smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000426369942 231209027 /nfs/dbraw/zinc/20/90/27/231209027.db2.gz MZVBLRUWKBXPAF-LJQANCHMSA-N 2 0 384.568 3.167 50 0 GGAARP CC1(C)CC(N2CCC(=O)N(C3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC(C)(C)[NH2+]1 ZINC000004872760 204084734 /nfs/dbraw/zinc/08/47/34/204084734.db2.gz HXYMPEFUVKOMEX-UHFFFAOYSA-N 2 0 378.605 3.097 50 0 GGAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc[nH]2)C[C@H]2CCCO2)CC1 ZINC000011661371 204347832 /nfs/dbraw/zinc/34/78/32/204347832.db2.gz OBKQBYHQGTVHHL-OAQYLSRUSA-N 2 0 386.515 3.442 50 0 GGAARP Cc1cccc(C[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)c1 ZINC000011816526 204354059 /nfs/dbraw/zinc/35/40/59/204354059.db2.gz FWUIQWZSVJVLGZ-OAQYLSRUSA-N 2 0 386.561 3.073 50 0 GGAARP Cc1ccccc1C[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000011839658 204356043 /nfs/dbraw/zinc/35/60/43/204356043.db2.gz TUAOBCRSJLHLDA-OAQYLSRUSA-N 2 0 386.561 3.073 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011997842 204366490 /nfs/dbraw/zinc/36/64/90/204366490.db2.gz NCBSEBNKWQPEOA-OAQYLSRUSA-N 2 0 386.536 3.373 50 0 GGAARP CCOCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012052604 204368222 /nfs/dbraw/zinc/36/82/22/204368222.db2.gz VZHJYXDIACOAJT-NRFANRHFSA-N 2 0 378.557 3.207 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CC2CCCCC2)cc1OC ZINC000012194574 204380954 /nfs/dbraw/zinc/38/09/54/204380954.db2.gz QAVCHQUDILLAOG-HXUWFJFHSA-N 2 0 378.557 3.447 50 0 GGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1cccnc1)C1CCCCC1 ZINC000012205424 204382436 /nfs/dbraw/zinc/38/24/36/204382436.db2.gz HWBLTWUAFKBBDG-HSZRJFAPSA-N 2 0 397.563 3.418 50 0 GGAARP O=C(NC[C@H]1CCC[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1)c1cccnc1 ZINC000012201670 204382548 /nfs/dbraw/zinc/38/25/48/204382548.db2.gz XNKSGCMOXJRGTC-GOSISDBHSA-N 2 0 398.576 3.381 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012210468 204384594 /nfs/dbraw/zinc/38/45/94/204384594.db2.gz HEIGSLIIMUVORG-SFHVURJKSA-N 2 0 392.565 3.435 50 0 GGAARP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000012302067 204390607 /nfs/dbraw/zinc/39/06/07/204390607.db2.gz RRYKISZPMPCJHC-LJQANCHMSA-N 2 0 384.568 3.207 50 0 GGAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000012297317 204391836 /nfs/dbraw/zinc/39/18/36/204391836.db2.gz XDEBFMTYUAKLPR-HSZRJFAPSA-N 2 0 391.515 3.243 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000012316997 204395790 /nfs/dbraw/zinc/39/57/90/204395790.db2.gz KXGNTTWTSLCGNB-IBGZPJMESA-N 2 0 397.567 3.156 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC ZINC000012316089 204396550 /nfs/dbraw/zinc/39/65/50/204396550.db2.gz QYLOPIJTEBBMFZ-SFHVURJKSA-N 2 0 392.565 3.436 50 0 GGAARP COc1ccc(C[NH2+]CCc2ccccc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012715463 204437132 /nfs/dbraw/zinc/43/71/32/204437132.db2.gz QNKLNDXFLURJKT-JOCHJYFZSA-N 2 0 398.547 3.253 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]C2Cc3ccccc3C2)ccc1OC ZINC000015079581 204561257 /nfs/dbraw/zinc/56/12/57/204561257.db2.gz XIGUZUHLTWIMSS-QFIPXVFZSA-N 2 0 398.547 3.034 50 0 GGAARP Cc1ccc(N2C(=O)C[C@H]([NH2+]CC3CC[NH+](Cc4cccs4)CC3)C2=O)cc1 ZINC000018220195 204620270 /nfs/dbraw/zinc/62/02/70/204620270.db2.gz NFVRFWTVWBNJJY-FQEVSTJZSA-N 2 0 397.544 3.190 50 0 GGAARP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057169150 205154375 /nfs/dbraw/zinc/15/43/75/205154375.db2.gz WLHZYBNGXXBXLO-UHFFFAOYSA-N 2 0 391.559 3.463 50 0 GGAARP Cc1c[nH+]ccc1N1CCC[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000067490665 205248773 /nfs/dbraw/zinc/24/87/73/205248773.db2.gz VTIKXWSDWUXNMQ-UHFFFAOYSA-N 2 0 378.520 3.207 50 0 GGAARP C[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000067603797 205251496 /nfs/dbraw/zinc/25/14/96/205251496.db2.gz AWFIKCRXICAFHV-UHFFFAOYSA-N 2 0 392.547 3.289 50 0 GGAARP CC(C)=CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071388568 205284412 /nfs/dbraw/zinc/28/44/12/205284412.db2.gz VRVQVDRLULAAAE-FQEVSTJZSA-N 2 0 384.568 3.231 50 0 GGAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1)N1CCCC1 ZINC000071712238 205287919 /nfs/dbraw/zinc/28/79/19/205287919.db2.gz WNNWJMNFRCRJKE-JOCHJYFZSA-N 2 0 383.580 3.418 50 0 GGAARP CCN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)C1CC1 ZINC000071776929 205297466 /nfs/dbraw/zinc/29/74/66/205297466.db2.gz YHHMSOARZQCYNN-OAQYLSRUSA-N 2 0 395.591 3.341 50 0 GGAARP C[NH+]1CCC(Oc2ccccc2NC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000072156173 205313074 /nfs/dbraw/zinc/31/30/74/205313074.db2.gz