)C=C(C[N@H+](C)CCC[C@H]1CCCO1)CO2 ZINC000824751014 1091725313 /nfs/dbraw/zinc/72/53/13/1091725313.db2.gz KGFDUKAOVHIZPV-KRWDZBQOSA-N 1 0 317.429 3.362 50 0 DGAARO COc1cccc(C)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000824792733 1091726543 /nfs/dbraw/zinc/72/65/43/1091726543.db2.gz WKXHXYPJQDNHAM-UHFFFAOYSA-N 1 0 304.434 3.043 50 0 DGAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000826584127 1091755031 /nfs/dbraw/zinc/75/50/31/1091755031.db2.gz BAHUTZSGOCUIQD-SFHVURJKSA-N 1 0 316.420 3.316 50 0 DGAARO O=C(NCCCc1ccccc1F)C1([NH+]2CCCC2)CCCC1 ZINC000827661345 1091776367 /nfs/dbraw/zinc/77/63/67/1091776367.db2.gz RYVDEUINBRGCMP-UHFFFAOYSA-N 1 0 318.436 3.283 50 0 DGAARO CC(C)n1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000828206281 1091818620 /nfs/dbraw/zinc/81/86/20/1091818620.db2.gz DLXRDGKNCNXDGX-UHFFFAOYSA-N 1 0 312.417 3.312 50 0 DGAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000575550586 1092048514 /nfs/dbraw/zinc/04/85/14/1092048514.db2.gz WQQKOFLQMUPTEB-UHFFFAOYSA-N 1 0 318.465 3.254 50 0 DGAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000581806840 1092280523 /nfs/dbraw/zinc/28/05/23/1092280523.db2.gz AQEZJHXWCFDNLO-HNNXBMFYSA-N 1 0 322.412 3.459 50 0 DGAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)C2CCCCC2)CC1 ZINC000581808470 1092280551 /nfs/dbraw/zinc/28/05/51/1092280551.db2.gz SFFISPRGPSZOQA-UHFFFAOYSA-N 1 0 303.450 3.319 50 0 DGAARO CCN(CC)C(=O)N1CCC[C@@H](Cn2c(C)c[nH+]c2C2CC2)C1 ZINC000581806997 1092280924 /nfs/dbraw/zinc/28/09/24/1092280924.db2.gz GXDYXPCBVOWXGX-OAHLLOKOSA-N 1 0 318.465 3.243 50 0 DGAARO CC(C)c1ncncc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000585133586 1095034615 /nfs/dbraw/zinc/03/46/15/1095034615.db2.gz MQOMKLPNQVPATK-UHFFFAOYSA-N 1 0 323.400 3.379 50 0 DGAARO CC1(c2ccc(F)cc2)CC([NH2+][C@H]2CCC(=O)NC23CCC3)C1 ZINC000952845146 1096778766 /nfs/dbraw/zinc/77/87/66/1096778766.db2.gz AXOATHLAYNTTCB-PQUAAJSLSA-N 1 0 316.420 3.037 50 0 DGAARO CC(C)C1=NO[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000952868129 1096782277 /nfs/dbraw/zinc/78/22/77/1096782277.db2.gz BVZFBMISFFSBSB-QGZVFWFLSA-N 1 0 315.417 3.022 50 0 DGAARO CN(C)c1ccc(Cl)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000952873550 1096784069 /nfs/dbraw/zinc/78/40/69/1096784069.db2.gz LMAGJIYTVYDGNK-UHFFFAOYSA-N 1 0 309.841 3.221 50 0 DGAARO Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CCCC2)cc1F ZINC000095510199 185376168 /nfs/dbraw/zinc/37/61/68/185376168.db2.gz GAHHCJZIYUUVOQ-UHFFFAOYSA-N 1 0 307.413 3.472 50 0 DGAARO CCN(CC[NH+]1CCCCCC1)c1nc2c(s1)c(C)nn2C ZINC000095517993 185376856 /nfs/dbraw/zinc/37/68/56/185376856.db2.gz IVFKVNJBLSQCEB-UHFFFAOYSA-N 1 0 321.494 3.041 50 0 DGAARO FC(F)(F)c1cc([C@H]2CCC[N@H+](CCOCC3CC3)C2)[nH]n1 ZINC000078900980 185125932 /nfs/dbraw/zinc/12/59/32/185125932.db2.gz NRAJCDXOLKFZPB-LBPRGKRZSA-N 1 0 317.355 3.035 50 0 DGAARO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000078979912 185139820 /nfs/dbraw/zinc/13/98/20/185139820.db2.gz ICNWXGBNWPWXEV-HNNXBMFYSA-N 1 0 317.820 3.112 50 0 DGAARO C[NH+](C)Cc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000079361417 185167135 /nfs/dbraw/zinc/16/71/35/185167135.db2.gz HGCZDSSGWNFWEB-LJQANCHMSA-N 1 0 324.424 3.391 50 0 DGAARO Cc1csc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000088755436 185264127 /nfs/dbraw/zinc/26/41/27/185264127.db2.gz OXPZPJUUNDYPBP-LLVKDONJSA-N 1 0 309.385 3.098 50 0 DGAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1C ZINC000089948810 185270703 /nfs/dbraw/zinc/27/07/03/185270703.db2.gz ANJFSDCCNSLWOK-HKUYNNGSSA-N 1 0 302.462 3.348 50 0 DGAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000089948851 185270817 /nfs/dbraw/zinc/27/08/17/185270817.db2.gz JJAHZZOMSOGPDC-CXAGYDPISA-N 1 0 318.392 3.309 50 0 DGAARO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)CCC2 ZINC000090534092 185301330 /nfs/dbraw/zinc/30/13/30/185301330.db2.gz XHLYUMYGRUSXFL-GWCFXTLKSA-N 1 0 304.463 3.335 50 0 DGAARO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000090454412 185297295 /nfs/dbraw/zinc/29/72/95/185297295.db2.gz LUZUOVSQVPIZKZ-GUYCJALGSA-N 1 0 321.428 3.112 50 0 DGAARO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000090591995 185305777 /nfs/dbraw/zinc/30/57/77/185305777.db2.gz KEBNSYZITHNRKC-ZYHUDNBSSA-N 1 0 318.339 3.046 50 0 DGAARO c1ccc(CCCN2CCCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000082099189 192355142 /nfs/dbraw/zinc/35/51/42/192355142.db2.gz RXTMJVQCAUFTNE-HXUWFJFHSA-N 1 0 316.489 3.242 50 0 DGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082120040 192357513 /nfs/dbraw/zinc/35/75/13/192357513.db2.gz ROSNVDJHKYPWQL-MRXNPFEDSA-N 1 0 314.433 3.278 50 0 DGAARO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCSC2)s1 ZINC000092766497 185338955 /nfs/dbraw/zinc/33/89/55/185338955.db2.gz SAVDODUXVKAUEW-PWSUYJOCSA-N 1 0 300.493 3.187 50 0 DGAARO CCC[C@@H]1C[N@H+](CCCC(=O)c2ccc(F)cc2)C[C@H]1N(C)C ZINC000082148081 192361608 /nfs/dbraw/zinc/36/16/08/192361608.db2.gz KJIQLNYLJMSBRV-SJLPKXTDSA-N 1 0 320.452 3.451 50 0 DGAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415556 185358835 /nfs/dbraw/zinc/35/88/35/185358835.db2.gz WIBXKNPTIGWJMP-HZPDHXFCSA-N 1 0 300.427 3.159 50 0 DGAARO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)C(C)(C)O1 ZINC000095420166 185359997 /nfs/dbraw/zinc/35/99/97/185359997.db2.gz ZKJRDJNNLWKQFL-QGZVFWFLSA-N 1 0 313.445 3.367 50 0 DGAARO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC000095420513 185360119 /nfs/dbraw/zinc/36/01/19/185360119.db2.gz STLKUDJDLBPOJR-RYUDHWBXSA-N 1 0 304.356 3.377 50 0 DGAARO COc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000095419747 185360123 /nfs/dbraw/zinc/36/01/23/185360123.db2.gz NXBGJBMPCOUXPW-MSOLQXFVSA-N 1 0 301.361 3.145 50 0 DGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000095423641 185361306 /nfs/dbraw/zinc/36/13/06/185361306.db2.gz WZICMJLRVJXJHW-BSGIZYOKSA-N 1 0 301.496 3.002 50 0 DGAARO Cc1csc(C(C)(C)[NH2+]C[C@H](O)COc2cccc(C)c2)n1 ZINC000095431991 185363559 /nfs/dbraw/zinc/36/35/59/185363559.db2.gz GOKOZUOZEWELDJ-AWEZNQCLSA-N 1 0 320.458 3.025 50 0 DGAARO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1CCOCC1 ZINC000095422240 185360650 /nfs/dbraw/zinc/36/06/50/185360650.db2.gz VVZXSJFBNLFVNB-LJQANCHMSA-N 1 0 324.424 3.005 50 0 DGAARO O=C1[C@@H]([NH2+]Cc2cccnc2)CCCN1c1ccccc1Cl ZINC000097009642 185396725 /nfs/dbraw/zinc/39/67/25/185396725.db2.gz ABEYOIHZMQUUTD-HNNXBMFYSA-N 1 0 315.804 3.020 50 0 DGAARO Cc1cnc([C@@H](NC2CC[NH+](CC3CC3)CC2)C2CC2)s1 ZINC000095423340 185361083 /nfs/dbraw/zinc/36/10/83/185361083.db2.gz SXGCRXSKDWQYOJ-INIZCTEOSA-N 1 0 305.491 3.367 50 0 DGAARO Cc1cccn2c(C[NH2+][C@H](C)C[C@H](O)c3cccs3)cnc12 ZINC000095448916 185368536 /nfs/dbraw/zinc/36/85/36/185368536.db2.gz ZNFYZMLMVXJKMT-HIFRSBDPSA-N 1 0 315.442 3.306 50 0 DGAARO CCc1ccc2c(Cl)c(C(=O)N3CC[C@H]([NH3+])C3)sc2c1 ZINC000097019573 185398050 /nfs/dbraw/zinc/39/80/50/185398050.db2.gz XSMDTRLODNOCQZ-JTQLQIEISA-N 1 0 308.834 3.290 50 0 DGAARO CCc1csc([C@H]2CCCN(C(=O)C3([NH3+])CCCCC3)C2)n1 ZINC000097019887 185398322 /nfs/dbraw/zinc/39/83/22/185398322.db2.gz CAHGWXMITPWBFM-ZDUSSCGKSA-N 1 0 321.490 3.073 50 0 DGAARO OC[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)Cc1ccccn1 ZINC000097033382 185399587 /nfs/dbraw/zinc/39/95/87/185399587.db2.gz MOTLNXHLNAOIFQ-LIRRHRJNSA-N 1 0 314.404 3.039 50 0 DGAARO CCOC(=O)N1CCC(Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000097032817 185399786 /nfs/dbraw/zinc/39/97/86/185399786.db2.gz MHGKMKHYVNBYJF-UHFFFAOYSA-N 1 0 319.449 3.089 50 0 DGAARO OC[C@@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)Cc1ccccn1 ZINC000097033383 185399854 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CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1C(C)C ZINC000019745052 182142421 /nfs/dbraw/zinc/14/24/21/182142421.db2.gz PAMMFJLMVDVWQP-MSOLQXFVSA-N 1 0 323.525 3.065 50 0 DGAARO COc1cccc(CN2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000019842127 182155814 /nfs/dbraw/zinc/15/58/14/182155814.db2.gz LZJMKUQXFWCVNF-UHFFFAOYSA-N 1 0 324.468 3.446 50 0 DGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCC3)C2=O)cc1Cl ZINC000019891214 182160725 /nfs/dbraw/zinc/16/07/25/182160725.db2.gz WEYCTZPXRCUNET-HNNXBMFYSA-N 1 0 320.820 3.203 50 0 DGAARO Fc1ccc(Br)cc1C[NH2+]CCCOCC1CC1 ZINC000020190184 182195446 /nfs/dbraw/zinc/19/54/46/182195446.db2.gz JKOKMBDSALDFRB-UHFFFAOYSA-N 1 0 316.214 3.495 50 0 DGAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccnc3)cc2)C1 ZINC000020493538 182224500 /nfs/dbraw/zinc/22/45/00/182224500.db2.gz YEJNYMQQUFWTJW-MRXNPFEDSA-N 1 0 323.440 3.244 50 0 DGAARO COc1ccc([C@@H](CNC(=O)c2sccc2C)[NH+](C)C)cc1 ZINC000022414223 182320998 /nfs/dbraw/zinc/32/09/98/182320998.db2.gz UPFSSJQFYGTSKQ-OAHLLOKOSA-N 1 0 318.442 3.098 50 0 DGAARO COc1ccccc1[C@H](CNC(=O)C1CCCC1)[NH+]1CCCC1 ZINC000022679836 182330139 /nfs/dbraw/zinc/33/01/39/182330139.db2.gz CKBKXHYTMZOXLP-KRWDZBQOSA-N 1 0 316.445 3.139 50 0 DGAARO COc1cc(C[NH2+][C@H](C)c2ccccc2OC)cc2c1OCO2 ZINC000022779961 182333760 /nfs/dbraw/zinc/33/37/60/182333760.db2.gz JTUABDFWWFIACJ-GFCCVEGCSA-N 1 0 315.369 3.283 50 0 DGAARO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccnc1 ZINC000022792736 182334854 /nfs/dbraw/zinc/33/48/54/182334854.db2.gz BBKMLEHXXPKAOY-NSHDSACASA-N 1 0 304.777 3.357 50 0 DGAARO Cc1cccc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000023105572 182347430 /nfs/dbraw/zinc/34/74/30/182347430.db2.gz KUWCOKQHAPZWFN-HNNXBMFYSA-N 1 0 302.443 3.018 50 0 DGAARO Cc1cccc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000023127976 182349567 /nfs/dbraw/zinc/34/95/67/182349567.db2.gz MLTAJYHGDQQJJG-UHFFFAOYSA-N 1 0 300.446 3.379 50 0 DGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2CCO)cc1 ZINC000023359352 182358776 /nfs/dbraw/zinc/35/87/76/182358776.db2.gz 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/nfs/dbraw/zinc/03/63/79/183036379.db2.gz USLIWNFTHRLLND-RYUDHWBXSA-N 1 0 312.816 3.187 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000040107595 183036619 /nfs/dbraw/zinc/03/66/19/183036619.db2.gz AIZIHTVOFCCXMT-VXGBXAGGSA-N 1 0 312.816 3.187 50 0 DGAARO CC(C)(C)c1cn2nc(NC3CC[NH+](C4CC4)CC3)sc2n1 ZINC000040493218 183080500 /nfs/dbraw/zinc/08/05/00/183080500.db2.gz AEGKXTDKUBZHEN-UHFFFAOYSA-N 1 0 319.478 3.127 50 0 DGAARO O=C(c1cc(Cl)c[nH]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000041363660 183186957 /nfs/dbraw/zinc/18/69/57/183186957.db2.gz RKZBMONEASLLGI-UHFFFAOYSA-N 1 0 323.849 3.078 50 0 DGAARO Brc1cc(Cc2ccccc2)ccc1OC1C[NH2+]C1 ZINC000042769536 183306611 /nfs/dbraw/zinc/30/66/11/183306611.db2.gz XGKNGYYCXCTARZ-UHFFFAOYSA-N 1 0 318.214 3.391 50 0 DGAARO Cc1csc2nc(C[NH2+][C@@H](C)c3cccc(F)c3)cc(=O)n12 ZINC000043303315 183353090 /nfs/dbraw/zinc/35/30/90/183353090.db2.gz LEZSFSVQGVJKQQ-NSHDSACASA-N 1 0 317.389 3.054 50 0 DGAARO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(OCC2CC2)c(F)c1 ZINC000284422769 218020658 /nfs/dbraw/zinc/02/06/58/218020658.db2.gz OUBMCYLFYUXFJI-ZDUSSCGKSA-N 1 0 317.408 3.241 50 0 DGAARO O=C(NC1CC1)[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000106147506 194187425 /nfs/dbraw/zinc/18/74/25/194187425.db2.gz NIPYEECYHMYYOX-GUDVDZBRSA-N 1 0 306.409 3.152 50 0 DGAARO C[C@H](CCc1ccccc1)CC(=O)N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000106578296 194231805 /nfs/dbraw/zinc/23/18/05/194231805.db2.gz NNAFXOAKLKUCHA-RYRKJORJSA-N 1 0 302.462 3.102 50 0 DGAARO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000106757588 194249536 /nfs/dbraw/zinc/24/95/36/194249536.db2.gz QQCVWKKXEXZSFV-FUHWJXTLSA-N 1 0 315.388 3.055 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)Cc1ccccc1 ZINC000057287883 184032034 /nfs/dbraw/zinc/03/20/34/184032034.db2.gz DSTFEGBBWGAUEG-OAHLLOKOSA-N 1 0 316.832 3.243 50 0 DGAARO C[N@H+](Cc1cccc(F)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000057332210 184033191 /nfs/dbraw/zinc/03/31/91/184033191.db2.gz DZCRYWKCFCOYQL-UHFFFAOYSA-N 1 0 313.328 3.270 50 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COCc1ncc(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)cn1 ZINC000065424035 184342216 /nfs/dbraw/zinc/34/22/16/184342216.db2.gz SVTVFFZAZDKJPR-AWEZNQCLSA-N 1 0 303.406 3.263 50 0 DGAARO CCc1oc2ccccc2c1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000065425690 184342959 /nfs/dbraw/zinc/34/29/59/184342959.db2.gz GUFNHOIEORQJBO-UHFFFAOYSA-N 1 0 312.413 3.097 50 0 DGAARO CCc1ccccc1OCC[N@@H+]1CC[C@H](n2nc(C)cc2C)C1 ZINC000065428023 184343417 /nfs/dbraw/zinc/34/34/17/184343417.db2.gz YERVJEGRMBEWQM-SFHVURJKSA-N 1 0 313.445 3.388 50 0 DGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000065405816 184338757 /nfs/dbraw/zinc/33/87/57/184338757.db2.gz QKVVHUKZTSHIPI-KRWDZBQOSA-N 1 0 311.429 3.132 50 0 DGAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000065534639 184361987 /nfs/dbraw/zinc/36/19/87/184361987.db2.gz QMYHNQJJMMROIT-NSHDSACASA-N 1 0 315.339 3.121 50 0 DGAARO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000065564523 184366412 /nfs/dbraw/zinc/36/64/12/184366412.db2.gz ZPHZFCYRNMOPNO-AEFFLSMTSA-N 1 0 323.440 3.171 50 0 DGAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@H](C)Cn1ccnc1 ZINC000065501280 184355292 /nfs/dbraw/zinc/35/52/92/184355292.db2.gz BOMKUTCPDBXHED-LLVKDONJSA-N 1 0 318.371 3.172 50 0 DGAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000065501013 184355445 /nfs/dbraw/zinc/35/54/45/184355445.db2.gz LDPKRKJOLOZCAO-AWEZNQCLSA-N 1 0 300.358 3.357 50 0 DGAARO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1ccc2c(c1)CCO2 ZINC000065499405 184355604 /nfs/dbraw/zinc/35/56/04/184355604.db2.gz WUIYXLAMUGRYCR-UHFFFAOYSA-N 1 0 321.380 3.304 50 0 DGAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@@H](C)Cn1ccnc1 ZINC000065501275 184355652 /nfs/dbraw/zinc/35/56/52/184355652.db2.gz BOMKUTCPDBXHED-NSHDSACASA-N 1 0 318.371 3.172 50 0 DGAARO CCN(C)c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cn1 ZINC000248846072 285030742 /nfs/dbraw/zinc/03/07/42/285030742.db2.gz NGJCDBYNBMMMOW-GOSISDBHSA-N 1 0 317.477 3.461 50 0 DGAARO C[C@@H](CC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000158499120 197278050 /nfs/dbraw/zinc/27/80/50/197278050.db2.gz BOTRDZWTWSNDMO-NWDGAFQWSA-N 1 0 314.351 3.149 50 0 DGAARO Cc1cc(CCCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000156585403 197125350 /nfs/dbraw/zinc/12/53/50/197125350.db2.gz KOMFGYGWPLYDQL-BBRMVZONSA-N 1 0 308.491 3.273 50 0 DGAARO CC1(C)Cc2cc(C[N@@H+]3CCC[C@]4(CCOC4)C3)ccc2O1 ZINC000095380278 257271957 /nfs/dbraw/zinc/27/19/57/257271957.db2.gz GTQFEGYZBWXYED-IBGZPJMESA-N 1 0 301.430 3.403 50 0 DGAARO Cc1nc(-c2cccc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)c2)cs1 ZINC000237497913 257238682 /nfs/dbraw/zinc/23/86/82/257238682.db2.gz FCJDURBDYBHKMR-ABAIWWIYSA-N 1 0 315.442 3.070 50 0 DGAARO Clc1cc(CC[NH2+]Cc2ccccc2)cc2c1OCCO2 ZINC000237692839 257238903 /nfs/dbraw/zinc/23/89/03/257238903.db2.gz LFWYPKYIUFORAK-UHFFFAOYSA-N 1 0 303.789 3.444 50 0 DGAARO OCC1(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000521396917 257240105 /nfs/dbraw/zinc/24/01/05/257240105.db2.gz GKZZKQUMBXYFKK-MSOLQXFVSA-N 1 0 303.446 3.092 50 0 DGAARO C[NH+](C)[C@@H](CCC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000521394352 257241540 /nfs/dbraw/zinc/24/15/40/257241540.db2.gz GRTPCGRBEIURRX-SJORKVTESA-N 1 0 318.461 3.143 50 0 DGAARO C[NH2+]CCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000121672445 195327492 /nfs/dbraw/zinc/32/74/92/195327492.db2.gz UTEXAWWTWIAHCI-UHFFFAOYSA-N 1 0 314.454 3.318 50 0 DGAARO CN(C)C(=S)C1=CC(C(C)(C)C)=CC1=C(N(C)C)[NH+](C)C ZINC000005383577 400087083 /nfs/dbraw/zinc/08/70/83/400087083.db2.gz YKQFVRPJBDJUHL-UHFFFAOYSA-N 1 0 307.507 3.123 50 0 DGAARO c1ccc(Cc2ccccc2OCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000004842321 400084663 /nfs/dbraw/zinc/08/46/63/400084663.db2.gz YNSWLFCCAHIQGE-IBGZPJMESA-N 1 0 311.425 3.425 50 0 DGAARO Cc1cccc(C2(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)CC2)c1 ZINC000584888549 400120721 /nfs/dbraw/zinc/12/07/21/400120721.db2.gz PDKCWUYKBGCPFT-KRWDZBQOSA-N 1 0 315.461 3.110 50 0 DGAARO CC[N@H+](C)C1(CNC(=O)c2cccn2C2CC2)CCCCC1 ZINC000584886913 400121098 /nfs/dbraw/zinc/12/10/98/400121098.db2.gz QDKSOFYXODWVRS-UHFFFAOYSA-N 1 0 303.450 3.207 50 0 DGAARO CC1=C(c2ccccc2)[C@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000584897088 400123704 /nfs/dbraw/zinc/12/37/04/400123704.db2.gz VZQGDKMMOYXKQO-FQEVSTJZSA-N 1 0 320.436 3.468 50 0 DGAARO C[C@H](CC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1 ZINC000584904347 400124524 /nfs/dbraw/zinc/12/45/24/400124524.db2.gz FQSRZVCWPXURFZ-LMMKCTJWSA-N 1 0 322.452 3.461 50 0 DGAARO Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150079 400128631 /nfs/dbraw/zinc/12/86/31/400128631.db2.gz YMXXAYHJYDMZGQ-OAHLLOKOSA-N 1 0 315.442 3.453 50 0 DGAARO CCN(CC)C(=O)C1([NH2+][C@@H](C)c2ccccn2)CCCCC1 ZINC000097231429 400283251 /nfs/dbraw/zinc/28/32/51/400283251.db2.gz ZRHVUWUEMICCBX-HNNXBMFYSA-N 1 0 303.450 3.304 50 0 DGAARO C[C@@H]([NH2+]CC1OCCO1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000097232314 400284045 /nfs/dbraw/zinc/28/40/45/400284045.db2.gz OABWVXKKDOVDKE-GFCCVEGCSA-N 1 0 318.348 3.037 50 0 DGAARO CCc1nnc2n1C[C@@H](C[NH2+]C/C(C)=C\c1ccccc1)CC2 ZINC000097301501 400284590 /nfs/dbraw/zinc/28/45/90/400284590.db2.gz LCJUSLDLOKKUNY-JBXOJTMHSA-N 1 0 310.445 3.096 50 0 DGAARO CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000097235849 400284705 /nfs/dbraw/zinc/28/47/05/400284705.db2.gz CUSBMZJTBYLZKV-LZLYRXPVSA-N 1 0 322.493 3.105 50 0 DGAARO CSCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1 ZINC000106661408 400329246 /nfs/dbraw/zinc/32/92/46/400329246.db2.gz ZVWRWFCTRUBIDC-DLBZAZTESA-N 1 0 318.486 3.248 50 0 DGAARO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000110688423 400358146 /nfs/dbraw/zinc/35/81/46/400358146.db2.gz VJVNDDABPNKQBI-DJIMGWMZSA-N 1 0 304.434 3.259 50 0 DGAARO COCCOc1ccccc1C[NH2+]Cc1ccccc1OC ZINC000032186642 400360730 /nfs/dbraw/zinc/36/07/30/400360730.db2.gz CPGMMWNRXJMJQG-UHFFFAOYSA-N 1 0 301.386 3.010 50 0 DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cnc(-c3ccccc3)nc2)c1 ZINC000071882153 400372239 /nfs/dbraw/zinc/37/22/39/400372239.db2.gz FKLKEVIANWYPQV-JKSUJKDBSA-N 1 0 321.428 3.388 50 0 DGAARO Cc1nc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)nc2ccccc12 ZINC000072270574 400376794 /nfs/dbraw/zinc/37/67/94/400376794.db2.gz QVWCEOFFNHWEDM-HNNXBMFYSA-N 1 0 321.428 3.051 50 0 DGAARO CC(C)Cn1ncnc1CN[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000124682137 400478297 /nfs/dbraw/zinc/47/82/97/400478297.db2.gz YBKBBHISSVQQFZ-VXGBXAGGSA-N 1 0 304.360 3.145 50 0 DGAARO CC(C)NC(=O)CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000046510961 400567821 /nfs/dbraw/zinc/56/78/21/400567821.db2.gz YSRJMEGZBQCEGR-UHFFFAOYSA-N 1 0 302.340 3.052 50 0 DGAARO C[NH+](C)CCC[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000075279162 400569301 /nfs/dbraw/zinc/56/93/01/400569301.db2.gz IXFWZJQDEROBMN-NRFANRHFSA-N 1 0 301.455 3.476 50 0 DGAARO Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140101222 400615529 /nfs/dbraw/zinc/61/55/29/400615529.db2.gz RYOYINWHGRKOFG-AWEZNQCLSA-N 1 0 318.442 3.292 50 0 DGAARO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000152898719 400683603 /nfs/dbraw/zinc/68/36/03/400683603.db2.gz LPHSJXCLWPMJLF-NSHDSACASA-N 1 0 308.809 3.209 50 0 DGAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000169783904 400761335 /nfs/dbraw/zinc/76/13/35/400761335.db2.gz DTPUPFHIYTWCQC-HNNXBMFYSA-N 1 0 322.399 3.045 50 0 DGAARO CCCc1sc(C(=O)NC2(C)CC[NH+](C)CC2)cc1CC ZINC000170596474 400764290 /nfs/dbraw/zinc/76/42/90/400764290.db2.gz VTKUTLLQBHUBQH-UHFFFAOYSA-N 1 0 308.491 3.477 50 0 DGAARO CCCCS[C@H](C)C(=O)N(CC)C[C@H]1CCC[N@@H+]1CC ZINC000170599155 400764639 /nfs/dbraw/zinc/76/46/39/400764639.db2.gz ZXELEAJHYFKAAB-HUUCEWRRSA-N 1 0 300.512 3.241 50 0 DGAARO Cc1cc(NC2CCSCC2)cc(N2CC[NH+](C)CC2)c1 ZINC000170608791 400766286 /nfs/dbraw/zinc/76/62/86/400766286.db2.gz PBVXNZFEPBMJTO-UHFFFAOYSA-N 1 0 305.491 3.054 50 0 DGAARO CC[C@@H]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000170653067 400768498 /nfs/dbraw/zinc/76/84/98/400768498.db2.gz KNGDBJLHWXNKMM-JZXOWHBKSA-N 1 0 309.498 3.329 50 0 DGAARO COc1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1O ZINC000194995356 400923051 /nfs/dbraw/zinc/92/30/51/400923051.db2.gz STVOUIPZPJCIQQ-LJQANCHMSA-N 1 0 311.381 3.032 50 0 DGAARO C[C@@H]([NH2+]CC[C@H](C)O)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553590 400925478 /nfs/dbraw/zinc/92/54/78/400925478.db2.gz LUSGTYRQXSEEKN-VHSXEESVSA-N 1 0 315.339 3.014 50 0 DGAARO C[C@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000195568610 400926398 /nfs/dbraw/zinc/92/63/98/400926398.db2.gz ZDWGQLAKDFWHBQ-OCCSQVGLSA-N 1 0 321.467 3.360 50 0 DGAARO COc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(OC)nc1 ZINC000225580987 400958312 /nfs/dbraw/zinc/95/83/12/400958312.db2.gz TXUHDKQSWAOXMD-MRXNPFEDSA-N 1 0 314.385 3.102 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC000248142341 401066776 /nfs/dbraw/zinc/06/67/76/401066776.db2.gz QQNFCDSWAJGMAD-IDCNUPLLSA-N 1 0 316.420 3.014 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1ccccc1 ZINC000248157330 401066822 /nfs/dbraw/zinc/06/68/22/401066822.db2.gz WBIOZJPZACILNG-ZWKOTPCHSA-N 1 0 300.446 3.095 50 0 DGAARO Cc1noc(C)c1[C@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000248112090 401066963 /nfs/dbraw/zinc/06/69/63/401066963.db2.gz REHZAXUZVBMPGG-KGLIPLIRSA-N 1 0 321.465 3.166 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000249038586 401080899 /nfs/dbraw/zinc/08/08/99/401080899.db2.gz CRSBVLHKAIZWOD-RYQLBKOJSA-N 1 0 317.477 3.158 50 0 DGAARO Cc1nnc(CN(Cc2ccccc2)C2(CO)CCCC2)s1 ZINC000625467337 401137124 /nfs/dbraw/zinc/13/71/24/401137124.db2.gz DJGCVNGUUDFZCV-UHFFFAOYSA-N 1 0 317.458 3.154 50 0 DGAARO C[C@@H]1C[C@H](CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC000252142003 401093659 /nfs/dbraw/zinc/09/36/59/401093659.db2.gz NIUIYONNBJSBMH-OIISXLGYSA-N 1 0 306.494 3.439 50 0 DGAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccnc2)[C@@H]1Oc1ccccc1 ZINC000359666328 286356975 /nfs/dbraw/zinc/35/69/75/286356975.db2.gz WCJQUKPIDUQRGX-FZDIXFNVSA-N 1 0 312.413 3.357 50 0 DGAARO COCc1noc([C@@H](C)N2CCSC3(CCCCC3)C2)n1 ZINC000181973983 432152701 /nfs/dbraw/zinc/15/27/01/432152701.db2.gz SCYUVKGBYNKVNK-GFCCVEGCSA-N 1 0 311.451 3.029 50 0 DGAARO O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150809221 432193266 /nfs/dbraw/zinc/19/32/66/432193266.db2.gz SZJQEXCIQGEYTR-AWEZNQCLSA-N 1 0 322.836 3.136 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191066199 432216776 /nfs/dbraw/zinc/21/67/76/432216776.db2.gz MNJMGDFYUIIOSS-ULQDDVLXSA-N 1 0 314.477 3.396 50 0 DGAARO Cc1sc(C(=O)N2CC[C@H]([NH3+])C2)cc1-c1ccc(F)cc1 ZINC000132697671 196276907 /nfs/dbraw/zinc/27/69/07/196276907.db2.gz NXSFMISOIKEUIY-ZDUSSCGKSA-N 1 0 304.390 3.036 50 0 DGAARO CC[N@H+](Cc1ccc(NC(C)=O)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000291002380 222063520 /nfs/dbraw/zinc/06/35/20/222063520.db2.gz AZUCBIJACRKVHY-QGZVFWFLSA-N 1 0 304.434 3.425 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCOC1 ZINC000179524854 228351489 /nfs/dbraw/zinc/35/14/89/228351489.db2.gz YWOVAYUCOJONLI-YNEHKIRRSA-N 1 0 312.816 3.072 50 0 DGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000299738823 229372532 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C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)[C@H](C)n1cccn1 ZINC000069951939 278356820 /nfs/dbraw/zinc/35/68/20/278356820.db2.gz GZXQZTSIHYYUKQ-NEPJUHHUSA-N 1 0 302.403 3.339 50 0 DGAARO C[C@@H](c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1)[NH+]1CCOCC1 ZINC000426411565 278411299 /nfs/dbraw/zinc/41/12/99/278411299.db2.gz VELRNOFOGIUWGR-AWEZNQCLSA-N 1 0 322.408 3.241 50 0 DGAARO Cc1cc(OC[C@H](O)C[NH+]2CCC(C)CC2)cc(C)c1Cl ZINC000001189169 278738874 /nfs/dbraw/zinc/73/88/74/278738874.db2.gz ABIYQBDUTHMHKA-OAHLLOKOSA-N 1 0 311.853 3.428 50 0 DGAARO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2C)C1 ZINC000108138939 431128653 /nfs/dbraw/zinc/12/86/53/431128653.db2.gz CTXTVPVUAQGOAY-CRAIPNDOSA-N 1 0 315.413 3.368 50 0 DGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000108358139 431134935 /nfs/dbraw/zinc/13/49/35/431134935.db2.gz FAYLTKUUACFVBH-YFPSAGDSSA-N 1 0 311.466 3.426 50 0 DGAARO C=C1[NH+]=C(SCC)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000000151206 431133106 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C[C@H]1CCCN(C(=O)C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000000317616 431165952 /nfs/dbraw/zinc/16/59/52/431165952.db2.gz OLJQKWVTWYSZGV-IRXDYDNUSA-N 1 0 304.478 3.313 50 0 DGAARO Cc1ccc(/C=C\C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000109047596 431167508 /nfs/dbraw/zinc/16/75/08/431167508.db2.gz GGZQLFOEYXHLSG-CFYYFVFUSA-N 1 0 304.434 3.228 50 0 DGAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000069581958 431201274 /nfs/dbraw/zinc/20/12/74/431201274.db2.gz YZKQPKBCVOXTTC-SFHVURJKSA-N 1 0 306.409 3.065 50 0 DGAARO Fc1ccc(Sc2ccccc2CNC2=[NH+]CCN2)cc1 ZINC000000346633 431168114 /nfs/dbraw/zinc/16/81/14/431168114.db2.gz WOOOTZOPDGUAGF-UHFFFAOYSA-N 1 0 301.390 3.026 50 0 DGAARO Fc1ccc(-c2cc(C(F)(F)F)nc(-n3ccnc3)n2)cc1 ZINC000000426657 431181206 /nfs/dbraw/zinc/18/12/06/431181206.db2.gz BJMUJHGUMGOABX-UHFFFAOYSA-N 1 0 308.238 3.487 50 0 DGAARO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000000448294 431183063 /nfs/dbraw/zinc/18/30/63/431183063.db2.gz 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CCn1cc(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000069743606 431220809 /nfs/dbraw/zinc/22/08/09/431220809.db2.gz PYTXZWNPUCDXMQ-HNNXBMFYSA-N 1 0 300.450 3.122 50 0 DGAARO COc1cccc(NC(=O)NC2CC[NH+](CC=C(C)C)CC2)c1 ZINC000069808526 431223103 /nfs/dbraw/zinc/22/31/03/431223103.db2.gz CZAZBVJHMWZYIR-UHFFFAOYSA-N 1 0 317.433 3.247 50 0 DGAARO COc1cc([C@H](C)[NH2+]Cc2cccc(O)c2)cc(OC)c1OC ZINC000069871668 431227663 /nfs/dbraw/zinc/22/76/63/431227663.db2.gz XUXRNIJNLHIYAJ-LBPRGKRZSA-N 1 0 317.385 3.269 50 0 DGAARO CCc1ncc2c(n1)C[N@@H+](CCCc1nc3ccccc3o1)CC2 ZINC000069949443 431233576 /nfs/dbraw/zinc/23/35/76/431233576.db2.gz AWMUJPWGJOYDBL-UHFFFAOYSA-N 1 0 322.412 3.171 50 0 DGAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000069929857 431233879 /nfs/dbraw/zinc/23/38/79/431233879.db2.gz GPJHKHZOWNTIST-OALUTQOASA-N 1 0 323.440 3.210 50 0 DGAARO COc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000002380285 431250945 /nfs/dbraw/zinc/25/09/45/431250945.db2.gz KTPSBVMIEJBPRD-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 biogenic DGAARO CCOc1ccc(OCCOCC[NH+]2CCC(C)CC2)cc1 ZINC000003001937 431279292 /nfs/dbraw/zinc/27/92/92/431279292.db2.gz GRMJTDWVXYUBRA-UHFFFAOYSA-N 1 0 307.434 3.213 50 0 DGAARO COCCC[NH2+]CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000003003926 431281004 /nfs/dbraw/zinc/28/10/04/431281004.db2.gz AXYCAZHNCXRZAT-UHFFFAOYSA-N 1 0 322.232 3.015 50 0 DGAARO Cc1ccc2ncccc2c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071589432 431281933 /nfs/dbraw/zinc/28/19/33/431281933.db2.gz NAGXINSQZNSBMZ-UHFFFAOYSA-N 1 0 323.440 3.130 50 0 DGAARO O=c1[nH]nc([C@@H](c2ccccc2)[NH+]2CCCCC2)c2ccccc21 ZINC000003147616 431283378 /nfs/dbraw/zinc/28/33/78/431283378.db2.gz BPILGNGCSZQBFG-LJQANCHMSA-N 1 0 319.408 3.498 50 0 DGAARO CC[C@H]1CCCC[N@@H+]1CC(C)(C)NS(=O)(=O)c1ccccc1 ZINC000003179539 431285292 /nfs/dbraw/zinc/28/52/92/431285292.db2.gz PMBKITOFUPVZRX-HNNXBMFYSA-N 1 0 324.490 3.008 50 0 DGAARO C[N@@H+]1CCC[C@H](CSc2nncn2CCc2cccs2)C1 ZINC000071804190 431290287 /nfs/dbraw/zinc/29/02/87/431290287.db2.gz 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ZINC000007980971 431374876 /nfs/dbraw/zinc/37/48/76/431374876.db2.gz NCGQZPGYGSTJQC-AWEZNQCLSA-N 1 0 310.426 3.378 50 0 DGAARO CN1CCN(C(=O)c2cc3ccccn3c2)c2ccccc2C1 ZINC000114265859 431377543 /nfs/dbraw/zinc/37/75/43/431377543.db2.gz HYLGWLBESSUZOP-UHFFFAOYSA-N 1 0 305.381 3.032 50 0 DGAARO CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OC ZINC000008253581 431387929 /nfs/dbraw/zinc/38/79/29/431387929.db2.gz PRIDKGNSNXHJCQ-UHFFFAOYSA-N 1 0 300.196 3.108 50 0 DGAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCc1ccccc1 ZINC000008320471 431393283 /nfs/dbraw/zinc/39/32/83/431393283.db2.gz CNOAPFPVMAFKSM-OAHLLOKOSA-N 1 0 300.427 3.201 50 0 DGAARO C[N@H+](CCOc1ccccc1F)CCC(=O)Nc1ccccc1 ZINC000008750103 431411348 /nfs/dbraw/zinc/41/13/48/431411348.db2.gz WBADQGHKZSOUOL-UHFFFAOYSA-N 1 0 316.376 3.165 50 0 DGAARO Cc1noc(C)c1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008745468 431412768 /nfs/dbraw/zinc/41/27/68/431412768.db2.gz KIHAHUJBSJTYRU-UHFFFAOYSA-N 1 0 319.449 3.210 50 0 DGAARO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000009690050 431444048 /nfs/dbraw/zinc/44/40/48/431444048.db2.gz IWBLMSQVMSMRHG-UHFFFAOYSA-N 1 0 322.330 3.436 50 0 DGAARO CS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000075109029 431454813 /nfs/dbraw/zinc/45/48/13/431454813.db2.gz NKOYBCRXVPGQSA-QFQMRYFISA-N 1 0 321.486 3.379 50 0 DGAARO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](C)C2)C(C)C)cc1 ZINC000010051461 431455051 /nfs/dbraw/zinc/45/50/51/431455051.db2.gz KLLWBTBMNOYGII-HNAYVOBHSA-N 1 0 318.461 3.240 50 0 DGAARO C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000075143220 431458818 /nfs/dbraw/zinc/45/88/18/431458818.db2.gz GVHLKOWQSAITOY-RDTXWAMCSA-N 1 0 315.461 3.059 50 0 DGAARO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010340529 431461291 /nfs/dbraw/zinc/46/12/91/431461291.db2.gz UXTMTIIWIFJGAH-LJQANCHMSA-N 1 0 308.425 3.448 50 0 DGAARO Cc1c([C@H](C)[NH2+]C2CCOCC2)cnn1-c1cccc(F)c1 ZINC000011662924 431479177 /nfs/dbraw/zinc/47/91/77/431479177.db2.gz PQTKDNBZXMSWHM-LBPRGKRZSA-N 1 0 303.381 3.149 50 0 DGAARO c1nc2ccccc2n1-c1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000012567051 431519096 /nfs/dbraw/zinc/51/90/96/431519096.db2.gz CWGSNRUSVRWCKV-QGZVFWFLSA-N 1 0 307.397 3.294 50 0 DGAARO c1ccc2oc(NCC3([NH+]4CCOCC4)CCCCC3)nc2c1 ZINC000012804536 431528445 /nfs/dbraw/zinc/52/84/45/431528445.db2.gz GJIUUYOIONNQAE-UHFFFAOYSA-N 1 0 315.417 3.275 50 0 DGAARO CC[N@@H+](Cc1ccccn1)CC1CCN(c2ccccn2)CC1 ZINC000076108483 431528593 /nfs/dbraw/zinc/52/85/93/431528593.db2.gz QJMYRJBUSADBJB-UHFFFAOYSA-N 1 0 310.445 3.215 50 0 DGAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000075572714 431485121 /nfs/dbraw/zinc/48/51/21/431485121.db2.gz MVYIVVBGOJMVDA-CRAIPNDOSA-N 1 0 312.413 3.035 50 0 DGAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCCC[C@H]1CO ZINC000011817947 431485873 /nfs/dbraw/zinc/48/58/73/431485873.db2.gz FZNIVRXDUOVENG-INIZCTEOSA-N 1 0 300.402 3.305 50 0 DGAARO OCC1(CCCc2ccccc2)CC[NH+](C2CCOCC2)CC1 ZINC000012091232 431490553 /nfs/dbraw/zinc/49/05/53/431490553.db2.gz CLFYNBJZFSJVCC-UHFFFAOYSA-N 1 0 317.473 3.263 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000012382482 431502941 /nfs/dbraw/zinc/50/29/41/431502941.db2.gz WIKXSEHVGKDITP-ZDUSSCGKSA-N 1 0 324.852 3.096 50 0 DGAARO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000012459542 431510115 /nfs/dbraw/zinc/51/01/15/431510115.db2.gz DUXCJWLYHMZBFH-FQEVSTJZSA-N 1 0 312.457 3.220 50 0 DGAARO Cc1ccccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000012945136 431537437 /nfs/dbraw/zinc/53/74/37/431537437.db2.gz STDYNMGVSDYIMY-QGZVFWFLSA-N 1 0 300.377 3.167 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1)c1ccsc1 ZINC000013011110 431543402 /nfs/dbraw/zinc/54/34/02/431543402.db2.gz PUSGVBZNFUKNRB-AWEZNQCLSA-N 1 0 308.834 3.434 50 0 DGAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCCCCC2)c1C ZINC000013058013 431544273 /nfs/dbraw/zinc/54/42/73/431544273.db2.gz ZOPVZLGKEGPZMP-CQSZACIVSA-N 1 0 320.433 3.255 50 0 DGAARO C[NH+]1CCC(NC(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000013325894 431551718 /nfs/dbraw/zinc/55/17/18/431551718.db2.gz BJHANOPSUUTMLW-UHFFFAOYSA-N 1 0 317.380 3.086 50 0 DGAARO CSc1ccccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013645977 431563453 /nfs/dbraw/zinc/56/34/53/431563453.db2.gz KPFJOXHWEGSSPG-UHFFFAOYSA-N 1 0 306.475 3.260 50 0 DGAARO Cc1c2ccccc2sc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058148539 280275081 /nfs/dbraw/zinc/27/50/81/280275081.db2.gz KCDZZPLLSVVXIQ-LBPRGKRZSA-N 1 0 300.427 3.176 50 0 DGAARO CC(C)C(=O)N(Cc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000015070693 431600967 /nfs/dbraw/zinc/60/09/67/431600967.db2.gz GINOQRSNWKCLCW-UHFFFAOYSA-N 1 0 318.461 3.164 50 0 DGAARO COc1ccc(CN2CCC([C@H](C)[NH+](C)C)CC2)c(F)c1F ZINC000077537406 431605922 /nfs/dbraw/zinc/60/59/22/431605922.db2.gz NGYAWJRYPGRZRZ-LBPRGKRZSA-N 1 0 312.404 3.136 50 0 DGAARO CC[C@@H](O)C[NH+]1CCN(c2ccc(C3CCCC3)cc2)CC1 ZINC000019802304 431617671 /nfs/dbraw/zinc/61/76/71/431617671.db2.gz VNIWYEKFNDXMBT-LJQANCHMSA-N 1 0 302.462 3.237 50 0 DGAARO c1[nH]nc2c1C[C@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000090456004 280506625 /nfs/dbraw/zinc/50/66/25/280506625.db2.gz JPMPUHWZCBZPEI-RHSMWYFYSA-N 1 0 309.413 3.303 50 0 DGAARO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000025900404 431665155 /nfs/dbraw/zinc/66/51/55/431665155.db2.gz XVORWAXCJWZPKL-OLZOCXBDSA-N 1 0 317.389 3.060 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccccc3)C(C)C)nc12 ZINC000025820558 431665183 /nfs/dbraw/zinc/66/51/83/431665183.db2.gz DOJAGXLSBRFQNL-UHFFFAOYSA-N 1 0 321.424 3.414 50 0 DGAARO Cc1ccc(/C=C/C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC000025811100 431666143 /nfs/dbraw/zinc/66/61/43/431666143.db2.gz DNOWLTOYFXKNIS-LFAOLKIESA-N 1 0 304.415 3.082 50 0 DGAARO C[C@H]1C[NH+](C(C)(C)CNc2nc3ccccc3o2)C[C@H](C)O1 ZINC000026083220 431667759 /nfs/dbraw/zinc/66/77/59/431667759.db2.gz XZDURZQMXQKFNW-STQMWFEESA-N 1 0 303.406 3.128 50 0 DGAARO CC1(C)CC(NC(=O)NCc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000026180247 431670358 /nfs/dbraw/zinc/67/03/58/431670358.db2.gz HULIZLSKWIYZSP-UHFFFAOYSA-N 1 0 323.868 3.448 50 0 DGAARO COc1ccc(C)cc1NC(=O)C[N@H+]([C@@H](C)C(C)C)C1CC1 ZINC000026669943 431677894 /nfs/dbraw/zinc/67/78/94/431677894.db2.gz VLHLGVFODJHQIK-AWEZNQCLSA-N 1 0 304.434 3.451 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+][C@H]2COc3c2ccc(C)c3C)cc1 ZINC000078553841 431683058 /nfs/dbraw/zinc/68/30/58/431683058.db2.gz ZCOWFHIERMMAGS-SFHVURJKSA-N 1 0 310.397 3.485 50 0 DGAARO Cc1cc(C)c(OCC(=O)NCC[NH+](C(C)C)C(C)C)c(C)c1 ZINC000027456551 431689844 /nfs/dbraw/zinc/68/98/44/431689844.db2.gz KILQCMLKQMOUSD-UHFFFAOYSA-N 1 0 320.477 3.226 50 0 DGAARO Cc1cnc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cn1 ZINC000078665122 431694317 /nfs/dbraw/zinc/69/43/17/431694317.db2.gz CVVWQTPCZHQOBZ-UHFFFAOYSA-N 1 0 317.820 3.234 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1 ZINC000028305419 431704455 /nfs/dbraw/zinc/70/44/55/431704455.db2.gz OEHNGWWNNRQDCX-LBPRGKRZSA-N 1 0 318.804 3.055 50 0 DGAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccs2)no1 ZINC000028634529 431708658 /nfs/dbraw/zinc/70/86/58/431708658.db2.gz VDNQPCANHUBOJA-GFCCVEGCSA-N 1 0 305.403 3.210 50 0 DGAARO Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1cccc(O)c1 ZINC000078394232 431663820 /nfs/dbraw/zinc/66/38/20/431663820.db2.gz OMGXJDHYFHFVTH-UHFFFAOYSA-N 1 0 318.804 3.472 50 0 DGAARO Cc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000031338148 431758615 /nfs/dbraw/zinc/75/86/15/431758615.db2.gz HFIUPXSXPCDFMS-UHFFFAOYSA-N 1 0 308.425 3.092 50 0 DGAARO CC1CC[NH+](CCCNC(=O)NCc2cccc(Cl)c2)CC1 ZINC000032862397 431796853 /nfs/dbraw/zinc/79/68/53/431796853.db2.gz RUEKZHHIKVMJIV-UHFFFAOYSA-N 1 0 323.868 3.261 50 0 DGAARO CC[N@@H+]1CCC[C@@H](OC(=O)c2ccc(Br)cc2)C1 ZINC000032962581 431803562 /nfs/dbraw/zinc/80/35/62/431803562.db2.gz REHKIFLZEBUJET-CYBMUJFWSA-N 1 0 312.207 3.090 50 0 DGAARO C[NH+](C)CCCNC(=O)/C=C\c1c(Cl)cccc1Cl ZINC000033455900 431815213 /nfs/dbraw/zinc/81/52/13/431815213.db2.gz LDNQWEUVSSIANC-FPLPWBNLSA-N 1 0 301.217 3.075 50 0 DGAARO O=C(NCCc1[nH+]cc2ccccn21)Nc1cccc(Cl)c1 ZINC000031773132 431766760 /nfs/dbraw/zinc/76/67/60/431766760.db2.gz NQGVDHXKXHSRQT-UHFFFAOYSA-N 1 0 314.776 3.352 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)c1occc1C)c1ccsc1 ZINC000031992772 431771158 /nfs/dbraw/zinc/77/11/58/431771158.db2.gz XOYRTGRTZXYPJY-CQSZACIVSA-N 1 0 306.431 3.462 50 0 DGAARO O=C(NCCCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000040158580 431856807 /nfs/dbraw/zinc/85/68/07/431856807.db2.gz GOHSLVRYHIFWIE-HXUWFJFHSA-N 1 0 322.452 3.400 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](SCC)C2)CC1 ZINC000089158144 431860385 /nfs/dbraw/zinc/86/03/85/431860385.db2.gz NZVOBAIRMZZHBS-CABCVRRESA-N 1 0 314.495 3.261 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](SCC)C2)CC1 ZINC000089158147 431860645 /nfs/dbraw/zinc/86/06/45/431860645.db2.gz NZVOBAIRMZZHBS-LSDHHAIUSA-N 1 0 314.495 3.261 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](CC)C1 ZINC000089284871 431862540 /nfs/dbraw/zinc/86/25/40/431862540.db2.gz OTSJTBKSSPNTIM-ROUUACIJSA-N 1 0 302.462 3.376 50 0 DGAARO Cc1ccoc1[C@@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000089515252 431868518 /nfs/dbraw/zinc/86/85/18/431868518.db2.gz YYUCBNYFHMADEZ-QWHCGFSZSA-N 1 0 322.430 3.371 50 0 DGAARO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccsc1 ZINC000089595217 431871269 /nfs/dbraw/zinc/87/12/69/431871269.db2.gz COOVPPLXMGZSFU-HNNXBMFYSA-N 1 0 308.491 3.434 50 0 DGAARO COc1ccccc1C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000089610797 431871896 /nfs/dbraw/zinc/87/18/96/431871896.db2.gz XJAOREHCUHATQX-ZDUSSCGKSA-N 1 0 310.401 3.206 50 0 DGAARO CC(C)CCn1cccc1C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000084510856 431826239 /nfs/dbraw/zinc/82/62/39/431826239.db2.gz JPIYHGDWKHFPQJ-MRXNPFEDSA-N 1 0 300.450 3.398 50 0 DGAARO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC000084575468 431829322 /nfs/dbraw/zinc/82/93/22/431829322.db2.gz PMHDVBYEJLZPNV-SFHVURJKSA-N 1 0 318.461 3.479 50 0 DGAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COCc1ccco1 ZINC000036096967 431836145 /nfs/dbraw/zinc/83/61/45/431836145.db2.gz UGUHYZCVLIWZNM-KRWDZBQOSA-N 1 0 303.402 3.069 50 0 DGAARO CC1CC[NH+]([C@@H](CNC(=O)C2CCC2)c2cccs2)CC1 ZINC000036310340 431838736 /nfs/dbraw/zinc/83/87/36/431838736.db2.gz KQHLYRCEVGXEOX-HNNXBMFYSA-N 1 0 306.475 3.437 50 0 DGAARO Cc1noc2nc(C)cc(C(=O)Nc3cccc(C[NH+](C)C)c3)c12 ZINC000047453885 431909984 /nfs/dbraw/zinc/90/99/84/431909984.db2.gz HTGPNVWWQBXDJP-UHFFFAOYSA-N 1 0 324.384 3.154 50 0 DGAARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000048045872 431918282 /nfs/dbraw/zinc/91/82/82/431918282.db2.gz PBMNSNUBQSBXFP-HNNXBMFYSA-N 1 0 318.436 3.296 50 0 DGAARO Fc1ccc([C@@H](c2ccccc2)N2CCC[NH2+]CC2)c(F)c1 ZINC000095470226 431926488 /nfs/dbraw/zinc/92/64/88/431926488.db2.gz WSKYMLTZFGKLOP-GOSISDBHSA-N 1 0 302.368 3.350 50 0 DGAARO CC[NH+]1CCN(c2ccc(Br)c(Cl)c2)CC1 ZINC000095217860 431922409 /nfs/dbraw/zinc/92/24/09/431922409.db2.gz CZPOPTXZINVAQU-UHFFFAOYSA-N 1 0 303.631 3.244 50 0 DGAARO C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000048309530 431922796 /nfs/dbraw/zinc/92/27/96/431922796.db2.gz HATJZHBAHYJBGH-NVXWUHKLSA-N 1 0 318.436 3.439 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccccc1F ZINC000048332674 431923919 /nfs/dbraw/zinc/92/39/19/431923919.db2.gz KLYBZQVXANHCEU-LBPRGKRZSA-N 1 0 314.339 3.396 50 0 DGAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048364692 431924428 /nfs/dbraw/zinc/92/44/28/431924428.db2.gz KSCHEYXUUXZVAJ-CQSZACIVSA-N 1 0 314.410 3.493 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCc1ccc(F)cc1 ZINC000095387339 431924524 /nfs/dbraw/zinc/92/45/24/431924524.db2.gz GZUYBUPKUNAZNN-QGZVFWFLSA-N 1 0 306.425 3.139 50 0 DGAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)COC1CCCC1 ZINC000048368155 431924667 /nfs/dbraw/zinc/92/46/67/431924667.db2.gz BJPOAWFVYMSEMC-UHFFFAOYSA-N 1 0 318.461 3.102 50 0 DGAARO NC(=O)N1CCC([NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000095422387 431924939 /nfs/dbraw/zinc/92/49/39/431924939.db2.gz WQCJPRQQTMHTCY-INIZCTEOSA-N 1 0 321.852 3.240 50 0 DGAARO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(OC)c1 ZINC000095422993 431924978 /nfs/dbraw/zinc/92/49/78/431924978.db2.gz FUJLKBRMWQBHGC-SJCJKPOMSA-N 1 0 321.442 3.324 50 0 DGAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCCO[C@@H]1CCOC1 ZINC000095423734 431925120 /nfs/dbraw/zinc/92/51/20/431925120.db2.gz RLGZRDYXYHHJKP-NVXWUHKLSA-N 1 0 317.429 3.218 50 0 DGAARO CCOc1cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)ccn1 ZINC000095420328 431925165 /nfs/dbraw/zinc/92/51/65/431925165.db2.gz QVGXJNYLPAUNTH-XMHCIUCPSA-N 1 0 318.442 3.069 50 0 DGAARO Cc1csc([C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)n1 ZINC000089705327 431875576 /nfs/dbraw/zinc/87/55/76/431875576.db2.gz SBIUQBGPXHLNSL-UKRRQHHQSA-N 1 0 321.490 3.283 50 0 DGAARO Cc1cn2c(n1)[C@H](C[NH2+]CC1=Cc3ccccc3OC1)CCC2 ZINC000089702098 431875738 /nfs/dbraw/zinc/87/57/38/431875738.db2.gz ZMIJGRPKULWBMC-KRWDZBQOSA-N 1 0 309.413 3.135 50 0 DGAARO c1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)ccn1 ZINC000089800403 431879722 /nfs/dbraw/zinc/87/97/22/431879722.db2.gz DJWQZGGFNPUAMY-UHFFFAOYSA-N 1 0 310.397 3.412 50 0 DGAARO Clc1ccc(C[NH2+]CCOC[C@@H]2CCCO2)c2ncccc12 ZINC000089807726 431880506 /nfs/dbraw/zinc/88/05/06/431880506.db2.gz MPHNTFYRTLXRBH-AWEZNQCLSA-N 1 0 320.820 3.173 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(F)cc(F)c1 ZINC000089904553 431884819 /nfs/dbraw/zinc/88/48/19/431884819.db2.gz YCIXVHLABYEJIP-GFCCVEGCSA-N 1 0 314.339 3.396 50 0 DGAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000090764608 431894545 /nfs/dbraw/zinc/89/45/45/431894545.db2.gz BHZWPJKSKUHWQP-ZRUHOGSISA-N 1 0 320.458 3.483 50 0 DGAARO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@@H]1COc2ccccc21 ZINC000090845613 431896121 /nfs/dbraw/zinc/89/61/21/431896121.db2.gz VQUZHJIGVSBJBN-QAPCUYQASA-N 1 0 323.440 3.205 50 0 DGAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000046934229 431903028 /nfs/dbraw/zinc/90/30/28/431903028.db2.gz VKBKOYSZKUGPQJ-YOEHRIQHSA-N 1 0 302.418 3.036 50 0 DGAARO Cc1nnc(CN(C)Cc2ccc(C[NH+]3CCCCC3)s2)o1 ZINC000097547701 431970644 /nfs/dbraw/zinc/97/06/44/431970644.db2.gz BALFCXXIBIFZRZ-UHFFFAOYSA-N 1 0 320.462 3.057 50 0 DGAARO O=C(NCCC12CCC[NH+]1CCC2)Nc1c(F)cccc1F ZINC000097529045 431970700 /nfs/dbraw/zinc/97/07/00/431970700.db2.gz SGNQQTLBNFYXHT-UHFFFAOYSA-N 1 0 309.360 3.105 50 0 DGAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2cccs2)C1 ZINC000054540860 431972349 /nfs/dbraw/zinc/97/23/49/431972349.db2.gz ITSKDLFKEAEIQL-CQSZACIVSA-N 1 0 323.506 3.100 50 0 DGAARO c1ccc(COc2ccccc2-c2nc3c([nH]2)C[NH2+]CC3)cc1 ZINC000097713488 431974123 /nfs/dbraw/zinc/97/41/23/431974123.db2.gz DWXZYRSNPYZSEI-UHFFFAOYSA-N 1 0 305.381 3.301 50 0 DGAARO Clc1cccc2ccc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)nc12 ZINC000097813797 431975074 /nfs/dbraw/zinc/97/50/74/431975074.db2.gz DYFZEQDIIZFOSR-KGLIPLIRSA-N 1 0 301.821 3.215 50 0 DGAARO COCCOC1CC[NH+](Cc2c(C)ccc3ncccc32)CC1 ZINC000097773181 431975322 /nfs/dbraw/zinc/97/53/22/431975322.db2.gz BEPVONVKXCVKQO-UHFFFAOYSA-N 1 0 314.429 3.171 50 0 DGAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccc2c(c1)CCO2 ZINC000055099412 431975912 /nfs/dbraw/zinc/97/59/12/431975912.db2.gz RJQZOOYRCKKKLX-KRWDZBQOSA-N 1 0 317.454 3.456 50 0 DGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccc3nsnc32)c1 ZINC000055243907 431978452 /nfs/dbraw/zinc/97/84/52/431978452.db2.gz JXPLUEHVHASPQC-CYBMUJFWSA-N 1 0 312.442 3.458 50 0 DGAARO C[C@@H](C(=O)N(C)CCc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000095939007 431927204 /nfs/dbraw/zinc/92/72/04/431927204.db2.gz OHARULNACGIXQI-KFWWJZLASA-N 1 0 306.425 3.088 50 0 DGAARO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000095967514 431928826 /nfs/dbraw/zinc/92/88/26/431928826.db2.gz IXFBHKAVRNKNLE-MNOVXSKESA-N 1 0 307.467 3.080 50 0 DGAARO Cc1cccc(OC[C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000095967393 431928862 /nfs/dbraw/zinc/92/88/62/431928862.db2.gz ZMXMBDMVVBJRMA-CQSZACIVSA-N 1 0 312.404 3.081 50 0 DGAARO CS[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000095961918 431929267 /nfs/dbraw/zinc/92/92/67/431929267.db2.gz IGAVZSWEJVOTJB-LSDHHAIUSA-N 1 0 312.523 3.287 50 0 DGAARO CC1(C)C[C@@H]([NH2+]Cc2nccn2Cc2ccccc2)C(C)(C)O1 ZINC000095968686 431929658 /nfs/dbraw/zinc/92/96/58/431929658.db2.gz OKBZGLUZLVORQS-MRXNPFEDSA-N 1 0 313.445 3.367 50 0 DGAARO CC1(C)[C@H]([NH2+]CCC(=O)NCc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000095971783 431929824 /nfs/dbraw/zinc/92/98/24/431929824.db2.gz ISOPDDHDXLSXJK-ZIFCJYIRSA-N 1 0 314.473 3.497 50 0 DGAARO Cc1csc([C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 ZINC000095968561 431929832 /nfs/dbraw/zinc/92/98/32/431929832.db2.gz CNBTYXXSNPEGOC-NWDGAFQWSA-N 1 0 319.396 3.129 50 0 DGAARO C[C@H]([NH2+][C@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 ZINC000095968338 431929994 /nfs/dbraw/zinc/92/99/94/431929994.db2.gz KMXGLMDHSXQJSR-WCQYABFASA-N 1 0 305.399 3.251 50 0 DGAARO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000048683500 431930764 /nfs/dbraw/zinc/93/07/64/431930764.db2.gz DMOBTBUAEYXRBY-AWEZNQCLSA-N 1 0 324.432 3.070 50 0 DGAARO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000095978232 431930993 /nfs/dbraw/zinc/93/09/93/431930993.db2.gz OQRDSJMNVSSMHR-GXTWGEPZSA-N 1 0 319.426 3.121 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000048713692 431931361 /nfs/dbraw/zinc/93/13/61/431931361.db2.gz ITTXIUVLNQVYSE-UHFFFAOYSA-N 1 0 309.417 3.019 50 0 DGAARO CC[N@@H+]1CC[C@H](Nc2ccc(NC(=O)C(C)C)cc2)[C@H](C)C1 ZINC000095990526 431932364 /nfs/dbraw/zinc/93/23/64/431932364.db2.gz ZKOYAUIIAPCGGG-PBHICJAKSA-N 1 0 303.450 3.423 50 0 DGAARO Cc1ccc(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)cc1C ZINC000095995957 431933722 /nfs/dbraw/zinc/93/37/22/431933722.db2.gz PUKJGRIMOHNZII-SFHVURJKSA-N 1 0 318.461 3.163 50 0 DGAARO Cc1nc(-c2ccccc2)sc1NC(=O)N(C)CC[NH+](C)C ZINC000096010720 431934362 /nfs/dbraw/zinc/93/43/62/431934362.db2.gz POADLQQDUVLMIW-UHFFFAOYSA-N 1 0 318.446 3.144 50 0 DGAARO CC[N@H+](C)C1(CNC(=O)Nc2cccc(C(C)=O)c2)CCCC1 ZINC000096140071 431939359 /nfs/dbraw/zinc/93/93/59/431939359.db2.gz BMOCSNHZHIDVHX-UHFFFAOYSA-N 1 0 317.433 3.275 50 0 DGAARO COc1ccc(-c2ccccc2OCC[NH+](C)C)cc1OC ZINC000096137204 431939401 /nfs/dbraw/zinc/93/94/01/431939401.db2.gz XNXMFWCAXFKLHM-UHFFFAOYSA-N 1 0 301.386 3.311 50 0 DGAARO CCc1oc(-c2nc([C@H]3CCOC3)no2)cc1C[NH+](CC)CC ZINC000096140548 431939845 /nfs/dbraw/zinc/93/98/45/431939845.db2.gz QZKDCQJVUBLVFI-LBPRGKRZSA-N 1 0 319.405 3.238 50 0 DGAARO c1coc(C[NH+]2CCC(c3nc(-c4ccncc4)no3)CC2)c1 ZINC000096131317 431939863 /nfs/dbraw/zinc/93/98/63/431939863.db2.gz OIKYMGDJVFRWRT-UHFFFAOYSA-N 1 0 310.357 3.104 50 0 DGAARO c1cc(-c2nc([C@@H]3CCOC3)no2)ccc1C[NH+]1CCCCC1 ZINC000096141005 431939887 /nfs/dbraw/zinc/93/98/87/431939887.db2.gz WPQIPPYKDHEJKK-MRXNPFEDSA-N 1 0 313.401 3.226 50 0 DGAARO Cc1ccc(NC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000096151365 431940455 /nfs/dbraw/zinc/94/04/55/431940455.db2.gz WGYVAWVWELTXON-ZDUSSCGKSA-N 1 0 305.397 3.225 50 0 DGAARO CC(C)[NH+]1CCC(c2nc(-c3ccc4nc[nH]c4c3)no2)CC1 ZINC000096151368 431941006 /nfs/dbraw/zinc/94/10/06/431941006.db2.gz NKNNPIPCANARTQ-UHFFFAOYSA-N 1 0 311.389 3.201 50 0 DGAARO CCO[C@@H](C)c1nc(CN2CCC([NH2+]C(C)C)CC2)cs1 ZINC000096413227 431946759 /nfs/dbraw/zinc/94/67/59/431946759.db2.gz VHDLFKFAASPQAG-ZDUSSCGKSA-N 1 0 311.495 3.203 50 0 DGAARO CCn1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000096456799 431951440 /nfs/dbraw/zinc/95/14/40/431951440.db2.gz FKGREKHBHRSAQX-VQIMIIECSA-N 1 0 312.461 3.046 50 0 DGAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000096476534 431952726 /nfs/dbraw/zinc/95/27/26/431952726.db2.gz NXUZUQOZHLISES-GUYCJALGSA-N 1 0 311.385 3.158 50 0 DGAARO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000096476407 431952933 /nfs/dbraw/zinc/95/29/33/431952933.db2.gz LUISGDMLCAGNMQ-GFCCVEGCSA-N 1 0 314.351 3.369 50 0 DGAARO CCCC(=O)Nc1cccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000096487562 431953701 /nfs/dbraw/zinc/95/37/01/431953701.db2.gz YESRWVZPZNYVEB-BBRMVZONSA-N 1 0 301.434 3.462 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000096490992 431954113 /nfs/dbraw/zinc/95/41/13/431954113.db2.gz CZNAUZLKYAURTG-KBPBESRZSA-N 1 0 302.418 3.112 50 0 DGAARO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1cccnc1 ZINC000097038846 431957274 /nfs/dbraw/zinc/95/72/74/431957274.db2.gz WZQILQPUBRGNOZ-CQSZACIVSA-N 1 0 312.417 3.123 50 0 DGAARO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc2ccccc2o1 ZINC000097038995 431957382 /nfs/dbraw/zinc/95/73/82/431957382.db2.gz VPZBWVWQRPQORI-ZFWWWQNUSA-N 1 0 317.385 3.006 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2ccc(F)cc2c1C ZINC000052819789 431958356 /nfs/dbraw/zinc/95/83/56/431958356.db2.gz VJFNZHGADGMRBC-CYBMUJFWSA-N 1 0 304.365 3.094 50 0 DGAARO Cn1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(C2CCCCC2)n1 ZINC000097086496 431960465 /nfs/dbraw/zinc/96/04/65/431960465.db2.gz GIWHBRZMQNUZRH-HNNXBMFYSA-N 1 0 316.493 3.042 50 0 DGAARO Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)[nH+]1 ZINC000097096505 431960989 /nfs/dbraw/zinc/96/09/89/431960989.db2.gz DLIRIISBTXAILU-UHFFFAOYSA-N 1 0 309.413 3.354 50 0 DGAARO Cn1cc(CN[C@H]2CC[C@@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000097106912 431961204 /nfs/dbraw/zinc/96/12/04/431961204.db2.gz FNVGDSFFIAXCEL-DLBZAZTESA-N 1 0 304.482 3.040 50 0 DGAARO Cc1ccc([C@H](C)[N@H+](C)Cc2cc(=O)n3ccsc3n2)s1 ZINC000053213084 431961910 /nfs/dbraw/zinc/96/19/10/431961910.db2.gz IIMSKKDHVGHNKX-NSHDSACASA-N 1 0 319.455 3.319 50 0 DGAARO Cc1csc([C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C2CC2)n1 ZINC000097110105 431962135 /nfs/dbraw/zinc/96/21/35/431962135.db2.gz MZAHVEOURSYXCT-GJZGRUSLSA-N 1 0 306.406 3.365 50 0 DGAARO O=c1[nH]c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000097139473 431962762 /nfs/dbraw/zinc/96/27/62/431962762.db2.gz INLNDRBFKOYQCK-OAHLLOKOSA-N 1 0 311.410 3.322 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000097159579 431963354 /nfs/dbraw/zinc/96/33/54/431963354.db2.gz YVFTURIKJZDYEC-HNNXBMFYSA-N 1 0 307.825 3.020 50 0 DGAARO Cc1ccc(-c2n[nH]cc2CNC2CC[NH+](CC(C)C)CC2)o1 ZINC000097159588 431963576 /nfs/dbraw/zinc/96/35/76/431963576.db2.gz BTAWIEGNDOTGDF-UHFFFAOYSA-N 1 0 316.449 3.188 50 0 DGAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1c(F)cccc1Cl)CC2 ZINC000097199359 431963890 /nfs/dbraw/zinc/96/38/90/431963890.db2.gz MKTFYOKLZLXRTK-NSHDSACASA-N 1 0 322.815 3.299 50 0 DGAARO C[N@H+](Cc1nc2ccccc2[nH]c1=O)[C@H]1CCc2ccccc21 ZINC000097201329 431964565 /nfs/dbraw/zinc/96/45/65/431964565.db2.gz SEWQKHRYDCUUQP-SFHVURJKSA-N 1 0 305.381 3.042 50 0 DGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CCCC2)C1 ZINC000053749829 431964986 /nfs/dbraw/zinc/96/49/86/431964986.db2.gz PFZHENLRFBQMPE-PBHICJAKSA-N 1 0 301.434 3.064 50 0 DGAARO Cn1ccc(C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)cc1=O ZINC000053644011 431965054 /nfs/dbraw/zinc/96/50/54/431965054.db2.gz LSCCKZSHZSFKHY-QGZVFWFLSA-N 1 0 302.393 3.401 50 0 DGAARO CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000097229024 431965241 /nfs/dbraw/zinc/96/52/41/431965241.db2.gz PXNFICQFUHTLEC-SFHVURJKSA-N 1 0 323.440 3.016 50 0 DGAARO CSc1ccc(Cl)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000097235541 431965755 /nfs/dbraw/zinc/96/57/55/431965755.db2.gz FVUFHMQSGQPCKQ-UHFFFAOYSA-N 1 0 313.854 3.231 50 0 DGAARO C[C@H](CO)[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000097234071 431966104 /nfs/dbraw/zinc/96/61/04/431966104.db2.gz HBXQXDDKKSURLU-YGRLFVJLSA-N 1 0 310.191 3.102 50 0 DGAARO O[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000053945771 431966322 /nfs/dbraw/zinc/96/63/22/431966322.db2.gz JDTFQALJQQDYMB-QGZVFWFLSA-N 1 0 311.360 3.039 50 0 DGAARO Cc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c(C)o1 ZINC000097373930 431968014 /nfs/dbraw/zinc/96/80/14/431968014.db2.gz YAJHXSYILUESAK-CYBMUJFWSA-N 1 0 300.402 3.449 50 0 DGAARO Cc1ccccc1C1CC([NH2+][C@@H](C)C(=O)NCc2ccco2)C1 ZINC000097371149 431968056 /nfs/dbraw/zinc/96/80/56/431968056.db2.gz NKHCFFKVNMXXSL-FHERZECASA-N 1 0 312.413 3.129 50 0 DGAARO C[C@@H](CC1CC1)[NH+]1CCC(n2cc(-c3cccnc3)nn2)CC1 ZINC000055382710 431981277 /nfs/dbraw/zinc/98/12/77/431981277.db2.gz XEFDZTWHVZIQHZ-AWEZNQCLSA-N 1 0 311.433 3.166 50 0 DGAARO Cc1ccc2c(C[N@H+]3CCSCC[C@@H]3C)cc(=O)oc2c1 ZINC000170616728 281045906 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Cc1occc1-c1cc(NC(=O)C2CC[NH+](C3CC3)CC2)no1 ZINC000252478577 432378250 /nfs/dbraw/zinc/37/82/50/432378250.db2.gz APUXCAOFRXLLLD-UHFFFAOYSA-N 1 0 315.373 3.056 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000252496600 432379773 /nfs/dbraw/zinc/37/97/73/432379773.db2.gz PMRZOBMWZYNEMI-LNLFQRSKSA-N 1 0 307.478 3.496 50 0 DGAARO COc1cccc([C@@H]([NH2+]C[C@@H]2CCC=CO2)c2ccccn2)c1 ZINC000252494029 432380041 /nfs/dbraw/zinc/38/00/41/432380041.db2.gz NITGOSNGQYHLBL-PKOBYXMFSA-N 1 0 310.397 3.462 50 0 DGAARO COc1ccccc1C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000252511770 432381608 /nfs/dbraw/zinc/38/16/08/432381608.db2.gz KKTTWWYPHKCWET-IAOVAPTHSA-N 1 0 301.430 3.130 50 0 DGAARO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc(Br)cc1F ZINC000252587408 432382646 /nfs/dbraw/zinc/38/26/46/432382646.db2.gz YBCJOEIPGUGILT-GSRNSYJJSA-N 1 0 322.243 3.006 50 0 DGAARO COc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000252515854 432382914 /nfs/dbraw/zinc/38/29/14/432382914.db2.gz 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COc1ccc(-n2nc(-c3ccccc3)nc2[C@H]2C=CC[NH2+]2)cc1 ZINC000067934292 432046760 /nfs/dbraw/zinc/04/67/60/432046760.db2.gz OHUQBBGODBIKOR-QGZVFWFLSA-N 1 0 318.380 3.143 50 0 DGAARO O=C(NCC[NH+]1CCCCC1)c1cc(Cl)ccc1Cl ZINC000005020843 181191496 /nfs/dbraw/zinc/19/14/96/181191496.db2.gz USSRCFOKQFFZHH-UHFFFAOYSA-N 1 0 301.217 3.209 50 0 DGAARO CCn1ccc2ccc(C[NH+]3CCC(CC(=O)NC)CC3)cc21 ZINC000067966519 432047697 /nfs/dbraw/zinc/04/76/97/432047697.db2.gz VEUYZTDNEZWVNB-UHFFFAOYSA-N 1 0 313.445 3.009 50 0 DGAARO c1ncc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)[nH]1 ZINC000067956276 432047992 /nfs/dbraw/zinc/04/79/92/432047992.db2.gz BSHVSNCILRKVJL-HNNXBMFYSA-N 1 0 307.401 3.179 50 0 DGAARO CCc1ccccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067982539 432049219 /nfs/dbraw/zinc/04/92/19/432049219.db2.gz VBFYBSXFLQBPAN-OAHLLOKOSA-N 1 0 312.413 3.094 50 0 DGAARO CCOC(=O)c1c2c(sc1NC(C)=O)C(C)(C)[NH2+]C(C)(C)C2 ZINC000005333608 181230488 /nfs/dbraw/zinc/23/04/88/181230488.db2.gz 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[NH3+]C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000237837937 202367154 /nfs/dbraw/zinc/36/71/54/202367154.db2.gz SQKUSNQSNILNNT-OLZOCXBDSA-N 1 0 313.228 3.047 50 0 DGAARO Cc1ccc(NC(=O)CC[N@@H+](C)C2CCSCC2)cc1F ZINC000244584377 202485353 /nfs/dbraw/zinc/48/53/53/202485353.db2.gz CYEVEEKAKXBKGZ-UHFFFAOYSA-N 1 0 310.438 3.290 50 0 DGAARO [NH3+][C@H]1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000178272430 283637929 /nfs/dbraw/zinc/63/79/29/283637929.db2.gz IAMVQQGRUSMRMC-QMMMGPOBSA-N 1 0 315.225 3.381 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)CC[NH+]2CCCCCCC2)cn1 ZINC000244774012 202495730 /nfs/dbraw/zinc/49/57/30/202495730.db2.gz PMNHXFFUYYZXFH-MRXNPFEDSA-N 1 0 303.450 3.223 50 0 DGAARO Cc1nc2c(s1)[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)CCC2 ZINC000090891120 192941158 /nfs/dbraw/zinc/94/11/58/192941158.db2.gz GTZXKYHIVIGPQP-YOEHRIQHSA-N 1 0 320.433 3.465 50 0 DGAARO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000006649851 181365359 /nfs/dbraw/zinc/36/53/59/181365359.db2.gz HJPMJYLHJNOKIC-SFHVURJKSA-N 1 0 319.445 3.331 50 0 DGAARO COc1cc(C[NH2+]CCO)ccc1OCc1ccc(Cl)cc1 ZINC000006858363 181398647 /nfs/dbraw/zinc/39/86/47/181398647.db2.gz SBJMTYCCHNVXMO-UHFFFAOYSA-N 1 0 321.804 3.010 50 0 DGAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000091365256 193045995 /nfs/dbraw/zinc/04/59/95/193045995.db2.gz LIKAQAPJKYQEPZ-KRWDZBQOSA-N 1 0 317.408 3.140 50 0 DGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OCC)C2 ZINC000091426935 193053762 /nfs/dbraw/zinc/05/37/62/193053762.db2.gz JHKZDVQGDXVJRC-HZPDHXFCSA-N 1 0 316.445 3.032 50 0 DGAARO CCc1cc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)ccn1 ZINC000091550455 193072905 /nfs/dbraw/zinc/07/29/05/193072905.db2.gz VLNJDYJZIGNBBC-GOSISDBHSA-N 1 0 315.461 3.125 50 0 DGAARO [NH3+][C@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C[C@@H]1C1CC1 ZINC000091595644 193077343 /nfs/dbraw/zinc/07/73/43/193077343.db2.gz PXDAHHXVPYSOCP-MOPGFXCFSA-N 1 0 324.399 3.302 50 0 DGAARO C[NH+](C)[C@H](CNc1cc(C2CC2)ncn1)c1ccc(F)cc1 ZINC000091657370 193085850 /nfs/dbraw/zinc/08/58/50/193085850.db2.gz ABHDBDWPYLMGMW-MRXNPFEDSA-N 1 0 300.381 3.208 50 0 DGAARO CNC(=O)CC[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091943325 193129809 /nfs/dbraw/zinc/12/98/09/193129809.db2.gz BBJAUBVITASYOD-UHFFFAOYSA-N 1 0 322.452 3.205 50 0 DGAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(F)c(Cl)c1)C2 ZINC000092038339 193145536 /nfs/dbraw/zinc/14/55/36/193145536.db2.gz NKULTTUSFPMWPQ-ZYHUDNBSSA-N 1 0 311.788 3.037 50 0 DGAARO CCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000215172688 201452345 /nfs/dbraw/zinc/45/23/45/201452345.db2.gz HGAZHJMIRLORPM-DOMZBBRYSA-N 1 0 324.852 3.215 50 0 DGAARO COc1ccc(CN2CCCC[C@H]2C[NH+]2CCCC2)cc1F ZINC000216311292 201488394 /nfs/dbraw/zinc/48/83/94/201488394.db2.gz QHWLSRDUOMJZQA-INIZCTEOSA-N 1 0 306.425 3.285 50 0 DGAARO C[C@@H]1CN(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CCO1 ZINC000092079573 193154533 /nfs/dbraw/zinc/15/45/33/193154533.db2.gz LEDUHAHJXJZCRB-WOMSROEHSA-N 1 0 318.436 3.024 50 0 DGAARO O=C(CCc1ccc(F)cc1F)NCCC12CCC[NH+]1CCC2 ZINC000220685499 201579965 /nfs/dbraw/zinc/57/99/65/201579965.db2.gz YVVFTTTXHSQXBJ-UHFFFAOYSA-N 1 0 322.399 3.032 50 0 DGAARO CC(C)Oc1ccc(NC(=O)C23CCC[NH+]2CCC3)c(F)c1 ZINC000252486223 202843125 /nfs/dbraw/zinc/84/31/25/202843125.db2.gz HJRQPZLOCLKPRN-UHFFFAOYSA-N 1 0 306.381 3.180 50 0 DGAARO Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)on2)cc1 ZINC000119041296 284133150 /nfs/dbraw/zinc/13/31/50/284133150.db2.gz NIOJTVPRUHFSPD-QGZVFWFLSA-N 1 0 300.402 3.385 50 0 DGAARO O=S(=O)(CC[NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000095950306 193456325 /nfs/dbraw/zinc/45/63/25/193456325.db2.gz CHBSRGWVOQKENC-SFHVURJKSA-N 1 0 315.438 3.128 50 0 DGAARO CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000095971532 193467828 /nfs/dbraw/zinc/46/78/28/193467828.db2.gz LBERZQRMYIPLKP-IBGZPJMESA-N 1 0 324.424 3.439 50 0 DGAARO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCc1nnc2ccccn21 ZINC000095982148 193476401 /nfs/dbraw/zinc/47/64/01/193476401.db2.gz UGUQAWRNSVXFFL-HOCLYGCPSA-N 1 0 306.413 3.418 50 0 DGAARO Cc1ccc2nc(C[NH2+][C@@H]3CCCc4ccccc43)cc(=O)n2c1 ZINC000007985959 181515863 /nfs/dbraw/zinc/51/58/63/181515863.db2.gz VWDYYTRAAARZOM-GOSISDBHSA-N 1 0 319.408 3.170 50 0 DGAARO CCCC[N@@H+]1CCc2nc(Nc3ccc(OC)cc3)ncc2C1 ZINC000015778913 182016667 /nfs/dbraw/zinc/01/66/67/182016667.db2.gz UARGLJHQKHEBBA-UHFFFAOYSA-N 1 0 312.417 3.387 50 0 DGAARO C[N@H+](CC(=O)NCc1cccs1)[C@H]1CCCc2ccccc21 ZINC000016342746 182041861 /nfs/dbraw/zinc/04/18/61/182041861.db2.gz IVBZBIHKESBPQK-KRWDZBQOSA-N 1 0 314.454 3.374 50 0 DGAARO CSc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599116 182051456 /nfs/dbraw/zinc/05/14/56/182051456.db2.gz IMTSQMKLESKDHZ-MRXNPFEDSA-N 1 0 314.454 3.441 50 0 DGAARO Cc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000016606440 182053132 /nfs/dbraw/zinc/05/31/32/182053132.db2.gz JLESVXZONUFUML-UHFFFAOYSA-N 1 0 300.446 3.220 50 0 DGAARO COc1ccc(C[NH2+][C@H]2COc3ccccc3C2)c(OC)c1C ZINC000019743154 182141905 /nfs/dbraw/zinc/14/19/05/182141905.db2.gz BWGFLJXQTLMTSZ-MRXNPFEDSA-N 1 0 313.397 3.106 50 0 DGAARO COc1cccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000019782035 182148097 /nfs/dbraw/zinc/14/80/97/182148097.db2.gz NMURAKOAAIUIJR-UHFFFAOYSA-N 1 0 310.441 3.321 50 0 DGAARO COc1cccc(C[NH2+]C[C@]2(c3cccc(F)c3)CCOC2)c1 ZINC000019791334 182149506 /nfs/dbraw/zinc/14/95/06/182149506.db2.gz LIYWPAYYXHZRCE-LJQANCHMSA-N 1 0 315.388 3.282 50 0 DGAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019823727 182154069 /nfs/dbraw/zinc/15/40/69/182154069.db2.gz VYJRDEQMWRROLG-ZDUSSCGKSA-N 1 0 308.853 3.467 50 0 DGAARO c1ccc2c(c1)cccc2C[NH+]1CCC(N2CCOCC2)CC1 ZINC000019889180 182160861 /nfs/dbraw/zinc/16/08/61/182160861.db2.gz BDJVRHYEISNCEP-UHFFFAOYSA-N 1 0 310.441 3.136 50 0 DGAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccco3)CC2)cc1 ZINC000020102865 182187078 /nfs/dbraw/zinc/18/70/78/182187078.db2.gz JDGVBKLFPVNNQH-UHFFFAOYSA-N 1 0 312.413 3.116 50 0 DGAARO CC[NH+]1CCN(CCCOc2cc(C)c(Cl)cc2C)CC1 ZINC000020390318 182213945 /nfs/dbraw/zinc/21/39/45/182213945.db2.gz NKPGEJNELCDPAB-UHFFFAOYSA-N 1 0 310.869 3.363 50 0 DGAARO COc1ccc(C[NH2+]Cc2cc(Br)cs2)cn1 ZINC000020475159 182221338 /nfs/dbraw/zinc/22/13/38/182221338.db2.gz DBQWDIFLJKETCU-UHFFFAOYSA-N 1 0 313.220 3.204 50 0 DGAARO CCC(=O)c1ccccc1OCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020639737 182241252 /nfs/dbraw/zinc/24/12/52/182241252.db2.gz NRFGSXUZXAFXPS-GJZGRUSLSA-N 1 0 305.418 3.157 50 0 DGAARO CCC(=O)c1ccc(OCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020639710 182241400 /nfs/dbraw/zinc/24/14/00/182241400.db2.gz MJTACYNTVMKCPC-HUUCEWRRSA-N 1 0 305.418 3.157 50 0 DGAARO CC(C)CC[C@H](CC[NH2+]CCN1CCOCC1)c1ccco1 ZINC000020589708 182235595 /nfs/dbraw/zinc/23/55/95/182235595.db2.gz HSBNMNSKYWWRDK-QGZVFWFLSA-N 1 0 308.466 3.111 50 0 DGAARO C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000021670768 182283215 /nfs/dbraw/zinc/28/32/15/182283215.db2.gz VLZHKZHVGVXWQY-MCIONIFRSA-N 1 0 308.853 3.323 50 0 DGAARO Cc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021783219 182288405 /nfs/dbraw/zinc/28/84/05/182288405.db2.gz OQBQHJFSYLZWGF-UHFFFAOYSA-N 1 0 309.413 3.175 50 0 DGAARO COc1ccccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000021835691 182294340 /nfs/dbraw/zinc/29/43/40/182294340.db2.gz HZSVIMPHWUINRK-INIZCTEOSA-N 1 0 313.401 3.120 50 0 DGAARO CN(C)C(=[NH2+])SCc1cc(Cl)c2c(c1)OCCCO2 ZINC000022727765 182331580 /nfs/dbraw/zinc/33/15/80/182331580.db2.gz LTXQBHKGGJHCJS-UHFFFAOYSA-N 1 0 300.811 3.231 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccsc1 ZINC000022766857 182333657 /nfs/dbraw/zinc/33/36/57/182333657.db2.gz SKXCHUCDPPPRDB-AWEZNQCLSA-N 1 0 307.394 3.312 50 0 DGAARO COc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000022766879 182333689 /nfs/dbraw/zinc/33/36/89/182333689.db2.gz CZCBCUVIHXYMRG-HNNXBMFYSA-N 1 0 319.430 3.181 50 0 DGAARO COc1cc(C[NH2+][C@H](C)c2ccc(C)o2)cc(OC)c1OC ZINC000022793882 182334997 /nfs/dbraw/zinc/33/49/97/182334997.db2.gz FFLHPLKQKUCYNB-GFCCVEGCSA-N 1 0 305.374 3.465 50 0 DGAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)on1 ZINC000022911032 182339808 /nfs/dbraw/zinc/33/98/08/182339808.db2.gz HJQHZBFDYGZXHI-QWRGUYRKSA-N 1 0 307.781 3.314 50 0 DGAARO OC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000023281170 182355340 /nfs/dbraw/zinc/35/53/40/182355340.db2.gz RHKDZKIIJREWTM-LJQANCHMSA-N 1 0 311.425 3.470 50 0 DGAARO Cc1cccc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000023105575 182347541 /nfs/dbraw/zinc/34/75/41/182347541.db2.gz KUWCOKQHAPZWFN-OAHLLOKOSA-N 1 0 302.443 3.018 50 0 DGAARO Cc1ccccc1C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127999 182349166 /nfs/dbraw/zinc/34/91/66/182349166.db2.gz KCPVOUOUHYPPRU-UHFFFAOYSA-N 1 0 312.413 3.230 50 0 DGAARO COc1cccc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000023127968 182349173 /nfs/dbraw/zinc/34/91/73/182349173.db2.gz ATTQANIJMPLQOZ-UHFFFAOYSA-N 1 0 316.445 3.080 50 0 DGAARO CSCCC[N@@H+]1CCC[C@H](N(C)CCc2ccccc2)C1 ZINC000023358092 182357540 /nfs/dbraw/zinc/35/75/40/182357540.db2.gz RBHBUWYGFMORST-SFHVURJKSA-N 1 0 306.519 3.378 50 0 DGAARO Cc1ccc(NC(=O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000024602376 182385246 /nfs/dbraw/zinc/38/52/46/182385246.db2.gz QTRXIYOBHWXUSQ-UHFFFAOYSA-N 1 0 317.477 3.141 50 0 DGAARO CC(C)C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000032616958 182650704 /nfs/dbraw/zinc/65/07/04/182650704.db2.gz ODQVPSPPGKSBRB-UHFFFAOYSA-N 1 0 323.400 3.200 50 0 DGAARO C[N@@H+]1CCCC[C@H]1CCSc1nccc(C(F)(F)F)n1 ZINC000032903558 182676483 /nfs/dbraw/zinc/67/64/83/182676483.db2.gz NYWGOPNGTHEIPN-JTQLQIEISA-N 1 0 305.369 3.462 50 0 DGAARO CN(Cc1cccs1)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000040049900 183029951 /nfs/dbraw/zinc/02/99/51/183029951.db2.gz BDWGVDOSMAKCMU-KRWDZBQOSA-N 1 0 314.454 3.326 50 0 DGAARO O=C(NCCC[NH+]1CCCCC1)c1csc(-c2ccco2)n1 ZINC000040052434 183029971 /nfs/dbraw/zinc/02/99/71/183029971.db2.gz HHAIAXQDJPWDHT-UHFFFAOYSA-N 1 0 319.430 3.009 50 0 DGAARO O=C(/C=C/c1ccco1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000040160815 183041195 /nfs/dbraw/zinc/04/11/95/183041195.db2.gz VOJQHFZOBPGTAR-FDMDGMSGSA-N 1 0 314.385 3.229 50 0 DGAARO O=C(CCCc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040107263 183036313 /nfs/dbraw/zinc/03/63/13/183036313.db2.gz UPKORVHKLVWYLR-FQEVSTJZSA-N 1 0 322.452 3.400 50 0 DGAARO CCc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000040460977 183069808 /nfs/dbraw/zinc/06/98/08/183069808.db2.gz NJRDAEMJRXJIIU-OAHLLOKOSA-N 1 0 321.424 3.416 50 0 DGAARO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC=CCC2)CC1 ZINC000042127314 183234306 /nfs/dbraw/zinc/23/43/06/183234306.db2.gz QHHLMPVFKPEIOW-KRWDZBQOSA-N 1 0 312.457 3.432 50 0 DGAARO CCC[NH+]1CCC(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000053371387 183899956 /nfs/dbraw/zinc/89/99/56/183899956.db2.gz XPLAMQGZVKHODZ-YOEHRIQHSA-N 1 0 318.461 3.326 50 0 DGAARO CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000057030933 184025266 /nfs/dbraw/zinc/02/52/66/184025266.db2.gz UFQXWWMVZFBYEI-HNNXBMFYSA-N 1 0 313.445 3.265 50 0 DGAARO Cc1ccc(NC(=O)[C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)cc1 ZINC000057024245 184024914 /nfs/dbraw/zinc/02/49/14/184024914.db2.gz NTFKDVRIEMNYBT-MOPGFXCFSA-N 1 0 324.424 3.443 50 0 DGAARO COc1ccc2ccccc2c1C[NH2+]CCOc1ccccn1 ZINC000057356045 184036273 /nfs/dbraw/zinc/03/62/73/184036273.db2.gz UBUHUCLEJTVUFU-UHFFFAOYSA-N 1 0 308.381 3.412 50 0 DGAARO Cc1ccc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)o1 ZINC000058023393 184069067 /nfs/dbraw/zinc/06/90/67/184069067.db2.gz ZHWKTCFOYGPLSN-MDZDMXLPSA-N 1 0 316.401 3.093 50 0 DGAARO COc1ccc(C)cc1NC(=O)C[NH2+]Cc1cccc(Cl)c1 ZINC000058161144 184082866 /nfs/dbraw/zinc/08/28/66/184082866.db2.gz MIPMHJBCAQXAPB-UHFFFAOYSA-N 1 0 318.804 3.385 50 0 DGAARO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000058224790 184090284 /nfs/dbraw/zinc/09/02/84/184090284.db2.gz SEXSSWQVKBHOQE-CYBMUJFWSA-N 1 0 314.401 3.102 50 0 DGAARO Cc1ccccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058226360 184090900 /nfs/dbraw/zinc/09/09/00/184090900.db2.gz KZPRGHDKOOEMBX-UHFFFAOYSA-N 1 0 300.446 3.379 50 0 DGAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC ZINC000058155693 184081597 /nfs/dbraw/zinc/08/15/97/184081597.db2.gz ATCCKANBYDFCQL-MRXNPFEDSA-N 1 0 318.461 3.470 50 0 DGAARO CC[N@@H+]1CCC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000058275433 184098113 /nfs/dbraw/zinc/09/81/13/184098113.db2.gz DLEVFERMNAJSCI-CQSZACIVSA-N 1 0 320.864 3.220 50 0 DGAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1CCC1 ZINC000058282919 184099964 /nfs/dbraw/zinc/09/99/64/184099964.db2.gz BWBFGTACKSABMB-UHFFFAOYSA-N 1 0 304.459 3.282 50 0 DGAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cccc2ccccc21 ZINC000058296382 184102229 /nfs/dbraw/zinc/10/22/29/184102229.db2.gz SIVHCJXOISTWKQ-GJZGRUSLSA-N 1 0 306.413 3.429 50 0 DGAARO CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccccc2O)c1 ZINC000060344222 184146551 /nfs/dbraw/zinc/14/65/51/184146551.db2.gz JLOJCGZXZTYQJA-UHFFFAOYSA-N 1 0 312.413 3.415 50 0 DGAARO O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)NC1CCCC1 ZINC000060460282 184149475 /nfs/dbraw/zinc/14/94/75/184149475.db2.gz JGMZTODPQIGFTM-UHFFFAOYSA-N 1 0 314.473 3.390 50 0 DGAARO c1nnc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1-c1ccccc1 ZINC000065287918 184322721 /nfs/dbraw/zinc/32/27/21/184322721.db2.gz UPOHYIFMBWVXPT-QGZVFWFLSA-N 1 0 319.412 3.042 50 0 DGAARO C[N@H+](CCc1ccncc1)Cc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065288502 184323244 /nfs/dbraw/zinc/32/32/44/184323244.db2.gz RLKPYQCBUOIIHK-UHFFFAOYSA-N 1 0 310.376 3.285 50 0 DGAARO CCOc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000065362570 184328305 /nfs/dbraw/zinc/32/83/05/184328305.db2.gz PMDIATPGLZAIHH-HZPDHXFCSA-N 1 0 318.461 3.183 50 0 DGAARO COc1ccccc1C[C@H](C)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000065371175 184330174 /nfs/dbraw/zinc/33/01/74/184330174.db2.gz OLSGXVSVHYKSDA-QWHCGFSZSA-N 1 0 303.406 3.483 50 0 DGAARO C[C@H](CCc1ccccc1)[NH2+]CCc1nc(-c2cccnc2)no1 ZINC000065383324 184332456 /nfs/dbraw/zinc/33/24/56/184332456.db2.gz CWFPFHBVYACBCV-OAHLLOKOSA-N 1 0 322.412 3.285 50 0 DGAARO COc1ccc(-n2cc(C3=CC[N@H+](CCCF)CC3)cn2)cc1 ZINC000065409050 184339448 /nfs/dbraw/zinc/33/94/48/184339448.db2.gz YIBHUKBRDZFZAZ-UHFFFAOYSA-N 1 0 315.392 3.330 50 0 DGAARO O=C(C[NH+]1CCCCCC1)N1CCCC[C@@H]1c1cccnc1 ZINC000065420976 184341697 /nfs/dbraw/zinc/34/16/97/184341697.db2.gz XVJHKPZIQDTQHG-QGZVFWFLSA-N 1 0 301.434 3.011 50 0 DGAARO C[N@H+](Cc1cc(-c2cccnc2)no1)C1Cc2ccccc2C1 ZINC000065395909 184335473 /nfs/dbraw/zinc/33/54/73/184335473.db2.gz LBZXMURXCOEWNM-UHFFFAOYSA-N 1 0 305.381 3.336 50 0 DGAARO Cc1ncsc1CCC[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000065527562 184360435 /nfs/dbraw/zinc/36/04/35/184360435.db2.gz ZALXRWPPPUGFMB-UHFFFAOYSA-N 1 0 317.458 3.229 50 0 DGAARO Cc1cccc(OCCCNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000065538947 184362896 /nfs/dbraw/zinc/36/28/96/184362896.db2.gz YCGWSMBUODOKPX-IXDOHACOSA-N 1 0 318.461 3.141 50 0 DGAARO C[N@@H+]1CCC[C@@H]1CNC(=O)CCSc1ccc(Cl)cc1 ZINC000065590710 184369808 /nfs/dbraw/zinc/36/98/08/184369808.db2.gz AJCISCKDXJPSOP-CYBMUJFWSA-N 1 0 312.866 3.033 50 0 DGAARO CC[C@H](c1nc(C(C)C)nn1-c1cc[nH+]cc1C)n1cccn1 ZINC000065503666 184356229 /nfs/dbraw/zinc/35/62/29/184356229.db2.gz BHEYQOIDBQXPOU-CQSZACIVSA-N 1 0 310.405 3.290 50 0 DGAARO CC[C@@H](c1nc(C(C)C)nn1-c1cc[nH+]cc1C)n1cccn1 ZINC000065503660 184356377 /nfs/dbraw/zinc/35/63/77/184356377.db2.gz BHEYQOIDBQXPOU-AWEZNQCLSA-N 1 0 310.405 3.290 50 0 DGAARO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000269214478 207333626 /nfs/dbraw/zinc/33/36/26/207333626.db2.gz JIWJACOIEXHNFS-RYRKJORJSA-N 1 0 300.446 3.484 50 0 DGAARO Cc1ccc(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)c(C)o2)s1 ZINC000067433380 184466896 /nfs/dbraw/zinc/46/68/96/184466896.db2.gz ANVXGTLICORSEW-MNOVXSKESA-N 1 0 305.447 3.202 50 0 DGAARO C[C@@H]1CCCC[C@H]1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000007570380 296356950 /nfs/dbraw/zinc/35/69/50/296356950.db2.gz DXMZXLDBDTUPSJ-TZMCWYRMSA-N 1 0 311.539 3.338 50 0 DGAARO C/C=C1/C[NH+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000252497856 257214944 /nfs/dbraw/zinc/21/49/44/257214944.db2.gz DTEXULLZKFAGHZ-NXSFWEKPSA-N 1 0 324.424 3.317 50 0 DGAARO COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000073350855 257253790 /nfs/dbraw/zinc/25/37/90/257253790.db2.gz BKBYWEQBTCXFKS-HNNXBMFYSA-N 1 0 312.369 3.178 50 0 DGAARO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ccc(Cl)cn1 ZINC000239882135 257259798 /nfs/dbraw/zinc/25/97/98/257259798.db2.gz DAMMBFGWLWZLTM-YUELXQCFSA-N 1 0 309.841 3.036 50 0 DGAARO O=[n+]1c(-c2cccc(C(F)(F)F)c2)cn(O)c2c1CCCC2 ZINC000334157237 257261901 /nfs/dbraw/zinc/26/19/01/257261901.db2.gz DBJZRXLQCPCOHH-UHFFFAOYSA-N 1 0 311.283 3.205 50 0 DGAARO CCSCCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000071909301 184900458 /nfs/dbraw/zinc/90/04/58/184900458.db2.gz AFGNPFJFVDXKPN-HNNXBMFYSA-N 1 0 320.502 3.471 50 0 DGAARO CC1(C)[C@H]([NH2+]CCn2cnnc2C2CC2)C[C@@H]1c1ccccc1 ZINC000123530906 195593179 /nfs/dbraw/zinc/59/31/79/195593179.db2.gz GLARDDHVCWTSKI-IAGOWNOFSA-N 1 0 310.445 3.327 50 0 DGAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H](OCC)C(C)C)C[C@@H]1C ZINC000222044180 285875262 /nfs/dbraw/zinc/87/52/62/285875262.db2.gz 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/nfs/dbraw/zinc/12/41/54/400124154.db2.gz FQSRZVCWPXURFZ-SCTDSRPQSA-N 1 0 322.452 3.461 50 0 DGAARO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ncc(Cl)n1C ZINC000585134723 400127410 /nfs/dbraw/zinc/12/74/10/400127410.db2.gz HPBPOGIFLMZVMR-CHWSQXEVSA-N 1 0 322.840 3.154 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ncc(Cl)n1C ZINC000585134724 400127641 /nfs/dbraw/zinc/12/76/41/400127641.db2.gz HPBPOGIFLMZVMR-OLZOCXBDSA-N 1 0 322.840 3.154 50 0 DGAARO CC(C)c1nnc2n1C[C@H](C[NH2+]C/C=C\c1ccccc1)CC2 ZINC000097301502 400284086 /nfs/dbraw/zinc/28/40/86/400284086.db2.gz GBOJEVYLPUZXTB-SKHCZCESSA-N 1 0 310.445 3.267 50 0 DGAARO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(n2cncn2)CC1 ZINC000097370752 400284230 /nfs/dbraw/zinc/28/42/30/400284230.db2.gz FLBRYBWRULXFPQ-CQSZACIVSA-N 1 0 302.397 3.075 50 0 DGAARO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H]3CCSC3)CCN2C2CC2)c1 ZINC000097234016 400284654 /nfs/dbraw/zinc/28/46/54/400284654.db2.gz XYEMDGFQZUDOKC-FHLIZLRMSA-N 1 0 318.486 3.068 50 0 DGAARO O=C(c1ccc(C[NH2+][C@@H]2CCCSC2)cc1)N1CCCCC1 ZINC000097370919 400284762 /nfs/dbraw/zinc/28/47/62/400284762.db2.gz ORQHSSCKOOMKLM-QGZVFWFLSA-N 1 0 318.486 3.298 50 0 DGAARO C[C@@H]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@@H]1C ZINC000097379710 400285797 /nfs/dbraw/zinc/28/57/97/400285797.db2.gz NZESBEXDLJZPLV-PMPSAXMXSA-N 1 0 304.482 3.351 50 0 DGAARO CC(=O)NC1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000097379283 400286093 /nfs/dbraw/zinc/28/60/93/400286093.db2.gz TWOGGQCOAPOWQH-UHFFFAOYSA-N 1 0 306.372 3.144 50 0 DGAARO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1nccnc1F ZINC000404305504 400295377 /nfs/dbraw/zinc/29/53/77/400295377.db2.gz HSZGCGJVCXSEOP-SOUVJXGZSA-N 1 0 314.408 3.103 50 0 DGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000072298459 400379931 /nfs/dbraw/zinc/37/99/31/400379931.db2.gz OOYIGHQCFQCKBG-HNNXBMFYSA-N 1 0 301.438 3.022 50 0 DGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cnc2cc(C)ccn12 ZINC000072298383 400380489 /nfs/dbraw/zinc/38/04/89/400380489.db2.gz 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3.127 50 0 DGAARO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1c[nH]nc1C)O[C@@H](C)C2 ZINC000180014033 400881511 /nfs/dbraw/zinc/88/15/11/400881511.db2.gz HDMWDCPXDLVJGG-RYUDHWBXSA-N 1 0 315.417 3.291 50 0 DGAARO CCOc1cc2c(cc1C[NH2+][C@H](C)c1c[nH]nc1C)O[C@@H](C)C2 ZINC000180014051 400882017 /nfs/dbraw/zinc/88/20/17/400882017.db2.gz HDMWDCPXDLVJGG-NWDGAFQWSA-N 1 0 315.417 3.291 50 0 DGAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000078898044 400831345 /nfs/dbraw/zinc/83/13/45/400831345.db2.gz RNIYGYSAPFHTLF-BDJLRTHQSA-N 1 0 324.827 3.216 50 0 DGAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cc(F)ccc1F ZINC000078896977 400831925 /nfs/dbraw/zinc/83/19/25/400831925.db2.gz XIRBSCIULUCRRS-PEBVRCNWSA-N 1 0 322.399 3.262 50 0 DGAARO Cc1n[nH]cc1C[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000079014950 400840289 /nfs/dbraw/zinc/84/02/89/400840289.db2.gz MQLASMJYJVGHDL-SNVBAGLBSA-N 1 0 324.222 3.038 50 0 DGAARO CCOc1ccccc1C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000080366824 400944783 /nfs/dbraw/zinc/94/47/83/400944783.db2.gz GJWUPJUXTHVFLW-NRFANRHFSA-N 1 0 303.427 3.113 50 0 DGAARO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185000764 400904834 /nfs/dbraw/zinc/90/48/34/400904834.db2.gz LODWJYGSULRZHK-ZDUSSCGKSA-N 1 0 308.385 3.194 50 0 DGAARO O=C(Nc1cccs1)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000606440540 400913061 /nfs/dbraw/zinc/91/30/61/400913061.db2.gz ACVQQCRHQJYZLZ-GFCCVEGCSA-N 1 0 307.444 3.206 50 0 DGAARO Oc1cccc(C[N@@H+](C[C@@H]2CCC=CO2)C2CCC(O)CC2)c1 ZINC000193829614 400918616 /nfs/dbraw/zinc/91/86/16/400918616.db2.gz NGWZKKWVOABJBC-TVPLGVNVSA-N 1 0 317.429 3.190 50 0 DGAARO COc1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1O ZINC000194995374 400922585 /nfs/dbraw/zinc/92/25/85/400922585.db2.gz STVOUIPZPJCIQQ-IBGZPJMESA-N 1 0 311.381 3.032 50 0 DGAARO O[C@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 ZINC000195560600 400925108 /nfs/dbraw/zinc/92/51/08/400925108.db2.gz UZMCAPVSEXKTNH-SJLPKXTDSA-N 1 0 312.344 3.226 50 0 DGAARO C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000195568606 400926653 /nfs/dbraw/zinc/92/66/53/400926653.db2.gz ZDWGQLAKDFWHBQ-GXTWGEPZSA-N 1 0 321.467 3.360 50 0 DGAARO Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC000248104845 401065319 /nfs/dbraw/zinc/06/53/19/401065319.db2.gz FRBDTGHNDFXITC-IAOVAPTHSA-N 1 0 304.434 3.085 50 0 DGAARO COc1cccc([C@@H]2[C@@H]([NH2+][C@H]3CCSC3)CCN2C2CC2)c1 ZINC000253370912 401098502 /nfs/dbraw/zinc/09/85/02/401098502.db2.gz XYEMDGFQZUDOKC-JCGIZDLHSA-N 1 0 318.486 3.068 50 0 DGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1 ZINC000005602540 292370108 /nfs/dbraw/zinc/37/01/08/292370108.db2.gz OVDAQVIEYIDYQE-IEBWSBKVSA-N 1 0 306.409 3.443 50 0 DGAARO CC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccncc1 ZINC000163711506 286920584 /nfs/dbraw/zinc/92/05/84/286920584.db2.gz KNQAJUOKOIXNTA-SMDDNHRTSA-N 1 0 323.238 3.170 50 0 DGAARO O=C1CCCCCN1CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129183283 196026390 /nfs/dbraw/zinc/02/63/90/196026390.db2.gz UKISDBUWRWBVRU-KBPBESRZSA-N 1 0 320.399 3.490 50 0 DGAARO CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129218058 196030459 /nfs/dbraw/zinc/03/04/59/196030459.db2.gz RLDUFMIBRFXVRI-ZIAGYGMSSA-N 1 0 314.351 3.257 50 0 DGAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000136475363 432155575 /nfs/dbraw/zinc/15/55/75/432155575.db2.gz ULGFMPIXDGJACU-GOEBONIOSA-N 1 0 324.424 3.429 50 0 DGAARO Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000129678015 196067643 /nfs/dbraw/zinc/06/76/43/196067643.db2.gz CDTXACRBCPQARF-ZFWWWQNUSA-N 1 0 318.442 3.462 50 0 DGAARO Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000129678212 196067715 /nfs/dbraw/zinc/06/77/15/196067715.db2.gz CDTXACRBCPQARF-HIFRSBDPSA-N 1 0 318.442 3.462 50 0 DGAARO Cc1ccc(-c2cccc(NC(=O)N3CC[C@H](C[NH3+])C3)c2)cc1 ZINC000299762644 229409715 /nfs/dbraw/zinc/40/97/15/229409715.db2.gz XZCOLVATGORFFC-OAHLLOKOSA-N 1 0 309.413 3.475 50 0 DGAARO COC[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006936875 274042253 /nfs/dbraw/zinc/04/22/53/274042253.db2.gz JYRYQKRUFMXQBK-HUUCEWRRSA-N 1 0 312.413 3.305 50 0 DGAARO OC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000242389476 275048787 /nfs/dbraw/zinc/04/87/87/275048787.db2.gz ZXMOQZQELRBDMB-VQISRLSMSA-N 1 0 310.235 3.187 50 0 DGAARO CC1(C)CC(NC(=O)N2CCc3ccccc3C2)CC(C)(C)[NH2+]1 ZINC000026180545 276100201 /nfs/dbraw/zinc/10/02/01/276100201.db2.gz QATJBBCEHNDPFU-UHFFFAOYSA-N 1 0 315.461 3.064 50 0 DGAARO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000069531338 276163790 /nfs/dbraw/zinc/16/37/90/276163790.db2.gz ACYHLXARHJTLEW-UHFFFAOYSA-N 1 0 317.820 3.056 50 0 DGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccco2)N3)C1 ZINC000006205607 276236832 /nfs/dbraw/zinc/23/68/32/276236832.db2.gz WPABIOSYIGEKBR-ZDUSSCGKSA-N 1 0 303.387 3.148 50 0 DGAARO CCC[NH+]1CCC(CC(=O)N2CCn3cccc3[C@H]2CC)CC1 ZINC000065469969 276257096 /nfs/dbraw/zinc/25/70/96/276257096.db2.gz MGXYFQZWLLHVCH-QGZVFWFLSA-N 1 0 317.477 3.294 50 0 DGAARO C[N@@H+]1CCC[C@H]1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000252508533 277079492 /nfs/dbraw/zinc/07/94/92/277079492.db2.gz XORAINNXYCFTIS-ZDUSSCGKSA-N 1 0 303.837 3.274 50 0 DGAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036095400 277381278 /nfs/dbraw/zinc/38/12/78/277381278.db2.gz NJPLNOKUPMIAGJ-QGZVFWFLSA-N 1 0 311.441 3.460 50 0 DGAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC ZINC000000211969 277929496 /nfs/dbraw/zinc/92/94/96/277929496.db2.gz ROOBULYVOVIYRW-SFHVURJKSA-N 1 0 308.381 3.420 50 0 biogenic DGAARO CSCc1nc(Cc2cccs2)nn1C1CC[NH+](C)CC1 ZINC000095530093 278140726 /nfs/dbraw/zinc/14/07/26/278140726.db2.gz OOWJQTHVJLWMPY-UHFFFAOYSA-N 1 0 322.503 3.060 50 0 DGAARO C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)[C@H](C)n1cccn1 ZINC000069368511 278359597 /nfs/dbraw/zinc/35/95/97/278359597.db2.gz MFRBMADNYULVNY-OLZOCXBDSA-N 1 0 313.430 3.141 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccccc2)c2ccccc12 ZINC000000038091 431114450 /nfs/dbraw/zinc/11/44/50/431114450.db2.gz FUYVUDCIMOEEJM-SFHVURJKSA-N 1 0 308.425 3.409 50 0 DGAARO O=C(CC[NH+]1CCCCC1)Nc1cccc(Br)c1 ZINC000000054960 431115796 /nfs/dbraw/zinc/11/57/96/431115796.db2.gz OPVBJKGUTOFVLF-UHFFFAOYSA-N 1 0 311.223 3.264 50 0 DGAARO Cc1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1 ZINC000000072762 431119975 /nfs/dbraw/zinc/11/99/75/431119975.db2.gz SNOJDAANBYTPRC-KRWDZBQOSA-N 1 0 304.459 3.055 50 0 DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000069453448 279034699 /nfs/dbraw/zinc/03/46/99/279034699.db2.gz MTYWYQPPLLJYOD-LSDHHAIUSA-N 1 0 309.417 3.321 50 0 DGAARO Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](C)CC2)n1 ZINC000008064139 279146791 /nfs/dbraw/zinc/14/67/91/279146791.db2.gz ZCRNMPBTXONLAQ-UHFFFAOYSA-N 1 0 324.453 3.419 50 0 DGAARO C[C@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCC1 ZINC000000177863 431139665 /nfs/dbraw/zinc/13/96/65/431139665.db2.gz ORNKBXGIUVRKEO-MRXNPFEDSA-N 1 0 300.446 3.099 50 0 DGAARO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000095369373 279320975 /nfs/dbraw/zinc/32/09/75/279320975.db2.gz PMIRNAAXHVCTAE-HZMVEIRTSA-N 1 0 307.482 3.129 50 0 DGAARO O=C(NCC[NH+]1CCCC1)c1sc2ccccc2c1Cl ZINC000000198874 431143464 /nfs/dbraw/zinc/14/34/64/431143464.db2.gz BFYWBQMHDPUANZ-UHFFFAOYSA-N 1 0 308.834 3.380 50 0 DGAARO CC(C(=O)NCC[NH+]1CCCC1)(c1ccccc1)c1ccccc1 ZINC000000383097 431173623 /nfs/dbraw/zinc/17/36/23/431173623.db2.gz PSXMVQPLYNAWFL-UHFFFAOYSA-N 1 0 322.452 3.205 50 0 DGAARO C[NH+](C)CCn1c(C(=O)Nc2ccccc2)cc2ccccc21 ZINC000000403667 431176426 /nfs/dbraw/zinc/17/64/26/431176426.db2.gz JRXNIBONLVRORU-UHFFFAOYSA-N 1 0 307.397 3.455 50 0 DGAARO CC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC000069348024 431178326 /nfs/dbraw/zinc/17/83/26/431178326.db2.gz YHSWINKKEOYAAY-SFHVURJKSA-N 1 0 302.462 3.343 50 0 DGAARO C[C@H]([C@H](C)[NH2+]Cc1c[nH]nc1-c1cccs1)n1cccn1 ZINC000069368641 431180559 /nfs/dbraw/zinc/18/05/59/431180559.db2.gz ZVSWDFXKYJTFKU-NWDGAFQWSA-N 1 0 301.419 3.074 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(-c2ccccc2)n1)[C@@H](C)n1cccn1 ZINC000069372202 431181537 /nfs/dbraw/zinc/18/15/37/431181537.db2.gz RSDBWRFKXXCWMT-HUUCEWRRSA-N 1 0 307.401 3.079 50 0 DGAARO C[C@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)[C@@H](c1ccccc1)[NH+](C)C ZINC000170597972 279427686 /nfs/dbraw/zinc/42/76/86/279427686.db2.gz QGFKMOXPRQFFMJ-GFIVTLFCSA-N 1 0 318.461 3.142 50 0 DGAARO COc1ccc([C@@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)cc1Cl ZINC000069442124 431187652 /nfs/dbraw/zinc/18/76/52/431187652.db2.gz ILHPIBCOHWIBHB-GFCCVEGCSA-N 1 0 324.852 3.210 50 0 DGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000069489419 431189885 /nfs/dbraw/zinc/18/98/85/431189885.db2.gz PWYNFXFDMHLXLO-IAGOWNOFSA-N 1 0 323.444 3.176 50 0 DGAARO O=C(c1ccc[nH]1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069461720 431190288 /nfs/dbraw/zinc/19/02/88/431190288.db2.gz VFHOLZJMMSXFPZ-OALUTQOASA-N 1 0 323.440 3.284 50 0 DGAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCCCC3)C1 ZINC000129186852 279439700 /nfs/dbraw/zinc/43/97/00/279439700.db2.gz SSEJVMFFPXUXBF-NEPJUHHUSA-N 1 0 316.371 3.215 50 0 DGAARO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000069491082 431191341 /nfs/dbraw/zinc/19/13/41/431191341.db2.gz HIFNBSBRSCOSTL-UHFFFAOYSA-N 1 0 313.376 3.071 50 0 DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000000214700 431148004 /nfs/dbraw/zinc/14/80/04/431148004.db2.gz NBHLEPWINPEOME-CYBMUJFWSA-N 1 0 310.388 3.045 50 0 DGAARO O=C(OCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000000210707 431148790 /nfs/dbraw/zinc/14/87/90/431148790.db2.gz RZLUFADQSCWCAX-UHFFFAOYSA-N 1 0 312.207 3.092 50 0 DGAARO C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000000239737 431149307 /nfs/dbraw/zinc/14/93/07/431149307.db2.gz LJHBSECKCFHWQS-YOEHRIQHSA-N 1 0 304.409 3.162 50 0 DGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000239168 431149611 /nfs/dbraw/zinc/14/96/11/431149611.db2.gz UKNPMJLUURMESN-CYBMUJFWSA-N 1 0 315.335 3.481 50 0 DGAARO CCOC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000000239567 431149985 /nfs/dbraw/zinc/14/99/85/431149985.db2.gz AZNPIQSTLPNVIB-UHFFFAOYSA-N 1 0 315.335 3.481 50 0 DGAARO COc1cc(Br)c(C[NH2+]C2CCCC2)cc1OC ZINC000000228101 431150612 /nfs/dbraw/zinc/15/06/12/431150612.db2.gz LZIBCFFQUNNHDZ-UHFFFAOYSA-N 1 0 314.223 3.499 50 0 DGAARO FC(F)(F)c1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000236619 431151825 /nfs/dbraw/zinc/15/18/25/431151825.db2.gz GNEGZJUHQFFVKT-UHFFFAOYSA-N 1 0 321.346 3.423 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000000283511 431159437 /nfs/dbraw/zinc/15/94/37/431159437.db2.gz DPHZTCZRKHWRBE-RHSMWYFYSA-N 1 0 304.409 3.162 50 0 DGAARO CC(C)c1nnc2n1C[C@H](C[NH2+]C/C=C/c1ccccc1)CC2 ZINC000069597863 431203734 /nfs/dbraw/zinc/20/37/34/431203734.db2.gz GBOJEVYLPUZXTB-NADMHLTPSA-N 1 0 310.445 3.267 50 0 DGAARO NC(=O)[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000000757351 431207898 /nfs/dbraw/zinc/20/78/98/431207898.db2.gz JWKJGHUMYCDKBL-SFHVURJKSA-N 1 0 308.425 3.016 50 0 DGAARO CCNC(=S)Nc1ccc(Cc2nc3ccccc3[nH]2)cc1 ZINC000000619762 431208200 /nfs/dbraw/zinc/20/82/00/431208200.db2.gz SWXYHDSHJUYQPZ-UHFFFAOYSA-N 1 0 310.426 3.460 50 0 DGAARO Cc1ccccc1CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069661391 431210824 /nfs/dbraw/zinc/21/08/24/431210824.db2.gz VZKSPXSARLYPDK-ROUUACIJSA-N 1 0 300.446 3.013 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000069739746 431216850 /nfs/dbraw/zinc/21/68/50/431216850.db2.gz VVSSICUYBXFLLN-RBUKOAKNSA-N 1 0 300.446 3.095 50 0 DGAARO O=C([C@@H]1CC=CCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069742155 431220702 /nfs/dbraw/zinc/22/07/02/431220702.db2.gz HQQZVJKPPLOKPG-QZTJIDSGSA-N 1 0 304.478 3.457 50 0 DGAARO Cc1cnn(CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)c1 ZINC000069810833 431222908 /nfs/dbraw/zinc/22/29/08/431222908.db2.gz RRYWRPZZDUJHSQ-UHFFFAOYSA-N 1 0 316.405 3.244 50 0 DGAARO C=C1[NH+]=C(N)S[C@H](c2ccccc2)C1C(=O)OC(C)(C)C ZINC000001410002 431227384 /nfs/dbraw/zinc/22/73/84/431227384.db2.gz GDPCLDXKUXIMCM-CYBMUJFWSA-N 1 0 304.415 3.405 50 0 DGAARO CC(C)Cc1ccc([C@H](O)CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000069879793 431229750 /nfs/dbraw/zinc/22/97/50/431229750.db2.gz VDCIOSOCVROUDO-WOJBJXKFSA-N 1 0 316.489 3.089 50 0 DGAARO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069925698 431233419 /nfs/dbraw/zinc/23/34/19/431233419.db2.gz YZROJJBVHIAMED-GFCCVEGCSA-N 1 0 322.865 3.292 50 0 DGAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(-n2ccnc2)cc1 ZINC000096478264 279528177 /nfs/dbraw/zinc/52/81/77/279528177.db2.gz KBRYSUMOMQJQTO-RUGDWHBFSA-N 1 0 311.429 3.336 50 0 DGAARO C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070254021 431246916 /nfs/dbraw/zinc/24/69/16/431246916.db2.gz ZJXORVNBMHJCTO-GXTWGEPZSA-N 1 0 306.837 3.249 50 0 DGAARO CCCC(=O)O[C@H](COCc1ccccc1)C[NH+](CC)CC ZINC000002272353 431247828 /nfs/dbraw/zinc/24/78/28/431247828.db2.gz FYIWBCSEAWCYSW-KRWDZBQOSA-N 1 0 307.434 3.257 50 0 DGAARO CCC[N@H+](CCC(=O)Nc1cc(OC)cc(OC)c1)CC1CC1 ZINC000002307927 431249496 /nfs/dbraw/zinc/24/94/96/431249496.db2.gz LKCKBYJFXFKLGE-UHFFFAOYSA-N 1 0 320.433 3.154 50 0 DGAARO Cc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccccc3)C2)cc1 ZINC000002966194 431277423 /nfs/dbraw/zinc/27/74/23/431277423.db2.gz GUJAMCPPWUAILF-FQEVSTJZSA-N 1 0 307.417 3.255 50 0 DGAARO O[C@H](C[NH2+]Cc1ccccc1)COCc1ccc(Cl)cc1 ZINC000003241688 431287838 /nfs/dbraw/zinc/28/78/38/431287838.db2.gz HUJBPYXFFMWRCZ-QGZVFWFLSA-N 1 0 305.805 3.007 50 0 DGAARO Cc1nn(C)c(Cl)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000071825264 431294661 /nfs/dbraw/zinc/29/46/61/431294661.db2.gz HXVBJHHNMSCSIQ-UHFFFAOYSA-N 1 0 318.852 3.141 50 0 DGAARO COc1ccccc1N1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000071850034 431298159 /nfs/dbraw/zinc/29/81/59/431298159.db2.gz LFLWUESHFUZXAQ-UHFFFAOYSA-N 1 0 312.413 3.159 50 0 DGAARO COc1ccc(-c2nc(CC[NH2+]Cc3ccncc3)co2)cc1 ZINC000071857544 431302436 /nfs/dbraw/zinc/30/24/36/431302436.db2.gz UKQMLVQJGFYQPN-UHFFFAOYSA-N 1 0 309.369 3.078 50 0 DGAARO Cc1oc(-c2ccco2)nc1C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000071882112 431305527 /nfs/dbraw/zinc/30/55/27/431305527.db2.gz HVXGTOAZJOXUMT-RYUDHWBXSA-N 1 0 300.362 3.179 50 0 DGAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCc1ccccc1Cl ZINC000071880547 431305661 /nfs/dbraw/zinc/30/56/61/431305661.db2.gz KEPSGZVQVMIMLN-MSOLQXFVSA-N 1 0 320.864 3.358 50 0 DGAARO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1 ZINC000071902534 431310761 /nfs/dbraw/zinc/31/07/61/431310761.db2.gz VKLLJXYBEDFSJL-GOSISDBHSA-N 1 0 317.454 3.472 50 0 DGAARO CC[C@H]([NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O ZINC000071902571 431310951 /nfs/dbraw/zinc/31/09/51/431310951.db2.gz YCODENVLHVCKIP-GWCFXTLKSA-N 1 0 303.431 3.033 50 0 DGAARO COC(=O)CCC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000071909493 431314379 /nfs/dbraw/zinc/31/43/79/431314379.db2.gz UTDWVOGAIPGBJS-UHFFFAOYSA-N 1 0 323.820 3.188 50 0 DGAARO Cc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928881 431267504 /nfs/dbraw/zinc/26/75/04/431267504.db2.gz 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CCC[NH+]1CCC(CC(=O)N[C@H](C)c2ccc(C)nc2)CC1 ZINC000095361443 431922625 /nfs/dbraw/zinc/92/26/25/431922625.db2.gz GEEBIOOAHJZNBW-OAHLLOKOSA-N 1 0 303.450 3.079 50 0 DGAARO Cc1cc(C)c2c(ncnc2NCCC23CCC[NH+]2CCC3)n1 ZINC000095354891 431922802 /nfs/dbraw/zinc/92/28/02/431922802.db2.gz FQHFGJROGQCPMP-UHFFFAOYSA-N 1 0 311.433 3.072 50 0 DGAARO O=C(Nc1cccnc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000048313093 431923141 /nfs/dbraw/zinc/92/31/41/431923141.db2.gz FEKDGKJTINBVAO-OAHLLOKOSA-N 1 0 313.376 3.071 50 0 DGAARO CCCc1nnc(NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000095367421 431923237 /nfs/dbraw/zinc/92/32/37/431923237.db2.gz NWXXBNZZGRUPSN-INIZCTEOSA-N 1 0 314.433 3.346 50 0 DGAARO C=Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)c1 ZINC000095380036 431924031 /nfs/dbraw/zinc/92/40/31/431924031.db2.gz YNWYDYNLLKMBII-RBUKOAKNSA-N 1 0 310.441 3.162 50 0 DGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(F)c(F)c1)C2 ZINC000095373909 431924129 /nfs/dbraw/zinc/92/41/29/431924129.db2.gz VIPAHOKBLOFILO-TZMCWYRMSA-N 1 0 323.387 3.303 50 0 DGAARO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CCn1ccnc1 ZINC000089693906 431874598 /nfs/dbraw/zinc/87/45/98/431874598.db2.gz MNZDFXOZNPUTFE-ZDUSSCGKSA-N 1 0 324.197 3.062 50 0 DGAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](CCCc3ccccc3)C2)o1 ZINC000089702286 431875753 /nfs/dbraw/zinc/87/57/53/431875753.db2.gz YATSBHYHBUAXLK-SFHVURJKSA-N 1 0 313.445 3.122 50 0 DGAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1csc(C3CC3)n1)CCC2 ZINC000089702153 431875789 /nfs/dbraw/zinc/87/57/89/431875789.db2.gz CPFICWHYGBIEOX-CYBMUJFWSA-N 1 0 302.447 3.193 50 0 DGAARO O=C(c1ccc(F)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000044737625 431876937 /nfs/dbraw/zinc/87/69/37/431876937.db2.gz PLVXHRVDFMLFCN-UHFFFAOYSA-N 1 0 304.409 3.164 50 0 DGAARO FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044686218 431877297 /nfs/dbraw/zinc/87/72/97/431877297.db2.gz IFZTZYYSALXWKJ-LBPRGKRZSA-N 1 0 316.779 3.268 50 0 DGAARO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc2c1OCCCO2 ZINC000089774308 431878292 /nfs/dbraw/zinc/87/82/92/431878292.db2.gz BWGRKROQLWMBOG-INIZCTEOSA-N 1 0 311.381 3.331 50 0 DGAARO Fc1ccc(-c2nc(CN3CC[C@H]([NH+]4CCCC4)C3)co2)cc1 ZINC000089793846 431879145 /nfs/dbraw/zinc/87/91/45/431879145.db2.gz RZPBONCDTKHITR-KRWDZBQOSA-N 1 0 315.392 3.151 50 0 DGAARO COc1ccccc1C[C@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000095423040 431925387 /nfs/dbraw/zinc/92/53/87/431925387.db2.gz PKBGAXJQRDDWDW-SUMWQHHRSA-N 1 0 305.443 3.185 50 0 DGAARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000089894293 431883867 /nfs/dbraw/zinc/88/38/67/431883867.db2.gz SBMJQNFOMMSDDD-OCCSQVGLSA-N 1 0 304.365 3.074 50 0 DGAARO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCn1cnnc1 ZINC000089947792 431887529 /nfs/dbraw/zinc/88/75/29/431887529.db2.gz SXDFCFMSMZOMPU-AWEZNQCLSA-N 1 0 323.238 3.124 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(OC)c1 ZINC000095422994 431925602 /nfs/dbraw/zinc/92/56/02/431925602.db2.gz FUJLKBRMWQBHGC-PXAZEXFGSA-N 1 0 321.442 3.324 50 0 DGAARO CC1CC[NH+](CCNC(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000046956914 431903445 /nfs/dbraw/zinc/90/34/45/431903445.db2.gz LHMHAINXOXJKTE-UHFFFAOYSA-N 1 0 316.779 3.080 50 0 DGAARO CC[C@H]1CN(C(=O)c2ccc3occc3c2)CC[N@@H+]1C(C)C ZINC000091254703 431904155 /nfs/dbraw/zinc/90/41/55/431904155.db2.gz RZMDKJZIFVNMEW-INIZCTEOSA-N 1 0 300.402 3.378 50 0 DGAARO COc1ccccc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047038411 431904782 /nfs/dbraw/zinc/90/47/82/431904782.db2.gz WFWDFUMSNUIHJS-IYBDPMFKSA-N 1 0 318.461 3.183 50 0 DGAARO CC(C)c1cncnc1N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091745751 431905610 /nfs/dbraw/zinc/90/56/10/431905610.db2.gz IIXKEUBBGUKGGT-IAGOWNOFSA-N 1 0 314.477 3.301 50 0 DGAARO CC(C)n1ccc2c1cccc2C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000095476876 431926005 /nfs/dbraw/zinc/92/60/05/431926005.db2.gz GWEPLWFQMRETON-QGZVFWFLSA-N 1 0 311.429 3.046 50 0 DGAARO C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CCC[C@@H]1O ZINC000091899622 431906297 /nfs/dbraw/zinc/90/62/97/431906297.db2.gz ZYZSONQZRRNSQF-HZMBPMFUSA-N 1 0 305.315 3.437 50 0 DGAARO COc1cc(-c2ccc(C[NH+]3CCCC3)cn2)c(Cl)cn1 ZINC000097653986 431972014 /nfs/dbraw/zinc/97/20/14/431972014.db2.gz JBTTWVWMPTZQAC-UHFFFAOYSA-N 1 0 303.793 3.401 50 0 DGAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)[C@@H](C)Cc1cnccn1 ZINC000097637912 431972593 /nfs/dbraw/zinc/97/25/93/431972593.db2.gz INPKMTPOUNSQOA-LBPRGKRZSA-N 1 0 312.392 3.468 50 0 DGAARO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054676656 431973667 /nfs/dbraw/zinc/97/36/67/431973667.db2.gz KCCCOHDUAQMDBE-LBPRGKRZSA-N 1 0 321.808 3.420 50 0 DGAARO CC[N@@H+]1CCC[C@@H](C(=O)NCCCSCc2ccccc2)C1 ZINC000097756519 431973987 /nfs/dbraw/zinc/97/39/87/431973987.db2.gz ABQQPVLOVCKGEA-QGZVFWFLSA-N 1 0 320.502 3.158 50 0 DGAARO CCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]([NH3+])CCSC ZINC000055118750 431976891 /nfs/dbraw/zinc/97/68/91/431976891.db2.gz LKHGSFMROBOMDV-AWEZNQCLSA-N 1 0 314.882 3.159 50 0 DGAARO C/C(=C\C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C1CC1 ZINC000098052715 431977049 /nfs/dbraw/zinc/97/70/49/431977049.db2.gz MCJMBITZRXWRTR-BUHFOSPRSA-N 1 0 313.445 3.488 50 0 DGAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2nc3ccccc3n2C)c1 ZINC000055118832 431977499 /nfs/dbraw/zinc/97/74/99/431977499.db2.gz UTUHMYWCJVXBTP-HNNXBMFYSA-N 1 0 308.429 3.340 50 0 DGAARO CC(C)c1cc(CNC(=O)CC[NH+]2CCCCCCC2)no1 ZINC000055245189 431978175 /nfs/dbraw/zinc/97/81/75/431978175.db2.gz HDMWLFWXWBZEJR-UHFFFAOYSA-N 1 0 307.438 3.070 50 0 DGAARO O=C(CC[N@@H+](CCc1cccc(F)c1)C1CC1)N1CCCCC1 ZINC000095959502 431928378 /nfs/dbraw/zinc/92/83/78/431928378.db2.gz ATGMUHBZZRJPIM-UHFFFAOYSA-N 1 0 318.436 3.235 50 0 DGAARO Cc1cccc(CN(C(=O)C2CCC(C[NH3+])CC2)C2CC2)c1 ZINC000095963336 431928887 /nfs/dbraw/zinc/92/88/87/431928887.db2.gz PKEURFULBMKNKR-UHFFFAOYSA-N 1 0 300.446 3.251 50 0 DGAARO Cc1cnc([C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C2CC2)s1 ZINC000095968580 431929799 /nfs/dbraw/zinc/92/97/99/431929799.db2.gz NJTXZEDNFPRIPT-NEPJUHHUSA-N 1 0 319.396 3.129 50 0 DGAARO CCc1nncn1CC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000095968732 431930123 /nfs/dbraw/zinc/93/01/23/431930123.db2.gz WVSHBAJWBRPMOC-NSHDSACASA-N 1 0 312.339 3.210 50 0 DGAARO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000095969134 431930219 /nfs/dbraw/zinc/93/02/19/431930219.db2.gz AVKYFGHMDOIHLE-LLVKDONJSA-N 1 0 302.374 3.304 50 0 DGAARO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000095978230 431930699 /nfs/dbraw/zinc/93/06/99/431930699.db2.gz OQRDSJMNVSSMHR-JSGCOSHPSA-N 1 0 319.426 3.121 50 0 DGAARO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000095978231 431931035 /nfs/dbraw/zinc/93/10/35/431931035.db2.gz OQRDSJMNVSSMHR-OCCSQVGLSA-N 1 0 319.426 3.121 50 0 DGAARO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000095985008 431931545 /nfs/dbraw/zinc/93/15/45/431931545.db2.gz QMGNNEWPOKDKFS-NXEZZACHSA-N 1 0 324.273 3.120 50 0 DGAARO COc1ccccc1C[NH2+]Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000048742462 431931631 /nfs/dbraw/zinc/93/16/31/431931631.db2.gz YCUSUWCBSKEZNJ-UHFFFAOYSA-N 1 0 322.412 3.183 50 0 DGAARO Cc1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)c(C)c1 ZINC000048747575 431931751 /nfs/dbraw/zinc/93/17/51/431931751.db2.gz YVVDCJAKQIWUIA-UHFFFAOYSA-N 1 0 310.376 3.313 50 0 DGAARO Cc1cnc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000095986874 431932071 /nfs/dbraw/zinc/93/20/71/431932071.db2.gz JVRBHLJZCDJMHS-GFCCVEGCSA-N 1 0 318.446 3.094 50 0 DGAARO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000096012323 431934449 /nfs/dbraw/zinc/93/44/49/431934449.db2.gz FGLLVZOVKOYANI-GFCCVEGCSA-N 1 0 305.422 3.059 50 0 DGAARO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)s1 ZINC000125716350 431934584 /nfs/dbraw/zinc/93/45/84/431934584.db2.gz JBTCPBOOBVQZDM-ONGXEEELSA-N 1 0 321.412 3.301 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)c2cccc(COC)c2)CC1 ZINC000049076244 431936498 /nfs/dbraw/zinc/93/64/98/431936498.db2.gz FEGDOQAEZSYKLH-UHFFFAOYSA-N 1 0 318.461 3.027 50 0 DGAARO Cc1ccc(/C=C\C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC000096133860 431939622 /nfs/dbraw/zinc/93/96/22/431939622.db2.gz GGZQLFOEYXHLSG-CMUBDUJZSA-N 1 0 304.434 3.228 50 0 DGAARO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2c(c1)CCCC2 ZINC000049590362 431941667 /nfs/dbraw/zinc/94/16/67/431941667.db2.gz PNLBFGDBGWVKLS-CQSZACIVSA-N 1 0 312.413 3.125 50 0 DGAARO CCc1ncc(CN(C)C(=O)c2cccc(C[NH+](C)C)c2)s1 ZINC000096421709 431947687 /nfs/dbraw/zinc/94/76/87/431947687.db2.gz OLEAYCHETVROIY-UHFFFAOYSA-N 1 0 317.458 3.039 50 0 DGAARO O=C(C[NH+]1CCCC1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000051126502 431949910 /nfs/dbraw/zinc/94/99/10/431949910.db2.gz KMKVOJIKYCZRQR-UHFFFAOYSA-N 1 0 321.424 3.415 50 0 DGAARO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccn(C)c(=O)c2)C2CC2)o1 ZINC000051183389 431950046 /nfs/dbraw/zinc/95/00/46/431950046.db2.gz YOXXOAKGMSENNH-SUMWQHHRSA-N 1 0 312.413 3.266 50 0 DGAARO O=C(Nc1ccc(Cl)nc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000096452190 431950673 /nfs/dbraw/zinc/95/06/73/431950673.db2.gz SBPKCZRKCCNJND-UHFFFAOYSA-N 1 0 322.840 3.264 50 0 DGAARO c1nc(CN2CCC([NH+]3CCCC3)CC2)oc1-c1ccccc1 ZINC000051951965 431952690 /nfs/dbraw/zinc/95/26/90/431952690.db2.gz GPTNEIRNDXROBV-UHFFFAOYSA-N 1 0 311.429 3.402 50 0 DGAARO Cc1nc(C)c(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)s1 ZINC000096478494 431952863 /nfs/dbraw/zinc/95/28/63/431952863.db2.gz LGFJYQLDGLIJPJ-LBPRGKRZSA-N 1 0 309.479 3.031 50 0 DGAARO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc3c(c2)OCCO3)n1 ZINC000096476365 431953036 /nfs/dbraw/zinc/95/30/36/431953036.db2.gz HFOALUBKFHVEDY-OAHLLOKOSA-N 1 0 315.417 3.012 50 0 DGAARO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000096493649 431953597 /nfs/dbraw/zinc/95/35/97/431953597.db2.gz UQZLXAKPYGMEAC-HUUCEWRRSA-N 1 0 305.422 3.132 50 0 DGAARO C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1cccc(O)c1 ZINC000126605768 431953793 /nfs/dbraw/zinc/95/37/93/431953793.db2.gz GSEJTPKOGVREAT-CQSZACIVSA-N 1 0 318.461 3.470 50 0 DGAARO c1[nH]nc2ccc(NC3CC[NH+](Cc4ccncc4)CC3)cc12 ZINC000096494895 431954511 /nfs/dbraw/zinc/95/45/11/431954511.db2.gz APUKXTWBEUSMKV-UHFFFAOYSA-N 1 0 307.401 3.034 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@@H](c2ncc(C)s2)C2CC2)CC1 ZINC000096494302 431954862 /nfs/dbraw/zinc/95/48/62/431954862.db2.gz UEOXPINBDUPVTO-CQSZACIVSA-N 1 0 323.462 3.113 50 0 DGAARO c1cc2c(ncnc2N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000052428329 431955285 /nfs/dbraw/zinc/95/52/85/431955285.db2.gz CSBJGLKGBSIDRV-UHFFFAOYSA-N 1 0 302.447 3.146 50 0 DGAARO CN1CCN(C(=O)/C=C\c2cccs2)[C@H](c2ccccc2)C1 ZINC000096889595 431956407 /nfs/dbraw/zinc/95/64/07/431956407.db2.gz DXWNTWKQSQGNFN-IBSYWUHOSA-N 1 0 312.438 3.277 50 0 DGAARO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1cccc2ccccc21 ZINC000052500109 431956645 /nfs/dbraw/zinc/95/66/45/431956645.db2.gz WFSBDTFFBUWMBH-GDBMZVCRSA-N 1 0 311.429 3.294 50 0 DGAARO C[NH+](C)[C@@H](CNc1cnc2ccccc2n1)c1ccc(F)cc1 ZINC000052486102 431956792 /nfs/dbraw/zinc/95/67/92/431956792.db2.gz ANYKIJINAUSTQH-KRWDZBQOSA-N 1 0 310.376 3.484 50 0 DGAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Oc3ccccc3)o1)CC2 ZINC000097054716 431958740 /nfs/dbraw/zinc/95/87/40/431958740.db2.gz RYIGBIOLHZNVCN-CQSZACIVSA-N 1 0 324.384 3.076 50 0 DGAARO CC(C)c1csc(C[NH2+]C2CCN(c3nccs3)CC2)n1 ZINC000097081092 431959234 /nfs/dbraw/zinc/95/92/34/431959234.db2.gz XRHHLTLZGYJWKV-UHFFFAOYSA-N 1 0 322.503 3.482 50 0 DGAARO Cc1csc(CCC[NH2+]C2CCN(c3nccs3)CC2)n1 ZINC000097081012 431959610 /nfs/dbraw/zinc/95/96/10/431959610.db2.gz BEXPLHBLDCQPGC-UHFFFAOYSA-N 1 0 322.503 3.099 50 0 DGAARO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000097084465 431960354 /nfs/dbraw/zinc/96/03/54/431960354.db2.gz BKPOULDLTWHMEW-HNNXBMFYSA-N 1 0 307.409 3.028 50 0 DGAARO C[N@H+](CCCCc1ccccc1)CC(=O)Nc1nccs1 ZINC000053082574 431960928 /nfs/dbraw/zinc/96/09/28/431960928.db2.gz KYZZLRBLQGUOOQ-UHFFFAOYSA-N 1 0 303.431 3.036 50 0 DGAARO Cc1cccc(C2CC([NH2+][C@H](C)C(=O)NCc3ccco3)C2)c1 ZINC000097108565 431961028 /nfs/dbraw/zinc/96/10/28/431961028.db2.gz OQZOFRYLHBNIPR-ODIFPOPNSA-N 1 0 312.413 3.129 50 0 DGAARO O=c1cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)nc2sccn21 ZINC000053211315 431961432 /nfs/dbraw/zinc/96/14/32/431961432.db2.gz UWNGVNFPRYCMLF-HNNXBMFYSA-N 1 0 317.458 3.301 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000053371296 431962914 /nfs/dbraw/zinc/96/29/14/431962914.db2.gz CADKUKCJWMQRJH-YOEHRIQHSA-N 1 0 318.461 3.325 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000097159582 431963250 /nfs/dbraw/zinc/96/32/50/431963250.db2.gz YFXJWUMMZAAFIC-CQSZACIVSA-N 1 0 307.825 3.184 50 0 DGAARO Cc1n[nH]c(C)c1CNC1CC[NH+](Cc2ccccc2C)CC1 ZINC000097159607 431963261 /nfs/dbraw/zinc/96/32/61/431963261.db2.gz SZROZSRKETXGAP-UHFFFAOYSA-N 1 0 312.461 3.089 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000097159144 431963546 /nfs/dbraw/zinc/96/35/46/431963546.db2.gz XJJCZLPWEUZNJO-UHFFFAOYSA-N 1 0 323.444 3.242 50 0 DGAARO Cc1n[nH]c(C)c1C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000097159199 431963642 /nfs/dbraw/zinc/96/36/42/431963642.db2.gz OKDIMQUQZPJUHL-UHFFFAOYSA-N 1 0 323.444 3.178 50 0 DGAARO COC1(C[NH2+][C@@H](C)C(C)(C)c2ccc(F)cc2)CCOCC1 ZINC000097374995 431968262 /nfs/dbraw/zinc/96/82/62/431968262.db2.gz PGHMAMMUGSATNB-AWEZNQCLSA-N 1 0 309.425 3.277 50 0 DGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000055404554 431981317 /nfs/dbraw/zinc/98/13/17/431981317.db2.gz YSUOTQNRZUOSQQ-CQSZACIVSA-N 1 0 300.450 3.474 50 0 DGAARO Cc1ccc([C@@H]2NC(=S)N=C3C2CCC[C@@H]3C[NH+](C)C)cc1 ZINC000101375257 431984234 /nfs/dbraw/zinc/98/42/34/431984234.db2.gz NRERSBYAYDKVRY-ZBFHGGJFSA-N 1 0 315.486 3.130 50 0 DGAARO CC(=O)c1cccc(NC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000056540254 431987911 /nfs/dbraw/zinc/98/79/11/431987911.db2.gz FKYORQUQJOSXQR-UHFFFAOYSA-N 1 0 317.433 3.085 50 0 DGAARO C[NH+](C)CCNc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000056900916 431989417 /nfs/dbraw/zinc/98/94/17/431989417.db2.gz SBOQADOKVTVSGX-UHFFFAOYSA-N 1 0 305.325 3.168 50 0 DGAARO CC(C)Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000058427388 431996503 /nfs/dbraw/zinc/99/65/03/431996503.db2.gz TZYREWPWQFIJTK-HNNXBMFYSA-N 1 0 313.445 3.121 50 0 DGAARO C(c1nc(C2CCCC2)no1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000152313828 432324489 /nfs/dbraw/zinc/32/44/89/432324489.db2.gz SUFHPCGIFRQBHU-MRXNPFEDSA-N 1 0 318.465 3.178 50 0 DGAARO COc1cccc([C@H]2CCC[N@@H+]2CCO[C@H]2CCCCO2)c1 ZINC000249723925 432355295 /nfs/dbraw/zinc/35/52/95/432355295.db2.gz GKIYJEGOFRDSHH-MSOLQXFVSA-N 1 0 305.418 3.375 50 0 DGAARO Cc1noc(C)c1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192136994 432337148 /nfs/dbraw/zinc/33/71/48/432337148.db2.gz KSISSHJTRMEYAB-CVEARBPZSA-N 1 0 308.328 3.189 50 0 DGAARO COc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1F ZINC000249458692 432347981 /nfs/dbraw/zinc/34/79/81/432347981.db2.gz YVXJQUQXUOIVMI-DZGCQCFKSA-N 1 0 303.381 3.114 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(C2CC2)s1 ZINC000249695546 432353809 /nfs/dbraw/zinc/35/38/09/432353809.db2.gz QYIMBRGUTYINKI-ZIAGYGMSSA-N 1 0 319.474 3.109 50 0 DGAARO O=C(c1ccc(F)cc1)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000192474467 432377670 /nfs/dbraw/zinc/37/76/70/432377670.db2.gz TVQJZDBHBDRYPZ-UHFFFAOYSA-N 1 0 315.392 3.007 50 0 DGAARO COCc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000252488135 432377895 /nfs/dbraw/zinc/37/78/95/432377895.db2.gz ILHRDGCQXHJQIO-UHFFFAOYSA-N 1 0 319.449 3.075 50 0 DGAARO COc1cccc([C@H]([NH2+]C[C@H]2CCC=CO2)c2ccccn2)c1 ZINC000252494028 432380546 /nfs/dbraw/zinc/38/05/46/432380546.db2.gz NITGOSNGQYHLBL-MJGOQNOKSA-N 1 0 310.397 3.462 50 0 DGAARO CCCN(CCC[NH+](C)C)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000252493593 432380577 /nfs/dbraw/zinc/38/05/77/432380577.db2.gz NDMNBLVNPDQLMC-UHFFFAOYSA-N 1 0 315.461 3.209 50 0 DGAARO CC(=O)Nc1cccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1 ZINC000252509746 432380699 /nfs/dbraw/zinc/38/06/99/432380699.db2.gz YUTDMCBESFXVFE-GOSISDBHSA-N 1 0 304.434 3.018 50 0 DGAARO CC(C)(C)SCC[NH+]1CCC(OC2CCOCC2)CC1 ZINC000252508592 432381425 /nfs/dbraw/zinc/38/14/25/432381425.db2.gz XPPSYQHXPYMQRW-UHFFFAOYSA-N 1 0 301.496 3.178 50 0 DGAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1nc2c(s1)CCC2 ZINC000252528105 432382968 /nfs/dbraw/zinc/38/29/68/432382968.db2.gz FBZBSNVKERGDCU-RBDSIQFVSA-N 1 0 304.459 3.240 50 0 DGAARO CCc1cccnc1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000253420642 432395195 /nfs/dbraw/zinc/39/51/95/432395195.db2.gz VECLRAYCIPYSIM-KRWDZBQOSA-N 1 0 321.424 3.269 50 0 DGAARO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1F ZINC000192961010 432434326 /nfs/dbraw/zinc/43/43/26/432434326.db2.gz YVXJQUQXUOIVMI-HIFRSBDPSA-N 1 0 303.381 3.114 50 0 DGAARO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(Br)o2)[nH]n1 ZINC000193029386 432439866 /nfs/dbraw/zinc/43/98/66/432439866.db2.gz ASFCBNCKKDZSEC-PSASIEDQSA-N 1 0 312.211 3.355 50 0 DGAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2sc3ccccc3c2Cl)C1 ZINC000255367896 432409922 /nfs/dbraw/zinc/40/99/22/432409922.db2.gz BLXOEPGJPPURJB-ISALQUGTSA-N 1 0 320.845 3.375 50 0 DGAARO CC(C)[N@@H+]1CCC[C@H](CCc2nnc(C3CCOCC3)o2)C1 ZINC000257174972 432415714 /nfs/dbraw/zinc/41/57/14/432415714.db2.gz 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ZINC000186791865 432631111 /nfs/dbraw/zinc/63/11/11/432631111.db2.gz WDRMRIMNRUBCES-UHFFFAOYSA-N 1 0 321.424 3.206 50 0 DGAARO Cn1nc(C[N@H+](C)CCC2CCOCC2)c2c1cccc2Cl ZINC000215334490 432643212 /nfs/dbraw/zinc/64/32/12/432643212.db2.gz NJRWVHIDBQUEBW-UHFFFAOYSA-N 1 0 321.852 3.475 50 0 DGAARO CCn1c2ccccc2nc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000215751254 432644536 /nfs/dbraw/zinc/64/45/36/432644536.db2.gz OOOLKVUYLLEZDU-UHFFFAOYSA-N 1 0 323.444 3.165 50 0 DGAARO CCOc1ccc2nc(C[N@@H+]3CCC[C@H](COC)C3)ccc2c1 ZINC000215805477 432644780 /nfs/dbraw/zinc/64/47/80/432644780.db2.gz RBBSYKPXWZGHPF-HNNXBMFYSA-N 1 0 314.429 3.492 50 0 DGAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1ccccc1-c1ccc(C)o1 ZINC000216015488 432646177 /nfs/dbraw/zinc/64/61/77/432646177.db2.gz DMMWHJBUWIEOJV-CYBMUJFWSA-N 1 0 300.402 3.211 50 0 DGAARO COc1ccc(F)c(F)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000216182012 432646407 /nfs/dbraw/zinc/64/64/07/432646407.db2.gz UZPSITPADIZFKY-CYBMUJFWSA-N 1 0 310.388 3.034 50 0 DGAARO CCN(Cc1noc(C2CCC2)n1)CC1CC[NH+](C(C)C)CC1 ZINC000216264283 432649495 /nfs/dbraw/zinc/64/94/95/432649495.db2.gz BTTBQYVIOLWMED-UHFFFAOYSA-N 1 0 320.481 3.279 50 0 DGAARO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(C4CCCC4)s3)C2)O1 ZINC000216365426 432649679 /nfs/dbraw/zinc/64/96/79/432649679.db2.gz HQSBZFVPTZDTOO-KRWDZBQOSA-N 1 0 320.458 3.480 50 0 DGAARO COCc1cc(C[N@@H+]2CCC[C@]3(CCCO3)CC2)ccc1OC ZINC000216543175 432651298 /nfs/dbraw/zinc/65/12/98/432651298.db2.gz PLYUPSMIJUKHSJ-IBGZPJMESA-N 1 0 319.445 3.377 50 0 DGAARO CCCCc1nc(CN2CCCC[C@@H]2c2nccn2CC)no1 ZINC000225520258 432692975 /nfs/dbraw/zinc/69/29/75/432692975.db2.gz YAUINJHBXNIVBM-CQSZACIVSA-N 1 0 317.437 3.356 50 0 DGAARO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000230093217 432725673 /nfs/dbraw/zinc/72/56/73/432725673.db2.gz JBMRHORQILGVDY-HUUCEWRRSA-N 1 0 317.454 3.416 50 0 DGAARO C[C@H]([NH3+])C1CCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000178813744 432779133 /nfs/dbraw/zinc/77/91/33/432779133.db2.gz IJINIYWYPYMYDU-NSHDSACASA-N 1 0 317.820 3.088 50 0 DGAARO O[C@H](COCc1ccco1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000241965551 432816682 /nfs/dbraw/zinc/81/66/82/432816682.db2.gz UTTNBJQVAXNPCC-HOCLYGCPSA-N 1 0 307.415 3.056 50 0 DGAARO O[C@H](c1ccccc1)C1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000242087961 432816840 /nfs/dbraw/zinc/81/68/40/432816840.db2.gz WAPXIALJWLVYKO-HXUWFJFHSA-N 1 0 321.424 3.280 50 0 DGAARO CSc1ccc2c(c1)CC[N@@H+](CCCn1ccnc1C)C2 ZINC000243893237 432819456 /nfs/dbraw/zinc/81/94/56/432819456.db2.gz APRDOMYQEUZNBN-UHFFFAOYSA-N 1 0 301.459 3.362 50 0 DGAARO CC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCCCC2)c1 ZINC000244626815 432821725 /nfs/dbraw/zinc/82/17/25/432821725.db2.gz FTFRLWLZTLZAIT-UHFFFAOYSA-N 1 0 317.433 3.240 50 0 DGAARO O[C@H]1C[C@@H]([C@@H](Cc2ccccn2)Nc2cc[nH+]c3ccccc23)C1 ZINC000244673554 432821988 /nfs/dbraw/zinc/82/19/88/432821988.db2.gz HRKVFCOAGLAFDV-PTSWNOGYSA-N 1 0 319.408 3.424 50 0 DGAARO C[C@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000244748779 432822100 /nfs/dbraw/zinc/82/21/00/432822100.db2.gz OOFMDBCRTDMDJW-BRWVUGGUSA-N 1 0 318.461 3.434 50 0 DGAARO O[C@H]1C[C@@H]([C@H](Cc2ccccn2)Nc2cc[nH+]c3ccccc23)C1 ZINC000244673553 432822689 /nfs/dbraw/zinc/82/26/89/432822689.db2.gz HRKVFCOAGLAFDV-NBQZKYEYSA-N 1 0 319.408 3.424 50 0 DGAARO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(F)(F)CC1 ZINC000244633119 432822879 /nfs/dbraw/zinc/82/28/79/432822879.db2.gz FWZTZGBWALJERA-INIZCTEOSA-N 1 0 322.399 3.299 50 0 DGAARO CN(Cc1cncn1C1CCCCC1)Cc1[nH]nc2c1CCC2 ZINC000244816817 432823165 /nfs/dbraw/zinc/82/31/65/432823165.db2.gz SOXNBQCPWOWEFW-UHFFFAOYSA-N 1 0 313.449 3.232 50 0 DGAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000237952668 432805392 /nfs/dbraw/zinc/80/53/92/432805392.db2.gz WUJNKOFFLIJXIN-RRFJBIMHSA-N 1 0 306.837 3.001 50 0 DGAARO O=C(CCC1CC[NH2+]CC1)NCCc1csc2ccccc12 ZINC000237956970 432806279 /nfs/dbraw/zinc/80/62/79/432806279.db2.gz SMAWQSQZODFKEA-UHFFFAOYSA-N 1 0 316.470 3.340 50 0 DGAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238007082 432808633 /nfs/dbraw/zinc/80/86/33/432808633.db2.gz CHRAYVWFCUSUHX-QGZVFWFLSA-N 1 0 312.457 3.004 50 0 DGAARO C[N@H+](Cc1ccccc1OCc1cccnc1)[C@@H]1CCC[C@H]1O ZINC000289207494 432933256 /nfs/dbraw/zinc/93/32/56/432933256.db2.gz BSZXUGADGODOTH-QZTJIDSGSA-N 1 0 312.413 3.006 50 0 DGAARO Cc1ccc(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)s1 ZINC000289259275 432938905 /nfs/dbraw/zinc/93/89/05/432938905.db2.gz ZKKBVRWOXMUPKE-UHFFFAOYSA-N 1 0 303.431 3.372 50 0 DGAARO CCn1nc(C[NH2+][C@](C)(CO)C2CCCCC2)c2ccccc21 ZINC000332039445 432967438 /nfs/dbraw/zinc/96/74/38/432967438.db2.gz LHORUAZIJPXSDK-LJQANCHMSA-N 1 0 315.461 3.477 50 0 DGAARO Clc1cccc([C@H]2CCCN2CC[N@@H+]2CCCOCC2)c1 ZINC000361291028 433084908 /nfs/dbraw/zinc/08/49/08/433084908.db2.gz VFPRDKMFDZFSTI-QGZVFWFLSA-N 1 0 308.853 3.199 50 0 DGAARO C[C@H]([NH2+]CC1(O)CCC1)c1cccc(OCc2ccccn2)c1 ZINC000341652874 433191776 /nfs/dbraw/zinc/19/17/76/433191776.db2.gz CVESCSSHMKFOSC-HNNXBMFYSA-N 1 0 312.413 3.226 50 0 DGAARO C[C@H](NC(=O)CC[NH+]1CCCCCC1)c1nc2ccccc2[nH]1 ZINC000299767732 433380498 /nfs/dbraw/zinc/38/04/98/433380498.db2.gz KERKDWKXDXEYKZ-AWEZNQCLSA-N 1 0 314.433 3.006 50 0 DGAARO CCc1cc(CC)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c(CC)c1 ZINC000299766004 433381747 /nfs/dbraw/zinc/38/17/47/433381747.db2.gz ZEGHIBUBDADRCH-DLBZAZTESA-N 1 0 315.461 3.199 50 0 DGAARO Cc1ccc(CC2(NC(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)CC2)cc1 ZINC000299769826 433381876 /nfs/dbraw/zinc/38/18/76/433381876.db2.gz QXVZKZMQODIVIB-MSOLQXFVSA-N 1 0 312.457 3.061 50 0 DGAARO CCSCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299783702 433383021 /nfs/dbraw/zinc/38/30/21/433383021.db2.gz XESNYPIEYXJBHX-QGZVFWFLSA-N 1 0 320.502 3.473 50 0 DGAARO Cc1ccc(C(=O)NCCCn2ccnc2C(C)C)n1C(F)F ZINC000426370930 433478182 /nfs/dbraw/zinc/47/81/82/433478182.db2.gz ISYXBTSWVOCRFF-UHFFFAOYSA-N 1 0 324.375 3.332 50 0 DGAARO C[NH+]1CCC(CCNC(=O)N(Cc2ccsc2)C2CC2)CC1 ZINC000426485483 433510125 /nfs/dbraw/zinc/51/01/25/433510125.db2.gz CRCSEGZJXZGJDL-UHFFFAOYSA-N 1 0 321.490 3.154 50 0 DGAARO Cc1ccccc1-n1c(C[NH3+])nnc1SCC[C@H]1CC1(F)F ZINC000426575007 433533261 /nfs/dbraw/zinc/53/32/61/433533261.db2.gz LLMDEQVMTMMAAF-NSHDSACASA-N 1 0 324.400 3.172 50 0 DGAARO CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000283048827 433652150 /nfs/dbraw/zinc/65/21/50/433652150.db2.gz OAXPEIAPDYYBOF-STQMWFEESA-N 1 0 308.397 3.282 50 0 DGAARO O[C@H](CC[N@@H+]1CCCN(c2ccccc2)CC1)c1ccccc1 ZINC000285995897 434129754 /nfs/dbraw/zinc/12/97/54/434129754.db2.gz NGUZAEOXAZZJCU-HXUWFJFHSA-N 1 0 310.441 3.322 50 0 DGAARO CCC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1CC1(C)C ZINC000417326983 434354284 /nfs/dbraw/zinc/35/42/84/434354284.db2.gz GRSAGJFQEMOXNW-KLZNWCGWSA-N 1 0 305.466 3.302 50 0 DGAARO CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000408524702 434586391 /nfs/dbraw/zinc/58/63/91/434586391.db2.gz XYLWCJHNOABLRR-KRWDZBQOSA-N 1 0 324.424 3.437 50 0 DGAARO c1cc(CCC[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc2c1OCC2 ZINC000560630215 435186377 /nfs/dbraw/zinc/18/63/77/435186377.db2.gz VYEPPVNYKPPISO-WOJBJXKFSA-N 1 0 313.441 3.198 50 0 DGAARO CC[N@H+](Cc1ccc(C(=O)Nc2conc2C)cc1)C(C)C ZINC000585130325 435292492 /nfs/dbraw/zinc/29/24/92/435292492.db2.gz MZBZDJWKTVLDTE-UHFFFAOYSA-N 1 0 301.390 3.466 50 0 DGAARO Cc1cncc(CC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)n1 ZINC000649588644 435635628 /nfs/dbraw/zinc/63/56/28/435635628.db2.gz VUUNOWAMTDTFAO-LBPRGKRZSA-N 1 0 302.447 3.014 50 0 DGAARO Cc1ccccc1C1(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000095370480 302094437 /nfs/dbraw/zinc/09/44/37/302094437.db2.gz CMTFTLXZMWQLPD-MRXNPFEDSA-N 1 0 300.446 3.365 50 0 DGAARO CCc1cccc(NC(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000541645825 314030738 /nfs/dbraw/zinc/03/07/38/314030738.db2.gz NCBBGODQSBYAON-CQSZACIVSA-N 1 0 314.433 3.316 50 0 DGAARO Cc1ccc(C)c(OCC[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000195503489 323491494 /nfs/dbraw/zinc/49/14/94/323491494.db2.gz NULBGKLIYKYTTM-UHFFFAOYSA-N 1 0 313.445 3.295 50 0 DGAARO O=C(NCCc1ccncc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095366055 332169553 /nfs/dbraw/zinc/16/95/53/332169553.db2.gz ODVHGUQOVXSKDB-UHFFFAOYSA-N 1 0 323.440 3.040 50 0 DGAARO O=C(OC[C@@H]1CCc2ccccc21)c1cccc(-n2ccnc2)n1 ZINC000097166104 332193707 /nfs/dbraw/zinc/19/37/07/332193707.db2.gz AUIOTVTTZOTLLG-HNNXBMFYSA-N 1 0 319.364 3.154 50 0 DGAARO Cc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccn1)OCCO2 ZINC000216466668 333388619 /nfs/dbraw/zinc/38/86/19/333388619.db2.gz CGCYFADCIFUODA-KRWDZBQOSA-N 1 0 310.397 3.498 50 0 DGAARO CC[C@@H](CNC(=O)N(C)Cc1cccc(SC)c1)[N@H+](C)CC ZINC000534579050 334288573 /nfs/dbraw/zinc/28/85/73/334288573.db2.gz AWBDOGFQNVCFCB-HNNXBMFYSA-N 1 0 323.506 3.280 50 0 DGAARO Fc1ccccc1N1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000534638343 334310319 /nfs/dbraw/zinc/31/03/19/334310319.db2.gz ZCPLLSGGZMFREZ-HNNXBMFYSA-N 1 0 306.425 3.201 50 0 DGAARO Clc1ccc([C@H](C[NH2+]C2CCOCC2)N2CCCC2)cc1 ZINC000534662735 334322513 /nfs/dbraw/zinc/32/25/13/334322513.db2.gz VNBUCVKLPATKHD-KRWDZBQOSA-N 1 0 308.853 3.246 50 0 DGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(Cl)c[nH]1 ZINC000025379204 501059933 /nfs/dbraw/zinc/05/99/33/501059933.db2.gz OFFFULDTNASOBA-UHFFFAOYSA-N 1 0 317.820 3.194 50 0 DGAARO Cc1ccsc1-c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)c1 ZINC000299777466 534454660 /nfs/dbraw/zinc/45/46/60/534454660.db2.gz JXZNIGIHDWUGDD-MRXNPFEDSA-N 1 0 314.454 3.500 50 0 DGAARO Fc1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)c(F)c1 ZINC000078969115 526336843 /nfs/dbraw/zinc/33/68/43/526336843.db2.gz NJJVHVQAGARHSQ-UHFFFAOYSA-N 1 0 303.356 3.118 50 0 DGAARO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cn1 ZINC000328588838 528841964 /nfs/dbraw/zinc/84/19/64/528841964.db2.gz RLSDVJJRLZTKOD-SFHVURJKSA-N 1 0 317.477 3.175 50 0 DGAARO C[C@@]1(O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)OC12CCCCC2 ZINC000000034438 545643247 /nfs/dbraw/zinc/64/32/47/545643247.db2.gz LBDHAMZCGPCEQR-KRWDZBQOSA-N 1 0 324.465 3.159 50 0 DGAARO Nc1cc(CCC[NH2+]Cc2ccsc2)nn1-c1ccccc1 ZINC000084569548 545791119 /nfs/dbraw/zinc/79/11/19/545791119.db2.gz DTJCRPKXMQPKDJ-UHFFFAOYSA-N 1 0 312.442 3.238 50 0 DGAARO C[C@@H]1CN(CCC[NH2+]Cc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000084706306 545794164 /nfs/dbraw/zinc/79/41/64/545794164.db2.gz YIJIIFAXJSPIFU-IAGOWNOFSA-N 1 0 312.457 3.429 50 0 DGAARO Cc1noc(C)c1CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000084958937 545795977 /nfs/dbraw/zinc/79/59/77/545795977.db2.gz KCAJZPYDNVWVJF-UHFFFAOYSA-N 1 0 316.401 3.175 50 0 DGAARO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccccc1N(C)C ZINC000090779787 545831233 /nfs/dbraw/zinc/83/12/33/545831233.db2.gz QKTAFNYVPHBCRC-QRWLVFNGSA-N 1 0 310.441 3.237 50 0 DGAARO COc1cccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1F ZINC000192710929 546236392 /nfs/dbraw/zinc/23/63/92/546236392.db2.gz SDUSHOPUOFUUFK-UHFFFAOYSA-N 1 0 303.377 3.352 50 0 DGAARO c1nc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n(-c2ccncc2)n1 ZINC000670435798 547753723 /nfs/dbraw/zinc/75/37/23/547753723.db2.gz YJKXBNAYZXTORN-OAHLLOKOSA-N 1 0 311.433 3.174 50 0 DGAARO O=C(NCCCC[NH+]1CCCCCC1)c1cncc(Cl)c1 ZINC000670463560 547758263 /nfs/dbraw/zinc/75/82/63/547758263.db2.gz XPOFHQDVBNMRBT-UHFFFAOYSA-N 1 0 309.841 3.121 50 0 DGAARO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000670467499 547758327 /nfs/dbraw/zinc/75/83/27/547758327.db2.gz UNMAFVLTLIUTCW-LBPRGKRZSA-N 1 0 302.340 3.083 50 0 DGAARO C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC1(CO)CCC1 ZINC000670468912 547758371 /nfs/dbraw/zinc/75/83/71/547758371.db2.gz UYTCXNCYQZVNRW-UHFFFAOYSA-N 1 0 305.315 3.439 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccccc1-n1cccn1 ZINC000675743726 548264001 /nfs/dbraw/zinc/26/40/01/548264001.db2.gz OMYDYFJXZBOCKK-HNNXBMFYSA-N 1 0 321.428 3.184 50 0 DGAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000685939548 549810304 /nfs/dbraw/zinc/81/03/04/549810304.db2.gz LYCMKBPCJILMSQ-DNVCBOLYSA-N 1 0 320.440 3.488 50 0 DGAARO O=C(c1ccc(Cl)cc1)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575605317 563865351 /nfs/dbraw/zinc/86/53/51/563865351.db2.gz JKBSICSUIJLODI-INIZCTEOSA-N 1 0 316.788 3.419 50 0 DGAARO COc1ccc([C@H]2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000170050477 563903407 /nfs/dbraw/zinc/90/34/07/563903407.db2.gz VOBXXFMDMYUACM-HKUYNNGSSA-N 1 0 324.424 3.101 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[C@@H](c2ccnn2C)C1 ZINC000888094126 618624801 /nfs/dbraw/zinc/62/48/01/618624801.db2.gz MLBHDFYQQILIOE-HZPDHXFCSA-N 1 0 323.444 3.004 50 0 DGAARO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCNc2ccccc2)cn1 ZINC000863983886 621724702 /nfs/dbraw/zinc/72/47/02/621724702.db2.gz MJYFKPJWKUUGAV-HKUYNNGSSA-N 1 0 312.461 3.223 50 0 DGAARO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000864091339 621735664 /nfs/dbraw/zinc/73/56/64/621735664.db2.gz SGISGTHFDGNOLM-ZBFHGGJFSA-N 1 0 300.402 3.467 50 0 DGAARO OCC[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)nc21)c1ccccc1 ZINC000787761173 625045955 /nfs/dbraw/zinc/04/59/55/625045955.db2.gz GLVYGKDDWDNGBK-HOTGVXAUSA-N 1 0 316.832 3.478 50 0 DGAARO C[C@H]1c2ccccc2CC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000106862663 627545088 /nfs/dbraw/zinc/54/50/88/627545088.db2.gz NDSWTNRXSQVDOE-AWEZNQCLSA-N 1 0 319.408 3.085 50 0 DGAARO CC(=O)N1CCC(CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000113247401 627549206 /nfs/dbraw/zinc/54/92/06/627549206.db2.gz KABNXEVGIHZNMF-UHFFFAOYSA-N 1 0 301.365 3.044 50 0 DGAARO CN1C[C@@H]2C[C@@H](c3cc4ccccc4s3)[N@@H+]3CCC[C@@]23C1=O ZINC000012300715 660501202 /nfs/dbraw/zinc/50/12/02/660501202.db2.gz SPYLALNDVOAXFZ-DEYYWGMASA-N 1 0 312.438 3.269 50 0 DGAARO Cc1oc(-c2cc(F)ccc2F)nc1CN(C)[C@H]1CCOC1 ZINC000012594120 660948186 /nfs/dbraw/zinc/94/81/86/660948186.db2.gz RJZQGNAMJIOOHG-LBPRGKRZSA-N 1 0 308.328 3.149 50 0 DGAARO Fc1ccc(N[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1F ZINC000012597334 660949232 /nfs/dbraw/zinc/94/92/32/660949232.db2.gz QKTDWGYXFRXJRP-HNNXBMFYSA-N 1 0 320.387 3.128 50 0 DGAARO COc1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc(OC)c1O ZINC000022018230 655588987 /nfs/dbraw/zinc/58/89/87/655588987.db2.gz RDNDTCZHCGMKQL-KRWDZBQOSA-N 1 0 324.380 3.126 50 0 DGAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3ccc(C)o3)C2)c1 ZINC000022851230 655754548 /nfs/dbraw/zinc/75/45/48/655754548.db2.gz VAYGGWJBXQHONV-QGZVFWFLSA-N 1 0 314.429 3.351 50 0 DGAARO OCC[C@@H]1C[N@H+](CC2CCCCC2)CCN1Cc1ccsc1 ZINC000022925985 655777246 /nfs/dbraw/zinc/77/72/46/655777246.db2.gz OZBVEZIYWIBNJC-GOSISDBHSA-N 1 0 322.518 3.197 50 0 DGAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3Cl)C2)C1 ZINC000012716520 656301041 /nfs/dbraw/zinc/30/10/41/656301041.db2.gz KRPMFIFQTFCVMF-GOSISDBHSA-N 1 0 322.880 3.274 50 0 DGAARO CSC[C@@H](C)[N@@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000015063387 658009097 /nfs/dbraw/zinc/00/90/97/658009097.db2.gz YHVPZUAEHZPOPE-LLVKDONJSA-N 1 0 305.422 3.325 50 0 DGAARO CCCC[C@@H]1C=CCN1c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067773640 658438253 /nfs/dbraw/zinc/43/82/53/658438253.db2.gz NVJMSQCYUFLIAA-MRXNPFEDSA-N 1 0 300.450 3.187 50 0 DGAARO Cc1ccsc1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019113247 658656650 /nfs/dbraw/zinc/65/66/50/658656650.db2.gz NMESKRHXERLYPK-UHFFFAOYSA-N 1 0 312.398 3.123 50 0 DGAARO CCn1cc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)cn1 ZINC000020448734 658714431 /nfs/dbraw/zinc/71/44/31/658714431.db2.gz HLUPVSIBOOHZEM-SFHVURJKSA-N 1 0 304.482 3.037 50 0 DGAARO Cc1cc(CC[NH+]2CCC(Oc3ccccc3F)CC2)on1 ZINC000020481612 658715210 /nfs/dbraw/zinc/71/52/10/658715210.db2.gz QPKZDVMWWKOBIP-UHFFFAOYSA-N 1 0 304.365 3.208 50 0 DGAARO c1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)n[nH]1 ZINC000020854404 658723494 /nfs/dbraw/zinc/72/34/94/658723494.db2.gz CQIDXYPMIVTWPG-HNNXBMFYSA-N 1 0 307.401 3.179 50 0 DGAARO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@H]2CCCOC2)s1 ZINC000183583359 660124957 /nfs/dbraw/zinc/12/49/57/660124957.db2.gz XSMBDLGGDLRMJH-SNVBAGLBSA-N 1 0 308.369 3.329 50 0 DGAARO Cc1ccsc1C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191770726 662080734 /nfs/dbraw/zinc/08/07/34/662080734.db2.gz TUNICKWYPVILPK-OAHLLOKOSA-N 1 0 318.417 3.086 50 0 DGAARO COc1cccc(N2CC[C@H](C[NH2+]C/C=C/c3ccco3)C2)c1 ZINC000083973541 662198388 /nfs/dbraw/zinc/19/83/88/662198388.db2.gz QOUAMSQWIWLASA-LERPRCHQSA-N 1 0 312.413 3.418 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)C3CC=CC3)cc2)CC1 ZINC000952962086 662208409 /nfs/dbraw/zinc/20/84/09/662208409.db2.gz ACEVKSGUIRQPIJ-UHFFFAOYSA-N 1 0 300.402 3.064 50 0 DGAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCCc1ccccc1Cl ZINC000952965669 662208873 /nfs/dbraw/zinc/20/88/73/662208873.db2.gz STRLPJQBOQMULN-MRXNPFEDSA-N 1 0 308.853 3.263 50 0 DGAARO Fc1ccccc1OCC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC000952966502 662209113 /nfs/dbraw/zinc/20/91/13/662209113.db2.gz WWBRHMABQBDMEV-UHFFFAOYSA-N 1 0 318.392 3.052 50 0 DGAARO CCc1nccn1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)s1 ZINC000952988830 662210530 /nfs/dbraw/zinc/21/05/30/662210530.db2.gz QFIGSBUKQHNZIV-UHFFFAOYSA-N 1 0 315.446 3.077 50 0 DGAARO CC(C)c1noc(CC[NH2+][C@H](C)c2ccccc2N(C)C)n1 ZINC000089556171 662245209 /nfs/dbraw/zinc/24/52/09/662245209.db2.gz IEWKXQJWYXTKNK-CYBMUJFWSA-N 1 0 302.422 3.152 50 0 DGAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2C)cc1OC ZINC000247721715 662327503 /nfs/dbraw/zinc/32/75/03/662327503.db2.gz BJWINLJNNDZOHB-QGTPRVQTSA-N 1 0 305.418 3.002 50 0 DGAARO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCCN2C(=O)[C@H]1C ZINC001772710798 1176676728 /nfs/dbraw/zinc/67/67/28/1176676728.db2.gz WPUUUSWJUGXVTA-NVXWUHKLSA-N 1 0 308.425 3.343 50 0 DGAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccnc2c(F)cc(F)cc12 ZINC001506398317 1186221514 /nfs/dbraw/zinc/22/15/14/1186221514.db2.gz BITJEPLEFQAQEQ-OLZOCXBDSA-N 1 0 303.356 3.186 50 0 DGAARO CCNc1ccnc(NC[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC001506401639 1186221919 /nfs/dbraw/zinc/22/19/19/1186221919.db2.gz NLZLGQLEFDKJLE-HNNXBMFYSA-N 1 0 317.481 3.365 50 0 DGAARO CN(CC[NH+]1CCCCCC1)[C@H]1CCN(c2ccccc2)C1 ZINC001506400497 1186222255 /nfs/dbraw/zinc/22/22/55/1186222255.db2.gz JXGVZWSSMREVRH-IBGZPJMESA-N 1 0 301.478 3.073 50 0 DGAARO Cc1cccc(CCC[NH2+][C@H]2CCC(=O)N(CC3CC3)CC2)c1 ZINC001506398862 1186222404 /nfs/dbraw/zinc/22/24/04/1186222404.db2.gz GUXPJYCBEVAAII-IBGZPJMESA-N 1 0 314.473 3.308 50 0 DGAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@@H+]1CC ZINC001506403740 1186222986 /nfs/dbraw/zinc/22/29/86/1186222986.db2.gz NQQJZFXJTQPJKR-HNNXBMFYSA-N 1 0 318.440 3.051 50 0 DGAARO Fc1ccccc1-c1cc(C[NH2+]C2CSCCSC2)on1 ZINC001506405233 1186223308 /nfs/dbraw/zinc/22/33/08/1186223308.db2.gz JAIGINNWEZPXSJ-UHFFFAOYSA-N 1 0 324.446 3.419 50 0 DGAARO Cc1ccc(NC(C)(C)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001506409212 1186224639 /nfs/dbraw/zinc/22/46/39/1186224639.db2.gz VWTFOSNUEPGKAK-MRXNPFEDSA-N 1 0 317.477 3.034 50 0 DGAARO CSc1ccc(NC(=O)N(C)C[C@@]2(C)CC[N@H+](C)C2)cc1 ZINC001506418481 1186224935 /nfs/dbraw/zinc/22/49/35/1186224935.db2.gz QCVMETCDCQHMRL-INIZCTEOSA-N 1 0 307.463 3.214 50 0 DGAARO COC[C@H](c1ccccn1)N(C)Cc1ccc(OC)c(F)c1 ZINC001506426626 1186226535 /nfs/dbraw/zinc/22/65/35/1186226535.db2.gz SQJZPIAIAAPJTL-MRXNPFEDSA-N 1 0 304.365 3.049 50 0 DGAARO c1ccc2sc(CC[NH2+]C3CSCCSC3)nc2c1 ZINC001506429689 1186227883 /nfs/dbraw/zinc/22/78/83/1186227883.db2.gz YVJCAZQGAUXQBK-UHFFFAOYSA-N 1 0 310.513 3.277 50 0 DGAARO Cc1cnc(C)c(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC001529102058 1187532149 /nfs/dbraw/zinc/53/21/49/1187532149.db2.gz UZKXATPBCWZMLZ-INIZCTEOSA-N 1 0 314.408 3.309 50 0 DGAARO FC(F)(F)SCC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC001529100002 1187532385 /nfs/dbraw/zinc/53/23/85/1187532385.db2.gz LPPUUYNJEZKWDR-UHFFFAOYSA-N 1 0 308.369 3.087 50 0 DGAARO CCc1nc(CN(C)CC2([NH+]3CCCCC3)CCCCC2)no1 ZINC001529173749 1187539331 /nfs/dbraw/zinc/53/93/31/1187539331.db2.gz PFPUWIXDLGLKTI-UHFFFAOYSA-N 1 0 320.481 3.253 50 0 DGAARO C[N@H+](Cc1cccc(-c2ccco2)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704302414 1202519757 /nfs/dbraw/zinc/51/97/57/1202519757.db2.gz JYAPTUPYKZHDLY-FGTMMUONSA-N 1 0 324.424 3.293 50 0 DGAARO Cc1cc(N[C@@H]2CC(=O)N(C)C2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC001704342021 1202521709 /nfs/dbraw/zinc/52/17/09/1202521709.db2.gz BZJNRWJPSVCBSK-LLVKDONJSA-N 1 0 323.318 3.205 50 0 DGAARO CC[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc2ncccc2c1 ZINC001704348135 1202522039 /nfs/dbraw/zinc/52/20/39/1202522039.db2.gz DERKWSUPLWITRR-QGZVFWFLSA-N 1 0 313.445 3.360 50 0 DGAARO Cc1cc(C)n(-c2cccc(C[N@@H+](C)[C@@H](C)c3ccncn3)c2)n1 ZINC001704347989 1202522214 /nfs/dbraw/zinc/52/22/14/1202522214.db2.gz JVKHBJMWKPXBCR-INIZCTEOSA-N 1 0 321.428 3.472 50 0 DGAARO Cc1nonc1C[N@@H+]1CCCC[C@@H]1CCc1cccc(O)c1 ZINC001704350757 1202522815 /nfs/dbraw/zinc/52/28/15/1202522815.db2.gz DFKDARKYDSDWEZ-OAHLLOKOSA-N 1 0 301.390 3.071 50 0 DGAARO Cc1nc2sc3c(c2c(N2CCC[C@H]([NH+](C)C)C2)n1)CCC3 ZINC000057838879 721895501 /nfs/dbraw/zinc/89/55/01/721895501.db2.gz AJRBZKJJAHKZDM-LBPRGKRZSA-N 1 0 316.474 3.019 50 0 DGAARO Cc1ccc([C@@H](C[NH2+]C2CSCCSC2)N(C)C)cc1 ZINC001506399197 1087285119 /nfs/dbraw/zinc/28/51/19/1087285119.db2.gz BKKABOXQLDJGOG-MRXNPFEDSA-N 1 0 310.532 3.036 50 0 DGAARO c1c(-c2cccnc2)nnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000048066910 1087764423 /nfs/dbraw/zinc/76/44/23/1087764423.db2.gz LNWVXTKQAMSVEO-INIZCTEOSA-N 1 0 323.444 3.333 50 0 DGAARO Fc1ccc(Cn2ncnc2[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000826589684 1091754848 /nfs/dbraw/zinc/75/48/48/1091754848.db2.gz HXGNTYZSEZZZGO-IAGOWNOFSA-N 1 0 314.408 3.197 50 0 DGAARO O=C(N1CCc2sccc2C1)C1([NH+]2CCCC2)CCCC1 ZINC000827661165 1091774760 /nfs/dbraw/zinc/77/47/60/1091774760.db2.gz IYJMYWCEKKYCLM-UHFFFAOYSA-N 1 0 304.459 3.041 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000827801494 1091779534 /nfs/dbraw/zinc/77/95/34/1091779534.db2.gz MEYCJMLHBBOGLE-YMVOSSCXSA-N 1 0 304.478 3.193 50 0 DGAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000575547757 1092047944 /nfs/dbraw/zinc/04/79/44/1092047944.db2.gz VSAZJNRROGRLTA-QGZVFWFLSA-N 1 0 322.412 3.459 50 0 DGAARO COc1cccc(C(=O)N2CCCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000581788125 1092271818 /nfs/dbraw/zinc/27/18/18/1092271818.db2.gz UEMVIAHRWJXVIM-QGZVFWFLSA-N 1 0 316.445 3.176 50 0 DGAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)c2cccn2C)CC1 ZINC000581788172 1092273198 /nfs/dbraw/zinc/27/31/98/1092273198.db2.gz WPSYLKVYESMTBX-KRWDZBQOSA-N 1 0 317.477 3.142 50 0 DGAARO CC(C)[N@@H+]1CC2(CCN(C(=O)C3CC3)CC2)[C@H]1c1ccccc1 ZINC000581803183 1092278656 /nfs/dbraw/zinc/27/86/56/1092278656.db2.gz SLCWLVSYHVIXIU-GOSISDBHSA-N 1 0 312.457 3.471 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000581806948 1092280235 /nfs/dbraw/zinc/28/02/35/1092280235.db2.gz FBQBCINYSGJJSW-HNNXBMFYSA-N 1 0 303.450 3.354 50 0 DGAARO Cc1cnc(C2CCOCC2)n1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581807029 1092281526 /nfs/dbraw/zinc/28/15/26/1092281526.db2.gz AASSNYPPJATOPS-QGZVFWFLSA-N 1 0 303.450 3.275 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581807089 1092281782 /nfs/dbraw/zinc/28/17/82/1092281782.db2.gz CBUYBYCALNRRND-KRWDZBQOSA-N 1 0 309.413 3.465 50 0 DGAARO COc1cc(OC)cc(N2CCC([NH2+][C@@H]3CCC3(C)C)CC2)c1 ZINC000585081432 1094972067 /nfs/dbraw/zinc/97/20/67/1094972067.db2.gz GZURNXFNFDQUSZ-GOSISDBHSA-N 1 0 318.461 3.451 50 0 DGAARO COc1ccc(F)c(C[NH2+]C[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000585085828 1094985046 /nfs/dbraw/zinc/98/50/46/1094985046.db2.gz AILFKSGFPUODLR-GFCCVEGCSA-N 1 0 314.360 3.050 50 0 DGAARO COCC[C@@H](C)[NH2+]Cc1cc(Br)cnc1Cl