ABTBKZXAYNDXMM-QGZVFWFLSA-N 2 0 379.504 3.489 50 0 GGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000072163564 205315752 /nfs/dbraw/zinc/31/57/52/205315752.db2.gz PNPFFFYDXCQFLK-SBHAEUEKSA-N 2 0 378.582 3.396 50 0 GGAARP CC(C)C[N@H+](C)CCN1CC2(CC[NH+](Cc3cccc(F)c3)CC2)OC1=O ZINC000072473561 205354308 /nfs/dbraw/zinc/35/43/08/205354308.db2.gz WYDOJQCQSCEPPG-UHFFFAOYSA-N 2 0 377.504 3.200 50 0 GGAARP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000079478955 205382193 /nfs/dbraw/zinc/38/21/93/205382193.db2.gz GICYDVWKBALANL-FQEVSTJZSA-N 2 0 395.547 3.456 50 0 GGAARP Cc1c2cc(C)ccc2[nH]c1C[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000012073440 221146769 /nfs/dbraw/zinc/14/67/69/221146769.db2.gz SMMSZWNAPOJSGF-UHFFFAOYSA-N 2 0 384.568 3.455 50 0 GGAARP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1)c1nc(C)c[nH]1 ZINC000095509971 136180432 /nfs/dbraw/zinc/18/04/32/136180432.db2.gz JQPFDADLWCKRTF-SFHVURJKSA-N 2 0 383.544 3.126 50 0 GGAARP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1)c1nc(C)c[nH]1 ZINC000095509972 136180505 /nfs/dbraw/zinc/18/05/05/136180505.db2.gz JQPFDADLWCKRTF-GOSISDBHSA-N 2 0 383.544 3.126 50 0 GGAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3C4CC5CC(C4)CC3C5)C[C@@H]2CCO)CC1 ZINC000096441180 570229301 /nfs/dbraw/zinc/22/93/01/570229301.db2.gz JAGMYHSSYJFMMU-WFGSETELSA-N 2 0 389.628 3.053 50 0 GGAARP Cc1ccc(C[NH+]2CCC3(CC2)CC[N@@H+](C2CCOCC2)C[C@@H]3CO)s1 ZINC000097294845 570241159 /nfs/dbraw/zinc/24/11/59/570241159.db2.gz NHUKUOFJOGTQBJ-GOSISDBHSA-N 2 0 378.582 3.132 50 0 GGAARP OC[C@@H]1C[N@H+](Cc2cccnc2)CCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000097360070 570242853 /nfs/dbraw/zinc/24/28/53/570242853.db2.gz ZMDQTMSCVQZIIH-NRFANRHFSA-N 2 0 383.511 3.317 50 0 GGAARP OC[C@@H]1C[N@H+](Cc2ccc(Cl)o2)CCC12CC[NH+](C1CCOCC1)CC2 ZINC000097437012 570243864 /nfs/dbraw/zinc/24/38/64/570243864.db2.gz SFFPGFHGOBNTSU-INIZCTEOSA-N 2 0 382.932 3.008 50 0 GGAARP CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020209676 570248145 /nfs/dbraw/zinc/24/81/45/570248145.db2.gz NYANWAWWQJLGTA-FQEVSTJZSA-N 2 0 383.580 3.245 50 0 GGAARP CCCn1ncc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)c1C ZINC000020232291 570249503 /nfs/dbraw/zinc/24/95/03/570249503.db2.gz XIFCIPDUMIJPJH-UHFFFAOYSA-N 2 0 399.583 3.357 50 0 GGAARP CC(C)CC[N@@H+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1CCO ZINC000104629241 570260179 /nfs/dbraw/zinc/26/01/79/570260179.db2.gz UMKAKLZTCBLTPF-XMMPIXPASA-N 2 0 387.612 3.108 50 0 GGAARP Cc1ccc(C)c(OCC[N@@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000020600898 570269932 /nfs/dbraw/zinc/26/99/32/570269932.db2.gz BHGGPYJYFSHSLT-PKTZIBPZSA-N 2 0 380.532 3.351 50 0 GGAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(C4CCCC4)s3)C[C@@H]2CCO)CC1 ZINC000020907810 570284073 /nfs/dbraw/zinc/28/40/73/570284073.db2.gz XIJFFEJSVYMXAV-FQEVSTJZSA-N 2 0 391.625 3.369 50 0 GGAARP C[N@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000102389723 570288985 /nfs/dbraw/zinc/28/89/85/570288985.db2.gz UZRQKTFGGLTYDX-AERCQKQUSA-N 3 0 395.513 3.357 50 0 GGAARP CCOC(=O)N1CCC([N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)CC1 ZINC000012372795 570648073 /nfs/dbraw/zinc/64/80/73/570648073.db2.gz RCORGCYKLBZNJS-UHFFFAOYSA-N 2 0 377.529 3.353 50 0 GGAARP C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)C1 ZINC000012373238 570648778 /nfs/dbraw/zinc/64/87/78/570648778.db2.gz UINDBBLELPTNRL-HXUWFJFHSA-N 2 0 385.552 3.249 50 0 GGAARP CC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012440909 570664414 /nfs/dbraw/zinc/66/44/14/570664414.db2.gz IKACTZRJXREWJK-HNNXBMFYSA-N 2 0 381.948 3.273 50 0 GGAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccco2)C1 ZINC000012459583 570670658 /nfs/dbraw/zinc/67/06/58/570670658.db2.gz OCESGUICDMNVLH-LJQANCHMSA-N 2 0 399.535 3.204 50 0 GGAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccco2)C1 ZINC000012459584 570670773 /nfs/dbraw/zinc/67/07/73/570670773.db2.gz OCESGUICDMNVLH-IBGZPJMESA-N 2 0 399.535 3.204 50 0 GGAARP CCCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000012465600 570671579 /nfs/dbraw/zinc/67/15/79/570671579.db2.gz VGFCMMZZEZPTBP-NRFANRHFSA-N 2 0 383.580 3.247 50 0 GGAARP C[C@H](COc1ccccc1)[N@@H+]1CCOc2ccc(C[NH+]3CCC(O)CC3)cc2C1 ZINC000014997642 570870695 /nfs/dbraw/zinc/87/06/95/570870695.db2.gz RQARAWSOBRPRLV-LJQANCHMSA-N 2 0 396.531 3.305 50 0 GGAARP C[C@@H](CC1CC1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000015069261 570876617 /nfs/dbraw/zinc/87/66/17/570876617.db2.gz AXFFZEYPZSOAKV-SFHVURJKSA-N 