ZINC000585089179 1094992708 /nfs/dbraw/zinc/99/27/08/1094992708.db2.gz ZYEKCQXJUNJOPU-MRVPVSSYSA-N 1 0 307.619 3.012 50 0 DGAARO COc1cnc(F)c(CN[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000585117685 1095014289 /nfs/dbraw/zinc/01/42/89/1095014289.db2.gz SJHCXAIUUSSYJZ-CXAGYDPISA-N 1 0 317.408 3.010 50 0 DGAARO c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CSC4)no3)C2)cc1 ZINC000585120317 1095019261 /nfs/dbraw/zinc/01/92/61/1095019261.db2.gz HJHKUICZAIYYPZ-CQSZACIVSA-N 1 0 315.442 3.280 50 0 DGAARO O=c1ccc(C2CC2)nn1CC1CC[NH+](CC2CCCC2)CC1 ZINC000585506750 1096491052 /nfs/dbraw/zinc/49/10/52/1096491052.db2.gz XDHVMXCKSJOUOE-UHFFFAOYSA-N 1 0 315.461 3.023 50 0 DGAARO CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)no2)C1 ZINC000952877431 1096784163 /nfs/dbraw/zinc/78/41/63/1096784163.db2.gz PVFNBWPURVMDKJ-CYBMUJFWSA-N 1 0 301.390 3.335 50 0 DGAARO c1cn(Cc2ccncc2)c([C@@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000095499909 185374573 /nfs/dbraw/zinc/37/45/73/185374573.db2.gz DRCALIYZRDNVCQ-QGZVFWFLSA-N 1 0 319.412 3.105 50 0 DGAARO CC(C)[NH+]1CCC(CC(=O)N(C)[C@H](C)c2cncs2)CC1 ZINC000095507748 185375656 /nfs/dbraw/zinc/37/56/56/185375656.db2.gz CMULMVHWUSRRNX-CYBMUJFWSA-N 1 0 309.479 3.173 50 0 DGAARO COc1ccc([C@@H]2CN(Cc3ccc(C)o3)C[C@H]2[NH+](C)C)cc1 ZINC000095528404 185378308 /nfs/dbraw/zinc/37/83/08/185378308.db2.gz UPEWZLWYRDKQKN-RBUKOAKNSA-N 1 0 314.429 3.126 50 0 DGAARO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000103141445 432003477 /nfs/dbraw/zinc/00/34/77/432003477.db2.gz BRBPUWCDHPEWOT-GOSISDBHSA-N 1 0 317.454 3.411 50 0 DGAARO FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)n1 ZINC000278646562 214300173 /nfs/dbraw/zinc/30/01/73/214300173.db2.gz JGJAHMQGZSFPHU-RYUDHWBXSA-N 1 0 315.339 3.301 50 0 DGAARO Cc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC000328595256 231236116 /nfs/dbraw/zinc/23/61/16/231236116.db2.gz PFYPFAYFSSSBNO-IAGOWNOFSA-N 1 0 316.445 3.436 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000063193307 432004739 /nfs/dbraw/zinc/00/47/39/432004739.db2.gz NCTFUGXKQYIQQV-ZWNOBZJWSA-N 1 0 300.324 3.047 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2csc(C3CC3)n2)[C@H](CC)C1 ZINC000089949159 185271209 /nfs/dbraw/zinc/27/12/09/185271209.db2.gz ZUJJUNHZHFKKHQ-DOMZBBRYSA-N 1 0 321.490 3.147 50 0 DGAARO Cn1ccnc1[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000082086779 192354424 /nfs/dbraw/zinc/35/44/24/192354424.db2.gz YALTUKOCOLSOTQ-OAHLLOKOSA-N 1 0 317.408 3.208 50 0 DGAARO c1ccc(CCCN2CCCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000082099187 192354984 /nfs/dbraw/zinc/35/49/84/192354984.db2.gz RXTMJVQCAUFTNE-FQEVSTJZSA-N 1 0 316.489 3.242 50 0 DGAARO CCc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)o1 ZINC000092484892 185321571 /nfs/dbraw/zinc/32/15/71/185321571.db2.gz GNRPOAKKIAMXGS-UHFFFAOYSA-N 1 0 318.442 3.298 50 0 DGAARO Fc1cccc(-n2cc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)cn2)c1 ZINC000095391091 185351412 /nfs/dbraw/zinc/35/14/12/185351412.db2.gz NHFBIAOJTWDRCN-GOSISDBHSA-N 1 0 315.392 3.014 50 0 DGAARO Cc1ccc(C)c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000012348866 190636036 /nfs/dbraw/zinc/63/60/36/190636036.db2.gz PLVPAPVVUJLIPF-MRXNPFEDSA-N 1 0 302.443 3.398 50 0 DGAARO CCOC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccn2)CC1 ZINC000095398995 185353631 /nfs/dbraw/zinc/35/36/31/185353631.db2.gz SPRUMZPEECKPNR-UHFFFAOYSA-N 1 0 324.424 3.179 50 0 DGAARO OC[C@@H](C[NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1 ZINC000095415536 185358875 /nfs/dbraw/zinc/35/88/75/185358875.db2.gz SZDFAFHXBVQGEQ-OAHLLOKOSA-N 1 0 302.443 3.276 50 0 DGAARO Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000095418310 185359469 /nfs/dbraw/zinc/35/94/69/185359469.db2.gz SQFQXDXUSPEOHV-SWLSCSKDSA-N 1 0 309.841 3.452 50 0 DGAARO Fc1ccc(CC[NH+]2CCC(NCc3ccco3)CC2)cc1 ZINC000095419189 185359735 /nfs/dbraw/zinc/35/97/35/185359735.db2.gz RCYKXQMBAJBGJH-UHFFFAOYSA-N 1 0 302.393 3.215 50 0 DGAARO c1ccc(C[C@@H]([NH2+]Cc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000095419382 185359903 /nfs/dbraw/zinc/35/99/03/185359903.db2.gz RLJDOLBPQHYECT-QGZVFWFLSA-N 1 0 310.445 3.115 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000095410455 185357151 /nfs/dbraw/zinc/35/71/51/185357151.db2.gz ZQBGHHMWLOJLDG-BMFZPTHFSA-N 1 0 319.424 3.073 50 0 DGAARO COc1ccc(C[N@H+](CCCO)Cc2ccc(C)s2)cc1O ZINC000063844388 432007148 /nfs/dbraw/zinc/00/71/48/432007148.db2.gz YSCQSLMULBIHBT-UHFFFAOYSA-N 1 0 321.442 3.155 50 0 DGAARO Cc1nnc(NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000097002690 185396406 /nfs/dbraw/zinc/39/64/06/185396406.db2.gz OQNBAKFEVFZDOU-OAHLLOKOSA-N 1 0 302.447 3.404 50 0 DGAARO COc1ccc2c(c1)[C@@H]([NH2+]CCc1c(C)noc1C)CCCO2 ZINC000095422129 185360707 /nfs/dbraw/zinc/36/07/07/185360707.db2.gz VLMBVIKKVZVGSB-KRWDZBQOSA-N 1 0 316.401 3.346 50 0 DGAARO Cc1nc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cs1 ZINC000095422166 185360963 /nfs/dbraw/zinc/36/09/63/185360963.db2.gz LNLWYKMUSDDCEK-CYBMUJFWSA-N 1 0 316.474 3.162 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCSc3ccccc32)C1 ZINC000095423871 185361036 /nfs/dbraw/zinc/36/10/36/185361036.db2.gz QDKINYMPRFGIRF-UKRRQHHQSA-N 1 0 304.459 3.214 50 0 DGAARO Cc1cccn2c(C[NH2+][C@H](C)C[C@@H](O)c3ccccc3)cnc12 ZINC000095448816 185368331 /nfs/dbraw/zinc/36/83/31/185368331.db2.gz NXWDYXDPSSRCGI-CRAIPNDOSA-N 1 0 309.413 3.245 50 0 DGAARO C[C@@H](CO)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000095452688 185369246 /nfs/dbraw/zinc/36/92/46/185369246.db2.gz ZMUPPKNGCDTRRX-GFCCVEGCSA-N 1 0 317.260 3.134 50 0 DGAARO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cnn(C)c1C ZINC000095440163 185365897 /nfs/dbraw/zinc/36/58/97/185365897.db2.gz UFXXZKHITOSQFH-INIZCTEOSA-N 1 0 322.840 3.114 50 0 DGAARO COc1ccc(CN2CCC[N@@H+]([C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000095455302 185369793 /nfs/dbraw/zinc/36/97/93/185369793.db2.gz NJINLYLLAGYQDW-SJLPKXTDSA-N 1 0 302.462 3.392 50 0 DGAARO COc1cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc(Cl)c1OC ZINC000095457717 185370318 /nfs/dbraw/zinc/37/03/18/185370318.db2.gz STTWXGBGCLCVGD-NEPJUHHUSA-N 1 0 313.825 3.262 50 0 DGAARO C[NH+](C)CCNC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000095460913 185370853 /nfs/dbraw/zinc/37/08/53/185370853.db2.gz HAIKJLHJMCYAIP-UHFFFAOYSA-N 1 0 324.856 3.013 50 0 DGAARO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 ZINC000095463500 185371102 /nfs/dbraw/zinc/37/11/02/185371102.db2.gz UDNJZZKHWSPBAF-RDTXWAMCSA-N 1 0 317.429 3.443 50 0 DGAARO CCOC(=O)N(C)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000097032731 185399413 /nfs/dbraw/zinc/39/94/13/185399413.db2.gz PAKIFABMOPUXDF-UHFFFAOYSA-N 1 0 315.417 3.221 50 0 DGAARO CO[C@H](C)CCC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000097082338 185406996 /nfs/dbraw/zinc/40/69/96/185406996.db2.gz UXQPKFPGKIXHBK-UPTPFMHGSA-N 1 0 324.509 3.303 50 0 DGAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000097098606 185409244 /nfs/dbraw/zinc/40/92/44/185409244.db2.gz XZLQSDKYVUYQRP-MAUKXSAKSA-N 1 0 321.486 3.313 50 0 DGAARO COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1OC ZINC000097117792 185413046 /nfs/dbraw/zinc/41/30/46/185413046.db2.gz BYUJXRRRLOXPSN-HNNXBMFYSA-N 1 0 324.852 3.027 50 0 DGAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000178980946 530004926 /nfs/dbraw/zinc/00/49/26/530004926.db2.gz DOUHEUXYFFXDCH-MRXNPFEDSA-N 1 0 317.477 3.292 50 0 DGAARO Cc1cc(N[C@@H](C)Cc2ccncc2)nc(N2CCCCC2)[nH+]1 ZINC000065382487 432011828 /nfs/dbraw/zinc/01/18/28/432011828.db2.gz XAIXAWRLGAUUHU-AWEZNQCLSA-N 1 0 311.433 3.213 50 0 DGAARO Cc1ccc2nc(C)cc(C(=O)NCC(C)(C)C[NH+](C)C)c2c1 ZINC000069043142 190794885 /nfs/dbraw/zinc/79/48/85/190794885.db2.gz RBFTYNQWNZIQKB-UHFFFAOYSA-N 1 0 313.445 3.169 50 0 DGAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000071764136 191028204 /nfs/dbraw/zinc/02/82/04/191028204.db2.gz FHSRSJGKZVELFW-AWEZNQCLSA-N 1 0 307.397 3.127 50 0 DGAARO Cc1c(C[N@@H+]2CCC[C@@H](COc3cccc(F)c3)C2)cnn1C ZINC000072128405 191042714 /nfs/dbraw/zinc/04/27/14/191042714.db2.gz IAUFTBDZAJASGN-OAHLLOKOSA-N 1 0 317.408 3.159 50 0 DGAARO Cc1cc2occ(CC(=O)N3CCC[C@@H]([NH3+])CC3)c2cc1Cl ZINC000072154125 191058858 /nfs/dbraw/zinc/05/88/58/191058858.db2.gz GCCVZYWPCYQPQQ-CYBMUJFWSA-N 1 0 320.820 3.277 50 0 DGAARO c1cc2c(cc1OC[C@@H]1CCC[N@@H+]3CCCC[C@H]13)OCCO2 ZINC000072157915 191060991 /nfs/dbraw/zinc/06/09/91/191060991.db2.gz XDOQGNOZCAMGPC-GOEBONIOSA-N 1 0 303.402 3.101 50 0 DGAARO C(=C/c1ccccc1)\C[NH+]1CCN(c2ccc3cc[nH]c3n2)CC1 ZINC000072163594 191063135 /nfs/dbraw/zinc/06/31/35/191063135.db2.gz KRFIHFOQAVMUSS-QPJJXVBHSA-N 1 0 318.424 3.398 50 0 DGAARO CCc1ccccc1OC1CN(Cc2ccc(CC[NH3+])cc2)C1 ZINC000072163368 191064242 /nfs/dbraw/zinc/06/42/42/191064242.db2.gz USJGQGDLEGZLKH-UHFFFAOYSA-N 1 0 310.441 3.013 50 0 DGAARO OCCCCCC[N@@H+]1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072169653 191068599 /nfs/dbraw/zinc/06/85/99/191068599.db2.gz IERNTNLXKMAOBV-INIZCTEOSA-N 1 0 305.397 3.392 50 0 DGAARO O=C(/C=C/c1ccsc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072297639 191112719 /nfs/dbraw/zinc/11/27/19/191112719.db2.gz WGVKFXLYFVSJQB-DWTRPJMMSA-N 1 0 304.459 3.096 50 0 DGAARO O=C(CCc1ccsc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072297638 191113220 /nfs/dbraw/zinc/11/32/20/191113220.db2.gz CFYZQGJCZUTEFH-INIZCTEOSA-N 1 0 306.475 3.015 50 0 DGAARO C[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)[NH+]1CCCCCC1 ZINC000072300312 191114253 /nfs/dbraw/zinc/11/42/53/191114253.db2.gz AOTPZTFIZZQXID-CABCVRRESA-N 1 0 321.490 3.114 50 0 DGAARO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CC2CC[NH2+]CC2)C1 ZINC000237497298 186297854 /nfs/dbraw/zinc/29/78/54/186297854.db2.gz AFQPHNXZOPXLMH-CXAGYDPISA-N 1 0 304.409 3.125 50 0 DGAARO Cc1nc(C)c(C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000253397567 186305905 /nfs/dbraw/zinc/30/59/05/186305905.db2.gz BMZOOEOIMFXWJS-LSDHHAIUSA-N 1 0 321.490 3.096 50 0 biogenic DGAARO CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(-n2ccnc2)cc1 ZINC000072411589 191154539 /nfs/dbraw/zinc/15/45/39/191154539.db2.gz WPYOVHSNSOTOMR-LJQANCHMSA-N 1 0 321.428 3.343 50 0 DGAARO C[NH+]1CCC(CNC(=O)Nc2csc3ccccc23)CC1 ZINC000000159390 180711923 /nfs/dbraw/zinc/71/19/23/180711923.db2.gz SCOIJCLXSWVPGF-UHFFFAOYSA-N 1 0 303.431 3.365 50 0 DGAARO c1cc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cs1 ZINC000072476741 191178397 /nfs/dbraw/zinc/17/83/97/191178397.db2.gz IYZDJFHDJYXVBZ-LJQANCHMSA-N 1 0 312.482 3.423 50 0 DGAARO C[C@H](Cc1ccccc1)[NH2+]CCC(=O)N[C@@H](C)Cc1ccccc1 ZINC000002116125 180910970 /nfs/dbraw/zinc/91/09/70/180910970.db2.gz QYOZODNWEZVAND-MSOLQXFVSA-N 1 0 324.468 3.345 50 0 biogenic DGAARO O=C(NC[C@H]1CCC[NH2+]1)OCC1c2ccccc2-c2ccccc21 ZINC000002598107 180938756 /nfs/dbraw/zinc/93/87/56/180938756.db2.gz USRVCSZMWYOWQY-CQSZACIVSA-N 1 0 322.408 3.277 50 0 DGAARO CCCSc1ncc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000067642686 432033928 /nfs/dbraw/zinc/03/39/28/432033928.db2.gz YDCBLDZGOZWORR-RDJZCZTQSA-N 1 0 321.490 3.106 50 0 DGAARO COCCC[NH2+]CCOCCOc1cc(Cl)ccc1Cl ZINC000002981186 180973590 /nfs/dbraw/zinc/97/35/90/180973590.db2.gz ULNAETDJHAZPKT-UHFFFAOYSA-N 1 0 322.232 3.015 50 0 DGAARO COCCC[NH2+]CCCOc1ccc(C)cc1Br ZINC000003000800 180976001 /nfs/dbraw/zinc/97/60/01/180976001.db2.gz STWOTKSCFBVDML-UHFFFAOYSA-N 1 0 316.239 3.153 50 0 DGAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003430009 181018006 /nfs/dbraw/zinc/01/80/06/181018006.db2.gz MOFXXWBWQRVYTA-UHFFFAOYSA-N 1 0 304.312 3.302 50 0 DGAARO CCC[NH+]1CCC(Cc2noc([C@@H]3CCOC(C)(C)C3)n2)CC1 ZINC000067688684 432036340 /nfs/dbraw/zinc/03/63/40/432036340.db2.gz XJPAZNBHFHGRRW-OAHLLOKOSA-N 1 0 321.465 3.407 50 0 DGAARO COc1ccc(CC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004027443 181064700 /nfs/dbraw/zinc/06/47/00/181064700.db2.gz IKCKHIMVLASZLO-FUHWJXTLSA-N 1 0 317.429 3.045 50 0 biogenic DGAARO C[n+]1ccc(CNC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000004106326 181074032 /nfs/dbraw/zinc/07/40/32/181074032.db2.gz DLWJWEROUIMBLP-UHFFFAOYSA-O 1 0 319.384 3.233 50 0 DGAARO COc1cccc(-c2nccn2CC[C@@H]2CCC[N@@H+]2C)c1OC ZINC000067724941 432037967 /nfs/dbraw/zinc/03/79/67/432037967.db2.gz DJSQEOIRDZLKTH-AWEZNQCLSA-N 1 0 315.417 3.052 50 0 DGAARO C[C@@H](c1cn(CCC23CCC[NH+]2CCC3)nn1)c1ccccc1 ZINC000067723469 432038417 /nfs/dbraw/zinc/03/84/17/432038417.db2.gz UJNOIDHAIVQYAK-MRXNPFEDSA-N 1 0 310.445 3.448 50 0 DGAARO O=C(C[NH2+]Cc1cccs1)Nc1ccccc1C(F)(F)F ZINC000004454852 181110880 /nfs/dbraw/zinc/11/08/80/181110880.db2.gz PIELTTSFDORNLN-UHFFFAOYSA-N 1 0 314.332 3.495 50 0 DGAARO O=C(c1ccco1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004573376 181126314 /nfs/dbraw/zinc/12/63/14/181126314.db2.gz UYUXLIFUKLMGBU-UHFFFAOYSA-N 1 0 314.429 3.006 50 0 DGAARO Cc1ccc(CC[S@](=O)c2ccc(C(C)C)cc2)c[n+]1C ZINC000004697660 181138608 /nfs/dbraw/zinc/13/86/08/181138608.db2.gz WACVRQLVPYOHKN-OAQYLSRUSA-N 1 0 302.463 3.293 50 0 DGAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000067803785 432040333 /nfs/dbraw/zinc/04/03/33/432040333.db2.gz CEPLRUNZFJKOEG-AWEZNQCLSA-N 1 0 314.385 3.144 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000004744550 181146012 /nfs/dbraw/zinc/14/60/12/181146012.db2.gz ICBZZRVURQPCGZ-IAGOWNOFSA-N 1 0 314.473 3.198 50 0 DGAARO Cc1oc(-c2ccco2)nc1C[N@H+](C)CCC1CCOCC1 ZINC000067788189 432041206 /nfs/dbraw/zinc/04/12/06/432041206.db2.gz OXRCIDFMYWLZRJ-UHFFFAOYSA-N 1 0 304.390 3.492 50 0 DGAARO CC[C@@H]([NH2+][C@H](C)Cn1cc(Br)cn1)c1ccncc1 ZINC000163711753 432042011 /nfs/dbraw/zinc/04/20/11/432042011.db2.gz KNQAJUOKOIXNTA-BXUZGUMPSA-N 1 0 323.238 3.170 50 0 DGAARO O[C@@H](COc1ccc([C@H]2C=CCC2)cc1)C[NH+]1CCCCC1 ZINC000004819729 181156473 /nfs/dbraw/zinc/15/64/73/181156473.db2.gz OOORMPLAZXXCBH-FUHWJXTLSA-N 1 0 301.430 3.346 50 0 DGAARO C[N@@H+]1CCC[C@@H]1CCn1ccnc1-c1cc(C(C)(C)C)[nH]n1 ZINC000067854731 432043333 /nfs/dbraw/zinc/04/33/33/432043333.db2.gz CIODEZVTCNJDCU-CYBMUJFWSA-N 1 0 301.438 3.055 50 0 DGAARO Cc1ccccc1O[C@@H](C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004832200 181158686 /nfs/dbraw/zinc/15/86/86/181158686.db2.gz GUCGRPPINCLTAI-AWEZNQCLSA-N 1 0 318.461 3.188 50 0 DGAARO C[C@H]1C(c2ccc(F)cc2)[N+](=O)[C@](C)(c2ccccc2)N1O ZINC000004833422 181159210 /nfs/dbraw/zinc/15/92/10/181159210.db2.gz OYIXZKPXBNPMNM-YVEFUNNKSA-N 1 0 300.333 3.091 50 0 DGAARO Cc1cccc2c(-c3ccc(CN4CC[NH+](C)CC4)cn3)c[nH]c21 ZINC000067947828 432046480 /nfs/dbraw/zinc/04/64/80/432046480.db2.gz VTBISQVDXRBHQD-UHFFFAOYSA-N 1 0 320.440 3.286 50 0 DGAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000004987049 181185056 /nfs/dbraw/zinc/18/50/56/181185056.db2.gz AQXLOQKVLWCEKE-UHFFFAOYSA-N 1 0 320.230 3.444 50 0 DGAARO CCOC(=O)C1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC000004990246 181185843 /nfs/dbraw/zinc/18/58/43/181185843.db2.gz HUJMPUYNTBCMHQ-UHFFFAOYSA-N 1 0 305.418 3.087 50 0 DGAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCc1ccccc1F ZINC000075568156 191491959 /nfs/dbraw/zinc/49/19/59/191491959.db2.gz FLVOGVOMVYQBEC-CQSZACIVSA-N 1 0 300.377 3.375 50 0 DGAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@@H](C)O)o1 ZINC000004999730 181188110 /nfs/dbraw/zinc/18/81/10/181188110.db2.gz FILFBWYYZNLJMW-LLVKDONJSA-N 1 0 324.218 3.488 50 0 DGAARO CCC[NH+](CCC)CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000005005647 181188811 /nfs/dbraw/zinc/18/88/11/181188811.db2.gz CPCPCCMHQLIJCM-UHFFFAOYSA-N 1 0 321.465 3.076 50 0 DGAARO COC(=O)COc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000005027721 181192693 /nfs/dbraw/zinc/19/26/93/181192693.db2.gz JWTVUNXNKQYJPJ-UHFFFAOYSA-N 1 0 305.418 3.441 50 0 DGAARO Cc1cc(NCCC[NH+](C)C)n2ncc(-c3ccccc3)c2n1 ZINC000005556685 181256807 /nfs/dbraw/zinc/25/68/07/181256807.db2.gz HUEKFCSBHFGZDL-UHFFFAOYSA-N 1 0 309.417 3.068 50 0 DGAARO CC(=O)NC1CCC([NH2+]Cc2ccccc2OC2CCC2)CC1 ZINC000133533550 432066095 /nfs/dbraw/zinc/06/60/95/432066095.db2.gz JQGRNDSPQNGLNU-UHFFFAOYSA-N 1 0 316.445 3.155 50 0 DGAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COCc1ccco1 ZINC000169679266 432071352 /nfs/dbraw/zinc/07/13/52/432071352.db2.gz AFPFLSLMUWCZEJ-GDBMZVCRSA-N 1 0 321.417 3.359 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COCc1ccco1 ZINC000169679267 432071651 /nfs/dbraw/zinc/07/16/51/432071651.db2.gz AFPFLSLMUWCZEJ-GOEBONIOSA-N 1 0 321.417 3.359 50 0 DGAARO C[C@H](c1cccc(O)c1)[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC000170612235 432073539 /nfs/dbraw/zinc/07/35/39/432073539.db2.gz MLWACHMZGLKDPZ-CQSZACIVSA-N 1 0 305.418 3.318 50 0 DGAARO CC[NH+](CC)[C@@H]1CCN(Cc2cn(C)nc2-c2ccccc2)C1 ZINC000179669269 199073374 /nfs/dbraw/zinc/07/33/74/199073374.db2.gz NBVCTPCCOQSHHY-GOSISDBHSA-N 1 0 312.461 3.003 50 0 DGAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc2c1OCCO2 ZINC000237310699 202225999 /nfs/dbraw/zinc/22/59/99/202225999.db2.gz IBHXWOMLRPDMID-AWEZNQCLSA-N 1 0 313.397 3.274 50 0 DGAARO NC(=O)c1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000058355077 283375626 /nfs/dbraw/zinc/37/56/26/283375626.db2.gz MXFDOLAQIHUZCT-IBGZPJMESA-N 1 0 306.409 3.437 50 0 DGAARO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(Oc2ccccc2)cc1 ZINC000005938506 181298421 /nfs/dbraw/zinc/29/84/21/181298421.db2.gz INQFYMZPQQUPIU-IBGZPJMESA-N 1 0 322.408 3.303 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2F)N1 ZINC000039404034 283409822 /nfs/dbraw/zinc/40/98/22/283409822.db2.gz UXQKKOKMZFJCIF-CYBMUJFWSA-N 1 0 315.739 3.116 50 0 DGAARO CCc1ccnc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000180164829 432080086 /nfs/dbraw/zinc/08/00/86/432080086.db2.gz LHZGZAOGEPUKLQ-KRWDZBQOSA-N 1 0 321.424 3.269 50 0 DGAARO C[C@H]([NH2+]CCCn1cccn1)c1ccc(Br)s1 ZINC000089905012 299295769 /nfs/dbraw/zinc/29/57/69/299295769.db2.gz CYXKQWOIWRDECS-JTQLQIEISA-N 1 0 314.252 3.448 50 0 DGAARO CCCN(CCC[NH+](C)C)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000242106212 202471102 /nfs/dbraw/zinc/47/11/02/202471102.db2.gz WHWXSCBTPCSHJG-UHFFFAOYSA-N 1 0 319.424 3.040 50 0 DGAARO C[N@H+](C[C@H](O)COc1ccc2c(c1)CCC2)C1CCCCC1 ZINC000006001490 181305047 /nfs/dbraw/zinc/30/50/47/181305047.db2.gz KVAAUYXCZPVBAL-SFHVURJKSA-N 1 0 303.446 3.180 50 0 DGAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000191330767 200673331 /nfs/dbraw/zinc/67/33/31/200673331.db2.gz CRIBWQXHTFIRCY-MGPQQGTHSA-N 1 0 313.228 3.047 50 0 DGAARO C[C@H]([NH2+]CCc1ccccn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000089904808 192902421 /nfs/dbraw/zinc/90/24/21/192902421.db2.gz QBJBSRFZKULGPB-AWEZNQCLSA-N 1 0 324.428 3.259 50 0 DGAARO C[C@@H](C[NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1 ZINC000194333587 201204318 /nfs/dbraw/zinc/20/43/18/201204318.db2.gz WMQHEOVSUDOCRJ-HNNXBMFYSA-N 1 0 317.454 3.125 50 0 DGAARO C[C@@H](C[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000194530370 201244169 /nfs/dbraw/zinc/24/41/69/201244169.db2.gz DEGSKNOOQJNBKU-HOTGVXAUSA-N 1 0 321.424 3.178 50 0 DGAARO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000006454941 181341947 /nfs/dbraw/zinc/34/19/47/181341947.db2.gz ZYFHGZJQRRTHOF-DZGCQCFKSA-N 1 0 305.805 3.431 50 0 DGAARO CC(C)(C)OC(=O)N1CCC(CC[NH3+])(c2ccc(F)cc2)CC1 ZINC000205360815 201427428 /nfs/dbraw/zinc/42/74/28/201427428.db2.gz MKGLXCGJWSSGKP-UHFFFAOYSA-N 1 0 322.424 3.443 50 0 DGAARO O=C(C[NH+]1CCCCCC1)N1CCCC[C@H]1c1cccnc1 ZINC000065420974 283814800 /nfs/dbraw/zinc/81/48/00/283814800.db2.gz XVJHKPZIQDTQHG-KRWDZBQOSA-N 1 0 301.434 3.011 50 0 DGAARO CCOC(=O)C1CC[NH+](CCCCOc2cccc(C)c2)CC1 ZINC000006702366 181373599 /nfs/dbraw/zinc/37/35/99/181373599.db2.gz VVEHBLNYHJSPNT-UHFFFAOYSA-N 1 0 319.445 3.429 50 0 DGAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1nnc2ccccn21 ZINC000091266178 193028229 /nfs/dbraw/zinc/02/82/29/193028229.db2.gz HRWYDZJLDLUKCH-ZDUSSCGKSA-N 1 0 314.820 3.146 50 0 DGAARO Cc1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000091518697 193068405 /nfs/dbraw/zinc/06/84/05/193068405.db2.gz HTUMDBXQQOSXAF-PZJWPPBQSA-N 1 0 321.468 3.486 50 0 DGAARO COCCC[C@]1(CO)CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000091468337 193060095 /nfs/dbraw/zinc/06/00/95/193060095.db2.gz ZFQAZGSDSULWJB-LJQANCHMSA-N 1 0 305.462 3.305 50 0 DGAARO CSc1cccc(CN(C)C(=O)[C@H]2CCCCC[N@@H+]2C)c1 ZINC000091664743 193087119 /nfs/dbraw/zinc/08/71/19/193087119.db2.gz NLLOVTFZVJDWTC-MRXNPFEDSA-N 1 0 306.475 3.241 50 0 DGAARO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091695030 193092778 /nfs/dbraw/zinc/09/27/78/193092778.db2.gz ZTLXAXHNAOSSIW-GFCCVEGCSA-N 1 0 311.360 3.255 50 0 DGAARO CC[C@@H]([NH2+]Cc1cc(=O)c2c(C)ccc(C)c2[nH]1)c1cnn(C)c1 ZINC000091636100 193082801 /nfs/dbraw/zinc/08/28/01/193082801.db2.gz YHYGEMRQYWAGMG-MRXNPFEDSA-N 1 0 324.428 3.119 50 0 DGAARO CCCCn1nc(CC2CC[NH+](C)CC2)nc1-c1ccncc1 ZINC000091964975 193134183 /nfs/dbraw/zinc/13/41/83/193134183.db2.gz SNTFQRXPZZFKRF-UHFFFAOYSA-N 1 0 313.449 3.025 50 0 DGAARO Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)CC1CC[NH+](C(C)C)CC1 ZINC000091985654 193136205 /nfs/dbraw/zinc/13/62/05/193136205.db2.gz XHJYSKQLYGWVST-OAHLLOKOSA-N 1 0 320.481 3.056 50 0 DGAARO Oc1cccc(C[NH+]2CCC(Nc3cc(C4CC4)ncn3)CC2)c1 ZINC000092038556 193145294 /nfs/dbraw/zinc/14/52/94/193145294.db2.gz AXTPLPGRIOYYSV-UHFFFAOYSA-N 1 0 324.428 3.136 50 0 DGAARO O=C(C[C@@H]1CCc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000092061672 193150872 /nfs/dbraw/zinc/15/08/72/193150872.db2.gz DBRTUAJKKHTYEX-KRWDZBQOSA-N 1 0 312.457 3.193 50 0 DGAARO C[NH+]1CCC2(CCN(C(=O)c3ccc(F)cc3Cl)C2)CC1 ZINC000223120249 201634012 /nfs/dbraw/zinc/63/40/12/201634012.db2.gz SBJYYLXCOGWZPC-UHFFFAOYSA-N 1 0 310.800 3.037 50 0 DGAARO Cn1cccc1C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000093581870 193270188 /nfs/dbraw/zinc/27/01/88/193270188.db2.gz ONAUFKQJXVGYQC-UHFFFAOYSA-N 1 0 312.339 3.147 50 0 DGAARO OCc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)o1 ZINC000093757069 193301122 /nfs/dbraw/zinc/30/11/22/193301122.db2.gz GCDUNBKIJLFZEG-AWEZNQCLSA-N 1 0 303.427 3.386 50 0 DGAARO c1cc(-c2cccnc2)oc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093865782 193321298 /nfs/dbraw/zinc/32/12/98/193321298.db2.gz OMTIXHVIJSZSAD-GOSISDBHSA-N 1 0 321.380 3.390 50 0 DGAARO CCC[NH+]1CCC(NC(=O)COc2ccc(Cl)cc2C)CC1 ZINC000008130589 181528635 /nfs/dbraw/zinc/52/86/35/181528635.db2.gz OYPGELDQIZYANU-UHFFFAOYSA-N 1 0 324.852 3.018 50 0 DGAARO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000010277491 181663526 /nfs/dbraw/zinc/66/35/26/181663526.db2.gz MOIBBDCIANKLQA-IGCXYCKISA-N 1 0 302.418 3.385 50 0 DGAARO CCCC[N@@H+]1CCc2nc(Nc3ccccc3OC)ncc2C1 ZINC000015778861 182016725 /nfs/dbraw/zinc/01/67/25/182016725.db2.gz TZIVFGVJVWWXIC-UHFFFAOYSA-N 1 0 312.417 3.387 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@@H](CC)Oc2ccccc2C)CC1 ZINC000016580579 182050981 /nfs/dbraw/zinc/05/09/81/182050981.db2.gz RPOHJXBAKMNAQQ-QGZVFWFLSA-N 1 0 318.461 3.143 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Cl)CC1 ZINC000016602755 182051534 /nfs/dbraw/zinc/05/15/34/182051534.db2.gz MQNXCLUKUFVCHN-ZDUSSCGKSA-N 1 0 324.852 3.098 50 0 DGAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(C)=O)ccc21 ZINC000016650066 182056071 /nfs/dbraw/zinc/05/60/71/182056071.db2.gz KZXBVURBRZSRBW-UHFFFAOYSA-N 1 0 314.433 3.247 50 0 DGAARO COc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019359699 182118485 /nfs/dbraw/zinc/11/84/85/182118485.db2.gz ZTAZSXIAIPIZNM-KRWDZBQOSA-N 1 0 300.446 3.169 50 0 DGAARO CC[NH+](CC)CCN[C@H](C(=O)OCCC(C)C)c1ccccc1 ZINC000019369227 182120177 /nfs/dbraw/zinc/12/01/77/182120177.db2.gz RYOOHIUJEJZCFT-SFHVURJKSA-N 1 0 320.477 3.248 50 0 world DGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000019745915 182141932 /nfs/dbraw/zinc/14/19/32/182141932.db2.gz HHBBUHOVCDGHOV-LJQANCHMSA-N 1 0 310.441 3.489 50 0 DGAARO c1cc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)ccn1 ZINC000019904718 182162270 /nfs/dbraw/zinc/16/22/70/182162270.db2.gz HARKKKOJTUCWOW-UHFFFAOYSA-N 1 0 311.473 3.024 50 0 DGAARO Cc1ccc(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020046654 182183513 /nfs/dbraw/zinc/18/35/13/182183513.db2.gz XXYGLKSKULBOND-CALCHBBNSA-N 1 0 302.462 3.022 50 0 DGAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020100458 182186855 /nfs/dbraw/zinc/18/68/55/182186855.db2.gz FSWJBWBCOVRRDH-UHFFFAOYSA-N 1 0 318.436 3.487 50 0 DGAARO CCCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102770 182186882 /nfs/dbraw/zinc/18/68/82/182186882.db2.gz AXJLEVAXGOSEDX-UHFFFAOYSA-N 1 0 308.853 3.468 50 0 DGAARO CCOc1cc2c(cc1OC)[C@H](c1ccccc1F)[NH2+]CC2 ZINC000020494340 182224504 /nfs/dbraw/zinc/22/45/04/182224504.db2.gz CIJTZVJQMXVXTP-SFHVURJKSA-N 1 0 301.361 3.468 50 0 biogenic DGAARO Cc1ccc(C)c(OCCCC[NH+]2CCN(C)CC2)c1Cl ZINC000020652999 182242225 /nfs/dbraw/zinc/24/22/25/182242225.db2.gz JZVXGSYDIYXBDI-UHFFFAOYSA-N 1 0 310.869 3.363 50 0 DGAARO CC[C@@H](C)Oc1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000020652951 182242353 /nfs/dbraw/zinc/24/23/53/182242353.db2.gz LLKUXIZTJYKJBX-MRXNPFEDSA-N 1 0 307.434 3.355 50 0 DGAARO Fc1ccc(-n2cccn2)c(C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000020601150 182236404 /nfs/dbraw/zinc/23/64/04/182236404.db2.gz OJCYVWLTZJGKNT-QGZVFWFLSA-N 1 0 323.371 3.105 50 0 DGAARO c1cnn(CCC2CC[NH+](CCn3cnc4ccccc43)CC2)c1 ZINC000020862389 182250242 /nfs/dbraw/zinc/25/02/42/182250242.db2.gz OARXDSFYFHPRIC-UHFFFAOYSA-N 1 0 323.444 3.035 50 0 DGAARO Cc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1C ZINC000020999570 182258640 /nfs/dbraw/zinc/25/86/40/182258640.db2.gz YPKCDBZOFAVJQT-IBGZPJMESA-N 1 0 318.505 3.218 50 0 DGAARO CC1CC[NH+](CC2CCN(C(=O)NC3CCCC3)CC2)CC1 ZINC000021718095 182285166 /nfs/dbraw/zinc/28/51/66/182285166.db2.gz UVMCJCPFQDNZIC-UHFFFAOYSA-N 1 0 307.482 3.083 50 0 DGAARO O=C(NCc1ccccc1)c1cc[n+](Cc2cccc(F)c2)cc1 ZINC000021658131 182282644 /nfs/dbraw/zinc/28/26/44/182282644.db2.gz GHCWOGAOCHPKDA-UHFFFAOYSA-O 1 0 321.375 3.092 50 0 DGAARO c1ccc(-c2ccccc2OCCCCN2CC[NH2+]CC2)cc1 ZINC000022032690 182305889 /nfs/dbraw/zinc/30/58/89/182305889.db2.gz WNPUDEPUJPPBJP-UHFFFAOYSA-N 1 0 310.441 3.418 50 0 DGAARO CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(O)CC2)cc1 ZINC000022053576 182307173 /nfs/dbraw/zinc/30/71/73/182307173.db2.gz HUFTWIJFTZKVMR-UHFFFAOYSA-N 1 0 303.446 3.404 50 0 in-vitro DGAARO COc1ccccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000022474531 182322745 /nfs/dbraw/zinc/32/27/45/182322745.db2.gz SDCIZXPCNGWNJR-UHFFFAOYSA-N 1 0 305.422 3.126 50 0 DGAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2OC)cc2c1OCO2 ZINC000022779968 182334203 /nfs/dbraw/zinc/33/42/03/182334203.db2.gz JTUABDFWWFIACJ-LBPRGKRZSA-N 1 0 315.369 3.283 50 0 DGAARO COc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)cc2c1OCCO2 ZINC000022794407 182335165 /nfs/dbraw/zinc/33/51/65/182335165.db2.gz SBCNWYOGSFYOTK-LBPRGKRZSA-N 1 0 303.358 3.219 50 0 DGAARO CC(C)CC[N@@H+]1CCN(Cc2ccccc2Cl)C[C@@H]1CCO ZINC000022851428 182336851 /nfs/dbraw/zinc/33/68/51/182336851.db2.gz IGHOOLCYHLFTPZ-KRWDZBQOSA-N 1 0 324.896 3.255 50 0 DGAARO [NH3+]CCN[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000022917497 182340667 /nfs/dbraw/zinc/34/06/67/182340667.db2.gz JFLGIHIFFXKPHW-OAHLLOKOSA-N 1 0 305.219 3.087 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000023480172 182362283 /nfs/dbraw/zinc/36/22/83/182362283.db2.gz SIFIKXCENQXSHO-HXUWFJFHSA-N 1 0 323.440 3.009 50 0 DGAARO CC1(C)CC(Nc2nccc(C(F)(F)F)n2)CC(C)(C)[NH2+]1 ZINC000024056024 182374044 /nfs/dbraw/zinc/37/40/44/182374044.db2.gz AADUUECUYXBTGK-UHFFFAOYSA-N 1 0 302.344 3.217 50 0 DGAARO Cc1cc(CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)ccc1F ZINC000024687044 182387487 /nfs/dbraw/zinc/38/74/87/182387487.db2.gz YKAUIENNJFNPGH-HNNXBMFYSA-N 1 0 314.404 3.443 50 0 DGAARO CCC(CC)[C@H](CNC(=O)Nc1cccc(OC)c1)[NH+](C)C ZINC000024989517 182397558 /nfs/dbraw/zinc/39/75/58/182397558.db2.gz PDEBIGFUFLOQDU-INIZCTEOSA-N 1 0 307.438 3.183 50 0 DGAARO Cc1cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)no1 ZINC000024984318 182397152 /nfs/dbraw/zinc/39/71/52/182397152.db2.gz MOBQSUBNEJLMIY-UHFFFAOYSA-N 1 0 321.424 3.454 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1O)c1ccsc1 ZINC000040070898 183030662 /nfs/dbraw/zinc/03/06/62/183030662.db2.gz PIOAYBJDIDMESF-CYBMUJFWSA-N 1 0 324.833 3.140 50 0 DGAARO Cc1[nH]c2ccc(C)cc2c1CC(=O)NCC(C)(C)C[NH+](C)C ZINC000040070007 183030901 /nfs/dbraw/zinc/03/09/01/183030901.db2.gz ZIUOKSNHFYHEPF-UHFFFAOYSA-N 1 0 315.461 3.031 50 0 DGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cn(C)c3ccccc13)C2 ZINC000039455501 183018139 /nfs/dbraw/zinc/01/81/39/183018139.db2.gz FEKBTWDSIHHOPZ-INIZCTEOSA-N 1 0 322.408 3.280 50 0 DGAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cn(C)c3ccccc13)C2 ZINC000039455500 183018852 /nfs/dbraw/zinc/01/88/52/183018852.db2.gz FEKBTWDSIHHOPZ-MRXNPFEDSA-N 1 0 322.408 3.280 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000040107593 183036350 /nfs/dbraw/zinc/03/63/50/183036350.db2.gz AIZIHTVOFCCXMT-TXEJJXNPSA-N 1 0 312.816 3.187 50 0 DGAARO O=C(CCCc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000040541761 183097685 /nfs/dbraw/zinc/09/76/85/183097685.db2.gz XAKPKXMCKOGSRP-UHFFFAOYSA-N 1 0 314.473 3.344 50 0 DGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2)o1 ZINC000040555261 183101912 /nfs/dbraw/zinc/10/19/12/183101912.db2.gz YWLIPWJELDMBLP-UHFFFAOYSA-N 1 0 301.390 3.184 50 0 DGAARO c1ccc2c(c1)nc(Nc1cc[nH+]cc1)nc2NC[C@H]1CCCO1 ZINC000041151631 183178555 /nfs/dbraw/zinc/17/85/55/183178555.db2.gz RAWQEOYTWKXEPW-CQSZACIVSA-N 1 0 321.384 3.359 50 0 DGAARO CC(C)C[NH+]1CCC(NCc2c[nH]nc2-c2cccs2)CC1 ZINC000042207511 183242835 /nfs/dbraw/zinc/24/28/35/183242835.db2.gz ZHGVFCFATXEYET-UHFFFAOYSA-N 1 0 318.490 3.348 50 0 DGAARO Fc1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042773531 183306935 /nfs/dbraw/zinc/30/69/35/183306935.db2.gz IQPTZNQOUOOESK-UHFFFAOYSA-N 1 0 302.187 3.357 50 0 DGAARO Cc1cc(O[C@H]2CC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042774461 183307994 /nfs/dbraw/zinc/30/79/94/183307994.db2.gz WRDGRLQUIQECGU-VIFPVBQESA-N 1 0 304.615 3.460 50 0 DGAARO c1ccc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccn2)nc1 ZINC000042784423 183309135 /nfs/dbraw/zinc/30/91/35/183309135.db2.gz XMBZMHWNENRJHR-WOJBJXKFSA-N 1 0 322.456 3.106 50 0 DGAARO CC(C)(C)C[N@@H+]1CCN(Cc2cccc(Cl)c2)C[C@H]1CCO ZINC000104434134 194007090 /nfs/dbraw/zinc/00/70/90/194007090.db2.gz PGBKYBDFMRGXTA-QGZVFWFLSA-N 1 0 324.896 3.255 50 0 DGAARO CC(C)C[N@@H+]1CCN(Cc2ccc(C(C)C)cc2)C[C@H]1CCO ZINC000104504488 194011425 /nfs/dbraw/zinc/01/14/25/194011425.db2.gz JGRXDXZLZVXNTI-HXUWFJFHSA-N 1 0 318.505 3.335 50 0 DGAARO C[C@@H]1CCC[C@]2(C1)NCC[NH+]=C2NCc1ccccc1Cl ZINC000046153192 183554968 /nfs/dbraw/zinc/55/49/68/183554968.db2.gz NYRNSSHXCMXDEM-CXAGYDPISA-N 1 0 305.853 3.380 50 0 biogenic DGAARO Fc1ccc(CNC2=[NH+]CCNC23CCCCC3)cc1Cl ZINC000046153104 183555116 /nfs/dbraw/zinc/55/51/16/183555116.db2.gz MLKOLFMBUJTONE-UHFFFAOYSA-N 1 0 309.816 3.273 50 0 biogenic DGAARO C[C@H](CNC(=O)c1ccc(F)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000106078724 194183586 /nfs/dbraw/zinc/18/35/86/194183586.db2.gz VBTKLWXJTQZEFS-NWDGAFQWSA-N 1 0 312.816 3.329 50 0 DGAARO CC(C)Sc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000056057523 184003882 /nfs/dbraw/zinc/00/38/82/184003882.db2.gz JXEJWSQMJQRECA-UHFFFAOYSA-N 1 0 306.475 3.353 50 0 DGAARO CC(C)c1cccc(O[C@@H](C)C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000056057487 184004119 /nfs/dbraw/zinc/00/41/19/184004119.db2.gz SPWIDOHVTCHHCG-HNNXBMFYSA-N 1 0 318.461 3.130 50 0 DGAARO CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000057030934 184025363 /nfs/dbraw/zinc/02/53/63/184025363.db2.gz UFQXWWMVZFBYEI-OAHLLOKOSA-N 1 0 313.445 3.265 50 0 DGAARO c1cc2c(ncnc2N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000057366634 184036560 /nfs/dbraw/zinc/03/65/60/184036560.db2.gz FTAPOTCUJVOFNL-UHFFFAOYSA-N 1 0 310.426 3.014 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCc2ccccc2)C1 ZINC000058172955 184084198 /nfs/dbraw/zinc/08/41/98/184084198.db2.gz BWFNPYRZAOGDNH-CALCHBBNSA-N 1 0 316.489 3.492 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCc2ccccc2)C1 ZINC000058172960 184084480 /nfs/dbraw/zinc/08/44/80/184084480.db2.gz BWFNPYRZAOGDNH-IAGOWNOFSA-N 1 0 316.489 3.492 50 0 DGAARO C[C@H](NC[C@@H](c1cccs1)[NH+](C)C)c1nc(C(C)(C)C)no1 ZINC000058177850 184085048 /nfs/dbraw/zinc/08/50/48/184085048.db2.gz ZIHBTYHLFJUPRP-RYUDHWBXSA-N 1 0 322.478 3.382 50 0 DGAARO O=C(Cc1cccc(F)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058208613 184088384 /nfs/dbraw/zinc/08/83/84/184088384.db2.gz KWWVOSHNWJRQIF-UHFFFAOYSA-N 1 0 318.436 3.139 50 0 DGAARO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)cc(=O)oc12 ZINC000058355600 184107552 /nfs/dbraw/zinc/10/75/52/184107552.db2.gz WKVHZWCVUPTXED-INIZCTEOSA-N 1 0 324.380 3.472 50 0 DGAARO CC/C=C(/C)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058264877 184095942 /nfs/dbraw/zinc/09/59/42/184095942.db2.gz MCFHLOPYXGIHGQ-NSIKDUERSA-N 1 0 304.409 3.263 50 0 DGAARO Cn1nccc1C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000058305279 184103337 /nfs/dbraw/zinc/10/33/37/184103337.db2.gz VWXFVCBYVGQKCI-UHFFFAOYSA-N 1 0 322.412 3.455 50 0 DGAARO COc1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000058313795 184104287 /nfs/dbraw/zinc/10/42/87/184104287.db2.gz PPZFGQFWVMCFTI-RDTXWAMCSA-N 1 0 319.449 3.327 50 0 DGAARO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCc1ccccc1 ZINC000058315542 184104648 /nfs/dbraw/zinc/10/46/48/184104648.db2.gz NVDRVFHHVYNKQB-AWEZNQCLSA-N 1 0 307.397 3.159 50 0 DGAARO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N(C)C)c1ccccc1OC ZINC000058405573 184113486 /nfs/dbraw/zinc/11/34/86/184113486.db2.gz RBHKIYZUSVHKJZ-MRXNPFEDSA-N 1 0 316.449 3.044 50 0 DGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 ZINC000058406266 184113575 /nfs/dbraw/zinc/11/35/75/184113575.db2.gz ZHASJDNSDCBEQY-LBPRGKRZSA-N 1 0 312.816 3.329 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000060321941 184145946 /nfs/dbraw/zinc/14/59/46/184145946.db2.gz DKPCJHOCLMZEBJ-SFHVURJKSA-N 1 0 319.408 3.268 50 0 DGAARO CC(C)C[NH+](CC(C)C)C[C@H](O)COCc1ccccc1F ZINC000060477979 184150391 /nfs/dbraw/zinc/15/03/91/184150391.db2.gz HLKQDUOFXZHTMX-KRWDZBQOSA-N 1 0 311.441 3.317 50 0 DGAARO CCOc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000060845202 184156433 /nfs/dbraw/zinc/15/64/33/184156433.db2.gz PMDIATPGLZAIHH-IYBDPMFKSA-N 1 0 318.461 3.183 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000269104234 207243806 /nfs/dbraw/zinc/24/38/06/207243806.db2.gz HVHJQVMTDGXPHG-ZDUSSCGKSA-N 1 0 308.853 3.076 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(F)c(Cl)c2)N1 ZINC000064864368 184305209 /nfs/dbraw/zinc/30/52/09/184305209.db2.gz ZSWWXRREZQUKTH-CYBMUJFWSA-N 1 0 315.739 3.326 50 0 DGAARO Cc1cc2oc(=O)cc(C[NH2+]CCc3ccccn3)c2cc1C ZINC000065387018 184334117 /nfs/dbraw/zinc/33/41/17/184334117.db2.gz MTJQVIAUIHPTSJ-UHFFFAOYSA-N 1 0 308.381 3.137 50 0 DGAARO Cn1cccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286841 184322077 /nfs/dbraw/zinc/32/20/77/184322077.db2.gz DGIVACMDTRNRRK-MRXNPFEDSA-N 1 0 321.428 3.190 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000065365151 184328734 /nfs/dbraw/zinc/32/87/34/184328734.db2.gz WZDTVMIUGCLUQU-UHFFFAOYSA-N 1 0 324.424 3.341 50 0 DGAARO C[C@@H](c1cccc(-c2nc(C(N)=O)cs2)c1)[NH+]1CCCC1 ZINC000065373512 184330484 /nfs/dbraw/zinc/33/04/84/184330484.db2.gz JPJKJFXRFOXPGA-NSHDSACASA-N 1 0 301.415 3.066 50 0 DGAARO Cc1nc(-c2ccsc2)sc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000065449418 184346337 /nfs/dbraw/zinc/34/63/37/184346337.db2.gz IIEUZWBVDUFJOS-UHFFFAOYSA-N 1 0 321.471 3.004 50 0 DGAARO CCn1nc(C)c(C[NH2+][C@H](C)Cc2cccc(OC)c2)c1C ZINC000065453560 184346556 /nfs/dbraw/zinc/34/65/56/184346556.db2.gz BFHLLGVAAFTPJR-CYBMUJFWSA-N 1 0 301.434 3.249 50 0 DGAARO C[C@H](CCc1ccccc1)[NH2+]CCn1ncc2ccccc2c1=O ZINC000065461771 184348943 /nfs/dbraw/zinc/34/89/43/184348943.db2.gz PURZUIHRYDRSGY-MRXNPFEDSA-N 1 0 321.424 3.007 50 0 DGAARO CCc1ccc(NC(=O)CC[NH2+][C@H]2COC3(CCCC3)C2)cc1 ZINC000065396884 184335903 /nfs/dbraw/zinc/33/59/03/184335903.db2.gz LPYLSSKMZCACMB-QGZVFWFLSA-N 1 0 316.445 3.269 50 0 DGAARO c1cn(C[C@@H]([NH2+]C2Cc3ccccc3C2)c2ccccc2)cn1 ZINC000065397804 184336199 /nfs/dbraw/zinc/33/61/99/184336199.db2.gz RRHHJSQQAQCHBC-HXUWFJFHSA-N 1 0 303.409 3.381 50 0 DGAARO NC(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000065522277 184359247 /nfs/dbraw/zinc/35/92/47/184359247.db2.gz IAAACPXHSHKFFI-UHFFFAOYSA-N 1 0 312.388 3.484 50 0 DGAARO CCC[NH+]1CCC(CC(=O)N[C@@H](C)c2ccc(O)c(F)c2)CC1 ZINC000065526154 184359599 /nfs/dbraw/zinc/35/95/99/184359599.db2.gz KZHDWDVHNHAUQS-ZDUSSCGKSA-N 1 0 322.424 3.221 50 0 DGAARO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1C1Cc2ccccc2C1 ZINC000065527201 184360526 /nfs/dbraw/zinc/36/05/26/184360526.db2.gz QBHJXHRMKCIXEM-SFHVURJKSA-N 1 0 312.457 3.021 50 0 DGAARO Cc1ccc(NC(=O)C[NH2+][C@H](C)Cc2ccsc2)cc1F ZINC000065533460 184361905 /nfs/dbraw/zinc/36/19/05/184361905.db2.gz BLDMVRGUZRIRGI-GFCCVEGCSA-N 1 0 306.406 3.355 50 0 DGAARO Clc1cccc(OCCCN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000065564146 184366591 /nfs/dbraw/zinc/36/65/91/184366591.db2.gz HEFCOZOWYRHAAX-MRXNPFEDSA-N 1 0 308.853 3.279 50 0 DGAARO CC(=O)Nc1ccc(C[N@@H+]2CC[C@](O)(c3ccccc3C)C2)cc1 ZINC000065508771 184357413 /nfs/dbraw/zinc/35/74/13/184357413.db2.gz RPWVEWZVCUZCOZ-HXUWFJFHSA-N 1 0 324.424 3.047 50 0 DGAARO [NH3+][C@H]1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000155042877 197017001 /nfs/dbraw/zinc/01/70/01/197017001.db2.gz WTKRAZHLPCUVSS-GJZGRUSLSA-N 1 0 300.427 3.409 50 0 DGAARO CC(C)Cc1noc(CN2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000155084419 197020834 /nfs/dbraw/zinc/02/08/34/197020834.db2.gz GIWKZFMQCJPAKN-INIZCTEOSA-N 1 0 314.433 3.345 50 0 DGAARO O[C@@H](C[NH2+]C1CCCCC1)COC12CC3CC(CC(C3)C1)C2 ZINC000010434712 285304671 /nfs/dbraw/zinc/30/46/71/285304671.db2.gz FGPNQVKYXMIMPC-ZJIILYSQSA-N 1 0 307.478 3.255 50 0 DGAARO CN(C)C(=O)c1sc2ncccc2c1C1CCC(C[NH3+])CC1 ZINC000072343475 256545341 /nfs/dbraw/zinc/54/53/41/256545341.db2.gz WLCWLTWVNJARPN-UHFFFAOYSA-N 1 0 317.458 3.231 50 0 DGAARO COc1cc(C)c(C[NH2+]CCc2ccc3c(c2)OCO3)cc1C ZINC000005538857 257233952 /nfs/dbraw/zinc/23/39/52/257233952.db2.gz VVFZJFVSQOMSSM-UHFFFAOYSA-N 1 0 313.397 3.373 50 0 DGAARO CCCc1ccc(C[N@@H+]2CCCN(Cc3cccnc3)CC2)o1 ZINC000216468378 257273636 /nfs/dbraw/zinc/27/36/36/257273636.db2.gz MGFGUFOYJJOJMQ-UHFFFAOYSA-N 1 0 313.445 3.335 50 0 DGAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000317314250 257236919 /nfs/dbraw/zinc/23/69/19/257236919.db2.gz YSBFECSSSMMMMD-DYVFJYSZSA-N 1 0 302.418 3.397 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000237486703 257238531 /nfs/dbraw/zinc/23/85/31/257238531.db2.gz RZRRUXZCAVOBOP-SFYZADRCSA-N 1 0 305.180 3.084 50 0 DGAARO OCC1(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000521396918 257240000 /nfs/dbraw/zinc/24/00/00/257240000.db2.gz GKZZKQUMBXYFKK-QZTJIDSGSA-N 1 0 303.446 3.092 50 0 DGAARO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1ccc(Cl)cn1 ZINC000239882133 257259793 /nfs/dbraw/zinc/25/97/93/257259793.db2.gz DAMMBFGWLWZLTM-BPLDGKMQSA-N 1 0 309.841 3.036 50 0 DGAARO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCCC1 ZINC000010384090 285357924 /nfs/dbraw/zinc/35/79/24/285357924.db2.gz GYTYWKBSNBDBML-NRFBVMONSA-N 1 0 321.505 3.456 50 0 DGAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000069581955 184816546 /nfs/dbraw/zinc/81/65/46/184816546.db2.gz YZKQPKBCVOXTTC-GOSISDBHSA-N 1 0 306.409 3.065 50 0 DGAARO Cc1ccsc1C[NH2+]C[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000069589106 184818707 /nfs/dbraw/zinc/81/87/07/184818707.db2.gz GWTLQXVPLKCCEP-ZDUSSCGKSA-N 1 0 304.463 3.124 50 0 DGAARO C[C@@H](CCC(=O)N(Cc1cccc(O)c1)C1CC1)[NH+]1CCCC1 ZINC000426489789 533513916 /nfs/dbraw/zinc/51/39/16/533513916.db2.gz TXFMMSPVEGLAHG-HNNXBMFYSA-N 1 0 316.445 3.148 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)c1cccs1 ZINC000090955317 545833333 /nfs/dbraw/zinc/83/33/33/545833333.db2.gz SFZKGXDZSSASOM-GXTWGEPZSA-N 1 0 304.415 3.162 50 0 DGAARO CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000584897089 400122935 /nfs/dbraw/zinc/12/29/35/400122935.db2.gz VZQGDKMMOYXKQO-HXUWFJFHSA-N 1 0 320.436 3.468 50 0 DGAARO CCOCC1CC[NH+](Cc2c(C)cc(C)c(CO)c2C)CC1 ZINC000584895390 400123177 /nfs/dbraw/zinc/12/31/77/400123177.db2.gz UGJLFZHRNQPAOJ-UHFFFAOYSA-N 1 0 305.462 3.353 50 0 DGAARO c1cc(Nc2ccc3c(c2)OCO3)c2cc3c(cc2[nH+]1)OCO3 ZINC000019865803 400188340 /nfs/dbraw/zinc/18/83/40/400188340.db2.gz MBKVHBPJOHYRPE-UHFFFAOYSA-N 1 0 308.293 3.436 50 0 DGAARO CCOC(=O)C1CC[NH+]([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000023282886 400209140 /nfs/dbraw/zinc/20/91/40/400209140.db2.gz KJIHGQBQPHGVKL-HNNXBMFYSA-N 1 0 319.445 3.291 50 0 DGAARO CCSc1ccccc1N1CC[NH+](CCCCCCO)CC1 ZINC000096026562 400273979 /nfs/dbraw/zinc/27/39/79/400273979.db2.gz LQVFQKFARCDWKG-UHFFFAOYSA-N 1 0 322.518 3.473 50 0 DGAARO CCn1nccc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000097235576 400284602 /nfs/dbraw/zinc/28/46/02/400284602.db2.gz AZFSXSDOELQUIY-UHFFFAOYSA-N 1 0 317.408 3.223 50 0 DGAARO Cn1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000097237663 400284752 /nfs/dbraw/zinc/28/47/52/400284752.db2.gz LLUJFKWTYTXZBL-UHFFFAOYSA-N 1 0 304.825 3.150 50 0 DGAARO C[C@@H]([NH2+]CCn1c(=O)oc2cccnc21)c1cc2ccccc2o1 ZINC000097374209 400285564 /nfs/dbraw/zinc/28/55/64/400285564.db2.gz PTUWYNLSVOCCJS-GFCCVEGCSA-N 1 0 323.352 3.087 50 0 DGAARO CNC(=O)Cc1nc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)cs1 ZINC000072309158 400381018 /nfs/dbraw/zinc/38/10/18/400381018.db2.gz VWBDLMMUWLIOSM-KGLIPLIRSA-N 1 0 323.506 3.126 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)COC1CCCC1)c1ccc(Cl)cc1 ZINC000072309362 400381136 /nfs/dbraw/zinc/38/11/36/400381136.db2.gz LCEPCBAFFFNUSJ-MRXNPFEDSA-N 1 0 324.852 3.018 50 0 DGAARO Cc1cnn(CC[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000069899932 400348713 /nfs/dbraw/zinc/34/87/13/400348713.db2.gz SGYCQZZUYLGFKD-UHFFFAOYSA-N 1 0 321.384 3.118 50 0 DGAARO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069967046 400349861 /nfs/dbraw/zinc/34/98/61/400349861.db2.gz KQXTZNDADGXIOW-GDBMZVCRSA-N 1 0 323.400 3.159 50 0 DGAARO Cc1ccc(Cl)cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000071846727 400370945 /nfs/dbraw/zinc/37/09/45/400370945.db2.gz DYWJIJYKWGLCBU-UHFFFAOYSA-N 1 0 321.812 3.051 50 0 DGAARO C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1csc2ccccc21 ZINC000072268198 400375821 /nfs/dbraw/zinc/37/58/21/400375821.db2.gz YUXVSEWNVAUIEZ-LBPRGKRZSA-N 1 0 317.458 3.356 50 0 DGAARO CC(C)(C)[S@@](=O)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000072286934 400377885 /nfs/dbraw/zinc/37/78/85/400377885.db2.gz XASFSLMPZSFPHD-HXUWFJFHSA-N 1 0 307.381 3.342 50 0 DGAARO C[C@@H](NC(=O)Nc1cccc2cccnc21)C1CC[NH+](C)CC1 ZINC000072285583 400377923 /nfs/dbraw/zinc/37/79/23/400377923.db2.gz KYVVIVIEOFNDJR-CYBMUJFWSA-N 1 0 312.417 3.087 50 0 DGAARO CCC(CC)[N@H+](CCO)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000075104888 400559122 /nfs/dbraw/zinc/55/91/22/400559122.db2.gz UTLQVTFJMJZINL-UHFFFAOYSA-N 1 0 315.461 3.472 50 0 DGAARO COc1ccc(C[NH2+]Cc2cccc(N(C)C)c2)c(OC)c1 ZINC000075584075 400596773 /nfs/dbraw/zinc/59/67/73/400596773.db2.gz ZHZPWDRCRJIZHW-UHFFFAOYSA-N 1 0 300.402 3.060 50 0 DGAARO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000168220958 400756860 /nfs/dbraw/zinc/75/68/60/400756860.db2.gz ZNIQNNRUJOYQLZ-STQMWFEESA-N 1 0 307.438 3.123 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000169678629 400758981 /nfs/dbraw/zinc/75/89/81/400758981.db2.gz UEEXKEBBAIXLBJ-DOTOQJQBSA-N 1 0 323.477 3.472 50 0 DGAARO CCOC(=O)[C@@H]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000170607040 400766094 /nfs/dbraw/zinc/76/60/94/400766094.db2.gz IBVPUHKBDHVHMG-BZUAXINKSA-N 1 0 319.449 3.306 50 0 DGAARO CC(C)[C@H](C(=O)O[C@@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000170609451 400766549 /nfs/dbraw/zinc/76/65/49/400766549.db2.gz ZJWOFMAENSUGMT-SMDDNHRTSA-N 1 0 306.431 3.487 50 0 DGAARO C[C@H]1CC[N@H+](CCSc2nnc(Cc3cccs3)o2)C1 ZINC000079058382 400843265 /nfs/dbraw/zinc/84/32/65/400843265.db2.gz ZQWSWDSGZCUIPY-NSHDSACASA-N 1 0 309.460 3.156 50 0 DGAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000211272071 400944034 /nfs/dbraw/zinc/94/40/34/400944034.db2.gz BHZWPJKSKUHWQP-ZSDNHXBWSA-N 1 0 320.458 3.483 50 0 DGAARO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(n3cncn3)CC2)C1 ZINC000189826462 400909369 /nfs/dbraw/zinc/90/93/69/400909369.db2.gz RLGYUUYQIYMJSI-OALUTQOASA-N 1 0 310.445 3.425 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(OCC(F)F)c1)c1cccc(O)c1 ZINC000194942393 400922607 /nfs/dbraw/zinc/92/26/07/400922607.db2.gz WPWUMDURRYZGAM-NSHDSACASA-N 1 0 308.328 3.282 50 0 DGAARO CC[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000195549895 400923942 /nfs/dbraw/zinc/92/39/42/400923942.db2.gz IXVSKCSMQYRPDP-WFASDCNBSA-N 1 0 315.866 3.000 50 0 DGAARO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)C1 ZINC000195541110 400924183 /nfs/dbraw/zinc/92/41/83/400924183.db2.gz ZMYPPYZYMBRJPI-SQWLQELKSA-N 1 0 306.475 3.302 50 0 DGAARO CCCN(C(=O)/C(C)=C/c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000195543744 400924572 /nfs/dbraw/zinc/92/45/72/400924572.db2.gz XPRQVYLGGLXCAJ-BUHFOSPRSA-N 1 0 304.409 3.220 50 0 DGAARO C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000195556823 400925341 /nfs/dbraw/zinc/92/53/41/400925341.db2.gz ZJRLWPBKBXIZCK-NVXWUHKLSA-N 1 0 324.424 3.033 50 0 DGAARO C[C@H]1CN(Cc2cnc(-c3ccccn3)s2)C(C)(C)CO1 ZINC000195563314 400925798 /nfs/dbraw/zinc/92/57/98/400925798.db2.gz KVUDYPYOAOQZKO-LBPRGKRZSA-N 1 0 303.431 3.204 50 0 DGAARO COC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2SC)CC1 ZINC000195558479 400925954 /nfs/dbraw/zinc/92/59/54/400925954.db2.gz OCJFIYVCEJRYOV-CYBMUJFWSA-N 1 0 322.474 3.160 50 0 DGAARO Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@H](C)[NH3+])cc2C)c1 ZINC000237403093 400989760 /nfs/dbraw/zinc/98/97/60/400989760.db2.gz GLFOFXKMALJTCZ-HNNXBMFYSA-N 1 0 312.413 3.368 50 0 in-vitro DGAARO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000245339096 401005030 /nfs/dbraw/zinc/00/50/30/401005030.db2.gz QLFNCIFQMVJQLW-IIBYNOLFSA-N 1 0 321.468 3.049 50 0 DGAARO C[C@H](c1ccccc1F)N(C(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000225487647 400957984 /nfs/dbraw/zinc/95/79/84/400957984.db2.gz ZVFKEOUWIZALOL-CYBMUJFWSA-N 1 0 304.409 3.267 50 0 DGAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]C/C=C\c2ccccc2)cn1 ZINC000229909776 400965781 /nfs/dbraw/zinc/96/57/81/400965781.db2.gz MWFJJWZDIPFAMI-JPBKIQTRSA-N 1 0 311.429 3.284 50 0 DGAARO Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3ccnc3)C2)c1 ZINC000229548299 400966446 /nfs/dbraw/zinc/96/64/46/400966446.db2.gz HQAYKZVJKOIEJN-SQNIBIBYSA-N 1 0 309.413 3.159 50 0 DGAARO C[N@@H+](Cc1ccco1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247961680 401063854 /nfs/dbraw/zinc/06/38/54/401063854.db2.gz FOTCGNFPIWFKRZ-APWZRJJASA-N 1 0 315.413 3.167 50 0 DGAARO Cc1cc([C@H](C)C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC000248104850 401065271 /nfs/dbraw/zinc/06/52/71/401065271.db2.gz FRBDTGHNDFXITC-XKQJLSEDSA-N 1 0 304.434 3.085 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1F ZINC000248142340 401066460 /nfs/dbraw/zinc/06/64/60/401066460.db2.gz QQNFCDSWAJGMAD-ATLSCFEFSA-N 1 0 316.420 3.014 50 0 DGAARO Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)s1 ZINC000248141312 401066810 /nfs/dbraw/zinc/06/68/10/401066810.db2.gz QINNJGQWWHKCJP-QKPAOTATSA-N 1 0 318.486 3.245 50 0 DGAARO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000247171299 401047003 /nfs/dbraw/zinc/04/70/03/401047003.db2.gz SPAINJOHIWKWDZ-KJOVKWNASA-N 1 0 309.450 3.482 50 0 DGAARO CCc1[nH+]c2ccccc2c(NC[C@]2(CCO)CCOC2)c1C ZINC000252482139 401094666 /nfs/dbraw/zinc/09/46/66/401094666.db2.gz CZOMKPSIIXBWGB-IBGZPJMESA-N 1 0 314.429 3.307 50 0 DGAARO CC(C)(C)[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000252485837 401094979 /nfs/dbraw/zinc/09/49/79/401094979.db2.gz AZULOVQUFNNFDQ-HOCLYGCPSA-N 1 0 319.449 3.247 50 0 DGAARO CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000253369458 401098391 /nfs/dbraw/zinc/09/83/91/401098391.db2.gz CUSBMZJTBYLZKV-XYJFISCASA-N 1 0 322.493 3.105 50 0 DGAARO c1ncc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000253369485 401098592 /nfs/dbraw/zinc/09/85/92/401098592.db2.gz DBWMNLQTOBNVCP-CGTJXYLNSA-N 1 0 313.470 3.143 50 0 DGAARO O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000063704757 401209636 /nfs/dbraw/zinc/20/96/36/401209636.db2.gz JDRVZCANCBCXBZ-OKZBNKHCSA-N 1 0 316.420 3.016 50 0 DGAARO Cc1nc(CN(Cc2ccc(F)cc2)[C@H]2CC[N@@H+](C)C2)oc1C ZINC000089558282 401227219 /nfs/dbraw/zinc/22/72/19/401227219.db2.gz BUALLUHICDEBBN-KRWDZBQOSA-N 1 0 317.408 3.137 50 0 DGAARO Cc1ccc([C@@]2(C)N(O)[C@@H](C)C(c3cccs3)[N+]2=O)cc1 ZINC000169690496 292238382 /nfs/dbraw/zinc/23/83/82/292238382.db2.gz HALJAKZAVQRPQP-LRDDRELGSA-N 1 0 302.399 3.322 50 0 DGAARO C[C@@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(F)cc2)N1O ZINC000001205210 287191372 /nfs/dbraw/zinc/19/13/72/287191372.db2.gz UDZHZPJBFYXBMS-PXAZEXFGSA-N 1 0 300.333 3.091 50 0 DGAARO CC(C)C[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129339657 196040654 /nfs/dbraw/zinc/04/06/54/196040654.db2.gz UBCBQQPXDJUDFE-AEFFLSMTSA-N 1 0 317.477 3.367 50 0 DGAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000136475303 432156252 /nfs/dbraw/zinc/15/62/52/432156252.db2.gz ULGFMPIXDGJACU-HOCLYGCPSA-N 1 0 324.424 3.429 50 0 DGAARO Cc1cc(N[C@@H](C)[C@H]2CCOC2)ccc1OCC[NH+]1CCCC1 ZINC000182236986 432170767 /nfs/dbraw/zinc/17/07/67/432170767.db2.gz CPEQGSBVPUIWRZ-IRXDYDNUSA-N 1 0 318.461 3.307 50 0 DGAARO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCN(CC2CCOCC2)CC1 ZINC000191070422 432217045 /nfs/dbraw/zinc/21/70/45/432217045.db2.gz AFOGZAPMVILIHU-IEBWSBKVSA-N 1 0 306.494 3.023 50 0 DGAARO C[NH2+][C@@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 ZINC000151023512 196618378 /nfs/dbraw/zinc/61/83/78/196618378.db2.gz JANSFBPMQPDXSQ-GFCCVEGCSA-N 1 0 315.244 3.136 50 0 DGAARO CC[N@H+](Cc1ccc(NC(C)=O)cc1)[C@H]1CCOC(C)(C)C1 ZINC000291002379 222062647 /nfs/dbraw/zinc/06/26/47/222062647.db2.gz AZUCBIJACRKVHY-KRWDZBQOSA-N 1 0 304.434 3.425 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000299739524 229372177 /nfs/dbraw/zinc/37/21/77/229372177.db2.gz PQVKCMQAQJWXLT-RUAUBTSSSA-N 1 0 306.837 3.029 50 0 DGAARO COc1ccccc1C[C@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000095422979 262500815 /nfs/dbraw/zinc/50/08/15/262500815.db2.gz CYQOCFTVMMNHBL-GUYCJALGSA-N 1 0 305.443 3.185 50 0 DGAARO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2sccc2C)c1 ZINC000095422669 262545917 /nfs/dbraw/zinc/54/59/17/262545917.db2.gz JZOIYJWOTDFDCW-MLGOLLRUSA-N 1 0 321.442 3.458 50 0 DGAARO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccs1 ZINC000095422557 262545966 /nfs/dbraw/zinc/54/59/66/262545966.db2.gz SWWTVZSJSRQELA-GXTWGEPZSA-N 1 0 300.427 3.484 50 0 DGAARO CC(C)n1ccc2ccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc21 ZINC000095476625 273575269 /nfs/dbraw/zinc/57/52/69/273575269.db2.gz OSDKPUFISMGXGJ-KRWDZBQOSA-N 1 0 311.429 3.046 50 0 DGAARO COc1cccc2ccc(C[N@H+](C)CC3(CO)CCCC3)nc21 ZINC000215785128 274155170 /nfs/dbraw/zinc/15/51/70/274155170.db2.gz RMDOVGWVFSWBKB-UHFFFAOYSA-N 1 0 314.429 3.228 50 0 DGAARO CS[C@H](C)CC[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072128872 274183966 /nfs/dbraw/zinc/18/39/66/274183966.db2.gz OFQHHDQLOWVYCE-CQSZACIVSA-N 1 0 318.486 3.138 50 0 DGAARO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1cncc(F)c1 ZINC000090115367 274531030 /nfs/dbraw/zinc/53/10/30/274531030.db2.gz SNIXEVLTEKCKJS-IGCXYCKISA-N 1 0 313.376 3.065 50 0 DGAARO CC[C@H](C)c1ccc([C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C(C)C)cc1 ZINC000057315528 287787684 /nfs/dbraw/zinc/78/76/84/287787684.db2.gz YVZLENUKTCTYMI-HEHGZKQESA-N 1 0 319.449 3.070 50 0 DGAARO O=C(c1cccc(C(F)(F)F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000058379449 275013891 /nfs/dbraw/zinc/01/38/91/275013891.db2.gz SZXFZKRJUPUCMS-UHFFFAOYSA-N 1 0 312.335 3.016 50 0 DGAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000236683206 275530311 /nfs/dbraw/zinc/53/03/11/275530311.db2.gz TYTDCLCEMVMETG-UKRRQHHQSA-N 1 0 306.475 3.001 50 0 DGAARO CC[N@H+](CN1C(=O)NC2(CCC(C)CC2)C1=O)C1CCCCC1 ZINC000006496849 276134915 /nfs/dbraw/zinc/13/49/15/276134915.db2.gz LXMXEYJSINGTPU-UHFFFAOYSA-N 1 0 321.465 3.099 50 0 DGAARO CCC(C)(C)NC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000060168221 276206200 /nfs/dbraw/zinc/20/62/00/276206200.db2.gz LACHYSGQDXYGJG-KRWDZBQOSA-N 1 0 300.446 3.443 50 0 DGAARO CCCCNC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000004016886 276236241 /nfs/dbraw/zinc/23/62/41/276236241.db2.gz VFXQBSPHOLZSOG-WBVHZDCISA-N 1 0 301.434 3.112 50 0 biogenic DGAARO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)CCC2)c1ccsc1 ZINC000025812843 276778354 /nfs/dbraw/zinc/77/83/54/276778354.db2.gz RLWXSBFAWQPISR-ZDUSSCGKSA-N 1 0 320.483 3.331 50 0 DGAARO C[NH+]1CCC(N(CCc2ccccc2)Cc2cscn2)CC1 ZINC000072168601 277026897 /nfs/dbraw/zinc/02/68/97/277026897.db2.gz RGEJKTKINCLTCM-UHFFFAOYSA-N 1 0 315.486 3.282 50 0 DGAARO CC(C)(C)[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000195530201 277251467 /nfs/dbraw/zinc/25/14/67/277251467.db2.gz VOHWKXDHOGYRFR-JKSUJKDBSA-N 1 0 318.436 3.419 50 0 DGAARO CC(C)C(=O)N1CC[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000096479356 277331838 /nfs/dbraw/zinc/33/18/38/277331838.db2.gz XKSOWUJRVZZBFR-HIFRSBDPSA-N 1 0 304.434 3.140 50 0 DGAARO COC(=O)[C@H]1CCCCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000095941458 277387997 /nfs/dbraw/zinc/38/79/97/277387997.db2.gz RGFHILVGWUHJLI-UONOGXRCSA-N 1 0 308.447 3.232 50 0 DGAARO COc1cc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)ccc1O ZINC000055211075 277838358 /nfs/dbraw/zinc/83/83/58/277838358.db2.gz XUBFVVAGMSDJMD-IBGZPJMESA-N 1 0 306.365 3.384 50 0 DGAARO CSCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011880787 278128524 /nfs/dbraw/zinc/12/85/24/278128524.db2.gz SZTJFFHMSMMSAY-INIZCTEOSA-N 1 0 324.465 3.050 50 0 DGAARO C[C@@H](CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)[S@@](C)=O ZINC000108372309 278233737 /nfs/dbraw/zinc/23/37/37/278233737.db2.gz RBUMWEATONXZAT-KUUHDYPXSA-N 1 0 307.459 3.180 50 0 DGAARO CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C31CCCCC1)C2=O ZINC000019323181 278706427 /nfs/dbraw/zinc/70/64/27/278706427.db2.gz JACKOKCYNNWQNU-UHFFFAOYSA-N 1 0 304.478 3.146 50 0 biogenic DGAARO O=C(CN1c2ccccc2N2CCN=C12)c1ccc(Cl)cc1 ZINC000000017113 431112139 /nfs/dbraw/zinc/11/21/39/431112139.db2.gz UNWOUPDGMHAFDA-UHFFFAOYSA-N 1 0 311.772 3.219 50 0 DGAARO Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000108111133 431123107 /nfs/dbraw/zinc/12/31/07/431123107.db2.gz SQFQXDXUSPEOHV-IUODEOHRSA-N 1 0 309.841 3.452 50 0 DGAARO CCOC(=O)C1=C(C)N=C(SC)N(C)[C@@H]1c1ccccc1 ZINC000000083575 431123246 /nfs/dbraw/zinc/12/32/46/431123246.db2.gz KSKFCUCXECAMKZ-CQSZACIVSA-N 1 0 304.415 3.229 50 0 DGAARO C[C@H](C(=O)N1CCC[C@@H]1c1ccncc1)[C@H]([NH3+])c1ccccc1 ZINC000095412760 279195327 /nfs/dbraw/zinc/19/53/27/279195327.db2.gz PBONQIXZHVMNAD-QGTPRVQTSA-N 1 0 309.413 3.081 50 0 DGAARO COc1cc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1 ZINC000000176461 431139843 /nfs/dbraw/zinc/13/98/43/431139843.db2.gz XQYXHKISFRKDRD-ZIAGYGMSSA-N 1 0 320.433 3.010 50 0 DGAARO CCc1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000317821 431164546 /nfs/dbraw/zinc/16/45/46/431164546.db2.gz GHASBGIUHPPGDO-UHFFFAOYSA-N 1 0 318.461 3.053 50 0 DGAARO CCn1c(C)[n+](CCOC(C)=O)c2cc(Cl)c(Cl)cc21 ZINC000000363017 431170861 /nfs/dbraw/zinc/17/08/61/431170861.db2.gz JCMIBBCJGQKXJN-UHFFFAOYSA-N 1 0 316.208 3.127 50 0 DGAARO Fc1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c2ncccc12 ZINC000069310242 431175565 /nfs/dbraw/zinc/17/55/65/431175565.db2.gz GCTVYZCEYQYNQH-INIZCTEOSA-N 1 0 316.376 3.101 50 0 DGAARO C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@H](C)n1cccn1 ZINC000069372310 431180252 /nfs/dbraw/zinc/18/02/52/431180252.db2.gz ONYYUFADYAAHSA-RYUDHWBXSA-N 1 0 302.403 3.339 50 0 DGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccn2ccnc12 ZINC000069437379 431186722 /nfs/dbraw/zinc/18/67/22/431186722.db2.gz ZJFHCJZMXTZFQO-UHFFFAOYSA-N 1 0 320.396 3.182 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000069512737 431192916 /nfs/dbraw/zinc/19/29/16/431192916.db2.gz BAKLJXSKFJDHHC-HOTGVXAUSA-N 1 0 309.417 3.117 50 0 DGAARO CNC(=O)c1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000069515140 431195406 /nfs/dbraw/zinc/19/54/06/431195406.db2.gz ILXJCQJQXPCAPA-UHFFFAOYSA-N 1 0 300.427 3.272 50 0 DGAARO Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cc1 ZINC000069517938 431195971 /nfs/dbraw/zinc/19/59/71/431195971.db2.gz KKRNCNMPIUJJMM-QZTJIDSGSA-N 1 0 300.446 3.013 50 0 DGAARO Cc1ccc(CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cc1 ZINC000069517939 431196074 /nfs/dbraw/zinc/19/60/74/431196074.db2.gz KKRNCNMPIUJJMM-MSOLQXFVSA-N 1 0 300.446 3.013 50 0 DGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccccc1OC ZINC000000526535 431196384 /nfs/dbraw/zinc/19/63/84/431196384.db2.gz UWXBXUJBRJFVHL-SFHVURJKSA-N 1 0 308.381 3.420 50 0 biogenic DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000000214548 431148462 /nfs/dbraw/zinc/14/84/62/431148462.db2.gz CCQWOIXWKAQARO-RXNMKEHESA-N 1 0 300.446 3.280 50 0 DGAARO Fc1ccccc1C[NH+]1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000069010715 431152831 /nfs/dbraw/zinc/15/28/31/431152831.db2.gz ZXGQYXLTYVVHRH-UHFFFAOYSA-N 1 0 300.381 3.201 50 0 DGAARO CC(C)[N@H+](C)C1CCN(C(=S)Nc2ccccc2F)CC1 ZINC000000261000 431155824 /nfs/dbraw/zinc/15/58/24/431155824.db2.gz IDKGULYNWCINBS-UHFFFAOYSA-N 1 0 309.454 3.327 50 0 DGAARO O[C@@H](C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000069621454 431204759 /nfs/dbraw/zinc/20/47/59/431204759.db2.gz UXIAUVBWCVMDTB-PBHICJAKSA-N 1 0 303.352 3.488 50 0 DGAARO Cc1ccc2[nH]c(C(=O)N3CCC[C@H]3[C@@H]3CCC[N@H+]3C)cc2c1 ZINC000069619091 431207142 /nfs/dbraw/zinc/20/71/42/431207142.db2.gz QXGYKCFPGHBXPX-ROUUACIJSA-N 1 0 311.429 3.175 50 0 DGAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1c(C)noc1C ZINC000069699365 431212994 /nfs/dbraw/zinc/21/29/94/431212994.db2.gz GBINCRTVKCZQMJ-CQSZACIVSA-N 1 0 308.426 3.068 50 0 DGAARO Cc1c2ccccc2oc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000001053521 431214037 /nfs/dbraw/zinc/21/40/37/431214037.db2.gz ZDNBJOPPYUAJRS-ZDUSSCGKSA-N 1 0 300.402 3.345 50 0 DGAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000069739747 431216518 /nfs/dbraw/zinc/21/65/18/431216518.db2.gz VVSSICUYBXFLLN-OALUTQOASA-N 1 0 300.446 3.095 50 0 DGAARO CCN(C(=O)c1ccccn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000069744777 431218309 /nfs/dbraw/zinc/21/83/09/431218309.db2.gz KZBYAZPOTCUKDD-WMZOPIPTSA-N 1 0 323.440 3.379 50 0 DGAARO COc1ccc([C@@H](C)[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1Cl ZINC000069776220 431218342 /nfs/dbraw/zinc/21/83/42/431218342.db2.gz RMAFNDUGSWVLJH-TZMCWYRMSA-N 1 0 324.852 3.258 50 0 DGAARO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000069841536 431225090 /nfs/dbraw/zinc/22/50/90/431225090.db2.gz RBQYVVDXSSUCHQ-QCUIPMNBSA-N 1 0 308.429 3.139 50 0 DGAARO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000069841535 431225449 /nfs/dbraw/zinc/22/54/49/431225449.db2.gz RBQYVVDXSSUCHQ-IYICPGQYSA-N 1 0 308.429 3.139 50 0 DGAARO Cc1cc2ncn(C3=CC(=O)N(c4ccccc4)C3=O)c2cc1C ZINC000001441962 431225659 /nfs/dbraw/zinc/22/56/59/431225659.db2.gz GRIJZXJESOBYJM-UHFFFAOYSA-N 1 0 317.348 3.067 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc3ccccc32)N1 ZINC000001408234 431226588 /nfs/dbraw/zinc/22/65/88/431226588.db2.gz QSKJRHOGEDXIMR-QGZVFWFLSA-N 1 0 313.364 3.286 50 0 DGAARO CCC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000001587100 431233622 /nfs/dbraw/zinc/23/36/22/431233622.db2.gz BLPLYMRLMNRFQY-LJQANCHMSA-N 1 0 310.441 3.428 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000070038147 431234864 /nfs/dbraw/zinc/23/48/64/431234864.db2.gz PQYOOLLUASGLMH-IAGOWNOFSA-N 1 0 324.827 3.454 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000070172477 431240834 /nfs/dbraw/zinc/24/08/34/431240834.db2.gz JNSZDWGUOHDHDI-ONGXEEELSA-N 1 0 301.217 3.193 50 0 DGAARO COc1ccc(OC[C@H](O)C[NH2+]C2CCCC2)c(C(C)(C)C)c1 ZINC000002624244 431259046 /nfs/dbraw/zinc/25/90/46/431259046.db2.gz LGKZHIZKWDAFRJ-OAHLLOKOSA-N 1 0 321.461 3.265 50 0 DGAARO c1cc(CN2CCC([NH+]3CCCCCC3)CC2)cc2c1OCO2 ZINC000002497299 431254842 /nfs/dbraw/zinc/25/48/42/431254842.db2.gz 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Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1F ZINC000009983567 431450034 /nfs/dbraw/zinc/45/00/34/431450034.db2.gz RJCIWYFXUPSCNA-UHFFFAOYSA-N 1 0 314.404 3.386 50 0 DGAARO COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000010017881 431452715 /nfs/dbraw/zinc/45/27/15/431452715.db2.gz NNDIDJBGZROFKN-KRWDZBQOSA-N 1 0 312.413 3.036 50 0 DGAARO CC1CC[NH+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000010383775 431458884 /nfs/dbraw/zinc/45/88/84/431458884.db2.gz BHDZATDKILUROV-NRFBVMONSA-N 1 0 321.505 3.312 50 0 DGAARO C[C@H]1CCC[N@H+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 ZINC000010383763 431460741 /nfs/dbraw/zinc/46/07/41/431460741.db2.gz QVHQXGHHFPAPQQ-XXZQBKANSA-N 1 0 321.505 3.312 50 0 DGAARO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000076089546 431522831 /nfs/dbraw/zinc/52/28/31/431522831.db2.gz LSAZOGMFNKMHGF-KBPBESRZSA-N 1 0 308.470 3.092 50 0 DGAARO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000012750545 431526887 /nfs/dbraw/zinc/52/68/87/431526887.db2.gz TUIVAXVFZDAMFH-LBPRGKRZSA-N 1 0 304.415 3.436 50 0 DGAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](CC)CC1 ZINC000011953192 431488438 /nfs/dbraw/zinc/48/84/38/431488438.db2.gz JUBKNNVIBXURKT-UHFFFAOYSA-N 1 0 305.418 3.121 50 0 DGAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000012303882 431500234 /nfs/dbraw/zinc/50/02/34/431500234.db2.gz IVWRPJLPSXTWHQ-KRWDZBQOSA-N 1 0 310.397 3.185 50 0 DGAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1F ZINC000012314416 431501094 /nfs/dbraw/zinc/50/10/94/431501094.db2.gz SYPUMIFABJCJKC-OAHLLOKOSA-N 1 0 303.356 3.436 50 0 DGAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccccc1F ZINC000012355729 431503601 /nfs/dbraw/zinc/50/36/01/431503601.db2.gz PKHIAIFJKFPBLG-MRXNPFEDSA-N 1 0 318.417 3.454 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCC2)c2ccc(F)cc12 ZINC000012421996 431507595 /nfs/dbraw/zinc/50/75/95/431507595.db2.gz OQRBSWLZGASZPC-INIZCTEOSA-N 1 0 304.409 3.244 50 0 DGAARO CCC[C@H](C)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000012533677 431513228 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ZINC000012995451 431540323 /nfs/dbraw/zinc/54/03/23/431540323.db2.gz GNUBHQBJJWZAGK-UHFFFAOYSA-N 1 0 302.805 3.332 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000012979883 431541004 /nfs/dbraw/zinc/54/10/04/431541004.db2.gz NJIPPAAMJUIVMO-LJQANCHMSA-N 1 0 321.424 3.130 50 0 DGAARO Cc1ccccc1CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012976249 431541127 /nfs/dbraw/zinc/54/11/27/431541127.db2.gz RDUOGUUPDCWVER-UHFFFAOYSA-N 1 0 317.477 3.146 50 0 DGAARO C[NH+]1CCC(NC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000013775562 431569871 /nfs/dbraw/zinc/56/98/71/431569871.db2.gz GRLRAUYHFRHHLB-UHFFFAOYSA-N 1 0 318.273 3.374 50 0 DGAARO COc1cccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)c1 ZINC000014196259 431585939 /nfs/dbraw/zinc/58/59/39/431585939.db2.gz QAYFWFKIZFVRAB-UHFFFAOYSA-N 1 0 312.413 3.026 50 0 DGAARO C[C@](CO)([NH2+]Cc1nnc(-c2cccs2)o1)C1CCCCC1 ZINC000077656896 431614077 /nfs/dbraw/zinc/61/40/77/431614077.db2.gz GXGPAIWZQWDVJG-MRXNPFEDSA-N 1 0 321.446 3.219 50 0 DGAARO Cc1ccc(C)c(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000020218750 431621487 /nfs/dbraw/zinc/62/14/87/431621487.db2.gz NNJNIYZMPZKFSB-FQEVSTJZSA-N 1 0 310.441 3.159 50 0 DGAARO CCOC(=O)C1=C(N)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000020494382 431625794 /nfs/dbraw/zinc/62/57/94/431625794.db2.gz QHPMSQMNAPOMBZ-HKUYNNGSSA-N 1 0 322.408 3.238 50 0 DGAARO C[C@@H](c1ccc2c(c1)OCCO2)N(C)Cc1cc(C2CC2)n[nH]1 ZINC000020540552 431627113 /nfs/dbraw/zinc/62/71/13/431627113.db2.gz WYSSDBYYFABZCB-LBPRGKRZSA-N 1 0 313.401 3.251 50 0 DGAARO Cc1ccc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000023134238 431636503 /nfs/dbraw/zinc/63/65/03/431636503.db2.gz HNFNVEDPILYARV-UHFFFAOYSA-N 1 0 323.440 3.308 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccccc1)c1ccsc1 ZINC000025810432 431666870 /nfs/dbraw/zinc/66/68/70/431666870.db2.gz UJGYAUDYSUBAFK-ROJDOSBLSA-N 1 0 300.427 3.180 50 0 DGAARO C[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC000078570618 431682571 /nfs/dbraw/zinc/68/25/71/431682571.db2.gz NIUIYONNBJSBMH-DJIMGWMZSA-N 1 0 306.494 3.439 50 0 DGAARO COc1ccc(-c2nnc(C[NH+]3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000027342646 431687604 /nfs/dbraw/zinc/68/76/04/431687604.db2.gz SBNAMIFTPSKMEZ-CHWSQXEVSA-N 1 0 301.390 3.223 50 0 DGAARO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000027558541 431688206 /nfs/dbraw/zinc/68/82/06/431688206.db2.gz OLASCPOUHXEQEC-CYBMUJFWSA-N 1 0 311.360 3.027 50 0 DGAARO C[NH+](C)C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000028317138 431704943 /nfs/dbraw/zinc/70/49/43/431704943.db2.gz FNNWVDKWZQSCOX-HXUWFJFHSA-N 1 0 320.440 3.265 50 0 DGAARO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000028645396 431708201 /nfs/dbraw/zinc/70/82/01/431708201.db2.gz