2 0 387.568 3.352 50 0 GGAARP C[C@H](CC1CC1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000015069263 570876710 /nfs/dbraw/zinc/87/67/10/570876710.db2.gz AXFFZEYPZSOAKV-GOSISDBHSA-N 2 0 387.568 3.352 50 0 GGAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OCc1cccnc1 ZINC000015106095 570881192 /nfs/dbraw/zinc/88/11/92/570881192.db2.gz PLBIOBMSMZOIPW-UHFFFAOYSA-N 2 0 375.900 3.412 50 0 GGAARP Cn1cc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000019224443 570964082 /nfs/dbraw/zinc/96/40/82/570964082.db2.gz SRKUVUXTFZJBJM-NRFANRHFSA-N 2 0 387.616 3.363 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2cccc(F)c2)ccc1OC ZINC000012712612 570967484 /nfs/dbraw/zinc/96/74/84/570967484.db2.gz NGUIZGTWLCFWIF-HXUWFJFHSA-N 2 0 390.499 3.206 50 0 GGAARP Cc1cc(C)c2[nH]c(C[N@H+]3CCCC[C@H]3CCN3CC[NH+](C)CC3)cc(=O)c2c1 ZINC000091626424 571020296 /nfs/dbraw/zinc/02/02/96/571020296.db2.gz NCJXOKKMPJJEII-NRFANRHFSA-N 2 0 396.579 3.137 50 0 GGAARP C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CC[NH+](Cc2ccccc2Cl)CC3)C1 ZINC000091914898 571036258 /nfs/dbraw/zinc/03/62/58/571036258.db2.gz MFMJQKPIYLKHLY-SFHVURJKSA-N 2 0 375.944 3.249 50 0 GGAARP C[NH+](C)CCCN1CC2(CCC1=O)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000095352244 571050210 /nfs/dbraw/zinc/05/02/10/571050210.db2.gz WROJUASQVDPZPR-UHFFFAOYSA-N 2 0 382.552 3.324 50 0 GGAARP Cc1c[nH+]ccc1N1CCCN(C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000095362647 571056610 /nfs/dbraw/zinc/05/66/10/571056610.db2.gz OIUDIIHDNHYPMI-NRFANRHFSA-N 2 0 378.520 3.210 50 0 GGAARP COc1ccc(/C=C/C[NH+]2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)cc1 ZINC000095500499 571076111 /nfs/dbraw/zinc/07/61/11/571076111.db2.gz IPJUIBJDUIRYTB-YEFOHOTDSA-N 2 0 397.563 3.117 50 0 GGAARP O[C@@H](COc1cccc(C[NH+]2CCC(F)CC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095510078 571081496 /nfs/dbraw/zinc/08/14/96/571081496.db2.gz SQSMICTUQJFAIW-HSZRJFAPSA-N 2 0 398.522 3.419 50 0 GGAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](CC3CCC3)CC2)c(Cl)c1 ZINC000095510545 571082068 /nfs/dbraw/zinc/08/20/68/571082068.db2.gz QGOYMPVFHQWJPZ-UHFFFAOYSA-N 2 0 393.959 3.275 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH+]2CCC(C)(C)CC2)ccc1OC ZINC000095516892 571084284 /nfs/dbraw/zinc/08/42/84/571084284.db2.gz OQWKAJTZXDWUAQ-IBGZPJMESA-N 2 0 378.557 3.399 50 0 GGAARP COc1cc(C[N@H+](C)C2CCSCC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095522180 571087613 /nfs/dbraw/zinc/08/76/13/571087613.db2.gz SZLSEUMAEQQLFG-LJQANCHMSA-N 2 0 396.597 3.103 50 0 GGAARP COc1ccc(C[N@H+](C)Cc2ccsc2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095522438 571088139 /nfs/dbraw/zinc/08/81/39/571088139.db2.gz WIWKVNRJQDFQHQ-IBGZPJMESA-N 2 0 390.549 3.224 50 0 GGAARP O[C@@H](COc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095524589 571089727 /nfs/dbraw/zinc/08/97/27/571089727.db2.gz YLILJOKUPHZXFS-OAQYLSRUSA-N 2 0 388.552 3.057 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cc[nH]c1 ZINC000095524056 571089759 /nfs/dbraw/zinc/08/97/59/571089759.db2.gz HPZNIKKZOWTSIF-SFHVURJKSA-N 2 0 386.515 3.070 50 0 GGAARP COc1ccc(C[NH+]2CCC(C)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095525868 571090686 /nfs/dbraw/zinc/09/06/86/571090686.db2.gz PIKJILFXYHDWOI-FQEVSTJZSA-N 2 0 376.541 3.153 50 0 GGAARP C[NH+](Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1)C1CCOCC1 ZINC000095528901 571092026 /nfs/dbraw/zinc/09/20/26/571092026.db2.gz DQZHNZHFVAJOQJ-HSZRJFAPSA-N 2 0 398.547 3.169 50 0 GGAARP COc1ccc(C[N@H+](C)C2CCSCC2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095529216 571092458 /nfs/dbraw/zinc/09/24/58/571092458.db2.gz MIBMRWRHAOUHBO-IBGZPJMESA-N 2 0 396.597 3.103 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccccn1 ZINC000095530642 571092705 /nfs/dbraw/zinc/09/27/05/571092705.db2.gz AIXUYKQWWKLMOJ-LJQANCHMSA-N 2 0 398.526 3.137 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccccn1 ZINC000095530643 571092793 /nfs/dbraw/zinc/09/27/93/571092793.db2.gz AIXUYKQWWKLMOJ-IBGZPJMESA-N 2 0 398.526 3.137 50 0 GGAARP CSc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cn1 ZINC000011820853 1399014096 /nfs/dbraw/zinc/01/40/96/1399014096.db2.gz BMYLRMWZUYBKHL-HXUWFJFHSA-N 2 0 383.565 3.328 50 0 GGAARP COC1CC[NH+](Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)CC1 ZINC000012002251 1399023674 /nfs/dbraw/zinc/02/36/74/1399023674.db2.gz KRUBIYVZMVERSA-OAQYLSRUSA-N 2 0 390.568 3.302 50 0 GGAARP CSCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012092682 1399028222 /nfs/dbraw/zinc/02/82/22/1399028222.db2.gz KLKIRGZTNMMSMN-IBGZPJMESA-N 2 0 381.630 3.319 50 0 GGAARP CCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)o1 ZINC000012112012 1399030129 /nfs/dbraw/zinc/03/01/29/1399030129.db2.gz QJSIBTGBQYOQAE-GOSISDBHSA-N 2 0 375.557 3.387 50 0 GGAARP O[C@H](COc1ccccc1C[NH2+]C1Cc2ccccc2C1)C[NH+]1CCCCC1 ZINC000012313790 1399038255 /nfs/dbraw/zinc/03/82/55/1399038255.db2.gz ASURUSIVBWIDSZ-QHCPKHFHSA-N 2 0 380.532 3.169 50 0 GGAARP CCOc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](CCOC)CC1 ZINC000012576754 1399048220 /nfs/dbraw/zinc/04/82/20/1399048220.db2.gz IDRQWFLOSMKSLS-JOCHJYFZSA-N 2 0 390.568 3.425 50 0 GGAARP C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4cc5ccccc5o4)[N@@H+]4CCC[C@@]34C2=O)CC1 ZINC000012597849 1399049662 /nfs/dbraw/zinc/04/96/62/1399049662.db2.gz DEUYYKSDHRMXSV-LTMIRXACSA-N 2 0 379.504 3.265 50 0 GGAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012594062 1399049859 /nfs/dbraw/zinc/04/98/59/1399049859.db2.gz KMWOIERZACKHFN-NRFANRHFSA-N 2 0 384.520 3.129 50 0 GGAARP COC1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000012713363 1399055779 /nfs/dbraw/zinc/05/57/79/1399055779.db2.gz RJMLYXDNXPNUDV-NRFANRHFSA-N 2 0 390.568 3.302 50 0 GGAARP CCn1cc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000014958368 1399128674 /nfs/dbraw/zinc/12/86/74/1399128674.db2.gz JAFJEBOQDVXZJM-UHFFFAOYSA-N 2 0 388.531 3.403 50 0 GGAARP COc1cc(C[NH2+]C2CCC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014956849 1399128906 /nfs/dbraw/zinc/12/89/06/1399128906.db2.gz PNLSMELPICNFSN-HXUWFJFHSA-N 2 0 376.541 3.343 50 0 GGAARP O[C@@H](COc1ccc(C[NH+]2CCCCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000014966140 1399129574 /nfs/dbraw/zinc/12/95/74/1399129574.db2.gz NQUQJHOLYFIEMP-HSZRJFAPSA-N 2 0 380.532 3.471 50 0 GGAARP O[C@H](COc1ccc(C[NH+]2CCCCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000014966145 1399129675 /nfs/dbraw/zinc/12/96/75/1399129675.db2.gz NQUQJHOLYFIEMP-QHCPKHFHSA-N 2 0 380.532 3.471 50 0 GGAARP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000014980437 1399129816 /nfs/dbraw/zinc/12/98/16/1399129816.db2.gz QAWLUHYNTQPHMK-JOCHJYFZSA-N 2 0 389.559 3.413 50 0 GGAARP Cc1cc(C)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCC[N@@H+](C)CC3)CC2)cc1C ZINC000014988712 1399130343 /nfs/dbraw/zinc/13/03/43/1399130343.db2.gz HRFUHVJNEGRZEY-QFIPXVFZSA-N 2 0 383.580 3.378 50 0 GGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CC1CCOCC1)C1CCCCC1 ZINC000015069186 1399135588 /nfs/dbraw/zinc/13/55/88/1399135588.db2.gz CFQRLVALUDTLMN-QFIPXVFZSA-N 2 0 390.568 3.207 50 0 GGAARP O[C@@H](COc1ccccc1C[NH2+]CCc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000015076339 1399136615 /nfs/dbraw/zinc/13/66/15/1399136615.db2.gz VEMQUDKAVVNAOR-JOCHJYFZSA-N 2 0 386.511 3.384 50 0 GGAARP Cc1ncc2c(c1-c1noc([C@@H]3CCC[N@H+](Cc4ccco4)C3)n1)CC[NH2+]C2 ZINC000019301116 1399329155 /nfs/dbraw/zinc/32/91/55/1399329155.db2.gz BNGWONYIOPJRRB-OAHLLOKOSA-N 2 0 379.464 3.058 50 0 GGAARP Cn1cccc1C[NH+]1CCC2(CC1)c1ccccc1[C@@H]([N@H+]1CC=CCC1)[C@@H]2O ZINC000020450107 1399346476 /nfs/dbraw/zinc/34/64/76/1399346476.db2.gz VXHGQRKESPGLGM-PKTZIBPZSA-N 2 0 377.532 3.236 50 0 GGAARP O[C@H](COc1ccccc1C[N@@H+]1CCc2ccccc2C1)C[NH+]1CCSCC1 ZINC000020598741 1399349278 /nfs/dbraw/zinc/34/92/78/1399349278.db2.gz VVSIIOHASYGDEN-QFIPXVFZSA-N 2 0 398.572 3.033 50 0 GGAARP CCC[N@H+](Cc1cccc(-c2nc(CC[NH3+])cc(=O)[nH]2)c1)Cc1ccccn1 ZINC000023231842 1399542361 /nfs/dbraw/zinc/54/23/61/1399542361.db2.gz RMULDQPSQFVVKP-UHFFFAOYSA-N 2 0 377.492 3.158 50 0 GGAARP CCC[N@H+](CCc1ccccc1)Cc1cccc(-c2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000023337287 1399550211 /nfs/dbraw/zinc/55/02/11/1399550211.db2.gz RLXROFVURWUQGH-UHFFFAOYSA-N 2 0 376.504 3.350 50 0 GGAARP CC(C)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@H]1CCO ZINC000104533838 1410899131 /nfs/dbraw/zinc/89/91/31/1410899131.db2.gz QVTBXNXASSAIRN-LJQANCHMSA-N 2 0 379.614 3.259 50 0 GGAARP COc1c2c(cc3c1[C@H](Cc1cc(=[NH2+])c4ccccc4n1C)[N@H+](C)CC3)OCO2 ZINC000334157014 206252071 /nfs/dbraw/zinc/25/20/71/206252071.db2.gz XEPPVVCGCAFDLT-IBGZPJMESA-N 2 0 391.471 3.167 50 0 biogenic GGAARP COc1c2c(cc3c1[C@@H](Cc1cc(=[NH2+])c4ccccc4n1C)[N@H+](C)CC3)OCO2 ZINC000334157015 206252739 /nfs/dbraw/zinc/25/27/39/206252739.db2.gz XEPPVVCGCAFDLT-LJQANCHMSA-N 2 0 391.471 3.167 50 0 biogenic GGAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000012206541 206869327 /nfs/dbraw/zinc/86/93/27/206869327.db2.gz XSOZHRYPSFWOGF-UHFFFAOYSA-N 2 0 398.595 3.455 50 0 GGAARP