JUKMAYKVHWKRKY-CHWSQXEVSA-N 1 0 302.201 3.392 50 0 in-vitro DGAARO Cc1cccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1C ZINC000030363268 431738898 /nfs/dbraw/zinc/73/88/98/431738898.db2.gz KJSMMRCUNSIGJC-UHFFFAOYSA-N 1 0 308.425 3.092 50 0 DGAARO CCOCc1ccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 ZINC000030902755 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C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000058157830 431994466 /nfs/dbraw/zinc/99/44/66/431994466.db2.gz HZGZCYNIXAIDNU-SNVBAGLBSA-N 1 0 308.303 3.393 50 0 DGAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@H](C)c1cc(C)sc1C)CN2 ZINC000058294445 431995318 /nfs/dbraw/zinc/99/53/18/431995318.db2.gz WKLBANUMSNLCHV-TZMCWYRMSA-N 1 0 304.463 3.262 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000058845034 431998381 /nfs/dbraw/zinc/99/83/81/431998381.db2.gz RUAWOUYTQHETBT-GOSISDBHSA-N 1 0 309.413 3.062 50 0 DGAARO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cnc2ccccn12 ZINC000191487935 432268512 /nfs/dbraw/zinc/26/85/12/432268512.db2.gz YZKMUJLZYAKIEQ-KRWDZBQOSA-N 1 0 309.413 3.024 50 0 DGAARO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000191933563 432316376 /nfs/dbraw/zinc/31/63/76/432316376.db2.gz KWWLPCLTWQADNW-UHFFFAOYSA-N 1 0 310.401 3.418 50 0 DGAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC(F)F)cc1 ZINC000252512074 432380849 /nfs/dbraw/zinc/38/08/49/432380849.db2.gz 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Cc1ccc2[nH]c(C3CC[NH+](C[C@H]4CCCOC4)CC3)nc2c1 ZINC000243893555 432819940 /nfs/dbraw/zinc/81/99/40/432819940.db2.gz ASAQHWBQLMAARB-OAHLLOKOSA-N 1 0 313.445 3.477 50 0 DGAARO Cc1nccn1CCC[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244724079 432821327 /nfs/dbraw/zinc/82/13/27/432821327.db2.gz MNDBGZVJUBYIID-SFHVURJKSA-N 1 0 312.461 3.040 50 0 DGAARO Cc1ccccc1[C@]1(O)CC[N@@H+](Cc2snnc2C(C)C)C1 ZINC000244715839 432822120 /nfs/dbraw/zinc/82/21/20/432822120.db2.gz LDIQPFXUIJJKKR-KRWDZBQOSA-N 1 0 317.458 3.063 50 0 DGAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(-n2ccnc2)cc1 ZINC000245316654 432824508 /nfs/dbraw/zinc/82/45/08/432824508.db2.gz KBRYSUMOMQJQTO-OKDNKWQNSA-N 1 0 311.429 3.336 50 0 DGAARO OC1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCOCC1 ZINC000238144641 432813323 /nfs/dbraw/zinc/81/33/23/432813323.db2.gz JWNHIUPZQIITNN-UHFFFAOYSA-N 1 0 321.804 3.231 50 0 DGAARO O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000241121758 432815245 /nfs/dbraw/zinc/81/52/45/432815245.db2.gz JDRVZCANCBCXBZ-RCCFBDPRSA-N 1 0 316.420 3.016 50 0 DGAARO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000241326129 432815252 /nfs/dbraw/zinc/81/52/52/432815252.db2.gz LZMBKABBWSXSDN-IAOVAPTHSA-N 1 0 308.491 3.167 50 0 DGAARO COC[C@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245593277 432847959 /nfs/dbraw/zinc/84/79/59/432847959.db2.gz GVYYTXWDAVHTAW-PKOBYXMFSA-N 1 0 319.445 3.103 50 0 DGAARO COc1ccc(C(=O)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000296788099 432926783 /nfs/dbraw/zinc/92/67/83/432926783.db2.gz PZBQMUNPQXJDGT-UHFFFAOYSA-N 1 0 324.424 3.228 50 0 DGAARO CCc1ccc2occ(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000296936023 432940699 /nfs/dbraw/zinc/94/06/99/432940699.db2.gz IUKHHHAZGABDOK-GOOCMWNKSA-N 1 0 312.413 3.350 50 0 DGAARO c1csc(N2CCC[N@@H+](Cc3cccc4cccnc43)CC2)n1 ZINC000299233901 433353395 /nfs/dbraw/zinc/35/33/95/433353395.db2.gz IIRHXCDXFDBCJF-UHFFFAOYSA-N 1 0 324.453 3.404 50 0 DGAARO Cc1ccc(C)c(CC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000299773557 433381039 /nfs/dbraw/zinc/38/10/39/433381039.db2.gz FSOLISRTNXXAJR-KRWDZBQOSA-N 1 0 314.473 3.227 50 0 DGAARO Cc1cccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccn2)c1 ZINC000299783642 433381147 /nfs/dbraw/zinc/38/11/47/433381147.db2.gz XGMRUFFAAZPILW-LJQANCHMSA-N 1 0 323.440 3.061 50 0 DGAARO CCSCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299783700 433381625 /nfs/dbraw/zinc/38/16/25/433381625.db2.gz XESNYPIEYXJBHX-KRWDZBQOSA-N 1 0 320.502 3.473 50 0 DGAARO Cc1ccc(CCC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000299783836 433382828 /nfs/dbraw/zinc/38/28/28/433382828.db2.gz ZKWLEMDPETWBKI-GOSISDBHSA-N 1 0 314.473 3.308 50 0 DGAARO Cc1noc(C)c1CNC(=O)Nc1cc2nc[nH]c2c(C)c1C ZINC000426388088 433479946 /nfs/dbraw/zinc/47/99/46/433479946.db2.gz YUEHESNXZQVMNW-UHFFFAOYSA-N 1 0 313.361 3.106 50 0 DGAARO CNC(=O)C(C[C@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001648447 290347397 /nfs/dbraw/zinc/34/73/97/290347397.db2.gz LNAGWQRZAGHEBH-INIZCTEOSA-N 1 0 310.441 3.059 50 0 DGAARO CSc1cccc(CNC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000426641462 433549346 /nfs/dbraw/zinc/54/93/46/433549346.db2.gz GQZFLGSSDPVOOO-HNNXBMFYSA-N 1 0 321.490 3.034 50 0 DGAARO CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(Cl)cn2)cc1 ZINC000426662346 433554792 /nfs/dbraw/zinc/55/47/92/433554792.db2.gz UJTKZMABJFRNBF-UHFFFAOYSA-N 1 0 317.820 3.036 50 0 DGAARO Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000426684515 433561319 /nfs/dbraw/zinc/56/13/19/433561319.db2.gz OOAJIZRBHWCWGL-AWEZNQCLSA-N 1 0 312.388 3.222 50 0 DGAARO C[NH+](C)CC[C@@H](NC(=O)c1cccn1C1CC1)c1ccccc1 ZINC000426634082 433546945 /nfs/dbraw/zinc/54/69/45/433546945.db2.gz BPDUSFHJDNGELB-QGZVFWFLSA-N 1 0 311.429 3.246 50 0 DGAARO COC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000352240372 434002865 /nfs/dbraw/zinc/00/28/65/434002865.db2.gz AALOHYDSDYIWQV-HNNXBMFYSA-N 1 0 304.434 3.025 50 0 DGAARO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)CCC2 ZINC000366366441 434398192 /nfs/dbraw/zinc/39/81/92/434398192.db2.gz YTNNCSHDGDFSNN-AWEZNQCLSA-N 1 0 323.391 3.093 50 0 DGAARO Nc1cccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000423783058 434532703 /nfs/dbraw/zinc/53/27/03/434532703.db2.gz ZSRADSJVGKYSGX-UHFFFAOYSA-N 1 0 309.413 3.159 50 0 DGAARO COc1ccc([C@@H]([NH2+]C[C@H](O)c2cccnc2)C(C)C)cc1 ZINC000408513784 434581701 /nfs/dbraw/zinc/58/17/01/434581701.db2.gz DCYIMNLMJGYCDI-ROUUACIJSA-N 1 0 300.402 3.111 50 0 DGAARO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000408519173 434583637 /nfs/dbraw/zinc/58/36/37/434583637.db2.gz MYVNOFBISYAMMY-BZUAXINKSA-N 1 0 318.461 3.224 50 0 DGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)NCc1ccccc1 ZINC000409413487 434600192 /nfs/dbraw/zinc/60/01/92/434600192.db2.gz IIODNHIAQSWMFH-ZWKOTPCHSA-N 1 0 315.461 3.093 50 0 biogenic DGAARO O=C(N1CC[C@@H]1c1cccs1)C1([NH+]2CCCC2)CCCC1 ZINC000065502276 303691888 /nfs/dbraw/zinc/69/18/88/303691888.db2.gz XMKHSBLKKVAZTF-CQSZACIVSA-N 1 0 304.459 3.430 50 0 DGAARO Cc1ccc2oc(N3CCN(c4cc[nH+]cc4C)CC3)nc2c1 ZINC000192567950 323454913 /nfs/dbraw/zinc/45/49/13/323454913.db2.gz KMFWNMIQLYGSCN-UHFFFAOYSA-N 1 0 308.385 3.166 50 0 DGAARO COc1cc(OC)nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000534582850 334289797 /nfs/dbraw/zinc/28/97/97/334289797.db2.gz NJNGTILZJXQAQM-ZDUSSCGKSA-N 1 0 313.401 3.318 50 0 DGAARO c1ccc(OCC2(C[NH2+]C3CSCCSC3)CC2)cc1 ZINC000534585035 334291598 /nfs/dbraw/zinc/29/15/98/334291598.db2.gz VCEFWYZNYCRNJW-UHFFFAOYSA-N 1 0 309.500 3.284 50 0 DGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]C1(Cc2cccc(C)c2)CC1 ZINC000534654399 334313211 /nfs/dbraw/zinc/31/32/11/334313211.db2.gz BEUVVASVKMCQIR-OAHLLOKOSA-N 1 0 302.462 3.353 50 0 DGAARO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000299739961 533795173 /nfs/dbraw/zinc/79/51/73/533795173.db2.gz UCSNVMGKZFFIES-MGPQQGTHSA-N 1 0 324.852 3.002 50 0 DGAARO CC(C)(C)c1ccc(CNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000417325738 526776006 /nfs/dbraw/zinc/77/60/06/526776006.db2.gz CDAUMGASSHHEOT-MRXNPFEDSA-N 1 0 303.450 3.007 50 0 DGAARO CCOc1ccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000000034917 545643043 /nfs/dbraw/zinc/64/30/43/545643043.db2.gz QWYUPEMJGJVOFD-LJQANCHMSA-N 1 0 313.397 3.338 50 0 biogenic DGAARO C[C@]1(O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)OC12CCCCC2 ZINC000000034439 545643423 /nfs/dbraw/zinc/64/34/23/545643423.db2.gz LBDHAMZCGPCEQR-QGZVFWFLSA-N 1 0 324.465 3.159 50 0 DGAARO O=C(NC1CCCCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128918 545669575 /nfs/dbraw/zinc/66/95/75/545669575.db2.gz RSOYGNVINJBBDS-UHFFFAOYSA-N 1 0 301.434 3.137 50 0 DGAARO COC1(C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CCOCC1 ZINC000170073294 546099853 /nfs/dbraw/zinc/09/98/53/546099853.db2.gz KLNOFOUUJNHNAM-INIZCTEOSA-N 1 0 313.388 3.447 50 0 DGAARO CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000170070745 546100199 /nfs/dbraw/zinc/10/01/99/546100199.db2.gz FBUYULMCHZVKII-HNNXBMFYSA-N 1 0 306.768 3.138 50 0 DGAARO CC(C)(CN1CCOCC1)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000215107001 546260244 /nfs/dbraw/zinc/26/02/44/546260244.db2.gz FRYGXTKLNJJESZ-HNNXBMFYSA-N 1 0 323.506 3.029 50 0 DGAARO c1cc2c(s1)C1(CC[NH+](C[C@@H]3CCCCO3)CC1)OCC2 ZINC000352794524 546655623 /nfs/dbraw/zinc/65/56/23/546655623.db2.gz MODKLODJQICULS-HNNXBMFYSA-N 1 0 307.459 3.181 50 0 DGAARO c1cc2c(s1)C1(CC[NH+](Cc3ccncc3)CC1)OCC2 ZINC000352784037 546656134 /nfs/dbraw/zinc/65/61/34/546656134.db2.gz LYRPMGBFYRYUET-UHFFFAOYSA-N 1 0 300.427 3.207 50 0 DGAARO CCn1cc(C[NH+]2CCC3(CC2)OCCc2ccsc23)cn1 ZINC000353152409 546658850 /nfs/dbraw/zinc/65/88/50/546658850.db2.gz NPVSPHUEETXTCD-UHFFFAOYSA-N 1 0 317.458 3.029 50 0 DGAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)CO)c1 ZINC000670435489 547753950 /nfs/dbraw/zinc/75/39/50/547753950.db2.gz CKIYVMMDPSXVNY-UHFFFAOYSA-N 1 0 301.434 3.144 50 0 DGAARO CNC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000670440543 547754523 /nfs/dbraw/zinc/75/45/23/547754523.db2.gz CVSZMZHVSOXCRC-ZDUSSCGKSA-N 1 0 306.475 3.364 50 0 DGAARO CC[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc(C)cc1C ZINC000670450919 547755701 /nfs/dbraw/zinc/75/57/01/547755701.db2.gz GIYHWIAQLTUWTA-KRWDZBQOSA-N 1 0 303.450 3.053 50 0 DGAARO Nc1ncc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC000670450089 547755800 /nfs/dbraw/zinc/75/58/00/547755800.db2.gz CTXXNCOOUAPANT-LLVKDONJSA-N 1 0 314.414 3.246 50 0 DGAARO CCOc1ccnc(NCC[C@H]2CCCC[N@@H+]2C2CCCC2)n1 ZINC000670454092 547756034 /nfs/dbraw/zinc/75/60/34/547756034.db2.gz OVKLUYBOZLMNOZ-MRXNPFEDSA-N 1 0 318.465 3.474 50 0 DGAARO Cn1ccnc1CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000670452328 547756053 /nfs/dbraw/zinc/75/60/53/547756053.db2.gz AKDJPZUIUXMPGD-UHFFFAOYSA-N 1 0 319.836 3.159 50 0 DGAARO CC(C)(O)[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC000670456231 547757060 /nfs/dbraw/zinc/75/70/60/547757060.db2.gz UJLPIQYYKDNZKN-LLVKDONJSA-N 1 0 305.315 3.437 50 0 DGAARO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000670461043 547758218 /nfs/dbraw/zinc/75/82/18/547758218.db2.gz VTTBBDYQURQSQV-GFCCVEGCSA-N 1 0 305.315 3.437 50 0 DGAARO c1cc(-c2ncnn2CCc2ccccc2)oc1C[NH+]1CCCC1 ZINC000670471858 547759494 /nfs/dbraw/zinc/75/94/94/547759494.db2.gz BBQPXYOSZNYEGO-UHFFFAOYSA-N 1 0 322.412 3.377 50 0 DGAARO CC(C)(C)[C@@H](Cc1ccccc1)NC(=O)CC1CC[NH2+]CC1 ZINC000170048906 563902972 /nfs/dbraw/zinc/90/29/72/563902972.db2.gz LSFURURCGDBQSE-QGZVFWFLSA-N 1 0 302.462 3.150 50 0 DGAARO CC1(C)C[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CO1 ZINC000585087345 574817740 /nfs/dbraw/zinc/81/77/40/574817740.db2.gz FJDARJQPMKEOPC-KRWDZBQOSA-N 1 0 312.413 3.318 50 0 DGAARO Cc1cccc2c1[C@@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CC2 ZINC000863983101 621724144 /nfs/dbraw/zinc/72/41/44/621724144.db2.gz AOMXORIWDXWMHP-IBGZPJMESA-N 1 0 318.424 3.412 50 0 DGAARO C[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc(Cl)cc1 ZINC000020550930 623317756 /nfs/dbraw/zinc/31/77/56/623317756.db2.gz PZLLZYNCUVLMPB-LBPRGKRZSA-N 1 0 300.793 3.276 50 0 DGAARO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000809690683 626936647 /nfs/dbraw/zinc/93/66/47/626936647.db2.gz CARHCZVFAYGBDH-OAHLLOKOSA-N 1 0 315.417 3.269 50 0 DGAARO CCCOc1c(C[N@H+](C)C[C@H](O)C2CC2)cccc1OCC ZINC000809751738 626946744 /nfs/dbraw/zinc/94/67/44/626946744.db2.gz JOCKLKUZBJTRAB-INIZCTEOSA-N 1 0 307.434 3.077 50 0 DGAARO CC(C)(C)OC(=O)N1C2CCC1(C[NH2+]C1(C)CCOCC1)CC2 ZINC000952993205 660447464 /nfs/dbraw/zinc/44/74/64/660447464.db2.gz RHRVPNCYWCOYID-UHFFFAOYSA-N 1 0 324.465 3.077 50 0 DGAARO Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012000380 660491112 /nfs/dbraw/zinc/49/11/12/660491112.db2.gz XKOZBGMXSGIURX-INIZCTEOSA-N 1 0 304.434 3.363 50 0 DGAARO c1[nH]nc(C2CC[NH+](C3CCOCC3)CC2)c1-c1ccccc1 ZINC000012150865 660500452 /nfs/dbraw/zinc/50/04/52/660500452.db2.gz UVXLKDMKYQFKIH-UHFFFAOYSA-N 1 0 311.429 3.435 50 0 DGAARO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000793181332 661010625 /nfs/dbraw/zinc/01/06/25/661010625.db2.gz BTWHJALUGJUQGR-SFHVURJKSA-N 1 0 311.429 3.233 50 0 DGAARO CC[NH+](CC)CC(=O)N[C@@]1(C)CCCC[C@H]1c1ccc(O)cc1 ZINC000004829032 656386759 /nfs/dbraw/zinc/38/67/59/656386759.db2.gz UQINWEHNZRTUQN-HKUYNNGSSA-N 1 0 318.461 3.267 50 0 DGAARO COc1cc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)ccc1F ZINC000089577292 657856602 /nfs/dbraw/zinc/85/66/02/657856602.db2.gz BWOBSHFBLSIVQA-NSHDSACASA-N 1 0 307.369 3.234 50 0 DGAARO Clc1cccc(OC2CC[NH+](CCn3cccn3)CC2)c1 ZINC000020860984 658723393 /nfs/dbraw/zinc/72/33/93/658723393.db2.gz HWZXWCMTTLMBPI-UHFFFAOYSA-N 1 0 305.809 3.080 50 0 DGAARO CSCC[C@H]([NH3+])C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000156605079 658928102 /nfs/dbraw/zinc/92/81/02/658928102.db2.gz PEHZIQUFTHVCLI-NSHDSACASA-N 1 0 312.866 3.045 50 0 DGAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000032529736 659471377 /nfs/dbraw/zinc/47/13/77/659471377.db2.gz RHZUSEZBRZQAGM-GDBMZVCRSA-N 1 0 308.441 3.324 50 0 DGAARO COc1ccc2oc([C@@H](C)[NH2+]CCN3CCCC3=O)c(C)c2c1 ZINC000184340961 660163892 /nfs/dbraw/zinc/16/38/92/660163892.db2.gz XDEABMGHYZEFFN-CYBMUJFWSA-N 1 0 316.401 3.023 50 0 DGAARO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC000952965042 662209055 /nfs/dbraw/zinc/20/90/55/662209055.db2.gz PTWLUDCUXSQUBQ-HNNXBMFYSA-N 1 0 309.841 3.252 50 0 DGAARO Cc1ccc(N2CCC([NH2+]CCc3c[nH]cn3)CC2)cc1Cl ZINC000952964738 662209110 /nfs/dbraw/zinc/20/91/10/662209110.db2.gz PGUCLLAHLMNFHW-UHFFFAOYSA-N 1 0 318.852 3.173 50 0 DGAARO COc1ncc(C[NH2+][C@H]2CC(C)(C)Oc3cc(C)ccc32)cn1 ZINC000952972161 662209448 /nfs/dbraw/zinc/20/94/48/662209448.db2.gz FPEUAFXWPVMGJX-HNNXBMFYSA-N 1 0 313.401 3.186 50 0 DGAARO Fc1ccccc1CCC[NH2+]Cc1cnc(-c2ccccn2)nc1 ZINC000952977093 662209651 /nfs/dbraw/zinc/20/96/51/662209651.db2.gz WTDSVZBSGZFKJC-UHFFFAOYSA-N 1 0 322.387 3.400 50 0 DGAARO C[NH2+]CC(=O)Nc1ccccc1SCc1cccc(C)c1 ZINC000952983742 662210097 /nfs/dbraw/zinc/21/00/97/662210097.db2.gz XGGHTKUXXOLZSB-UHFFFAOYSA-N 1 0 300.427 3.445 50 0 DGAARO CCCN1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC1=O ZINC000952985956 662210177 /nfs/dbraw/zinc/21/01/77/662210177.db2.gz CBQKNEYSUFVOFQ-LBPRGKRZSA-N 1 0 301.217 3.094 50 0 DGAARO COc1ncc(C[N@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000952982355 662210244 /nfs/dbraw/zinc/21/02/44/662210244.db2.gz WLJMCXWXGHIZAL-LJQANCHMSA-N 1 0 311.429 3.285 50 0 DGAARO COc1ccc2[nH]c(C[NH2+]Cc3cnc(C(C)C)nc3)cc2c1 ZINC000952982353 662210332 /nfs/dbraw/zinc/21/03/32/662210332.db2.gz OSYCDUQIWCYLMR-UHFFFAOYSA-N 1 0 310.401 3.380 50 0 DGAARO CC[C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)n1cccn1 ZINC000952986429 662210342 /nfs/dbraw/zinc/21/03/42/662210342.db2.gz FPJGFDCWIIALAT-QGZVFWFLSA-N 1 0 312.417 3.069 50 0 DGAARO Cc1cccc(N2CCC([NH2+]CCCn3ccnc3)CC2)c1C ZINC000952982982 662210350 /nfs/dbraw/zinc/21/03/50/662210350.db2.gz NRCAUARWBWYHSC-UHFFFAOYSA-N 1 0 312.461 3.149 50 0 DGAARO C[N@@H+](Cc1cccc2nonc21)C[C@H]1CCN(c2ccccc2)C1 ZINC000952991425 662210677 /nfs/dbraw/zinc/21/06/77/662210677.db2.gz RKWYWNXAOOMVMO-OAHLLOKOSA-N 1 0 322.412 3.181 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)c(F)c1 ZINC000089578771 662245334 /nfs/dbraw/zinc/24/53/34/662245334.db2.gz LMELXKGZVUNVKL-LLVKDONJSA-N 1 0 307.369 3.234 50 0 DGAARO c1cc2ccc(NC3CC[NH+](Cc4ccccn4)CC3)nc2[nH]1 ZINC000072425185 685058305 /nfs/dbraw/zinc/05/83/05/685058305.db2.gz SGFDHUKOGTYTJZ-UHFFFAOYSA-N 1 0 307.401 3.034 50 0 DGAARO Cc1ccccc1[C@]1(O)CC[N@@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000071752865 685058799 /nfs/dbraw/zinc/05/87/99/685058799.db2.gz AUCXTWOMBPQUBY-IBGZPJMESA-N 1 0 311.429 3.002 50 0 DGAARO CC(=O)c1cnc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)nc1C ZINC001772701086 1176671248 /nfs/dbraw/zinc/67/12/48/1176671248.db2.gz JDXKPKNUMNBCLP-KRWDZBQOSA-N 1 0 312.417 3.011 50 0 DGAARO O[C@H]1C[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]12 ZINC001772706411 1176674144 /nfs/dbraw/zinc/67/41/44/1176674144.db2.gz QHROENSVVBRXPR-HOJAQTOUSA-N 1 0 309.409 3.078 50 0 DGAARO CCc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccs3)C2)nc1 ZINC001506419719 1186225967 /nfs/dbraw/zinc/22/59/67/1186225967.db2.gz VTOZAPPHDAZBCU-QGZVFWFLSA-N 1 0 315.486 3.460 50 0 DGAARO Cn1cnnc1CC[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC001506422258 1186226819 /nfs/dbraw/zinc/22/68/19/1186226819.db2.gz NGCIZYAXCFMIHW-GOSISDBHSA-N 1 0 312.461 3.139 50 0 DGAARO Fc1cnccc1NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001529092607 1187531266 /nfs/dbraw/zinc/53/12/66/1187531266.db2.gz VPPRLBKYSRVWQG-QGZVFWFLSA-N 1 0 313.420 3.499 50 0 DGAARO Cc1cc(F)cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001529120188 1187533712 /nfs/dbraw/zinc/53/37/12/1187533712.db2.gz WBMHXDWWXLQSGD-MHGIMSBQSA-N 1 0 318.436 3.325 50 0 DGAARO Cc1cc(C[C@@H]2C[N@H+](CC3=C(C)CCCC3(C)C)C[C@H]2O)[nH]n1 ZINC001529187298 1187539998 /nfs/dbraw/zinc/53/99/98/1187539998.db2.gz RGORPLCANMGMFO-CRAIPNDOSA-N 1 0 317.477 3.080 50 0 DGAARO COc1ccc2c(c1)CCOC21CC[NH+](Cc2cccnc2)CC1 ZINC001704298207 1202519487 /nfs/dbraw/zinc/51/94/87/1202519487.db2.gz HDZLGYMFGXTXSV-UHFFFAOYSA-N 1 0 324.424 3.154 50 0 DGAARO COc1ccc(C[N@H+]2CCC[C@@]3(CCC[C@H]3OC)C2)cc1OC ZINC001704297193 1202519518 /nfs/dbraw/zinc/51/95/18/1202519518.db2.gz JLTCIDPLVNTVBT-MOPGFXCFSA-N 1 0 319.445 3.485 50 0 DGAARO Cc1ccc(C)c(C[NH+]2CCC3(CC2)C[C@@](C)(O)CCO3)c1 ZINC001704304026 1202519937 /nfs/dbraw/zinc/51/99/37/1202519937.db2.gz DYPPWBQSUITFKN-SFHVURJKSA-N 1 0 303.446 3.199 50 0 DGAARO Cc1ccc([C@H](C)CCN(CC[NH+](C)C)Cc2c[nH]c(C)n2)o1 ZINC001704310828 1202520068 /nfs/dbraw/zinc/52/00/68/1202520068.db2.gz UJQCKKXGDIQUQL-CQSZACIVSA-N 1 0 318.465 3.177 50 0 DGAARO Cc1cc(NCc2cc(C3CC3)on2)nc(N2CCCCC2)[nH+]1 ZINC001704311454 1202520393 /nfs/dbraw/zinc/52/03/93/1202520393.db2.gz KLIJQNLKPZWJKT-UHFFFAOYSA-N 1 0 313.405 3.253 50 0 DGAARO COc1ccc2c(c1)CCOC21CC[NH+](Cc2ccncc2)CC1 ZINC001704343813 1202521685 /nfs/dbraw/zinc/52/16/85/1202521685.db2.gz ZIZDNLLQMIRLCH-UHFFFAOYSA-N 1 0 324.424 3.154 50 0 DGAARO C[C@]1(O)CCOC2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC001704335797 1202521878 /nfs/dbraw/zinc/52/18/78/1202521878.db2.gz GTUUOHDSMZHKEK-INIZCTEOSA-N 1 0 309.837 3.236 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)NC2CCCCC2)C1 ZINC000575548984 1086959172 /nfs/dbraw/zinc/95/91/72/1086959172.db2.gz MBSIRRYQLMYMJQ-MRXNPFEDSA-N 1 0 316.449 3.358 50 0 DGAARO COc1ccc2[nH]c(C[NH2+]C3CSCCSC3)cc2c1 ZINC000824758621 1091724522 /nfs/dbraw/zinc/72/45/22/1091724522.db2.gz UOSJTCPFEOXSET-UHFFFAOYSA-N 1 0 308.472 3.115 50 0 DGAARO Cc1csc(C[NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000825258220 1091736152 /nfs/dbraw/zinc/73/61/52/1091736152.db2.gz DIMMQCDHGPARAC-UHFFFAOYSA-N 1 0 323.412 3.488 50 0 DGAARO Cc1cccc(N2CCC([NH2+]C3CSCCSC3)CC2)c1 ZINC000825218921 1091736218 /nfs/dbraw/zinc/73/62/18/1091736218.db2.gz XIYJBJVYEOOLKQ-UHFFFAOYSA-N 1 0 322.543 3.402 50 0 DGAARO O=C(CCc1ccncc1)Nc1ccccc1C[NH+]1CCCC1 ZINC000828075213 1091803957 /nfs/dbraw/zinc/80/39/57/1091803957.db2.gz XOELKWQWHRXIDO-UHFFFAOYSA-N 1 0 309.413 3.249 50 0 DGAARO Cn1ccc2cc(C[N@@H+]3CCOc4ccc(CO)cc4C3)ccc21 ZINC000828827039 1091847527 /nfs/dbraw/zinc/84/75/27/1091847527.db2.gz ZFCIGFQPNNYYFF-UHFFFAOYSA-N 1 0 322.408 3.065 50 0 DGAARO Cc1cnc(-c2ccncc2)n1C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000575547541 1092048018 /nfs/dbraw/zinc/04/80/18/1092048018.db2.gz IAYBDSPTTULNBE-QGZVFWFLSA-N 1 0 310.445 3.376 50 0 DGAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000575547612 1092048663 /nfs/dbraw/zinc/04/86/63/1092048663.db2.gz MDOGEAPJWYYXQW-CQSZACIVSA-N 1 0 318.446 3.051 50 0 DGAARO Cc1cccc(OCCc2noc([C@@H]3CCCCN3C)n2)c1 ZINC000581797708 1092273862 /nfs/dbraw/zinc/27/38/62/1092273862.db2.gz LTEBEKJDISYURW-HNNXBMFYSA-N 1 0 301.390 3.156 50 0 DGAARO CCn1cc(C[N@@H+]2CCC[C@@H](n3c(C)cnc3C3CC3)C2)cn1 ZINC000581806059 1092280263 /nfs/dbraw/zinc/28/02/63/1092280263.db2.gz KJCSRKYWLXWVHF-QGZVFWFLSA-N 1 0 313.449 3.122 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)c2ccoc2)CC1 ZINC000581808301 1092281987 /nfs/dbraw/zinc/28/19/87/1092281987.db2.gz LTOMYKASVOPRJQ-UHFFFAOYSA-N 1 0 313.401 3.214 50 0 DGAARO COc1ccc(C(=O)N2CCC(CC3CC3)([NH+](C)C)CC2)cc1 ZINC000581810808 1092284185 /nfs/dbraw/zinc/28/41/85/1092284185.db2.gz AOEBKWRDVJXYPJ-UHFFFAOYSA-N 1 0 316.445 3.032 50 0 DGAARO CO[C@@H](C)C[N@H+](C)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000585084437 1094976636 /nfs/dbraw/zinc/97/66/36/1094976636.db2.gz FFQFQVZBJJEIGI-ZDUSSCGKSA-N 1 0 318.417 3.337 50 0 DGAARO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000585085011 1094981293 /nfs/dbraw/zinc/98/12/93/1094981293.db2.gz QYICSIHXHVIIJZ-KRWDZBQOSA-N 1 0 322.412 3.428 50 0 DGAARO O=C1N=NCN1C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000585085444 1094984987 /nfs/dbraw/zinc/98/49/87/1094984987.db2.gz PRIIDEDWPGVKFY-UHFFFAOYSA-N 1 0 314.414 3.036 50 0 DGAARO Cc1cn2c(C[NH2+]CCCO[C@@H]3CCCCO3)c(C)nc2s1 ZINC000585118236 1095012107 /nfs/dbraw/zinc/01/21/07/1095012107.db2.gz HXMJGHJNMSFDFE-OAHLLOKOSA-N 1 0 323.462 3.036 50 0 DGAARO Clc1ccc2sc(C[NH2+]CCCn3cccn3)cc2n1 ZINC000585118556 1095012465 /nfs/dbraw/zinc/01/24/65/1095012465.db2.gz UABSBPJRGHKZMS-UHFFFAOYSA-N 1 0 306.822 3.326 50 0 DGAARO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)C12CC[NH+](CC1)C2 ZINC000585121192 1095015225 /nfs/dbraw/zinc/01/52/25/1095015225.db2.gz IEPKMXIYBMSXID-SFHVURJKSA-N 1 0 324.399 3.127 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2ccc(Cl)o2)(C(F)(F)F)CC1 ZINC000585124837 1095022621 /nfs/dbraw/zinc/02/26/21/1095022621.db2.gz VJEXWLNUFDUGTC-UHFFFAOYSA-N 1 0 324.730 3.080 50 0 DGAARO COc1c(C)[nH]cc(C[N@H+](C)[C@@H](C)c2cccc(C)c2)c1=O ZINC000585133411 1095034801 /nfs/dbraw/zinc/03/48/01/1095034801.db2.gz HGUNNVKRDNCPOM-AWEZNQCLSA-N 1 0 300.402 3.193 50 0 DGAARO O=C1C[C@H](C[NH2+]CC2Cc3ccccc3C2)c2ccccc2N1 ZINC000952846207 1096779634 /nfs/dbraw/zinc/77/96/34/1096779634.db2.gz PMWMTDZMIGGHLR-QGZVFWFLSA-N 1 0 306.409 3.117 50 0 DGAARO C[C@@H](C[NH+]1CCCCC1)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000952870245 1096783107 /nfs/dbraw/zinc/78/31/07/1096783107.db2.gz YXOFQVFKKAEJAC-ZDUSSCGKSA-N 1 0 323.868 3.467 50 0 DGAARO Cn1cc(C2CC[NH+](CC3([C@@H]4CCCCO4)CCC3)CC2)cn1 ZINC000952880927 1096785424 /nfs/dbraw/zinc/78/54/24/1096785424.db2.gz MSTJRUWMWSIRMH-SFHVURJKSA-N 1 0 317.477 3.339 50 0 DGAARO C[C@@H]1C[C@H](CN2CCc3nc[nH]c3C23CCCCC3)CCO1 ZINC000952884331 1096787053 /nfs/dbraw/zinc/78/70/53/1096787053.db2.gz YDZKFDIVHAQHNP-HUUCEWRRSA-N 1 0 303.450 3.242 50 0 DGAARO c1ccc([C@H](CNCc2cncnc2)[NH+]2CCCCCC2)cc1 ZINC000952960268 1096788084 /nfs/dbraw/zinc/78/80/84/1096788084.db2.gz VPPMGOOCTWDOMD-IBGZPJMESA-N 1 0 310.445 3.184 50 0 DGAARO Cc1cc(NC(=O)NC(C)(C)C[NH+](C)C)c(Cl)cc1F ZINC000095507714 185375519 /nfs/dbraw/zinc/37/55/19/185375519.db2.gz AHHPBFFOXUSDNJ-UHFFFAOYSA-N 1 0 301.793 3.249 50 0 DGAARO CCOCC1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095528257 185378493 /nfs/dbraw/zinc/37/84/93/185378493.db2.gz BCBGDCTZALDRFX-KRWDZBQOSA-N 1 0 303.446 3.376 50 0 DGAARO Fc1ccc(F)c(C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000078969061 185137643 /nfs/dbraw/zinc/13/76/43/185137643.db2.gz DHXOWQBYEIXBIR-UHFFFAOYSA-N 1 0 303.356 3.118 50 0 DGAARO C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000078973657 185138188 /nfs/dbraw/zinc/13/81/88/185138188.db2.gz OFXPBQUDUCLHKY-UHFFFAOYSA-N 1 0 318.417 3.378 50 0 DGAARO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc2ccccc21 ZINC000079097606 185157885 /nfs/dbraw/zinc/15/78/85/185157885.db2.gz BLKQWNLNPLSKKL-UGSOOPFHSA-N 1 0 309.413 3.444 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccco1)c1ccccc1 ZINC000096943744 185393448 /nfs/dbraw/zinc/39/34/48/185393448.db2.gz BJNPVXNSOUBGGS-MENFKHAKSA-N 1 0 312.413 3.492 50 0 DGAARO Cc1nc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)sc1C ZINC000088737928 185263784 /nfs/dbraw/zinc/26/37/84/185263784.db2.gz DOGNXIOYFHQGSZ-INIZCTEOSA-N 1 0 301.459 3.124 50 0 DGAARO Cc1nc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)cs1 ZINC000088755382 185263852 /nfs/dbraw/zinc/26/38/52/185263852.db2.gz LBHIUPDKYUGQKB-LLVKDONJSA-N 1 0 309.385 3.098 50 0 DGAARO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000081992441 192351786 /nfs/dbraw/zinc/35/17/86/192351786.db2.gz UBUYKUQFIKPNOP-OAHLLOKOSA-N 1 0 311.429 3.266 50 0 DGAARO COc1ccc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(F)c1 ZINC000090221501 185286976 /nfs/dbraw/zinc/28/69/76/185286976.db2.gz OTXDVGSSXAENNP-YTEVENLXSA-N 1 0 321.417 3.423 50 0 DGAARO CC[C@H]1CN(C(=O)c2ccc3ncccc3c2)CC[N@@H+]1C(C)C ZINC000082107725 192356516 /nfs/dbraw/zinc/35/65/16/192356516.db2.gz ROIJBKYBMIXRSD-KRWDZBQOSA-N 1 0 311.429 3.180 50 0 DGAARO CCC[C@@H]1CN(C(=O)c2ccc(Cl)cc2C)C[C@H]1[NH+](C)C ZINC000082121135 192359915 /nfs/dbraw/zinc/35/99/15/192359915.db2.gz OGMPEBBILMEJSW-CZUORRHYSA-N 1 0 308.853 3.451 50 0 DGAARO O=C(CC[NH+]1CCCCCCC1)N1CCC(C(F)(F)F)CC1 ZINC000063835146 432006577 /nfs/dbraw/zinc/00/65/77/432006577.db2.gz OCHKBFIYGGVRMO-UHFFFAOYSA-N 1 0 320.399 3.444 50 0 DGAARO Cc1cccnc1C[NH+]1CCC(c2nccn2CC2CC2)CC1 ZINC000082139188 192361109 /nfs/dbraw/zinc/36/11/09/192361109.db2.gz IKGBGBDBEHYBDK-UHFFFAOYSA-N 1 0 310.445 3.376 50 0 DGAARO Clc1cccc(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000082133958 192361131 /nfs/dbraw/zinc/36/11/31/192361131.db2.gz BACGHQAIYGVEMT-MRXNPFEDSA-N 1 0 309.837 3.200 50 0 DGAARO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)no1 ZINC000092814329 185343582 /nfs/dbraw/zinc/34/35/82/185343582.db2.gz JNNMTONKCBQBSA-AWEZNQCLSA-N 1 0 310.401 3.314 50 0 DGAARO CC(C)[C@@H]1CN(C(=O)c2ccc3ccccc3c2)C[C@H]1[NH+](C)C ZINC000095392703 185352024 /nfs/dbraw/zinc/35/20/24/185352024.db2.gz AKODMQJASOUDFN-RBUKOAKNSA-N 1 0 310.441 3.498 50 0 DGAARO C[C@@H](CC[C@@H]1CCCO1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000095393606 185352234 /nfs/dbraw/zinc/35/22/34/185352234.db2.gz YPKWTKUVHDVFOP-HOCLYGCPSA-N 1 0 305.418 3.285 50 0 DGAARO Cc1nc(CN2CCC[N@H+](CCc3ccccc3)CC2)cs1 ZINC000097001552 185396101 /nfs/dbraw/zinc/39/61/01/185396101.db2.gz QYUHTMYXUUOWHX-UHFFFAOYSA-N 1 0 315.486 3.202 50 0 DGAARO C[C@H](C(=O)N1CCC[C@@H]1c1ccncc1)[C@@H]([NH3+])c1ccccc1 ZINC000095412762 185358081 /nfs/dbraw/zinc/35/80/81/185358081.db2.gz PBONQIXZHVMNAD-BMGDILEWSA-N 1 0 309.413 3.081 50 0 DGAARO C[C@@H](CCc1ccco1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000095419373 185359962 /nfs/dbraw/zinc/35/99/62/185359962.db2.gz IWSRMWQSEGVTMT-AWEZNQCLSA-N 1 0 316.401 3.088 50 0 DGAARO COc1ccc([C@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000095419746 185360056 /nfs/dbraw/zinc/36/00/56/185360056.db2.gz NXBGJBMPCOUXPW-QZTJIDSGSA-N 1 0 301.361 3.145 50 0 DGAARO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000095419774 185360165 /nfs/dbraw/zinc/36/01/65/185360165.db2.gz SSWKPRPHSRMTRW-INIZCTEOSA-N 1 0 306.413 3.486 50 0 DGAARO COC(=O)N1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000095420828 185360351 /nfs/dbraw/zinc/36/03/51/185360351.db2.gz AYAJCXGTFNIMLW-KGLIPLIRSA-N 1 0 320.433 3.008 50 0 DGAARO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc2c(c1)OCO2 ZINC000095420796 185360374 /nfs/dbraw/zinc/36/03/74/185360374.db2.gz HOZNOCXIEKQDQS-CQSZACIVSA-N 1 0 321.380 3.452 50 0 DGAARO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000095420813 185360379 /nfs/dbraw/zinc/36/03/79/185360379.db2.gz JONKFXLKMJSEGO-SNVBAGLBSA-N 1 0 314.788 3.361 50 0 DGAARO C[C@@H](CCn1cncn1)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000095421061 185360404 /nfs/dbraw/zinc/36/04/04/185360404.db2.gz LAOASOFTEBNNFH-NSHDSACASA-N 1 0 313.232 3.196 50 0 DGAARO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000095410456 185357220 /nfs/dbraw/zinc/35/72/20/185357220.db2.gz ZQBGHHMWLOJLDG-IMJJTQAJSA-N 1 0 319.424 3.073 50 0 DGAARO CSc1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)cc1C ZINC000095427565 185362036 /nfs/dbraw/zinc/36/20/36/185362036.db2.gz ZFIGQUVVIULTJN-UHFFFAOYSA-N 1 0 306.456 3.167 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCSc3ccccc32)C1 ZINC000095423872 185361166 /nfs/dbraw/zinc/36/11/66/185361166.db2.gz QDKINYMPRFGIRF-ZFWWWQNUSA-N 1 0 304.459 3.214 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000095423911 185361215 /nfs/dbraw/zinc/36/12/15/185361215.db2.gz NRKKRGGMOJABBG-PXAZEXFGSA-N 1 0 322.399 3.407 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCSc3ccccc32)C1 ZINC000095423870 185361236 /nfs/dbraw/zinc/36/12/36/185361236.db2.gz QDKINYMPRFGIRF-DZGCQCFKSA-N 1 0 304.459 3.214 50 0 DGAARO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCn1ccnc1C ZINC000095446902 185367910 /nfs/dbraw/zinc/36/79/10/185367910.db2.gz UECFKMGUVHKAJO-GOSISDBHSA-N 1 0 323.444 3.398 50 0 DGAARO CCC(CC)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000095448051 185368163 /nfs/dbraw/zinc/36/81/63/185368163.db2.gz MQLVKOVUNSCXMS-UHFFFAOYSA-N 1 0 304.434 3.018 50 0 DGAARO Cc1noc(C)c1CN1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000097032705 185399525 /nfs/dbraw/zinc/39/95/25/185399525.db2.gz JVRYFXSOKJOWHH-UHFFFAOYSA-N 1 0 305.466 3.235 50 0 DGAARO Cc1ccc([C@H](CC(=O)NCCCC[NH3+])c2ccccc2)cc1 ZINC000063844748 432007607 /nfs/dbraw/zinc/00/76/07/432007607.db2.gz UWBYFITTZCBHHH-LJQANCHMSA-N 1 0 310.441 3.372 50 0 DGAARO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@H](C)C1 ZINC000097108790 185411047 /nfs/dbraw/zinc/41/10/47/185411047.db2.gz YLUDAFQHMHTGRC-CKEIUWERSA-N 1 0 309.475 3.146 50 0 DGAARO Cc1nnc(CCC[N@@H+](C)[C@H]2CCCc3nc(C)sc32)o1 ZINC000121314564 282312833 /nfs/dbraw/zinc/31/28/33/282312833.db2.gz GSOJIBBHODYPJG-ZDUSSCGKSA-N 1 0 306.435 3.085 50 0 DGAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000299740445 530004991 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3.390 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)n1)c1ccsc1 ZINC000036397332 182824895 /nfs/dbraw/zinc/82/48/95/182824895.db2.gz RBGXTFXRZNOGSD-MRXNPFEDSA-N 1 0 317.458 3.264 50 0 DGAARO CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000040150752 183040010 /nfs/dbraw/zinc/04/00/10/183040010.db2.gz CKKKOVPEMHPEMR-KRWDZBQOSA-N 1 0 316.489 3.492 50 0 DGAARO Cc1ccc(C[N@H+](C)CCCc2nnnn2-c2ccccc2)cc1 ZINC000040153465 183040469 /nfs/dbraw/zinc/04/04/69/183040469.db2.gz HVOXPOSHTCCKHH-UHFFFAOYSA-N 1 0 321.428 3.035 50 0 DGAARO Cc1ccc2c(CC(=O)NCC[NH+]3CCCCC3)coc2c1C ZINC000040109014 183037236 /nfs/dbraw/zinc/03/72/36/183037236.db2.gz NCNVCISGVYGQGF-UHFFFAOYSA-N 1 0 314.429 3.194 50 0 DGAARO NC(=O)CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000040477433 183075026 /nfs/dbraw/zinc/07/50/26/183075026.db2.gz BYCPAYNCWXWIQV-UHFFFAOYSA-N 1 0 323.849 3.005 50 0 DGAARO CC[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000041906586 183224491 /nfs/dbraw/zinc/22/44/91/183224491.db2.gz FBINEXCYJKGUCB-SFHVURJKSA-N 1 0 302.462 3.418 50 0 DGAARO Brc1cc(-c2ccccc2)ccc1OC1C[NH2+]C1 ZINC000042769578 183307054 /nfs/dbraw/zinc/30/70/54/183307054.db2.gz PRPHGJIQEUMJEG-UHFFFAOYSA-N 1 0 304.187 3.467 50 0 DGAARO COc1cc(F)ccc1NC(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000044213392 183398586 /nfs/dbraw/zinc/39/85/86/183398586.db2.gz YWYOHDGNCRVYED-ZDUSSCGKSA-N 1 0 323.412 3.078 50 0 DGAARO CC[NH+](CC)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000003205140 284678445 /nfs/dbraw/zinc/67/84/45/284678445.db2.gz DTCMJGIBNCISMP-LJQANCHMSA-N 1 0 313.441 3.495 50 0 DGAARO Cc1noc(C)c1[C@@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000106177719 194189405 /nfs/dbraw/zinc/18/94/05/194189405.db2.gz REHZAXUZVBMPGG-ZIAGYGMSSA-N 1 0 321.465 3.166 50 0 DGAARO CCN(C(=O)c1ccc[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630841 194238944 /nfs/dbraw/zinc/23/89/44/194238944.db2.gz CTGOYQZDOVTMIC-WBVHZDCISA-N 1 0 311.429 3.312 50 0 DGAARO C[C@H]1C[C@H]1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048344941 183648105 /nfs/dbraw/zinc/64/81/05/183648105.db2.gz NETOMWBLWZCCJP-CYJAXWMASA-N 1 0 314.473 3.437 50 0 DGAARO CCCC[C@H](CC)C[NH+]1CCC(n2cc(C(C)(C)O)nn2)CC1 ZINC000055369572 183983103 /nfs/dbraw/zinc/98/31/03/183983103.db2.gz OHOZOCIXUPQRFO-HNNXBMFYSA-N 1 0 322.497 3.359 50 0 DGAARO Cc1cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)no1 ZINC000056345891 184010989 /nfs/dbraw/zinc/01/09/89/184010989.db2.gz ZIHWLGRTHZCQHB-UHFFFAOYSA-N 1 0 320.437 3.103 50 0 DGAARO COc1ccc2c(C[N@H+](C)Cc3ccsc3)cc(=O)oc2c1 ZINC000057395594 184036944 /nfs/dbraw/zinc/03/69/44/184036944.db2.gz APRKQCWGGCCQML-UHFFFAOYSA-N 1 0 315.394 3.495 50 0 DGAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccccn1 ZINC000057996401 184065656 /nfs/dbraw/zinc/06/56/56/184065656.db2.gz QUVQMYNTIYDVLN-UHFFFAOYSA-N 1 0 313.401 3.055 50 0 DGAARO COc1ccc(C[NH+]2CCC(CNC(=O)C(C)(C)C)CC2)cc1 ZINC000058210360 184088577 /nfs/dbraw/zinc/08/85/77/184088577.db2.gz QIYOUKJYHBEPSX-UHFFFAOYSA-N 1 0 318.461 3.070 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1ccc(F)cc1 ZINC000058130784 184079061 /nfs/dbraw/zinc/07/90/61/184079061.db2.gz NEXREXBZBAXWAB-CQSZACIVSA-N 1 0 324.465 3.299 50 0 DGAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCC1 ZINC000058343950 184107105 /nfs/dbraw/zinc/10/71/05/184107105.db2.gz YRPUNRRKEFBWJA-CQSZACIVSA-N 1 0 306.475 3.267 50 0 DGAARO COc1ccccc1-c1ccccc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000058377635 184110001 /nfs/dbraw/zinc/11/00/01/184110001.db2.gz NINMEURMFHMIFI-CQSZACIVSA-N 1 0 312.413 3.042 50 0 DGAARO CC/C=C(/C)C(=O)NC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000058263847 184095539 /nfs/dbraw/zinc/09/55/39/184095539.db2.gz FLPKBACCXZQUHS-CHHVJCJISA-N 1 0 316.445 3.132 50 0 DGAARO CCO[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000058278468 184098489 /nfs/dbraw/zinc/09/84/89/184098489.db2.gz JXTIZJLFCIMKPE-MRXNPFEDSA-N 1 0 318.461 3.104 50 0 DGAARO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000058404166 184113045 /nfs/dbraw/zinc/11/30/45/184113045.db2.gz XYJOEFZHEIGOCO-HNNXBMFYSA-N 1 0 306.406 3.194 50 0 DGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000058416317 184115330 /nfs/dbraw/zinc/11/53/30/184115330.db2.gz FKHBKFJUKFBLIH-OAHLLOKOSA-N 1 0 316.474 3.121 50 0 DGAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/c2ccccc2F)C1 ZINC000058427254 184117353 /nfs/dbraw/zinc/11/73/53/184117353.db2.gz BRRBFZSELIDZRA-AUECHBEKSA-N 1 0 318.436 3.466 50 0 DGAARO CC(C)(C)OCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060061743 184143721 /nfs/dbraw/zinc/14/37/21/184143721.db2.gz JUJIXQQDBYIGAQ-HNNXBMFYSA-N 1 0 305.418 3.410 50 0 DGAARO O=C(Cc1ccc(-c2ccccc2)cc1)NCCC[NH+]1CCCC1 ZINC000061238620 184166706 /nfs/dbraw/zinc/16/67/06/184166706.db2.gz PCWMKNNTPNBZSP-UHFFFAOYSA-N 1 0 322.452 3.498 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000269101009 207239915 /nfs/dbraw/zinc/23/99/15/207239915.db2.gz BRNCRVXMJSWPLS-LLVKDONJSA-N 1 0 306.406 3.112 50 0 DGAARO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCCO3)c2C1 ZINC000062640017 184246304 /nfs/dbraw/zinc/24/63/04/184246304.db2.gz OWCDQLRPFNIXEL-KRWDZBQOSA-N 1 0 302.418 3.166 50 0 DGAARO CCCCN(C)C(=O)c1cc(C)n(CC[NH+]2CCCC2)c1C ZINC000065178107 184313919 /nfs/dbraw/zinc/31/39/19/184313919.db2.gz WTVNWYSFMJZOMV-UHFFFAOYSA-N 1 0 305.466 3.073 50 0 DGAARO CC(C)(C)c1ncc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)s1 ZINC000065274874 184320774 /nfs/dbraw/zinc/32/07/74/184320774.db2.gz QMLMXCHPWTYHFD-LSDHHAIUSA-N 1 0 302.443 3.189 50 0 DGAARO C[N@H+](CCc1ccncc1)Cc1cc(-c2cccc(F)c2)n[nH]1 ZINC000065288521 184323215 /nfs/dbraw/zinc/32/32/15/184323215.db2.gz IBJDMGFKSQTYSG-UHFFFAOYSA-N 1 0 310.376 3.285 50 0 DGAARO CC(=O)N1CCC([N@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC000065370207 184329367 /nfs/dbraw/zinc/32/93/67/184329367.db2.gz XWHOLQXSNYLKDQ-HXUWFJFHSA-N 1 0 314.473 3.297 50 0 DGAARO Cc1ccc([C@H](C)Nc2nc(CC[NH3+])nc3ccccc32)cn1 ZINC000065371856 184329722 /nfs/dbraw/zinc/32/97/22/184329722.db2.gz BHVSAMLEHQUGOL-ZDUSSCGKSA-N 1 0 307.401 3.008 50 0 DGAARO c1coc(C[N@@H+]2CCC[C@@H](c3nnc(Cc4ccccc4)[nH]3)C2)c1 ZINC000065381579 184331744 /nfs/dbraw/zinc/33/17/44/184331744.db2.gz FSLLFJMKQRXOKI-MRXNPFEDSA-N 1 0 322.412 3.368 50 0 DGAARO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2sc(C)nc2C)C[C@H]1O ZINC000065464203 184349563 /nfs/dbraw/zinc/34/95/63/184349563.db2.gz JOLPYAPPZWJYRU-ZIAGYGMSSA-N 1 0 322.499 3.480 50 0 DGAARO CC[C@H](NC(=O)CC1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000065398476 184336595 /nfs/dbraw/zinc/33/65/95/184336595.db2.gz MOQDIWYGJBWARX-INIZCTEOSA-N 1 0 303.450 3.079 50 0 DGAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000065404447 184338122 /nfs/dbraw/zinc/33/81/22/184338122.db2.gz LKBQFSREGZEGEW-HNNXBMFYSA-N 1 0 314.385 3.400 50 0 DGAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(C)ccc1O ZINC000065406091 184338670 /nfs/dbraw/zinc/33/86/70/184338670.db2.gz YRBDDGQXCUQFSE-UHFFFAOYSA-N 1 0 304.434 3.039 50 0 DGAARO Cc1cc(C)c(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)cc1C ZINC000065525720 184359677 /nfs/dbraw/zinc/35/96/77/184359677.db2.gz QQQSKPZJYPPZCA-UHFFFAOYSA-N 1 0 314.473 3.446 50 0 DGAARO c1nc(CN2CCC[C@@H]([NH+]3CCCC3)C2)oc1-c1ccccc1 ZINC000065604250 184371614 /nfs/dbraw/zinc/37/16/14/184371614.db2.gz RECMTFYGWNXKJV-QGZVFWFLSA-N 1 0 311.429 3.402 50 0 DGAARO O=C(N1CC[C@H]1c1cccs1)C1([NH+]2CCCC2)CCCC1 ZINC000065502271 184356145 /nfs/dbraw/zinc/35/61/45/184356145.db2.gz XMKHSBLKKVAZTF-AWEZNQCLSA-N 1 0 304.459 3.430 50 0 DGAARO CN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000065508940 184357481 /nfs/dbraw/zinc/35/74/81/184357481.db2.gz VYRHLCDHJGOUMT-AWEZNQCLSA-N 1 0 308.853 3.420 50 0 DGAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C/c1csc(C)n1 ZINC000069452438 184515971 /nfs/dbraw/zinc/51/59/71/184515971.db2.gz VBJDMXYTDUMRHC-WTNCMQEWSA-N 1 0 309.479 3.091 50 0 DGAARO Cc1sc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1-c1ccc(F)cc1 ZINC000158613329 197287662 /nfs/dbraw/zinc/28/76/62/197287662.db2.gz PUNWYKMVYINIQH-CQSZACIVSA-N 1 0 318.417 3.426 50 0 DGAARO Cc1cc2[nH]c(C[NH2+]C[C@H](CO)c3cccnc3)cc2c(C)c1 ZINC000342308929 253963950 /nfs/dbraw/zinc/96/39/50/253963950.db2.gz SDPIYXOLCCSSBX-MRXNPFEDSA-N 1 0 309.413 3.045 50 0 DGAARO COC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccco1 ZINC000156645747 197130296 /nfs/dbraw/zinc/13/02/96/197130296.db2.gz CHEBQBGUCUUXJQ-KRWDZBQOSA-N 1 0 300.402 3.226 50 0 DGAARO OC1(c2ccccc2)CCC([NH2+]Cc2cn3ccccc3n2)CC1 ZINC000368862925 257236136 /nfs/dbraw/zinc/23/61/36/257236136.db2.gz MIVZRCUAAHZSGY-UHFFFAOYSA-N 1 0 321.424 3.254 50 0 DGAARO Cc1csc(-c2cccc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)c2)n1 ZINC000237497947 257238752 /nfs/dbraw/zinc/23/87/52/257238752.db2.gz XUADCVYPGGTDNS-DOMZBBRYSA-N 1 0 315.442 3.070 50 0 DGAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)sc2cccc(F)c12 ZINC000237501591 257238784 /nfs/dbraw/zinc/23/87/84/257238784.db2.gz AXUAZTCAPVNRMI-KOLCDFICSA-N 1 0 306.406 3.301 50 0 DGAARO CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237015790 257239530 /nfs/dbraw/zinc/23/95/30/257239530.db2.gz WSXDVNRRBRHNPB-UHOBSKSJSA-N 1 0 316.445 3.215 50 0 DGAARO Cc1[nH]ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000075105096 257271219 /nfs/dbraw/zinc/27/12/19/257271219.db2.gz QGJNVDQHOKYHSW-CQSZACIVSA-N 1 0 317.458 3.027 50 0 DGAARO CCc1oc2ccccc2c1C[NH2+]C[C@H]1CCc2nnc(C)n2C1 ZINC000071877336 184883509 /nfs/dbraw/zinc/88/35/09/184883509.db2.gz ZVHDLXZTPDBEPP-CQSZACIVSA-N 1 0 324.428 3.247 50 0 DGAARO Cc1cc2c(cc1C)[C@H]([NH2+]CC[C@H](C)[S@](C)=O)CCCO2 ZINC000090514953 292010069 /nfs/dbraw/zinc/01/00/69/292010069.db2.gz TUEHNUMTURZHKW-CMPZQBNXSA-N 1 0 309.475 3.264 50 0 DGAARO CCc1ccc(CNC(=O)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000033129045 134685849 /nfs/dbraw/zinc/68/58/49/134685849.db2.gz APNRYPZGUDTBJP-UHFFFAOYSA-N 1 0 323.440 3.177 50 0 DGAARO CC(=O)Nc1ccc(C)c(NC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000006216019 400090832 /nfs/dbraw/zinc/09/08/32/400090832.db2.gz HYYITHLPWOOUGY-ZIAGYGMSSA-N 1 0 317.433 3.155 50 0 DGAARO CC(C)[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000091280640 400110677 /nfs/dbraw/zinc/11/06/77/400110677.db2.gz UDWBKVRRRCNTON-DOMZBBRYSA-N 1 0 315.866 3.061 50 0 DGAARO CC[C@@H](NC(=O)N(C)Cc1ncc[nH]1)c1ccc(C)cc1C ZINC000584903573 400124449 /nfs/dbraw/zinc/12/44/49/400124449.db2.gz UJBSJLSPTUPHIX-OAHLLOKOSA-N 1 0 300.406 3.319 50 0 DGAARO Cc1ncc(C[N@@H+]2CCC[C@H](c3cn[nH]c3)C2)n1-c1ccccc1 ZINC000092809816 400204418 /nfs/dbraw/zinc/20/44/18/400204418.db2.gz GEFIMKWAJDHHBM-INIZCTEOSA-N 1 0 321.428 3.283 50 0 DGAARO OC[C@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000096027515 400274383 /nfs/dbraw/zinc/27/43/83/400274383.db2.gz LOPVLYSUSHJOQX-UXHICEINSA-N 1 0 311.425 3.234 50 0 DGAARO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000096027114 400274654 /nfs/dbraw/zinc/27/46/54/400274654.db2.gz JKTYSVSOUOJAQP-LPHOPBHVSA-N 1 0 308.425 3.356 50 0 DGAARO O=C(Nc1ccc(C[NH+]2CCSCC2)cc1)C1=CCCC1 ZINC000097227927 400282839 /nfs/dbraw/zinc/28/28/39/400282839.db2.gz CBOWTGABVYXYLX-UHFFFAOYSA-N 1 0 302.443 3.284 50 0 DGAARO C[C@H]([NH2+]CC1OCCO1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000097232312 400284476 /nfs/dbraw/zinc/28/44/76/400284476.db2.gz OABWVXKKDOVDKE-LBPRGKRZSA-N 1 0 318.348 3.037 50 0 DGAARO CCn1c2ccc(F)cc2nc1C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000070018029 400352432 /nfs/dbraw/zinc/35/24/32/400352432.db2.gz RUMYZRYSMCYEJT-QWHCGFSZSA-N 1 0 315.396 3.131 50 0 DGAARO CCCC[N@H+](C)CC1CCN(C(=O)/C=C/c2nccs2)CC1 ZINC000071903991 400371937 /nfs/dbraw/zinc/37/19/37/400371937.db2.gz ZUAMUYZHXNGFDB-AATRIKPKSA-N 1 0 321.490 3.127 50 0 DGAARO COc1c([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2)c(C)nn1C ZINC000072267609 400375763 /nfs/dbraw/zinc/37/57/63/400375763.db2.gz AXSRHCBKRFZGEI-INIZCTEOSA-N 1 0 315.417 3.083 50 0 DGAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC000072268638 400376689 /nfs/dbraw/zinc/37/66/89/400376689.db2.gz XAXNDIMJIMNTIS-HZPDHXFCSA-N 1 0 306.475 3.156 50 0 DGAARO C[C@@H](C(=O)Nc1cccc(-n2cccn2)c1)[NH+]1CCCCCC1 ZINC000074470867 400514376 /nfs/dbraw/zinc/51/43/76/400514376.db2.gz XWUKAHRJAXZUHY-HNNXBMFYSA-N 1 0 312.417 3.075 50 0 DGAARO COc1ccccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000075119315 400561712 /nfs/dbraw/zinc/56/17/12/400561712.db2.gz PYXKXZPCXCDBKY-UHFFFAOYSA-N 1 0 305.422 3.033 50 0 DGAARO CCC[N@H+](C)C[C@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000078563215 400810301 /nfs/dbraw/zinc/81/03/01/400810301.db2.gz JTDYZJJPLPIRFH-GFCCVEGCSA-N 1 0 301.356 3.269 50 0 DGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000169781479 400761084 /nfs/dbraw/zinc/76/10/84/400761084.db2.gz GAASXWPZPATDBW-QGZVFWFLSA-N 1 0 320.864 3.420 50 0 DGAARO COC1(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CCOCC1 ZINC000188255449 400908044 /nfs/dbraw/zinc/90/80/44/400908044.db2.gz XSFYHRLZONTXIS-MSOLQXFVSA-N 1 0 303.446 3.282 50 0 DGAARO COC1(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CCOCC1 ZINC000188255477 400908055 /nfs/dbraw/zinc/90/80/55/400908055.db2.gz XSFYHRLZONTXIS-QZTJIDSGSA-N 1 0 303.446 3.282 50 0 DGAARO COc1ccccc1/C=C\C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000606444632 400912850 /nfs/dbraw/zinc/91/28/50/400912850.db2.gz QGJTZPHBBDRLOZ-OTIVFRFGSA-N 1 0 305.418 3.231 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1cccc(Cl)c1Cl ZINC000606441902 400913550 /nfs/dbraw/zinc/91/35/50/400913550.db2.gz NPFHHHUMLWIKLU-FNSKHJIESA-N 1 0 313.228 3.345 50 0 DGAARO COC[C@@](C)([NH2+]Cc1ccc(O)c(OC)c1)c1ccccc1 ZINC000194992790 400923276 /nfs/dbraw/zinc/92/32/76/400923276.db2.gz XKZIDWHDMHBMRP-GOSISDBHSA-N 1 0 301.386 3.052 50 0 DGAARO CC[C@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000195549897 400923814 /nfs/dbraw/zinc/92/38/14/400923814.db2.gz IXVSKCSMQYRPDP-DOMZBBRYSA-N 1 0 315.866 3.000 50 0 DGAARO c1cc(C[N@@H+]2CCCC3(C2)OCCO3)cc(-c2ccncc2)c1 ZINC000195563232 400925600 /nfs/dbraw/zinc/92/56/00/400925600.db2.gz TVSBCIGJFORSHC-UHFFFAOYSA-N 1 0 310.397 3.088 50 0 DGAARO C[C@@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000195568609 400926617 /nfs/dbraw/zinc/92/66/17/400926617.db2.gz ZDWGQLAKDFWHBQ-JSGCOSHPSA-N 1 0 321.467 3.360 50 0 DGAARO Cc1cncc(C[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000225500668 400958282 /nfs/dbraw/zinc/95/82/82/400958282.db2.gz BYOKWTASOPUIMS-GOSISDBHSA-N 1 0 300.377 3.227 50 0 DGAARO Cc1nc(SCC[C@@H]2CCC[N@H+]2C)n(C[C@H]2CCCO2)c1C ZINC000252486778 401094746 /nfs/dbraw/zinc/09/47/46/401094746.db2.gz NDZXYZJTJGUAGG-JKSUJKDBSA-N 1 0 323.506 3.255 50 0 DGAARO Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252586746 401096072 /nfs/dbraw/zinc/09/60/72/401096072.db2.gz SFKVFPDMRHAPAT-OIISXLGYSA-N 1 0 324.428 3.040 50 0 DGAARO Cc1cc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3)C2)[nH]n1 ZINC000089599024 401228626 /nfs/dbraw/zinc/22/86/26/401228626.db2.gz YICHVJOOWCYNCY-YOEHRIQHSA-N 1 0 319.836 3.285 50 0 DGAARO COc1cc(C)cc2c1OCC[C@@H]2[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000095983752 286210691 /nfs/dbraw/zinc/21/06/91/286210691.db2.gz ZRISKEDNSVQOIW-IOASZLSFSA-N 1 0 305.418 3.373 50 0 DGAARO Cc1ccc(N2CCC[C@@H]([NH2+]C/C=C\c3ccccc3)C2)nn1 ZINC000229520096 165392609 /nfs/dbraw/zinc/39/26/09/165392609.db2.gz QKWODQBZXBGAJE-JIGZGPPQSA-N 1 0 308.429 3.057 50 0 DGAARO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCC(C)(C)O)CC1 ZINC000081648520 287150286 /nfs/dbraw/zinc/15/02/86/287150286.db2.gz VTWIWGFQCYNCEY-AWEZNQCLSA-N 1 0 310.869 3.180 50 0 DGAARO Cc1ccc([C@H](C[NH2+]Cc2cnn3ccccc23)N2CCCC2)o1 ZINC000171763850 432171018 /nfs/dbraw/zinc/17/10/18/432171018.db2.gz FGRYICQIVBWDIK-SFHVURJKSA-N 1 0 324.428 3.162 50 0 DGAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2cccs2)n1 ZINC000246762745 432162384 /nfs/dbraw/zinc/16/23/84/432162384.db2.gz APCPMVDYDWJSDV-OCCSQVGLSA-N 1 0 303.431 3.072 50 0 DGAARO Cc1ccc([C@@H](C[NH2+]Cc2cnn3ccccc23)N2CCCC2)o1 ZINC000171763847 432169662 /nfs/dbraw/zinc/16/96/62/432169662.db2.gz FGRYICQIVBWDIK-GOSISDBHSA-N 1 0 324.428 3.162 50 0 DGAARO O[C@@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000020218746 262525783 /nfs/dbraw/zinc/52/57/83/262525783.db2.gz VPULMRMPHWSSHF-SFHVURJKSA-N 1 0 316.832 3.196 50 0 DGAARO COc1cccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)c1 ZINC000029482456 274147982 /nfs/dbraw/zinc/14/79/82/274147982.db2.gz VKPVYMWKNYZGGR-SFHVURJKSA-N 1 0 310.397 3.253 50 0 DGAARO OC1CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000090799854 275045198 /nfs/dbraw/zinc/04/51/98/275045198.db2.gz QLIIGKWCMAJNES-PCKAHOCUSA-N 1 0 324.262 3.200 50 0 DGAARO c1nnc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)n1-c1ccccc1 ZINC000225528960 275077853 /nfs/dbraw/zinc/07/78/53/275077853.db2.gz SQAJCMSAQJZVAX-LJQANCHMSA-N 1 0 318.424 3.474 50 0 DGAARO CC(C)c1cccc2c1CCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC000188120789 275752465 /nfs/dbraw/zinc/75/24/65/275752465.db2.gz DBKCQSSLHQFJAY-UHFFFAOYSA-N 1 0 300.446 3.037 50 0 DGAARO CC(=O)c1cc(C(=O)N(C)CCC[NH+]2CCCCCC2)cs1 ZINC000097711676 277103982 /nfs/dbraw/zinc/10/39/82/277103982.db2.gz FPBQMFRENNPCEU-UHFFFAOYSA-N 1 0 322.474 3.289 50 0 DGAARO COc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)ccc1O ZINC000194994076 277820026 /nfs/dbraw/zinc/82/00/26/277820026.db2.gz ZGBLNDPIGZBQBQ-FUHWJXTLSA-N 1 0 313.397 3.411 50 0 DGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccccc1OC ZINC000000526532 277940812 /nfs/dbraw/zinc/94/08/12/277940812.db2.gz UWXBXUJBRJFVHL-GOSISDBHSA-N 1 0 308.381 3.420 50 0 biogenic DGAARO CC(C)c1cccc(C(C)C)c1NC(=O)CNCCC[NH+](C)C ZINC000003339143 278055189 /nfs/dbraw/zinc/05/51/89/278055189.db2.gz UZJDSNHBNFOBPY-UHFFFAOYSA-N 1 0 319.493 3.413 50 0 DGAARO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccc(F)cc2)N1O ZINC000000192007 278183821 /nfs/dbraw/zinc/18/38/21/278183821.db2.gz WFZNDXKOWGWARV-INIZCTEOSA-N 1 0 300.333 3.307 50 0 DGAARO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248768773 278204644 /nfs/dbraw/zinc/20/46/44/278204644.db2.gz XOCGMPVDFONCHQ-FCRVUTKVSA-N 1 0 314.429 3.253 50 0 DGAARO C[C@H](CNC(=O)Nc1cc(F)cc(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000106073797 279339416 /nfs/dbraw/zinc/33/94/16/279339416.db2.gz NDMNDYQINJDEOO-NWDGAFQWSA-N 1 0 311.376 3.349 50 0 DGAARO O=C1CS[C@H](c2ccc(Cl)cc2)N1CC[NH+]1CCCCC1 ZINC000000182327 431141766 /nfs/dbraw/zinc/14/17/66/431141766.db2.gz NSTHRLYHVLODBU-MRXNPFEDSA-N 1 0 324.877 3.400 50 0 DGAARO Cc1ccc(-c2nc3ccccc3c(N3CC[NH+](C)CC3)n2)cc1 ZINC000000307454 431162945 /nfs/dbraw/zinc/16/29/45/431162945.db2.gz WXANLAIUBDHEPI-UHFFFAOYSA-N 1 0 318.424 3.357 50 0 DGAARO COc1ccc(CN2CCC([N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000000317949 431165070 /nfs/dbraw/zinc/16/50/70/431165070.db2.gz MUOYBAMXQLSWDI-INIZCTEOSA-N 1 0 302.462 3.392 50 0 DGAARO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OC ZINC000000351218 431168447 /nfs/dbraw/zinc/16/84/47/431168447.db2.gz IFUYBZODTUOOKR-UHFFFAOYSA-N 1 0 315.369 3.112 50 0 DGAARO O[C@@]1(c2cccs2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000000425750 431180946 /nfs/dbraw/zinc/18/09/46/431180946.db2.gz NCMSWOIXDAJWOR-GOSISDBHSA-N 1 0 313.446 3.398 50 0 DGAARO COc1ccc(-n2ncc3c2ncnc3N2CCC[C@@H](C)C2)cc1 ZINC000000426436 431180999 /nfs/dbraw/zinc/18/09/99/431180999.db2.gz SSUFUHJHQMDHCJ-CYBMUJFWSA-N 1 0 323.400 3.060 50 0 DGAARO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000069452832 431185567 /nfs/dbraw/zinc/18/55/67/431185567.db2.gz FHAZBSNYKFJLEM-INIZCTEOSA-N 1 0 322.412 3.035 50 0 DGAARO c1csc(-c2csc(C[NH2+][C@@H]3CCc4ncnn4C3)c2)c1 ZINC000069510980 431192230 /nfs/dbraw/zinc/19/22/30/431192230.db2.gz IBQSZMOSORCGOT-GFCCVEGCSA-N 1 0 316.455 3.173 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000069512774 431192587 /nfs/dbraw/zinc/19/25/87/431192587.db2.gz MPKNRTYWZPEPOM-QWHCGFSZSA-N 1 0 321.490 3.139 50 0 DGAARO c1nc2n(n1)C[C@H]([NH2+]Cc1cc(-c3ccccc3)cs1)CC2 ZINC000069491547 431193651 /nfs/dbraw/zinc/19/36/51/431193651.db2.gz QYVIFOHDTMKHFZ-OAHLLOKOSA-N 1 0 310.426 3.111 50 0 DGAARO C[NH+](C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000000493992 431194298 /nfs/dbraw/zinc/19/42/98/431194298.db2.gz YKBOWZAAKMELLI-UHFFFAOYSA-N 1 0 322.408 3.408 50 0 DGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000000239243 431149682 /nfs/dbraw/zinc/14/96/82/431149682.db2.gz LFLRPHTYKDQUGX-ZDUSSCGKSA-N 1 0 315.335 3.481 50 0 DGAARO O=C(CC[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000000257385 431157128 /nfs/dbraw/zinc/15/71/28/431157128.db2.gz QEAJTIGPXHWSEY-UHFFFAOYSA-N 1 0 311.223 3.264 50 0 DGAARO COc1ccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000000277005 431160325 /nfs/dbraw/zinc/16/03/25/431160325.db2.gz ZDGVTEPHTNGFBT-UHFFFAOYSA-N 1 0 312.413 3.026 50 0 DGAARO CC(C)(C)OC(=O)N1CCC(CC[NH3+])(c2ccccc2)CC1 ZINC000002541481 431257352 /nfs/dbraw/zinc/25/73/52/431257352.db2.gz ZIBLRKMQYZGFDC-UHFFFAOYSA-N 1 0 304.434 3.304 50 0 DGAARO COc1cc(OC)c(CN2CCCCC2)cc1Br ZINC000000757404 431208430 /nfs/dbraw/zinc/20/84/30/431208430.db2.gz HCQLAVRDIPHRGX-UHFFFAOYSA-N 1 0 314.223 3.452 50 0 DGAARO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069653425 431209507 /nfs/dbraw/zinc/20/95/07/431209507.db2.gz QBRKNQWLMQZDOJ-NJAFHUGGSA-N 1 0 300.446 3.171 50 0 DGAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000001059406 431212728 /nfs/dbraw/zinc/21/27/28/431212728.db2.gz CMQGCYNSXFGVNR-UHFFFAOYSA-N 1 0 324.384 3.014 50 0 DGAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc[nH]1 ZINC000069702918 431213165 /nfs/dbraw/zinc/21/31/65/431213165.db2.gz LKEUDHIJHVAPFJ-UHFFFAOYSA-N 1 0 315.442 3.124 50 0 DGAARO c1csc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)co2)c1 ZINC000069776381 431220677 /nfs/dbraw/zinc/22/06/77/431220677.db2.gz PKLIDQJQNIBRHW-UHFFFAOYSA-N 1 0 303.431 3.073 50 0 DGAARO Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069842560 431226044 /nfs/dbraw/zinc/22/60/44/431226044.db2.gz WOFHPSNYDMPDGV-HXUWFJFHSA-N 1 0 322.452 3.143 50 0 DGAARO CC[NH+](CC)[C@H](C(=O)N(C)Cc1ccccn1)c1ccccc1 ZINC000069845990 431229888 /nfs/dbraw/zinc/22/98/88/431229888.db2.gz UPTXUTPSPIINSU-SFHVURJKSA-N 1 0 311.429 3.123 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000070172478 431241912 /nfs/dbraw/zinc/24/19/12/431241912.db2.gz JNSZDWGUOHDHDI-KOLCDFICSA-N 1 0 301.217 3.193 50 0 DGAARO CCOC(=O)CCC(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000002515538 431253602 /nfs/dbraw/zinc/25/36/02/431253602.db2.gz ZCHIRWCVPHTAFY-UHFFFAOYSA-N 1 0 303.402 3.199 50 0 DGAARO O=C(NCC[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000002512703 431255873 /nfs/dbraw/zinc/25/58/73/431255873.db2.gz ZWOWBKQTRCPDDE-UHFFFAOYSA-N 1 0 300.446 3.101 50 0 DGAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071415792 431280214 /nfs/dbraw/zinc/28/02/14/431280214.db2.gz RCEIFEVKZRYMEV-INIZCTEOSA-N 1 0 320.452 3.339 50 0 DGAARO C[C@H](Sc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000071385376 431280644 /nfs/dbraw/zinc/28/06/44/431280644.db2.gz ZOBUNMCFLQBYDH-AWEZNQCLSA-N 1 0 306.475 3.015 50 0 DGAARO [NH3+]C1(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)CCC1 ZINC000071614862 431283902 /nfs/dbraw/zinc/28/39/02/431283902.db2.gz YPURFZQFUSIFAA-CYBMUJFWSA-N 1 0 322.399 3.017 50 0 DGAARO Cc1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)n1 ZINC000071830796 431294968 /nfs/dbraw/zinc/29/49/68/431294968.db2.gz WZSBNVDKAXHGAG-HLLBOEOZSA-N 1 0 315.461 3.176 50 0 DGAARO CC(C)c1cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)[nH]n1 ZINC000071830788 431296113 /nfs/dbraw/zinc/29/61/13/431296113.db2.gz SFRVXEULJQVQCN-QLFBSQMISA-N 1 0 318.465 3.011 50 0 DGAARO C[C@@](CO)([NH2+]Cc1nc(-c2ccsc2)no1)C1CCCCC1 ZINC000071921061 431317012 /nfs/dbraw/zinc/31/70/12/431317012.db2.gz BJNIXSLMYLCNHP-INIZCTEOSA-N 1 0 321.446 3.219 50 0 DGAARO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1 ZINC000071902533 431309704 /nfs/dbraw/zinc/30/97/04/431309704.db2.gz VKLLJXYBEDFSJL-SFHVURJKSA-N 1 0 317.454 3.472 50 0 DGAARO CSc1ccc(C(=O)NCCc2cccc(C[NH+](C)C)c2)o1 ZINC000071900251 431311158 /nfs/dbraw/zinc/31/11/58/431311158.db2.gz GXEIGBMTZSSYPO-UHFFFAOYSA-N 1 0 318.442 3.036 50 0 DGAARO C[N@@H+]1CCCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000002647263 431262039 /nfs/dbraw/zinc/26/20/39/431262039.db2.gz NHKWXNKTRUHFTM-UHFFFAOYSA-N 1 0 317.380 3.040 50 0 DGAARO C[NH+](C)CCOCCOc1ccc(Br)cc1Cl ZINC000002825418 431272059 /nfs/dbraw/zinc/27/20/59/431272059.db2.gz LHZAZZJUIOXOHC-UHFFFAOYSA-N 1 0 322.630 3.060 50 0 DGAARO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000071134374 431273946 /nfs/dbraw/zinc/27/39/46/431273946.db2.gz NJRGYCDUVGHODP-MRXNPFEDSA-N 1 0 304.434 3.218 50 0 DGAARO C[C@@H](O)C[NH2+]CCCOc1ccccc1OCc1ccccc1 ZINC000002880048 431274316 /nfs/dbraw/zinc/27/43/16/431274316.db2.gz NBQDFMADCOWAAB-MRXNPFEDSA-N 1 0 315.413 3.005 50 0 DGAARO Cc1c(O)ccc2c(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc(=O)oc12 ZINC000006510872 431317843 /nfs/dbraw/zinc/31/78/43/431317843.db2.gz KEKTUWUHTFKGSB-TXEJJXNPSA-N 1 0 301.386 3.285 50 0 DGAARO Cc1[nH]c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2c1C ZINC000007007394 431330810 /nfs/dbraw/zinc/33/08/10/431330810.db2.gz AAQUJGLLJFMZSI-UHFFFAOYSA-N 1 0 313.445 3.391 50 0 DGAARO Cc1ccc(N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)nn1 ZINC000072430577 431334832 /nfs/dbraw/zinc/33/48/32/431334832.db2.gz CBCLTBMMLAKPPZ-SFHVURJKSA-N 1 0 310.445 3.294 50 0 DGAARO Cc1nc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c[nH]1 ZINC000072408634 431336583 /nfs/dbraw/zinc/33/65/83/431336583.db2.gz NLBGSHDSFNDDMS-UHFFFAOYSA-N 1 0 304.357 3.269 50 0 DGAARO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063579 431419732 /nfs/dbraw/zinc/41/97/32/431419732.db2.gz AHBHASVWWQQSFH-UHFFFAOYSA-N 1 0 313.376 3.071 50 0 DGAARO CC(C)(C)[NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000009157787 431424551 /nfs/dbraw/zinc/42/45/51/431424551.db2.gz VOCSHBPGVIJQOX-UHFFFAOYSA-N 1 0 303.450 3.394 50 0 DGAARO CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000008337111 431394728 /nfs/dbraw/zinc/39/47/28/431394728.db2.gz XGUGQCHUSYHETB-QGZVFWFLSA-N 1 0 303.377 3.265 50 0 DGAARO OC1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000008395465 431396877 /nfs/dbraw/zinc/39/68/77/431396877.db2.gz HDAIEEVMYBJBEE-UHFFFAOYSA-N 1 0 321.424 3.419 50 0 DGAARO C[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008498020 431398455 /nfs/dbraw/zinc/39/84/55/431398455.db2.gz BSUNKQKPOXWKQA-ZDUSSCGKSA-N 1 0 305.805 3.389 50 0 DGAARO O=C(N1CCC[C@]2(CC[NH2+]C2)C1)C1(c2ccccc2)CCCC1 ZINC000289273416 279806380 /nfs/dbraw/zinc/80/63/80/279806380.db2.gz PKCPSEJSOUXCIH-LJQANCHMSA-N 1 0 312.457 3.101 50 0 DGAARO Cc1c2cc(F)ccc2oc1C(=O)NCCC[NH+]1CCCCC1 ZINC000009835623 431446977 /nfs/dbraw/zinc/44/69/77/431446977.db2.gz INRYBTGEBIHXRF-UHFFFAOYSA-N 1 0 318.392 3.486 50 0 DGAARO Cc1sc2ncnc(N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2c1C ZINC000075105836 431453903 /nfs/dbraw/zinc/45/39/03/431453903.db2.gz SMXHBZICMASRAO-GXFFZTMASA-N 1 0 304.463 3.085 50 0 DGAARO CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000075107360 431453959 /nfs/dbraw/zinc/45/39/59/431453959.db2.gz VAXSVYPLRGAEBD-HDICACEKSA-N 1 0 300.446 3.157 50 0 DGAARO C[NH+]1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000011662369 431478186 /nfs/dbraw/zinc/47/81/86/431478186.db2.gz NPRVKLOZZPJTJG-UHFFFAOYSA-N 1 0 324.852 3.341 50 0 DGAARO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)NC)cc2)C1 ZINC000076071029 431519796 /nfs/dbraw/zinc/51/97/96/431519796.db2.gz YGJOXARZKXWZHF-HOTGVXAUSA-N 1 0 306.475 3.152 50 0 DGAARO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000012796200 431529293 /nfs/dbraw/zinc/52/92/93/431529293.db2.gz GCXFEDYWJNMCGX-OLZOCXBDSA-N 1 0 302.374 3.356 50 0 DGAARO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000075582090 431484691 /nfs/dbraw/zinc/48/46/91/431484691.db2.gz WPVINJCSSZSCCN-SNVBAGLBSA-N 1 0 322.206 3.341 50 0 DGAARO COc1ccc(CC[NH2+]Cc2ccc(Cl)nc2)cc1OC ZINC000075572234 431485518 /nfs/dbraw/zinc/48/55/18/431485518.db2.gz KEEYCIUPGVSBDL-UHFFFAOYSA-N 1 0 306.793 3.085 50 0 DGAARO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)o1 ZINC000011878908 431485801 /nfs/dbraw/zinc/48/58/01/431485801.db2.gz XWKNPCXYBRUSHQ-IBGZPJMESA-N 1 0 316.445 3.067 50 0 DGAARO Cc1c([C@H](C)[NH2+]CC(C)(C)CO)cnn1-c1ccc(F)cc1F ZINC000012072832 431490618 /nfs/dbraw/zinc/49/06/18/431490618.db2.gz ZFXWHLFDPPFYQU-NSHDSACASA-N 1 0 323.387 3.128 50 0 DGAARO O=C1CC[N@@H+](C[C@@H]2CC=CCC2)CCN1Cc1cccc(F)c1 ZINC000012212547 431498288 /nfs/dbraw/zinc/49/82/88/431498288.db2.gz YKQYWGPFOLFSRX-MRXNPFEDSA-N 1 0 316.420 3.216 50 0 DGAARO CC[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1 ZINC000012316045 431501857 /nfs/dbraw/zinc/50/18/57/431501857.db2.gz OLXUDNMTQMCGBO-UHFFFAOYSA-N 1 0 315.442 3.481 50 0 DGAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)cc2c1C ZINC000012914730 431536447 /nfs/dbraw/zinc/53/64/47/431536447.db2.gz FEUKFDSXMPFZOP-KRWDZBQOSA-N 1 0 301.434 3.101 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000012979881 431541878 /nfs/dbraw/zinc/54/18/78/431541878.db2.gz NJIPPAAMJUIVMO-IBGZPJMESA-N 1 0 321.424 3.130 50 0 DGAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1c(F)cccc1Cl ZINC000040286032 280305256 /nfs/dbraw/zinc/30/52/56/280305256.db2.gz POYCKBAKVBLREV-WBVHZDCISA-N 1 0 316.763 3.404 50 0 DGAARO CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000117664798 431574723 /nfs/dbraw/zinc/57/47/23/431574723.db2.gz ARALPKQLLZCBRX-GOSISDBHSA-N 1 0 323.440 3.347 50 0 DGAARO O=C(c1ccc(Cl)cc1)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000014632234 431593002 /nfs/dbraw/zinc/59/30/02/431593002.db2.gz KOFXPJYSNZZLHH-INIZCTEOSA-N 1 0 301.773 3.312 50 0 DGAARO CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000015072911 431600135 /nfs/dbraw/zinc/60/01/35/431600135.db2.gz CKSOAJOLTISZJZ-MRXNPFEDSA-N 1 0 322.880 3.463 50 0 DGAARO C[C@H](C1CCC1)[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000015007741 431600614 /nfs/dbraw/zinc/60/06/14/431600614.db2.gz HOPOGBHKAAIEQK-CQSZACIVSA-N 1 0 304.409 3.049 50 0 DGAARO Cc1oc(C)c(C(=O)NCc2ccccc2C[NH+](C)C)c1C ZINC000025395428 431653311 /nfs/dbraw/zinc/65/33/11/431653311.db2.gz WGFFTBGGFMFIAJ-UHFFFAOYSA-N 1 0 300.402 3.196 50 0 DGAARO Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(C)c1 ZINC000020218756 431621503 /nfs/dbraw/zinc/62/15/03/431621503.db2.gz BAKDCTRFZZTLJI-FQEVSTJZSA-N 1 0 310.441 3.159 50 0 DGAARO c1[nH]c(-c2ccccc2)nc1CN1CC[NH+](CC2CCCC2)CC1 ZINC000020167545 431622882 /nfs/dbraw/zinc/62/28/82/431622882.db2.gz JMBPERDXNLVHTF-UHFFFAOYSA-N 1 0 324.472 3.385 50 0 DGAARO COc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000021170666 431630702 /nfs/dbraw/zinc/63/07/02/431630702.db2.gz JUXILUAZVNEEPW-INIZCTEOSA-N 1 0 316.445 3.176 50 0 DGAARO c1cc(-c2cccc(-c3cccc(N4CC[NH2+]CC4)c3)c2)n[nH]1 ZINC000023398672 431635306 /nfs/dbraw/zinc/63/53/06/431635306.db2.gz DALVLUCFELTWRM-UHFFFAOYSA-N 1 0 304.397 3.153 50 0 DGAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000078553214 431682271 /nfs/dbraw/zinc/68/22/71/431682271.db2.gz MQKWIOJPAVACPS-ZDUSSCGKSA-N 1 0 309.417 3.073 50 0 DGAARO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000078553586 431683626 /nfs/dbraw/zinc/68/36/26/431683626.db2.gz UQYJMTHRJCCCHW-MRXNPFEDSA-N 1 0 300.427 3.143 50 0 DGAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)n1)c1ccccc1 ZINC000027088066 431684161 /nfs/dbraw/zinc/68/41/61/431684161.db2.gz RWCCCULBVYQCCD-GOSISDBHSA-N 1 0 311.429 3.203 50 0 DGAARO CCC(CC)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000027747126 431695363 /nfs/dbraw/zinc/69/53/63/431695363.db2.gz CJNQDUUKUXFEEZ-GOSISDBHSA-N 1 0 318.461 3.385 50 0 DGAARO Cc1c(C)n(C[C@H](O)C[NH2+]Cc2ccco2)c2ccc(C)cc12 ZINC000028297071 431704197 /nfs/dbraw/zinc/70/41/97/431704197.db2.gz IVBSGDHIIAXBHH-MRXNPFEDSA-N 1 0 312.413 3.310 50 0 DGAARO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000025720604 431663179 /nfs/dbraw/zinc/66/31/79/431663179.db2.gz CYALLXGDCLYXEE-HNNXBMFYSA-N 1 0 318.442 3.180 50 0 DGAARO Cc1ccc(CC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1C ZINC000032845467 431795095 /nfs/dbraw/zinc/79/50/95/431795095.db2.gz MRLTVKCPIHWENU-UHFFFAOYSA-N 1 0 324.468 3.484 50 0 DGAARO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000032836292 431795204 /nfs/dbraw/zinc/79/52/04/431795204.db2.gz BBXPWQLHIJWHMC-GFCCVEGCSA-N 1 0 317.360 3.472 50 0 DGAARO Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911502 431798216 /nfs/dbraw/zinc/79/82/16/431798216.db2.gz LUFXDMVPMQNUDZ-SFHVURJKSA-N 1 0 308.425 3.389 50 0 DGAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000032911514 431799196 /nfs/dbraw/zinc/79/91/96/431799196.db2.gz SVNMXUCAGGKOLK-MRXNPFEDSA-N 1 0 312.388 3.220 50 0 DGAARO Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032912076 431799596 /nfs/dbraw/zinc/79/95/96/431799596.db2.gz LJFFNYFYZPQURZ-FQEVSTJZSA-N 1 0 322.452 3.318 50 0 DGAARO C[NH+](C)CCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000032999471 431804576 /nfs/dbraw/zinc/80/45/76/431804576.db2.gz HNXBADFPDOCWKL-UHFFFAOYSA-N 1 0 308.853 3.220 50 0 DGAARO O=C1C[C@H]([NH+]2CCCCCC2)C(=O)N1c1cccc2ccccc21 ZINC000033291200 431812159 /nfs/dbraw/zinc/81/21/59/431812159.db2.gz XZGDXKWJMZQFNV-SFHVURJKSA-N 1 0 322.408 3.348 50 0 DGAARO CCC[NH+]1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000033696075 431814116 /nfs/dbraw/zinc/81/41/16/431814116.db2.gz QREVGWMZAQJXJQ-UHFFFAOYSA-N 1 0 300.446 3.053 50 0 DGAARO Cc1nc(-c2ccccc2Cl)sc1C(=O)NCC[NH+](C)C ZINC000031867895 431768409 /nfs/dbraw/zinc/76/84/09/431768409.db2.gz LSKQONPEIDWOAR-UHFFFAOYSA-N 1 0 323.849 3.063 50 0 DGAARO Cc1cc2c(ncn(CC[C@H]3CCCC[N@H+]3C(C)C)c2=O)s1 ZINC000032561712 431781112 /nfs/dbraw/zinc/78/11/12/431781112.db2.gz WUMXYEQLDMHBMM-CQSZACIVSA-N 1 0 319.474 3.419 50 0 DGAARO [NH3+][C@@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 ZINC000037806386 431850550 /nfs/dbraw/zinc/85/05/50/431850550.db2.gz QMBSFYFUSGCJQA-INIZCTEOSA-N 1 0 300.427 3.329 50 0 DGAARO CCOC(=O)N1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000089153729 431860621 /nfs/dbraw/zinc/86/06/21/431860621.db2.gz XPDJYFXWBKJJAK-WBVHZDCISA-N 1 0 302.418 3.001 50 0 DGAARO Cc1cc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)s1 ZINC000089582350 431870180 /nfs/dbraw/zinc/87/01/80/431870180.db2.gz NXLSNWPXICPBOX-UKRRQHHQSA-N 1 0 321.490 3.306 50 0 DGAARO C[N@H+](CCc1ccccn1)Cc1cn2cc(Cl)ccc2n1 ZINC000123642774 431870886 /nfs/dbraw/zinc/87/08/86/431870886.db2.gz JDHQQUZZMKPUBR-UHFFFAOYSA-N 1 0 300.793 3.057 50 0 DGAARO CC[NH+]1CCN(Cc2cncc(-c3cccc(F)c3F)c2)CC1 ZINC000034669411 431819005 /nfs/dbraw/zinc/81/90/05/431819005.db2.gz GDBYSLGBPRYZGJ-UHFFFAOYSA-N 1 0 317.383 3.164 50 0 DGAARO CCc1ccc(-c2cncc(CN3CC[NH+](CC)CC3)c2)cc1 ZINC000034669470 431819257 /nfs/dbraw/zinc/81/92/57/431819257.db2.gz OQCCYHBQMGCIFO-UHFFFAOYSA-N 1 0 309.457 3.449 50 0 DGAARO Cc1cc(C)c(C)c(OCCCCCCN2CC[NH2+]CC2)c1 ZINC000034854518 431819394 /nfs/dbraw/zinc/81/93/94/431819394.db2.gz MMRSYMOKZIPURU-UHFFFAOYSA-N 1 0 304.478 3.456 50 0 DGAARO COc1ccccc1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036102856 431834975 /nfs/dbraw/zinc/83/49/75/431834975.db2.gz ZCXBNTQXYZXMCC-INIZCTEOSA-N 