CC(C)=CC[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012474261 206903799 /nfs/dbraw/zinc/90/37/99/206903799.db2.gz NTZSEUORHVKIFQ-UHFFFAOYSA-N 2 0 393.959 3.441 50 0 GGAARP COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000014948024 207033141 /nfs/dbraw/zinc/03/31/41/207033141.db2.gz YVPWTPUYGUCKGW-QFIPXVFZSA-N 2 0 398.547 3.333 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2ccccc2)cc1OC ZINC000015073839 207045061 /nfs/dbraw/zinc/04/50/61/207045061.db2.gz QYUARMILAOAQPB-NRFANRHFSA-N 2 0 386.536 3.109 50 0 GGAARP COc1ccc(C[NH2+]CC2CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000015072578 207044075 /nfs/dbraw/zinc/04/40/75/207044075.db2.gz YMBBXGALHPJVBB-OAQYLSRUSA-N 2 0 384.520 3.067 50 0 GGAARP CC(C)CC[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCC3)s2)C[C@@H]1CCO ZINC000019744284 207157621 /nfs/dbraw/zinc/15/76/21/207157621.db2.gz RBMNDXYGGMWDPI-IBGZPJMESA-N 2 0 379.614 3.259 50 0 GGAARP Cc1ccccc1OCCC[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020782963 207215229 /nfs/dbraw/zinc/21/52/29/207215229.db2.gz VKLZPQABKLUVHB-PKTZIBPZSA-N 2 0 380.532 3.433 50 0 GGAARP C[N@H+](Cc1ccco1)Cc1ccc(-c2nc([C@H]3CCC[NH2+]C3)cc(=O)[nH]2)cc1 ZINC000023130764 207269525 /nfs/dbraw/zinc/26/95/25/207269525.db2.gz PCEMEZMBTATEDA-SFHVURJKSA-N 2 0 378.476 3.129 50 0 GGAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(Cc1ccc(O)cc1)C1CC1)CC[NH+](C)CC2 ZINC000072411661 208018271 /nfs/dbraw/zinc/01/82/71/208018271.db2.gz XZQJYCJGEXBHKC-OAQYLSRUSA-N 2 0 385.552 3.080 50 0 GGAARP c1cn(CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072424994 208023022 /nfs/dbraw/zinc/02/30/22/208023022.db2.gz KNFTUMZHPFTSAW-HXUWFJFHSA-N 2 0 390.535 3.120 50 0 GGAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NC(C)(C)Cc1ccc(F)cc1)CC[NH+](C)CC2 ZINC000072473342 208029469 /nfs/dbraw/zinc/02/94/69/208029469.db2.gz ZLFFCLOQSZAFGX-HXUWFJFHSA-N 2 0 389.559 3.459 50 0 GGAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NC(C)(C)Cc1ccc(F)cc1)CC[NH+](C)CC2 ZINC000072473343 208029592 /nfs/dbraw/zinc/02/95/92/208029592.db2.gz ZLFFCLOQSZAFGX-FQEVSTJZSA-N 2 0 389.559 3.459 50 0 GGAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ccc(Cl)cc1)CC[NH+](C)CC2 ZINC000072476171 208031622 /nfs/dbraw/zinc/03/16/22/208031622.db2.gz BVIOWIOAAXJWGX-IBGZPJMESA-N 2 0 377.960 3.195 50 0 GGAARP C[C@@H](CNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1)C[NH+](C)C ZINC000072478927 208034286 /nfs/dbraw/zinc/03/42/86/208034286.db2.gz MJNDKWYQMAEJSF-INIZCTEOSA-N 2 0 387.959 3.409 50 0 GGAARP CN(CC1CC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091644008 208129088 /nfs/dbraw/zinc/12/90/88/208129088.db2.gz FXKQZVXFRALJGO-JOCHJYFZSA-N 2 0 395.591 3.199 50 0 GGAARP C[NH+](C)CCN1C[C@]2(CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CCC1=O ZINC000091794468 208138039 /nfs/dbraw/zinc/13/80/39/208138039.db2.gz GPAYEQZTHOPPAK-HXUWFJFHSA-N 2 0 381.923 3.245 50 0 GGAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C3CCCCC3)s1)CC2 ZINC000091846115 208138302 /nfs/dbraw/zinc/13/83/02/208138302.db2.gz BZIXAENGVWTRQI-UXHICEINSA-N 2 0 378.582 3.487 50 0 GGAARP [NH3+]C1CCC([NH+]2CCC3(CC(=O)N(Cc4cc(F)cc(F)c4)C3)CC2)CC1 ZINC000091326925 208114463 /nfs/dbraw/zinc/11/44/63/208114463.db2.gz HUKCDUUQZAHJCR-UHFFFAOYSA-N 2 0 377.479 3.049 50 0 GGAARP O=C(C[NH+]1CCCC1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095366408 208163767 /nfs/dbraw/zinc/16/37/67/208163767.db2.gz DBWJLDBMYXFZHZ-NRFANRHFSA-N 2 0 381.564 3.343 50 0 GGAARP O=C(CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2)NC1CC1 ZINC000095382089 208173095 /nfs/dbraw/zinc/17/30/95/208173095.db2.gz IQXUBUBFXPAZGD-FQEVSTJZSA-N 2 0 381.564 3.389 50 0 GGAARP O=C(CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2)NC1CC1 ZINC000095382088 208173582 /nfs/dbraw/zinc/17/35/82/208173582.db2.gz IQXUBUBFXPAZGD-HXUWFJFHSA-N 2 0 381.564 3.389 50 0 GGAARP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CC[NH+](Cc2ccccc2Cl)CC3)C1 ZINC000091914899 208141013 /nfs/dbraw/zinc/14/10/13/208141013.db2.gz MFMJQKPIYLKHLY-GOSISDBHSA-N 2 0 375.944 3.249 50 0 GGAARP C[N@H+](CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1)C1CCCC1 ZINC000095507556 208207449 /nfs/dbraw/zinc/20/74/49/208207449.db2.gz JHSJUQFDDUFJPA-MDNUFGMLSA-N 2 0 385.527 3.089 50 0 GGAARP COc1cc(C[N@H+](C)CC2CC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095505641 208208827 /nfs/dbraw/zinc/20/88/27/208208827.db2.gz KOTIPGXHTJFXPM-HXUWFJFHSA-N 2 0 376.541 3.153 50 0 GGAARP O=C(c1cnco1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095510114 