1 0 309.450 3.082 50 0 DGAARO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)s1 ZINC000092020046 431907990 /nfs/dbraw/zinc/90/79/90/431907990.db2.gz KQXKFYXIIAJBLA-GOSISDBHSA-N 1 0 318.486 3.281 50 0 DGAARO CCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000047675964 431914165 /nfs/dbraw/zinc/91/41/65/431914165.db2.gz KVCVMJDYRURWQR-OAHLLOKOSA-N 1 0 303.450 3.128 50 0 DGAARO COc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000047827930 431916666 /nfs/dbraw/zinc/91/66/66/431916666.db2.gz NZIPTBFNGOBCHR-ZDUSSCGKSA-N 1 0 310.397 3.431 50 0 DGAARO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000095349196 431921822 /nfs/dbraw/zinc/92/18/22/431921822.db2.gz GCMFNTCLLHNYMD-SNVBAGLBSA-N 1 0 302.205 3.161 50 0 DGAARO CC[NH2+]Cc1ccccc1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000095349173 431921882 /nfs/dbraw/zinc/92/18/82/431921882.db2.gz RCSUNRMLNOBDKO-UHFFFAOYSA-N 1 0 308.303 3.466 50 0 DGAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000095368693 431922844 /nfs/dbraw/zinc/92/28/44/431922844.db2.gz MYSLJSNSTIZKMI-HNNXBMFYSA-N 1 0 321.490 3.317 50 0 DGAARO Fc1cccc(COc2ccccc2-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000095361918 431923063 /nfs/dbraw/zinc/92/30/63/431923063.db2.gz MUNFZQJUEGMVIG-UHFFFAOYSA-N 1 0 323.371 3.441 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccc(Cl)cc2)C1 ZINC000048310110 431923188 /nfs/dbraw/zinc/92/31/88/431923188.db2.gz RHMODXZERBDYFM-GJZGRUSLSA-N 1 0 322.880 3.367 50 0 DGAARO CCCCSc1nc(NCCc2cscn2)cc(N)[nH+]1 ZINC000095351967 431923284 /nfs/dbraw/zinc/92/32/84/431923284.db2.gz ASGPBJSRYGBROF-UHFFFAOYSA-N 1 0 309.464 3.062 50 0 DGAARO C[C@@H](CCc1ncnn1Cc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000095365870 431923333 /nfs/dbraw/zinc/92/33/33/431923333.db2.gz MSDBHZZQRLQTRZ-AWEZNQCLSA-N 1 0 318.852 3.397 50 0 DGAARO CC[NH+]1CCC(CC(=O)N2CC[C@@H]2c2cccc(OC)c2)CC1 ZINC000095375145 431923740 /nfs/dbraw/zinc/92/37/40/431923740.db2.gz NKICJDQCDOICKL-GOSISDBHSA-N 1 0 316.445 3.091 50 0 DGAARO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)NCc1cccs1 ZINC000095386444 431923794 /nfs/dbraw/zinc/92/37/94/431923794.db2.gz IODLFWHOLDKLHN-INIZCTEOSA-N 1 0 314.454 3.244 50 0 DGAARO Clc1ccc2cccnc2c1C[NH+]1CCC2(CC1)OCCO2 ZINC000048367238 431924803 /nfs/dbraw/zinc/92/48/03/431924803.db2.gz ASKHUDDWTRLGHF-UHFFFAOYSA-N 1 0 318.804 3.227 50 0 DGAARO COCCOc1ccc(C[NH2+][C@H]2CCCc3sccc32)cn1 ZINC000095420415 431924861 /nfs/dbraw/zinc/92/48/61/431924861.db2.gz AQYOWQSDXNGWSZ-HNNXBMFYSA-N 1 0 318.442 3.336 50 0 DGAARO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000095422663 431925272 /nfs/dbraw/zinc/92/52/72/431925272.db2.gz QBKSLCXODDZQMT-RTBURBONSA-N 1 0 313.397 3.014 50 0 DGAARO COc1ccccc1[C@@H](CNc1nc2ccccc2n1C)[NH+](C)C ZINC000089749743 431877145 /nfs/dbraw/zinc/87/71/45/431877145.db2.gz KMBUKEFIUOSCCZ-QGZVFWFLSA-N 1 0 324.428 3.297 50 0 DGAARO Cn1cc(CCC[NH2+]Cc2ccc(Cl)c3cccnc23)cn1 ZINC000089755643 431877217 /nfs/dbraw/zinc/87/72/17/431877217.db2.gz VDXVGWIBUXZNRQ-UHFFFAOYSA-N 1 0 314.820 3.344 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000044985810 431880141 /nfs/dbraw/zinc/88/01/41/431880141.db2.gz PYJWDMOHHKHXFT-UHFFFAOYSA-N 1 0 314.882 3.323 50 0 DGAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCc3occc32)C1 ZINC000089870059 431883403 /nfs/dbraw/zinc/88/34/03/431883403.db2.gz WMUVOEYLTGTTGR-GDBMZVCRSA-N 1 0 319.449 3.077 50 0 DGAARO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(Br)s1 ZINC000089905013 431884839 /nfs/dbraw/zinc/88/48/39/431884839.db2.gz CYXKQWOIWRDECS-SNVBAGLBSA-N 1 0 314.252 3.448 50 0 DGAARO CCCOc1cccc(CC[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000090577548 431892797 /nfs/dbraw/zinc/89/27/97/431892797.db2.gz ZYMSACBWSHKCBZ-SFHVURJKSA-N 1 0 313.445 3.419 50 0 DGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3ccccc3o2)C1 ZINC000046959556 431903673 /nfs/dbraw/zinc/90/36/73/431903673.db2.gz AGEGWXXFAIZFOW-CQSZACIVSA-N 1 0 300.402 3.285 50 0 DGAARO COc1cccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000047038478 431904611 /nfs/dbraw/zinc/90/46/11/431904611.db2.gz RQZRQDRWGILPMV-HOTGVXAUSA-N 1 0 318.461 3.183 50 0 DGAARO Cc1n[nH]c(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1Cl ZINC000097681770 431972982 /nfs/dbraw/zinc/97/29/82/431972982.db2.gz AMLCGODLJKRDSG-UHFFFAOYSA-N 1 0 306.841 3.065 50 0 DGAARO COc1ccc(F)c(F)c1-c1nc(C)nn1-c1cc[nH+]c(C)c1 ZINC000097743252 431974375 /nfs/dbraw/zinc/97/43/75/431974375.db2.gz RFSKTFDWRLKLKU-UHFFFAOYSA-N 1 0 316.311 3.233 50 0 DGAARO CNC(=O)c1cccc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000097772997 431975131 /nfs/dbraw/zinc/97/51/31/431975131.db2.gz QXLNPUAUJFUSMF-CQSZACIVSA-N 1 0 309.413 3.265 50 0 DGAARO CC[NH+]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000055082784 431976272 /nfs/dbraw/zinc/97/62/72/431976272.db2.gz TYGMSZFTGLDWQR-VOTSOKGWSA-N 1 0 313.228 3.171 50 0 DGAARO Cc1nonc1[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C)c(CO)c1C ZINC000055073601 431976307 /nfs/dbraw/zinc/97/63/07/431976307.db2.gz GCPHHWMJTOMQST-KRWDZBQOSA-N 1 0 315.417 3.133 50 0 DGAARO Cc1ccsc1C[N@@H+](Cc1ccccn1)C[C@@H]1CCOC1 ZINC000055119274 431977331 /nfs/dbraw/zinc/97/73/31/431977331.db2.gz FTGOMFJKPWPBNJ-HNNXBMFYSA-N 1 0 302.443 3.490 50 0 DGAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cccc3nsnc32)c1 ZINC000055243909 431978275 /nfs/dbraw/zinc/97/82/75/431978275.db2.gz JXPLUEHVHASPQC-ZDUSSCGKSA-N 1 0 312.442 3.458 50 0 DGAARO CC[C@H](C)[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1cccnc1 ZINC000055307878 431979453 /nfs/dbraw/zinc/97/94/53/431979453.db2.gz UFKOHLCHJBKDCP-INIZCTEOSA-N 1 0 321.428 3.463 50 0 DGAARO Cc1ccc(OC[C@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000055283320 431979648 /nfs/dbraw/zinc/97/96/48/431979648.db2.gz RTZKVEDJCVJQIN-INIZCTEOSA-N 1 0 315.413 3.371 50 0 DGAARO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000095941455 431926959 /nfs/dbraw/zinc/92/69/59/431926959.db2.gz RGFHILVGWUHJLI-KGLIPLIRSA-N 1 0 308.447 3.232 50 0 DGAARO C[C@H](c1ccccc1F)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000095948903 431928313 /nfs/dbraw/zinc/92/83/13/431928313.db2.gz OLCVQVOTJKQMCV-CQSZACIVSA-N 1 0 314.408 3.278 50 0 DGAARO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000095961371 431928567 /nfs/dbraw/zinc/92/85/67/431928567.db2.gz QOFVXUYZARLGQV-CHWSQXEVSA-N 1 0 319.836 3.358 50 0 DGAARO CCN(Cc1cccs1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000095965552 431928873 /nfs/dbraw/zinc/92/88/73/431928873.db2.gz UMTRBIKZTWMGPA-CJNGLKHVSA-N 1 0 302.443 3.433 50 0 DGAARO Fc1cccc(CCC[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000095967861 431928975 /nfs/dbraw/zinc/92/89/75/431928975.db2.gz JKIRWCJBYSGZCM-UHFFFAOYSA-N 1 0 313.420 3.412 50 0 DGAARO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000095967511 431929142 /nfs/dbraw/zinc/92/91/42/431929142.db2.gz IXFBHKAVRNKNLE-WDEREUQCSA-N 1 0 307.467 3.080 50 0 DGAARO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)[C@@H]1CCOC1 ZINC000095961929 431929482 /nfs/dbraw/zinc/92/94/82/431929482.db2.gz PMYVMJIWPJCPOW-GXSJLCMTSA-N 1 0 302.187 3.103 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1F ZINC000095968112 431929806 /nfs/dbraw/zinc/92/98/06/431929806.db2.gz PMYRZIPWMLDMFS-GIPWTMENSA-N 1 0 301.427 3.032 50 0 DGAARO CCOc1cccc(C[NH2+][C@@H]2CCSC2)c1OC(F)F ZINC000095969250 431929874 /nfs/dbraw/zinc/92/98/74/431929874.db2.gz NXNCTSQRYMSQCV-LLVKDONJSA-N 1 0 303.374 3.282 50 0 DGAARO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000095968809 431930132 /nfs/dbraw/zinc/93/01/32/431930132.db2.gz WXRKGLUVLDENIU-GJZGRUSLSA-N 1 0 311.429 3.266 50 0 DGAARO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1nc2ccccc2n1C ZINC000095978164 431930693 /nfs/dbraw/zinc/93/06/93/431930693.db2.gz MMTMZEVHAJUWKP-KSSFIOAISA-N 1 0 309.413 3.175 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000048711613 431931424 /nfs/dbraw/zinc/93/14/24/431931424.db2.gz SHKHZRITUIWJRK-UHFFFAOYSA-N 1 0 323.444 3.078 50 0 DGAARO Cc1ncccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000095988578 431932448 /nfs/dbraw/zinc/93/24/48/431932448.db2.gz SDARCUPRKCHXFG-SJORKVTESA-N 1 0 304.340 3.288 50 0 DGAARO CC(C)[C@H](O)C1(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000095989213 431933090 /nfs/dbraw/zinc/93/30/90/431933090.db2.gz SDLIGAWRQJWJJB-KRWDZBQOSA-N 1 0 303.446 3.287 50 0 DGAARO CN(Cc1cccnc1)[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000095995924 431933544 /nfs/dbraw/zinc/93/35/44/431933544.db2.gz ZFAOMZBZBKFGOQ-BGYRXZFFSA-N 1 0 324.472 3.352 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000049077226 431936516 /nfs/dbraw/zinc/93/65/16/431936516.db2.gz HPZXUVXJTBXJRA-UHFFFAOYSA-N 1 0 310.388 3.159 50 0 DGAARO CC[C@@H]1CN(c2nc3ccccc3cc2CO)CC[N@@H+]1C(C)C ZINC000096132769 431939672 /nfs/dbraw/zinc/93/96/72/431939672.db2.gz XPPLWICUBLXTLY-QGZVFWFLSA-N 1 0 313.445 3.036 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2cccc3cnccc32)C1 ZINC000096135660 431940069 /nfs/dbraw/zinc/94/00/69/431940069.db2.gz DFZJMIHICJWSKC-CQSZACIVSA-N 1 0 324.428 3.325 50 0 DGAARO COc1ccc(-c2nc3c([nH]2)C[N@@H+]([C@@H](C)CSC)CC3)cc1 ZINC000096147879 431940364 /nfs/dbraw/zinc/94/03/64/431940364.db2.gz FBZMTLKNTOFEDL-LBPRGKRZSA-N 1 0 317.458 3.195 50 0 DGAARO Cc1occc1-c1nnc(SCC[C@H]2CCCC[N@@H+]2C)n1C ZINC000049710814 431942333 /nfs/dbraw/zinc/94/23/33/431942333.db2.gz NECYQURKSMFPRY-CYBMUJFWSA-N 1 0 320.462 3.350 50 0 DGAARO Cc1ccccc1C[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000096402786 431945210 /nfs/dbraw/zinc/94/52/10/431945210.db2.gz KMLBFEZWBBGBMM-UHFFFAOYSA-N 1 0 309.457 3.187 50 0 DGAARO Cn1c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)nc2ccccc21 ZINC000096447539 431950581 /nfs/dbraw/zinc/95/05/81/431950581.db2.gz CJTQCXZRSJKVRQ-APWZRJJASA-N 1 0 307.397 3.193 50 0 DGAARO CCc1csc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000096452249 431950749 /nfs/dbraw/zinc/95/07/49/431950749.db2.gz OBMKRYYRVCJFOF-UHFFFAOYSA-N 1 0 322.478 3.234 50 0 DGAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1cccc(F)c1F ZINC000096461112 431951839 /nfs/dbraw/zinc/95/18/39/431951839.db2.gz GKAKYJQWAFWDTI-UHFFFAOYSA-N 1 0 304.340 3.256 50 0 DGAARO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000096479018 431953087 /nfs/dbraw/zinc/95/30/87/431953087.db2.gz LEMPSHJCHZIEQG-BONVTDFDSA-N 1 0 314.520 3.268 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C12CCCC2 ZINC000096478807 431953236 /nfs/dbraw/zinc/95/32/36/431953236.db2.gz IIBLMRUVCYLOCR-HUUCEWRRSA-N 1 0 316.436 3.043 50 0 DGAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000096476537 431953315 /nfs/dbraw/zinc/95/33/15/431953315.db2.gz NXUZUQOZHLISES-SUMWQHHRSA-N 1 0 311.385 3.158 50 0 DGAARO CCS[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccncc2)C1 ZINC000096494383 431954673 /nfs/dbraw/zinc/95/46/73/431954673.db2.gz IOQDONBRAXOLRI-CVEARBPZSA-N 1 0 316.474 3.246 50 0 DGAARO NC(=O)N1CCC([NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000097034526 431956029 /nfs/dbraw/zinc/95/60/29/431956029.db2.gz PGCJKLKGRJJNQR-KRWDZBQOSA-N 1 0 301.434 3.051 50 0 DGAARO CN(Cc1nc2c(s1)CCC2)[C@H](CCO)c1ccccc1 ZINC000097033951 431956161 /nfs/dbraw/zinc/95/61/61/431956161.db2.gz UJTBFEOULKNYLX-OAHLLOKOSA-N 1 0 302.443 3.187 50 0 DGAARO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)s1 ZINC000052556361 431956327 /nfs/dbraw/zinc/95/63/27/431956327.db2.gz HSPYBSBIOQXGMA-INIZCTEOSA-N 1 0 302.443 3.398 50 0 DGAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000097037312 431957102 /nfs/dbraw/zinc/95/71/02/431957102.db2.gz RUEKHWQGCSDBRM-CPUCHLNUSA-N 1 0 312.417 3.410 50 0 DGAARO CC(C)[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000052875873 431958776 /nfs/dbraw/zinc/95/87/76/431958776.db2.gz KHWACLUPQZSBOA-QGZVFWFLSA-N 1 0 320.433 3.433 50 0 DGAARO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1C(=O)NC(C)C ZINC000097050977 431958939 /nfs/dbraw/zinc/95/89/39/431958939.db2.gz SQIPHGIMHYJRKT-ZBFHGGJFSA-N 1 0 315.461 3.170 50 0 DGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@@H]1C ZINC000097080731 431959380 /nfs/dbraw/zinc/95/93/80/431959380.db2.gz PDVMMRMQRQRNPA-CPUCHLNUSA-N 1 0 309.475 3.146 50 0 DGAARO Fc1cc(F)cc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000097082125 431959403 /nfs/dbraw/zinc/95/94/03/431959403.db2.gz KEKZFULVOZCUOP-UHFFFAOYSA-N 1 0 303.356 3.436 50 0 DGAARO COCCOC[C@H]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000097085973 431960031 /nfs/dbraw/zinc/96/00/31/431960031.db2.gz POQYNAHPHGLEEG-INIZCTEOSA-N 1 0 314.429 3.341 50 0 DGAARO c1sc(CC[NH2+][C@@H]2CCCSC2)nc1-c1ccccn1 ZINC000097084614 431960073 /nfs/dbraw/zinc/96/00/73/431960073.db2.gz RAGZXDIEWWBCJW-GFCCVEGCSA-N 1 0 305.472 3.233 50 0 DGAARO C[C@H](C[NH+]1CCC(C(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103869 431960919 /nfs/dbraw/zinc/96/09/19/431960919.db2.gz XLOAUFWTEJAVBU-CYBMUJFWSA-N 1 0 308.853 3.244 50 0 DGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000053391592 431963259 /nfs/dbraw/zinc/96/32/59/431963259.db2.gz IWAYGWSXIDXAFT-AWEZNQCLSA-N 1 0 313.445 3.408 50 0 DGAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000097159316 431963303 /nfs/dbraw/zinc/96/33/03/431963303.db2.gz AUVXLGZRLZYOIB-UHFFFAOYSA-N 1 0 300.406 3.033 50 0 DGAARO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000097165322 431964623 /nfs/dbraw/zinc/96/46/23/431964623.db2.gz SWOKTBWSRCGLKJ-UHFFFAOYSA-N 1 0 312.413 3.325 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 ZINC000097234808 431966356 /nfs/dbraw/zinc/96/63/56/431966356.db2.gz KERVYLVYOCMPNI-BDAKNGLRSA-N 1 0 314.501 3.339 50 0 DGAARO Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c2cccnc12 ZINC000054104449 431967409 /nfs/dbraw/zinc/96/74/09/431967409.db2.gz JGIYPOIEJZBYNH-UHFFFAOYSA-N 1 0 319.408 3.263 50 0 DGAARO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000097371300 431967504 /nfs/dbraw/zinc/96/75/04/431967504.db2.gz FYIHINSFRYPNKM-CZUORRHYSA-N 1 0 302.397 3.112 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)NCCC1CCCC1)c1ccccc1 ZINC000097337208 431968093 /nfs/dbraw/zinc/96/80/93/431968093.db2.gz JLQAYIKDZJDZIO-QGZVFWFLSA-N 1 0 303.450 3.169 50 0 DGAARO C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000054173467 431968701 /nfs/dbraw/zinc/96/87/01/431968701.db2.gz QKJKYNRNGVESIN-SFHVURJKSA-N 1 0 319.408 3.085 50 0 DGAARO CC[N@@H+](Cc1c(C)cc(C)c(CO)c1C)CC1CCOCC1 ZINC000055413530 431981985 /nfs/dbraw/zinc/98/19/85/431981985.db2.gz LBRYRZXYYQQSLJ-UHFFFAOYSA-N 1 0 305.462 3.353 50 0 DGAARO CCC[N@H+](Cc1cccn1-c1ncccn1)Cc1cccnc1 ZINC000055575293 431984094 /nfs/dbraw/zinc/98/40/94/431984094.db2.gz ILYSIWCRVDVKHT-UHFFFAOYSA-N 1 0 307.401 3.075 50 0 DGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1 ZINC000005525342 281128065 /nfs/dbraw/zinc/12/80/65/281128065.db2.gz OVDAQVIEYIDYQE-MJGOQNOKSA-N 1 0 306.409 3.443 50 0 DGAARO c1sc2ccccc2c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000057327725 431991261 /nfs/dbraw/zinc/99/12/61/431991261.db2.gz UWNMVCZMPAQBOV-UHFFFAOYSA-N 1 0 310.426 3.014 50 0 DGAARO CCc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1F ZINC000102317084 431993118 /nfs/dbraw/zinc/99/31/18/431993118.db2.gz GSGCIFOTMVGGPJ-UHFFFAOYSA-N 1 0 317.408 3.256 50 0 DGAARO CC(C)(C)n1cc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)nn1 ZINC000191605183 432282096 /nfs/dbraw/zinc/28/20/96/432282096.db2.gz YDLAYDGQPBHDEI-WBVHZDCISA-N 1 0 314.433 3.043 50 0 DGAARO CCC[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000057909412 431994628 /nfs/dbraw/zinc/99/46/28/431994628.db2.gz VPBRHUYYQNRLHC-CQSZACIVSA-N 1 0 319.474 3.467 50 0 DGAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000102441439 431994939 /nfs/dbraw/zinc/99/49/39/431994939.db2.gz VHIMRJCZYKVBSI-PHZGNYQRSA-N 1 0 317.864 3.369 50 0 DGAARO Cc1cc(C)c([C@H](C)[NH+]2CCN(c3ncccn3)CC2)c(C)c1 ZINC000057984988 431994995 /nfs/dbraw/zinc/99/49/95/431994995.db2.gz AMCXOGHJPLBHMS-KRWDZBQOSA-N 1 0 310.445 3.285 50 0 DGAARO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000248873892 432324975 /nfs/dbraw/zinc/32/49/75/432324975.db2.gz IRTOUADZCVOCCZ-IAOVAPTHSA-N 1 0 315.417 3.334 50 0 DGAARO CCC(CC)(CCO)C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000192443969 432374910 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432755322 /nfs/dbraw/zinc/75/53/22/432755322.db2.gz OAKSZXGGEKHLMB-GFCCVEGCSA-N 1 0 322.836 3.082 50 0 DGAARO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000276029532 432767576 /nfs/dbraw/zinc/76/75/76/432767576.db2.gz DTQLMAUJCCXQBV-UHFFFAOYSA-N 1 0 324.350 3.160 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000241371374 432815950 /nfs/dbraw/zinc/81/59/50/432815950.db2.gz MNASTBWLNFVINY-VBHSOAQHSA-N 1 0 304.409 3.050 50 0 DGAARO C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C[C@H]1n1ccnc1 ZINC000241316868 432816075 /nfs/dbraw/zinc/81/60/75/432816075.db2.gz LVQBNVFFONXJJH-XKQJLSEDSA-N 1 0 319.836 3.153 50 0 DGAARO CC[C@@H](C(=O)Nc1ccccc1)[N@H+](C)CCc1scnc1C ZINC000243892748 432819483 /nfs/dbraw/zinc/81/94/83/432819483.db2.gz AKNBSEYKCXGFRD-HNNXBMFYSA-N 1 0 317.458 3.343 50 0 DGAARO Cc1cc(NC(=O)C[N@H+](C)CC[C@@H]2CCCCO2)ccc1Cl ZINC000243901180 432820229 /nfs/dbraw/zinc/82/02/29/432820229.db2.gz AZDVZDXWWNGDER-HNNXBMFYSA-N 1 0 324.852 3.478 50 0 DGAARO Cc1ccc(CNC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)c2cccnc12 ZINC000244678854 432822156 /nfs/dbraw/zinc/82/21/56/432822156.db2.gz ILKSKUWCXKBNPO-WBVHZDCISA-N 1 0 323.440 3.034 50 0 DGAARO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(F)(F)CC1 ZINC000244633120 432822843 /nfs/dbraw/zinc/82/28/43/432822843.db2.gz FWZTZGBWALJERA-MRXNPFEDSA-N 1 0 322.399 3.299 50 0 DGAARO Cc1cc(NC(=O)CN(C)C[C@@H]2CCCC[N@@H+]2C)ccc1Cl ZINC000244887881 432823283 /nfs/dbraw/zinc/82/32/83/432823283.db2.gz YQBQLFGDRGSLRC-HNNXBMFYSA-N 1 0 323.868 3.003 50 0 DGAARO CCc1ccc(C[N@H+](C)CCOc2ccc(C)cc2OC)nc1 ZINC000244874200 432823329 /nfs/dbraw/zinc/82/33/29/432823329.db2.gz WWHKTXUOINRXTB-UHFFFAOYSA-N 1 0 314.429 3.472 50 0 DGAARO CC(C)SCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244795661 432823522 /nfs/dbraw/zinc/82/35/22/432823522.db2.gz RLGFMLIZVNAULL-KRWDZBQOSA-N 1 0 320.502 3.299 50 0 DGAARO Cc1nc(CC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cs1 ZINC000244873410 432823911 /nfs/dbraw/zinc/82/39/11/432823911.db2.gz WPYSAAPWHHKSMU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/94/49/10/432944910.db2.gz VQOMDCXYXQFWRH-IBGZPJMESA-N 1 0 314.473 3.347 50 0 DGAARO C[C@@H](c1cccnc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280465781 433053940 /nfs/dbraw/zinc/05/39/40/433053940.db2.gz OQZJXRZWAFQTJY-FFZOFVMBSA-N 1 0 307.441 3.206 50 0 DGAARO CC(C)OCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299794044 433388148 /nfs/dbraw/zinc/38/81/48/433388148.db2.gz HZKRWWFYEUAISN-MRXNPFEDSA-N 1 0 324.852 3.018 50 0 DGAARO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000375270147 433403981 /nfs/dbraw/zinc/40/39/81/433403981.db2.gz UIRDNPCFCDPWRE-INIZCTEOSA-N 1 0 315.392 3.362 50 0 DGAARO CC[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)[C@@H]1C[C@@H]1C ZINC000414162560 433434258 /nfs/dbraw/zinc/43/42/58/433434258.db2.gz MCDUCHJFIGFHJU-ABFRBSLYSA-N 1 0 304.434 3.021 50 0 DGAARO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC(N)=O)CC1 ZINC000069518651 290223684 /nfs/dbraw/zinc/22/36/84/290223684.db2.gz SUXAXPVCYOOIRO-LLVKDONJSA-N 1 0 314.351 3.354 50 0 DGAARO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccsc1 ZINC000293802068 433875612 /nfs/dbraw/zinc/87/56/12/433875612.db2.gz VCYSHEHQWFDQDQ-CQSZACIVSA-N 1 0 302.443 3.436 50 0 DGAARO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC23CCCC3)cc1 ZINC000293847514 433896338 /nfs/dbraw/zinc/89/63/38/433896338.db2.gz TZFALLHWQFVVES-MRXNPFEDSA-N 1 0 307.459 3.293 50 0 DGAARO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000377563425 433914723 /nfs/dbraw/zinc/91/47/23/433914723.db2.gz MATOSUMRFXJGIM-RHSMWYFYSA-N 1 0 324.424 3.219 50 0 DGAARO CCOCC[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285869861 434091122 /nfs/dbraw/zinc/09/11/22/434091122.db2.gz YWDBCLCSNDCRGM-GOSISDBHSA-N 1 0 300.402 3.000 50 0 DGAARO Cc1occc1C(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000073311148 294049451 /nfs/dbraw/zinc/04/94/51/294049451.db2.gz LYNLYEYYVFRLQW-WMZOPIPTSA-N 1 0 310.397 3.345 50 0 DGAARO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCCCC3)C1 ZINC000129186306 294678388 /nfs/dbraw/zinc/67/83/88/294678388.db2.gz 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C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ccn1)c1cccnc1 ZINC000095408671 185356649 /nfs/dbraw/zinc/35/66/49/185356649.db2.gz NLWDQRAMJGTJLP-ZDUSSCGKSA-N 1 0 310.323 3.210 50 0 DGAARO c1ccc2c(c1)OCC[C@@H]2C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000095412241 185357833 /nfs/dbraw/zinc/35/78/33/185357833.db2.gz UAEFOSUNYMLHEX-QGZVFWFLSA-N 1 0 323.440 3.338 50 0 DGAARO C[C@@H](NC1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000095419517 185359696 /nfs/dbraw/zinc/35/96/96/185359696.db2.gz KXXHGIJZLUENBY-SNVBAGLBSA-N 1 0 315.230 3.333 50 0 DGAARO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000095420501 185360144 /nfs/dbraw/zinc/36/01/44/185360144.db2.gz WNNDRCJAHWBGGP-TZMCWYRMSA-N 1 0 318.358 3.231 50 0 DGAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000095419707 185360197 /nfs/dbraw/zinc/36/01/97/185360197.db2.gz LGZFDBZYHMOCNY-SFHVURJKSA-N 1 0 300.450 3.351 50 0 DGAARO O[C@H](C[NH+]1C[C@H]2CC=CC[C@@H]2C1)c1cccc(Br)c1 ZINC000097002813 185396415 /nfs/dbraw/zinc/39/64/15/185396415.db2.gz 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1 0 312.413 3.271 50 0 DGAARO Cc1cc(N2CCC3(CC(=O)N(CC(C)C)C3)CC2)cc(C)[nH+]1 ZINC000091860018 193119371 /nfs/dbraw/zinc/11/93/71/193119371.db2.gz ZHIXTTNSTZSDMU-UHFFFAOYSA-N 1 0 315.461 3.173 50 0 DGAARO [NH3+]C1(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000092061592 193149567 /nfs/dbraw/zinc/14/95/67/193149567.db2.gz ZWHVEXGVOCSORF-UHFFFAOYSA-N 1 0 320.436 3.086 50 0 DGAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC000215236367 201454491 /nfs/dbraw/zinc/45/44/91/201454491.db2.gz RIJKMYRDNGUUMX-HNNXBMFYSA-N 1 0 310.397 3.189 50 0 DGAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]CC[C@@H]3CCCCO3)[nH]c12 ZINC000092080506 193155520 /nfs/dbraw/zinc/15/55/20/193155520.db2.gz AEPWDSZOGAUYTB-INIZCTEOSA-N 1 0 314.429 3.194 50 0 DGAARO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1SC ZINC000222082114 201600221 /nfs/dbraw/zinc/60/02/21/201600221.db2.gz OYXDFGHDLHNMTM-CABCVRRESA-N 1 0 306.475 3.086 50 0 DGAARO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000106216771 284043914 /nfs/dbraw/zinc/04/39/14/284043914.db2.gz JGWREDICEDDJMT-OAHLLOKOSA-N 1 0 317.408 3.301 50 0 DGAARO CC[N@H+](C)C[C@@H]1CCN(Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093770227 193303265 /nfs/dbraw/zinc/30/32/65/193303265.db2.gz ZZSYEVOHQYFTQX-HNNXBMFYSA-N 1 0 302.462 3.174 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(C)o2)cc1F ZINC000095423190 193443538 /nfs/dbraw/zinc/44/35/38/193443538.db2.gz BHDWSRDIUFGQGF-SJKOYZFVSA-N 1 0 307.365 3.294 50 0 DGAARO [NH3+]CCCCCC(=O)OCc1cccc(Br)c1 ZINC000095918078 193449671 /nfs/dbraw/zinc/44/96/71/193449671.db2.gz NHWLTPDBLHRLHX-UHFFFAOYSA-N 1 0 300.196 3.011 50 0 DGAARO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)[C@@H]1CCOC1 ZINC000095961930 193460782 /nfs/dbraw/zinc/46/07/82/193460782.db2.gz PMYVMJIWPJCPOW-MWLCHTKSSA-N 1 0 302.187 3.103 50 0 DGAARO CS[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000095961916 193460870 /nfs/dbraw/zinc/46/08/70/193460870.db2.gz IGAVZSWEJVOTJB-GJZGRUSLSA-N 1 0 312.523 3.287 50 0 DGAARO C[C@@H](c1ccc(-c2ccc(CO)cc2CO)cc1)[NH+]1CCCC1 ZINC000096162005 193558226 /nfs/dbraw/zinc/55/82/26/193558226.db2.gz AVWAJTFIPDPIHL-HNNXBMFYSA-N 1 0 311.425 3.495 50 0 DGAARO CC/C=C(\C)C(=O)NC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000096309344 193612614 /nfs/dbraw/zinc/61/26/14/193612614.db2.gz FLPKBACCXZQUHS-VIZOYTHASA-N 1 0 316.445 3.132 50 0 DGAARO Cc1ccc(OC[C@H](O)C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000008326812 181548855 /nfs/dbraw/zinc/54/88/55/181548855.db2.gz PSGHBNOSEPQIOV-ORPJZTTNSA-N 1 0 315.457 3.149 50 0 DGAARO C[NH+](C)CCCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000009305710 181612565 /nfs/dbraw/zinc/61/25/65/181612565.db2.gz VHKPTJMZZADNEG-UHFFFAOYSA-N 1 0 323.396 3.176 50 0 DGAARO CC(C)[NH+](CCSc1ccc(NC(=O)C2CC2)nn1)C(C)C ZINC000013702018 181881430 /nfs/dbraw/zinc/88/14/30/181881430.db2.gz WAGKXPFJCLLXJF-UHFFFAOYSA-N 1 0 322.478 3.036 50 0 DGAARO Cc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2cccs2)C1 ZINC000015962232 182026705 /nfs/dbraw/zinc/02/67/05/182026705.db2.gz SCHHEGRCDHMWSB-GOSISDBHSA-N 1 0 313.446 3.317 50 0 DGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1n[nH]c2ccccc21 ZINC000019720490 182138240 /nfs/dbraw/zinc/13/82/40/182138240.db2.gz YHISBWJSWIZMFS-UHFFFAOYSA-N 1 0 320.396 3.411 50 0 DGAARO [NH3+]CCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000019734111 182139847 /nfs/dbraw/zinc/13/98/47/182139847.db2.gz DMQUFESDVWOLRE-UHFFFAOYSA-N 1 0 315.804 3.270 50 0 DGAARO COc1ccc(-c2ccc(C[NH2+]CCN(C)C)o2)cc1Cl ZINC000019582947 182132567 /nfs/dbraw/zinc/13/25/67/182132567.db2.gz OGYLOHRPIHGIHO-UHFFFAOYSA-N 1 0 308.809 3.260 50 0 DGAARO OCC1CC[NH+]([C@H]2CCCN(Cc3cccc(Cl)c3)C2)CC1 ZINC000019740827 182142019 /nfs/dbraw/zinc/14/20/19/182142019.db2.gz DIHVKOGQDNMIBT-SFHVURJKSA-N 1 0 322.880 3.009 50 0 DGAARO COc1ccccc1CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000019781745 182147609 /nfs/dbraw/zinc/14/76/09/182147609.db2.gz MQGPFFSSGWHDDC-UHFFFAOYSA-N 1 0 310.441 3.321 50 0 biogenic DGAARO c1ccc(CCCC[N@@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000020119709 182189366 /nfs/dbraw/zinc/18/93/66/182189366.db2.gz PYOCNFGXTGFJFB-UHFFFAOYSA-N 1 0 310.445 3.012 50 0 DGAARO COCCC1CC[NH+](C[C@H](C)n2cnc3ccccc32)CC1 ZINC000020149614 182192533 /nfs/dbraw/zinc/19/25/33/182192533.db2.gz ABODVZSZJPZCMW-HNNXBMFYSA-N 1 0 301.434 3.346 50 0 DGAARO O=C(c1nccc2ccccc21)N1CC[NH+](CC2CCCC2)CC1 ZINC000020149507 182192598 /nfs/dbraw/zinc/19/25/98/182192598.db2.gz NTKMUAGVAWNBCH-UHFFFAOYSA-N 1 0 323.440 3.183 50 0 DGAARO COc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000020248660 182200161 /nfs/dbraw/zinc/20/01/61/182200161.db2.gz CBGGTJGADYKOMY-UHFFFAOYSA-N 1 0 324.468 3.446 50 0 DGAARO Fc1ccccc1-c1ccc(C[NH2+][C@@H]2CN3CCC2CC3)o1 ZINC000020477271 182221578 /nfs/dbraw/zinc/22/15/78/182221578.db2.gz NJNSIHPVUQIWHR-QGZVFWFLSA-N 1 0 300.377 3.270 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000493416065 245971678 /nfs/dbraw/zinc/97/16/78/245971678.db2.gz HFZFMMSZQZWKNF-WVPKPSDHSA-N 1 0 312.335 3.057 50 0 DGAARO CSc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000020564005 182232385 /nfs/dbraw/zinc/23/23/85/182232385.db2.gz WTVZWFMXUMPQMR-CQSZACIVSA-N 1 0 305.447 3.111 50 0 DGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1csc(C(C)=O)c1)C2 ZINC000020534505 182227816 /nfs/dbraw/zinc/22/78/16/182227816.db2.gz PFSLARCMJQOGSA-AWEZNQCLSA-N 1 0 317.410 3.053 50 0 DGAARO Fc1ccc(C[C@H]2C[N@@H+](C3Cc4ccccc4C3)CCO2)cc1 ZINC000020598370 182236352 /nfs/dbraw/zinc/23/63/52/182236352.db2.gz FTQBXWKQEBLEJZ-FQEVSTJZSA-N 1 0 311.400 3.236 50 0 DGAARO Cc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)o1 ZINC000020779352 182246819 /nfs/dbraw/zinc/24/68/19/182246819.db2.gz DYPAOPUVNKFZLV-SFHVURJKSA-N 1 0 320.477 3.037 50 0 DGAARO OCCC[NH2+]Cc1cccc(-c2cccc(-c3cc[nH]n3)c2)c1 ZINC000020820884 182247919 /nfs/dbraw/zinc/24/79/19/182247919.db2.gz BKCKUDNMMJPICM-UHFFFAOYSA-N 1 0 307.397 3.216 50 0 DGAARO Fc1ccc(OCCN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020819987 182248189 /nfs/dbraw/zinc/24/81/89/182248189.db2.gz SETPJCBVOQANIX-UHFFFAOYSA-N 1 0 306.425 3.155 50 0 DGAARO CCc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)o1 ZINC000020997415 182258059 /nfs/dbraw/zinc/25/80/59/182258059.db2.gz OAHVEOBOZDEOQB-UHFFFAOYSA-N 1 0 322.412 3.159 50 0 DGAARO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000021175298 182268195 /nfs/dbraw/zinc/26/81/95/182268195.db2.gz ZXUYUDOIIBWYPY-OAHLLOKOSA-N 1 0 301.434 3.381 50 0 DGAARO Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)no1 ZINC000021835789 182294217 /nfs/dbraw/zinc/29/42/17/182294217.db2.gz AGBYJSJTRGZXFO-GFCCVEGCSA-N 1 0 320.418 3.003 50 0 DGAARO O[C@@H](C[NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000022029974 182305520 /nfs/dbraw/zinc/30/55/20/182305520.db2.gz QKQLDJIRSWQZPF-MSOLQXFVSA-N 1 0 314.429 3.130 50 0 DGAARO C[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000022090492 182308717 /nfs/dbraw/zinc/30/87/17/182308717.db2.gz GZBOKZTXZSDMNS-LLVKDONJSA-N 1 0 313.788 3.427 50 0 DGAARO COc1ccc([C@H](CNC(=O)c2sccc2C)[NH+](C)C)cc1 ZINC000022414226 182321098 /nfs/dbraw/zinc/32/10/98/182321098.db2.gz UPFSSJQFYGTSKQ-HNNXBMFYSA-N 1 0 318.442 3.098 50 0 DGAARO C[NH2+]CCOc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000022170683 182312001 /nfs/dbraw/zinc/31/20/01/182312001.db2.gz XLPQOSMJOFATOG-UHFFFAOYSA-N 1 0 305.381 3.409 50 0 DGAARO CCOc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000022687748 182330351 /nfs/dbraw/zinc/33/03/51/182330351.db2.gz BSIJEKKWWNHYFB-CQSZACIVSA-N 1 0 318.442 3.180 50 0 DGAARO C[N@@H+]1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000022452621 182322496 /nfs/dbraw/zinc/32/24/96/182322496.db2.gz PJFIRVKLWWWLTE-UHFFFAOYSA-N 1 0 310.441 3.403 50 0 DGAARO OCC1CCN([C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000022852403 182337892 /nfs/dbraw/zinc/33/78/92/182337892.db2.gz XUWVHAUVVJWNBY-LJQANCHMSA-N 1 0 308.510 3.126 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCCC1)c1cccc(OC)c1 ZINC000023182509 182352981 /nfs/dbraw/zinc/35/29/81/182352981.db2.gz VEUBQXBLCRAEQQ-SFHVURJKSA-N 1 0 318.461 3.385 50 0 DGAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000023016912 182345048 /nfs/dbraw/zinc/34/50/48/182345048.db2.gz VLYWSRGBWAGWOP-UHFFFAOYSA-N 1 0 320.483 3.452 50 0 DGAARO c1[nH]c2ccccc2c1C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000023363472 182358299 /nfs/dbraw/zinc/35/82/99/182358299.db2.gz IDIXRJMDVPQZIV-SFHVURJKSA-N 1 0 305.425 3.184 50 0 DGAARO COc1ccc(CC[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000024001921 182371946 /nfs/dbraw/zinc/37/19/46/182371946.db2.gz SGPXUVJZUJLKIG-UHFFFAOYSA-N 1 0 313.426 3.479 50 0 DGAARO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)sc1C ZINC000025420074 182414042 /nfs/dbraw/zinc/41/40/42/182414042.db2.gz CQQCRRXNPIQQDR-OAHLLOKOSA-N 1 0 302.443 3.398 50 0 DGAARO CCCOc1ccccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027579728 182481222 /nfs/dbraw/zinc/48/12/22/182481222.db2.gz SKGQZLVLNQNTAE-UHFFFAOYSA-N 1 0 318.461 3.470 50 0 DGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C2CCCC2)c2ccc(C)cc12 ZINC000028297055 182519626 /nfs/dbraw/zinc/51/96/26/182519626.db2.gz BTCPRWRCAYLSNL-KRWDZBQOSA-N 1 0 300.446 3.460 50 0 DGAARO Clc1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000038580892 183003483 /nfs/dbraw/zinc/00/34/83/183003483.db2.gz QJWUPAMIDAFNGD-UHFFFAOYSA-N 1 0 304.615 3.481 50 0 DGAARO c1cc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)cs1 ZINC000039362752 183017389 /nfs/dbraw/zinc/01/73/89/183017389.db2.gz HOOWFVRDJYVOMX-SFHVURJKSA-N 1 0 312.482 3.470 50 0 DGAARO Cc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)o1 ZINC000039400602 183018468 /nfs/dbraw/zinc/01/84/68/183018468.db2.gz DYPAOPUVNKFZLV-GOSISDBHSA-N 1 0 320.477 3.037 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000040073575 183031484 /nfs/dbraw/zinc/03/14/84/183031484.db2.gz MUBONCCURPTRQU-MRXNPFEDSA-N 1 0 316.445 3.222 50 0 DGAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)/C=C/c2ccccc2)C1 ZINC000040108162 183036010 /nfs/dbraw/zinc/03/60/10/183036010.db2.gz NNVJUKVKNOTNSW-FMQWLBJXSA-N 1 0 300.446 3.328 50 0 DGAARO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000042202997 183241636 /nfs/dbraw/zinc/24/16/36/183241636.db2.gz GJGWFWJXJYXODJ-LBPRGKRZSA-N 1 0 315.369 3.283 50 0 DGAARO Fc1cc(Br)ccc1OCCC1CC[NH2+]CC1 ZINC000042773592 183306913 /nfs/dbraw/zinc/30/69/13/183306913.db2.gz PIDOYQDQSOHBAO-UHFFFAOYSA-N 1 0 302.187 3.357 50 0 DGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccccn1 ZINC000043231360 183345902 /nfs/dbraw/zinc/34/59/02/183345902.db2.gz NKPHZMLGRNOKQE-CYBMUJFWSA-N 1 0 316.430 3.102 50 0 DGAARO C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104620423 194021616 /nfs/dbraw/zinc/02/16/16/194021616.db2.gz VLZHKZHVGVXWQY-MGPQQGTHSA-N 1 0 308.853 3.323 50 0 DGAARO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H](C)C2)c1 ZINC000105882660 194155964 /nfs/dbraw/zinc/15/59/64/194155964.db2.gz KMGUQQLQUFMAFZ-YJBOKZPZSA-N 1 0 316.445 3.091 50 0 DGAARO Cc1ccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1F ZINC000106410129 194209692 /nfs/dbraw/zinc/20/96/92/194209692.db2.gz LCJYLOSMGRERNY-CYBMUJFWSA-N 1 0 304.331 3.108 50 0 DGAARO CCNC(=O)c1ccc(C[NH2+]Cc2cccc(OCC)c2)cc1 ZINC000048713250 183682051 /nfs/dbraw/zinc/68/20/51/183682051.db2.gz ADVDLGBSSBITEM-UHFFFAOYSA-N 1 0 312.413 3.125 50 0 DGAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000106744690 194249251 /nfs/dbraw/zinc/24/92/51/194249251.db2.gz JMBFJQPPFXDILQ-HZSPNIEDSA-N 1 0 308.853 3.323 50 0 DGAARO O=C(C=C1CCCCC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000055992597 184002766 /nfs/dbraw/zinc/00/27/66/184002766.db2.gz IIEQSJUSAHBWSP-UHFFFAOYSA-N 1 0 312.457 3.442 50 0 DGAARO CCSCc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000056057573 184004029 /nfs/dbraw/zinc/00/40/29/184004029.db2.gz AWWMJJOVLKTYST-UHFFFAOYSA-N 1 0 306.475 3.106 50 0 DGAARO Cc1cc(C)c(C[NH2+]CCS(=O)(=O)c2ccccc2)c(C)c1 ZINC000058007857 184066641 /nfs/dbraw/zinc/06/66/41/184066641.db2.gz RNVTUWSJMUWMEO-UHFFFAOYSA-N 1 0 317.454 3.175 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccncc3)C2)CC1 ZINC000058174425 184084192 /nfs/dbraw/zinc/08/41/92/184084192.db2.gz MVNNHEWKABFNIB-MRXNPFEDSA-N 1 0 316.449 3.057 50 0 DGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CSc1ccc(F)cc1 ZINC000058130794 184078955 /nfs/dbraw/zinc/07/89/55/184078955.db2.gz NEXREXBZBAXWAB-AWEZNQCLSA-N 1 0 324.465 3.299 50 0 DGAARO CCOc1ccc(NC(=O)C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000058162323 184082584 /nfs/dbraw/zinc/08/25/84/184082584.db2.gz AHTPZXNMAIRRRS-UHFFFAOYSA-N 1 0 318.804 3.467 50 0 DGAARO CC/C=C(/C)C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000058277646 184098126 /nfs/dbraw/zinc/09/81/26/184098126.db2.gz YXIXLSKKMJWDJJ-UUASQNMZSA-N 1 0 316.445 3.132 50 0 DGAARO O=C(Cc1cccs1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058290858 184100996 /nfs/dbraw/zinc/10/09/96/184100996.db2.gz VCPRNJSXORJFSS-UHFFFAOYSA-N 1 0 320.502 3.452 50 0 DGAARO COc1c(C[NH2+]Cc2cc3ccccc3s2)c(C)nn1C ZINC000058296314 184102534 /nfs/dbraw/zinc/10/25/34/184102534.db2.gz FJXWOIAUZKMLGI-UHFFFAOYSA-N 1 0 301.415 3.242 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cccc1F)c1ccco1 ZINC000058316638 184104548 /nfs/dbraw/zinc/10/45/48/184104548.db2.gz RUZGWBGNHFARKF-AWEZNQCLSA-N 1 0 322.355 3.371 50 0 DGAARO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)c1 ZINC000058332152 184106922 /nfs/dbraw/zinc/10/69/22/184106922.db2.gz ZSDPQGCGOFONIW-OLZOCXBDSA-N 1 0 317.389 3.060 50 0 DGAARO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000058404165 184113080 /nfs/dbraw/zinc/11/30/80/184113080.db2.gz XYJOEFZHEIGOCO-OAHLLOKOSA-N 1 0 306.406 3.194 50 0 DGAARO FC(F)(F)c1cccc(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000060296477 184146324 /nfs/dbraw/zinc/14/63/24/184146324.db2.gz NRMNUVNZGFCMPF-UHFFFAOYSA-N 1 0 310.323 3.134 50 0 DGAARO CC(C)c1ccc([C@@H](O)C[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000061040889 184160114 /nfs/dbraw/zinc/16/01/14/184160114.db2.gz ABKOMGPAADSUBV-IBGZPJMESA-N 1 0 302.462 3.014 50 0 DGAARO O=C(c1cc(Cl)ccc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062976604 184264142 /nfs/dbraw/zinc/26/41/42/184264142.db2.gz METKBJNGLYVYKJ-CYBMUJFWSA-N 1 0 310.800 3.180 50 0 DGAARO c1cc(C[N@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)co1 ZINC000065287781 184322660 /nfs/dbraw/zinc/32/26/60/184322660.db2.gz RJNJABSRLVJECP-SFHVURJKSA-N 1 0 322.412 3.299 50 0 DGAARO CCc1ccc(C[N@@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)nc1 ZINC000065370771 184329398 /nfs/dbraw/zinc/32/93/98/184329398.db2.gz SYRACOHJUJRXOS-IAGOWNOFSA-N 1 0 316.470 3.364 50 0 DGAARO C[NH+]1CCC(N(C/C=C/c2ccco2)Cc2ccncc2)CC1 ZINC000065374157 184330350 /nfs/dbraw/zinc/33/03/50/184330350.db2.gz JYTZCXLAKMQISF-DUXPYHPUSA-N 1 0 311.429 3.284 50 0 DGAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]CC1(c2ccccc2)CC1 ZINC000065463337 184349286 /nfs/dbraw/zinc/34/92/86/184349286.db2.gz YHORWIPMKSRQAM-UHFFFAOYSA-N 1 0 304.397 3.293 50 0 DGAARO C[C@@H](CC(C)(C)O)[NH2+]CCc1nc(-c2ccccc2)cs1 ZINC000065462995 184349765 /nfs/dbraw/zinc/34/97/65/184349765.db2.gz DWWULUJEGQKMFL-ZDUSSCGKSA-N 1 0 304.459 3.492 50 0 DGAARO Cc1ccccc1NC(=O)CC[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000065468176 184350561 /nfs/dbraw/zinc/35/05/61/184350561.db2.gz XTEXDSLZBRUKEE-QGZVFWFLSA-N 1 0 324.424 3.259 50 0 DGAARO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065554772 184366309 /nfs/dbraw/zinc/36/63/09/184366309.db2.gz LNAMWOCMAYGDHR-AWEZNQCLSA-N 1 0 317.820 3.132 50 0 DGAARO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC000069348027 184507989 /nfs/dbraw/zinc/50/79/89/184507989.db2.gz YHSWINKKEOYAAY-GOSISDBHSA-N 1 0 302.462 3.343 50 0 DGAARO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000119676021 195014292 /nfs/dbraw/zinc/01/42/92/195014292.db2.gz FNOOLMCVHZFTPG-UHFFFAOYSA-N 1 0 324.428 3.176 50 0 DGAARO C[C@@H]([NH2+]Cc1cscc1Br)[C@@H]1CCCOC1 ZINC000336780336 253000784 /nfs/dbraw/zinc/00/07/84/253000784.db2.gz QZXPIXSMYKUTHR-NXEZZACHSA-N 1 0 304.253 3.415 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000158989154 197317285 /nfs/dbraw/zinc/31/72/85/197317285.db2.gz QETQNNILQVEDOQ-GOSISDBHSA-N 1 0 322.452 3.349 50 0 DGAARO CCc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000339046584 253396833 /nfs/dbraw/zinc/39/68/33/253396833.db2.gz BHWVNALEPWHINP-FQEVSTJZSA-N 1 0 309.457 3.350 50 0 DGAARO C[C@@H](CC(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000158498846 197278791 /nfs/dbraw/zinc/27/87/91/197278791.db2.gz BOTRDZWTWSNDMO-RYUDHWBXSA-N 1 0 314.351 3.149 50 0 DGAARO CCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000255592017 285167277 /nfs/dbraw/zinc/16/72/77/285167277.db2.gz AOTRFWLVBJWADI-CKXPSTMWSA-N 1 0 312.413 3.076 50 0 DGAARO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157082201 197160847 /nfs/dbraw/zinc/16/08/47/197160847.db2.gz MJIDOPGSCFHDMD-CYBMUJFWSA-N 1 0 319.449 3.058 50 0 DGAARO Cc1cc(CCCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000156585278 197125360 /nfs/dbraw/zinc/12/53/60/197125360.db2.gz KOMFGYGWPLYDQL-CZUORRHYSA-N 1 0 308.491 3.273 50 0 DGAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000108373349 285275119 /nfs/dbraw/zinc/27/51/19/285275119.db2.gz ZXMOQZQELRBDMB-NZVBXONLSA-N 1 0 310.235 3.187 50 0 DGAARO C[C@@H]1C[C@@H](N(C)Cc2cnns2)CC[N@@H+]1Cc1ccccc1 ZINC000289951492 221336905 /nfs/dbraw/zinc/33/69/05/221336905.db2.gz HYJXAMNXWZTSAS-ZBFHGGJFSA-N 1 0 316.474 3.023 50 0 DGAARO Cc1ncccc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000073102715 257210822 /nfs/dbraw/zinc/21/08/22/257210822.db2.gz MFCSXADNDDEZIS-UHFFFAOYSA-N 1 0 322.412 3.159 50 0 DGAARO Cc1cccc2nc(C[N@@H+](C)[C@@H](C)c3ccccc3)cc(=O)n12 ZINC000225492572 257274432 /nfs/dbraw/zinc/27/44/32/257274432.db2.gz OENGUXXHALLJOY-HNNXBMFYSA-N 1 0 307.397 3.196 50 0 DGAARO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237513248 257238666 /nfs/dbraw/zinc/23/86/66/257238666.db2.gz ARHFFNAREFXOPR-SMDDNHRTSA-N 1 0 321.490 3.309 50 0 DGAARO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237530878 257238781 /nfs/dbraw/zinc/23/87/81/257238781.db2.gz BLMUKETVDQKDRS-GWCFXTLKSA-N 1 0 307.463 3.061 50 0 DGAARO COc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1-c1ccccc1 ZINC000237122242 257239772 /nfs/dbraw/zinc/23/97/72/257239772.db2.gz DEZLUUGGIALYHM-RHSMWYFYSA-N 1 0 324.424 3.314 50 0 DGAARO CCOc1ccc(C[NH2+]CCC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000045796182 257269932 /nfs/dbraw/zinc/26/99/32/257269932.db2.gz LUMGUSMXEGJNRW-UHFFFAOYSA-N 1 0 316.420 3.494 50 0 DGAARO CC(C)c1cc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)no1 ZINC000121769733 195343316 /nfs/dbraw/zinc/34/33/16/195343316.db2.gz ORJBOPSZSAKXEI-AWEZNQCLSA-N 1 0 319.449 3.325 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccc(Br)cc1 ZINC000193493389 533462356 /nfs/dbraw/zinc/46/23/56/533462356.db2.gz QVPDKIKOOGLDDC-SNVBAGLBSA-N 1 0 306.207 3.277 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)c1ccsc1 ZINC000090955550 545832966 /nfs/dbraw/zinc/83/29/66/545832966.db2.gz KFBBGWFVBIADJS-IUODEOHRSA-N 1 0 304.415 3.162 50 0 DGAARO C[NH+](C)CCCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000004685202 400085015 /nfs/dbraw/zinc/08/50/15/400085015.db2.gz CRAPLLLADNBAIP-UHFFFAOYSA-N 1 0 306.262 3.232 50 0 DGAARO CC(=O)CCc1ccc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016488489 400174603 /nfs/dbraw/zinc/17/46/03/400174603.db2.gz AXLNUSIWMWQBRJ-CALCHBBNSA-N 1 0 319.445 3.086 50 0 DGAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C)c2ncccc12 ZINC000584886512 400120599 /nfs/dbraw/zinc/12/05/99/400120599.db2.gz CWBYUZNXUJTRAJ-AWEZNQCLSA-N 1 0 313.445 3.326 50 0 DGAARO Cc1cccc(-n2cc(C[NH2+]C3CSCCSC3)cn2)c1 ZINC000584890023 400121990 /nfs/dbraw/zinc/12/19/90/400121990.db2.gz ZHYGLJOIBNIICY-UHFFFAOYSA-N 1 0 319.499 3.119 50 0 DGAARO CC(C)[C@@H]([NH2+]Cc1cc2c(cccc2O)s1)c1nncn1C ZINC000585136104 400126818 /nfs/dbraw/zinc/12/68/18/400126818.db2.gz QFONYQOHDJCRLQ-OAHLLOKOSA-N 1 0 316.430 3.222 50 0 DGAARO COc1ccc(CC[N@H+](C)C2Cc3ccccc3C2)cc1OC ZINC000023283184 400208659 /nfs/dbraw/zinc/20/86/59/400208659.db2.gz FOTFPDOLWHAQJM-UHFFFAOYSA-N 1 0 311.425 3.346 50 0 DGAARO CSc1cccc2c(C)cc(N3CCC[N@H+](C)CC3)nc12 ZINC000023550173 400210469 /nfs/dbraw/zinc/21/04/69/400210469.db2.gz OKRZMCLJYCAMAJ-UHFFFAOYSA-N 1 0 301.459 3.407 50 0 DGAARO CCCSc1cccc(N2CC[NH+](CCCCCO)CC2)c1 ZINC000096026795 400274329 /nfs/dbraw/zinc/27/43/29/400274329.db2.gz FBNKDKRNRGCTFY-UHFFFAOYSA-N 1 0 322.518 3.473 50 0 DGAARO O=C(c1cccc(C[NH2+][C@H]2CCCSC2)c1)N1CCCCC1 ZINC000097370986 400284698 /nfs/dbraw/zinc/28/46/98/400284698.db2.gz ORKHAXQVSSHNSA-KRWDZBQOSA-N 1 0 318.486 3.298 50 0 DGAARO CNc1ccc(N2CCC3(CC2)CC[NH+](C)CC3)cc1OC ZINC000575631102 400323484 /nfs/dbraw/zinc/32/34/84/400323484.db2.gz WWFKIKHFOSGRFP-UHFFFAOYSA-N 1 0 303.450 3.049 50 0 DGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc2c(C)cccn12 ZINC000072298473 400380466 /nfs/dbraw/zinc/38/04/66/400380466.db2.gz FGSQNCAXCQZJRG-INIZCTEOSA-N 1 0 309.417 3.026 50 0 DGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000072298458 400380512 /nfs/dbraw/zinc/38/05/12/400380512.db2.gz OOYIGHQCFQCKBG-OAHLLOKOSA-N 1 0 301.438 3.022 50 0 DGAARO O=[N+]1C(c2ccco2)=C(c2ccco2)N(O)[C@H]2CCCC[C@@H]21 ZINC000033395899 400382454 /nfs/dbraw/zinc/38/24/54/400382454.db2.gz ZMWONAZNKRDQRX-RYUDHWBXSA-N 1 0 301.322 3.493 50 0 DGAARO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000072253615 400376095 /nfs/dbraw/zinc/37/60/95/400376095.db2.gz LHYWQDZDKOKJEQ-GJZGRUSLSA-N 1 0 319.836 3.252 50 0 DGAARO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000072253616 400376120 /nfs/dbraw/zinc/37/61/20/400376120.db2.gz LHYWQDZDKOKJEQ-CABCVRRESA-N 1 0 319.836 3.252 50 0 DGAARO CC(C)Cc1nnc([C@H](C)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000072275450 400376751 /nfs/dbraw/zinc/37/67/51/400376751.db2.gz AKQOHDXXYQRQNJ-HNNXBMFYSA-N 1 0 320.481 3.279 50 0 DGAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccnc1 ZINC000072268632 400376818 /nfs/dbraw/zinc/37/68/18/400376818.db2.gz KGYSGEAUBFJHIR-BHYGNILZSA-N 1 0 301.434 3.008 50 0 DGAARO Cc1ccc2cccc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2n1 ZINC000072285087 400378088 /nfs/dbraw/zinc/37/80/88/400378088.db2.gz NJLZWRZCCALRNI-INIZCTEOSA-N 1 0 324.428 3.245 50 0 DGAARO CC(C)Cn1ncnc1CN[C@H]1CCCC[C@H]1C(F)(F)F ZINC000124682377 400477883 /nfs/dbraw/zinc/47/78/83/400477883.db2.gz YBKBBHISSVQQFZ-NEPJUHHUSA-N 1 0 304.360 3.145 50 0 DGAARO Cc1oncc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000129006401 400520538 /nfs/dbraw/zinc/52/05/38/400520538.db2.gz LNJMHZYLMMOULX-UHFFFAOYSA-N 1 0 314.385 3.313 50 0 DGAARO CCCCCN(C)c1ccc(F)cc1C[NH2+]CCC(=O)N(C)C ZINC000075093196 400558067 /nfs/dbraw/zinc/55/80/67/400558067.db2.gz QFOBWBYGRXVBFJ-UHFFFAOYSA-N 1 0 323.456 3.020 50 0 DGAARO c1nnc2n1C[C@H](C[NH2+]Cc1cccc(-c3ccccc3)c1)CC2 ZINC000075605507 400596884 /nfs/dbraw/zinc/59/68/84/400596884.db2.gz BHYLEDJDEWTTDS-KRWDZBQOSA-N 1 0 318.424 3.297 50 0 DGAARO c1ccc(CCc2noc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)n2)cc1 ZINC000075768004 400610670 /nfs/dbraw/zinc/61/06/70/400610670.db2.gz BXMSBTITCCLTRL-CALCHBBNSA-N 1 0 309.413 3.253 50 0 DGAARO Cc1cn2c(CNCCC[N@H+]3CCCC[C@@H]3C)c(C)nc2s1 ZINC000078778108 400825709 /nfs/dbraw/zinc/82/57/09/400825709.db2.gz XMLPWAZKZOOGOK-ZDUSSCGKSA-N 1 0 320.506 3.367 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1cccc(Cl)c1Cl ZINC000606441912 400912815 /nfs/dbraw/zinc/91/28/15/400912815.db2.gz NPFHHHUMLWIKLU-TTXFHXEYSA-N 1 0 313.228 3.345 50 0 DGAARO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000195559840 400925888 /nfs/dbraw/zinc/92/58/88/400925888.db2.gz KOZGYRYCSYHXLC-PBHICJAKSA-N 1 0 309.475 3.147 50 0 DGAARO C[C@H]1CC[C@@H](C[NH+]2CCC(OCc3ccccc3F)CC2)O1 ZINC000225598205 400958001 /nfs/dbraw/zinc/95/80/01/400958001.db2.gz HUUUNAYJZGXZED-YOEHRIQHSA-N 1 0 307.409 3.374 50 0 DGAARO CC(C)c1ccc([C@H](O)C[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000065512594 401269418 /nfs/dbraw/zinc/26/94/18/401269418.db2.gz ABKOMGPAADSUBV-LJQANCHMSA-N 1 0 302.462 3.014 50 0 DGAARO Cc1nc(CN(CCc2ccccc2)[C@H]2CC[N@@H+](C)C2)oc1C ZINC000089558270 401226907 /nfs/dbraw/zinc/22/69/07/401226907.db2.gz IHKCJQQRCLZANB-SFHVURJKSA-N 1 0 313.445 3.040 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C12CCCC2 ZINC000095988050 286287632 /nfs/dbraw/zinc/28/76/32/286287632.db2.gz JBDQQZCBUQMFOD-RRFJBIMHSA-N 1 0 311.466 3.434 50 0 DGAARO COc1ccc([C@H]2N(O)C(C)(C)C(c3ccccc3)[N+]2=O)cc1 ZINC000000300181 286379699 /nfs/dbraw/zinc/37/96/99/286379699.db2.gz MJQXSXWNQWIYSB-QGZVFWFLSA-N 1 0 312.369 3.177 50 0 DGAARO COc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nn1C ZINC000426531873 286546573 /nfs/dbraw/zinc/54/65/73/286546573.db2.gz VZDQDJYMRUEDKU-ZDUSSCGKSA-N 1 0 300.406 3.038 50 0 DGAARO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000129052199 196014825 /nfs/dbraw/zinc/01/48/25/196014825.db2.gz LXEDGUDYCVBVAP-UXLLHSPISA-N 1 0 306.425 3.118 50 0 DGAARO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000129624828 196063105 /nfs/dbraw/zinc/06/31/05/196063105.db2.gz JPIQVPCWDAMFFV-SECBINFHSA-N 1 0 320.742 3.040 50 0 DGAARO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCN(CC2CCOCC2)CC1 ZINC000191070387 432217621 /nfs/dbraw/zinc/21/76/21/432217621.db2.gz AFOGZAPMVILIHU-MJGOQNOKSA-N 1 0 306.494 3.023 50 0 DGAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(CC2CCOCC2)CC1 ZINC000191070407 432217734 /nfs/dbraw/zinc/21/77/34/432217734.db2.gz AFOGZAPMVILIHU-HKUYNNGSSA-N 1 0 306.494 3.023 50 0 DGAARO COC[C@@H](O)C[NH2+][C@@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 ZINC000131548523 196178978 /nfs/dbraw/zinc/17/89/78/196178978.db2.gz XLLKUSSZTWGEDL-DOTOQJQBSA-N 1 0 321.461 3.103 50 0 DGAARO Cc1nnc([C@H](C)N2CCC[C@H]2c2cccc(N(C)C)c2)o1 ZINC000247452534 432231746 /nfs/dbraw/zinc/23/17/46/432231746.db2.gz HPKGFYAOFWMJQR-LRDDRELGSA-N 1 0 300.406 3.342 50 0 DGAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1SCCS1 ZINC000270431135 432245292 /nfs/dbraw/zinc/24/52/92/432245292.db2.gz FYADFCNGYCRBMR-UHFFFAOYSA-N 1 0 322.499 3.417 50 0 DGAARO O=C(NC1CC1)[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000247740004 432248776 /nfs/dbraw/zinc/24/87/76/432248776.db2.gz NIPYEECYHMYYOX-IPMKNSEASA-N 1 0 306.409 3.152 50 0 DGAARO CC[NH+]1CCC(N2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000067954749 273649660 /nfs/dbraw/zinc/64/96/60/273649660.db2.gz IMXRJVQMMVTJKW-UHFFFAOYSA-N 1 0 313.445 3.019 50 0 DGAARO C[NH+](C)CC(=O)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000005524844 273793797 /nfs/dbraw/zinc/79/37/97/273793797.db2.gz FSZVYNKALFDSNK-GOSISDBHSA-N 1 0 312.438 3.060 50 0 DGAARO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000007421318 274162343 /nfs/dbraw/zinc/16/23/43/274162343.db2.gz UWYSEOGOFHZVJH-HNNXBMFYSA-N 1 0 312.413 3.463 50 0 DGAARO COc1coc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)cc1=O ZINC000426571817 274166751 /nfs/dbraw/zinc/16/67/51/274166751.db2.gz RLMBWKBAUHCTNY-INIZCTEOSA-N 1 0 313.397 3.274 50 0 DGAARO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(Br)cc1 ZINC000000210698 274217379 /nfs/dbraw/zinc/21/73/79/274217379.db2.gz FTGYIFWMHPWALZ-NSHDSACASA-N 1 0 312.207 3.090 50 0 DGAARO O=C(Nc1nc2ccccc2s1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229816440 275002572 /nfs/dbraw/zinc/00/25/72/275002572.db2.gz IYTOJXVQFBETDF-AAEUAGOBSA-N 1 0 316.430 3.045 50 0 DGAARO C/C(=C/c1ccccc1)[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000097998066 275399088 /nfs/dbraw/zinc/39/90/88/275399088.db2.gz YSUVMVPFDVAORU-JNSOCZORSA-N 1 0 303.369 3.188 50 0 DGAARO CC(=O)N1[C@H]([NH2+]C2CCCCC2)C[C@H](C)N1c1ccccc1 ZINC000004723601 275476202 /nfs/dbraw/zinc/47/62/02/275476202.db2.gz ZKJKFUBVDNZNIV-KSSFIOAISA-N 1 0 301.434 3.297 50 0 DGAARO CC(C)(C)c1nc(C(C)(C)C)c(Br)c(NN)[nH+]1 ZINC000000331413 275540091 /nfs/dbraw/zinc/54/00/91/275540091.db2.gz DJHDICNHCWIQMC-UHFFFAOYSA-N 1 0 301.232 3.120 50 0 DGAARO CCCCNC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000002116525 276236289 /nfs/dbraw/zinc/23/62/89/276236289.db2.gz VFXQBSPHOLZSOG-RDJZCZTQSA-N 1 0 301.434 3.112 50 0 biogenic DGAARO CC[NH+](CC)[C@H](CNc1ncnc2oc(C)nc21)c1ccco1 ZINC000055358182 276340812 /nfs/dbraw/zinc/34/08/12/276340812.db2.gz JXOJXNRQYVNGLP-GFCCVEGCSA-N 1 0 315.377 3.014 50 0 DGAARO C[NH+]1CCC(NC(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000072434007 277030253 /nfs/dbraw/zinc/03/02/53/277030253.db2.gz JTQMTSKDCFBSPV-UHFFFAOYSA-N 1 0 308.381 3.410 50 0 DGAARO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000089662590 277200365 /nfs/dbraw/zinc/20/03/65/277200365.db2.gz MBCLZKVYUYOARF-CVEARBPZSA-N 1 0 324.465 3.006 50 0 DGAARO C[C@H](C[NH+]1CCCCCC1)NCc1nncn1C1CCCCC1 ZINC000067788660 278188591 /nfs/dbraw/zinc/18/85/91/278188591.db2.gz IMFUHTUGEWGGNL-MRXNPFEDSA-N 1 0 319.497 3.137 50 0 DGAARO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2COC)[C@@H](C)C1 ZINC000108148987 431126459 /nfs/dbraw/zinc/12/64/59/431126459.db2.gz HLQQCQCOKOEGJJ-HDMKZQKVSA-N 1 0 319.445 3.291 50 0 DGAARO c1ccc2c(c1)[nH]c1nc(SCC[NH+]3CCCCC3)nnc21 ZINC000000080363 431118666 /nfs/dbraw/zinc/11/86/66/431118666.db2.gz DRVRCPIXTBQSMC-UHFFFAOYSA-N 1 0 313.430 3.084 50 0 DGAARO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000110891 431125146 /nfs/dbraw/zinc/12/51/46/431125146.db2.gz FFRLJTMYWBPSDR-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 biogenic DGAARO CCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000068363708 431125704 /nfs/dbraw/zinc/12/57/04/431125704.db2.gz KBJMFPVZLRIUPB-SFHVURJKSA-N 1 0 323.440 3.347 50 0 DGAARO O=C(Nc1ccc(C(F)(F)F)cc1)O[C@H]1C[NH+]2CCC1CC2 ZINC000000129812 431130001 /nfs/dbraw/zinc/13/00/01/431130001.db2.gz GTZHUHCBWQDDDM-ZDUSSCGKSA-N 1 0 314.307 3.348 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000000157767 431135826 /nfs/dbraw/zinc/13/58/26/431135826.db2.gz KIZMZDYNZXXQND-UHFFFAOYSA-N 1 0 300.427 3.143 50 0 DGAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000000162861 431137007 /nfs/dbraw/zinc/13/70/07/431137007.db2.gz WUDUFRBXYAYWEV-UHFFFAOYSA-N 1 0 308.425 3.389 50 0 DGAARO CCN(Cc1noc(C)n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106643402 279244083 /nfs/dbraw/zinc/24/40/83/279244083.db2.gz GZOSKPZWDFGHEP-RHSMWYFYSA-N 1 0 314.433 3.035 50 0 DGAARO COc1cc(C[NH2+]Cc2ccc(F)c(F)c2)cc(OC)c1OC ZINC000000172158 431140518 /nfs/dbraw/zinc/14/05/18/431140518.db2.gz IPPWJESKTDEBME-UHFFFAOYSA-N 1 0 323.339 3.280 50 0 DGAARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000000317550 431165751 /nfs/dbraw/zinc/16/57/51/431165751.db2.gz BLOWQNVJGWCPNR-HNNXBMFYSA-N 1 0 318.436 3.296 50 0 DGAARO CC[N@H+](CCO)Cc1cc2cc(Br)ccc2s1 ZINC000000338844 431168232 /nfs/dbraw/zinc/16/82/32/431168232.db2.gz RXQQEQGNBNJHGT-UHFFFAOYSA-N 1 0 314.248 3.478 50 0 DGAARO CC[N@H+](CCO)Cc1csc2ccc(Br)cc12 ZINC000000338779 431169316 /nfs/dbraw/zinc/16/93/16/431169316.db2.gz QLDCYLXQWZJOHQ-UHFFFAOYSA-N 1 0 314.248 3.478 50 0 DGAARO COc1ccc(Cl)cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000382614 431173308 /nfs/dbraw/zinc/17/33/08/431173308.db2.gz ZPPUNVZUEMZEGX-UHFFFAOYSA-N 1 0 324.852 3.388 50 0 DGAARO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc2c(c1)CCCC2 ZINC000069454028 431189788 /nfs/dbraw/zinc/18/97/88/431189788.db2.gz HYXXBKWUQBVSJI-CABCVRRESA-N 1 0 310.445 3.154 50 0 DGAARO CCSCc1ccc(C(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000069461103 431190507 /nfs/dbraw/zinc/19/05/07/431190507.db2.gz ZQJYDUAUAQFEGJ-UHFFFAOYSA-N 1 0 306.475 3.108 50 0 DGAARO c1csc(-c2csc(C[NH2+][C@H]3CCc4ncnn4C3)c2)c1 ZINC000069510984 431192789 /nfs/dbraw/zinc/19/27/89/431192789.db2.gz IBQSZMOSORCGOT-LBPRGKRZSA-N 1 0 316.455 3.173 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000069531727 431196680 /nfs/dbraw/zinc/19/66/80/431196680.db2.gz CJQDCANRCSOHSR-HOTGVXAUSA-N 1 0 309.417 3.117 50 0 DGAARO CCC1(CC)[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@@H]1OC ZINC000108490618 431146601 /nfs/dbraw/zinc/14/66/01/431146601.db2.gz REFHWWMASNIYCA-WCVJEAGWSA-N 1 0 313.507 3.224 50 0 DGAARO O=C([C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCCCC1 ZINC000000212594 431147242 /nfs/dbraw/zinc/14/72/42/431147242.db2.gz GOYOCCTUHHVZNJ-OAHLLOKOSA-N 1 0 306.475 3.363 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000000240059 431151132 /nfs/dbraw/zinc/15/11/32/431151132.db2.gz PZVIJFZLBVKERF-KRWDZBQOSA-N 1 0 318.461 3.084 50 0 DGAARO CCOc1ccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000000250029 431152877 /nfs/dbraw/zinc/15/28/77/431152877.db2.gz CEONUKADDXRNBN-GJZGRUSLSA-N 1 0 319.449 3.470 50 0 DGAARO COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000000243757 431154414 /nfs/dbraw/zinc/15/44/14/431154414.db2.gz TVFXWYBYFJRAAF-UHFFFAOYSA-N 1 0 318.461 3.154 50 0 DGAARO O=C(Cc1cccc(Cl)c1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052589 431156121 /nfs/dbraw/zinc/15/61/21/431156121.db2.gz OYGHHDFBRZKSHT-UHFFFAOYSA-N 1 0 300.789 3.167 50 0 DGAARO COc1cc2c(cc1OC)[C@H]1C[C@H](O)[C@H](CC(C)C)C[N@@H+]1CC2 ZINC000002567237 431257412 /nfs/dbraw/zinc/25/74/12/431257412.db2.gz WEQLWGNDNRARGE-OIISXLGYSA-N 1 0 319.445 3.030 50 0 DGAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc2cccnc21 ZINC000069583088 431203472 /nfs/dbraw/zinc/20/34/72/431203472.db2.gz AKTFQKDEELBRMH-ROUUACIJSA-N 1 0 323.440 3.324 50 0 DGAARO Cn1cc([C@@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)cn1 ZINC000069668860 431209565 /nfs/dbraw/zinc/20/95/65/431209565.db2.gz USKKQQUOZPWLFD-INIZCTEOSA-N 1 0 310.401 3.331 50 0 DGAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000069709492 431214224 /nfs/dbraw/zinc/21/42/24/431214224.db2.gz OHXRVPGZJIBAHO-MOPGFXCFSA-N 1 0 323.440 3.324 50 0 DGAARO C([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)C1CCCCC1 ZINC000069816659 431226657 /nfs/dbraw/zinc/22/66/57/431226657.db2.gz MOTJIPJCLLQFMF-INIZCTEOSA-N 1 0 318.465 3.081 50 0 DGAARO C=C1[NH+]=C(NC)S[C@@H](c2ccc(C)cc2)C1C(=O)OCC ZINC000001410009 431227225 /nfs/dbraw/zinc/22/72/25/431227225.db2.gz GTYYMMWABGIWLL-AWEZNQCLSA-N 1 0 304.415 3.195 50 0 DGAARO COc1ccc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cncn2)cc1Cl ZINC000069877529 431229084 /nfs/dbraw/zinc/22/90/84/431229084.db2.gz HQXBMVLBOWDKEP-GXTWGEPZSA-N 1 0 320.824 3.166 50 0 DGAARO C[C@H]1CCc2c(sc3ncnc(NCCC[NH+](C)C)c23)C1 ZINC000001776833 431239817 /nfs/dbraw/zinc/23/98/17/431239817.db2.gz XMQFVSRCQXMPFZ-NSHDSACASA-N 1 0 304.463 3.180 50 0 DGAARO CC[NH+](CC)CCOc1ccc2c(c1)C(=O)c1cc(O)ccc1-2 ZINC000002231796 431249406 /nfs/dbraw/zinc/24/94/06/431249406.db2.gz IBSKETFVZRWGRW-UHFFFAOYSA-N 1 0 311.381 3.324 50 0 DGAARO COCCC[NH2+]CCOc1ccc(Cl)cc1Br ZINC000003003716 431280225 /nfs/dbraw/zinc/28/02/25/431280225.db2.gz GNVTUONNJWNCCG-UHFFFAOYSA-N 1 0 322.630 3.107 50 0 DGAARO Cc1noc([C@@H]2CCC[N@H+](CCOC3CCCCCC3)C2)n1 ZINC000071913993 431316511 /nfs/dbraw/zinc/31/65/11/431316511.db2.gz YRIZNEVUCZYBTM-OAHLLOKOSA-N 1 0 307.438 3.297 50 0 DGAARO Fc1ccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)cc1 ZINC000071792603 431286098 /nfs/dbraw/zinc/28/60/98/431286098.db2.gz JPKZGFSQCZFKSN-UHFFFAOYSA-N 1 0 313.420 3.017 50 0 DGAARO CCc1cc(N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)nc(C)n1 ZINC000071762419 431286999 /nfs/dbraw/zinc/28/69/99/431286999.db2.gz CWXWINMYWCOVFV-SFHVURJKSA-N 1 0 316.493 3.294 50 0 DGAARO C[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000003256354 431289058 /nfs/dbraw/zinc/28/90/58/431289058.db2.gz MJKAPGJXBQCVJI-UHFFFAOYSA-N 1 0 310.397 3.257 50 0 DGAARO CS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000071824913 431295124 /nfs/dbraw/zinc/29/51/24/431295124.db2.gz JRZCZOGNJRLLJB-QGZVFWFLSA-N 1 0 303.427 3.021 50 0 DGAARO CCCCNC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000004016888 431295897 /nfs/dbraw/zinc/29/58/97/431295897.db2.gz VFXQBSPHOLZSOG-DOTOQJQBSA-N 1 0 301.434 3.112 50 0 biogenic DGAARO CC[N@@H+]1CCC[C@H](Nc2nc(C)nc3sc4c(c32)CCC4)C1 ZINC000071821702 431296687 /nfs/dbraw/zinc/29/66/87/431296687.db2.gz YYJQMFPXGJKJEC-LBPRGKRZSA-N 1 0 316.474 3.385 50 0 DGAARO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000071837188 431299351 /nfs/dbraw/zinc/29/93/51/431299351.db2.gz CBCRSMHAEMWHLO-GOSISDBHSA-N 1 0 308.429 3.162 50 0 DGAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1cc3ccccc3o1)CC2 ZINC000071877297 431305163 /nfs/dbraw/zinc/30/51/63/431305163.db2.gz WAAKBGJEGSDKHS-CQSZACIVSA-N 1 0 310.401 3.252 50 0 DGAARO Cc1ccc(-c2nc(C[NH2+][C@H](C)Cn3cccn3)cs2)o1 ZINC000071879140 431305376 /nfs/dbraw/zinc/30/53/76/431305376.db2.gz OJGDFDYREKEKCV-LLVKDONJSA-N 1 0 302.403 3.086 50 0 DGAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CCCCCC2)cc1 ZINC000002639323 431261365 /nfs/dbraw/zinc/26/13/65/431261365.db2.gz OBGQELOXBOBUHR-QGZVFWFLSA-N 1 0 319.445 3.331 50 0 DGAARO COc1cccc(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000002822224 431272359 /nfs/dbraw/zinc/27/23/59/431272359.db2.gz ITHJEVKAQFDUKH-IYBDPMFKSA-N 1 0 307.434 3.069 50 0 DGAARO O=C(NCC[NH+]1CCCC1)c1ccc(COc2ccccc2)cc1 ZINC000007989743 431372881 /nfs/dbraw/zinc/37/28/81/431372881.db2.gz XNLZYNZDFFJWDG-UHFFFAOYSA-N 1 0 324.424 3.091 50 0 DGAARO COc1cccc(C[NH2+]C[C@H](C)O)c1OCc1ccc(C)cc1 ZINC000006745281 431319851 /nfs/dbraw/zinc/31/98/51/431319851.db2.gz FHEGGUHCJAUKRW-HNNXBMFYSA-N 1 0 315.413 3.053 50 0 DGAARO CCc1cc2c(C[N@@H+]3CCC[C@@H](C)C3)cc(=O)oc2cc1O ZINC000006851613 431322725 /nfs/dbraw/zinc/32/27/25/431322725.db2.gz QFJGNHOSBKFTFZ-GFCCVEGCSA-N 1 0 301.386 3.293 50 0 DGAARO Cc1c(C)n(C)c2ccc(C(=O)NCCC[NH+]3CCCC3)cc12 ZINC000006911039 431323540 /nfs/dbraw/zinc/32/35/40/431323540.db2.gz FVJINMCXLORNHK-UHFFFAOYSA-N 1 0 313.445 3.011 50 0 DGAARO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000072345878 431335991 /nfs/dbraw/zinc/33/59/91/431335991.db2.gz BTYTYPUKIUVWLY-LLVKDONJSA-N 1 0 322.334 3.212 50 0 DGAARO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C1CC1)c1ccccc1 ZINC000007387728 431344680 /nfs/dbraw/zinc/34/46/80/431344680.db2.gz JWBKTYINXWGDOE-SFHVURJKSA-N 1 0 310.397 3.435 50 0 DGAARO CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C12CCCC2 ZINC000072304619 279809318 /nfs/dbraw/zinc/80/93/18/279809318.db2.gz NZFXPUOGANSHAT-BRWVUGGUSA-N 1 0 322.493 3.105 50 0 DGAARO C[C@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009911555 431449007 /nfs/dbraw/zinc/44/90/07/431449007.db2.gz ZYUJRZPHATWBJV-LBPRGKRZSA-N 1 0 304.390 3.055 50 0 DGAARO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000009996417 431453493 /nfs/dbraw/zinc/45/34/93/431453493.db2.gz MFSYPIBOWOIOLN-NSHDSACASA-N 1 0 315.244 3.342 50 0 DGAARO CC(C)[NH+]1CCC(CNC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000011027405 431468427 /nfs/dbraw/zinc/46/84/27/431468427.db2.gz ZGBOAJRHYQZZKN-UHFFFAOYSA-N 1 0 308.853 3.119 50 0 DGAARO Cc1c(-c2ccccc2)nn2c1nc(C)cc2NCCC[NH+](C)C ZINC000075330317 431471047 /nfs/dbraw/zinc/47/10/47/431471047.db2.gz DMLUNJDCYMNNBJ-UHFFFAOYSA-N 1 0 323.444 3.377 50 0 DGAARO Cc1c([C@@H](C)[NH2+]C2CCOCC2)cnn1-c1ccc(F)cc1F ZINC000011661070 431479205 /nfs/dbraw/zinc/47/92/05/431479205.db2.gz YWCPSDVDOIZGCO-LLVKDONJSA-N 1 0 321.371 3.289 50 0 DGAARO CCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000009368313 431434370 /nfs/dbraw/zinc/43/43/70/431434370.db2.gz LFCZCJCMGAQYGY-UHFFFAOYSA-N 1 0 303.450 3.266 50 0 DGAARO CC[NH+]1CCN(c2ccc(NC(=O)C3CCCC3)cc2C)CC1 ZINC000009368953 431434688 /nfs/dbraw/zinc/43/46/88/431434688.db2.gz WACBSWBCCSELRM-UHFFFAOYSA-N 1 0 315.461 3.266 50 0 DGAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)N1CCc2ccccc21 ZINC000012819857 431533007 /nfs/dbraw/zinc/53/30/07/431533007.db2.gz CWMIPOGRXBTDLB-LJQANCHMSA-N 1 0 320.436 3.283 50 0 DGAARO COc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000012866127 431530977 /nfs/dbraw/zinc/53/09/77/431530977.db2.gz KQUWBPLDXQENMB-UHFFFAOYSA-N 1 0 324.424 3.221 50 0 DGAARO CSCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000011932712 431488488 /nfs/dbraw/zinc/48/84/88/431488488.db2.gz PDKIEUSEGOLWGD-AWEZNQCLSA-N 1 0 324.465 3.021 50 0 DGAARO CC(C)[NH+]1CCC(n2c3ncccc3nc2[C@@H]2CCCO2)CC1 ZINC000012185332 431497024 /nfs/dbraw/zinc/49/70/24/431497024.db2.gz PECBKEUWCHGKPR-INIZCTEOSA-N 1 0 314.433 3.328 50 0 DGAARO CCO[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)C12CCCC2 ZINC000096478805 279932976 /nfs/dbraw/zinc/93/29/76/279932976.db2.gz IIBLMRUVCYLOCR-GJZGRUSLSA-N 1 0 316.436 3.043 50 0 DGAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](CCCSC)C2)c1 ZINC000012474611 431509410 /nfs/dbraw/zinc/50/94/10/431509410.db2.gz OMHPTLWAWKLAKV-OAHLLOKOSA-N 1 0 307.459 3.343 50 0 DGAARO Cc1ccccc1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000012984155 431540344 /nfs/dbraw/zinc/54/03/44/431540344.db2.gz KLUFJKOTOYUHHC-INIZCTEOSA-N 1 0 317.458 3.159 50 0 DGAARO CCOC(=O)c1ccc2c(c1)[n+](Cc1ccccc1)c(C)n2CC ZINC000013154496 431548195 /nfs/dbraw/zinc/54/81/95/431548195.db2.gz IPEVSRHUJGESHR-UHFFFAOYSA-N 1 0 323.416 3.482 50 0 DGAARO COCCC[C@H]1CCCC[N@@H+]1Cc1nc(C)n2ccccc12 ZINC000077469752 431595909 /nfs/dbraw/zinc/59/59/09/431595909.db2.gz RFQARCUIHYFWIQ-MRXNPFEDSA-N 1 0 301.434 3.424 50 0 DGAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2ccc3ccccc3c2)C1 ZINC000077380514 431590366 /nfs/dbraw/zinc/59/03/66/431590366.db2.gz KBKDPCWKRXCKRH-NRFANRHFSA-N 1 0 324.468 3.263 50 0 DGAARO Cc1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC000025330042 431650817 /nfs/dbraw/zinc/65/08/17/431650817.db2.gz OGEWWDMZGJQKRX-INIZCTEOSA-N 1 0 302.443 3.398 50 0 DGAARO CC(C)(CNC(=O)c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000025462118 431657893 /nfs/dbraw/zinc/65/78/93/431657893.db2.gz FVRLRWKZUBQLSI-UHFFFAOYSA-N 1 0 314.454 3.315 50 0 DGAARO O=C1Nc2ccccc2[C@H]1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000020759442 431624588 /nfs/dbraw/zinc/62/45/88/431624588.db2.gz YGURMDITZSVQME-WMZOPIPTSA-N 1 0 303.365 3.091 50 0 biogenic DGAARO Cc1ccc2cc(C(=O)N3CCC[C@H]3Cn3ccnc3)ccc2n1 ZINC000119018754 431634934 /nfs/dbraw/zinc/63/49/34/431634934.db2.gz UTONXAUBYXOSNP-KRWDZBQOSA-N 1 0 320.396 3.045 50 0 DGAARO Clc1ccc(OCCCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000022577145 431636929 /nfs/dbraw/zinc/63/69/29/431636929.db2.gz PHWACQZQXWXBIB-UHFFFAOYSA-N 1 0 317.260 3.448 50 0 DGAARO COc1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000025876347 431665538 /nfs/dbraw/zinc/66/55/38/431665538.db2.gz QWPQGVRWWVKDPT-UHFFFAOYSA-N 1 0 318.461 3.053 50 0 DGAARO COc1ccc([C@@H](CNC(=O)CC(C)C)[NH+]2CCCCC2)cc1 ZINC000027794326 431695048 /nfs/dbraw/zinc/69/50/48/431695048.db2.gz OAQALZGNACYMJN-GOSISDBHSA-N 1 0 318.461 3.385 50 0 DGAARO CCCNC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032769984 431790377 /nfs/dbraw/zinc/79/03/77/431790377.db2.gz AYBAMBLDUNAVOS-AWEZNQCLSA-N 1 0 311.429 3.172 50 0 DGAARO CC(C)C[C@H](CNC(=O)Nc1ccccc1F)[NH+]1CCCC1 ZINC000032909535 431798854 /nfs/dbraw/zinc/79/88/54/431798854.db2.gz YAHWIXMIBOAKGH-CQSZACIVSA-N 1 0 307.413 3.458 50 0 DGAARO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000081645696 431798943 /nfs/dbraw/zinc/79/89/43/431798943.db2.gz HWAZPJOTYGRBGF-UHFFFAOYSA-N 1 0 321.421 3.238 50 0 DGAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@@H](C)c1cc(C)sc1C)CN2 ZINC000058294444 280702098 /nfs/dbraw/zinc/70/20/98/280702098.db2.gz WKLBANUMSNLCHV-JSGCOSHPSA-N 1 0 304.463 3.262 50 0 DGAARO CC(C)[N@@H+]1CCCC[C@H]1CCn1cnc2c(F)cccc2c1=O ZINC000032516093 431782995 /nfs/dbraw/zinc/78/29/95/431782995.db2.gz LNVULVYFBFWXMF-AWEZNQCLSA-N 1 0 317.408 3.189 50 0 DGAARO Clc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000036932143 431842903 /nfs/dbraw/zinc/84/29/03/431842903.db2.gz UVUBBMLVXRIDKT-UHFFFAOYSA-N 1 0 301.821 3.494 50 0 DGAARO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC000012348872 280777746 /nfs/dbraw/zinc/77/77/46/280777746.db2.gz ZNCIVTKXDYPCOL-INIZCTEOSA-N 1 0 302.443 3.398 50 0 DGAARO Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)o1 ZINC000040461955 431857052 /nfs/dbraw/zinc/85/70/52/431857052.db2.gz RNYQIGXTMLCDDR-INIZCTEOSA-N 1 0 304.365 3.068 50 0 DGAARO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000040487743 431857178 /nfs/dbraw/zinc/85/71/78/431857178.db2.gz FMMURWOQSJRIOQ-IBGZPJMESA-N 1 0 309.409 3.315 50 0 DGAARO C[C@@H](CCc1ccccc1)NC(=O)CN1CCc2ccccc2C1 ZINC000034858978 431819502 /nfs/dbraw/zinc/81/95/02/431819502.db2.gz PTERKYMSIYGEGY-KRWDZBQOSA-N 1 0 322.452 3.182 50 0 DGAARO CC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000034995206 431822593 /nfs/dbraw/zinc/82/25/93/431822593.db2.gz SNQXMUIQYFEEPG-UHFFFAOYSA-N 1 0 301.217 3.094 50 0 DGAARO CCOc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OC ZINC000035268949 431829001 /nfs/dbraw/zinc/82/90/01/431829001.db2.gz XPPYZJURPKITSJ-UHFFFAOYSA-N 1 0 323.824 3.124 50 0 DGAARO CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000084630718 431830028 /nfs/dbraw/zinc/83/00/28/431830028.db2.gz RTFDVMNZJSLGQK-INIZCTEOSA-N 1 0 319.449 3.021 50 0 DGAARO COCCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036100528 431836032 /nfs/dbraw/zinc/83/60/32/431836032.db2.gz UDVHENGPDKDLHF-SFHVURJKSA-N 1 0 323.477 3.010 50 0 DGAARO Cc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)on1 ZINC000092002293 431908107 /nfs/dbraw/zinc/90/81/07/431908107.db2.gz DYOVTGXFHMNGOX-ZWKOTPCHSA-N 1 0 311.429 3.079 50 0 DGAARO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000095459139 431926233 /nfs/dbraw/zinc/92/62/33/431926233.db2.gz FSOYWSRXIMLBTH-QLFBSQMISA-N 1 0 304.434 3.135 50 0 DGAARO COc1cccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000047794754 431915701 /nfs/dbraw/zinc/91/57/01/431915701.db2.gz AYBPATYPMMGNBJ-LJQANCHMSA-N 1 0 324.424 3.149 50 0 DGAARO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000048260461 431921316 /nfs/dbraw/zinc/92/13/16/431921316.db2.gz NXQGUMLWFWERRK-SNVBAGLBSA-N 1 0 314.364 3.265 50 0 DGAARO O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]1c1nccs1 ZINC000095365811 431922607 /nfs/dbraw/zinc/92/26/07/431922607.db2.gz HPSGLBRPOBKBLJ-AWEZNQCLSA-N 1 0 307.463 3.073 50 0 DGAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)C1 ZINC000048324372 431922628 /nfs/dbraw/zinc/92/26/28/431922628.db2.gz ILZKFQIMEMMVIE-IEBWSBKVSA-N 1 0 314.473 3.342 50 0 DGAARO COc1ccc(CC[NH2+][C@H](C)c2cccc(O)c2)cc1OC ZINC000095349336 431923158 /nfs/dbraw/zinc/92/31/58/431923158.db2.gz QGJZFVUGIPYSDQ-CYBMUJFWSA-N 1 0 301.386 3.303 50 0 DGAARO c1ncn(C2CCCCC2)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000095361010 431923459 /nfs/dbraw/zinc/92/34/59/431923459.db2.gz TVKDWNCSZRLJKJ-GOSISDBHSA-N 1 0 303.450 3.391 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCc2ccccc2)C1 ZINC000048331995 431923507 /nfs/dbraw/zinc/92/35/07/431923507.db2.gz SRFMPTKGTMNNCM-HDICACEKSA-N 1 0 316.489 3.494 50 0 DGAARO CC[C@@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1ccc(O)cc1 ZINC000095369928 431923943 /nfs/dbraw/zinc/92/39/43/431923943.db2.gz SGNKWJPMUDDIJS-GOSISDBHSA-N 1 0 318.461 3.470 50 0 DGAARO Cc1cc(C)c(CNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)cn1 ZINC000095370634 431924258 /nfs/dbraw/zinc/92/42/58/431924258.db2.gz RJUZRYKGQKQQPU-SFHVURJKSA-N 1 0 323.440 3.095 50 0 DGAARO CCO[C@H]1C[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C12CCC2 ZINC000095423221 431924910 /nfs/dbraw/zinc/92/49/10/431924910.db2.gz YERGNNIBUQSHJG-FMPXUHTOSA-N 1 0 321.383 3.160 50 0 DGAARO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccsc2)cc1 ZINC000095420293 431924926 /nfs/dbraw/zinc/92/49/26/431924926.db2.gz KHCBKOHWWXUHCN-LBPRGKRZSA-N 1 0 324.471 3.361 50 0 DGAARO Cc1ncc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000089730072 431876102 /nfs/dbraw/zinc/87/61/02/431876102.db2.gz YFOXJWMBOKIUBK-GFCCVEGCSA-N 1 0 313.430 3.225 50 0 DGAARO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 ZINC000095422864 431925353 /nfs/dbraw/zinc/92/53/53/431925353.db2.gz FNPQCDJKTZNANN-ZYHUDNBSSA-N 1 0 314.401 3.273 50 0 DGAARO c1cn2c(n1)[C@H](C[NH2+]Cc1ccccc1OCC1CC1)CCC2 ZINC000089813990 431880777 /nfs/dbraw/zinc/88/07/77/431880777.db2.gz QSKRNQVEWHAWAB-KRWDZBQOSA-N 1 0 311.429 3.339 50 0 DGAARO c1cn(C2CC[NH+](CCOc3cccc4ccccc43)CC2)nn1 ZINC000089873257 431883044 /nfs/dbraw/zinc/88/30/44/431883044.db2.gz IIEYGJHDEFTVCJ-UHFFFAOYSA-N 1 0 322.412 3.147 50 0 DGAARO C[C@H]1C[C@H](NC(=O)CCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000089920326 431885840 /nfs/dbraw/zinc/88/58/40/431885840.db2.gz JRDBICHPJLHHPH-JSGCOSHPSA-N 1 0 314.351 3.108 50 0 DGAARO CC(=O)N1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@H](C)C1 ZINC000089937665 431886402 /nfs/dbraw/zinc/88/64/02/431886402.db2.gz VHVFHTLSFCAHDU-WBMJQRKESA-N 1 0 302.443 3.248 50 0 DGAARO Cc1ccc(OC2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000095426444 431925653 /nfs/dbraw/zinc/92/56/53/431925653.db2.gz BMQQLIKVYLTWHQ-IBGZPJMESA-N 1 0 324.424 3.065 50 0 DGAARO CCOc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000045959923 431891434 /nfs/dbraw/zinc/89/14/34/431891434.db2.gz JXDFYUGHXZFLOQ-GJZGRUSLSA-N 1 0 319.449 3.470 50 0 DGAARO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)s1 ZINC000090801377 431895581 /nfs/dbraw/zinc/89/55/81/431895581.db2.gz UTFKZIWHNOIEDE-TZMCWYRMSA-N 1 0 316.474 3.338 50 0 DGAARO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000046266371 431896499 /nfs/dbraw/zinc/89/64/99/431896499.db2.gz RWOZIPJBJYGKHH-PBHICJAKSA-N 1 0 321.440 3.403 50 0 DGAARO C[C@H]1CCC[N@H+](CCCNC(=O)/C=C/c2cccc(F)c2)C1 ZINC000046959917 431903734 /nfs/dbraw/zinc/90/37/34/431903734.db2.gz AQOYMMGQTZYGLX-HVHJFMEUSA-N 1 0 304.409 3.077 50 0 DGAARO CCCOc1ccccc1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000097594702 431971228 /nfs/dbraw/zinc/97/12/28/431971228.db2.gz 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/nfs/dbraw/zinc/97/78/90/431977890.db2.gz BFDMKWGYQBDZDQ-IBGZPJMESA-N 1 0 312.413 3.217 50 0 DGAARO Cc1cccc(-c2ncc(C[NH2+]CCC[C@H]3CCOC3)cn2)c1 ZINC000055195631 431978656 /nfs/dbraw/zinc/97/86/56/431978656.db2.gz SMAMFWNLPRAQTR-INIZCTEOSA-N 1 0 311.429 3.358 50 0 DGAARO CC[C@@H](C)[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1cccnc1 ZINC000055307873 431979270 /nfs/dbraw/zinc/97/92/70/431979270.db2.gz UFKOHLCHJBKDCP-MRXNPFEDSA-N 1 0 321.428 3.463 50 0 DGAARO Cc1cc(N2CCS(=O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000095961974 431929041 /nfs/dbraw/zinc/92/90/41/431929041.db2.gz ANKITDFTHCKKJE-UHFFFAOYSA-N 1 0 308.834 3.074 50 0 DGAARO O[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000095967959 431929358 /nfs/dbraw/zinc/92/93/58/431929358.db2.gz YJUDVJKXFHVFQC-QZTJIDSGSA-N 1 0 322.880 3.198 50 0 DGAARO CC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)C(C)C ZINC000095967481 431929417 /nfs/dbraw/zinc/92/94/17/431929417.db2.gz VMYOBNBJFDWTMW-MSOLQXFVSA-N 1 0 308.441 3.223 50 0 DGAARO 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C[C@H](CSC(C)(C)C)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000095419935 185360068 /nfs/dbraw/zinc/36/00/68/185360068.db2.gz XFWKWHBZMXEEOX-CYBMUJFWSA-N 1 0 324.490 3.394 50 0 DGAARO C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000095419657 185360126 /nfs/dbraw/zinc/36/01/26/185360126.db2.gz CFCXJTOLJADYPI-ZDUSSCGKSA-N 1 0 300.377 3.036 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000095423860 185361289 /nfs/dbraw/zinc/36/12/89/185361289.db2.gz MNASTBWLNFVINY-ZJNRKIDTSA-N 1 0 304.409 3.050 50 0 DGAARO O=C(CCC(F)(F)F)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000095429514 185362517 /nfs/dbraw/zinc/36/25/17/185362517.db2.gz TXNYSHZDNJYRDO-AWEZNQCLSA-N 1 0 314.351 3.110 50 0 DGAARO c1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)nc1 ZINC000095434149 185364084 /nfs/dbraw/zinc/36/40/84/185364084.db2.gz XZNYIVALHJTYGV-UHFFFAOYSA-N 1 0 312.413 3.067 50 0 DGAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cccc2c[nH]nc21 ZINC000095448870 185368273 /nfs/dbraw/zinc/36/82/73/185368273.db2.gz PARWPPNKMDJBLT-PXAZEXFGSA-N 1 0 313.376 3.304 50 0 DGAARO CC(C)Oc1ccccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000095466218 185371767 /nfs/dbraw/zinc/37/17/67/185371767.db2.gz HJSNSLVFXZGHHX-ZBFHGGJFSA-N 1 0 317.433 3.032 50 0 DGAARO C[C@@H](CCc1ccccc1)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000095468608 185372521 /nfs/dbraw/zinc/37/25/21/185372521.db2.gz FGCPYRFCQDSNJZ-IBGZPJMESA-N 1 0 323.484 3.468 50 0 DGAARO C[C@H](C[NH2+]Cc1ccc(Br)cc1)Oc1ccccn1 ZINC000095472045 185372549 /nfs/dbraw/zinc/37/25/49/185372549.db2.gz IGNAEEZEMCNXFV-GFCCVEGCSA-N 1 0 321.218 3.401 50 0 DGAARO c1ccc(-c2noc(-c3ccccc3O[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000169676417 197747334 /nfs/dbraw/zinc/74/73/34/197747334.db2.gz LKXBWGVTYSPDPH-CQSZACIVSA-N 1 0 307.353 3.144 50 0 DGAARO Cc1ccccc1CNC(=O)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817943 432010191 /nfs/dbraw/zinc/01/01/91/432010191.db2.gz WIBIYKQHHFDXTG-UHFFFAOYSA-N 1 0 320.436 3.444 50 0 DGAARO CC(C)c1ccc2cc(C(=O)N3CCC[C@@H](CC[NH3+])C3)[nH]c2c1 ZINC000071752152 191023277 /nfs/dbraw/zinc/02/32/77/191023277.db2.gz RDNAARDJVVRDMJ-AWEZNQCLSA-N 1 0 313.445 3.492 50 0 DGAARO OCc1ccc(-c2nccn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000071759420 191026535 /nfs/dbraw/zinc/02/65/35/191026535.db2.gz OUFWGGKNHHESJQ-MRXNPFEDSA-N 1 0 323.396 3.082 50 0 DGAARO C[C@@H](NC(=O)CC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1)c1ccccc1 ZINC000072139000 191047638 /nfs/dbraw/zinc/04/76/38/191047638.db2.gz WCNOAJCHTVQYLQ-FTWQHDNSSA-N 1 0 312.457 3.232 50 0 DGAARO C[NH+](C)CCNc1cc(-c2nccc3occc32)c2cc[nH]c2n1 ZINC000072146202 191052780 /nfs/dbraw/zinc/05/27/80/191052780.db2.gz SBVANPOJCFGIBO-UHFFFAOYSA-N 1 0 321.384 3.345 50 0 DGAARO CC(=O)c1ccccc1-c1cc(NCC[NH+](C)C)nc2[nH]ccc21 ZINC000072146512 191053853 /nfs/dbraw/zinc/05/38/53/191053853.db2.gz LOOMCAZCGOFOOQ-UHFFFAOYSA-N 1 0 322.412 3.406 50 0 DGAARO C[C@H](C[N@@H+]1CCCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000072150357 191056217 /nfs/dbraw/zinc/05/62/17/191056217.db2.gz WZFQBRUEOPOGLR-GOSISDBHSA-N 1 0 309.457 3.393 50 0 DGAARO COc1ccc(Cc2nc(-c3ccccc3)c3n2CC[NH2+]C3)cc1 ZINC000072233723 191078843 /nfs/dbraw/zinc/07/88/43/191078843.db2.gz SIYOHSNOUUOGHU-UHFFFAOYSA-N 1 0 319.408 3.253 50 0 DGAARO Cc1ccc(Oc2ccc(C(=O)NCCC[NH+](C)C)o2)cc1 ZINC000072260092 191089111 /nfs/dbraw/zinc/08/91/11/191089111.db2.gz BJFLDXMRLWCVQR-UHFFFAOYSA-N 1 0 302.374 3.062 50 0 DGAARO O[C@H](C[NH2+]Cc1cc(Br)cs1)c1ccsc1 ZINC000164291151 186154979 /nfs/dbraw/zinc/15/49/79/186154979.db2.gz XVYUQEDITAIQSS-LLVKDONJSA-N 1 0 318.261 3.395 50 0 DGAARO Fc1ccccc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000072299855 191114479 /nfs/dbraw/zinc/11/44/79/191114479.db2.gz XYDAQHZKTBIMSZ-AWEZNQCLSA-N 1 0 301.365 3.466 50 0 DGAARO CCN(c1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1)C(C)C ZINC000225597231 186281777 /nfs/dbraw/zinc/28/17/77/186281777.db2.gz ZNJRIAWGXASVIO-UHFFFAOYSA-N 1 0 317.477 3.135 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000237443030 186289902 /nfs/dbraw/zinc/28/99/02/186289902.db2.gz UDIWNJRHHGIEFV-AAEUAGOBSA-N 1 0 317.820 3.088 50 0 DGAARO CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(CCC(C)(C)O)cc1 ZINC000072420936 191156278 /nfs/dbraw/zinc/15/62/78/191156278.db2.gz JCHZZOQGDKMBPB-MOPGFXCFSA-N 1 0 316.489 3.059 50 0 DGAARO c1cnc(N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)cn1 ZINC000072431424 191162297 /nfs/dbraw/zinc/16/22/97/191162297.db2.gz UFQLHZXMLWOCIJ-IBGZPJMESA-N 1 0 314.477 3.349 50 0 DGAARO Clc1cccnc1N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000072434868 191165451 /nfs/dbraw/zinc/16/54/51/191165451.db2.gz REEYNTYJRWKNIZ-KRWDZBQOSA-N 1 0 305.853 3.437 50 0 DGAARO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000000130612 180702734 /nfs/dbraw/zinc/70/27/34/180702734.db2.gz SOXSDIKJHXTJEP-UHFFFAOYSA-N 1 0 304.434 3.423 50 0 DGAARO O=C(Nc1cccc(C(F)(F)F)c1)O[C@H]1C[NH+]2CCC1CC2 ZINC000000129790 180703031 /nfs/dbraw/zinc/70/30/31/180703031.db2.gz ICRZZDIEZKUSAH-ZDUSSCGKSA-N 1 0 314.307 3.348 50 0 DGAARO O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[NH+]2CCC1CC2 ZINC000000129792 180703048 /nfs/dbraw/zinc/70/30/48/180703048.db2.gz ICRZZDIEZKUSAH-CYBMUJFWSA-N 1 0 314.307 3.348 50 0 DGAARO c1nc(CN2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000072457568 191172491 /nfs/dbraw/zinc/17/24/91/191172491.db2.gz UMWGYQKMLXOKIC-FQEVSTJZSA-N 1 0 324.472 3.288 50 0 DGAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cscn1 ZINC000107359320 432030854 /nfs/dbraw/zinc/03/08/54/432030854.db2.gz QWBDBTSRRWQFPY-MAUKXSAKSA-N 1 0 315.486 3.486 50 0 DGAARO c1cnn(-c2cccc(-c3nccn3CC[NH+]3CCCCC3)c2)c1 ZINC000067458362 432031653 /nfs/dbraw/zinc/03/16/53/432031653.db2.gz IHVSGFNWYYPRJA-UHFFFAOYSA-N 1 0 321.428 3.222 50 0 DGAARO CCOC(=O)[C@@]1(Cc2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000002513090 180929043 /nfs/dbraw/zinc/92/90/43/180929043.db2.gz CYWNDWUSSYSXTQ-OAHLLOKOSA-N 1 0 316.228 3.469 50 0 DGAARO CCCC[NH2+]CCOc1ccc(I)cc1 ZINC000002932139 180970970 /nfs/dbraw/zinc/97/09/70/180970970.db2.gz OOYYOVZFDHMLOQ-UHFFFAOYSA-N 1 0 319.186 3.060 50 0 DGAARO C[C@H](c1ccncc1)N(C)C(=O)CC[NH+]1CCCCCCC1 ZINC000067673089 432034343 /nfs/dbraw/zinc/03/43/43/432034343.db2.gz HSZXKBDFGOESHM-MRXNPFEDSA-N 1 0 303.450 3.257 50 0 DGAARO COCCC[NH2+]CCOCCOc1c(C)cccc1C(C)(C)C ZINC000003001093 180976096 /nfs/dbraw/zinc/97/60/96/180976096.db2.gz ACLLAPKZKHTGJE-UHFFFAOYSA-N 1 0 323.477 3.314 50 0 DGAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000067674173 432034784 /nfs/dbraw/zinc/03/47/84/432034784.db2.gz CFOUIWMYGRZAQO-QGZVFWFLSA-N 1 0 310.441 3.496 50 0 DGAARO COc1ccc(/C=C/C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000003029695 180978196 /nfs/dbraw/zinc/97/81/96/180978196.db2.gz XVECWTWSMNSSSQ-FMIVXFBMSA-N 1 0 316.445 3.091 50 0 biogenic DGAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1cccc(Br)c1 ZINC000003314822 181003884 /nfs/dbraw/zinc/00/38/84/181003884.db2.gz ACFLOIFUNORNFY-LLVKDONJSA-N 1 0 314.223 3.336 50 0 DGAARO COCCC[NH2+]CCCCOc1cccc(Br)c1 ZINC000003461095 181023465 /nfs/dbraw/zinc/02/34/65/181023465.db2.gz YRPGLMIBFBCSQA-UHFFFAOYSA-N 1 0 316.239 3.234 50 0 DGAARO COCCC[NH2+]CCOCCSc1ccc(Cl)cc1 ZINC000003462093 181023680 /nfs/dbraw/zinc/02/36/80/181023680.db2.gz FQFVOMNQSZAVLR-UHFFFAOYSA-N 1 0 303.855 3.075 50 0 DGAARO CCCOc1ccc(CSC(N)=[NH2+])cc1Br ZINC000004008330 181061970 /nfs/dbraw/zinc/06/19/70/181061970.db2.gz MRQDMKPWDNDPKW-UHFFFAOYSA-N 1 0 303.225 3.365 50 0 DGAARO [NH3+][C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000004240306 181087090 /nfs/dbraw/zinc/08/70/90/181087090.db2.gz YDERCVMXEPKIML-CQSZACIVSA-N 1 0 322.408 3.359 50 0 DGAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(CO)CC1 ZINC000067757436 432038815 /nfs/dbraw/zinc/03/88/15/432038815.db2.gz CBYGYPVXYYKXQG-UHFFFAOYSA-N 1 0 300.402 3.163 50 0 DGAARO COc1ccc(-c2noc(C[NH2+]C3CCCCC3)n2)cc1OC ZINC000004487208 181113835 /nfs/dbraw/zinc/11/38/35/181113835.db2.gz ONVFPWHQKXOAKX-UHFFFAOYSA-N 1 0 317.389 3.176 50 0 DGAARO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004679979 181135739 /nfs/dbraw/zinc/13/57/39/181135739.db2.gz SRFBRNWESNSTHX-UHFFFAOYSA-N 1 0 308.853 3.468 50 0 DGAARO COc1cc(CNc2[nH+]cc(-c3ccccc3)n2C)ccc1O 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C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000004743716 181146248 /nfs/dbraw/zinc/14/62/48/181146248.db2.gz ICPJEETURVEFIB-HUUCEWRRSA-N 1 0 300.446 3.482 50 0 DGAARO CC(=O)c1cccc(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004842047 181161015 /nfs/dbraw/zinc/16/10/15/181161015.db2.gz SIVUATMTRVVQHA-IYBDPMFKSA-N 1 0 319.445 3.263 50 0 DGAARO CCc1c2ccccc2[nH]c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000067851300 432044191 /nfs/dbraw/zinc/04/41/91/432044191.db2.gz MYEIHOZXZPZGPH-CQSZACIVSA-N 1 0 313.445 3.192 50 0 DGAARO CCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000004867869 181165752 /nfs/dbraw/zinc/16/57/52/181165752.db2.gz UIEVZLNNPTZYGG-UHFFFAOYSA-N 1 0 302.212 3.356 50 0 DGAARO CC[N@@H+]1CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000004952822 181179115 /nfs/dbraw/zinc/17/91/15/181179115.db2.gz HGHSAQKKTCGYPM-ICSRJNTNSA-N 1 0 309.409 3.099 50 0 DGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(OC)cc2C)C1 ZINC000004990276 181185723 /nfs/dbraw/zinc/18/57/23/181185723.db2.gz 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OCC[C@@H]1C[N@H+](CC2CCCCC2)CCN1Cc1ccccc1 ZINC000023129911 182349793 /nfs/dbraw/zinc/34/97/93/182349793.db2.gz ZLMIRDVHICHCSB-HXUWFJFHSA-N 1 0 316.489 3.136 50 0 DGAARO OCC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000023358823 182358470 /nfs/dbraw/zinc/35/84/70/182358470.db2.gz QUOSOKINFHFVDH-AQDCRGGLSA-N 1 0 314.473 3.011 50 0 DGAARO COc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000024239987 182377064 /nfs/dbraw/zinc/37/70/64/182377064.db2.gz GHNMPWWCCMECLU-UHFFFAOYSA-N 1 0 305.422 3.126 50 0 DGAARO O=C(CC[NH+]1CCCCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000024716545 182389019 /nfs/dbraw/zinc/38/90/19/182389019.db2.gz MDWHWZJLJKCKJW-UHFFFAOYSA-N 1 0 318.417 3.053 50 0 DGAARO CCC(C)(C)[NH2+]Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000032513506 182646049 /nfs/dbraw/zinc/64/60/49/182646049.db2.gz JGEFXOOIEWGZQP-UHFFFAOYSA-N 1 0 302.374 3.030 50 0 DGAARO O=C(OCc1ccccc1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000038983643 183013237 /nfs/dbraw/zinc/01/32/37/183013237.db2.gz YJUMROPNGLKOPI-UHFFFAOYSA-N 1 0 322.408 3.465 50 0 DGAARO O=C(/C=C/c1ccco1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000040013506 183028174 /nfs/dbraw/zinc/02/81/74/183028174.db2.gz IIMQIXYBBCITAX-ZGKFYVQTSA-N 1 0 310.397 3.246 50 0 DGAARO Cc1cc(C)cc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000039400484 183018146 /nfs/dbraw/zinc/01/81/46/183018146.db2.gz MPPKHPANNQCGJP-LJQANCHMSA-N 1 0 318.505 3.218 50 0 DGAARO CSCc1cccc(C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000040108073 183036337 /nfs/dbraw/zinc/03/63/37/183036337.db2.gz MLSHJRMSKZJLEL-UHFFFAOYSA-N 1 0 306.475 3.011 50 0 DGAARO CSCc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000040108057 183036471 /nfs/dbraw/zinc/03/64/71/183036471.db2.gz UHDUUSNSGNEZNE-UHFFFAOYSA-N 1 0 306.475 3.011 50 0 DGAARO CSc1ccccc1C(=O)NCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000040107574 183036604 /nfs/dbraw/zinc/03/66/04/183036604.db2.gz MJKYGBUBLWJEDC-ZIAGYGMSSA-N 1 0 306.475 3.116 50 0 DGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000040596153 183106622 /nfs/dbraw/zinc/10/66/22/183106622.db2.gz 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/nfs/dbraw/zinc/11/88/06/194118806.db2.gz GNPPSBHLDDRRRQ-UONOGXRCSA-N 1 0 321.490 3.245 50 0 DGAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2sccc21 ZINC000106139193 194186800 /nfs/dbraw/zinc/18/68/00/194186800.db2.gz WGOXKOHSIWMOAW-UPJWGTAASA-N 1 0 304.463 3.470 50 0 DGAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000048364695 183651358 /nfs/dbraw/zinc/65/13/58/183651358.db2.gz KSCHEYXUUXZVAJ-AWEZNQCLSA-N 1 0 314.410 3.493 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000053371300 183899897 /nfs/dbraw/zinc/89/98/97/183899897.db2.gz CADKUKCJWMQRJH-WMLDXEAASA-N 1 0 318.461 3.325 50 0 DGAARO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(=O)N1CCc2ccccc21 ZINC000057383650 184037031 /nfs/dbraw/zinc/03/70/31/184037031.db2.gz OWAFKTDKZALUID-KBPBESRZSA-N 1 0 312.388 3.454 50 0 DGAARO CN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000058029102 184069554 /nfs/dbraw/zinc/06/95/54/184069554.db2.gz RUXOXXNXNWFYGW-LJQANCHMSA-N 1 0 308.425 3.357 50 0 DGAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000058307382 184103564 /nfs/dbraw/zinc/10/35/64/184103564.db2.gz FMOGYZJWCPYLNW-UHFFFAOYSA-N 1 0 313.445 3.362 50 0 DGAARO COc1c(C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)c(C(C)C)nn1C ZINC000058421526 184115721 /nfs/dbraw/zinc/11/57/21/184115721.db2.gz LEEBKBCHHBKOQZ-GOEBONIOSA-N 1 0 317.408 3.337 50 0 DGAARO O=C(C[NH2+]Cc1cccc(Cl)c1)N1CCc2ccccc2C1 ZINC000058445894 184119045 /nfs/dbraw/zinc/11/90/45/184119045.db2.gz FCMSAVZHGZIDNS-UHFFFAOYSA-N 1 0 314.816 3.015 50 0 DGAARO COc1cccc([C@@H](CNc2cc(Cl)nc(C)n2)[NH+](C)C)c1 ZINC000060340059 184146636 /nfs/dbraw/zinc/14/66/36/184146636.db2.gz QVMIONVZXJJHIL-CQSZACIVSA-N 1 0 320.824 3.162 50 0 DGAARO c1ccc(CC[NH+]2CCN(c3nc4cccnc4s3)CC2)cc1 ZINC000059671161 184140174 /nfs/dbraw/zinc/14/01/74/184140174.db2.gz VTEFNVUORQIXJU-UHFFFAOYSA-N 1 0 324.453 3.056 50 0 DGAARO C[C@H](Cc1ccsc1)NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000062642000 184246826 /nfs/dbraw/zinc/24/68/26/184246826.db2.gz 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Cc1cc(C)n(CCC[NH2+]C2CCN(c3ccccc3)CC2)n1 ZINC000156381433 197108435 /nfs/dbraw/zinc/10/84/35/197108435.db2.gz ABSSJXZZMKQATI-UHFFFAOYSA-N 1 0 312.461 3.149 50 0 DGAARO CC[N@@H+]1CCC[C@@H](CN(CCOC)Cc2ccc(F)cc2)C1 ZINC000218968479 285228598 /nfs/dbraw/zinc/22/85/98/285228598.db2.gz PWTVCIYPJUHZJG-QGZVFWFLSA-N 1 0 308.441 3.006 50 0 DGAARO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000520723068 257235294 /nfs/dbraw/zinc/23/52/94/257235294.db2.gz JDZBWUVMOAFAAT-INMHGKMJSA-N 1 0 318.461 3.224 50 0 DGAARO CC(C)=CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365163228 257235510 /nfs/dbraw/zinc/23/55/10/257235510.db2.gz ONUPMRGQPCHQLI-DOTOQJQBSA-N 1 0 305.466 3.001 50 0 DGAARO COc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1-c1ccccc1 ZINC000237122626 257239368 /nfs/dbraw/zinc/23/93/68/257239368.db2.gz DEZLUUGGIALYHM-PBHICJAKSA-N 1 0 324.424 3.314 50 0 DGAARO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000240555857 257259423 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CCOCC1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000584899452 400123614 /nfs/dbraw/zinc/12/36/14/400123614.db2.gz LJTXEIJIISBGPF-SFHVURJKSA-N 1 0 306.425 3.153 50 0 DGAARO CC(=O)CCc1ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020639382 400190309 /nfs/dbraw/zinc/19/03/09/400190309.db2.gz AXLNUSIWMWQBRJ-IAGOWNOFSA-N 1 0 319.445 3.086 50 0 DGAARO CCOC(=O)[C@]1(c2ccccc2)C[C@@H](CC)C=C[C@H]1[NH+](C)C ZINC000096028065 400274425 /nfs/dbraw/zinc/27/44/25/400274425.db2.gz WZJMDVVXTPWBRB-WDYCEAGBSA-N 1 0 301.430 3.404 50 0 DGAARO Cn1cc(-c2cccc(CNc3cc(C[NH+](C)C)ccn3)c2)cn1 ZINC000097231811 400284421 /nfs/dbraw/zinc/28/44/21/400284421.db2.gz DAPJOZSFERPAOU-UHFFFAOYSA-N 1 0 321.428 3.156 50 0 DGAARO Cn1ccnc1C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372120 400285426 /nfs/dbraw/zinc/28/54/26/400285426.db2.gz JPTCXEGUKDRYAT-CYBMUJFWSA-N 1 0 309.335 3.428 50 0 DGAARO CCOC(=O)N[C@@H](C[NH2+]Cc1c(C)cc(C)cc1C)C1CC1 ZINC000072289900 400378793 /nfs/dbraw/zinc/37/87/93/400378793.db2.gz 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318.465 3.449 50 0 DGAARO O=C(Cc1ccsc1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012224024 431496865 /nfs/dbraw/zinc/49/68/65/431496865.db2.gz FPGVSZWFCFXGQI-KRWDZBQOSA-N 1 0 320.502 3.452 50 0 DGAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000012289058 431500209 /nfs/dbraw/zinc/50/02/09/431500209.db2.gz CLDPFFQOCOTUIH-CYAQNONDSA-N 1 0 321.505 3.455 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000012382537 431503272 /nfs/dbraw/zinc/50/32/72/431503272.db2.gz HPHZBZDAZZWHDM-UHFFFAOYSA-N 1 0 306.475 3.230 50 0 DGAARO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012505286 431511595 /nfs/dbraw/zinc/51/15/95/431511595.db2.gz FBRUCPZAISLOOV-UHFFFAOYSA-N 1 0 309.413 3.473 50 0 DGAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](CC2CC2)CC1 ZINC000013595704 431561735 /nfs/dbraw/zinc/56/17/35/431561735.db2.gz XVKZQYMBOMQCBP-UHFFFAOYSA-N 1 0 319.420 3.424 50 0 DGAARO COc1ccc(OCCCSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000012971427 431537289 /nfs/dbraw/zinc/53/72/89/431537289.db2.gz 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C[NH+](C)Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000031232297 431755534 /nfs/dbraw/zinc/75/55/34/431755534.db2.gz AKVMLYWIOALAIM-UHFFFAOYSA-N 1 0 320.396 3.186 50 0 DGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000031337866 431756280 /nfs/dbraw/zinc/75/62/80/431756280.db2.gz YNSIFMWWZIBUAG-UHFFFAOYSA-N 1 0 314.816 3.128 50 0 DGAARO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC000029219264 431716427 /nfs/dbraw/zinc/71/64/27/431716427.db2.gz CQZADGPNEJHRON-OAHLLOKOSA-N 1 0 317.433 3.216 50 0 DGAARO C[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032779374 431790596 /nfs/dbraw/zinc/79/05/96/431790596.db2.gz RDTJYYSKQKYZCL-INIZCTEOSA-N 1 0 315.461 3.235 50 0 DGAARO Cc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000033128975 431808661 /nfs/dbraw/zinc/80/86/61/431808661.db2.gz WGYAEOFLIIAYJF-UHFFFAOYSA-N 1 0 313.376 3.384 50 0 DGAARO CCCC[NH2+][C@@H](CN1CCCCC1)Oc1ccccc1OC ZINC000033619183 431814786 /nfs/dbraw/zinc/81/47/86/431814786.db2.gz XGVSPFYWCCLYBO-GOSISDBHSA-N 1 0 306.450 3.276 50 0 DGAARO c1nc2c([nH]1)[C@@H](c1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000032109451 431774268 /nfs/dbraw/zinc/77/42/68/431774268.db2.gz IPORPIQXJQGXGV-GOSISDBHSA-N 1 0 305.381 3.224 50 0 biogenic DGAARO Cc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000084148784 431817745 /nfs/dbraw/zinc/81/77/45/431817745.db2.gz FXQKLJFGBGTUDV-ICSRJNTNSA-N 1 0 322.452 3.476 50 0 DGAARO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2nncn2C2CCCC2)nc1 ZINC000032578109 431781654 /nfs/dbraw/zinc/78/16/54/431781654.db2.gz NFRSPWKEZIUEQV-LSDHHAIUSA-N 1 0 313.449 3.378 50 0 DGAARO COc1cccc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000036847534 431842177 /nfs/dbraw/zinc/84/21/77/431842177.db2.gz GNPPSBHLDDRRRQ-KBPBESRZSA-N 1 0 321.490 3.245 50 0 DGAARO COc1ccc([C@H](C)[NH2+]C2CCOCC2)cc1Br ZINC000037105856 431843705 /nfs/dbraw/zinc/84/37/05/431843705.db2.gz LXPHTMMXDYRKFT-JTQLQIEISA-N 1 0 314.223 3.287 50 0 DGAARO CN(C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)C1CCCCC1 ZINC000040049994 431856243 /nfs/dbraw/zinc/85/62/43/431856243.db2.gz SUBZPHHVPDHSSI-GOSISDBHSA-N 1 0 300.446 3.397 50 0 DGAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1c(F)cccc1Cl ZINC000040286030 431856844 /nfs/dbraw/zinc/85/68/44/431856844.db2.gz POYCKBAKVBLREV-NVXWUHKLSA-N 1 0 316.763 3.404 50 0 DGAARO Fc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000041509677 431859190 /nfs/dbraw/zinc/85/91/90/431859190.db2.gz FLPIBUHDPHARRB-UHFFFAOYSA-N 1 0 300.377 3.027 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](SCC)C2)CC1 ZINC000089158146 431860421 /nfs/dbraw/zinc/86/04/21/431860421.db2.gz NZVOBAIRMZZHBS-HUUCEWRRSA-N 1 0 314.495 3.261 50 0 DGAARO CC[C@H](O)C[N@H+](CCC(C)C)Cc1ccc(OC)c(OC)c1 ZINC000036096141 431835433 /nfs/dbraw/zinc/83/54/33/431835433.db2.gz BWPPXPDGNITMLS-INIZCTEOSA-N 1 0 309.450 3.323 50 0 DGAARO CC[C@@H](O)C[N@H+](CCC(C)C)Cc1cc(OC)cc(OC)c1 ZINC000036095147 431835693 /nfs/dbraw/zinc/83/56/93/431835693.db2.gz OJDHZBKUDIMYEL-MRXNPFEDSA-N 1 0 309.450 3.323 50 0 DGAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C2CC2)cc1 ZINC000036101853 431836110 /nfs/dbraw/zinc/83/61/10/431836110.db2.gz CJMPCEUEJMEFOC-LJQANCHMSA-N 1 0 311.425 3.399 50 0 DGAARO CC(C)OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000036103234 431836802 /nfs/dbraw/zinc/83/68/02/431836802.db2.gz IJGZAKAHXNDZHM-KRWDZBQOSA-N 1 0 303.402 3.068 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCc2ccccc2)C1 ZINC000047416252 431910006 /nfs/dbraw/zinc/91/00/06/431910006.db2.gz PVDZAGUHQXXYCC-IAGOWNOFSA-N 1 0 302.462 3.103 50 0 DGAARO Cc1cnc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)s1 ZINC000048053961 431918269 /nfs/dbraw/zinc/91/82/69/431918269.db2.gz JLUNKWASWCOTHN-ZDUSSCGKSA-N 1 0 322.409 3.015 50 0 DGAARO Fc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c2ncccc12 ZINC000048262021 431921097 /nfs/dbraw/zinc/92/10/97/431921097.db2.gz FBGMNMVYLFZYJF-ZDUSSCGKSA-N 1 0 300.377 3.375 50 0 DGAARO Cc1csc(=O)n1CC[N@H+](C)CCCCc1ccccc1 ZINC000048299702 431922166 /nfs/dbraw/zinc/92/21/66/431922166.db2.gz JOFRPVWDFDUSCB-UHFFFAOYSA-N 1 0 304.459 3.173 50 0 DGAARO C[C@H]1C[C@H]1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048303126 431922869 /nfs/dbraw/zinc/92/28/69/431922869.db2.gz JGYJECHCDULUBN-CYJAXWMASA-N 1 0 314.473 3.437 50 0 DGAARO C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000048309535 431922915 /nfs/dbraw/zinc/92/29/15/431922915.db2.gz HATJZHBAHYJBGH-RDJZCZTQSA-N 1 0 318.436 3.439 50 0 DGAARO O=C(NC1Cc2ccccc2C1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095362820 431923031 /nfs/dbraw/zinc/92/30/31/431923031.db2.gz RNZFWWQVXYQHIG-IBGZPJMESA-N 1 0 320.436 3.051 50 0 DGAARO CSCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048310691 431923059 /nfs/dbraw/zinc/92/30/59/431923059.db2.gz HVBBBHVIJWNYEM-GJZGRUSLSA-N 1 0 320.502 3.144 50 0 DGAARO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000048324909 431923685 /nfs/dbraw/zinc/92/36/85/431923685.db2.gz SFPFDTJFKBPYIZ-RBSFLKMASA-N 1 0 306.475 3.390 50 0 DGAARO CN(C/C=C/c1ccccc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095372863 431924316 /nfs/dbraw/zinc/92/43/16/431924316.db2.gz SSGWNJCQYVMJJZ-VEGGFIAOSA-N 1 0 300.446 3.423 50 0 DGAARO CSc1ccc(C)c(C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000048363376 431924652 /nfs/dbraw/zinc/92/46/52/431924652.db2.gz XQGBYJUYUVWDHE-UHFFFAOYSA-N 1 0 306.475 3.179 50 0 DGAARO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2cnccn2)c(Cl)c1 ZINC000089669760 431874803 /nfs/dbraw/zinc/87/48/03/431874803.db2.gz YIAQBPXAIZAHCZ-GFCCVEGCSA-N 1 0 318.808 3.118 50 0 DGAARO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)ccc1SC ZINC000089729410 431876063 /nfs/dbraw/zinc/87/60/63/431876063.db2.gz AIHKBARRUJRGPM-GXTWGEPZSA-N 1 0 322.474 3.077 50 0 DGAARO O=C(CCc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000089783545 431879187 /nfs/dbraw/zinc/87/91/87/431879187.db2.gz RVOOQHCLRIDBLS-MRXNPFEDSA-N 1 0 320.864 3.217 50 0 DGAARO C[C@H]([NH2+]CCc1ccccn1)c1c(Cl)nc2sccn21 ZINC000095427050 431925407 /nfs/dbraw/zinc/92/54/07/431925407.db2.gz MTCOJAPGGCVFMU-JTQLQIEISA-N 1 0 306.822 3.338 50 0 DGAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000045305086 431884199 /nfs/dbraw/zinc/88/41/99/431884199.db2.gz XTMAIBRXPYCULD-SFHVURJKSA-N 1 0 315.461 3.094 50 0 DGAARO CC[N@@H+]1CCc2c(cccc2NC(=O)N(C)[C@H]2CCSC2)C1 ZINC000089977372 431887105 /nfs/dbraw/zinc/88/71/05/431887105.db2.gz AEFHLBLXFCPHNP-AWEZNQCLSA-N 1 0 319.474 3.034 50 0 DGAARO CC1CCC2(CC1)NCC[NH+]=C2NCc1cc(F)cc(F)c1 ZINC000046153078 431894978 /nfs/dbraw/zinc/89/49/78/431894978.db2.gz DBGOGGMJPGSSMS-UHFFFAOYSA-N 1 0 307.388 3.005 50 0 biogenic DGAARO CCOC(=O)C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000046502186 431898244 /nfs/dbraw/zinc/89/82/44/431898244.db2.gz WWHRHLVDDDLRJZ-UHFFFAOYSA-N 1 0 316.376 3.149 50 0 DGAARO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccnn2C)CC1 ZINC000091085070 431901650 /nfs/dbraw/zinc/90/16/50/431901650.db2.gz WOFQFHKOFZNBFG-UHFFFAOYSA-N 1 0 323.444 3.169 50 0 DGAARO O=C(Nc1nc2ccccc2s1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047104882 431906479 /nfs/dbraw/zinc/90/64/79/431906479.db2.gz IYTOJXVQFBETDF-WCQYABFASA-N 1 0 316.430 3.045 50 0 DGAARO C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000097527282 431970688 /nfs/dbraw/zinc/97/06/88/431970688.db2.gz LLTOIOYSDMDLMX-INIZCTEOSA-N 1 0 324.827 3.454 50 0 DGAARO COc1ccc(OCC2CC[NH+](Cc3cnc(C)[nH]3)CC2)cc1 ZINC000097499463 431970944 /nfs/dbraw/zinc/97/09/44/431970944.db2.gz GOLMMRKJQKITIX-UHFFFAOYSA-N 1 0 315.417 3.018 50 0 DGAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3nc4ccccc4nc3C)C2)n1 ZINC000097522601 431971128 /nfs/dbraw/zinc/97/11/28/431971128.db2.gz ILGOOLRUAUPAHV-MRXNPFEDSA-N 1 0 321.428 3.199 50 0 DGAARO Cc1c2ccc(C)cc2oc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000097572191 431971905 /nfs/dbraw/zinc/97/19/05/431971905.db2.gz FOBWYDVFDLDDFO-LSDHHAIUSA-N 1 0 312.413 3.216 50 0 DGAARO O=C(Nc1ccccc1Cl)N1CC[C@@H](Oc2ccncc2)C1 ZINC000127497487 431973023 /nfs/dbraw/zinc/97/30/23/431973023.db2.gz VGYHDIBZQVOWKT-CYBMUJFWSA-N 1 0 317.776 3.420 50 0 DGAARO CCN(Cc1ccc(C[NH+]2CCCC2)s1)Cc1noc(C)n1 ZINC000097756551 431974176 /nfs/dbraw/zinc/97/41/76/431974176.db2.gz BKHVXANAQBIKJE-UHFFFAOYSA-N 1 0 320.462 3.057 50 0 DGAARO COc1ccccc1-n1cc(C[N@H+](C)C2CCSCC2)cn1 ZINC000097785298 431974747 /nfs/dbraw/zinc/97/47/47/431974747.db2.gz LOQVOJZRZHLDEC-UHFFFAOYSA-N 1 0 317.458 3.208 50 0 DGAARO CC[C@@H](C)[N@H+](Cc1cccn1-c1ncccn1)Cc1ccncc1 ZINC000055384708 431980962 /nfs/dbraw/zinc/98/09/62/431980962.db2.gz QFWKBSNDRWMPFW-MRXNPFEDSA-N 1 0 321.428 3.463 50 0 DGAARO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000095962185 431928914 /nfs/dbraw/zinc/92/89/14/431928914.db2.gz PANYFBVDPYMPBC-KRWDZBQOSA-N 1 0 312.413 3.182 50 0 DGAARO Cc1cc(C)cc([C@H](O)C[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000095965202 431929075 /nfs/dbraw/zinc/92/90/75/431929075.db2.gz UYESOIUELOTHOM-QGZVFWFLSA-N 1 0 306.837 3.461 50 0 DGAARO O[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000095967960 431929303 /nfs/dbraw/zinc/92/93/03/431929303.db2.gz YJUDVJKXFHVFQC-ZWKOTPCHSA-N 1 0 322.880 3.198 50 0 DGAARO COc1ccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1F ZINC000095968113 431929815 /nfs/dbraw/zinc/92/98/15/431929815.db2.gz PMYRZIPWMLDMFS-PRWKNARSSA-N 1 0 301.427 3.032 50 0 DGAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000048685185 431930774 /nfs/dbraw/zinc/93/07/74/431930774.db2.gz MNUFPOYYYOQTRV-UHFFFAOYSA-N 1 0 323.444 3.078 50 0 DGAARO Cc1nccn1-c1ccc(CNCc2cc(F)ccc2F)cn1 ZINC000048782584 431932312 /nfs/dbraw/zinc/93/23/12/431932312.db2.gz CXTNURLDRMRJFC-UHFFFAOYSA-N 1 0 314.339 3.144 50 0 DGAARO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@]3(O)CCSC3)oc21 ZINC000095987978 431932354 /nfs/dbraw/zinc/93/23/54/431932354.db2.gz USNLNJRCEHFWJM-PXAZEXFGSA-N 1 0 321.442 3.350 50 0 DGAARO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)c3ccncc3)oc21 ZINC000095988115 431932934 /nfs/dbraw/zinc/93/29/34/431932934.db2.gz FHCLLKVUKLLMQS-IUODEOHRSA-N 1 0 312.369 3.221 50 0 DGAARO COc1cccc2cc([C@H](C)[NH2+]C[C@H](O)c3ccncc3)oc21 ZINC000095988112 431933038 /nfs/dbraw/zinc/93/30/38/431933038.db2.gz FHCLLKVUKLLMQS-WFASDCNBSA-N 1 0 312.369 3.221 50 0 DGAARO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000095989214 431933044 /nfs/dbraw/zinc/93/30/44/431933044.db2.gz SDLIGAWRQJWJJB-QGZVFWFLSA-N 1 0 303.446 3.287 50 0 DGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2cccc3cnccc32)C1 ZINC000096135661 431940039 /nfs/dbraw/zinc/94/00/39/431940039.db2.gz DFZJMIHICJWSKC-AWEZNQCLSA-N 1 0 324.428 3.325 50 0 DGAARO Cc1ccc(NC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)cc1F ZINC000096151366 431940225 /nfs/dbraw/zinc/94/02/25/431940225.db2.gz WGYVAWVWELTXON-CYBMUJFWSA-N 1 0 305.397 3.225 50 0 DGAARO Cc1ccc(C)c(C[NH+]2CC(c3nc(-c4cccnc4)no3)C2)c1 ZINC000049483711 431941215 /nfs/dbraw/zinc/94/12/15/431941215.db2.gz DNKIBZWUVJIPIJ-UHFFFAOYSA-N 1 0 320.396 3.348 50 0 DGAARO COc1ccccc1/C=C\C[NH2+]C1CCN(CC(F)F)CC1 ZINC000096297207 431943747 /nfs/dbraw/zinc/94/37/47/431943747.db2.gz TZWDGDGAJFOTPP-XQRVVYSFSA-N 1 0 310.388 3.028 50 0 DGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C\c2ccccc2F)C1 ZINC000096401834 431945536 /nfs/dbraw/zinc/94/55/36/431945536.db2.gz BRRBFZSELIDZRA-WOLCWHLNSA-N 1 0 318.436 3.466 50 0 DGAARO CCc1nc(C)c(C(=O)NCc2ccccc2C[NH+](C)C)s1 ZINC000050553377 431948420 /nfs/dbraw/zinc/94/84/20/431948420.db2.gz HSURGATZXYPTRT-UHFFFAOYSA-N 1 0 317.458 3.006 50 0 DGAARO Cc1ccc(CNCc2ccc(C)cc2O[C@@H]2CCOC2)o1 ZINC000096466776 431952144 /nfs/dbraw/zinc/95/21/44/431952144.db2.gz OEFCQYVNVWLTAM-QGZVFWFLSA-N 1 0 301.386 3.354 50 0 DGAARO C[C@H](CC1CCC1)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000096476574 431952693 /nfs/dbraw/zinc/95/26/93/431952693.db2.gz WLTKIMSPRBLDKB-OAHLLOKOSA-N 1 0 300.446 3.477 50 0 DGAARO Cn1cc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C2=CCCCC2)cn1 ZINC000096478466 431952704 /nfs/dbraw/zinc/95/27/04/431952704.db2.gz KOOBHURFQHPOJW-FGTMMUONSA-N 1 0 303.450 3.102 50 0 DGAARO CC(=O)Nc1cccc([C@@H](C)NCC[N@@H+](C(C)C)C2CC2)c1 ZINC000096477197 431952787 /nfs/dbraw/zinc/95/27/87/431952787.db2.gz PVMAVTYSPVBINC-CQSZACIVSA-N 1 0 303.450 3.168 50 0 DGAARO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000096479014 431952854 /nfs/dbraw/zinc/95/28/54/431952854.db2.gz LEMPSHJCHZIEQG-ZUZCIYMTSA-N 1 0 314.520 3.268 50 0 DGAARO C[C@@H](C[NH2+]C1CCN(C)CC1)c1cccc(Br)c1 ZINC000096489057 431953992 /nfs/dbraw/zinc/95/39/92/431953992.db2.gz SWYGZWAMYYFLNK-LBPRGKRZSA-N 1 0 311.267 3.236 50 0 DGAARO Cc1ncsc1C[NH+]1CCC(Nc2cccc(C)n2)CC1 ZINC000096490052 431954065 /nfs/dbraw/zinc/95/40/65/431954065.db2.gz UJKJWVPBNKZCHZ-UHFFFAOYSA-N 1 0 302.447 3.231 50 0 DGAARO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000097034474 431955925 /nfs/dbraw/zinc/95/59/25/431955925.db2.gz BCGZDQBKUYFISC-MNOVXSKESA-N 1 0 304.781 3.417 50 0 DGAARO Cc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000097032973 431956025 /nfs/dbraw/zinc/95/60/25/431956025.db2.gz YGZDUDPEWDTDPX-CYBMUJFWSA-N 1 0 315.392 3.396 50 0 DGAARO C/C=C1/C[N@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000096736501 431956133 /nfs/dbraw/zinc/95/61/33/431956133.db2.gz DTEXULLZKFAGHZ-XIYQPCRRSA-N 1 0 324.424 3.317 50 0 DGAARO Cn1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1=O ZINC000052515286 431956281 /nfs/dbraw/zinc/95/62/81/431956281.db2.gz QNSOSDTUPMPGJT-QGZVFWFLSA-N 1 0 302.805 3.280 50 0 DGAARO OC[C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)Cc1ccccn1 ZINC000097034628 431956921 /nfs/dbraw/zinc/95/69/21/431956921.db2.gz YOWIOKXKKQZEEK-KUHUBIRLSA-N 1 0 314.404 3.039 50 0 DGAARO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC(=O)N(C)C3)oc21 ZINC000097034556 431957219 /nfs/dbraw/zinc/95/72/19/431957219.db2.gz IKAFQMADPHBLLB-GXTWGEPZSA-N 1 0 316.401 3.103 50 0 DGAARO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccncc1 ZINC000097038855 431957353 /nfs/dbraw/zinc/95/73/53/431957353.db2.gz OGLILNQDAONHQJ-CQSZACIVSA-N 1 0 312.417 3.123 50 0 DGAARO OCc1ccccc1NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000097045785 431957696 /nfs/dbraw/zinc/95/76/96/431957696.db2.gz HOXZVLYPNGJGLD-UHFFFAOYSA-N 1 0 314.404 3.395 50 0 DGAARO C[N@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCOC1 ZINC000097048648 431958276 /nfs/dbraw/zinc/95/82/76/431958276.db2.gz NUFZQPPXZGRJCS-LBPRGKRZSA-N 1 0 321.218 3.218 50 0 DGAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Oc3ccccc3)o1)CC2 ZINC000097054722 431958509 /nfs/dbraw/zinc/95/85/09/431958509.db2.gz RYIGBIOLHZNVCN-AWEZNQCLSA-N 1 0 324.384 3.076 50 0 DGAARO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCCCc2ccccc2)on1 ZINC000053082570 431960298 /nfs/dbraw/zinc/96/02/98/431960298.db2.gz AGXVDZHWVSRNRJ-HNNXBMFYSA-N 1 0 315.417 3.265 50 0 DGAARO Cc1cccc(C2CC([NH2+][C@@H](C)C(=O)NCc3ccco3)C2)c1 ZINC000097108564 431961054 /nfs/dbraw/zinc/96/10/54/431961054.db2.gz OQZOFRYLHBNIPR-OOHWJJMZSA-N 1 0 312.413 3.129 50 0 DGAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000097095781 431961086 /nfs/dbraw/zinc/96/10/86/431961086.db2.gz FFJLTUBFEBEPSM-NEPJUHHUSA-N 1 0 311.451 3.069 50 0 DGAARO CCOCc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000097159361 431963383 /nfs/dbraw/zinc/96/33/83/431963383.db2.gz ZWPQLANIUFCJLP-UHFFFAOYSA-N 1 0 322.412 3.298 50 0 DGAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000097159791 431963571 /nfs/dbraw/zinc/96/35/71/431963571.db2.gz KVMDOQGHTPJHRQ-ZDUSSCGKSA-N 1 0 313.401 3.089 50 0 DGAARO O=C(C[C@@H]1CC[NH2+]C1)NCc1cccc(Oc2ccccc2)c1 ZINC000097172997 431963885 /nfs/dbraw/zinc/96/38/85/431963885.db2.gz USFNXGVFZRRAGO-INIZCTEOSA-N 1 0 310.397 3.095 50 0 DGAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)Nc1cccnc1 ZINC000097173174 431964096 /nfs/dbraw/zinc/96/40/96/431964096.db2.gz FVBJEPBZLWSNNM-UHFFFAOYSA-N 1 0 324.428 3.083 50 0 DGAARO S=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000053519608 431964249 /nfs/dbraw/zinc/96/42/49/431964249.db2.gz ZFWGTHPTTWUWRH-DLBZAZTESA-N 1 0 315.486 3.089 50 0 DGAARO O=c1[nH]c2ccccc2nc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000097201335 431964369 /nfs/dbraw/zinc/96/43/69/431964369.db2.gz WLPOQFFGEKVUMK-UHFFFAOYSA-N 1 0 305.381 3.088 50 0 DGAARO Cc1ccc(CNC2CC[NH+](C)CC2)c(OCc2ccco2)c1 ZINC000097228485 431965015 /nfs/dbraw/zinc/96/50/15/431965015.db2.gz YPSXYZGWNNJQHR-UHFFFAOYSA-N 1 0 314.429 3.351 50 0 DGAARO O=C(c1cccc(C[NH2+]C/C=C/c2ccco2)c1)N1CCCC1 ZINC000097230162 431965163 /nfs/dbraw/zinc/96/51/63/431965163.db2.gz VARABESNJATTOP-XBXARRHUSA-N 1 0 310.397 3.319 50 0 DGAARO CN(C)C(=O)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000097229831 431965236 /nfs/dbraw/zinc/96/52/36/431965236.db2.gz TUCOQUADQDJPPP-QGZVFWFLSA-N 1 0 318.367 3.274 50 0 DGAARO CCCOc1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1OC ZINC000097287735 431966731 /nfs/dbraw/zinc/96/67/31/431966731.db2.gz XBHJLWWYSJYXKX-INIZCTEOSA-N 1 0 320.477 3.448 50 0 DGAARO Cc1ccoc1C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000054119748 431967609 /nfs/dbraw/zinc/96/76/09/431967609.db2.gz CIUMYPPGJWOFBB-UHFFFAOYSA-N 1 0 300.402 3.358 50 0 DGAARO CCN(Cc1ccncc1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000097425082 431969008 /nfs/dbraw/zinc/96/90/08/431969008.db2.gz LKYVBLSUQRYJBT-IBGZPJMESA-N 1 0 323.440 3.211 50 0 DGAARO COc1ccc2[nH]c(CN3CC([NH+]4CCCCC4)C3)c(C)c2c1 ZINC000097468121 431969441 /nfs/dbraw/zinc/96/94/41/431969441.db2.gz WVACPGDGXKWCRC-UHFFFAOYSA-N 1 0 313.445 3.155 50 0 DGAARO Cn1c2ccc(Cl)cc2nc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000097490652 431969561 /nfs/dbraw/zinc/96/95/61/431969561.db2.gz XKIIMRVKJNVTBA-LBPRGKRZSA-N 1 0 319.836 3.228 50 0 DGAARO Cc1cccc(N2C(=O)C[C@@H]([NH2+]CCC3=CCCCC3)C2=O)c1 ZINC000100936791 431983320 /nfs/dbraw/zinc/98/33/20/431983320.db2.gz AQQANUXGXYAPAO-QGZVFWFLSA-N 1 0 312.413 3.107 50 0 DGAARO COc1ccccc1N1CC[NH+](Cc2sccc2C)CC1 ZINC000055542960 431983834 /nfs/dbraw/zinc/98/38/34/431983834.db2.gz QZLGFQDZFXWZBV-UHFFFAOYSA-N 1 0 302.443 3.387 50 0 DGAARO CC(C)C1=NO[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055575554 431984618 /nfs/dbraw/zinc/98/46/18/431984618.db2.gz LSPILMRWQDTIPN-OAHLLOKOSA-N 1 0 316.380 3.106 50 0 DGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/c2ccccc2F)C1 ZINC000058427256 431996579 /nfs/dbraw/zinc/99/65/79/431996579.db2.gz BRRBFZSELIDZRA-NKSUMMKUSA-N 1 0 318.436 3.466 50 0 DGAARO Cc1cc2oc(=O)cc(C[N@H+](CCO)C3CC3)c2cc1C(C)C ZINC000058406702 431996767 /nfs/dbraw/zinc/99/67/67/431996767.db2.gz 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/nfs/dbraw/zinc/37/71/01/432377101.db2.gz SLLVOZWSWFKSRV-HUUCEWRRSA-N 1 0 323.506 3.243 50 0 DGAARO Cc1ccc2[nH]c(CN3CCC(c4ccnc(C)n4)CC3)nc2c1 ZINC000252483760 432377613 /nfs/dbraw/zinc/37/76/13/432377613.db2.gz FHYUDVODBGRJIT-UHFFFAOYSA-N 1 0 321.428 3.349 50 0 DGAARO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000252486219 432377914 /nfs/dbraw/zinc/37/79/14/432377914.db2.gz GRHYYTAICGSGIX-FXSPWANNSA-N 1 0 322.399 3.010 50 0 DGAARO C[C@@H](C[NH2+]C1CCN(CCc2ccncc2)CC1)c1ccccc1 ZINC000252508530 432381106 /nfs/dbraw/zinc/38/11/06/432381106.db2.gz XOQUXSOYLQOSMM-SFHVURJKSA-N 1 0 323.484 3.482 50 0 DGAARO C[C@H](C[NH2+]C1CCN(CCc2ccncc2)CC1)c1ccccc1 ZINC000252508529 432381492 /nfs/dbraw/zinc/38/14/92/432381492.db2.gz XOQUXSOYLQOSMM-GOSISDBHSA-N 1 0 323.484 3.482 50 0 DGAARO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000252507864 432381958 /nfs/dbraw/zinc/38/19/58/432381958.db2.gz WVKGKWOKTFQRKW-GOSISDBHSA-N 1 0 313.445 3.058 50 0 DGAARO COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252513410 432383736 /nfs/dbraw/zinc/38/37/36/432383736.db2.gz ZRISKEDNSVQOIW-FQLMCAECSA-N 1 0 305.418 3.373 50 0 DGAARO CNC(=O)c1cccc(CC[NH2+]Cc2sccc2Cl)c1 ZINC000193121351 432451673 /nfs/dbraw/zinc/45/16/73/432451673.db2.gz WTMYPCVWBRVSGW-UHFFFAOYSA-N 1 0 308.834 3.093 50 0 DGAARO OC1(c2ccccc2Cl)CCN(CC[NH+]2CCCCC2)CC1 ZINC000193135871 432454459 /nfs/dbraw/zinc/45/44/59/432454459.db2.gz CWHFUVJNXBTIHB-UHFFFAOYSA-N 1 0 322.880 3.109 50 0 DGAARO C[C@H]1CN(Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)CCO1 ZINC000153464576 432412334 /nfs/dbraw/zinc/41/23/34/432412334.db2.gz MDJFMCXOBMNFLJ-HNNXBMFYSA-N 1 0 314.473 3.186 50 0 DGAARO c1csc(C[N@@H+]2CC[C@H](c3noc(-c4ccccn4)n3)C2)c1 ZINC000257176988 432415634 /nfs/dbraw/zinc/41/56/34/432415634.db2.gz VKWIAWIZZOFNAW-LBPRGKRZSA-N 1 0 312.398 3.183 50 0 DGAARO CN1CCCCCC[N@H+](Cc2cccnc2)[C@H]2CCC[C@H]2C1=O ZINC000257184406 432415776 /nfs/dbraw/zinc/41/57/76/432415776.db2.gz ULUYSIFYFIUZON-MSOLQXFVSA-N 1 0 315.461 3.085 50 0 DGAARO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000257365321 432427349 /nfs/dbraw/zinc/42/73/49/432427349.db2.gz KQXTZNDADGXIOW-HOCLYGCPSA-N 1 0 323.400 3.159 50 0 DGAARO CCO[C@H]1C[C@H]([NH2+]Cc2coc3ccccc23)C12CCOCC2 ZINC000186407135 432592440 /nfs/dbraw/zinc/59/24/40/432592440.db2.gz CHBXKGGGQANHLE-ROUUACIJSA-N 1 0 315.413 3.497 50 0 DGAARO COc1cc(OC)c(C[N@H+](C)C[C@@H]2CCCCO2)cc1Cl ZINC000215425681 432642644 /nfs/dbraw/zinc/64/26/44/432642644.db2.gz XFVDOICPYHAIRL-ZDUSSCGKSA-N 1 0 313.825 3.358 50 0 DGAARO Cc1cc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)on1 ZINC000215476985 432643783 /nfs/dbraw/zinc/64/37/83/432643783.db2.gz PMYQQHJVFSWRJA-AWEZNQCLSA-N 1 0 310.401 3.314 50 0 DGAARO CN(C)c1ncc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)cn1 ZINC000215793348 432644630 /nfs/dbraw/zinc/64/46/30/432644630.db2.gz VRNOVVKHOIXMNP-AWEZNQCLSA-N 1 0 316.836 3.186 50 0 DGAARO CC(C)(C)c1cc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)[nH]n1 ZINC000215898931 432644816 /nfs/dbraw/zinc/64/48/16/432644816.db2.gz XMQWWNQZNSXSCR-INIZCTEOSA-N 1 0 315.465 3.349 50 0 DGAARO CC(=O)c1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3C)C2)cs1 ZINC000215590864 432644884 /nfs/dbraw/zinc/64/48/84/432644884.db2.gz GMOHJUJIQUNVRY-SFHVURJKSA-N 1 0 315.438 3.353 50 0 DGAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000215836766 432645660 /nfs/dbraw/zinc/64/56/60/432645660.db2.gz ARRKUWCRXPTSAP-UHFFFAOYSA-N 1 0 321.424 3.355 50 0 DGAARO CC[N@H+](C)C[C@@H]1CCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC000187125140 432646015 /nfs/dbraw/zinc/64/60/15/432646015.db2.gz HRLRHWQHQIYCHH-ZDUSSCGKSA-N 1 0 319.474 3.079 50 0 DGAARO COc1cc(Cl)cc(CN(C)Cc2nc(C)c[nH]2)c1OC ZINC000216468162 432651309 /nfs/dbraw/zinc/65/13/09/432651309.db2.gz ITOSHXNBCPIVNM-UHFFFAOYSA-N 1 0 309.797 3.021 50 0 DGAARO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC2CCCC2)cc1 ZINC000219023426 432660126 /nfs/dbraw/zinc/66/01/26/432660126.db2.gz NUQLNKUGWSPKGQ-SFHVURJKSA-N 1 0 316.445 3.109 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccccc1 ZINC000225845616 432701069 /nfs/dbraw/zinc/70/10/69/432701069.db2.gz VHQHEQNRFPSJPC-KFKAGJAMSA-N 1 0 323.440 3.049 50 0 DGAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]12 ZINC000230110458 432723978 /nfs/dbraw/zinc/72/39/78/432723978.db2.gz AEYRHMJLCOXQFM-BPLDGKMQSA-N 1 0 306.406 3.015 50 0 DGAARO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(Cl)cc2F)C1(C)C ZINC000225455508 432690599 /nfs/dbraw/zinc/69/05/99/432690599.db2.gz YITARIUEXMTVBH-ZBFHGGJFSA-N 1 0 315.816 3.135 50 0 DGAARO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000178813755 432779086 /nfs/dbraw/zinc/77/90/86/432779086.db2.gz IJINIYWYPYMYDU-LLVKDONJSA-N 1 0 317.820 3.088 50 0 DGAARO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)Cc1ccon1 ZINC000241132998 432816150 /nfs/dbraw/zinc/81/61/50/432816150.db2.gz JNVZWDPBIUDILW-MNZLEMJZSA-N 1 0 313.445 3.263 50 0 DGAARO CN1CC[C@@H]([NH2+]Cc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000240900790 432816219 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CN(CCc1ccccc1)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244652007 432822887 /nfs/dbraw/zinc/82/28/87/432822887.db2.gz GYCVLSCYCIPDGS-QAQDUYKDSA-N 1 0 322.456 3.238 50 0 DGAARO COCC1([N@H+](C)CCC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000244763782 432823824 /nfs/dbraw/zinc/82/38/24/432823824.db2.gz OVLQOUZGJCCFAW-UHFFFAOYSA-N 1 0 324.852 3.396 50 0 DGAARO C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CCOCC1 ZINC000244853015 432824184 /nfs/dbraw/zinc/82/41/84/432824184.db2.gz VDRFJTCYSYLACI-UHFFFAOYSA-N 1 0 312.413 3.279 50 0 DGAARO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)CS1 ZINC000277271323 432832802 /nfs/dbraw/zinc/83/28/02/432832802.db2.gz PTISASROJDMFQG-UKRRQHHQSA-N 1 0 316.474 3.277 50 0 DGAARO O[C@@H](C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1)CC(F)(F)F ZINC000189745211 432815512 /nfs/dbraw/zinc/81/55/12/432815512.db2.gz VOKZQGHUTMXGAC-MNOVXSKESA-N 1 0 323.742 3.106 50 0 DGAARO O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)C1(c2ccccc2)CCCC1 ZINC000289273414 432940299 /nfs/dbraw/zinc/94/02/99/432940299.db2.gz PKCPSEJSOUXCIH-IBGZPJMESA-N 1 0 312.457 3.101 50 0 DGAARO C[C@H](CC(=O)N1CCC[C@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000237532966 289416546 /nfs/dbraw/zinc/41/65/46/289416546.db2.gz CSZZHMYTCOPDIB-NEPJUHHUSA-N 1 0 314.351 3.149 50 0 DGAARO c1ccc(CCc2nc3cccnc3n2C2CC[NH2+]CC2)cc1 ZINC000299784879 433380718 /nfs/dbraw/zinc/38/07/18/433380718.db2.gz NCFIHFAQWWBXQG-UHFFFAOYSA-N 1 0 306.413 3.141 50 0 DGAARO CCCSc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C2)cc1 ZINC000299768603 433381423 /nfs/dbraw/zinc/38/14/23/433381423.db2.gz PJIGWYMMTXDFPA-AWEZNQCLSA-N 1 0 307.463 3.357 50 0 DGAARO COc1ccc(N2C(=O)C[N@@H+](C3CCCC3)CC2(C)C)cc1 ZINC000299781735 433383390 /nfs/dbraw/zinc/38/33/90/433383390.db2.gz LMELRYTVMIDTKQ-UHFFFAOYSA-N 1 0 302.418 3.065 50 0 DGAARO CC(C)OCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299794033 433388651 /nfs/dbraw/zinc/38/86/51/433388651.db2.gz HZKRWWFYEUAISN-INIZCTEOSA-N 1 0 324.852 3.018 50 0 DGAARO C[N@@H+]1CCN(c2ncnc3sccc32)[C@@H](c2ccccc2)C1 ZINC000014128772 290059865 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FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000408519477 434584361 /nfs/dbraw/zinc/58/43/61/434584361.db2.gz CUMBZFVHWVNZOX-KGLIPLIRSA-N 1 0 324.419 3.229 50 0 DGAARO CCc1cc(OC)ccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000349132660 434616132 /nfs/dbraw/zinc/61/61/32/434616132.db2.gz SLENJZIUZKEVLW-UHFFFAOYSA-N 1 0 312.404 3.030 50 0 DGAARO COc1ccccc1[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)C1CCCC1 ZINC000091344099 295405911 /nfs/dbraw/zinc/40/59/11/295405911.db2.gz AKEWYXYTFMEQLO-HNAYVOBHSA-N 1 0 316.445 3.137 50 0 DGAARO c1cc(CCC[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc2c1OCC2 ZINC000560630213 435186029 /nfs/dbraw/zinc/18/60/29/435186029.db2.gz VYEPPVNYKPPISO-VQTJNVASSA-N 1 0 313.441 3.198 50 0 DGAARO Cc1c[nH]cc1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000520395024 435742735 /nfs/dbraw/zinc/74/27/35/435742735.db2.gz PDMQTBVQRLTZGK-UHFFFAOYSA-N 1 0 303.450 3.050 50 0 DGAARO Cc1nc(C)c(CC[NH2+][C@@H](C)c2cn3ccccc3n2)s1 ZINC000548056476 314416721 /nfs/dbraw/zinc/41/67/21/314416721.db2.gz 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/nfs/dbraw/zinc/31/46/68/334314668.db2.gz WXRIRCNGSFDAMP-INIZCTEOSA-N 1 0 301.434 3.058 50 0 DGAARO CC[C@@H](C(=O)NC1(Cc2ccc(Cl)cc2)CC1)[N@H+](C)CC ZINC000534670936 334320272 /nfs/dbraw/zinc/32/02/72/334320272.db2.gz BYMDXSNEJSCZEG-HNNXBMFYSA-N 1 0 308.853 3.262 50 0 DGAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000534671650 334320621 /nfs/dbraw/zinc/32/06/21/334320621.db2.gz FQCRWRUUKGZLEV-HOTGVXAUSA-N 1 0 319.449 3.042 50 0 DGAARO Cc1nc(CCC[NH2+][C@H]2CCOC3(CCOCC3)C2)sc1C ZINC000082091690 501000108 /nfs/dbraw/zinc/00/01/08/501000108.db2.gz QXYBUQWIVASGIF-HNNXBMFYSA-N 1 0 324.490 3.010 50 0 DGAARO [NH3+][C@H]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000157754007 527400168 /nfs/dbraw/zinc/40/01/68/527400168.db2.gz HTBVMVSWOJELHL-JTQLQIEISA-N 1 0 321.833 3.027 50 0 DGAARO CCC[N@@H+]1CCC[C@H]1c1nc(-c2cccc(C(=O)OC)c2)no1 ZINC000328595363 528237408 /nfs/dbraw/zinc/23/74/08/528237408.db2.gz SHMJGMJYIVYOCY-AWEZNQCLSA-N 1 0 315.373 3.070 50 0 DGAARO CC[C@H](C)n1nccc1NC(=O)N(C)CC[NH+]1CCCCCC1 ZINC000299772948 529295415 /nfs/dbraw/zinc/29/54/15/529295415.db2.gz DEKXBVUSMMXOPA-HNNXBMFYSA-N 1 0 321.469 3.194 50 0 DGAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@@H](C)c2cccc(F)c2)cn1 ZINC000083843427 545780053 /nfs/dbraw/zinc/78/00/53/545780053.db2.gz ZBSIIEMBYXGQGV-JCKWVBRZSA-N 1 0 317.408 3.471 50 0 DGAARO CCc1ccc2c(C[N@H+](CC(C)(C)O)C(C)C)cc(=O)oc2c1 ZINC000083825584 545780910 /nfs/dbraw/zinc/78/09/10/545780910.db2.gz CORYBEUMOCFAGH-UHFFFAOYSA-N 1 0 317.429 3.337 50 0 DGAARO Cc1nc(CN(Cc2ccccc2F)[C@@H]2CC[N@@H+](C)C2)oc1C ZINC000084061355 545782697 /nfs/dbraw/zinc/78/26/97/545782697.db2.gz XWDKCBCXRBQBKE-MRXNPFEDSA-N 1 0 317.408 3.137 50 0 DGAARO Cc1cc([C@@H]2CCC[N@H+](Cc3nc(C)c4ccccc4n3)C2)[nH]n1 ZINC000084111373 545784419 /nfs/dbraw/zinc/78/44/19/545784419.db2.gz JHSKWFXAAWXWFX-OAHLLOKOSA-N 1 0 321.428 3.349 50 0 DGAARO CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)C1 ZINC000084735446 545794327 /nfs/dbraw/zinc/79/43/27/545794327.db2.gz LEBDKGSREWHYOJ-IJLUTSLNSA-N 1 0 316.371 3.071 50 0 DGAARO C[S@@](=O)c1ccc(C[NH2+][C@@]2(C)CCc3ccccc3C2)cc1 ZINC000085329432 545795851 /nfs/dbraw/zinc/79/58/51/545795851.db2.gz XHPPDRWPOFSSNC-UGKGYDQZSA-N 1 0 313.466 3.461 50 0 DGAARO C[C@H](CC1CCOCC1)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401163 545826306 /nfs/dbraw/zinc/82/63/06/545826306.db2.gz CCXZJIHRNLAVLH-CYBMUJFWSA-N 1 0 317.458 3.500 50 0 DGAARO c1c2ccccc2[nH]c1CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000090577450 545830160 /nfs/dbraw/zinc/83/01/60/545830160.db2.gz CPCREMHGZSHMMW-UHFFFAOYSA-N 1 0 320.440 3.364 50 0 DGAARO C[C@H](c1ccncc1)N1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000090667232 545831580 /nfs/dbraw/zinc/83/15/80/545831580.db2.gz SLICLXGGXUTWMH-MRXNPFEDSA-N 1 0 321.468 3.364 50 0 DGAARO Fc1cc(F)cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000092661241 545850367 /nfs/dbraw/zinc/85/03/67/545850367.db2.gz FAFGKZSENBDJOI-KRWDZBQOSA-N 1 0 311.372 3.125 50 0 DGAARO Cc1cc(CN(C)Cc2ccc(C[NH+]3CCCC3)s2)on1 ZINC000215099706 546260343 /nfs/dbraw/zinc/26/03/43/546260343.db2.gz MTYPIYHNCIYTMO-UHFFFAOYSA-N 1 0 305.447 3.272 50 0 DGAARO COc1cc2c(cc1C[NH+]1CCC(c3ncc[nH]3)CC1)CCC2 ZINC000214983171 546260393 /nfs/dbraw/zinc/26/03/93/546260393.db2.gz NIWHZSLSEUWWDB-UHFFFAOYSA-N 1 0 311.429 3.287 50 0 DGAARO C[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)c1cccc(Cl)c1 ZINC000230469916 546274008 /nfs/dbraw/zinc/27/40/08/546274008.db2.gz DATPRJIPIDVAQW-FRFSOERESA-N 1 0 320.864 3.434 50 0 DGAARO COc1cc([C@H](C)[NH2+]Cc2cc(C)ccn2)cc(OC)c1OC ZINC000328086141 546480351 /nfs/dbraw/zinc/48/03/51/546480351.db2.gz HNPJHNHUDLXODN-ZDUSSCGKSA-N 1 0 316.401 3.267 50 0 DGAARO Cc1ccc(OCCNc2nc3nc4ccccc4c-3[nH][nH+]2)cc1 ZINC000670427547 547753560 /nfs/dbraw/zinc/75/35/60/547753560.db2.gz ASNPNMXERKXODR-UHFFFAOYSA-N 1 0 319.368 3.305 50 0 DGAARO Cc1nc(C[C@@H]2CCCC[N@H+]2C)n(-c2ccccc2Cl)n1 ZINC000670439843 547754552 /nfs/dbraw/zinc/75/45/52/547754552.db2.gz BAARYVHCBGGVKR-ZDUSSCGKSA-N 1 0 304.825 3.256 50 0 DGAARO c1nc(C2CC[NH+](C3CCCCC3)CC2)n(-c2ccncc2)n1 ZINC000670471187 547759155 /nfs/dbraw/zinc/75/91/55/547759155.db2.gz ZPBWWEOCCLJDNV-UHFFFAOYSA-N 1 0 311.433 3.174 50 0 DGAARO C[C@]1(C[NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)CCCO1 ZINC000670473441 547759197 /nfs/dbraw/zinc/75/91/97/547759197.db2.gz VIJSPZVSSGSRDQ-QGZVFWFLSA-N 1 0 310.388 3.092 50 0 DGAARO Cc1ccc(N2CCC([N@@H+]3[C@@H]4CC[C@H]3CN(C)CC4)CC2)cc1 ZINC000670470010 547759349 /nfs/dbraw/zinc/75/93/49/547759349.db2.gz GZTJEFZCIVCDDK-QUCCMNQESA-N 1 0 313.489 3.132 50 0 DGAARO c1[nH]nc2c1cccc2C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000685939567 549810436 /nfs/dbraw/zinc/81/04/36/549810436.db2.gz NBDHKZPBCDCJPJ-UHFFFAOYSA-N 1 0 321.424 3.401 50 0 DGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCC[C@H]3C(F)(F)F)C1 ZINC000299754122 563938766 /nfs/dbraw/zinc/93/87/66/563938766.db2.gz VZBBTZOZTRYFFU-IJLUTSLNSA-N 1 0 316.371 3.386 50 0 DGAARO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000170027454 575284378 /nfs/dbraw/zinc/28/43/78/575284378.db2.gz HXETXHVJFJPMOE-GHNFSYLKSA-N 1 0 323.502 3.091 50 0 DGAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1ccc(F)c(F)c1 ZINC000239672662 575999353 /nfs/dbraw/zinc/99/93/53/575999353.db2.gz BUNYGXSEUMBLAI-OLZOCXBDSA-N 1 0 308.372 3.415 50 0 DGAARO CC(C)(C)OC(=O)CC[C@@H]1CCCCN1Cc1csnn1 ZINC000585088813 576000851 /nfs/dbraw/zinc/00/08/51/576000851.db2.gz NSNCBHKEOXDMSK-ZDUSSCGKSA-N 1 0 311.451 3.015 50 0 DGAARO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000728774478 576200750 /nfs/dbraw/zinc/20/07/50/576200750.db2.gz GILRWRWRWCMPTG-AWEZNQCLSA-N 1 0 309.413 3.368 50 0 DGAARO c1cc(-c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)cc2c1OCC2 ZINC000874435588 620715264 /nfs/dbraw/zinc/71/52/64/620715264.db2.gz YTBYKKFUGORYFC-HNNXBMFYSA-N 1 0 311.385 3.361 50 0 DGAARO Cc1ncsc1C[NH2+]C1CCN(OCc2ccccc2)CC1 ZINC000888099169 618625731 /nfs/dbraw/zinc/62/57/31/618625731.db2.gz WXQGTIZPJLNREF-UHFFFAOYSA-N 1 0 317.458 3.137 50 0 DGAARO CC1(C)Cc2cc(C[NH2+][C@H]3CCN(c4ccccn4)C3)ccc2O1 ZINC000120628366 618978017 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c1ccc2c(c1)CC[C@@H](CN1CCCC[C@@H]1C[NH+]1CCCC1)O2 ZINC000020636945 656072629 /nfs/dbraw/zinc/07/26/29/656072629.db2.gz UCDKVFRTIQNUAR-MOPGFXCFSA-N 1 0 314.473 3.331 50 0 DGAARO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cnc(C)s2)cc1 ZINC000179943487 656089365 /nfs/dbraw/zinc/08/93/65/656089365.db2.gz IJQRCVAJYORZTF-LLVKDONJSA-N 1 0 324.471 3.096 50 0 DGAARO COc1ccccc1-c1nc(C[N@H+](C)C[C@@H]2CCOC2)cs1 ZINC000178365396 656122153 /nfs/dbraw/zinc/12/21/53/656122153.db2.gz CFLNJJFFKRXACJ-ZDUSSCGKSA-N 1 0 318.442 3.287 50 0 DGAARO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000093687911 656372605 /nfs/dbraw/zinc/37/26/05/656372605.db2.gz KJYUOSXWVRUSEG-QGZVFWFLSA-N 1 0 313.397 3.188 50 0 DGAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCC(=O)N(C)CC2)c1 ZINC000019146365 658655826 /nfs/dbraw/zinc/65/58/26/658655826.db2.gz ZRRCPOHQOBKCHE-UHFFFAOYSA-N 1 0 308.425 3.326 50 0 DGAARO c1csc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)n1 ZINC000020996406 658725850 /nfs/dbraw/zinc/72/58/50/658725850.db2.gz LUUBJVKUUPFXEB-QGZVFWFLSA-N 1 0 313.470 3.166 50 0 DGAARO C[C@@](O)(C[NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1Cl ZINC000156686755 658934082 /nfs/dbraw/zinc/93/40/82/658934082.db2.gz JKGJPBYNWOWHGG-QGZVFWFLSA-N 1 0 315.804 3.214 50 0 DGAARO COCCC1(C[NH+]2CCN(c3nccs3)CC2)CCCCC1 ZINC000189608388 661984657 /nfs/dbraw/zinc/98/46/57/661984657.db2.gz YDVJNFCYRYLWHB-UHFFFAOYSA-N 1 0 323.506 3.252 50 0 DGAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000081361419 662165515 /nfs/dbraw/zinc/16/55/15/662165515.db2.gz GBYLNCLMRJENJA-AWEZNQCLSA-N 1 0 300.402 3.237 50 0 DGAARO COc1cccc(N2CC[C@@H](C[NH2+]C/C=C/c3ccco3)C2)c1 ZINC000083973544 662198519 /nfs/dbraw/zinc/19/85/19/662198519.db2.gz QOUAMSQWIWLASA-SEJWUHKESA-N 1 0 312.413 3.418 50 0 DGAARO COc1ccc(O)cc1CNCC1([NH+]2CCCCC2)CCCC1 ZINC000952963725 662209040 /nfs/dbraw/zinc/20/90/40/662209040.db2.gz IFWRZTBLUGUIHK-UHFFFAOYSA-N 1 0 318.461 3.289 50 0 DGAARO C[C@H]([NH2+]C1CSCCSC1)c1ccccc1-n1cccn1 ZINC000952972355 662209398 /nfs/dbraw/zinc/20/93/98/662209398.db2.gz FDPKSHHOBCQNOT-ZDUSSCGKSA-N 1 0 319.499 3.372 50 0 DGAARO CN(C)c1ccc(NC(=O)C[N@H+](C)C2CCCC2)cc1Cl ZINC000952981923 662210217 /nfs/dbraw/zinc/21/02/17/662210217.db2.gz PVJLDMGTHALZPY-UHFFFAOYSA-N 1 0 309.841 3.219 50 0 DGAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ncc[nH]2)[C@H]2CCCC[C@@H]21 ZINC000065397557 685054521 /nfs/dbraw/zinc/05/45/21/685054521.db2.gz LEUJBXNJSWUFAZ-JENIJYKNSA-N 1 0 311.429 3.062 50 0 DGAARO Cc1nccn1[C@H](C)CC(=O)N(C)Cc1cccc2cnccc21 ZINC001506396132 1186220436 /nfs/dbraw/zinc/22/04/36/1186220436.db2.gz HTUYFZRKFVHCIO-CQSZACIVSA-N 1 0 322.412 3.349 50 0 DGAARO Fc1cnccc1N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC001506400965 1186222092 /nfs/dbraw/zinc/22/20/92/1186222092.db2.gz HNCVKGKNDHPEEM-UHFFFAOYSA-N 1 0 315.436 3.312 50 0 DGAARO COc1ccc(OC)c([C@@H](C)[NH2+]C2CSCCSC2)c1 ZINC001506422228 1186226877 /nfs/dbraw/zinc/22/68/77/1186226877.db2.gz PSVUGRGRCJKMJB-LLVKDONJSA-N 1 0 313.488 3.203 50 0 DGAARO CN(C(=O)c1c(F)cccc1F)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529106885 1187533216 /nfs/dbraw/zinc/53/32/16/1187533216.db2.gz SWYLVPGIPJECNS-KPWCQOOUSA-N 1 0 322.399 3.156 50 0 DGAARO CN(C(=O)c1ccc(F)cc1)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529133659 1187535899 /nfs/dbraw/zinc/53/58/99/1187535899.db2.gz USHVNWYMLHIITC-MDBPOYHNSA-N 1 0 304.409 3.017 50 0 DGAARO Cc1cnn(C2CCCC2)c1NC(=O)C[C@@H]1CCCC[N@H+]1C ZINC001529197315 1187540725 /nfs/dbraw/zinc/54/07/25/1187540725.db2.gz OMVKDINBPOOIBW-HNNXBMFYSA-N 1 0 304.438 3.120 50 0 DGAARO COc1cccc(OC)c1C[N@H+]1CCC[C@@]2(CCC[C@H]2OC)C1 ZINC001704300635 1202519321 /nfs/dbraw/zinc/51/93/21/1202519321.db2.gz ZQKDLFQHOCSPCJ-MOPGFXCFSA-N 1 0 319.445 3.485 50 0 DGAARO CC1=CC2(CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)OCC1 ZINC001704298802 1202519501 /nfs/dbraw/zinc/51/95/01/1202519501.db2.gz JWKNMSRWPXEURY-MRXNPFEDSA-N 1 0 315.413 3.028 50 0 DGAARO CSc1cccc(C[N@H+](C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 ZINC001704338774 1202521810 /nfs/dbraw/zinc/52/18/10/1202521810.db2.gz ZNGYCFBPUFBRMW-OWCLPIDISA-N 1 0 318.486 3.097 50 0 DGAARO CC[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc2ncccc2c1 ZINC001704348131 1202522149 /nfs/dbraw/zinc/52/21/49/1202522149.db2.gz DERKWSUPLWITRR-KRWDZBQOSA-N 1 0 313.445 3.360 50 0 DGAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC001704349113 1202522564 /nfs/dbraw/zinc/52/25/64/1202522564.db2.gz QJJABDTYAAOHLQ-INIZCTEOSA-N 1 0 321.428 3.283 50 0 DGAARO Cc1cc(C)nc(NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)n1 ZINC001704350671 1202522791 /nfs/dbraw/zinc/52/27/91/1202522791.db2.gz CQNSWQUGOZTOFJ-KRWDZBQOSA-N 1 0 310.445 3.336 50 0 DGAARO CC(C)C(=O)N1CCOc2ccc(C[NH+]3CCCCC3)cc2C1 ZINC000581819987 1083040467 /nfs/dbraw/zinc/04/04/67/1083040467.db2.gz JUYSEPAPAREWTL-UHFFFAOYSA-N 1 0 316.445 3.050 50 0 DGAARO CC(C)C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[nH]c(=O)c1C2 ZINC000675009541 1083439816 /nfs/dbraw/zinc/43/98/16/1083439816.db2.gz ADVFVYMGOAKJBN-CVEARBPZSA-N 1 0 323.440 3.437 50 0 DGAARO c1cc(-c2noc(CC3C[NH+](CC4CCCCC4)C3)n2)ccn1 ZINC000675020090 1083449442 /nfs/dbraw/zinc/44/94/42/1083449442.db2.gz OQBXKBFSJJWQHL-UHFFFAOYSA-N 1 0 312.417 3.186 50 0 DGAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCOc2cccc3cccnc32)n1 ZINC000821508439 1091644174 /nfs/dbraw/zinc/64/41/74/1091644174.db2.gz VHQDVUPIODWBNK-HNNXBMFYSA-N 1 0 324.428 3.105 50 0 DGAARO CCC[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1C)[NH+](C)C ZINC000822790909 1091669841 /nfs/dbraw/zinc/66/98/41/1091669841.db2.gz ULYLBYZESVSWLC-ZDUSSCGKSA-N 1 0 316.367 3.474 50 0 DGAARO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000823765127 1091699244 /nfs/dbraw/zinc/69/92/44/1091699244.db2.gz XIPNPMFBVARHCU-HNNXBMFYSA-N 1 0 314.429 3.454 50 0 DGAARO CNc1nc(NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)ncc1F ZINC000824090524 1091716156 /nfs/dbraw/zinc/71/61/56/1091716156.db2.gz AQNORHBNGSHTRM-AWEZNQCLSA-N 1 0 321.444 3.257 50 0 DGAARO O=C(C[NH+]1CCCCCC1)NCc1ccccc1C(F)(F)F ZINC000827832294 1091780502 /nfs/dbraw/zinc/78/05/02/1091780502.db2.gz SNFOFEVISSQQCP-UHFFFAOYSA-N 1 0 314.351 3.198 50 0 DGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(C2CC2)no1 ZINC000828231183 1091819968 /nfs/dbraw/zinc/81/99/68/1091819968.db2.gz FTWBEYJLBIMFFK-UHFFFAOYSA-N 1 0 311.385 3.400 50 0 DGAARO c1ccc(N2CC[C@H]([NH2+]Cc3ccc4nsnc4c3)C2)cc1 ZINC000829069275 1091862102 /nfs/dbraw/zinc/86/21/02/1091862102.db2.gz OASXZYIUAAGMAA-AWEZNQCLSA-N 1 0 310.426 3.060 50 0 DGAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)c2ccco2)CC1 ZINC000581788004 1092269628 /nfs/dbraw/zinc/26/96/28/1092269628.db2.gz NSJZUGYDLNTVIO-MRXNPFEDSA-N 1 0 304.434 3.396 50 0 DGAARO O=C(Cc1ccccc1F)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581787899 1092271099 /nfs/dbraw/zinc/27/10/99/1092271099.db2.gz HSEJDFJFMZHKNV-INIZCTEOSA-N 1 0 318.436 3.093 50 0 DGAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000581808791 1092279902 /nfs/dbraw/zinc/27/99/02/1092279902.db2.gz MSDLXBFSWMWNGK-UHFFFAOYSA-N 1 0 304.438 3.214 50 0 DGAARO c1ccc(OC2CCN(c3cc(NCC4CC4)ncn3)CC2)cc1 ZINC000585085153 1094980939 /nfs/dbraw/zinc/98/09/39/1094980939.db2.gz JZYAJSATTFLYFT-UHFFFAOYSA-N 1 0 324.428 3.346 50 0 DGAARO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)COC(C)C ZINC000585125265 1095022131 /nfs/dbraw/zinc/02/21/31/1095022131.db2.gz LWDIHOPFFRPNDI-MRXNPFEDSA-N 1 0 306.450 3.012 50 0 DGAARO C[C@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)n1cccn1 ZINC000952868879 1096782385 /nfs/dbraw/zinc/78/23/85/1096782385.db2.gz BQBXTXYOGFUYNB-OAHLLOKOSA-N 1 0 312.417 3.069 50 0 DGAARO Fc1ccc(N2CC[C@@H]([NH2+]CCOc3ccccc3F)C2)cc1 ZINC000952872379 1096782824 /nfs/dbraw/zinc/78/28/24/1096782824.db2.gz NEOSXPQVWXXLMV-OAHLLOKOSA-N 1 0 318.367 3.212 50 0 DGAARO C[NH2+][C@H]1CCCN(C(=O)NCc2cccnc2C)c2ccccc21 ZINC000952876125 1096784082 /nfs/dbraw/zinc/78/40/82/1096784082.db2.gz BDKNGPDXDLIPJP-KRWDZBQOSA-N 1 0 324.428 3.161 50 0 DGAARO CC(C)[NH2+]C1CCN(Cc2nccc(Cl)c2Cl)CC1 ZINC000952879532 1096785032 /nfs/dbraw/zinc/78/50/32/1096785032.db2.gz FIGUPOHQMGNQCT-UHFFFAOYSA-N 1 0 302.249 3.351 50 0 DGAARO c1cc(C2CC[NH+](CC3([C@@H]4CCCCO4)CCC3)CC2)n[nH]1 ZINC000952882185 1096786348 /nfs/dbraw/zinc/78/63/48/1096786348.db2.gz SEIWMPKUTOJXSF-KRWDZBQOSA-N 1 0 303.450 3.329 50 0 DGAARO C/C=C/C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC000952960022 1096788370 /nfs/dbraw/zinc/78/83/70/1096788370.db2.gz JEGIMZQVRDRSMH-FAAWYNLUSA-N 1 0 311.429 3.186 50 0 DGAARO CCC[C@@H]1CN(Cc2nc3ccccc3nc2C)C[C@H]1[NH+](C)C ZINC000095512225 185376626 /nfs/dbraw/zinc/37/66/26/185376626.db2.gz NUGHTJHCNWBARX-DNVCBOLYSA-N 1 0 312.461 3.100 50 0 DGAARO