208209601 /nfs/dbraw/zinc/20/96/01/208209601.db2.gz CSQGFXZNDNAJSX-IBGZPJMESA-N 2 0 388.556 3.257 50 0 GGAARP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095504118 208205092 /nfs/dbraw/zinc/20/50/92/208205092.db2.gz HRLSIIPMWRABKO-IBGZPJMESA-N 2 0 388.508 3.064 50 0 GGAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095512779 208212389 /nfs/dbraw/zinc/21/23/89/208212389.db2.gz CWEUZNBRBMXNMZ-HXUWFJFHSA-N 2 0 394.531 3.245 50 0 GGAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095512780 208212486 /nfs/dbraw/zinc/21/24/86/208212486.db2.gz CWEUZNBRBMXNMZ-FQEVSTJZSA-N 2 0 394.531 3.245 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH+]2CCC(C)(C)CC2)ccc1OC ZINC000095516893 208216208 /nfs/dbraw/zinc/21/62/08/208216208.db2.gz OQWKAJTZXDWUAQ-LJQANCHMSA-N 2 0 378.557 3.399 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cc[nH]c1 ZINC000095524055 208223916 /nfs/dbraw/zinc/22/39/16/208223916.db2.gz HPZNIKKZOWTSIF-GOSISDBHSA-N 2 0 386.515 3.070 50 0 GGAARP COc1ccc(C[N@H+](C)C2CCSCC2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095529217 208228736 /nfs/dbraw/zinc/22/87/36/208228736.db2.gz MIBMRWRHAOUHBO-LJQANCHMSA-N 2 0 396.597 3.103 50 0 GGAARP CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2Cl)CC1 ZINC000095528969 208229415 /nfs/dbraw/zinc/22/94/15/208229415.db2.gz UXKOSWFPIBHBLO-INIZCTEOSA-N 2 0 393.959 3.403 50 0 GGAARP O=C(c1ccc(C[NH+]2CCc3ccccc3C2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299776256 209087390 /nfs/dbraw/zinc/08/73/90/209087390.db2.gz MNTWVOUIMWZXRQ-QHCPKHFHSA-N 2 0 375.516 3.165 50 0 GGAARP COc1ccc(C[NH2+]C2CCCCCC2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000015062333 221327904 /nfs/dbraw/zinc/32/79/04/221327904.db2.gz RUMCFVOXWOTRMM-HXUWFJFHSA-N 2 0 376.541 3.343 50 0 GGAARP Cc1cccc(C[N@@H+]2CCN(c3cc(C)[nH+]c4ccccc43)C[C@@H]2CCO)n1 ZINC000072421720 136169755 /nfs/dbraw/zinc/16/97/55/136169755.db2.gz ZCCRWOYQUUJOBX-FQEVSTJZSA-N 2 0 376.504 3.320 50 0 GGAARP CC[NH+](CC)CCC[C@@H](C)NC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000426392699 528116241 /nfs/dbraw/zinc/11/62/41/528116241.db2.gz DJGUDAYAEYZSIT-QGZVFWFLSA-N 2 0 375.561 3.041 50 0 GGAARP CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072144012 564861830 /nfs/dbraw/zinc/86/18/30/564861830.db2.gz OQKXBQZCGOMEJU-CQSZACIVSA-N 2 0 377.941 3.245 50 0 GGAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(C4CCCC4)s3)C[C@H]2CCO)CC1 ZINC000106693447 570261307 /nfs/dbraw/zinc/26/13/07/570261307.db2.gz XIJFFEJSVYMXAV-HXUWFJFHSA-N 2 0 391.625 3.369 50 0 GGAARP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000011817085 570584353 /nfs/dbraw/zinc/58/43/53/570584353.db2.gz YRLCHNLMVVGFER-QFIPXVFZSA-N 2 0 389.559 3.413 50 0 GGAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000011820692 570586181 /nfs/dbraw/zinc/58/61/81/570586181.db2.gz QIOGPXITKJJUOQ-UHFFFAOYSA-N 2 0 384.568 3.207 50 0 GGAARP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000011879697 570590925 /nfs/dbraw/zinc/59/09/25/570590925.db2.gz CCBHAXJKJKVFAA-KRWDZBQOSA-N 2 0 383.458 3.270 50 0 GGAARP C[NH+](C)CCCOc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)c1 ZINC000039552051 570593279 /nfs/dbraw/zinc/59/32/79/570593279.db2.gz LMLNCEFVAGSUOW-LJQANCHMSA-N 2 0 387.568 3.288 50 0 GGAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000011938149 570594830 /nfs/dbraw/zinc/59/48/30/570594830.db2.gz BXYSONGUUKCPGP-UHFFFAOYSA-N 2 0 384.568 3.064 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011997838 570597457 /nfs/dbraw/zinc/59/74/57/570597457.db2.gz NCBSEBNKWQPEOA-NRFANRHFSA-N 2 0 386.536 3.373 50 0 GGAARP C[NH+](C)[C@H]1CCN(C(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)C1 ZINC000012373239 570648645 /nfs/dbraw/zinc/64/86/45/570648645.db2.gz UINDBBLELPTNRL-FQEVSTJZSA-N 2 0 385.552 3.249 50 0 GGAARP COc1ccc(C[NH2+]C2CCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012442702 570664953 /nfs/dbraw/zinc/66/49/53/570664953.db2.gz JRKGCYZJKOFRML-OAQYLSRUSA-N 2 0 384.520 3.209 50 0 GGAARP COc1ccc(C[NH2+]C2CCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012442700 570665056 /nfs/dbraw/zinc/66/50/56/570665056.db2.gz JRKGCYZJKOFRML-NRFANRHFSA-N 2 0 384.520 3.209 50 0 GGAARP CCOCCC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012457981 570669679 /nfs/dbraw/zinc/66/96/79/570669679.db2.gz VONAYUUDUFKBMZ-JOCHJYFZSA-N 2 0 386.536 3.075 50 0 GGAARP COc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012477969 570674146 /nfs/dbraw/zinc/67/41/46/570674146.db2.gz OSYWHXWFYYHYNA-GOSISDBHSA-N 2 0 392.565 3.435 50 0 GGAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2cccc3c2OCO3)CC1 ZINC000055245223 570688839 /nfs/dbraw/zinc/68/88/39/570688839.db2.gz KJFAZQSAPBPOOW-UHFFFAOYSA-N 2 0 397.519 3.171 50 0 GGAARP COc1cccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1OCC[NH+](C)C ZINC000055386005 570693674 /nfs/dbraw/zinc/69/36/74/570693674.db2.gz DZIBFQPYBWTPIB-UHFFFAOYSA-N 2 0 386.492 3.087 50 0 GGAARP COc1ccc(C[N@H+](C)CCC(C)C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012713867 570703699 /nfs/dbraw/zinc/70/36/99/570703699.db2.gz AXKWOBOLDZIHLP-FQEVSTJZSA-N 2 0 378.557 3.399 50 0 GGAARP COc1ccc(C[NH2+]CCc2ccccc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012715458 570704306 /nfs/dbraw/zinc/70/43/06/570704306.db2.gz QNKLNDXFLURJKT-QFIPXVFZSA-N 2 0 398.547 3.253 50 0 GGAARP Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067790310 570791314 /nfs/dbraw/zinc/79/13/14/570791314.db2.gz MKBDEBBTXPQNSB-UHFFFAOYSA-N 2 0 387.959 3.046 50 0 GGAARP CCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071721463 570844169 /nfs/dbraw/zinc/84/41/69/570844169.db2.gz YKAMYWXCEPFAOI-OAQYLSRUSA-N 2 0 383.580 3.199 50 0 GGAARP [NH3+][C@@H]1CC[C@@H](NC(=O)C2(c3ccccc3)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071761051 570849804 /nfs/dbraw/zinc/84/98/04/570849804.db2.gz HBFMXQZCTRAPDR-FGZHOGPDSA-N 2 0 377.532 3.216 50 0 GGAARP CC(C)=CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071763865 570850775 /nfs/dbraw/zinc/85/07/75/570850775.db2.gz KSUUNHQQWAPISX-OAQYLSRUSA-N 2 0 384.568 3.231 50 0 GGAARP CCN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)C1CC1 ZINC000071776931 570853401 /nfs/dbraw/zinc/85/34/01/570853401.db2.gz YHHMSOARZQCYNN-NRFANRHFSA-N 2 0 395.591 3.341 50 0 GGAARP O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072171359 570877462 /nfs/dbraw/zinc/87/74/62/570877462.db2.gz KUXQJUXSQIIICU-OAQYLSRUSA-N 2 0 389.543 3.079 50 0 GGAARP CCn1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)c(C)n1 ZINC000011817022 570980101 /nfs/dbraw/zinc/98/01/01/570980101.db2.gz GEBIAQIZUTULGH-NRFANRHFSA-N 2 0 392.507 3.309 50 0 GGAARP CCn1nc(C)c(C[N@@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)c1C ZINC000011668030 1399003713 /nfs/dbraw/zinc/00/37/13/1399003713.db2.gz WTLWLTTYPGDFFM-UHFFFAOYSA-N 2 0 399.583 3.275 50 0 GGAARP COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011841483 1399015010 /nfs/dbraw/zinc/01/50/10/1399015010.db2.gz ASPAEZAFQQWRFS-LJQANCHMSA-N 2 0 376.541 3.053 50 0 GGAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000011874606 1399016069 /nfs/dbraw/zinc/01/60/69/1399016069.db2.gz XRQVYQFBKFRNTF-OAQYLSRUSA-N 2 0 384.520 3.129 50 0 GGAARP COc1cc(C[NH2+]CC2CCCCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011999005 1399023166 /nfs/dbraw/zinc/02/31/66/1399023166.db2.gz WBVAKMHCTZBMPR-FQEVSTJZSA-N 2 0 378.557 3.445 50 0 GGAARP CC(=O)CCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012074969 1399027221 /nfs/dbraw/zinc/02/72/21/1399027221.db2.gz DZRZZEWYPCEMST-OAQYLSRUSA-N 2 0 391.600 3.325 50 0 GGAARP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(-n4nc(C)cc4C)c3)C2)C1 ZINC000012073376 1399027448 /nfs/dbraw/zinc/02/74/48/1399027448.db2.gz RZCRLUOXDCEXDT-QHCPKHFHSA-N 2 0 382.552 3.423 50 0 GGAARP OCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012298669 1399036612 /nfs/dbraw/zinc/03/66/12/1399036612.db2.gz NZFDUYQVLLQNIT-HXUWFJFHSA-N 2 0 376.541 3.408 50 0 GGAARP Cc1cnccc1C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012319614 1399039275 /nfs/dbraw/zinc/03/92/75/1399039275.db2.gz QGUPEGBVLJYTBM-QFIPXVFZSA-N 2 0 383.536 3.296 50 0 GGAARP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000012435127 1399042339 /nfs/dbraw/zinc/04/23/39/1399042339.db2.gz XSSSUXWDTAAYFO-NRFANRHFSA-N 2 0 384.568 3.064 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012468506 1399044660 /nfs/dbraw/zinc/04/46/60/1399044660.db2.gz KWZBDEFLRHEDJZ-LJQANCHMSA-N 2 0 388.508 3.112 50 0 GGAARP CCOc1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](CCOC)CC1 ZINC000012576749 1399048254 /nfs/dbraw/zinc/04/82/54/1399048254.db2.gz IDRQWFLOSMKSLS-QFIPXVFZSA-N 2 0 390.568 3.425 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000012587122 1399049166 /nfs/dbraw/zinc/04/91/66/1399049166.db2.gz XOJNCAJHZWQUDI-NRFANRHFSA-N 2 0 386.536 3.375 50 0 GGAARP COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012716635 1399055415 /nfs/dbraw/zinc/05/54/15/1399055415.db2.gz NNFBFZBSFPTNAI-OAQYLSRUSA-N 2 0 396.531 3.310 50 0 GGAARP O=C(CCC1CC[NH+](C2CCOCC2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012763970 