c1ccc(CC[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 ZINC000078922749 185128939 /nfs/dbraw/zinc/12/89/39/185128939.db2.gz PJHTZOXXXCIKHO-HNNXBMFYSA-N 1 0 306.413 3.380 50 0 DGAARO C[NH+](C)Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000009049379 282147299 /nfs/dbraw/zinc/14/72/99/282147299.db2.gz ISZLJNQALSXCAH-UHFFFAOYSA-N 1 0 312.457 3.447 50 0 DGAARO Cc1ccc(NC(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000079064397 185152031 /nfs/dbraw/zinc/15/20/31/185152031.db2.gz DYTFFNQWRCDKLN-HOTGVXAUSA-N 1 0 319.449 3.006 50 0 DGAARO Cc1nnc([C@H](C)[NH2+]CC2(c3ccc(C)cc3)CCOCC2)o1 ZINC000079030917 185147537 /nfs/dbraw/zinc/14/75/37/185147537.db2.gz DJZVATKXMCTQTE-AWEZNQCLSA-N 1 0 315.417 3.085 50 0 DGAARO CN(Cc1nnc2ccccn21)c1cc[nH+]c2cc(F)ccc21 ZINC000079096729 185157945 /nfs/dbraw/zinc/15/79/45/185157945.db2.gz LNCFCEIJGSNTCA-UHFFFAOYSA-N 1 0 307.332 3.053 50 0 DGAARO Cn1ccnc1[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000082161452 185174128 /nfs/dbraw/zinc/17/41/28/185174128.db2.gz AIYUIVFUJUPXBO-AWEZNQCLSA-N 1 0 319.836 3.332 50 0 DGAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000089948852 185270856 /nfs/dbraw/zinc/27/08/56/185270856.db2.gz JJAHZZOMSOGPDC-SUMWQHHRSA-N 1 0 318.392 3.309 50 0 DGAARO OCC[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000090079351 185280873 /nfs/dbraw/zinc/28/08/73/185280873.db2.gz LHUHOJZQQHXHRL-JKSUJKDBSA-N 1 0 324.262 3.057 50 0 DGAARO C[N@H+](Cc1cccs1)C1CCN(CCc2ccccn2)CC1 ZINC000092645363 185330799 /nfs/dbraw/zinc/33/07/99/185330799.db2.gz WMZMKBBQIGZKIB-UHFFFAOYSA-N 1 0 315.486 3.282 50 0 DGAARO Cc1nnc(NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)o1 ZINC000095391037 185351582 /nfs/dbraw/zinc/35/15/82/185351582.db2.gz OXDCJWGVYJXIMT-AWEZNQCLSA-N 1 0 306.797 3.280 50 0 DGAARO Cc1ccc2c(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cc(=O)oc2c1 ZINC000095405687 185355706 /nfs/dbraw/zinc/35/57/06/185355706.db2.gz SQGKEBIHEVQWGW-AWEZNQCLSA-N 1 0 323.396 3.204 50 0 DGAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415555 185358893 /nfs/dbraw/zinc/35/88/93/185358893.db2.gz WIBXKNPTIGWJMP-JKSUJKDBSA-N 1 0 300.427 3.159 50 0 DGAARO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000095420041 185360022 /nfs/dbraw/zinc/36/00/22/185360022.db2.gz BRNHPFJLYDQXDO-ZDUSSCGKSA-N 1 0 304.413 3.207 50 0 DGAARO COc1ccc([C@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000095419748 185360281 /nfs/dbraw/zinc/36/02/81/185360281.db2.gz NXBGJBMPCOUXPW-ZWKOTPCHSA-N 1 0 301.361 3.145 50 0 DGAARO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000095421519 185360382 /nfs/dbraw/zinc/36/03/82/185360382.db2.gz ZTCDFQMCSSWZIM-NRFANRHFSA-N 1 0 321.468 3.366 50 0 DGAARO CNC(=O)c1cccc(C[NH2+][C@H](CC(C)C)c2ccccn2)c1 ZINC000095420945 185360553 /nfs/dbraw/zinc/36/05/53/185360553.db2.gz VOQHTCOJUZRWCT-GOSISDBHSA-N 1 0 311.429 3.318 50 0 DGAARO c1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000095421520 185360597 /nfs/dbraw/zinc/36/05/97/185360597.db2.gz ZTCDFQMCSSWZIM-OAQYLSRUSA-N 1 0 321.468 3.366 50 0 DGAARO Cc1cnc([C@H](NC2CC[NH+](CC3CC3)CC2)C2CC2)s1 ZINC000095423339 185361135 /nfs/dbraw/zinc/36/11/35/185361135.db2.gz SXGCRXSKDWQYOJ-MRXNPFEDSA-N 1 0 305.491 3.367 50 0 DGAARO COc1ccc(CN2CCC[N@@H+]([C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000095455303 185369837 /nfs/dbraw/zinc/36/98/37/185369837.db2.gz NJINLYLLAGYQDW-FUHWJXTLSA-N 1 0 302.462 3.392 50 0 DGAARO C[NH+](C)CCNc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000095459408 185370627 /nfs/dbraw/zinc/37/06/27/185370627.db2.gz 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C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000005920636 181296234 /nfs/dbraw/zinc/29/62/34/181296234.db2.gz IUTJVXMQOKJXEE-CJNGLKHVSA-N 1 0 305.805 3.431 50 0 DGAARO C/C(=C/C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C1CC1 ZINC000089262096 192752859 /nfs/dbraw/zinc/75/28/59/192752859.db2.gz MCJMBITZRXWRTR-YPKPFQOOSA-N 1 0 313.445 3.488 50 0 DGAARO C[C@H](CN1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000187352303 200099660 /nfs/dbraw/zinc/09/96/60/200099660.db2.gz UEJPCSIBTXKEOM-OAHLLOKOSA-N 1 0 322.880 3.240 50 0 DGAARO O=C(Nc1cccc(Cl)c1SCC(F)F)[C@@H]1CC[NH2+]C1 ZINC000237788640 202356239 /nfs/dbraw/zinc/35/62/39/202356239.db2.gz IIUYETGMSPTYIV-MRVPVSSYSA-N 1 0 320.792 3.245 50 0 DGAARO [NH3+]C[C@H]1Cc2cc(-c3ncnc4sccc43)cc(Cl)c2O1 ZINC000067872073 283524470 /nfs/dbraw/zinc/52/44/70/283524470.db2.gz GBMPWPQYJBTGND-SNVBAGLBSA-N 1 0 317.801 3.274 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Br)cs1 ZINC000193968845 201154983 /nfs/dbraw/zinc/15/49/83/201154983.db2.gz OMDQPSXVZSPUGC-MRVPVSSYSA-N 1 0 300.225 3.095 50 0 DGAARO COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1C ZINC000194376896 201213642 /nfs/dbraw/zinc/21/36/42/201213642.db2.gz IRJYECIYQZZNJS-RDJZCZTQSA-N 1 0 307.459 3.148 50 0 DGAARO CSc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000195532196 201399972 /nfs/dbraw/zinc/39/99/72/201399972.db2.gz UVDFUFITNHTWAM-OLZOCXBDSA-N 1 0 323.437 3.248 50 0 DGAARO Cc1cncc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000189883477 432099980 /nfs/dbraw/zinc/09/99/80/432099980.db2.gz OGXVMJNUUBDDBI-LJQANCHMSA-N 1 0 314.404 3.475 50 0 DGAARO O=C(C[NH+]1CCCCCCC1)N[C@@H]1CCCc2ccccc21 ZINC000006561429 181355267 /nfs/dbraw/zinc/35/52/67/181355267.db2.gz NUPMJULIWCEUQU-GOSISDBHSA-N 1 0 300.446 3.446 50 0 DGAARO O=C(C1CC1)N1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000058316205 283749891 /nfs/dbraw/zinc/74/98/91/283749891.db2.gz RQAHUZYXGBSDKK-IBGZPJMESA-N 1 0 312.457 3.300 50 0 DGAARO COC(=O)c1cc(C[NH2+]Cc2ccc(Cl)cc2)ccc1OC ZINC000006602069 181360147 /nfs/dbraw/zinc/36/01/47/181360147.db2.gz 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/nfs/dbraw/zinc/38/41/14/181384114.db2.gz PLEMJYZNPXXFSZ-UHFFFAOYSA-N 1 0 323.444 3.222 50 0 DGAARO COc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000006787571 181389248 /nfs/dbraw/zinc/38/92/48/181389248.db2.gz BMSYDFMKNBTHTK-OAHLLOKOSA-N 1 0 312.413 3.245 50 0 DGAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000091365255 193046317 /nfs/dbraw/zinc/04/63/17/193046317.db2.gz LIKAQAPJKYQEPZ-QGZVFWFLSA-N 1 0 317.408 3.140 50 0 DGAARO COC[C@]1(O)CC[N@H+](Cc2ccccc2SC)CC1(C)C ZINC000091650096 193084808 /nfs/dbraw/zinc/08/48/08/193084808.db2.gz ZPEHRQGBGOKMDZ-QGZVFWFLSA-N 1 0 309.475 3.018 50 0 DGAARO CSc1cccc(CN(C)C(=O)[C@@H]2CCCCC[N@@H+]2C)c1 ZINC000091664744 193086985 /nfs/dbraw/zinc/08/69/85/193086985.db2.gz NLLOVTFZVJDWTC-INIZCTEOSA-N 1 0 306.475 3.241 50 0 DGAARO c1csc(CC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000091631262 193083345 /nfs/dbraw/zinc/08/33/45/193083345.db2.gz KNIHWXYNFNAKDD-CYBMUJFWSA-N 1 0 302.447 3.097 50 0 DGAARO CCC[C@@]1(CO)CCC[N@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000091859182 193118788 /nfs/dbraw/zinc/11/87/88/193118788.db2.gz PPADWOOZZCYSOS-QGZVFWFLSA-N 1 0 323.506 3.118 50 0 DGAARO CC(=O)Nc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000091930805 193127841 /nfs/dbraw/zinc/12/78/41/193127841.db2.gz AKVPXSOAGJMJMF-UHFFFAOYSA-N 1 0 305.809 3.269 50 0 DGAARO COCCC[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000092045523 193147382 /nfs/dbraw/zinc/14/73/82/193147382.db2.gz SNTLWULEOONIEF-HNNXBMFYSA-N 1 0 317.882 3.403 50 0 DGAARO Cc1ccc([C@@H](C)[NH2+]Cc2cc(=O)c3cc(C)ccc3[nH]2)nc1 ZINC000092065507 193150600 /nfs/dbraw/zinc/15/06/00/193150600.db2.gz LOFQPLUVPVFGRK-CQSZACIVSA-N 1 0 307.397 3.391 50 0 DGAARO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000215829217 201471918 /nfs/dbraw/zinc/47/19/18/201471918.db2.gz WMVMKISKQGFIHU-ZWKOTPCHSA-N 1 0 300.446 3.219 50 0 DGAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000135351729 432114212 /nfs/dbraw/zinc/11/42/12/432114212.db2.gz TZGUJCRWMUILHO-IBGZPJMESA-N 1 0 323.440 3.305 50 0 DGAARO C[C@](O)(C[NH2+]C1CCN(c2ccccc2)CC1)c1cccs1 ZINC000253420401 202880250 /nfs/dbraw/zinc/88/02/50/202880250.db2.gz VAWWJTLHWJIPQW-SFHVURJKSA-N 1 0 316.470 3.214 50 0 DGAARO COc1ccc(C)cc1CC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000007736196 181490455 /nfs/dbraw/zinc/49/04/55/181490455.db2.gz COEQWXLOGKZYLZ-UHFFFAOYSA-N 1 0 312.413 3.294 50 0 DGAARO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000093808496 193310734 /nfs/dbraw/zinc/31/07/34/193310734.db2.gz OXGIQEYQSYPNBD-HNNXBMFYSA-N 1 0 316.445 3.095 50 0 DGAARO c1c2ccccc2sc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664181 193286724 /nfs/dbraw/zinc/28/67/24/193286724.db2.gz NSOOGKAFMMNYDN-OAHLLOKOSA-N 1 0 316.470 3.055 50 0 DGAARO CC[C@@H](CNc1ncnc2nc(C)cc(C)c21)[NH+]1CCCCC1 ZINC000095358255 193429308 /nfs/dbraw/zinc/42/93/08/193429308.db2.gz LYHFFPJAIRYCAC-HNNXBMFYSA-N 1 0 313.449 3.318 50 0 DGAARO Cc1cccc(C[NH2+][C@@H](C)C2(N3CCOCC3)CCCC2)c1 ZINC000095941422 193452463 /nfs/dbraw/zinc/45/24/63/193452463.db2.gz OLYRZGSTIQQTOX-KRWDZBQOSA-N 1 0 302.462 3.118 50 0 DGAARO C[C@@H]([NH2+]C[C@@H](C)c1ccsc1)c1ccc(-n2cnnn2)cc1 ZINC000096478880 193662960 /nfs/dbraw/zinc/66/29/60/193662960.db2.gz KJYLUNXVMURLIJ-CHWSQXEVSA-N 1 0 313.430 3.178 50 0 DGAARO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)SC)c1 ZINC000096478858 193663062 /nfs/dbraw/zinc/66/30/62/193663062.db2.gz MEKCNVYXNYSVPI-LBPRGKRZSA-N 1 0 310.463 3.144 50 0 DGAARO Cc1ccc(OCC(=O)NCC2([NH+](C)C)CCCCC2)cc1C ZINC000008673962 181571398 /nfs/dbraw/zinc/57/13/98/181571398.db2.gz BAUPHFZGKLACMI-UHFFFAOYSA-N 1 0 318.461 3.063 50 0 DGAARO COc1cc2c(c(/C=C\c3cc[n+](C)cc3)cn2C)c(OC)c1 ZINC000008742570 181581838 /nfs/dbraw/zinc/58/18/38/181581838.db2.gz YLUXUKBJHJSPGB-UHFFFAOYSA-N 1 0 309.389 3.190 50 0 DGAARO COc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010332258 181665941 /nfs/dbraw/zinc/66/59/41/181665941.db2.gz XKYCULDELRXPRK-UHFFFAOYSA-N 1 0 324.424 3.221 50 0 DGAARO O=C(NCCc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010334811 181666298 /nfs/dbraw/zinc/66/62/98/181666298.db2.gz CUHJDFNECVPYQO-UHFFFAOYSA-N 1 0 308.425 3.255 50 0 DGAARO Cc1cc2c(nc1C)sc1c2ncnc1NCCC[NH+](C)C ZINC000012407695 181757789 /nfs/dbraw/zinc/75/77/89/181757789.db2.gz OVHDVIUNSYLPRY-UHFFFAOYSA-N 1 0 315.446 3.220 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000016604170 182052500 /nfs/dbraw/zinc/05/25/00/182052500.db2.gz VFXMOHJDZZFMGD-ZDUSSCGKSA-N 1 0 324.852 3.098 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000016604358 182052560 /nfs/dbraw/zinc/05/25/60/182052560.db2.gz DMSMOHGTFXOIBZ-GFCCVEGCSA-N 1 0 306.475 3.087 50 0 DGAARO Cc1cc(C)c2c(C[N@H+](C)C[C@H]3COCCO3)cc(C)nc2c1 ZINC000019228796 182108980 /nfs/dbraw/zinc/10/89/80/182108980.db2.gz OZHZBMUAPNWEOW-KRWDZBQOSA-N 1 0 314.429 3.007 50 0 DGAARO CC[C@H](C)[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000019362923 182119135 /nfs/dbraw/zinc/11/91/35/182119135.db2.gz PMYTXVXDWDWUTO-ZDUSSCGKSA-N 1 0 311.267 3.365 50 0 DGAARO COc1ccc(C[NH2+]CCc2ccccc2F)c(OC)c1C ZINC000019582608 182131963 /nfs/dbraw/zinc/13/19/63/182131963.db2.gz WUEUITYGIMFDKP-UHFFFAOYSA-N 1 0 303.377 3.484 50 0 DGAARO Cc1oc(-c2cccc(C)c2)nc1CN1CC[NH+](C(C)C)CC1 ZINC000019743653 182141850 /nfs/dbraw/zinc/14/18/50/182141850.db2.gz FPARFKJCQFJCSX-UHFFFAOYSA-N 1 0 313.445 3.484 50 0 DGAARO COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000019781884 182148163 /nfs/dbraw/zinc/14/81/63/182148163.db2.gz MMKNSOCOAUANFK-UHFFFAOYSA-N 1 0 310.441 3.321 50 0 biogenic DGAARO O=C(CC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000019809243 182152928 /nfs/dbraw/zinc/15/29/28/182152928.db2.gz JBKHBQLYWOUEDY-UHFFFAOYSA-N 1 0 323.392 3.089 50 0 DGAARO Cc1ccc(C(C)(C)C)c(OCCC[NH+]2CCN(C)CC2)c1 ZINC000020118189 182189533 /nfs/dbraw/zinc/18/95/33/182189533.db2.gz RNUFDXSZKSLASH-UHFFFAOYSA-N 1 0 304.478 3.309 50 0 DGAARO Cc1ccn(CC[NH+]2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000020254566 182200210 /nfs/dbraw/zinc/20/02/10/182200210.db2.gz UFXGFASUQXEGCW-UHFFFAOYSA-N 1 0 319.836 3.388 50 0 DGAARO COc1ccc2c(C[N@@H+]3CCc4ccccc4C3)cc(=O)oc2c1 ZINC000020352886 182210200 /nfs/dbraw/zinc/21/02/00/182210200.db2.gz ULPOKEPWRMVWPT-UHFFFAOYSA-N 1 0 321.376 3.360 50 0 biogenic,in-vitro DGAARO O=C(CCCc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020472580 182221896 /nfs/dbraw/zinc/22/18/96/182221896.db2.gz DYCKZIOBENGQCS-UHFFFAOYSA-N 1 0 314.473 3.486 50 0 DGAARO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000020515454 182226509 /nfs/dbraw/zinc/22/65/09/182226509.db2.gz SCBXOQATRCRTKE-GOSISDBHSA-N 1 0 304.503 3.478 50 0 DGAARO CN1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000020639763 182240499 /nfs/dbraw/zinc/24/04/99/182240499.db2.gz USUGCRJQJJHDFJ-UHFFFAOYSA-N 1 0 316.367 3.112 50 0 DGAARO CCCc1ccc(OCCCC[NH+]2CCN(C)CC2)c(OC)c1 ZINC000020652724 182241850 /nfs/dbraw/zinc/24/18/50/182241850.db2.gz QAUKVDZPKFKJKO-UHFFFAOYSA-N 1 0 320.477 3.054 50 0 DGAARO CC(=O)c1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020653356 182242024 /nfs/dbraw/zinc/24/20/24/182242024.db2.gz RWDDDQNNVPKZQX-GJZGRUSLSA-N 1 0 305.418 3.157 50 0 DGAARO CCCOc1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000020595685 182236389 /nfs/dbraw/zinc/23/63/89/182236389.db2.gz NQJPOJAIZPQBHX-UHFFFAOYSA-N 1 0 304.434 3.078 50 0 DGAARO COCCC[N@H+](CCCc1ccc(C)cc1)C1CCN(C)CC1 ZINC000020600885 182236507 /nfs/dbraw/zinc/23/65/07/182236507.db2.gz MJYCNEOQIKHVAT-UHFFFAOYSA-N 1 0 318.505 3.360 50 0 DGAARO O=C(CSc1ccccc1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000020600976 182236691 /nfs/dbraw/zinc/23/66/91/182236691.db2.gz POAQUBAESHEOCB-MRXNPFEDSA-N 1 0 318.486 3.113 50 0 DGAARO OCC1(CCc2ccccc2)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000020779442 182246968 /nfs/dbraw/zinc/24/69/68/182246968.db2.gz ZHAPIPJVFHRRMQ-QGZVFWFLSA-N 1 0 305.487 3.199 50 0 DGAARO Cc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000021148669 182266923 /nfs/dbraw/zinc/26/69/23/182266923.db2.gz NNNXJEJRSULNDF-QGZVFWFLSA-N 1 0 300.446 3.476 50 0 DGAARO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000021175291 182268134 /nfs/dbraw/zinc/26/81/34/182268134.db2.gz ZXUYUDOIIBWYPY-HNNXBMFYSA-N 1 0 301.434 3.381 50 0 DGAARO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021670771 182283198 /nfs/dbraw/zinc/28/31/98/182283198.db2.gz VLZHKZHVGVXWQY-MJBXVCDLSA-N 1 0 308.853 3.323 50 0 DGAARO c1ccc([C@@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000022055494 182307147 /nfs/dbraw/zinc/30/71/47/182307147.db2.gz VUYNWBMXOQBJAI-RDJZCZTQSA-N 1 0 311.381 3.187 50 0 in-vitro DGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccoc1)c1cccc(OC)c1 ZINC000023076422 182347055 /nfs/dbraw/zinc/34/70/55/182347055.db2.gz ZTHADPXTQIYDML-QGZVFWFLSA-N 1 0 316.401 3.101 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1F)c1cccs1 ZINC000023105526 182347894 /nfs/dbraw/zinc/34/78/94/182347894.db2.gz HAKQWOQHQKDQKS-LBPRGKRZSA-N 1 0 310.369 3.059 50 0 DGAARO OCC[C@H]1C[N@@H+](C2CCCCC2)CCN1Cc1ccc(F)cc1 ZINC000023360808 182358560 /nfs/dbraw/zinc/35/85/60/182358560.db2.gz SHGPNRRTUNCQBF-IBGZPJMESA-N 1 0 320.452 3.027 50 0 DGAARO C[NH+](C)CCCNc1nc2ccc(Br)cc2s1 ZINC000026423996 182440575 /nfs/dbraw/zinc/44/05/75/182440575.db2.gz HRZINLDAYDDCAO-UHFFFAOYSA-N 1 0 314.252 3.422 50 0 DGAARO C[C@H](OCc1ccccc1)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030861802 182600196 /nfs/dbraw/zinc/60/01/96/182600196.db2.gz IRQHSWRXHFMUDT-HNNXBMFYSA-N 1 0 312.413 3.292 50 0 DGAARO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000040154532 183040784 /nfs/dbraw/zinc/04/07/84/183040784.db2.gz GQKAIRXYKJDTQO-QGZVFWFLSA-N 1 0 314.385 3.017 50 0 DGAARO CCCC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000040119901 183037519 /nfs/dbraw/zinc/03/75/19/183037519.db2.gz DCVDULCNFNAUFS-UHFFFAOYSA-N 1 0 314.351 3.263 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC000040488442 183078400 /nfs/dbraw/zinc/07/84/00/183078400.db2.gz OCDIGQHXGRPFDQ-MRXNPFEDSA-N 1 0 318.461 3.061 50 0 DGAARO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000042206476 183242493 /nfs/dbraw/zinc/24/24/93/183242493.db2.gz BRDMWMRZDPMQFT-UHFFFAOYSA-N 1 0 324.833 3.389 50 0 DGAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000102686267 193915595 /nfs/dbraw/zinc/91/55/95/193915595.db2.gz CAPKXBVTQCWBKD-ZJNRKIDTSA-N 1 0 302.418 3.188 50 0 DGAARO CCCN(Cc1ccccc1OC)C(=O)CC[NH+]1CCCCC1 ZINC000055245347 183973290 /nfs/dbraw/zinc/97/32/90/183973290.db2.gz DJFPQBDBCLPWQY-UHFFFAOYSA-N 1 0 318.461 3.310 50 0 DGAARO O=C(NCCC[NH+]1CCCCCC1)c1cc2ccccc2o1 ZINC000057288906 184031840 /nfs/dbraw/zinc/03/18/40/184031840.db2.gz CCRHSEKWDTYYRH-UHFFFAOYSA-N 1 0 300.402 3.429 50 0 DGAARO O=C(NC1CCCCC1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000057530832 184041509 /nfs/dbraw/zinc/04/15/09/184041509.db2.gz PYCFGWWBFHSNRD-UHFFFAOYSA-N 1 0 321.490 3.344 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccn1 ZINC000058050785 184071157 /nfs/dbraw/zinc/07/11/57/184071157.db2.gz IZLVTBJBCMGHDV-UHFFFAOYSA-N 1 0 323.440 3.388 50 0 DGAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1F ZINC000058191623 184085966 /nfs/dbraw/zinc/08/59/66/184085966.db2.gz WMLHQUSNGJMYJR-UHFFFAOYSA-N 1 0 304.409 3.210 50 0 DGAARO O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058203327 184087426 /nfs/dbraw/zinc/08/74/26/184087426.db2.gz OMSGXFAXDSMBIV-JTQLQIEISA-N 1 0 313.323 3.064 50 0 DGAARO O[C@@H](C[NH2+]Cc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000058154545 184081329 /nfs/dbraw/zinc/08/13/29/184081329.db2.gz MVFAKAGBPPRHMR-AWEZNQCLSA-N 1 0 311.303 3.408 50 0 DGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCC1 ZINC000058343951 184107224 /nfs/dbraw/zinc/10/72/24/184107224.db2.gz YRPUNRRKEFBWJA-AWEZNQCLSA-N 1 0 306.475 3.267 50 0 DGAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000058377801 184110189 /nfs/dbraw/zinc/11/01/89/184110189.db2.gz WXQWJMIEGZNVSK-CYBMUJFWSA-N 1 0 324.852 3.098 50 0 DGAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058377688 184110223 /nfs/dbraw/zinc/11/02/23/184110223.db2.gz OJXYXPODKAUEDR-KBPBESRZSA-N 1 0 310.401 3.330 50 0 DGAARO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000058264633 184095737 /nfs/dbraw/zinc/09/57/37/184095737.db2.gz HIMOYBIFLOMJKH-FUHWJXTLSA-N 1 0 302.462 3.417 50 0 DGAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@H](c1ccco1)c1ccccc1)CN2 ZINC000058331366 184106546 /nfs/dbraw/zinc/10/65/46/184106546.db2.gz PNFSYFXDZPHHJL-BEFAXECRSA-N 1 0 322.412 3.205 50 0 DGAARO CC[NH+](CC)Cc1ccccc1NC(=O)NCC[C@@H]1CCCO1 ZINC000058393665 184112660 /nfs/dbraw/zinc/11/26/60/184112660.db2.gz ZLDRTXRSZIVJPA-INIZCTEOSA-N 1 0 319.449 3.219 50 0 DGAARO CC(=O)c1cccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000058413173 184114822 /nfs/dbraw/zinc/11/48/22/184114822.db2.gz NCPNKSWICAWHOE-UHFFFAOYSA-N 1 0 317.433 3.227 50 0 DGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/c2cccs2)C1 ZINC000064820936 184303713 /nfs/dbraw/zinc/30/37/13/184303713.db2.gz BPJRSIRSQXWTMM-VFNNOXKTSA-N 1 0 306.475 3.388 50 0 DGAARO Cc1cccc(NC(=O)CN(C)CC[NH+]2CCCCCC2)c1C ZINC000065384499 184333526 /nfs/dbraw/zinc/33/35/26/184333526.db2.gz HBGUQPCCUKLPKJ-UHFFFAOYSA-N 1 0 317.477 3.050 50 0 DGAARO CCc1nccn1CCc1nc(C(C)C)nn1-c1cc[nH+]cc1C ZINC000065394049 184334482 /nfs/dbraw/zinc/33/44/82/184334482.db2.gz XIFWOFZEGDTZRU-UHFFFAOYSA-N 1 0 324.432 3.096 50 0 DGAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000065286746 184322135 /nfs/dbraw/zinc/32/21/35/184322135.db2.gz DICTZEQQHZPWJZ-OAHLLOKOSA-N 1 0 312.417 3.070 50 0 DGAARO c1nnc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1Cc1ccccc1 ZINC000065287814 184322591 /nfs/dbraw/zinc/32/25/91/184322591.db2.gz FZIAWQAPWRISPO-QGZVFWFLSA-N 1 0 310.445 3.448 50 0 DGAARO Cn1cccc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000065287321 184322708 /nfs/dbraw/zinc/32/27/08/184322708.db2.gz MRHRTLTTYTUMFO-UHFFFAOYSA-N 1 0 321.428 3.190 50 0 DGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cnoc2-c2ccccc2)C1 ZINC000065288889 184323199 /nfs/dbraw/zinc/32/31/99/184323199.db2.gz OVDDMOHZQUSKKQ-HNNXBMFYSA-N 1 0 314.385 3.117 50 0 DGAARO Cc1ncsc1CC[N@@H+](C)C1CCN(Cc2ccco2)CC1 ZINC000065371242 184329878 /nfs/dbraw/zinc/32/98/78/184329878.db2.gz ZFUKOLQJJQAREP-UHFFFAOYSA-N 1 0 319.474 3.183 50 0 DGAARO c1coc(-c2cc(C[NH2+][C@H]3CCN(c4ccccc4)C3)no2)c1 ZINC000065374009 184330801 /nfs/dbraw/zinc/33/08/01/184330801.db2.gz HXIYIGMLIKJHFC-AWEZNQCLSA-N 1 0 309.369 3.303 50 0 DGAARO CCOc1cc([C@H]2[NH2+]CCc3nc[nH]c32)cc(Cl)c1OCC ZINC000065408440 184339387 /nfs/dbraw/zinc/33/93/87/184339387.db2.gz VMEGAFZALXQXMC-CQSZACIVSA-N 1 0 321.808 3.096 50 0 DGAARO Cc1ccccc1-c1noc(C[N@H+](C)CCC[C@@H]2CCCO2)n1 ZINC000065410844 184340036 /nfs/dbraw/zinc/34/00/36/184340036.db2.gz VNQGGOZHCWWZRR-OAHLLOKOSA-N 1 0 315.417 3.436 50 0 DGAARO CCCCC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)CCC ZINC000065412871 184340448 /nfs/dbraw/zinc/34/04/48/184340448.db2.gz AGTFUBGOMQOLIJ-CYBMUJFWSA-N 1 0 319.453 3.250 50 0 DGAARO CCCCC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)CCC ZINC000065412869 184340579 /nfs/dbraw/zinc/34/05/79/184340579.db2.gz AGTFUBGOMQOLIJ-ZDUSSCGKSA-N 1 0 319.453 3.250 50 0 DGAARO O[C@@H]1C[N@H+](C/C=C/c2ccco2)CC[C@H]1c1ccc(F)cc1 ZINC000065420665 184341238 /nfs/dbraw/zinc/34/12/38/184341238.db2.gz SFFWPTSAAWCYTQ-OHSHEKCOSA-N 1 0 301.361 3.282 50 0 DGAARO CC[C@@H](Nc1nc(CC[NH3+])nc2ccccc21)c1ncccc1C ZINC000065434488 184344603 /nfs/dbraw/zinc/34/46/03/184344603.db2.gz XTMNLAQARBRFPR-OAHLLOKOSA-N 1 0 321.428 3.398 50 0 DGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000065462782 184348828 /nfs/dbraw/zinc/34/88/28/184348828.db2.gz BMINBGWQPLHNML-MBNYWOFBSA-N 1 0 309.841 3.146 50 0 DGAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCCOc1ccccc1 ZINC000065474259 184351153 /nfs/dbraw/zinc/35/11/53/184351153.db2.gz IBNFZYXRJMMDOH-UHFFFAOYSA-N 1 0 308.385 3.030 50 0 DGAARO COc1cccc([C@@H]2CC[N@H+](Cc3sccc3C)C[C@H]2O)c1 ZINC000065398075 184336107 /nfs/dbraw/zinc/33/61/07/184336107.db2.gz CSGXZDBWBCKKEC-DLBZAZTESA-N 1 0 317.454 3.416 50 0 DGAARO CCC[NH+]1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1 ZINC000065591116 184369959 /nfs/dbraw/zinc/36/99/59/184369959.db2.gz BVARRAMBZQNFDA-UHFFFAOYSA-N 1 0 300.446 3.099 50 0 DGAARO CCc1csc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000065507625 184356848 /nfs/dbraw/zinc/35/68/48/184356848.db2.gz NTJWPZZJNRXUCH-INIZCTEOSA-N 1 0 301.459 3.070 50 0 DGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000069459785 184517241 /nfs/dbraw/zinc/51/72/41/184517241.db2.gz PKALIVIHIHTYIX-HZPDHXFCSA-N 1 0 309.417 3.117 50 0 DGAARO COCC[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000055504856 285008908 /nfs/dbraw/zinc/00/89/08/285008908.db2.gz BWRNTYPAPOLKHM-CQSZACIVSA-N 1 0 317.429 3.293 50 0 DGAARO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000159199679 197335194 /nfs/dbraw/zinc/33/51/94/197335194.db2.gz OPFSCEAGPCDHTE-KRWDZBQOSA-N 1 0 320.477 3.099 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)CCCc2cc(C)sc2C)C1 ZINC000159109639 197328831 /nfs/dbraw/zinc/32/88/31/197328831.db2.gz KVMPXNVHNWGTFI-HNNXBMFYSA-N 1 0 308.491 3.146 50 0 DGAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)C1 ZINC000255139792 285133981 /nfs/dbraw/zinc/13/39/81/285133981.db2.gz JOOSOLMRVFZNJW-SROOVFNMSA-N 1 0 313.228 3.075 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(C)c(Cl)c2)C1 ZINC000255298092 285143296 /nfs/dbraw/zinc/14/32/96/285143296.db2.gz IYLULYFBRTUUSA-LZNQSLFOSA-N 1 0 306.837 3.120 50 0 DGAARO COC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccco1 ZINC000156645882 197130531 /nfs/dbraw/zinc/13/05/31/197130531.db2.gz CHEBQBGUCUUXJQ-QGZVFWFLSA-N 1 0 300.402 3.226 50 0 DGAARO CCC[NH+]1CCC(CNc2ncnc3c(F)cccc23)CC1 ZINC000252483842 256611614 /nfs/dbraw/zinc/61/16/14/256611614.db2.gz FJTMJEGZZYKACN-UHFFFAOYSA-N 1 0 302.397 3.303 50 0 DGAARO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)ccc2O1 ZINC000095380279 257271883 /nfs/dbraw/zinc/27/18/83/257271883.db2.gz GTQFEGYZBWXYED-LJQANCHMSA-N 1 0 301.430 3.403 50 0 DGAARO O[C@H](C[NH+]1CCC(Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000371442216 257235955 /nfs/dbraw/zinc/23/59/55/257235955.db2.gz HAJLCBJUFYXOOU-LJQANCHMSA-N 1 0 314.404 3.209 50 0 DGAARO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000236632995 257239334 /nfs/dbraw/zinc/23/93/34/257239334.db2.gz JDZBWUVMOAFAAT-UXLLHSPISA-N 1 0 318.461 3.224 50 0 DGAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000237404839 257239640 /nfs/dbraw/zinc/23/96/40/257239640.db2.gz XVNIETHJSPOEIK-FKULILBMSA-N 1 0 312.335 3.057 50 0 DGAARO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000095422825 257253439 /nfs/dbraw/zinc/25/34/39/257253439.db2.gz NVMCDAQICBYVJN-ZJUUUORDSA-N 1 0 301.217 3.265 50 0 DGAARO C[N@@H+]1CC[C@@H](Nc2nc3ccccc3c(=O)[nH]2)[C@H]1c1ccccc1 ZINC000278806924 257257317 /nfs/dbraw/zinc/25/73/17/257257317.db2.gz RUEVDGYHHAIWON-IAGOWNOFSA-N 1 0 320.396 3.193 50 0 DGAARO C[NH+]1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000020220071 257269007 /nfs/dbraw/zinc/26/90/07/257269007.db2.gz IDOPXQOPPVYJTP-UHFFFAOYSA-N 1 0 322.452 3.419 50 0 DGAARO CSc1ccc(C[N@H+]2CCc3nnc(C(C)C)n3CC2)cc1 ZINC000023191865 257269128 /nfs/dbraw/zinc/26/91/28/257269128.db2.gz RVZRFVBASCBMJH-UHFFFAOYSA-N 1 0 316.474 3.182 50 0 DGAARO Cc1nnc([C@H]2CCC[N@H+](CCSc3ccccc3)C2)[nH]1 ZINC000349386104 285343519 /nfs/dbraw/zinc/34/35/19/285343519.db2.gz REIYWFJFHQHXGX-AWEZNQCLSA-N 1 0 302.447 3.085 50 0 DGAARO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C(/C)C1CC1 ZINC000066726999 400113011 /nfs/dbraw/zinc/11/30/11/400113011.db2.gz WOGUHXYSPUZWAM-QINSGFPZSA-N 1 0 300.446 3.453 50 0 DGAARO O=C1OCC2(CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000026156020 400253462 /nfs/dbraw/zinc/25/34/62/400253462.db2.gz FNUARWDJOMXWEW-UHFFFAOYSA-N 1 0 321.420 3.433 50 0 DGAARO c1ncc(CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000097372191 400285473 /nfs/dbraw/zinc/28/54/73/400285473.db2.gz DBWMNLQTOBNVCP-JQHSSLGASA-N 1 0 313.470 3.143 50 0 DGAARO CNC(=O)Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cs1 ZINC000072309159 400381324 /nfs/dbraw/zinc/38/13/24/400381324.db2.gz VWBDLMMUWLIOSM-KBPBESRZSA-N 1 0 323.506 3.126 50 0 DGAARO O=C([C@@H]1CC12CCCC2)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072310342 400381504 /nfs/dbraw/zinc/38/15/04/400381504.db2.gz VHNOKBHGBRRZLM-INIZCTEOSA-N 1 0 318.486 3.363 50 0 DGAARO CC(=O)O[C@H](C[NH2+]C(C)C)COc1cccc2ccccc21 ZINC000032197136 400360442 /nfs/dbraw/zinc/36/04/42/400360442.db2.gz KIQZYYYXMURMTK-MRXNPFEDSA-N 1 0 301.386 3.148 50 0 DGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000072269876 400376771 /nfs/dbraw/zinc/37/67/71/400376771.db2.gz WUIGYUREZGSYMW-JKSUJKDBSA-N 1 0 309.417 3.117 50 0 DGAARO C[C@H]([NH2+]C1CC(c2ccccc2F)C1)C(=O)N1CCCCC1 ZINC000127429223 400502396 /nfs/dbraw/zinc/50/23/96/400502396.db2.gz UZWDLOYSJDQKBZ-NFOMZHRRSA-N 1 0 304.409 3.062 50 0 DGAARO COc1c2c(cc3c1[C@H](Cc1ccccc1)[N@H+](C)CC3)OCO2 ZINC000075279236 400568876 /nfs/dbraw/zinc/56/88/76/400568876.db2.gz DFIKUJZUVRWGJB-HNNXBMFYSA-N 1 0 311.381 3.196 50 0 DGAARO CCn1cc(C[NH2+][C@@H]2CCCc3c2cnn3C(C)(C)C)cn1 ZINC000075610577 400597979 /nfs/dbraw/zinc/59/79/79/400597979.db2.gz ALRJYMNSDHPRNU-OAHLLOKOSA-N 1 0 301.438 3.022 50 0 DGAARO CCC(CC)[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CCO1 ZINC000157892699 400721489 /nfs/dbraw/zinc/72/14/89/400721489.db2.gz VAGDTCNDNJCNCF-DLBZAZTESA-N 1 0 311.466 3.246 50 0 DGAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000169781526 400761116 /nfs/dbraw/zinc/76/11/16/400761116.db2.gz AZBOXYMDGGSVHH-FQEVSTJZSA-N 1 0 314.473 3.384 50 0 DGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000169783903 400761419 /nfs/dbraw/zinc/76/14/19/400761419.db2.gz DTPUPFHIYTWCQC-OAHLLOKOSA-N 1 0 322.399 3.045 50 0 DGAARO CCNC(=O)N1CCCCC[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000169775144 400761481 /nfs/dbraw/zinc/76/14/81/400761481.db2.gz TVPUDEYZARNCNA-GOSISDBHSA-N 1 0 315.461 3.019 50 0 DGAARO O=C1CCCCN1CCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000170692910 400769581 /nfs/dbraw/zinc/76/95/81/400769581.db2.gz ZZPGZYAPJNOTBM-UHFFFAOYSA-N 1 0 312.816 3.361 50 0 DGAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cccc(F)c1 ZINC000078896885 400831442 /nfs/dbraw/zinc/83/14/42/400831442.db2.gz BKRJJVALZOLBCU-IGCXYCKISA-N 1 0 304.409 3.123 50 0 DGAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cc(F)ccc1F ZINC000078896983 400831446 /nfs/dbraw/zinc/83/14/46/400831446.db2.gz XIRBSCIULUCRRS-PRXAMGSTSA-N 1 0 322.399 3.262 50 0 DGAARO COc1cc(OC)cc([C@@H]2CC[N@H+](CC3(O)CCCCC3)C2)c1 ZINC000175597938 400867539 /nfs/dbraw/zinc/86/75/39/400867539.db2.gz VNRATYMTHUIMOY-OAHLLOKOSA-N 1 0 319.445 3.188 50 0 DGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cscn1 ZINC000079762057 400894623 /nfs/dbraw/zinc/89/46/23/400894623.db2.gz QWBDBTSRRWQFPY-QAPCUYQASA-N 1 0 315.486 3.486 50 0 DGAARO COC1(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CCOCC1 ZINC000188255425 400908215 /nfs/dbraw/zinc/90/82/15/400908215.db2.gz XSFYHRLZONTXIS-ZWKOTPCHSA-N 1 0 303.446 3.282 50 0 DGAARO O[C@H](C[NH2+]C1c2ccccc2-c2ccccc21)c1ccncc1 ZINC000195555543 400925590 /nfs/dbraw/zinc/92/55/90/400925590.db2.gz QBUMOPRDJHUKBV-LJQANCHMSA-N 1 0 302.377 3.475 50 0 DGAARO COC1CCN(CC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000195555517 400925772 /nfs/dbraw/zinc/92/57/72/400925772.db2.gz XTCXFOVHPIDNIE-UHFFFAOYSA-N 1 0 322.452 3.457 50 0 DGAARO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCSCC1 ZINC000245287301 401005283 /nfs/dbraw/zinc/00/52/83/401005283.db2.gz BVSOUDSQZHHPBC-CRAIPNDOSA-N 1 0 304.503 3.382 50 0 DGAARO CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)C1 ZINC000229909079 400965937 /nfs/dbraw/zinc/96/59/37/400965937.db2.gz LEBDKGSREWHYOJ-GRYCIOLGSA-N 1 0 316.371 3.071 50 0 DGAARO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3ccnc3)C2)s1 ZINC000229548080 400966570 /nfs/dbraw/zinc/96/65/70/400966570.db2.gz VVBAPLGBJFUQJV-RBSFLKMASA-N 1 0 315.442 3.220 50 0 DGAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000247987963 401063837 /nfs/dbraw/zinc/06/38/37/401063837.db2.gz KYDBGAHMYIXSCE-RKVPGOIHSA-N 1 0 300.446 3.395 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1cccs1 ZINC000248159121 401066670 /nfs/dbraw/zinc/06/66/70/401066670.db2.gz WWFBIOGBTMHJBF-HZPDHXFCSA-N 1 0 306.475 3.156 50 0 DGAARO CN(C(=O)C[NH+]1CCCCCC1)[C@H]1CCCc2ccccc21 ZINC000061744762 401160801 /nfs/dbraw/zinc/16/08/01/401160801.db2.gz WGURVMATKWOCOF-SFHVURJKSA-N 1 0 300.446 3.398 50 0 DGAARO OCC[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000630054676 401171360 /nfs/dbraw/zinc/17/13/60/401171360.db2.gz DHGAVJJMKGCRFD-XWSJACJDSA-N 1 0 315.457 3.090 50 0 DGAARO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC(F)(F)F)C2=O)cc1 ZINC000090101044 401257130 /nfs/dbraw/zinc/25/71/30/401257130.db2.gz YQPMFXHGYVYJBP-DGCLKSJQSA-N 1 0 300.324 3.031 50 0 DGAARO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000066196966 401295962 /nfs/dbraw/zinc/29/59/62/401295962.db2.gz XLWASFMLSARGGW-HOTGVXAUSA-N 1 0 305.466 3.428 50 0 DGAARO COc1c(C)cc(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000067789962 286178616 /nfs/dbraw/zinc/17/86/16/286178616.db2.gz HZMFYTWTPSTDRS-HNNXBMFYSA-N 1 0 316.445 3.011 50 0 DGAARO COc1ccc(NC(=S)N2CCC([N@H+](C)C(C)C)CC2)cc1 ZINC000000261020 286336528 /nfs/dbraw/zinc/33/65/28/286336528.db2.gz YDNGAOLDWJZHRP-UHFFFAOYSA-N 1 0 321.490 3.197 50 0 DGAARO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H](C)C2)C(C)C)cc1 ZINC000036437898 286358439 /nfs/dbraw/zinc/35/84/39/286358439.db2.gz KLLWBTBMNOYGII-KXBFYZLASA-N 1 0 318.461 3.240 50 0 DGAARO COc1cccc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)c1OC(C)C ZINC000069368894 286452279 /nfs/dbraw/zinc/45/22/79/286452279.db2.gz RCSSSUHYGBSBJY-LSDHHAIUSA-N 1 0 317.433 3.418 50 0 DGAARO C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C ZINC000096493201 287054618 /nfs/dbraw/zinc/05/46/18/287054618.db2.gz SWFNMBMPDDAPNT-QMTHXVAHSA-N 1 0 314.351 3.223 50 0 DGAARO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cccc(OC)n1 ZINC000191607509 165261541 /nfs/dbraw/zinc/26/15/41/165261541.db2.gz SYYFESGBCXOSAB-HNNXBMFYSA-N 1 0 312.413 3.309 50 0 DGAARO CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129217642 196030627 /nfs/dbraw/zinc/03/06/27/196030627.db2.gz RLDUFMIBRFXVRI-UONOGXRCSA-N 1 0 314.351 3.257 50 0 DGAARO Fc1cnc(NCC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000269452863 432175182 /nfs/dbraw/zinc/17/51/82/432175182.db2.gz DYKZPVWWLMNEDA-UHFFFAOYSA-N 1 0 306.410 3.001 50 0 DGAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000299749781 229393189 /nfs/dbraw/zinc/39/31/89/229393189.db2.gz LMGODGVIRHFSGI-KSYCFECVSA-N 1 0 306.837 3.172 50 0 DGAARO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000095422666 262545913 /nfs/dbraw/zinc/54/59/13/262545913.db2.gz QBKSLCXODDZQMT-OALUTQOASA-N 1 0 313.397 3.014 50 0 DGAARO OC1CC(CC[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353218789 265348409 /nfs/dbraw/zinc/34/84/09/265348409.db2.gz KNQKGXNLCRWKOO-UHFFFAOYSA-N 1 0 304.415 3.076 50 0 DGAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000191330754 432251197 /nfs/dbraw/zinc/25/11/97/432251197.db2.gz CRIBWQXHTFIRCY-HZSPNIEDSA-N 1 0 313.228 3.047 50 0 DGAARO COc1ccc(-n2cccn2)c(C[N@H+](C)[C@H](C)c2ccncc2)c1 ZINC000215589568 274105429 /nfs/dbraw/zinc/10/54/29/274105429.db2.gz BBTCPVCQQHJLOJ-OAHLLOKOSA-N 1 0 322.412 3.469 50 0 DGAARO c1cnn(-c2ccccc2C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000244723653 275074094 /nfs/dbraw/zinc/07/40/94/275074094.db2.gz MFDTVJGVKURANI-UHFFFAOYSA-N 1 0 305.381 3.267 50 0 DGAARO CCCN(CCC[NH+](C)C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000239667827 275998063 /nfs/dbraw/zinc/99/80/63/275998063.db2.gz BRPUNISRTWEHRG-UHFFFAOYSA-N 1 0 301.434 3.280 50 0 DGAARO COC(=O)N1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000097230593 277333588 /nfs/dbraw/zinc/33/35/88/277333588.db2.gz AKXLRVWGCXZRBI-INIZCTEOSA-N 1 0 306.381 3.024 50 0 DGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@H]1C ZINC000242106200 278522957 /nfs/dbraw/zinc/52/29/57/278522957.db2.gz WHUVVLSTUBWZTE-KEYYUXOJSA-N 1 0 309.475 3.146 50 0 DGAARO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000108372370 431134898 /nfs/dbraw/zinc/13/48/98/431134898.db2.gz NIFDFUUUBICVFU-LESCRADOSA-N 1 0 321.486 3.271 50 0 DGAARO CCOCCN1CC[N@@H+]([C@H](C)CCc2ccccc2)C[C@@H]1C ZINC000108348149 431133540 /nfs/dbraw/zinc/13/35/40/431133540.db2.gz GZSUCVASCKHUNC-MSOLQXFVSA-N 1 0 304.478 3.050 50 0 DGAARO C[NH+]1CCN(c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000000163647 431135674 /nfs/dbraw/zinc/13/56/74/431135674.db2.gz DBDJNROBPJKNNI-UHFFFAOYSA-N 1 0 304.397 3.049 50 0 DGAARO C[C@H](C1CC1)[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C1CC1 ZINC000031654953 279241892 /nfs/dbraw/zinc/24/18/92/279241892.db2.gz SXHDLOBJOSSRAA-LLVKDONJSA-N 1 0 317.820 3.111 50 0 DGAARO COc1ccc(C[NH2+]Cc2cc(OC)cc(OC)c2)c(OC)c1 ZINC000000172223 431140254 /nfs/dbraw/zinc/14/02/54/431140254.db2.gz BQDQCUMFHPQCKL-UHFFFAOYSA-N 1 0 317.385 3.011 50 0 DGAARO CN(Cc1cc(Br)cs1)C1CC[NH+](C)CC1 ZINC000000199303 431143815 /nfs/dbraw/zinc/14/38/15/431143815.db2.gz PHFGXJHQIMCHNF-UHFFFAOYSA-N 1 0 303.269 3.037 50 0 DGAARO C[C@H]([NH3+])[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000021948401 279402556 /nfs/dbraw/zinc/40/25/56/279402556.db2.gz KKBVMNKYVQAAIK-GUYCJALGSA-N 1 0 319.449 3.098 50 0 DGAARO CC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000109033192 431164802 /nfs/dbraw/zinc/16/48/02/431164802.db2.gz VRFZBJIQPMQNMG-UONOGXRCSA-N 1 0 317.433 3.274 50 0 DGAARO C[N@@H+]1C[C@@]2(C)CN(C(=S)Nc3ccccc3)C[C@@](C)(C1)C2 ZINC000000346323 431168761 /nfs/dbraw/zinc/16/87/61/431168761.db2.gz RHDRZTNIKIGIQY-CALCHBBNSA-N 1 0 303.475 3.047 50 0 DGAARO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000069386100 431182146 /nfs/dbraw/zinc/18/21/46/431182146.db2.gz TUHBCZHAOBBSJB-YOEHRIQHSA-N 1 0 319.424 3.157 50 0 DGAARO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C)Cn1cccn1 ZINC000069393335 431183837 /nfs/dbraw/zinc/18/38/37/431183837.db2.gz YMZKSXZDPLEDAP-LLVKDONJSA-N 1 0 302.403 3.086 50 0 DGAARO COc1ccc([C@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)cc1Cl ZINC000069442119 431187010 /nfs/dbraw/zinc/18/70/10/431187010.db2.gz ILHPIBCOHWIBHB-LBPRGKRZSA-N 1 0 324.852 3.210 50 0 DGAARO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000207508 431145152 /nfs/dbraw/zinc/14/51/52/431145152.db2.gz ZHWIPJJFGLXBNG-UHFFFAOYSA-N 1 0 300.377 3.157 50 0 DGAARO COc1ccc(OC)c(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000000212034 431147111 /nfs/dbraw/zinc/14/71/11/431147111.db2.gz REPBFNPPAKHMNP-ZIAGYGMSSA-N 1 0 320.433 3.010 50 0 DGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000000238440 431149513 /nfs/dbraw/zinc/14/95/13/431149513.db2.gz ZZCGZFNNNWWBHU-OAHLLOKOSA-N 1 0 308.853 3.420 50 0 DGAARO NC(=O)[C@H]([NH2+]CC1(Sc2ccccc2)CC1)c1ccccc1 ZINC000068951740 431153783 /nfs/dbraw/zinc/15/37/83/431153783.db2.gz XGWLRYQMRRJXOO-MRXNPFEDSA-N 1 0 312.438 3.128 50 0 DGAARO Cc1ccccc1NC(=S)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000000261040 431156035 /nfs/dbraw/zinc/15/60/35/431156035.db2.gz XKMJPHBMPNAQAY-UHFFFAOYSA-N 1 0 305.491 3.496 50 0 DGAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cc(-c3cccs3)on2)c1 ZINC000069598018 431203784 /nfs/dbraw/zinc/20/37/84/431203784.db2.gz KAFOYKIUUFVDRL-GFCCVEGCSA-N 1 0 302.403 3.086 50 0 DGAARO COc1cccc([C@H](CNC(=O)Nc2cccs2)[NH+](C)C)c1 ZINC000069664241 431208266 /nfs/dbraw/zinc/20/82/66/431208266.db2.gz PWFKYPPONQRPPP-AWEZNQCLSA-N 1 0 319.430 3.181 50 0 DGAARO C[NH+]1CCC(C2(O)c3ccccc3CCc3ccccc32)CC1 ZINC000000974428 431210936 /nfs/dbraw/zinc/21/09/36/431210936.db2.gz QDKMXGVBRPWKII-UHFFFAOYSA-N 1 0 307.437 3.363 50 0 DGAARO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000001078538 431214894 /nfs/dbraw/zinc/21/48/94/431214894.db2.gz IOSHWMJSTKVNLU-KRWDZBQOSA-N 1 0 319.445 3.284 50 0 DGAARO COc1ccc([C@H](C)[NH+]2CCC(n3cncn3)CC2)cc1Cl ZINC000069777919 431218842 /nfs/dbraw/zinc/21/88/42/431218842.db2.gz QWZNRBVJNLNGBR-LBPRGKRZSA-N 1 0 320.824 3.338 50 0 DGAARO Cc1cnn(CC[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000069896989 431227914 /nfs/dbraw/zinc/22/79/14/431227914.db2.gz CAMUHGDKHNQEAU-UHFFFAOYSA-N 1 0 304.444 3.166 50 0 DGAARO Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069920239 431231891 /nfs/dbraw/zinc/23/18/91/431231891.db2.gz GWWNMIGKNQWMCL-INIZCTEOSA-N 1 0 321.428 3.189 50 0 DGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000069929855 431232586 /nfs/dbraw/zinc/23/25/86/431232586.db2.gz GPJHKHZOWNTIST-RBUKOAKNSA-N 1 0 323.440 3.210 50 0 DGAARO CCOc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000069921445 431233270 /nfs/dbraw/zinc/23/32/70/431233270.db2.gz XNAYDKDODNEZCK-LBPRGKRZSA-N 1 0 311.385 3.106 50 0 DGAARO CC[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000001628523 431233920 /nfs/dbraw/zinc/23/39/20/431233920.db2.gz HGHSAQKKTCGYPM-QUCCMNQESA-N 1 0 309.409 3.099 50 0 DGAARO Clc1ccccc1-c1nc(C[NH2+]CCn2cccn2)cs1 ZINC000069973113 431236033 /nfs/dbraw/zinc/23/60/33/431236033.db2.gz VCOHCYUTGJBCKC-UHFFFAOYSA-N 1 0 318.833 3.450 50 0 DGAARO Cc1cccc(C2(C(=O)N(C)C3CC[NH+](C)CC3)CCCC2)c1 ZINC000069979091 431236996 /nfs/dbraw/zinc/23/69/96/431236996.db2.gz YTAXKZKBAHYPTR-UHFFFAOYSA-N 1 0 314.473 3.359 50 0 DGAARO C[NH+](C)CCCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000001771828 431239480 /nfs/dbraw/zinc/23/94/80/431239480.db2.gz PNENGZSEXRSPLA-UHFFFAOYSA-N 1 0 307.401 3.055 50 0 DGAARO COc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002000702 431240499 /nfs/dbraw/zinc/24/04/99/431240499.db2.gz GOMGPNJCLGRCDY-UHFFFAOYSA-N 1 0 324.424 3.090 50 0 DGAARO CNc1nc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cs1 ZINC000071497915 431283416 /nfs/dbraw/zinc/28/34/16/431283416.db2.gz LMSZPGVIYTUDKY-INIZCTEOSA-N 1 0 322.522 3.127 50 0 DGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)C[NH+]2CCCC2)c1C ZINC000071776661 431287891 /nfs/dbraw/zinc/28/78/91/431287891.db2.gz CMZRPAUIMHLTDU-UHFFFAOYSA-N 1 0 313.445 3.059 50 0 DGAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000003683680 431291872 /nfs/dbraw/zinc/29/18/72/431291872.db2.gz BVYKKUURSMZYIA-QGZVFWFLSA-N 1 0 302.418 3.275 50 0 DGAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)CC1 ZINC000071853409 431298853 /nfs/dbraw/zinc/29/88/53/431298853.db2.gz GCYCIGBMJUYXSB-LSDHHAIUSA-N 1 0 306.475 3.103 50 0 DGAARO CCOCCCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000071909303 431313184 /nfs/dbraw/zinc/31/31/84/431313184.db2.gz WWHZIDZZEVRKEK-INIZCTEOSA-N 1 0 318.461 3.145 50 0 DGAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000002645141 431260113 /nfs/dbraw/zinc/26/01/13/431260113.db2.gz PLCOWYWDBBRCQR-QGZVFWFLSA-N 1 0 316.832 3.302 50 0 DGAARO CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCC1 ZINC000073442655 431370667 /nfs/dbraw/zinc/37/06/67/431370667.db2.gz ZAGVUDBSUBUEGK-HNNXBMFYSA-N 1 0 305.422 3.001 50 0 DGAARO O=C(Nc1ccccc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000006742420 431318193 /nfs/dbraw/zinc/31/81/93/431318193.db2.gz HAVGPDUNASHCHX-UHFFFAOYSA-N 1 0 305.397 3.308 50 0 DGAARO C[NH+]1CCC([C@](O)(c2ccccc2)c2cccc(Cl)n2)CC1 ZINC000006638593 431319831 /nfs/dbraw/zinc/31/98/31/431319831.db2.gz LMPGJYLFIUIRRY-GOSISDBHSA-N 1 0 316.832 3.313 50 0 DGAARO C[C@@H](CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1 ZINC000072437084 431333773 /nfs/dbraw/zinc/33/37/73/431333773.db2.gz ZSMNATHERATUOC-INIZCTEOSA-N 1 0 319.408 3.465 50 0 DGAARO CC(C)[N@@H+]1CCC[C@H](Cc2cnc(Br)cn2)CC1 ZINC000072343855 431334724 /nfs/dbraw/zinc/33/47/24/431334724.db2.gz BGDSKTCHPQLOLN-LBPRGKRZSA-N 1 0 312.255 3.292 50 0 DGAARO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000007984437 431372722 /nfs/dbraw/zinc/37/27/22/431372722.db2.gz MKLMIDYWXKRXGJ-ZDUSSCGKSA-N 1 0 309.417 3.073 50 0 DGAARO CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000074120326 431400222 /nfs/dbraw/zinc/40/02/22/431400222.db2.gz SOAXGBJOVPNHGL-HZPDHXFCSA-N 1 0 306.475 3.104 50 0 DGAARO Cc1ccc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009502515 431437897 /nfs/dbraw/zinc/43/78/97/431437897.db2.gz FHGOMACSXMYNLJ-QGZVFWFLSA-N 1 0 312.413 3.084 50 0 DGAARO C[C@@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474589 431464035 /nfs/dbraw/zinc/46/40/35/431464035.db2.gz WLAINKHYRWQQTH-CYBMUJFWSA-N 1 0 305.805 3.389 50 0 DGAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCCC[C@H]1CO ZINC000012582468 431519944 /nfs/dbraw/zinc/51/99/44/431519944.db2.gz JAVNGJKBSJQNAB-HNNXBMFYSA-N 1 0 322.355 3.275 50 0 DGAARO COCCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 ZINC000012659984 431522111 /nfs/dbraw/zinc/52/21/11/431522111.db2.gz BGKMCMULUPGYJR-LORHWOILSA-N 1 0 321.461 3.071 50 0 biogenic DGAARO Cc1ncsc1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012752001 431525442 /nfs/dbraw/zinc/52/54/42/431525442.db2.gz YOHIWPRTYODNAL-CQSZACIVSA-N 1 0 321.490 3.369 50 0 DGAARO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000012762392 431526293 /nfs/dbraw/zinc/52/62/93/431526293.db2.gz XWXLDRKMPLYQAN-INIZCTEOSA-N 1 0 318.461 3.143 50 0 DGAARO COc1ccc(OCCSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000012866403 431531593 /nfs/dbraw/zinc/53/15/93/431531593.db2.gz NOZUYOHBQCERAJ-GASCZTMLSA-N 1 0 306.431 3.078 50 0 DGAARO Cc1occc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011874878 431485827 /nfs/dbraw/zinc/48/58/27/431485827.db2.gz ZLMTZPCTBIYNBW-MRXNPFEDSA-N 1 0 304.434 3.363 50 0 DGAARO Cc1cccc(OCC(=O)NCC2([NH+](C)C)CCCCC2)c1C ZINC000011916213 431487903 /nfs/dbraw/zinc/48/79/03/431487903.db2.gz LKYOIOFGFQIKRT-UHFFFAOYSA-N 1 0 318.461 3.063 50 0 DGAARO O=C1CC[N@@H+](Cc2ccco2)CCN1Cc1cccc(Cl)c1 ZINC000012218663 431495608 /nfs/dbraw/zinc/49/56/08/431495608.db2.gz VFFSFFSLZRIULQ-UHFFFAOYSA-N 1 0 318.804 3.168 50 0 DGAARO CC(=O)Nc1cccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1 ZINC000075898570 431503160 /nfs/dbraw/zinc/50/31/60/431503160.db2.gz JJQYMFWYRWELFB-IBGZPJMESA-N 1 0 312.413 3.201 50 0 DGAARO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)CC1CCOCC1 ZINC000012372837 431504045 /nfs/dbraw/zinc/50/40/45/431504045.db2.gz AJVYEPXAQVEJOK-UHFFFAOYSA-N 1 0 321.808 3.248 50 0 DGAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCSCC3)C2)c1 ZINC000012465534 431510977 /nfs/dbraw/zinc/51/09/77/431510977.db2.gz QIRQHQPJAKRNMU-OAHLLOKOSA-N 1 0 319.470 3.486 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccsc1 ZINC000013011121 431543098 /nfs/dbraw/zinc/54/30/98/431543098.db2.gz HYLWEXNQXKVCHM-HNNXBMFYSA-N 1 0 322.861 3.363 50 0 DGAARO O=C(c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000013745277 431570602 /nfs/dbraw/zinc/57/06/02/431570602.db2.gz RKJFDVGHYZEEDK-UHFFFAOYSA-N 1 0 306.837 3.431 50 0 DGAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)N1CCc2ccccc21 ZINC000014076735 431576725 /nfs/dbraw/zinc/57/67/25/431576725.db2.gz ACEQVASETXRUOI-GOSISDBHSA-N 1 0 306.409 3.413 50 0 DGAARO Cc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014957080 431598007 /nfs/dbraw/zinc/59/80/07/431598007.db2.gz OCUXPRVOKLGQFD-MRXNPFEDSA-N 1 0 315.461 3.307 50 0 DGAARO Cc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)s1 ZINC000014954030 431598874 /nfs/dbraw/zinc/59/88/74/431598874.db2.gz FYXLVGBTFPSEPL-UHFFFAOYSA-N 1 0 324.453 3.373 50 0 DGAARO CC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Br)c1 ZINC000014982231 431599201 /nfs/dbraw/zinc/59/92/01/431599201.db2.gz RBROAKIHDILEQG-JTQLQIEISA-N 1 0 321.646 3.106 50 0 DGAARO CC(=O)NC[C@@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000077271905 431578875 /nfs/dbraw/zinc/57/88/75/431578875.db2.gz ZJAMASVWBRQSQY-INIZCTEOSA-N 1 0 308.853 3.121 50 0 DGAARO C[NH+](C)C1(CNC(=O)CCC(=O)c2cccs2)CCCCC1 ZINC000014185179 431581032 /nfs/dbraw/zinc/58/10/32/431581032.db2.gz XPWITGKDCJMPSJ-UHFFFAOYSA-N 1 0 322.474 3.092 50 0 DGAARO CC[C@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 ZINC000014186013 431582299 /nfs/dbraw/zinc/58/22/99/431582299.db2.gz PXDLIQKUTGHJHM-ZDUSSCGKSA-N 1 0 307.781 3.143 50 0 DGAARO Cc1cnn(CCC[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000077375718 431587045 /nfs/dbraw/zinc/58/70/45/431587045.db2.gz OAGPRWDOPSLWKI-SFHVURJKSA-N 1 0 323.444 3.305 50 0 DGAARO CC(C)c1nc(C[N@H+](C)[C@@H]2CCOC3(CCOCC3)C2)cs1 ZINC000077407794 431591507 /nfs/dbraw/zinc/59/15/07/431591507.db2.gz JLWPKYOPZOGJDK-OAHLLOKOSA-N 1 0 324.490 3.427 50 0 DGAARO COc1ccc(F)cc1C[NH+]1CCC([C@@H](O)CC(C)C)CC1 ZINC000077407133 431591722 /nfs/dbraw/zinc/59/17/22/431591722.db2.gz LCPQSJWPDVEWRO-KRWDZBQOSA-N 1 0 309.425 3.453 50 0 DGAARO Cc1ccc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)o1 ZINC000077394003 431592365 /nfs/dbraw/zinc/59/23/65/431592365.db2.gz YZHSOWMDQUVJFG-UHFFFAOYSA-N 1 0 310.441 3.263 50 0 DGAARO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc(Br)cc1F ZINC000119145015 431652951 /nfs/dbraw/zinc/65/29/51/431652951.db2.gz YBCJOEIPGUGILT-IRWWLHRVSA-N 1 0 322.243 3.006 50 0 DGAARO COc1cc(C[NH2+][C@H](C)c2ccccc2F)cc2c1OCCO2 ZINC000025363118 431653700 /nfs/dbraw/zinc/65/37/00/431653700.db2.gz RDEPEMMZGLLGDU-GFCCVEGCSA-N 1 0 317.360 3.456 50 0 DGAARO COCCC[C@H]1CCC[N@H+](Cc2c(OC)cccc2OC)C1 ZINC000077520543 431605732 /nfs/dbraw/zinc/60/57/32/431605732.db2.gz PFDKNDSGYWAPMK-OAHLLOKOSA-N 1 0 307.434 3.342 50 0 DGAARO CSCC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077520175 431605762 /nfs/dbraw/zinc/60/57/62/431605762.db2.gz CRUPKAYWUYGJMF-MRXNPFEDSA-N 1 0 306.475 3.165 50 0 DGAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000027573656 431688798 /nfs/dbraw/zinc/68/87/98/431688798.db2.gz MNAUZBASDLSNEB-IEBWSBKVSA-N 1 0 324.424 3.071 50 0 DGAARO CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000078650653 431690459 /nfs/dbraw/zinc/69/04/59/431690459.db2.gz PMZXWNSHEIOGGQ-OAHLLOKOSA-N 1 0 300.512 3.243 50 0 DGAARO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000027558543 431690537 /nfs/dbraw/zinc/69/05/37/431690537.db2.gz OLASCPOUHXEQEC-ZDUSSCGKSA-N 1 0 311.360 3.027 50 0 DGAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3ccccc3n2)C2CC2)cc1 ZINC000027594864 431692014 /nfs/dbraw/zinc/69/20/14/431692014.db2.gz PFXIMCJTYTVQEQ-UHFFFAOYSA-N 1 0 319.408 3.168 50 0 DGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccs1 ZINC000027664246 431692810 /nfs/dbraw/zinc/69/28/10/431692810.db2.gz HQFFASQBQDDZMB-LBPRGKRZSA-N 1 0 306.456 3.377 50 0 DGAARO Cc1ccc([C@H](CNC(=O)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000027989152 431698000 /nfs/dbraw/zinc/69/80/00/431698000.db2.gz BAKDSMIMYVQPMC-FQEVSTJZSA-N 1 0 322.452 3.491 50 0 DGAARO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1Cl ZINC000078806484 431710619 /nfs/dbraw/zinc/71/06/19/431710619.db2.gz GRZREEYLUNVUHL-CYBMUJFWSA-N 1 0 302.805 3.421 50 0 DGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC=CCC1 ZINC000029897832 431729371 /nfs/dbraw/zinc/72/93/71/431729371.db2.gz MTRQLZIKACHGSQ-HOTGVXAUSA-N 1 0 302.418 3.279 50 0 DGAARO COc1ccc2[nH]cc(C[NH2+]Cc3ccc4c(c3)OCO4)c2c1 ZINC000030714475 431744004 /nfs/dbraw/zinc/74/40/04/431744004.db2.gz QYYGQZJCBVVOBB-UHFFFAOYSA-N 1 0 310.353 3.195 50 0 biogenic DGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000032763331 431790875 /nfs/dbraw/zinc/79/08/75/431790875.db2.gz XWKSZKCBEBWLMK-OAHLLOKOSA-N 1 0 318.417 3.454 50 0 DGAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccoc3)cc2)CC1 ZINC000032769520 431790888 /nfs/dbraw/zinc/79/08/88/431790888.db2.gz MLXAAIDRKJZHAU-UHFFFAOYSA-N 1 0 312.413 3.442 50 0 DGAARO COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC(C)C)C[N@@H+]1CC2 ZINC000034093119 431817137 /nfs/dbraw/zinc/81/71/37/431817137.db2.gz WEQLWGNDNRARGE-BHYGNILZSA-N 1 0 319.445 3.030 50 0 world DGAARO COc1cc2c(cc1OC)[C@@H](C[C@@H](O)c1ccccc1)[NH2+]CC2 ZINC000032099024 431771988 /nfs/dbraw/zinc/77/19/88/431771988.db2.gz YCFTZQSGANFCHN-IAGOWNOFSA-N 1 0 313.397 3.014 50 0 DGAARO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 ZINC000037301102 431845634 /nfs/dbraw/zinc/84/56/34/431845634.db2.gz DGBGFGWNHQEAGU-LLVKDONJSA-N 1 0 304.777 3.357 50 0 DGAARO COCCOc1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cn1 ZINC000089657350 431873788 /nfs/dbraw/zinc/87/37/88/431873788.db2.gz SFBHCNXJASMJBC-GOSISDBHSA-N 1 0 312.413 3.192 50 0 DGAARO COc1ccc(CC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000034863245 431821870 /nfs/dbraw/zinc/82/18/70/431821870.db2.gz QRTCWUVDEUWKCU-UHFFFAOYSA-N 1 0 310.191 3.383 50 0 DGAARO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000084686150 431832153 /nfs/dbraw/zinc/83/21/53/431832153.db2.gz HXETXHVJFJPMOE-JVJLVOBOSA-N 1 0 323.502 3.091 50 0 DGAARO CCC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1 ZINC000036031278 431833555 /nfs/dbraw/zinc/83/35/55/431833555.db2.gz CFIRUXQIJJTJCK-QGZVFWFLSA-N 1 0 317.404 3.478 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036098373 431835771 /nfs/dbraw/zinc/83/57/71/431835771.db2.gz ZBJVLOLSHLUPEM-WMZOPIPTSA-N 1 0 323.477 3.329 50 0 DGAARO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COC3(CCCC3)O1)CCCO2 ZINC000095459721 431926082 /nfs/dbraw/zinc/92/60/82/431926082.db2.gz OUSOHJLNENTHGC-RDJZCZTQSA-N 1 0 317.429 3.484 50 0 DGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cn2ccccc2n1 ZINC000047452205 431910155 /nfs/dbraw/zinc/91/01/55/431910155.db2.gz OUEJQOSREJEUOJ-UHFFFAOYSA-N 1 0 320.396 3.182 50 0 DGAARO CC(C)(CNC(=O)c1cccc2cccnc21)[NH+]1CCCCC1 ZINC000047531503 431911567 /nfs/dbraw/zinc/91/15/67/431911567.db2.gz ICZIXFQLCJOJFD-UHFFFAOYSA-N 1 0 311.429 3.229 50 0 DGAARO COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)cc1F ZINC000047698351 431914399 /nfs/dbraw/zinc/91/43/99/431914399.db2.gz NBIFVPZOXOEJEQ-LLVKDONJSA-N 1 0 303.333 3.414 50 0 DGAARO COc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000047827933 431916643 /nfs/dbraw/zinc/91/66/43/431916643.db2.gz NZIPTBFNGOBCHR-CYBMUJFWSA-N 1 0 310.397 3.431 50 0 DGAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000048045871 431918450 /nfs/dbraw/zinc/91/84/50/431918450.db2.gz PBMNSNUBQSBXFP-OAHLLOKOSA-N 1 0 318.436 3.296 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCc2ccccc2F)C1 ZINC000048267580 431922521 /nfs/dbraw/zinc/92/25/21/431922521.db2.gz FULSEZSWWCAXLE-IYBDPMFKSA-N 1 0 320.452 3.243 50 0 DGAARO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000048290551 431922545 /nfs/dbraw/zinc/92/25/45/431922545.db2.gz SOMLGRCFDFKAJK-ZDUSSCGKSA-N 1 0 311.223 3.262 50 0 DGAARO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000048290550 431922566 /nfs/dbraw/zinc/92/25/66/431922566.db2.gz SOMLGRCFDFKAJK-CYBMUJFWSA-N 1 0 311.223 3.262 50 0 DGAARO Cc1csc(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000095354690 431922917 /nfs/dbraw/zinc/92/29/17/431922917.db2.gz KLJXOVSHMSPOPL-UHFFFAOYSA-N 1 0 321.490 3.112 50 0 DGAARO c1coc([C@H](CNc2ncnc3ccccc32)[NH+]2CCCC2)c1 ZINC000048332319 431923601 /nfs/dbraw/zinc/92/36/01/431923601.db2.gz RMLPUDJOKHWMBS-INIZCTEOSA-N 1 0 308.385 3.472 50 0 DGAARO Cc1cc(C)c2c(ncnc2NC[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC000095374734 431923782 /nfs/dbraw/zinc/92/37/82/431923782.db2.gz CKMPSLJXPKTOJW-HNNXBMFYSA-N 1 0 313.449 3.174 50 0 DGAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)c(F)c2)o1 ZINC000048332692 431924182 /nfs/dbraw/zinc/92/41/82/431924182.db2.gz LGDYWBZNFWCGCG-GFCCVEGCSA-N 1 0 300.337 3.159 50 0 DGAARO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C1CCCC1)CC2 ZINC000095368827 431924198 /nfs/dbraw/zinc/92/41/98/431924198.db2.gz OLEICBJXMFRULM-SFHVURJKSA-N 1 0 312.457 3.410 50 0 DGAARO Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)o1 ZINC000044949449 431879350 /nfs/dbraw/zinc/87/93/50/431879350.db2.gz OMJQDAMLKOCLMK-STQMWFEESA-N 1 0 321.446 3.313 50 0 DGAARO Cc1csc2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)cc(=O)n12 ZINC000045314701 431884183 /nfs/dbraw/zinc/88/41/83/431884183.db2.gz KTDWIPQUQCBFTJ-UONOGXRCSA-N 1 0 317.458 3.077 50 0 DGAARO COc1ccc(C[C@](C)([NH3+])CNc2cnc3ccccc3n2)cc1 ZINC000089904147 431884509 /nfs/dbraw/zinc/88/45/09/431884509.db2.gz JICULLCUNPMVJG-IBGZPJMESA-N 1 0 322.412 3.010 50 0 DGAARO 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304.409 3.164 50 0 DGAARO C[C@@H](c1ccc(C(=O)N2CCSCC2)o1)[NH+]1CCCCC1 ZINC000097570897 431970935 /nfs/dbraw/zinc/97/09/35/431970935.db2.gz ZVEPOLVZLVGVLR-ZDUSSCGKSA-N 1 0 308.447 3.016 50 0 DGAARO CCOc1cc(C)c(CN2CCO[C@@H](CC[NH3+])C2)cc1C(C)C ZINC000097631935 431972026 /nfs/dbraw/zinc/97/20/26/431972026.db2.gz FZJWKAWMANXESU-KRWDZBQOSA-N 1 0 320.477 3.067 50 0 DGAARO Cc1nc(C2CC[NH+](Cc3cc4ccccc4n3C)CC2)no1 ZINC000097636669 431972404 /nfs/dbraw/zinc/97/24/04/431972404.db2.gz MJRAIEGOEFWGFO-UHFFFAOYSA-N 1 0 310.401 3.249 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CC(=O)NCc1cccc(Cl)c1Cl ZINC000097696280 431972958 /nfs/dbraw/zinc/97/29/58/431972958.db2.gz MUFMFMNLTPFJMU-GFCCVEGCSA-N 1 0 315.244 3.484 50 0 DGAARO CC(=O)N1[C@H]([NH2+]Cc2ccccc2)C[C@@H](C)N1c1ccccc1 ZINC000054959640 431974653 /nfs/dbraw/zinc/97/46/53/431974653.db2.gz ZPGPYJUPNLTGAX-BEFAXECRSA-N 1 0 309.413 3.165 50 0 DGAARO CNC(=O)[C@H]1CCCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000097785620 431974959 /nfs/dbraw/zinc/97/49/59/431974959.db2.gz RBMZILLJPPXTGG-HXUWFJFHSA-N 1 0 322.452 3.419 50 0 DGAARO CN(Cc1ccc(F)cc1)C(=O)CC[NH+]1CCCCCCC1 ZINC000055109137 431977397 /nfs/dbraw/zinc/97/73/97/431977397.db2.gz SPHCSCGIEOGPDL-UHFFFAOYSA-N 1 0 306.425 3.440 50 0 DGAARO CCS[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)s1 ZINC000055168667 431977494 /nfs/dbraw/zinc/97/74/94/431977494.db2.gz DATJPFDLRKYOKS-ZDUSSCGKSA-N 1 0 314.520 3.088 50 0 DGAARO CC[C@H]([NH2+]Cc1c(C)cc(C)c(CO)c1C)c1ccnn1C ZINC000055242723 431978231 /nfs/dbraw/zinc/97/82/31/431978231.db2.gz XNDRDZZCTRNBBC-KRWDZBQOSA-N 1 0 301.434 3.079 50 0 DGAARO COCC[N@H+](CCCn1nc(C)cc1C)Cc1ccccc1F ZINC000055254881 431979675 /nfs/dbraw/zinc/97/96/75/431979675.db2.gz HENIXLKAUDPIMY-UHFFFAOYSA-N 1 0 319.424 3.178 50 0 DGAARO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000095961376 431928204 /nfs/dbraw/zinc/92/82/04/431928204.db2.gz AAAGNWPNWQOEHH-XLAORIBOSA-N 1 0 312.457 3.459 50 0 DGAARO O=C1CC[C@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CN1 ZINC000095968070 431929071 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CCCCn1nc(CCc2ccccc2)nc1[C@H]1CC[C@@H]([NH3+])C1 ZINC000096141268 431939926 /nfs/dbraw/zinc/93/99/26/431939926.db2.gz CBNYABNZRNIFDL-DLBZAZTESA-N 1 0 312.461 3.458 50 0 DGAARO CC[N@H+](C)C1(CNc2nc3c(s2)c(C)nn3C)CCCC1 ZINC000096136135 431940080 /nfs/dbraw/zinc/94/00/80/431940080.db2.gz RRLHMGCQRDSTGC-UHFFFAOYSA-N 1 0 307.467 3.015 50 0 DGAARO c1coc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000096152216 431940708 /nfs/dbraw/zinc/94/07/08/431940708.db2.gz DRTIEEVAOGQAPW-AWEZNQCLSA-N 1 0 310.357 3.104 50 0 DGAARO O=C(CCCc1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000049783702 431943599 /nfs/dbraw/zinc/94/35/99/431943599.db2.gz ASBRDHZSNAUNHP-SFHVURJKSA-N 1 0 300.446 3.096 50 0 DGAARO O[C@H](C[NH+]1CCN(C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096288887 431944191 /nfs/dbraw/zinc/94/41/91/431944191.db2.gz FCUXFWLHZIBUKI-PWYGHMFVSA-N 1 0 322.452 3.051 50 0 DGAARO Cc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000049922600 431944350 /nfs/dbraw/zinc/94/43/50/431944350.db2.gz 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CC1(C)[C@H]([NH2+]CCc2coc(-c3ccccc3)n2)[C@H]2CCO[C@@H]21 ZINC000097034499 431956224 /nfs/dbraw/zinc/95/62/24/431956224.db2.gz DNXUUMNKEXEKBD-ZACQAIPSSA-N 1 0 312.413 3.287 50 0 DGAARO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCC(=O)N(C)C3)oc21 ZINC000097034558 431957082 /nfs/dbraw/zinc/95/70/82/431957082.db2.gz IKAFQMADPHBLLB-JSGCOSHPSA-N 1 0 316.401 3.103 50 0 DGAARO CCc1cnccc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000097034988 431957373 /nfs/dbraw/zinc/95/73/73/431957373.db2.gz PRARJXUNDBDESZ-GOSISDBHSA-N 1 0 323.440 3.038 50 0 DGAARO COc1cc2ccncc2cc1OC(=O)c1ccn2c[nH+]cc2c1 ZINC000097047410 431957933 /nfs/dbraw/zinc/95/79/33/431957933.db2.gz SRFUDPRTEQFOFB-UHFFFAOYSA-N 1 0 319.320 3.110 50 0 DGAARO C[N@H+](Cc1ccc(Oc2cnccn2)cc1)Cc1cccnc1 ZINC000097058617 431958666 /nfs/dbraw/zinc/95/86/66/431958666.db2.gz OQLLBMYJMIQAKY-UHFFFAOYSA-N 1 0 306.369 3.296 50 0 DGAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CC(c2cccnc2)C1 ZINC000097087983 431959899 /nfs/dbraw/zinc/95/98/99/431959899.db2.gz UCOPWAKCQYLVTM-AWEZNQCLSA-N 1 0 310.397 3.088 50 0 DGAARO COc1ccccc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000097121353 431962528 /nfs/dbraw/zinc/96/25/28/431962528.db2.gz LHACMXDPZYNFBI-GOSISDBHSA-N 1 0 324.424 3.262 50 0 DGAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000097159516 431963459 /nfs/dbraw/zinc/96/34/59/431963459.db2.gz XXTMXRRBTVIHGW-SFHVURJKSA-N 1 0 321.428 3.130 50 0 DGAARO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC000100058210 431980611 /nfs/dbraw/zinc/98/06/11/431980611.db2.gz YESBJFJJWMHILD-HOTGVXAUSA-N 1 0 302.418 3.128 50 0 DGAARO S=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000053519606 431964382 /nfs/dbraw/zinc/96/43/82/431964382.db2.gz ZFWGTHPTTWUWRH-IAGOWNOFSA-N 1 0 315.486 3.089 50 0 DGAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1cc3ccccc3o1)CC2 ZINC000097199497 431964570 /nfs/dbraw/zinc/96/45/70/431964570.db2.gz OIKJFSUNNREUGB-AWEZNQCLSA-N 1 0 310.401 3.252 50 0 DGAARO Cn1c2ccccc2nc(C[N@H+](Cc2ccccc2)C2CC2)c1=O ZINC000097201336 431964593 /nfs/dbraw/zinc/96/45/93/431964593.db2.gz BLXYKBSMQVQLEX-UHFFFAOYSA-N 1 0 319.408 3.098 50 0 DGAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cc(-c3ccccc3)cs1)CC2 ZINC000097199406 431964664 /nfs/dbraw/zinc/96/46/64/431964664.db2.gz NNEXEUDPUWJMOM-MRXNPFEDSA-N 1 0 324.453 3.420 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000053720553 431965140 /nfs/dbraw/zinc/96/51/40/431965140.db2.gz DKOIKYXKQADBBX-CQSZACIVSA-N 1 0 312.417 3.047 50 0 DGAARO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(C)C)cc2)C1 ZINC000097258121 431965990 /nfs/dbraw/zinc/96/59/90/431965990.db2.gz AGWIICQTXYFTCD-HNNXBMFYSA-N 1 0 319.449 3.327 50 0 DGAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000097233920 431966042 /nfs/dbraw/zinc/96/60/42/431966042.db2.gz WXHQVTDONXKUOQ-KGLIPLIRSA-N 1 0 323.412 3.271 50 0 DGAARO CSC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000097234061 431966264 /nfs/dbraw/zinc/96/62/64/431966264.db2.gz PMYWTZXRZFIFIO-FUDCBSFHSA-N 1 0 314.495 3.258 50 0 DGAARO C[N@H+](CCN1CCCCC1=O)Cc1ccc(-c2ccco2)cc1 ZINC000097307312 431967266 /nfs/dbraw/zinc/96/72/66/431967266.db2.gz STNVTYMABQNZDE-UHFFFAOYSA-N 1 0 312.413 3.391 50 0 DGAARO Fc1ccc(C2CC([NH2+]Cc3cccnc3-n3ccnc3)C2)cc1 ZINC000097371336 431968039 /nfs/dbraw/zinc/96/80/39/431968039.db2.gz GZAZIYHIVZNUOU-UHFFFAOYSA-N 1 0 322.387 3.442 50 0 DGAARO Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000097378710 431969098 /nfs/dbraw/zinc/96/90/98/431969098.db2.gz PCZNDASQTMWWSN-UHFFFAOYSA-N 1 0 324.428 3.130 50 0 DGAARO CC(C)C[N@H+](Cc1cnc(NC(C)C)nc1)Cc1ccccn1 ZINC000055576434 431984223 /nfs/dbraw/zinc/98/42/23/431984223.db2.gz WWQNCXCWLCETGP-UHFFFAOYSA-N 1 0 313.449 3.350 50 0 DGAARO Cc1cccc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C)C4)c(C)nc12 ZINC000216394442 281313600 /nfs/dbraw/zinc/31/36/00/281313600.db2.gz MFXPHYDBORUGPR-DOTOQJQBSA-N 1 0 323.440 3.018 50 0 DGAARO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nccn2C)cc1 ZINC000102281888 431992515 /nfs/dbraw/zinc/99/25/15/431992515.db2.gz 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CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncnc2c(C)csc21 ZINC000241795488 432816659 /nfs/dbraw/zinc/81/66/59/432816659.db2.gz RZPFZHWVVGVOJT-STQMWFEESA-N 1 0 302.447 3.063 50 0 DGAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H]1c1cccs1 ZINC000242106146 432817218 /nfs/dbraw/zinc/81/72/18/432817218.db2.gz WHHMVBNUQMTYDQ-ILXRZTDVSA-N 1 0 319.474 3.221 50 0 DGAARO CCC1CCC(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000242263295 432818063 /nfs/dbraw/zinc/81/80/63/432818063.db2.gz XXSSINQXBTUDRY-RDHHWEPZSA-N 1 0 307.482 3.081 50 0 DGAARO O[C@@H](c1ccccc1)C1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000242197048 432818137 /nfs/dbraw/zinc/81/81/37/432818137.db2.gz XHKLLADIAFQRBV-FQEVSTJZSA-N 1 0 321.424 3.280 50 0 DGAARO CCn1cc(C[N@@H+]2CCC[C@@H](c3nccn3C(C)C)C2)cn1 ZINC000243915059 432820136 /nfs/dbraw/zinc/82/01/36/432820136.db2.gz BMILQEKLQWCMHX-MRXNPFEDSA-N 1 0 301.438 3.060 50 0 DGAARO CCOc1cccc(CN(CC)CC[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000244796107 432823199 /nfs/dbraw/zinc/82/31/99/432823199.db2.gz 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433404303 /nfs/dbraw/zinc/40/43/03/433404303.db2.gz YMLYLWDQMANIJR-MRXNPFEDSA-N 1 0 313.800 3.360 50 0 DGAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1nc2c(s1)CCC2 ZINC000134795269 290032830 /nfs/dbraw/zinc/03/28/30/290032830.db2.gz FBZBSNVKERGDCU-AZHAFVHUSA-N 1 0 304.459 3.240 50 0 DGAARO C[N@@H+]1CCN(c2ncnc3sccc32)[C@H](c2ccccc2)C1 ZINC000006550912 290059825 /nfs/dbraw/zinc/05/98/25/290059825.db2.gz MQXOYPBPKFOLHK-HNNXBMFYSA-N 1 0 310.426 3.184 50 0 DGAARO C[C@H](c1ccc(-c2nc(N(C)C)ns2)cc1)[NH+]1CCCC1 ZINC000426519224 433524328 /nfs/dbraw/zinc/52/43/28/433524328.db2.gz ISOVDZJKNOMRMK-GFCCVEGCSA-N 1 0 302.447 3.428 50 0 DGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)CC2=CCCC2)C1 ZINC000426705541 433568064 /nfs/dbraw/zinc/56/80/64/433568064.db2.gz BYSYHGARKRBAEZ-GOSISDBHSA-N 1 0 312.457 3.401 50 0 DGAARO Cc1cccc2nc(C3CC[NH+](CCc4ccnn4C)CC3)oc21 ZINC000367256896 293045024 /nfs/dbraw/zinc/04/50/24/293045024.db2.gz BUNPILCIXIIPGL-UHFFFAOYSA-N 1 0 324.428 3.292 50 0 DGAARO Cc1csc2c1ncnc2N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000192579644 293068102 /nfs/dbraw/zinc/06/81/02/293068102.db2.gz YYMBJZJYPDGKHI-AWEZNQCLSA-N 1 0 316.474 3.454 50 0 DGAARO Cc1ccc(CN2CCCN(C(=O)CC3CCCC3)CC2)o1 ZINC000372398219 293242609 /nfs/dbraw/zinc/24/26/09/293242609.db2.gz MICSUWQZFSCOIL-UHFFFAOYSA-N 1 0 304.434 3.203 50 0 DGAARO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccncc1Cl ZINC000421846899 433772051 /nfs/dbraw/zinc/77/20/51/433772051.db2.gz VCYALABSBQJLDH-NSHDSACASA-N 1 0 323.849 3.267 50 0 DGAARO Brc1cncc([C@@H]([NH2+]Cc2ccccn2)C2CC2)c1 ZINC000283824996 433784193 /nfs/dbraw/zinc/78/41/93/433784193.db2.gz DIHKUBDJVLTKAM-HNNXBMFYSA-N 1 0 318.218 3.480 50 0 DGAARO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cscc2C)cc1 ZINC000284297464 433876836 /nfs/dbraw/zinc/87/68/36/433876836.db2.gz KOLAIUULPCNDRL-MRXNPFEDSA-N 1 0 318.442 3.098 50 0 DGAARO Cc1ccccc1C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C1CC1 ZINC000284329852 433885731 /nfs/dbraw/zinc/88/57/31/433885731.db2.gz MFSPRAVYFMWVMQ-IBGZPJMESA-N 1 0 308.425 3.205 50 0 DGAARO CO[C@H](C)C[N@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000377694077 433956865 /nfs/dbraw/zinc/95/68/65/433956865.db2.gz KVWHDAHWOLALSK-CYBMUJFWSA-N 1 0 313.401 3.300 50 0 DGAARO COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC000408512883 434581184 /nfs/dbraw/zinc/58/11/84/434581184.db2.gz DKKDYDMGIAZWGZ-HYVNUMGLSA-N 1 0 318.461 3.178 50 0 DGAARO COc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000021170659 295349761 /nfs/dbraw/zinc/34/97/61/295349761.db2.gz JUXILUAZVNEEPW-MRXNPFEDSA-N 1 0 316.445 3.176 50 0 DGAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2o1 ZINC000575619333 435037742 /nfs/dbraw/zinc/03/77/42/435037742.db2.gz DDZIPVOOEDZHEB-WAVCKPEOSA-N 1 0 324.380 3.458 50 0 DGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1cc(Cl)ccc1Cl ZINC000493404734 435164570 /nfs/dbraw/zinc/16/45/70/435164570.db2.gz SQBDJMBYRMLMBU-XBSXRRGWSA-N 1 0 313.228 3.345 50 0 DGAARO COc1ccc([C@@H](CO)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)cc1 ZINC000658036812 436358546 /nfs/dbraw/zinc/35/85/46/436358546.db2.gz YYQACXXHUYKNNP-NRSFXHEJSA-N 1 0 303.446 3.185 50 0 DGAARO Cc1ccc([C@H]2NC(=S)N=C3C2CCC[C@H]3C[NH+](C)C)cc1 ZINC000101375245 301840481 /nfs/dbraw/zinc/84/04/81/301840481.db2.gz NRERSBYAYDKVRY-GOEBONIOSA-N 1 0 315.486 3.130 50 0 DGAARO O=C(C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1)N1CCCC1 ZINC000172286120 312744350 /nfs/dbraw/zinc/74/43/50/312744350.db2.gz VSFXQQAZICQZIS-UHFFFAOYSA-N 1 0 312.457 3.010 50 0 DGAARO c1[nH]nc2c1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)CC2 ZINC000097233938 323210448 /nfs/dbraw/zinc/21/04/48/323210448.db2.gz YSTJZFSTTLXXGI-QFBILLFUSA-N 1 0 304.397 3.041 50 0 DGAARO COC1(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)CCCCC1 ZINC000187455228 323415540 /nfs/dbraw/zinc/41/55/40/323415540.db2.gz AFMNLLFIGZNHJL-UHFFFAOYSA-N 1 0 303.406 3.417 50 0 DGAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)CC1 ZINC000013326245 331541221 /nfs/dbraw/zinc/54/12/21/331541221.db2.gz VHNBUUWVLNTPQK-ZDUSSCGKSA-N 1 0 324.852 3.016 50 0 DGAARO C[NH+](C)[C@H]1CCCCN(Cc2cnc(-c3cccs3)nc2)C1 ZINC000082091683 331989871 /nfs/dbraw/zinc/98/98/71/331989871.db2.gz RITOJCRXRQQVQI-HNNXBMFYSA-N 1 0 316.474 3.121 50 0 DGAARO COc1cccc(C2=CCN(Cc3nnc(C4CC4)o3)CC2)c1 ZINC000089469698 332070478 /nfs/dbraw/zinc/07/04/78/332070478.db2.gz LLLUCFDDHBEDLK-UHFFFAOYSA-N 1 0 311.385 3.245 50 0 DGAARO CCOc1ncccc1CNC1CC[NH+](CC=C(C)C)CC1 ZINC000095420096 332170041 /nfs/dbraw/zinc/17/00/41/332170041.db2.gz NIWMLVPGQVPVKD-UHFFFAOYSA-N 1 0 303.450 3.001 50 0 DGAARO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2cccc(SC)c2)C1 ZINC000534586782 334292308 /nfs/dbraw/zinc/29/23/08/334292308.db2.gz LARIFUAQBXQJNR-HNNXBMFYSA-N 1 0 321.490 3.034 50 0 DGAARO CCOC(=O)N1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC000534641478 334311514 /nfs/dbraw/zinc/31/15/14/334311514.db2.gz RNDOPNHYMIOWGX-AWEZNQCLSA-N 1 0 308.809 3.150 50 0 DGAARO Cn1c(-c2ccccc2)c(-c2ccccc2)[n+]2c1SC[C@H](O)C2 ZINC000017248213 337352537 /nfs/dbraw/zinc/35/25/37/337352537.db2.gz QCQJXAGGVWWPGG-MRXNPFEDSA-N 1 0 323.441 3.113 50 0 DGAARO CC[NH+](CC)C[C@@H]1CCCN1C(=O)NCc1ccccc1C ZINC000426478119 528172752 /nfs/dbraw/zinc/17/27/52/528172752.db2.gz ONTDHHSXMOMMFH-KRWDZBQOSA-N 1 0 303.450 3.011 50 0 DGAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(C)s2)cn1 ZINC000083843512 545780121 /nfs/dbraw/zinc/78/01/21/545780121.db2.gz CTJVURCZVWOREV-BBRMVZONSA-N 1 0 305.447 3.140 50 0 DGAARO O=C1C[C@H]([NH2+]Cc2cccc3cccnc32)CN1c1ccccc1 ZINC000084549416 545790509 /nfs/dbraw/zinc/79/05/09/545790509.db2.gz IUTTWUULMURZGT-KRWDZBQOSA-N 1 0 317.392 3.130 50 0 DGAARO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(OC2CCOCC2)cc1 ZINC000090940283 545831085 /nfs/dbraw/zinc/83/10/85/545831085.db2.gz GSMNSNJKZJZXIU-PMUMKWKESA-N 1 0 305.418 3.072 50 0 DGAARO C[C@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)c1cccs1 ZINC000090955319 545832864 /nfs/dbraw/zinc/83/28/64/545832864.db2.gz SFZKGXDZSSASOM-JSGCOSHPSA-N 1 0 304.415 3.162 50 0 DGAARO C[C@@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)c1cccc(F)c1 ZINC000090955534 545832913 /nfs/dbraw/zinc/83/29/13/545832913.db2.gz XLIBFTNSJFXGGO-DYVFJYSZSA-N 1 0 316.376 3.239 50 0 DGAARO Cc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)on1 ZINC000215059684 546260449 /nfs/dbraw/zinc/26/04/49/546260449.db2.gz LEXZBJMOIMAEBV-AWEZNQCLSA-N 1 0 310.401 3.249 50 0 DGAARO CN1c2ccccc2[C@]2(CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000215036895 546260767 /nfs/dbraw/zinc/26/07/67/546260767.db2.gz RYPLEUNUNJEWNN-GOSISDBHSA-N 1 0 312.438 3.258 50 0 DGAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCN(Cc3ccccn3)CC1)=CC2 ZINC000215524191 546261295 /nfs/dbraw/zinc/26/12/95/546261295.db2.gz NBLHCCLSHYGRCQ-HKUYNNGSSA-N 1 0 311.473 3.192 50 0 DGAARO Cc1cc(C[N@@H+](C)Cc2cc(F)ccc2-n2cccn2)ccn1 ZINC000215158158 546261936 /nfs/dbraw/zinc/26/19/36/546261936.db2.gz MTNHPOZYLAJSJA-UHFFFAOYSA-N 1 0 310.376 3.347 50 0 DGAARO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CCC2CCCCCC2)CC1 ZINC000263486439 546341780 /nfs/dbraw/zinc/34/17/80/546341780.db2.gz HLLQZVCHBFJKTH-QGZVFWFLSA-N 1 0 310.482 3.218 50 0 DGAARO C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)CC1(CO)CCC1 ZINC000670437722 547753416 /nfs/dbraw/zinc/75/34/16/547753416.db2.gz NCIOIHQUDCYEGQ-UHFFFAOYSA-N 1 0 305.315 3.439 50 0 DGAARO Cc1cc(C)n(-c2cccc(C[N@@H+](C)Cc3cnc(C)cn3)c2)n1 ZINC000670439651 547755015 /nfs/dbraw/zinc/75/50/15/547755015.db2.gz LGHGETXIHMSGOE-UHFFFAOYSA-N 1 0 321.428 3.220 50 0 DGAARO C[N@@H+]1CCCC2(CCN(c3cnc4ccccc4n3)CC2)CC1 ZINC000670456491 547756975 /nfs/dbraw/zinc/75/69/75/547756975.db2.gz HEXSXMGAEHUCED-UHFFFAOYSA-N 1 0 310.445 3.332 50 0 DGAARO COc1c(C)cnc(C[N@H+](C)CCCc2c(C)n[nH]c2C)c1C ZINC000670458026 547757051 /nfs/dbraw/zinc/75/70/51/547757051.db2.gz VDOINZHWEYEYDJ-UHFFFAOYSA-N 1 0 316.449 3.112 50 0 DGAARO COCCC1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000670460088 547757820 /nfs/dbraw/zinc/75/78/20/547757820.db2.gz STDHSSZVKBYGEH-SFHVURJKSA-N 1 0 306.425 3.153 50 0 DGAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000685939550 549810586 /nfs/dbraw/zinc/81/05/86/549810586.db2.gz LYCMKBPCJILMSQ-KXBFYZLASA-N 1 0 320.440 3.488 50 0 DGAARO COc1ccc([C@H](C)C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000170065378 563903204 /nfs/dbraw/zinc/90/32/04/563903204.db2.gz HPAUERHDSBJQFT-CYBMUJFWSA-N 1 0 312.404 3.118 50 0 DGAARO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCCCCC1 ZINC000170048076 563902872 /nfs/dbraw/zinc/90/28/72/563902872.db2.gz NRMSQHXEPNMGFK-CVEARBPZSA-N 1 0 304.409 3.097 50 0 DGAARO CN(C(=O)CC[NH3+])[C@@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000170046649 563903062 /nfs/dbraw/zinc/90/30/62/563903062.db2.gz OYKXIHNGPNFGCV-KRWDZBQOSA-N 1 0 320.795 3.376 50 0 DGAARO Cc1ncsc1C[NH2+][C@H](C)C(C)(C)NC(=O)OC(C)(C)C ZINC000888098577 618625535 /nfs/dbraw/zinc/62/55/35/618625535.db2.gz LPPNXQFVEVWVOL-LLVKDONJSA-N 1 0 313.467 3.233 50 0 DGAARO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[C@H](c2nccn2C)C1 ZINC000888099158 618625742 /nfs/dbraw/zinc/62/57/42/618625742.db2.gz WQWVYTNTAGWGKG-JKSUJKDBSA-N 1 0 323.444 3.004 50 0 DGAARO Cc1cccc2c1[C@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CC2 ZINC000863983102 621724215 /nfs/dbraw/zinc/72/42/15/621724215.db2.gz AOMXORIWDXWMHP-LJQANCHMSA-N 1 0 318.424 3.412 50 0 DGAARO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000863983653 621724781 /nfs/dbraw/zinc/72/47/81/621724781.db2.gz LBPAVEAIDKGEER-HLLBOEOZSA-N 1 0 309.450 3.023 50 0 DGAARO COc1ccnc([C@H](C)[NH2+]CCn2c(C)nc3ccccc32)c1 ZINC000863984338 621724901 /nfs/dbraw/zinc/72/49/01/621724901.db2.gz TXCOTUAFFJQGFP-ZDUSSCGKSA-N 1 0 310.401 3.099 50 0 DGAARO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc(Cl)cc1 ZINC000020550928 623317635 /nfs/dbraw/zinc/31/76/35/623317635.db2.gz PZLLZYNCUVLMPB-GFCCVEGCSA-N 1 0 300.793 3.276 50 0 DGAARO c1cn2cc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)nc2s1 ZINC000885944794 627065760 /nfs/dbraw/zinc/06/57/60/627065760.db2.gz UXKLBODIZAVKKW-ZDUSSCGKSA-N 1 0 305.447 3.367 50 0 DGAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185112731 660202082 /nfs/dbraw/zinc/20/20/82/660202082.db2.gz BPXUFHRGHUMMNW-KRWDZBQOSA-N 1 0 321.852 3.358 50 0 DGAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(F)c2)N1C1CCCC1 ZINC000012158425 660501511 /nfs/dbraw/zinc/50/15/11/660501511.db2.gz PMGVKTVOPAQRAO-QGZVFWFLSA-N 1 0 304.409 3.239 50 0 DGAARO Cn1cc(C[N@H+](C)C2CCOCC2)c(-c2cccc(Cl)c2)n1 ZINC000012589574 660512877 /nfs/dbraw/zinc/51/28/77/660512877.db2.gz FNVWMJUDHJWJJQ-UHFFFAOYSA-N 1 0 319.836 3.351 50 0 DGAARO COCC[N@@H+]1CCC[C@]2(CCN(C/C=C/c3ccccc3)C2)C1 ZINC000012303240 660527132 /nfs/dbraw/zinc/52/71/32/660527132.db2.gz DRAJOWDAYJXDJI-MVHVFESUSA-N 1 0 314.473 3.134 50 0 DGAARO Cc1cccc(C[N@H+]2CCC(=O)N(CC3CCCCC3)CC2)n1 ZINC000023130040 655800359 /nfs/dbraw/zinc/80/03/59/655800359.db2.gz TWOKLUJSWGDLRX-UHFFFAOYSA-N 1 0 315.461 3.005 50 0 DGAARO O[C@H](CC1CCCC1)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000191312448 656168038 /nfs/dbraw/zinc/16/80/38/656168038.db2.gz PJRTWNOZBAVQPI-LJQANCHMSA-N 1 0 302.462 3.140 50 0 DGAARO O=C(/C=C\c1ccco1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000097987673 657700903 /nfs/dbraw/zinc/70/09/03/657700903.db2.gz VOJQHFZOBPGTAR-HLRDLLSLSA-N 1 0 314.385 3.229 50 0 DGAARO COC1CC[NH+](Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000067840529 657814132 /nfs/dbraw/zinc/81/41/32/657814132.db2.gz XRLBUPDCGFZIMM-UHFFFAOYSA-N 1 0 322.412 3.007 50 0 DGAARO c1nc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c[nH]1 ZINC000015067179 658009394 /nfs/dbraw/zinc/00/93/94/658009394.db2.gz JLSGWVGGOWMNJM-IBGZPJMESA-N 1 0 316.493 3.278 50 0 DGAARO O=C(CC(F)(F)F)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000015078925 658011549 /nfs/dbraw/zinc/01/15/49/658011549.db2.gz JCSODCWIQAEWNK-ZDUSSCGKSA-N 1 0 306.372 3.100 50 0 DGAARO CC(C)C1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000174494651 659436402 /nfs/dbraw/zinc/43/64/02/659436402.db2.gz NHTSVYUVMLJABK-SFHVURJKSA-N 1 0 302.462 3.054 50 0 DGAARO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@@H]2CCCOC2)s1 ZINC000183583335 660124832 /nfs/dbraw/zinc/12/48/32/660124832.db2.gz XSMBDLGGDLRMJH-JTQLQIEISA-N 1 0 308.369 3.329 50 0 DGAARO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000188882488 661950944 /nfs/dbraw/zinc/95/09/44/661950944.db2.gz ZUQSYLLNCAIODG-MRXNPFEDSA-N 1 0 311.381 3.380 50 0 DGAARO COc1ccccc1/C=C/C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000078253956 662056807 /nfs/dbraw/zinc/05/68/07/662056807.db2.gz OUTHWWNIOKLDRR-SIFUEBAJSA-N 1 0 303.402 3.126 50 0 DGAARO COc1cccc(Cl)c1CNCc1c[nH+]ccc1N(C)C ZINC000191633574 662075185 /nfs/dbraw/zinc/07/51/85/662075185.db2.gz FPMWRWHTUDKCDY-UHFFFAOYSA-N 1 0 305.809 3.099 50 0 DGAARO COc1ccc(CN(C)CC[N@@H+]2CCCC[C@H]2C)c(OC)c1C ZINC000952972799 662209382 /nfs/dbraw/zinc/20/93/82/662209382.db2.gz WTUKLMGJEKSFPT-OAHLLOKOSA-N 1 0 320.477 3.318 50 0 DGAARO CCn1ncnc1C[NH2+]CC[C@H](c1ccco1)c1ccccc1 ZINC000952974540 662209429 /nfs/dbraw/zinc/20/94/29/662209429.db2.gz IXSTWAAXVTYYSJ-INIZCTEOSA-N 1 0 310.401 3.203 50 0 DGAARO Cc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000011841658 685046765 /nfs/dbraw/zinc/04/67/65/685046765.db2.gz DMVZEYUWGBKASK-SFHVURJKSA-N 1 0 312.388 3.025 50 0 DGAARO CCCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2[C@H](O)C[C@@H]2C1 ZINC001772705007 1176674152 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/nfs/dbraw/zinc/02/97/65/432029765.db2.gz UXKGSENQLRTHPU-SFHVURJKSA-N 1 0 309.409 3.490 50 0 DGAARO O=C(CN1Cc2ccccc2C[C@H]1c1ccccc1)NC1CC1 ZINC000174039292 198284528 /nfs/dbraw/zinc/28/45/28/198284528.db2.gz WAVWAYXYJPHZKY-IBGZPJMESA-N 1 0 306.409 3.065 50 0 DGAARO C[C@@H](Cc1ccccc1)NC(=O)CC[NH2+][C@@H](C)Cc1ccccc1 ZINC000002116123 180911083 /nfs/dbraw/zinc/91/10/83/180911083.db2.gz QYOZODNWEZVAND-ROUUACIJSA-N 1 0 324.468 3.345 50 0 biogenic DGAARO O=C(OCc1ccccc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000002580982 180936990 /nfs/dbraw/zinc/93/69/90/180936990.db2.gz SSEKKSJFODDION-KRWDZBQOSA-N 1 0 302.418 3.274 50 0 DGAARO CC[NH+](CC)CCCNC(=O)c1cc(Cl)ccc1Cl ZINC000002747173 180951485 /nfs/dbraw/zinc/95/14/85/180951485.db2.gz HJHNQAZYTCKQDT-UHFFFAOYSA-N 1 0 303.233 3.455 50 0 DGAARO CCc1c(C)scc1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000067642611 432033878 /nfs/dbraw/zinc/03/38/78/432033878.db2.gz DMIIBVANGJEOCC-UHFFFAOYSA-N 1 0 308.491 3.469 50 0 DGAARO Cc1nc(Cl)cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000107539161 432033993 /nfs/dbraw/zinc/03/39/93/432033993.db2.gz CDCLRFAWJNZEKQ-BBRMVZONSA-N 1 0 302.809 3.296 50 0 DGAARO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2)cc1 ZINC000002902069 180969082 /nfs/dbraw/zinc/96/90/82/180969082.db2.gz LCTGGPPJOAIRSI-UHFFFAOYSA-N 1 0 301.386 3.045 50 0 DGAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC([NH3+])CC1 ZINC000067673895 432034808 /nfs/dbraw/zinc/03/48/08/432034808.db2.gz DYRFCAWYBDWJIB-UHFFFAOYSA-N 1 0 305.809 3.227 50 0 DGAARO CC(C)C[C@H]1C[N@H+](Cc2ccnc(C(C)C)n2)CC[C@@]1(C)O ZINC000067676307 432034827 /nfs/dbraw/zinc/03/48/27/432034827.db2.gz CHQTYLVCLZTVKJ-MAUKXSAKSA-N 1 0 305.466 3.219 50 0 DGAARO COCCC[NH2+]CCOc1ccc(OCc2ccccc2)cc1 ZINC000003461665 181023742 /nfs/dbraw/zinc/02/37/42/181023742.db2.gz PJLMKHPCKBFYTA-UHFFFAOYSA-N 1 0 315.413 3.271 50 0 DGAARO Cc1cc2c(cccc2OC[C@@H](O)C[NH2+]C2CCCCC2)[nH]1 ZINC000004084720 181071476 /nfs/dbraw/zinc/07/14/76/181071476.db2.gz JLQCGZCRAKDWET-HNNXBMFYSA-N 1 0 302.418 3.138 50 0 DGAARO O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/C[NH+]1CCCC1 ZINC000004108495 181073969 /nfs/dbraw/zinc/07/39/69/181073969.db2.gz RXWDJXRBIRGVLN-WGLAMXGCSA-N 1 0 314.429 3.440 50 0 DGAARO O=C(c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004133645 181077644 /nfs/dbraw/zinc/07/76/44/181077644.db2.gz KJEAZMMNNREOQT-HNNXBMFYSA-N 1 0 318.848 3.454 50 0 DGAARO CC(C)OC(=O)[C@H]1CC[NH2+][C@@H]1c1cccc(Br)c1 ZINC000004237870 181086882 /nfs/dbraw/zinc/08/68/82/181086882.db2.gz IXMBVAXQDVTPEC-QWHCGFSZSA-N 1 0 312.207 3.051 50 0 DGAARO Cc1ccc[n+](C[C@H](O)Cn2c3ccccc3c3ccccc32)c1 ZINC000004531261 181120394 /nfs/dbraw/zinc/12/03/94/181120394.db2.gz QDZONAZEMYQLHN-KRWDZBQOSA-N 1 0 317.412 3.452 50 0 DGAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cncn1CC(C)C)CC2 ZINC000067754510 432039580 /nfs/dbraw/zinc/03/95/80/432039580.db2.gz SUGWMYZICJWGQY-QGZVFWFLSA-N 1 0 313.445 3.195 50 0 DGAARO Cc1ccsc1CN(C)c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067757814 432039848 /nfs/dbraw/zinc/03/98/48/432039848.db2.gz QMDWQMLTEJNMLB-UHFFFAOYSA-N 1 0 316.474 3.258 50 0 DGAARO [NH3+]C[C@@H]1Cc2c(c(-c3ccc(C(F)(F)F)nc3)ccc2F)O1 ZINC000067754974 432039482 /nfs/dbraw/zinc/03/94/82/432039482.db2.gz YPMBKLVUUKHUIB-VIFPVBQESA-N 1 0 312.266 3.169 50 0 DGAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000043144689 283028789 /nfs/dbraw/zinc/02/87/89/283028789.db2.gz APGXWFSXXGWAMJ-MRXNPFEDSA-N 1 0 308.466 3.275 50 0 DGAARO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000004723251 181142518 /nfs/dbraw/zinc/14/25/18/181142518.db2.gz HRGWHJOIGDCKQT-HUUCEWRRSA-N 1 0 318.436 3.408 50 0 DGAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000004744546 181146061 /nfs/dbraw/zinc/14/60/61/181146061.db2.gz ICBZZRVURQPCGZ-IRXDYDNUSA-N 1 0 314.473 3.198 50 0 DGAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000004746269 181146835 /nfs/dbraw/zinc/14/68/35/181146835.db2.gz FSRBVJHOSUMFQA-GOSISDBHSA-N 1 0 300.446 3.220 50 0 DGAARO COc1ccccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000004745989 181146913 /nfs/dbraw/zinc/14/69/13/181146913.db2.gz SQUUOBNSBPLQNM-JKSUJKDBSA-N 1 0 316.445 3.032 50 0 DGAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCCC1 ZINC000004746170 181147101 /nfs/dbraw/zinc/14/71/01/181147101.db2.gz MAWQQTOCGFMNML-OAHLLOKOSA-N 1 0 306.837 3.174 50 0 DGAARO COCC[N@H+](Cc1cc2ccc(SC)cc2[nH]c1=O)C(C)C ZINC000067788167 432041181 /nfs/dbraw/zinc/04/11/81/432041181.db2.gz GSHSBZQPNAIYFZ-UHFFFAOYSA-N 1 0 320.458 3.107 50 0 DGAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CSc1ccc(Cl)cc1)C2 ZINC000067817374 432042310 /nfs/dbraw/zinc/04/23/10/432042310.db2.gz FASRDYQTIMSHNO-UONOGXRCSA-N 1 0 324.877 3.127 50 0 DGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCCC3)C2=O)cc1Cl ZINC000004809949 181154637 /nfs/dbraw/zinc/15/46/37/181154637.db2.gz WEYCTZPXRCUNET-OAHLLOKOSA-N 1 0 320.820 3.203 50 0 DGAARO C[C@H](C[NH+]1CCCCCC1)NCc1nc(-c2ccccc2)no1 ZINC000067821036 432042977 /nfs/dbraw/zinc/04/29/77/432042977.db2.gz QAGGINGMGUQANZ-OAHLLOKOSA-N 1 0 314.433 3.091 50 0 DGAARO Cc1ccc2[nH]c([C@H](Nc3cc(C[NH3+])nc(C)n3)C(C)C)nc2c1 ZINC000067842630 432043100 /nfs/dbraw/zinc/04/31/00/432043100.db2.gz GXDXVZNNDYILNU-QGZVFWFLSA-N 1 0 324.432 3.238 50 0 DGAARO CC[C@@H](C)c1ccccc1OCCOCC[NH2+]CCCOC ZINC000004845401 181162385 /nfs/dbraw/zinc/16/23/85/181162385.db2.gz DQYUTDCEDQZCKP-MRXNPFEDSA-N 1 0 309.450 3.222 50 0 DGAARO O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000067859172 432044316 /nfs/dbraw/zinc/04/43/16/432044316.db2.gz DWBZEGVESZUINF-VAMGGRTRSA-N 1 0 320.436 3.323 50 0 DGAARO CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000067847112 432044531 /nfs/dbraw/zinc/04/45/31/432044531.db2.gz ZUCFRPAHJCSHTK-KRWDZBQOSA-N 1 0 308.425 3.312 50 0 DGAARO CCOc1cc(C=O)ccc1OCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004868553 181166404 /nfs/dbraw/zinc/16/64/04/181166404.db2.gz BHNFJDDPGFSZGC-HUUCEWRRSA-N 1 0 305.418 3.255 50 0 DGAARO Cc1ccc(Cl)c(C(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000067868383 432044434 /nfs/dbraw/zinc/04/44/34/432044434.db2.gz OZUPZIHLRYIXFH-UHFFFAOYSA-N 1 0 308.853 3.499 50 0 DGAARO CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCC1 ZINC000073666409 191339529 /nfs/dbraw/zinc/33/95/29/191339529.db2.gz FOICBRWNSWFZHX-KRWDZBQOSA-N 1 0 301.434 3.017 50 0 DGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000004978705 181183839 /nfs/dbraw/zinc/18/38/39/181183839.db2.gz SVIAQKPKYLBSCN-SFHVURJKSA-N 1 0 302.462 3.384 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000005177100 181213699 /nfs/dbraw/zinc/21/36/99/181213699.db2.gz UOWSOTBHKOLRQG-ZDUSSCGKSA-N 1 0 309.417 3.316 50 0 DGAARO CC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000005268670 181224980 /nfs/dbraw/zinc/22/49/80/181224980.db2.gz NXEKYOCXPXLAMJ-UHFFFAOYSA-N 1 0 306.793 3.432 50 0 DGAARO CCN(CC)S(=O)(=O)c1cccc(NC2=[NH+]CCCCC2)c1 ZINC000005568039 181258724 /nfs/dbraw/zinc/25/87/24/181258724.db2.gz OZRQIATWUAJNHF-UHFFFAOYSA-N 1 0 323.462 3.102 50 0 DGAARO Cc1cccc(Cl)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000133355063 432061453 /nfs/dbraw/zinc/06/14/53/432061453.db2.gz FJEFQXZPDOPPCT-OLZOCXBDSA-N 1 0 307.825 3.349 50 0 DGAARO CN(C(=O)/C=C/c1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000237094398 202152304 /nfs/dbraw/zinc/15/23/04/202152304.db2.gz MBWXEKAWSUNNEM-AATRIKPKSA-N 1 0 313.228 3.217 50 0 DGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2sc(C3CCCC3)nc2C)C1 ZINC000237267681 202211334 /nfs/dbraw/zinc/21/13/34/202211334.db2.gz AGAWAIYSDZNRIC-ZDUSSCGKSA-N 1 0 321.490 3.181 50 0 DGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000179216776 199000614 /nfs/dbraw/zinc/00/06/14/199000614.db2.gz LMGWUTIYYCVKJU-MNOVXSKESA-N 1 0 306.406 3.240 50 0 DGAARO C[C@@H]1C[C@H](N(C)c2ncnc3sc4c(c32)CCC4)CC[N@@H+]1C ZINC000170642908 432075564 /nfs/dbraw/zinc/07/55/64/432075564.db2.gz YKQYNVAGEHCZBW-VXGBXAGGSA-N 1 0 316.474 3.099 50 0 DGAARO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000005912035 181295748 /nfs/dbraw/zinc/29/57/48/181295748.db2.gz IUTJVXMQOKJXEE-BBRMVZONSA-N 1 0 305.805 3.431 50 0 DGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000237423998 202261588 /nfs/dbraw/zinc/26/15/88/202261588.db2.gz CLVSGJFMGOUIAE-IUCAKERBSA-N 1 0 319.207 3.332 50 0 DGAARO Cc1ccc2c(c1)[C@H]([NH2+]CCCOC1CCOCC1)[C@@H](C)C2 ZINC000180916530 199227618 /nfs/dbraw/zinc/22/76/18/199227618.db2.gz BBRCFXIZYHQPPB-HNAYVOBHSA-N 1 0 303.446 3.404 50 0 DGAARO Cc1ccc([C@H](C)NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1F ZINC000237426560 202262163 /nfs/dbraw/zinc/26/21/63/202262163.db2.gz FFRJZRWWVUOBNM-BBRMVZONSA-N 1 0 300.377 3.054 50 0 DGAARO [NH3+]C[C@@H]1Cc2cc(-c3ncnc4sccc43)cc(Cl)c2O1 ZINC000067872071 283488385 /nfs/dbraw/zinc/48/83/85/283488385.db2.gz GBMPWPQYJBTGND-JTQLQIEISA-N 1 0 317.801 3.274 50 0 DGAARO [NH3+][C@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000237846742 202368814 /nfs/dbraw/zinc/36/88/14/202368814.db2.gz MPDGQSFSTUTERL-AWEZNQCLSA-N 1 0 300.789 3.180 50 0 DGAARO Clc1ccc(N2CC[C@@H]([NH2+]C3CCOCC3)C2)c(Cl)c1 ZINC000188934721 200324460 /nfs/dbraw/zinc/32/44/60/200324460.db2.gz LMLRYSQUAYRYJB-CYBMUJFWSA-N 1 0 315.244 3.341 50 0 DGAARO CC(C)[N@H+](Cc1ccn(-c2ccccc2F)n1)C1CCOCC1 ZINC000189196468 200362936 /nfs/dbraw/zinc/36/29/36/200362936.db2.gz FLIANAYARGUUPL-UHFFFAOYSA-N 1 0 317.408 3.401 50 0 DGAARO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@H](C)c1ccccc1 ZINC000194530402 201244864 /nfs/dbraw/zinc/24/48/64/201244864.db2.gz DEGSKNOOQJNBKU-JKSUJKDBSA-N 1 0 321.424 3.178 50 0 DGAARO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)n1 ZINC000194613146 201262450 /nfs/dbraw/zinc/26/24/50/201262450.db2.gz UNBCKSOTSYHSSG-OLZOCXBDSA-N 1 0 315.339 3.232 50 0 DGAARO C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195529225 201399022 /nfs/dbraw/zinc/39/90/22/201399022.db2.gz NETOMWBLWZCCJP-OLMMMNRUSA-N 1 0 314.473 3.437 50 0 DGAARO C[C@H](O)CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000195555484 201409738 /nfs/dbraw/zinc/40/97/38/201409738.db2.gz KRIQRXPJVNSARC-XHDPSFHLSA-N 1 0 324.218 3.492 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000248109615 202720173 /nfs/dbraw/zinc/72/01/73/202720173.db2.gz GUTYJSHOGDKGEM-MLHJIOFPSA-N 1 0 316.420 3.014 50 0 DGAARO CSc1nc2c3c(sc2c(NCC[NH+](C)C)n1)CCCC3 ZINC000006669399 181367817 /nfs/dbraw/zinc/36/78/17/181367817.db2.gz KZJJNAQWINMGPL-UHFFFAOYSA-N 1 0 322.503 3.266 50 0 DGAARO CCOc1cccc(C[NH2+]C[C@@H](C)O)c1OCc1ccccc1 ZINC000006704058 181374827 /nfs/dbraw/zinc/37/48/27/181374827.db2.gz SESZHNIELUZQLB-OAHLLOKOSA-N 1 0 315.413 3.135 50 0 DGAARO CCOC(=O)C1CC[NH+](CCCOc2cccc(C)c2C)CC1 ZINC000006704025 181375363 /nfs/dbraw/zinc/37/53/63/181375363.db2.gz XWSBTUYARMRERN-UHFFFAOYSA-N 1 0 319.445 3.347 50 0 DGAARO C[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000006731129 181379056 /nfs/dbraw/zinc/37/90/56/181379056.db2.gz OXPDJVPJMNHSDT-UHFFFAOYSA-N 1 0 302.205 3.209 50 0 DGAARO Cc1cc(C)c2c(n1)sc1c2ncnc1NCCC[NH+](C)C ZINC000006759399 181384859 /nfs/dbraw/zinc/38/48/59/181384859.db2.gz FVHNCSWMKILNDI-UHFFFAOYSA-N 1 0 315.446 3.220 50 0 DGAARO CC(C)(C)c1ccc2[nH]c(-c3cn(C4CC[NH2+]CC4)nn3)nc2c1 ZINC000091426743 193053717 /nfs/dbraw/zinc/05/37/17/193053717.db2.gz IPVRZNLABVJWOX-UHFFFAOYSA-N 1 0 324.432 3.043 50 0 DGAARO C[C@H](c1ccc(-c2cn(CCc3cccnc3)nn2)cc1)[NH+](C)C ZINC000091593339 193076515 /nfs/dbraw/zinc/07/65/15/193076515.db2.gz UKRWBLAUSXUVBD-OAHLLOKOSA-N 1 0 321.428 3.205 50 0 DGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1F)CC2 ZINC000091476798 193062671 /nfs/dbraw/zinc/06/26/71/193062671.db2.gz URHGFJSEGLQAEC-UHFFFAOYSA-N 1 0 318.436 3.359 50 0 DGAARO Cc1cc(C)n(-c2ccccc2C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)n1 ZINC000091713200 193095757 /nfs/dbraw/zinc/09/57/57/193095757.db2.gz SGNRMQUCPLMUAZ-KUHUBIRLSA-N 1 0 313.445 3.082 50 0 DGAARO Cc1ccsc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091713963 193096090 /nfs/dbraw/zinc/09/60/90/193096090.db2.gz PANIMWMEWWSXAE-HUUCEWRRSA-N 1 0 304.459 3.003 50 0 DGAARO CC[C@H]([NH2+]Cc1cc(=O)c2c(C)ccc(C)c2[nH]1)c1cnn(C)c1 ZINC000091636099 193083005 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Cc1ncc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)s1 ZINC000020451919 182218756 /nfs/dbraw/zinc/21/87/56/182218756.db2.gz AJBWLSUGPZOTAS-OAHLLOKOSA-N 1 0 319.449 3.345 50 0 DGAARO C[N@@H+]1CCCC[C@H]1CC(=O)NCc1cccc(Cl)c1Cl ZINC000097696281 193748285 /nfs/dbraw/zinc/74/82/85/193748285.db2.gz MUFMFMNLTPFJMU-LBPRGKRZSA-N 1 0 315.244 3.484 50 0 DGAARO CCC(=O)c1ccc(OCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020639707 182240596 /nfs/dbraw/zinc/24/05/96/182240596.db2.gz MJTACYNTVMKCPC-GJZGRUSLSA-N 1 0 305.418 3.157 50 0 DGAARO CCCCOc1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000020653311 182242298 /nfs/dbraw/zinc/24/22/98/182242298.db2.gz XMBNKXOMKDPOON-UHFFFAOYSA-N 1 0 307.434 3.357 50 0 DGAARO Cc1ccc(OCCN2CC[NH+](C)CC2)c(Cc2ccccc2)c1 ZINC000020652895 182242418 /nfs/dbraw/zinc/24/24/18/182242418.db2.gz MIROPJRVCZUDEI-UHFFFAOYSA-N 1 0 324.468 3.212 50 0 DGAARO Cc1cccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000021783237 182288172 /nfs/dbraw/zinc/28/81/72/182288172.db2.gz WPAHWBREPYJCHV-UHFFFAOYSA-N 1 0 309.413 3.175 50 0 DGAARO CSc1ccccc1NC(=O)CNCC[NH+](C(C)C)C(C)C ZINC000022029727 182305221 /nfs/dbraw/zinc/30/52/21/182305221.db2.gz HBCVQLKXARBPAC-UHFFFAOYSA-N 1 0 323.506 3.055 50 0 DGAARO CSc1ccc(C)c(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000022989627 182343954 /nfs/dbraw/zinc/34/39/54/182343954.db2.gz JUTXVMDEJKODQR-UHFFFAOYSA-N 1 0 306.475 3.320 50 0 DGAARO Cc1cccc(CC(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000023014537 182345115 /nfs/dbraw/zinc/34/51/15/182345115.db2.gz ABDOWMMBULLMBZ-UHFFFAOYSA-N 1 0 314.473 3.308 50 0 DGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)c[nH]1 ZINC000024115842 182375749 /nfs/dbraw/zinc/37/57/49/182375749.db2.gz XMLKYPVGNDELJG-UHFFFAOYSA-N 1 0 317.820 3.194 50 0 DGAARO Cc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000024566679 182383893 /nfs/dbraw/zinc/38/38/93/182383893.db2.gz QETRIAKDKTYMPA-OAHLLOKOSA-N 1 0 317.458 3.159 50 0 DGAARO C[NH+](C)C1(CNC(=O)[C@]2(C)CC2(Cl)Cl)CCCCCC1 ZINC000024582531 182384721 /nfs/dbraw/zinc/38/47/21/182384721.db2.gz XSDRZCUJFIGBNW-ZDUSSCGKSA-N 1 0 321.292 3.341 50 0 DGAARO CCC[NH+]1CCC(NC(=O)CCc2ccc(CC)cc2)CC1 ZINC000039984973 183026428 /nfs/dbraw/zinc/02/64/28/183026428.db2.gz QNWMSGSFLJTQHX-UHFFFAOYSA-N 1 0 302.462 3.172 50 0 DGAARO CC(=O)Nc1ccc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000039199949 183015139 /nfs/dbraw/zinc/01/51/39/183015139.db2.gz LMTJPEYRKYBZAC-FQEVSTJZSA-N 1 0 323.440 3.134 50 0 DGAARO Cc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039406295 183017834 /nfs/dbraw/zinc/01/78/34/183017834.db2.gz JONSTBSAEDJNJR-OAQYLSRUSA-N 1 0 324.468 3.064 50 0 DGAARO C[NH+](C)C1(CNC(=O)CCc2ccccc2Cl)CCCC1 ZINC000040092700 183033492 /nfs/dbraw/zinc/03/34/92/183033492.db2.gz YMDNBGYLYXGYNX-UHFFFAOYSA-N 1 0 308.853 3.263 50 0 DGAARO CCOc1ccccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000040541765 183097663 /nfs/dbraw/zinc/09/76/63/183097663.db2.gz GDKZJMCZVVWSKZ-UHFFFAOYSA-N 1 0 316.445 3.033 50 0 DGAARO C[N@H+](CCCNC(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000041533181 183198691 /nfs/dbraw/zinc/19/86/91/183198691.db2.gz 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183635344 /nfs/dbraw/zinc/63/53/44/183635344.db2.gz FULSEZSWWCAXLE-HOTGVXAUSA-N 1 0 320.452 3.243 50 0 DGAARO CCN(C(=O)c1ccccn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106754014 194250156 /nfs/dbraw/zinc/25/01/56/194250156.db2.gz KZBYAZPOTCUKDD-SJLPKXTDSA-N 1 0 323.440 3.379 50 0 DGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000040107536 296311237 /nfs/dbraw/zinc/31/12/37/296311237.db2.gz RUEIMMIMMQVANF-DGTBMVLOSA-N 1 0 304.478 3.193 50 0 DGAARO C[C@H]([NH2+]Cc1cccc(Cl)c1)C(=O)NCc1ccccc1 ZINC000057024406 184025012 /nfs/dbraw/zinc/02/50/12/184025012.db2.gz KANDBVPCKLDAQT-ZDUSSCGKSA-N 1 0 302.805 3.135 50 0 DGAARO Cc1cc(C)c(C[NH2+]CCc2nnc3n2CCCCC3)c(C)c1 ZINC000058014564 184067361 /nfs/dbraw/zinc/06/73/61/184067361.db2.gz VQFNSCJXYXSHLF-UHFFFAOYSA-N 1 0 312.461 3.262 50 0 DGAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2sccc21 ZINC000058173596 184084500 /nfs/dbraw/zinc/08/45/00/184084500.db2.gz WGOXKOHSIWMOAW-FRRDWIJNSA-N 1 0 304.463 3.470 50 0 DGAARO C[C@@H](NC[C@H](c1cccs1)[NH+](C)C)c1nc(C(C)(C)C)no1 ZINC000058177854 184085033 /nfs/dbraw/zinc/08/50/33/184085033.db2.gz ZIHBTYHLFJUPRP-VXGBXAGGSA-N 1 0 322.478 3.382 50 0 DGAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccc(Cl)cc2)cn1 ZINC000058180548 184085672 /nfs/dbraw/zinc/08/56/72/184085672.db2.gz CWIHNMBMGRPRKE-UHFFFAOYSA-N 1 0 320.824 3.131 50 0 DGAARO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000058212046 184088769 /nfs/dbraw/zinc/08/87/69/184088769.db2.gz TUHBCZHAOBBSJB-RHSMWYFYSA-N 1 0 319.424 3.157 50 0 DGAARO CCSCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000058210375 184088917 /nfs/dbraw/zinc/08/89/17/184088917.db2.gz UDNHRXNTVLARFU-MRXNPFEDSA-N 1 0 320.502 3.400 50 0 DGAARO COCc1ccccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000058155496 184081647 /nfs/dbraw/zinc/08/16/47/184081647.db2.gz COQFDLHSDABPOK-BEFAXECRSA-N 1 0 318.461 3.073 50 0 DGAARO O=C(Cc1ccccc1F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058266008 184096728 /nfs/dbraw/zinc/09/67/28/184096728.db2.gz WISSINAAYJLTKL-UHFFFAOYSA-N 1 0 318.436 3.139 50 0 DGAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc2ccccc21 ZINC000058296381 184102419 /nfs/dbraw/zinc/10/24/19/184102419.db2.gz SIVHCJXOISTWKQ-HUUCEWRRSA-N 1 0 306.413 3.429 50 0 DGAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc(C(F)(F)F)c1 ZINC000058296406 184102645 /nfs/dbraw/zinc/10/26/45/184102645.db2.gz HSQXVJOLVOWATQ-VXGBXAGGSA-N 1 0 324.350 3.294 50 0 DGAARO Cc1noc(C)c1[C@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000058331090 184106758 /nfs/dbraw/zinc/10/67/58/184106758.db2.gz REHZAXUZVBMPGG-KBPBESRZSA-N 1 0 321.465 3.166 50 0 DGAARO O=c1cc(C[N@H+](CC2CCCCC2)C2CC2)nc2sccn21 ZINC000059409138 184138576 /nfs/dbraw/zinc/13/85/76/184138576.db2.gz QAFCXWUXWDJDGP-UHFFFAOYSA-N 1 0 317.458 3.301 50 0 DGAARO CC[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000065387624 184333775 /nfs/dbraw/zinc/33/37/75/184333775.db2.gz RQVMFIHAQZRGLX-GOSISDBHSA-N 1 0 300.446 3.272 50 0 DGAARO c1coc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000065286847 184322074 /nfs/dbraw/zinc/32/20/74/184322074.db2.gz GJHZPXYFCBSROP-HNNXBMFYSA-N 1 0 308.385 3.444 50 0 DGAARO c1coc(C[N@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)c1 ZINC000065287775 184322678 /nfs/dbraw/zinc/32/26/78/184322678.db2.gz FAZGIFFNQNOCMX-KRWDZBQOSA-N 1 0 322.412 3.299 50 0 DGAARO Cc1ccsc1C[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000065288613 184323124 /nfs/dbraw/zinc/32/31/24/184323124.db2.gz BOKFGWJBRAJUFX-KRWDZBQOSA-N 1 0 302.443 3.397 50 0 DGAARO C[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000065362224 184328478 /nfs/dbraw/zinc/32/84/78/184328478.db2.gz RAWWJBGGSXHXHL-UHFFFAOYSA-N 1 0 324.424 3.090 50 0 DGAARO c1coc(-c2cc(C[NH2+][C@@H]3CCN(c4ccccc4)C3)no2)c1 ZINC000065374010 184330438 /nfs/dbraw/zinc/33/04/38/184330438.db2.gz HXIYIGMLIKJHFC-CQSZACIVSA-N 1 0 309.369 3.303 50 0 DGAARO Cc1cc(N2CC([NH+]3CCCCC3)C2)nc(-c2ccccc2)n1 ZINC000065380719 184332135 /nfs/dbraw/zinc/33/21/35/184332135.db2.gz WKYSGSQOQSNQRP-UHFFFAOYSA-N 1 0 308.429 3.127 50 0 DGAARO CC[C@@H]([NH2+]CCc1nc(C)c(C)s1)C(=O)Nc1ccccc1 ZINC000065383507 184332371 /nfs/dbraw/zinc/33/23/71/184332371.db2.gz JRZPFUIZAXAOJG-OAHLLOKOSA-N 1 0 317.458 3.309 50 0 DGAARO Cn1cc(C2=CC[N@H+](CCCOc3ccc(F)cc3)CC2)cn1 ZINC000065383382 184332736 /nfs/dbraw/zinc/33/27/36/184332736.db2.gz ROSGXPOWXWCOPC-UHFFFAOYSA-N 1 0 315.392 3.117 50 0 DGAARO Cc1c2ccc(C)cc2oc1C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC000065418891 184341294 /nfs/dbraw/zinc/34/12/94/184341294.db2.gz CTBWAVSLWYGMOU-AWEZNQCLSA-N 1 0 300.402 3.264 50 0 DGAARO Cc1nc(-n2cnnc2)ccc1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000065404532 184337913 /nfs/dbraw/zinc/33/79/13/184337913.db2.gz XUGLAHGTVLMQPE-AWEZNQCLSA-N 1 0 307.401 3.260 50 0 DGAARO CCC[NH+]1CCC(CC(=O)N[C@H](C)c2ccc(O)c(F)c2)CC1 ZINC000065526155 184359539 /nfs/dbraw/zinc/35/95/39/184359539.db2.gz KZHDWDVHNHAUQS-CYBMUJFWSA-N 1 0 322.424 3.221 50 0 DGAARO CCc1nc(C)c(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)[nH]1 ZINC000065526377 184359635 /nfs/dbraw/zinc/35/96/35/184359635.db2.gz AZBOWVBUFVZHSO-UHFFFAOYSA-N 1 0 309.417 3.098 50 0 DGAARO CCc1nc(CN2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cs1 ZINC000065542378 184363756 /nfs/dbraw/zinc/36/37/56/184363756.db2.gz SRPWGPJIQNMQFS-CQSZACIVSA-N 1 0 316.474 3.343 50 0 DGAARO Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119754964 195030137 /nfs/dbraw/zinc/03/01/37/195030137.db2.gz LNEWRXQYNSEJAS-OAHLLOKOSA-N 1 0 304.434 3.259 50 0 DGAARO Cc1cc(C)c2ncn(C3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)c2c1 ZINC000032551074 291838747 /nfs/dbraw/zinc/83/87/47/291838747.db2.gz KRWOIGGCYKJQHE-UHFFFAOYSA-N 1 0 313.445 3.495 50 0 DGAARO C[NH2+]C1CCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)CC1 ZINC000255021842 285120797 /nfs/dbraw/zinc/12/07/97/285120797.db2.gz YVQCQZKVQJIAOH-DJWKRKHSSA-N 1 0 313.228 3.217 50 0 DGAARO C[C@H](CC(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000158498976 197278200 /nfs/dbraw/zinc/27/82/00/197278200.db2.gz BOTRDZWTWSNDMO-NEPJUHHUSA-N 1 0 314.351 3.149 50 0 DGAARO Cc1cc(CCCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000156585529 197125171 /nfs/dbraw/zinc/12/51/71/197125171.db2.gz KOMFGYGWPLYDQL-XJKSGUPXSA-N 1 0 308.491 3.273 50 0 DGAARO C[C@H](O)C[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000289876911 221287758 /nfs/dbraw/zinc/28/77/58/221287758.db2.gz MDGDDIQJCUBSAV-HOCLYGCPSA-N 1 0 322.449 3.003 50 0 DGAARO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237608811 257238581 /nfs/dbraw/zinc/23/85/81/257238581.db2.gz SOUDLPMMZBLNAH-OFQRWUPVSA-N 1 0 318.461 3.090 50 0 DGAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000237590239 257238744 /nfs/dbraw/zinc/23/87/44/257238744.db2.gz IYZBWWDGZNZMOA-WMLDXEAASA-N 1 0 302.462 3.255 50 0 DGAARO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000240555856 257259633 /nfs/dbraw/zinc/25/96/33/257259633.db2.gz GXWPNJPHEYEQFP-ULQDDVLXSA-N 1 0 316.445 3.131 50 0 DGAARO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1nc2ccccc2s1 ZINC000058306655 257270092 /nfs/dbraw/zinc/27/00/92/257270092.db2.gz BMUBHZYZHWAUHR-NSHDSACASA-N 1 0 306.435 3.148 50 0 DGAARO Clc1ccc(CCC[NH+]2CCN(c3cccnc3)CC2)cc1 ZINC000020820191 134649229 /nfs/dbraw/zinc/64/92/29/134649229.db2.gz OYHTXOXHBFLXMO-UHFFFAOYSA-N 1 0 315.848 3.490 50 0 DGAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2COC)[C@H](C)C1 ZINC000095450967 285876809 /nfs/dbraw/zinc/87/68/09/285876809.db2.gz HLQQCQCOKOEGJJ-RKVPGOIHSA-N 1 0 319.445 3.291 50 0 DGAARO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccsc1 ZINC000090914402 400083046 /nfs/dbraw/zinc/08/30/46/400083046.db2.gz RJKKNJYGGPSMDZ-WBAXXEDZSA-N 1 0 316.470 3.034 50 0 DGAARO Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COc3ccccc3O1)CCC2 ZINC000323075801 400176385 /nfs/dbraw/zinc/17/63/85/400176385.db2.gz XPQWPIYCNQHZBM-RDJZCZTQSA-N 1 0 311.381 3.199 50 0 DGAARO Cc1ccc(OCc2nc(C[NH2+]CC3CSC3)cs2)cc1 ZINC000585135974 400127229 /nfs/dbraw/zinc/12/72/29/400127229.db2.gz KXGRXAJDRBQUFZ-UHFFFAOYSA-N 1 0 320.483 3.483 50 0 DGAARO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048412 400139954 /nfs/dbraw/zinc/13/99/54/400139954.db2.gz PIGLVPZWIWEUKT-GJZGRUSLSA-N 1 0 321.490 3.114 50 0 DGAARO CSc1ccc2c(C)cc(N3CCC[N@H+](C)CC3)nc2c1 ZINC000023634022 400211102 /nfs/dbraw/zinc/21/11/02/400211102.db2.gz SKADLQCJVJGKMO-UHFFFAOYSA-N 1 0 301.459 3.407 50 0 DGAARO c1ccc([C@@H]([NH2+]C2CCC3(CC2)OCCO3)c2ccncc2)cc1 ZINC000097233879 400284801 /nfs/dbraw/zinc/28/48/01/400284801.db2.gz YJVSWYATCJHFGQ-LJQANCHMSA-N 1 0 324.424 3.446 50 0 DGAARO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCCC[C@H]2C)C(C)C)cc1 ZINC000036416289 400390526 /nfs/dbraw/zinc/39/05/26/400390526.db2.gz JLOVKSUFLAXQEE-BEFAXECRSA-N 1 0 318.461 3.383 50 0 DGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000069967184 400349841 /nfs/dbraw/zinc/34/98/41/400349841.db2.gz RSWBGCJWIALVPY-IRXDYDNUSA-N 1 0 323.444 3.176 50 0 DGAARO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000070856778 400358854 /nfs/dbraw/zinc/35/88/54/400358854.db2.gz GXNRHCZPFSBAOI-CQSZACIVSA-N 1 0 315.442 3.023 50 0 DGAARO CCCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000124596185 400476487 /nfs/dbraw/zinc/47/64/87/400476487.db2.gz JODYJXZAQBOBLH-VXGBXAGGSA-N 1 0 304.360 3.207 50 0 DGAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCOc2cccnc2)cc1 ZINC000169042186 400758194 /nfs/dbraw/zinc/75/81/94/400758194.db2.gz UMOIHDULERYXEF-HNNXBMFYSA-N 1 0 322.412 3.305 50 0 DGAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000169678644 400758943 /nfs/dbraw/zinc/75/89/43/400758943.db2.gz DQPVVGWFLYSCAG-DOTOQJQBSA-N 1 0 309.450 3.082 50 0 DGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3sccc3C)C2)CC1 ZINC000169783520 400761259 /nfs/dbraw/zinc/76/12/59/400761259.db2.gz GJWIECLCBXRSFB-MRXNPFEDSA-N 1 0 306.475 3.137 50 0 DGAARO CCC[NH+](CCC)CCCOC(=O)c1cnn(CC(C)C)c1 ZINC000170617254 400767597 /nfs/dbraw/zinc/76/75/97/400767597.db2.gz PYYUSFSOXUVMSG-UHFFFAOYSA-N 1 0 309.454 3.208 50 0 DGAARO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000170642701 400768398 /nfs/dbraw/zinc/76/83/98/400768398.db2.gz QSYLDVOCPYXICR-CABCVRRESA-N 1 0 317.351 3.268 50 0 DGAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000078898211 400831361 /nfs/dbraw/zinc/83/13/61/400831361.db2.gz TUIGPYDRXPCELE-BLLLJJGKSA-N 1 0 306.837 3.077 50 0 DGAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000078898167 400831369 /nfs/dbraw/zinc/83/13/69/400831369.db2.gz JIYOVAYKOHNFAO-LRDDRELGSA-N 1 0 306.837 3.077 50 0 DGAARO Cc1ncsc1CC[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000078890821 400831473 /nfs/dbraw/zinc/83/14/73/400831473.db2.gz WKXYJOLGFVBULF-ZDUSSCGKSA-N 1 0 318.446 3.134 50 0 DGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000078897526 400831561 /nfs/dbraw/zinc/83/15/61/400831561.db2.gz BMMHAQMJIKXXJH-MLGOLLRUSA-N 1 0 318.392 3.309 50 0 DGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000078897249 400831941 /nfs/dbraw/zinc/83/19/41/400831941.db2.gz JYPVYZZBVRMPJQ-YOEHRIQHSA-N 1 0 314.429 3.478 50 0 DGAARO O[C@@H](CN1CCC[N@@H+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000172585951 400834012 /nfs/dbraw/zinc/83/40/12/400834012.db2.gz MLYVFXNWVKFIKV-SFHVURJKSA-N 1 0 322.880 3.324 50 0 DGAARO Cc1cc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)c(C)o1 ZINC000183808031 400902157 /nfs/dbraw/zinc/90/21/57/400902157.db2.gz ULELMASOQHJNJL-NEPJUHHUSA-N 1 0 306.431 3.486 50 0 DGAARO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccnn1C)CCCS2 ZINC000188464674 400908231 /nfs/dbraw/zinc/90/82/31/400908231.db2.gz LBTCEVMVLMXMRV-INIZCTEOSA-N 1 0 317.458 3.188 50 0 DGAARO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(n3cncn3)CC2)C1 ZINC000189826482 400909561 /nfs/dbraw/zinc/90/95/61/400909561.db2.gz RLGYUUYQIYMJSI-RBUKOAKNSA-N 1 0 310.445 3.425 50 0 DGAARO CC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000245225454 401003706 /nfs/dbraw/zinc/00/37/06/401003706.db2.gz VRFZBJIQPMQNMG-ZIAGYGMSSA-N 1 0 317.433 3.274 50 0 DGAARO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000225473847 400959111 /nfs/dbraw/zinc/95/91/11/400959111.db2.gz COLJVAPEMHMSEG-OAHLLOKOSA-N 1 0 300.402 3.140 50 0 DGAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC000248131502 401066615 /nfs/dbraw/zinc/06/66/15/401066615.db2.gz NGWGUYMFIHZAEM-LSDHHAIUSA-N 1 0 310.800 3.178 50 0 DGAARO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@H]1COc2ccccc21 ZINC000248564278 401072234 /nfs/dbraw/zinc/07/22/34/401072234.db2.gz DNPANLOIBCNKEY-JCURWCKSSA-N 1 0 301.361 3.013 50 0 DGAARO Cc1cccc(CN2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)c1 ZINC000252482637 401095074 /nfs/dbraw/zinc/09/50/74/401095074.db2.gz DLMIIRSIVIZMFX-IBGZPJMESA-N 1 0 300.446 3.242 50 0 DGAARO Cc1ccc([C@@H](C)NC(=O)C2([NH+]3CCCC3)CCCCC2)cn1 ZINC000220064935 292191989 /nfs/dbraw/zinc/19/19/89/292191989.db2.gz IREHZDDDHUIKTJ-MRXNPFEDSA-N 1 0 315.461 3.366 50 0 DGAARO Cc1cccc([C@H](C)NC(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624181586 401635611 /nfs/dbraw/zinc/63/56/11/401635611.db2.gz VDCDEUGVPZVMIS-JKSUJKDBSA-N 1 0 303.450 3.087 50 0 DGAARO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nc(C)nc32)C12CCCCC2 ZINC000245923406 286293247 /nfs/dbraw/zinc/29/32/47/286293247.db2.gz RCCZIPMICSYKBH-ARFHVFGLSA-N 1 0 318.465 3.139 50 0 DGAARO COCc1noc([C@H](C)N2CCSC3(CCCCC3)C2)n1 ZINC000181973963 432152733 /nfs/dbraw/zinc/15/27/33/432152733.db2.gz SCYUVKGBYNKVNK-LBPRGKRZSA-N 1 0 311.451 3.029 50 0 DGAARO Cc1cc(N[C@H](C)[C@@H]2CCOC2)ccc1OCC[NH+]1CCCC1 ZINC000182236966 432170939 /nfs/dbraw/zinc/17/09/39/432170939.db2.gz CPEQGSBVPUIWRZ-IAGOWNOFSA-N 1 0 318.461 3.307 50 0 DGAARO Fc1ccccc1CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000137565657 432178073 /nfs/dbraw/zinc/17/80/73/432178073.db2.gz HUKLZEVIPCBKOF-MRXNPFEDSA-N 1 0 324.403 3.291 50 0 DGAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cscn2)[C@@H]1c1cccs1 ZINC000129771259 196074615 /nfs/dbraw/zinc/07/46/15/196074615.db2.gz BPXZSCXBQFQQSB-BXUZGUMPSA-N 1 0 321.471 3.018 50 0 DGAARO Cc1ccccc1-c1nc(C(=O)N2CCCC[C@H]2C[NH3+])cs1 ZINC000131099045 196139996 /nfs/dbraw/zinc/13/99/96/196139996.db2.gz CWUUMGMLPMSMND-ZDUSSCGKSA-N 1 0 315.442 3.072 50 0 DGAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000191073247 432217148 /nfs/dbraw/zinc/21/71/48/432217148.db2.gz 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C[C@@H](CCc1ccccc1)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000069420612 431187201 /nfs/dbraw/zinc/18/72/01/431187201.db2.gz RRSJELXAZVCGII-INIZCTEOSA-N 1 0 302.462 3.198 50 0 DGAARO COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000069487985 431190266 /nfs/dbraw/zinc/19/02/66/431190266.db2.gz KBOMCWCBVDKYSY-QZTJIDSGSA-N 1 0 324.424 3.499 50 0 DGAARO c1nc2n(n1)C[C@@H]([NH2+]Cc1cccc(-c3ccccc3)c1)CC2 ZINC000069493261 431192996 /nfs/dbraw/zinc/19/29/96/431192996.db2.gz PEUVUDCMUTZQIR-SFHVURJKSA-N 1 0 304.397 3.050 50 0 DGAARO c1nc2n(n1)C[C@@H]([NH2+]Cc1cc(-c3ccccc3)cs1)CC2 ZINC000069491548 431193520 /nfs/dbraw/zinc/19/35/20/431193520.db2.gz QYVIFOHDTMKHFZ-HNNXBMFYSA-N 1 0 310.426 3.111 50 0 DGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000069512780 431193883 /nfs/dbraw/zinc/19/38/83/431193883.db2.gz MPKNRTYWZPEPOM-CHWSQXEVSA-N 1 0 321.490 3.139 50 0 DGAARO O=C(NCC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000000523644 431196757 /nfs/dbraw/zinc/19/67/57/431196757.db2.gz 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307.825 3.020 50 0 DGAARO OC1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000071837462 431297869 /nfs/dbraw/zinc/29/78/69/431297869.db2.gz AFYQQMCPYJPKGX-UHFFFAOYSA-N 1 0 305.809 3.123 50 0 DGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1 ZINC000004123056 431298549 /nfs/dbraw/zinc/29/85/49/431298549.db2.gz WYPLBWQZAVGLHZ-UHFFFAOYSA-N 1 0 323.440 3.389 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000004744277 431300525 /nfs/dbraw/zinc/30/05/25/431300525.db2.gz RDXFSPOFYBNRJV-OKILXGFUSA-N 1 0 306.475 3.331 50 0 DGAARO CCN(Cc1ccoc1)C(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC000071885986 431308597 /nfs/dbraw/zinc/30/85/97/431308597.db2.gz SYRKIZYWKOTNTR-UHFFFAOYSA-N 1 0 319.449 3.242 50 0 DGAARO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC000002655944 431261177 /nfs/dbraw/zinc/26/11/77/431261177.db2.gz BAPKHUKMWKHLGY-FUHWJXTLSA-N 1 0 323.477 3.377 50 0 DGAARO Cc1csc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000070928354 431266355 /nfs/dbraw/zinc/26/63/55/431266355.db2.gz 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/nfs/dbraw/zinc/37/75/97/431377597.db2.gz FOICBRWNSWFZHX-QGZVFWFLSA-N 1 0 301.434 3.017 50 0 DGAARO CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000008337116 431392782 /nfs/dbraw/zinc/39/27/82/431392782.db2.gz LLYQGHJMQQQHFU-MRXNPFEDSA-N 1 0 303.377 3.265 50 0 DGAARO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000008328273 431394015 /nfs/dbraw/zinc/39/40/15/431394015.db2.gz SDAWAFPNWRNNSF-GDZNZVCISA-N 1 0 317.433 3.140 50 0 DGAARO COc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1Cl ZINC000008673888 431406341 /nfs/dbraw/zinc/40/63/41/431406341.db2.gz JWOZEJHPFWPSNP-UHFFFAOYSA-N 1 0 324.852 3.343 50 0 DGAARO Cc1nc2sc3c(c2c(N2CC[NH+](C)CC2)n1)CCCCC3 ZINC000009577021 431439085 /nfs/dbraw/zinc/43/90/85/431439085.db2.gz OBOXRMXXTGFXMU-UHFFFAOYSA-N 1 0 316.474 3.020 50 0 DGAARO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000009547027 431439860 /nfs/dbraw/zinc/43/98/60/431439860.db2.gz GSZNTINQNJDHPT-LLVKDONJSA-N 1 0 316.323 3.398 50 0 DGAARO C[NH+](C)CCN(Cc1cccs1)C(=O)CCc1ccccc1 ZINC000075108249 431454874 /nfs/dbraw/zinc/45/48/74/431454874.db2.gz KCJWPHSTECTMPI-UHFFFAOYSA-N 1 0 316.470 3.271 50 0 DGAARO CC1(C)C[N@H+](CCCOc2ccc3c(c2)OCO3)CCS1 ZINC000075107719 431455424 /nfs/dbraw/zinc/45/54/24/431455424.db2.gz ABRIIYWUZSKICS-UHFFFAOYSA-N 1 0 309.431 3.012 50 0 DGAARO Cc1ccc([C@H](CNC(=O)CCc2ccccc2)[NH+](C)C)cc1 ZINC000010328883 431459619 /nfs/dbraw/zinc/45/96/19/431459619.db2.gz XCUHXEPOIOKXQP-IBGZPJMESA-N 1 0 310.441 3.347 50 0 DGAARO C[C@H](C(=O)N1CCCC[C@H]1c1nccs1)[NH+]1CCCCCC1 ZINC000076042860 431516615 /nfs/dbraw/zinc/51/66/15/431516615.db2.gz WPTAYNUWBKOJFH-CABCVRRESA-N 1 0 321.490 3.461 50 0 DGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000012593554 431520484 /nfs/dbraw/zinc/52/04/84/431520484.db2.gz OMPPTOMQPFZOON-INIZCTEOSA-N 1 0 314.454 3.390 50 0 DGAARO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000012704323 431523375 /nfs/dbraw/zinc/52/33/75/431523375.db2.gz MKNOOJFMMRTJJM-ZDUSSCGKSA-N 1 0 303.402 3.151 50 0 DGAARO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCc1cccs1 ZINC000012796646 431530038 /nfs/dbraw/zinc/53/00/38/431530038.db2.gz JSTIKEGQAARPQX-QWHCGFSZSA-N 1 0 318.442 3.112 50 0 DGAARO CCc1ccc(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)o1 ZINC000011952719 431486790 /nfs/dbraw/zinc/48/67/90/431486790.db2.gz GFLXCEQJWYQVCI-UHFFFAOYSA-N 1 0 304.434 3.113 50 0 DGAARO C[NH+](C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCC1 ZINC000011917188 431487723 /nfs/dbraw/zinc/48/77/23/431487723.db2.gz CQNKWCDMWRCQHH-UHFFFAOYSA-N 1 0 308.853 3.263 50 0 DGAARO Cc1ccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccc2)o1 ZINC000012040362 431490567 /nfs/dbraw/zinc/49/05/67/431490567.db2.gz HXOVNUZUPKFNKQ-QGZVFWFLSA-N 1 0 312.413 3.259 50 0 DGAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000012328105 431500027 /nfs/dbraw/zinc/50/00/27/431500027.db2.gz MNAUZBASDLSNEB-HKUYNNGSSA-N 1 0 324.424 3.071 50 0 DGAARO O=C1c2ccccc2C(=O)N1c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012320992 431501270 /nfs/dbraw/zinc/50/12/70/431501270.db2.gz SOOHVQUSPMMHPM-UHFFFAOYSA-N 1 0 320.392 3.473 50 0 DGAARO CC(C)[NH+]1CCC(NC(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000012382531 431502522 /nfs/dbraw/zinc/50/25/22/431502522.db2.gz COXXBNQAAMQBNW-UHFFFAOYSA-N 1 0 316.779 3.221 50 0 DGAARO CC(C)[NH+](C[C@H](O)COC12CC3CC(CC(C3)C1)C2)C(C)C ZINC000012422047 431505579 /nfs/dbraw/zinc/50/55/79/431505579.db2.gz PKJIWVMCHKNWTF-NNGLDNROSA-N 1 0 309.494 3.452 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000012533964 431512482 /nfs/dbraw/zinc/51/24/82/431512482.db2.gz GYQVCUQXQXRHQQ-UHFFFAOYSA-N 1 0 322.412 3.175 50 0 DGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000013468066 431556889 /nfs/dbraw/zinc/55/68/89/431556889.db2.gz KPKHZUZWCXNNOG-UHFFFAOYSA-N 1 0 300.446 3.348 50 0 DGAARO COc1ccc2[nH]cc([C@H](O)C[N@H+]3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000013535295 431557037 /nfs/dbraw/zinc/55/70/37/431557037.db2.gz CAPKXBVTQCWBKD-FHSNZYRGSA-N 1 0 302.418 3.188 50 0 DGAARO Cc1[nH]c2ccc(C(=O)NC[C@H](C(C)C)[NH+](C)C)cc2c1C ZINC000012914728 431534270 /nfs/dbraw/zinc/53/42/70/431534270.db2.gz FEUKFDSXMPFZOP-QGZVFWFLSA-N 1 0 301.434 3.101 50 0 DGAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000013678517 431562602 /nfs/dbraw/zinc/56/26/02/431562602.db2.gz RPLRKGKDIWXNOO-UHFFFAOYSA-N 1 0 320.436 3.481 50 0 DGAARO COc1ccc(OCCCSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000012971430 431538198 /nfs/dbraw/zinc/53/81/98/431538198.db2.gz JRFUFLALEWPRFO-HZPDHXFCSA-N 1 0 320.458 3.468 50 0 DGAARO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1C ZINC000013011221 431544417 /nfs/dbraw/zinc/54/44/17/431544417.db2.gz ZCAIOTBRJGRGNR-INIZCTEOSA-N 1 0 302.443 3.398 50 0 DGAARO C[N@@H+](Cc1ccc(Cl)cc1)Cn1c2ccccc2nc1CO ZINC000013072892 431547700 /nfs/dbraw/zinc/54/77/00/431547700.db2.gz DMHRAWWBHFOMRP-UHFFFAOYSA-N 1 0 315.804 3.272 50 0 DGAARO CC[NH+]1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013326145 431551121 /nfs/dbraw/zinc/55/11/21/431551121.db2.gz BPEUBHYUPWHZCK-UHFFFAOYSA-N 1 0 315.244 3.136 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000013326208 431551514 /nfs/dbraw/zinc/55/15/14/431551514.db2.gz FZHPDAFTLCWXRY-UHFFFAOYSA-N 1 0 301.217 3.208 50 0 DGAARO CC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000013325962 431551965 /nfs/dbraw/zinc/55/19/65/431551965.db2.gz IFLSLVGASJBYBN-UHFFFAOYSA-N 1 0 301.217 3.208 50 0 DGAARO CC[NH+]1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000014523631 431593615 /nfs/dbraw/zinc/59/36/15/431593615.db2.gz CHZYCQXOSJLSOB-UHFFFAOYSA-N 1 0 322.452 3.497 50 0 DGAARO c1c2ccccc2oc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077470524 431596694 /nfs/dbraw/zinc/59/66/94/431596694.db2.gz AYEOIUJYODVKMM-KRWDZBQOSA-N 1 0 314.429 3.120 50 0 DGAARO Cc1ncccc1C(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014957084 431596938 /nfs/dbraw/zinc/59/69/38/431596938.db2.gz OCUXPRVOKLGQFD-INIZCTEOSA-N 1 0 315.461 3.307 50 0 DGAARO CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000014974709 431596968 /nfs/dbraw/zinc/59/69/68/431596968.db2.gz YNNLQVGXNBETBC-UHFFFAOYSA-N 1 0 321.380 3.378 50 0 DGAARO Fc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000014953432 431597183 /nfs/dbraw/zinc/59/71/83/431597183.db2.gz NOZDPRPWFZIFFG-UHFFFAOYSA-N 1 0 322.387 3.143 50 0 DGAARO CSCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccccc1F ZINC000014885999 431597675 /nfs/dbraw/zinc/59/76/75/431597675.db2.gz HGRVEQBWKIICPU-HNNXBMFYSA-N 1 0 324.465 3.050 50 0 DGAARO Cc1cc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1O ZINC000077485143 431599181 /nfs/dbraw/zinc/59/91/81/431599181.db2.gz VHSOEPMZZBTCPX-KRWDZBQOSA-N 1 0 316.445 3.181 50 0 DGAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000077505551 431603529 /nfs/dbraw/zinc/60/35/29/431603529.db2.gz QPMKYVVETOMHMD-CQSZACIVSA-N 1 0 312.816 3.360 50 0 DGAARO Cc1[nH]cnc1-c1nccn1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000077354248 431585512 /nfs/dbraw/zinc/58/55/12/431585512.db2.gz ATTJKKXPAAXFFX-CQSZACIVSA-N 1 0 311.389 3.012 50 0 DGAARO C[C@H](C1CCN(c2cc(C3CC3)ncn2)CC1)[NH+]1CCCC1 ZINC000077390778 431592014 /nfs/dbraw/zinc/59/20/14/431592014.db2.gz YRSBAPKFAHOULQ-CQSZACIVSA-N 1 0 300.450 3.055 50 0 DGAARO c1cn(-c2ccc(C[NH2+][C@@H]3CCOc4ccccc43)cc2)cn1 ZINC000025357545 431655217 /nfs/dbraw/zinc/65/52/17/431655217.db2.gz QLENFUGIZUSWJZ-GOSISDBHSA-N 1 0 305.381 3.486 50 0 DGAARO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000016662622 431612620 /nfs/dbraw/zinc/61/26/20/431612620.db2.gz LIWWTYQVLBYKQU-UHFFFAOYSA-N 1 0 324.424 3.104 50 0 DGAARO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)no1 ZINC000021835792 431633652 /nfs/dbraw/zinc/63/36/52/431633652.db2.gz AGBYJSJTRGZXFO-LBPRGKRZSA-N 1 0 320.418 3.003 50 0 DGAARO CN(Cc1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000026180541 431672477 /nfs/dbraw/zinc/67/24/77/431672477.db2.gz ZKIYRRZEZOOCIL-UHFFFAOYSA-N 1 0 303.450 3.137 50 0 DGAARO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccccc1)C2 ZINC000026896102 431681291 /nfs/dbraw/zinc/68/12/91/431681291.db2.gz JFLCCGFMLBSXBA-CALCHBBNSA-N 1 0 316.445 3.375 50 0 DGAARO C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC000078570631 431683251 /nfs/dbraw/zinc/68/32/51/431683251.db2.gz NIUIYONNBJSBMH-HYVNUMGLSA-N 1 0 306.494 3.439 50 0 DGAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000078553797 431683269 /nfs/dbraw/zinc/68/32/69/431683269.db2.gz JOWBTWZSJLEJGJ-CQSZACIVSA-N 1 0 306.207 3.258 50 0 DGAARO CC(=O)Nc1ccc(C[NH2+]CCOc2ccc(F)cc2F)cc1 ZINC000078604186 431687997 /nfs/dbraw/zinc/68/79/97/431687997.db2.gz DSIBUOKEUQJVKR-UHFFFAOYSA-N 1 0 320.339 3.092 50 0 DGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000027582226 431689951 /nfs/dbraw/zinc/68/99/51/431689951.db2.gz KHZBWPAWLTXRRG-HNNXBMFYSA-N 1 0 300.427 3.315 50 0 DGAARO Cc1ccoc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027606531 431693060 /nfs/dbraw/zinc/69/30/60/431693060.db2.gz SJZWKWSGJIQIBE-CYBMUJFWSA-N 1 0 304.415 3.216 50 0 DGAARO Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000078674140 431693721 /nfs/dbraw/zinc/69/37/21/431693721.db2.gz WYZJIDHTMBAFQK-KRWDZBQOSA-N 1 0 319.445 3.300 50 0 DGAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccs2)no1 ZINC000028634531 431707194 /nfs/dbraw/zinc/70/71/94/431707194.db2.gz VDNQPCANHUBOJA-LBPRGKRZSA-N 1 0 305.403 3.210 50 0 DGAARO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCCC1 ZINC000028707428 431708750 /nfs/dbraw/zinc/70/87/50/431708750.db2.gz MVYQESHHNJFKFD-UHFFFAOYSA-N 1 0 320.436 3.481 50 0 DGAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H]3CCc4ccccc43)nc12 ZINC000029486257 431725244 /nfs/dbraw/zinc/72/52/44/431725244.db2.gz PGNIVVMAVQDXIN-GOSISDBHSA-N 1 0 319.408 3.122 50 0 DGAARO C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030861795 431747547 /nfs/dbraw/zinc/74/75/47/431747547.db2.gz IRQHSWRXHFMUDT-OAHLLOKOSA-N 1 0 312.413 3.292 50 0 DGAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)on1)c1ccsc1 ZINC000031097311 431752930 /nfs/dbraw/zinc/75/29/30/431752930.db2.gz MQQVZAUXRNKKAS-ZDUSSCGKSA-N 1 0 322.434 3.249 50 0 DGAARO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccccc1 ZINC000031096609 431753529 /nfs/dbraw/zinc/75/35/29/431753529.db2.gz COJXJBCAWNSCOJ-UHFFFAOYSA-N 1 0 319.474 3.170 50 0 DGAARO CC[C@@H](CNC(=O)NC1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000031050186 431753773 /nfs/dbraw/zinc/75/37/73/431753773.db2.gz NOAQQSGYKOSLFL-SFHVURJKSA-N 1 0 315.461 3.065 50 0 DGAARO Cc1cc(NC(=O)CC[N@H+](Cc2ccccc2F)C2CC2)no1 ZINC000032759783 431790532 /nfs/dbraw/zinc/79/05/32/431790532.db2.gz VXCDEFVUXGDJMM-UHFFFAOYSA-N 1 0 317.364 3.115 50 0 DGAARO Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000032862774 431795540 /nfs/dbraw/zinc/79/55/40/431795540.db2.gz PNVBKIXSWZVTHP-GOSISDBHSA-N 1 0 311.429 3.097 50 0 DGAARO COc1ccc(C=O)cc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000032919316 431802256 /nfs/dbraw/zinc/80/22/56/431802256.db2.gz LNLGMNCUHXJLCY-KRWDZBQOSA-N 1 0 310.397 3.282 50 0 DGAARO C[C@@H]([NH3+])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000032199670 431775077 /nfs/dbraw/zinc/77/50/77/431775077.db2.gz SRVCPVNQBXHVIO-LLVKDONJSA-N 1 0 304.777 3.205 50 0 DGAARO C[C@H](CNC(=O)c1cc(-c2cccs2)on1)[NH+]1CCCCC1 ZINC000032594186 431784457 /nfs/dbraw/zinc/78/44/57/431784457.db2.gz ZQMOBRKCCCWXHY-GFCCVEGCSA-N 1 0 319.430 3.007 50 0 DGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2F)N1 ZINC000039404035 431855789 /nfs/dbraw/zinc/85/57/89/431855789.db2.gz UXQKKOKMZFJCIF-ZDUSSCGKSA-N 1 0 315.739 3.116 50 0 DGAARO COc1ccc(CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000040017926 431856017 /nfs/dbraw/zinc/85/60/17/431856017.db2.gz CVVRURBBWBZZJH-UHFFFAOYSA-N 1 0 310.441 3.368 50 0 DGAARO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000089319403 431863207 /nfs/dbraw/zinc/86/32/07/431863207.db2.gz RQTHZGCIUWMYQZ-ZWKOTPCHSA-N 1 0 312.388 3.173 50 0 DGAARO COc1ccc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)cc1 ZINC000089610792 431871958 /nfs/dbraw/zinc/87/19/58/431871958.db2.gz UGSGXWYQBGHMOI-CYBMUJFWSA-N 1 0 310.401 3.206 50 0 DGAARO CC(C)[NH+]1CCC(N(C)C(=O)C2(c3ccccc3)CCC2)CC1 ZINC000084597481 431829000 /nfs/dbraw/zinc/82/90/00/431829000.db2.gz XPHBMPZZVRUDEW-UHFFFAOYSA-N 1 0 314.473 3.440 50 0 DGAARO CCCn1c(C[NH2+]C[C@H]2CCCn3ccnc32)nc2ccccc21 ZINC000084760555 431833789 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ZINC000095080917 431921688 /nfs/dbraw/zinc/92/16/88/431921688.db2.gz VNZRBPYJNXWNTN-UHFFFAOYSA-N 1 0 321.346 3.423 50 0 DGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(F)cccc2F)C1 ZINC000048270437 431922580 /nfs/dbraw/zinc/92/25/80/431922580.db2.gz RXFCIXIOFMVBRA-BETUJISGSA-N 1 0 310.388 3.063 50 0 DGAARO c1c(-c2cccnc2)nnn1C1CC[NH+](CC2CCCC2)CC1 ZINC000048308329 431922752 /nfs/dbraw/zinc/92/27/52/431922752.db2.gz PUDKAOKVKOOWMS-UHFFFAOYSA-N 1 0 311.433 3.167 50 0 DGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000095354583 431923117 /nfs/dbraw/zinc/92/31/17/431923117.db2.gz IWQJXMXUFLVIKJ-CZUORRHYSA-N 1 0 306.837 3.286 50 0 DGAARO CC(C)[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1N(C)C ZINC000095358857 431923137 /nfs/dbraw/zinc/92/31/37/431923137.db2.gz OTHUGWFRBSACSJ-ZWKOTPCHSA-N 1 0 308.441 3.113 50 0 DGAARO Cc1cc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)ccc1F ZINC000048317772 431923195 /nfs/dbraw/zinc/92/31/95/431923195.db2.gz QCSJGBYVVQQVGD-CQSZACIVSA-N 1 0 321.440 3.055 50 0 DGAARO 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318.280 3.214 50 0 DGAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000195575953 432628002 /nfs/dbraw/zinc/62/80/02/432628002.db2.gz PMRZOBMWZYNEMI-YQVWRLOYSA-N 1 0 307.478 3.496 50 0 DGAARO c1ccc(C[NH+]2CCC(c3nc([C@@H]4CCCO4)no3)CC2)cc1 ZINC000274238518 432640907 /nfs/dbraw/zinc/64/09/07/432640907.db2.gz VWKXRNMMRVCHQH-INIZCTEOSA-N 1 0 313.401 3.301 50 0 DGAARO C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCOC(C)(C)C1 ZINC000215430090 432642029 /nfs/dbraw/zinc/64/20/29/432642029.db2.gz WSUDUQQPNBBLNG-LBPRGKRZSA-N 1 0 305.397 3.339 50 0 DGAARO C[C@H]1C[N@H+](Cc2cnn(-c3cccc(Cl)c3)c2)CCCO1 ZINC000215470730 432642411 /nfs/dbraw/zinc/64/24/11/432642411.db2.gz PEJFZUIQPXWMCJ-ZDUSSCGKSA-N 1 0 305.809 3.137 50 0 DGAARO CSc1ccccc1-c1ccc(CN2CC[NH+](C)CC2)cn1 ZINC000215449520 432642961 /nfs/dbraw/zinc/64/29/61/432642961.db2.gz UQKDGUOCTBXNBI-UHFFFAOYSA-N 1 0 313.470 3.218 50 0 DGAARO C[C@@H](c1ccncn1)N(C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215432744 432642987 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CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(O)(c3cccnc3)CC1)=CC2 ZINC000216386933 432649278 /nfs/dbraw/zinc/64/92/78/432649278.db2.gz CLSRVLHCSHQCDE-WMZOPIPTSA-N 1 0 312.457 3.357 50 0 DGAARO CCOc1ccc2nc(C[N@H+](C)C3CCOCC3)ccc2c1 ZINC000216387708 432649297 /nfs/dbraw/zinc/64/92/97/432649297.db2.gz REHSBACMKDKQII-UHFFFAOYSA-N 1 0 300.402 3.244 50 0 DGAARO COc1ccc2nc(C[N@@H+]3CCC[C@H]3C(C)(C)O)sc2c1 ZINC000187306744 432656487 /nfs/dbraw/zinc/65/64/87/432656487.db2.gz KUBAYLRLJNMNCM-AWEZNQCLSA-N 1 0 306.431 3.040 50 0 DGAARO O=C(N[C@H]1COc2ccccc21)C1([NH+]2CCCC2)CCCCC1 ZINC000219286281 432662726 /nfs/dbraw/zinc/66/27/26/432662726.db2.gz RMWMWGPWODCLCA-INIZCTEOSA-N 1 0 314.429 3.035 50 0 DGAARO O[C@@H](c1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccccc1 ZINC000221294624 432668059 /nfs/dbraw/zinc/66/80/59/432668059.db2.gz CJRVZMGZXYKTPQ-LJQANCHMSA-N 1 0 311.429 3.113 50 0 DGAARO Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000225827618 432699846 /nfs/dbraw/zinc/69/98/46/432699846.db2.gz 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C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000225454839 432691251 /nfs/dbraw/zinc/69/12/51/432691251.db2.gz TUDOQVCESJFDJO-NXEZZACHSA-N 1 0 318.314 3.044 50 0 DGAARO C[N@H+](CC1CCC1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189268055 432773703 /nfs/dbraw/zinc/77/37/03/432773703.db2.gz GUOCHOVYVKZVNE-KRWDZBQOSA-N 1 0 322.399 3.188 50 0 DGAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H](OCC)C(C)C)C[C@H]1C ZINC000241447041 432816607 /nfs/dbraw/zinc/81/66/07/432816607.db2.gz NQRYNJHIWQZHKE-TWMKSMIVSA-N 1 0 313.482 3.395 50 0 DGAARO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc(C2CC2)on1 ZINC000241707033 432816695 /nfs/dbraw/zinc/81/66/95/432816695.db2.gz QMCVQUSCETZUNV-OAHLLOKOSA-N 1 0 317.433 3.079 50 0 DGAARO CO[C@@H](C[NH2+][C@H](c1nnc2ccccn21)C(C)C)c1ccccc1 ZINC000242140891 432816857 /nfs/dbraw/zinc/81/68/57/432816857.db2.gz WQDWTIHJLBQEMM-WMZOPIPTSA-N 1 0 324.428 3.404 50 0 DGAARO Fc1cc(F)cc(NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000241630876 432817236 /nfs/dbraw/zinc/81/72/36/432817236.db2.gz 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c1cc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cs1 ZINC000012165781 660503826 /nfs/dbraw/zinc/50/38/26/660503826.db2.gz NJINCGNGGKTSNN-UHFFFAOYSA-N 1 0 310.426 3.065 50 0 DGAARO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](C(C)C)C3)C2=O)c1 ZINC000012440544 660595252 /nfs/dbraw/zinc/59/52/52/660595252.db2.gz YZKDMFNDNDGKOH-LJQANCHMSA-N 1 0 300.446 3.218 50 0 DGAARO Cn1cccc1CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000022135432 655607665 /nfs/dbraw/zinc/60/76/65/655607665.db2.gz PBIJOXCNLROIPW-UHFFFAOYSA-N 1 0 319.452 3.496 50 0 DGAARO COc1ccc(C[C@@H](C)[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022586771 655719817 /nfs/dbraw/zinc/71/98/17/655719817.db2.gz NLDOYJPJCWEZNB-GOSISDBHSA-N 1 0 324.468 3.444 50 0 DGAARO Cc1c(Cl)cccc1-c1nc(C2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000023145831 655802260 /nfs/dbraw/zinc/80/22/60/655802260.db2.gz QMMVHVUDBZLASE-UHFFFAOYSA-N 1 0 317.820 3.208 50 0 DGAARO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2ccccc2c1O ZINC000174535865 655956789 /nfs/dbraw/zinc/95/67/89/655956789.db2.gz MBQYHPYJBRYEDM-HNNXBMFYSA-N 1 0 312.413 3.102 50 0 DGAARO OCC[C@@H]1CN(CCCC2CCCC2)CC[N@@H+]1C1CCCC1 ZINC000019794641 656066150 /nfs/dbraw/zinc/06/61/50/656066150.db2.gz BLLOSTDKSPAXKI-LJQANCHMSA-N 1 0 308.510 3.268 50 0 DGAARO Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)c2cccnc12 ZINC000195327395 656211698 /nfs/dbraw/zinc/21/16/98/656211698.db2.gz GJYSBUCLSOWZLQ-UHFFFAOYSA-N 1 0 309.413 3.356 50 0 DGAARO C[C@@H](C[NH+]1CCCCCC1)NCc1nncn1C1CCCCC1 ZINC000067788657 658676818 /nfs/dbraw/zinc/67/68/18/658676818.db2.gz IMFUHTUGEWGGNL-INIZCTEOSA-N 1 0 319.497 3.137 50 0 DGAARO FC(F)Oc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000020386666 658712107 /nfs/dbraw/zinc/71/21/07/658712107.db2.gz JTXYPIMFTKYHEA-CQSZACIVSA-N 1 0 305.324 3.381 50 0 DGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnc(-c2ccco2)s1 ZINC000171530079 659285362 /nfs/dbraw/zinc/28/53/62/659285362.db2.gz INFYOGYSVORPRQ-LBPRGKRZSA-N 1 0 319.430 3.007 50 0 DGAARO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000171543580 659287214 /nfs/dbraw/zinc/28/72/14/659287214.db2.gz HRNLUWKPRQTTML-GFCCVEGCSA-N 1 0 317.458 3.356 50 0 DGAARO C[N@@H+]1CC[C@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000082127007 662176932 /nfs/dbraw/zinc/17/69/32/662176932.db2.gz VSHGFLUMFCXZIU-HNNXBMFYSA-N 1 0 321.380 3.487 50 0 DGAARO C[N@@H+]1CC[C@@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000082127009 662177130 /nfs/dbraw/zinc/17/71/30/662177130.db2.gz VSHGFLUMFCXZIU-OAHLLOKOSA-N 1 0 321.380 3.487 50 0 DGAARO C[C@@H]([NH2+]C1CSCCSC1)c1ccccc1-n1cccn1 ZINC000952972354 662209310 /nfs/dbraw/zinc/20/93/10/662209310.db2.gz FDPKSHHOBCQNOT-CYBMUJFWSA-N 1 0 319.499 3.372 50 0 DGAARO COc1ncc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(C)ccc32)cn1 ZINC000952972167 662209317 /nfs/dbraw/zinc/20/93/17/662209317.db2.gz FPEUAFXWPVMGJX-OAHLLOKOSA-N 1 0 313.401 3.186 50 0 DGAARO Cc1ccc(OC2CN(CC(C)(C)C[NH+]3CCCC3)C2)cc1 ZINC000952972155 662209493 /nfs/dbraw/zinc/20/94/93/662209493.db2.gz DLIYYXZURMBTJC-UHFFFAOYSA-N 1 0 302.462 3.180 50 0 DGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1ccc2c(c1)CCCC2 ZINC000952974902 662209976 /nfs/dbraw/zinc/20/99/76/662209976.db2.gz NQDOPJHCTJQWJA-SFHVURJKSA-N 1 0 300.446 3.056 50 0 DGAARO O=C(NCCCC[NH+]1CCCCCC1)NCCc1ccccc1 ZINC000952985549 662210374 /nfs/dbraw/zinc/21/03/74/662210374.db2.gz CFRNNELQRAARNJ-UHFFFAOYSA-N 1 0 317.477 3.185 50 0 DGAARO CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)n1cccn1 ZINC000952986428 662210380 /nfs/dbraw/zinc/21/03/80/662210380.db2.gz FPJGFDCWIIALAT-KRWDZBQOSA-N 1 0 312.417 3.069 50 0 DGAARO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000011841660 685046816 /nfs/dbraw/zinc/04/68/16/685046816.db2.gz DMVZEYUWGBKASK-GOSISDBHSA-N 1 0 312.388 3.025 50 0 DGAARO Cc1cc(F)ccc1N1CCC([NH2+]CCc2cccnc2)CC1 ZINC001506397697 1186221606 /nfs/dbraw/zinc/22/16/06/1186221606.db2.gz XYAXRKNOKZEQPJ-UHFFFAOYSA-N 1 0 313.420 3.330 50 0 DGAARO CN(CC[NH+]1CCCCCC1)[C@@H]1CCN(c2ccccc2)C1 ZINC001506400511 1186221950 /nfs/dbraw/zinc/22/19/50/1186221950.db2.gz JXGVZWSSMREVRH-LJQANCHMSA-N 1 0 301.478 3.073 50 0 DGAARO Cn1ccnc1CC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001506413808 1186223859 /nfs/dbraw/zinc/22/38/59/1186223859.db2.gz LLBQGQISFNXWTM-HNNXBMFYSA-N 1 0 303.837 3.496 50 0 DGAARO COc1c(C)cc(C)cc1C[NH2+]CCCc1csc(N)n1 ZINC001506420232 1186225090 /nfs/dbraw/zinc/22/50/90/1186225090.db2.gz ZCDJXYWNOWAVAE-UHFFFAOYSA-N 1 0 305.447 3.073 50 0 DGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccnn1C1CCCC1 ZINC001506421904 1186226769 /nfs/dbraw/zinc/22/67/69/1186226769.db2.gz NETGMGNIYMSJMY-CQSZACIVSA-N 1 0 304.438 3.201 50 0 DGAARO CC[C@@H]([NH2+]C1CCN(c2ccc(C)cc2)CC1)c1nc(C)no1 ZINC001506421363 1186227035 /nfs/dbraw/zinc/22/70/35/1186227035.db2.gz FOGVMOOEEILZNG-QGZVFWFLSA-N 1 0 314.433 3.396 50 0 DGAARO Cc1c(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)cnn1C ZINC001529099987 1187532409 /nfs/dbraw/zinc/53/24/09/1187532409.db2.gz KSSSGDASHKVQNV-MOPGFXCFSA-N 1 0 313.445 3.327 50 0 DGAARO Cc1cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H]([NH+](C)C)C[C@@H]3C2)c(C)o1 ZINC001529139955 1187535551 /nfs/dbraw/zinc/53/55/51/1187535551.db2.gz ZIUNGSPBBLKZAM-GEEKYZPCSA-N 1 0 304.434 3.087 50 0 DGAARO Oc1ccc(CC[NH+]2CCC([C@H](O)c3cccs3)CC2)cc1 ZINC001529153122 1187536691 /nfs/dbraw/zinc/53/66/91/1187536691.db2.gz QJXPAOROJVOXRS-SFHVURJKSA-N 1 0 317.454 3.442 50 0 DGAARO Cc1ccc(N2CCC([NH+]3CC(c4ccccn4)C3)CC2)cc1 ZINC001529147370 1187536785 /nfs/dbraw/zinc/53/67/85/1187536785.db2.gz YCXOVIJMSCSAQU-UHFFFAOYSA-N 1 0 307.441 3.458 50 0 DGAARO O[C@@H]1C[N@@H+](C2CCCCC2)C[C@H]1Cc1ccnc2ccccc12 ZINC001529185854 1187540053 /nfs/dbraw/zinc/54/00/53/1187540053.db2.gz RCOLSBKGDWYNSU-OXQOHEQNSA-N 1 0 310.441 3.403 50 0 DGAARO CC1=CC2(CC[NH+](C[C@H]3COc4ccccc4O3)CC2)OCC1 ZINC001704298796 1202519408 /nfs/dbraw/zinc/51/94/08/1202519408.db2.gz JWKNMSRWPXEURY-INIZCTEOSA-N 1 0 315.413 3.028 50 0 DGAARO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[C@H]3O)C2)cc1OC ZINC001704298666 1202519444 /nfs/dbraw/zinc/51/94/44/1202519444.db2.gz KPNQFMCJJGQUCQ-RTBURBONSA-N 1 0 319.445 3.221 50 0 DGAARO C[C@]1(O)CCOC2(CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC001704313246 1202520378 /nfs/dbraw/zinc/52/03/78/1202520378.db2.gz IYYFXBKIYRFPLY-DCKQQPRJSA-N 1 0 319.420 3.235 50 0 DGAARO