1399058332 /nfs/dbraw/zinc/05/83/32/1399058332.db2.gz RXERCABXMSOEOB-JOCHJYFZSA-N 2 0 399.579 3.048 50 0 GGAARP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)cc(C)c3-n3cccn3)C2)C1 ZINC000014949658 1399128746 /nfs/dbraw/zinc/12/87/46/1399128746.db2.gz YOMGRXDKZMLKIY-HSZRJFAPSA-N 2 0 382.552 3.423 50 0 GGAARP O[C@H](COc1cccc(C[NH2+]CC2(O)CCCCC2)c1)C[NH+]1CCCCCC1 ZINC000014972142 1399129651 /nfs/dbraw/zinc/12/96/51/1399129651.db2.gz AWJYOGYFYGGKOH-NRFANRHFSA-N 2 0 390.568 3.087 50 0 GGAARP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000015065318 1399136121 /nfs/dbraw/zinc/13/61/21/1399136121.db2.gz PACQAYRKQFTJAC-HXUWFJFHSA-N 2 0 376.541 3.343 50 0 GGAARP COCC[N@H+](CCCn1cccn1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000020450967 1399346437 /nfs/dbraw/zinc/34/64/37/1399346437.db2.gz VXYLPTATPZOSOA-NRFANRHFSA-N 2 0 396.579 3.101 50 0 GGAARP COCC[N@@H+](Cc1ccccn1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000067846669 1409243510 /nfs/dbraw/zinc/24/35/10/1409243510.db2.gz OJEJMFNHSLHMRZ-UHFFFAOYSA-N 2 0 383.536 3.451 50 0 GGAARP CN(C(=O)c1cccc(-c2ccccc2OCC[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000426668519 231251012 /nfs/dbraw/zinc/25/10/12/231251012.db2.gz ZGZFAMYNZMHKOI-FQEVSTJZSA-N 2 0 381.520 3.070 50 0 GGAARP Cc1c[nH+]ccc1N1CCCN(C(=O)NCC[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000426669129 231252380 /nfs/dbraw/zinc/25/23/80/231252380.db2.gz ONJWOPUGXLBWDW-HXUWFJFHSA-N 2 0 387.572 3.265 50 0 GGAARP CNc1nc(N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc(C)[nH+]1 ZINC000426669012 529836308 /nfs/dbraw/zinc/83/63/08/529836308.db2.gz LUAHGWHBEPMSSM-HSZRJFAPSA-N 2 0 379.552 3.174 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]C2Cc3ccccc3C2)ccc1OC ZINC000015079578 210152671 /nfs/dbraw/zinc/15/26/71/210152671.db2.gz XIGUZUHLTWIMSS-JOCHJYFZSA-N 2 0 398.547 3.034 50 0 GGAARP O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000015078876 210151746 /nfs/dbraw/zinc/15/17/46/210151746.db2.gz PKGKVQNLSFRUBN-UHFFFAOYSA-N 2 0 384.568 3.207 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000015062848 210144832 /nfs/dbraw/zinc/14/48/32/210144832.db2.gz OMMHGMZLDDVMPJ-QFIPXVFZSA-N 2 0 383.580 3.247 50 0 GGAARP COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000014948027 210132198 /nfs/dbraw/zinc/13/21/98/210132198.db2.gz YVPWTPUYGUCKGW-JOCHJYFZSA-N 2 0 398.547 3.333 50 0 GGAARP CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000012836609 210016119 /nfs/dbraw/zinc/01/61/19/210016119.db2.gz WEPQMVHOJBQJQP-NRFANRHFSA-N 2 0 375.532 3.023 50 0 GGAARP COc1ccc(C[NH2+]CCSC)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012586695 209981738 /nfs/dbraw/zinc/98/17/38/209981738.db2.gz KMNNFLHTGUXDRE-IBGZPJMESA-N 2 0 396.597 3.154 50 0 GGAARP CC(=CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000001215829 209315017 /nfs/dbraw/zinc/31/50/17/209315017.db2.gz QXIYSRZGQREFEF-XNTDXEJSSA-N 2 0 378.605 3.214 50 0 GGAARP C[C@]1(O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000000710736 209262308 /nfs/dbraw/zinc/26/23/08/209262308.db2.gz UYCDKYYLWWFWGU-HXUWFJFHSA-N 2 0 381.561 3.136 50 0 GGAARP Cc1cc(C)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1C ZINC000039400236 212041454 /nfs/dbraw/zinc/04/14/54/212041454.db2.gz HBENQHRSJBYMBA-XMMPIXPASA-N 2 0 387.612 3.353 50 0 GGAARP CC(C)(C)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCC3)s2)C[C@@H]1CCO ZINC000023358483 209174620 /nfs/dbraw/zinc/17/46/20/209174620.db2.gz RTVIDEQEWKEZPF-SFHVURJKSA-N 2 0 379.614 3.259 50 0 GGAARP COc1cc(C[N@@H+]2CCC3(CC[NH+](CC4CC4)CC3)[C@@H](CO)C2)ccc1F ZINC000097217675 211361781 /nfs/dbraw/zinc/36/17/81/211361781.db2.gz QENFQFYHALZWJG-LJQANCHMSA-N 2 0 376.516 3.141 50 0 GGAARP O[C@@H](COc1cccc(C[NH+]2CCCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095518298 211263867 /nfs/dbraw/zinc/26/38/67/211263867.db2.gz SVIVRWZGPFZWJD-HSZRJFAPSA-N 2 0 380.532 3.471 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1(C)CC1 ZINC000095525885 211273168 /nfs/dbraw/zinc/27/31/68/211273168.db2.gz CYBAXNJYZAIJEY-GOSISDBHSA-N 2 0 375.532 3.228 50 0 GGAARP COCC[N@H+](C)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095524508 211271113 /nfs/dbraw/zinc/27/11/13/211271113.db2.gz WSQUNZUCOMBUJB-LJQANCHMSA-N 2 0 384.948 3.034 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccncc1 ZINC000095524327 211270525 /nfs/dbraw/zinc/27/05/25/211270525.db2.gz LTFVQNBSABDWJY-LJQANCHMSA-N 2 0 398.526 3.137 50 0 GGAARP O[C@H](COc1ccc(C[NH+]2CCC(F)CC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000095524958 211269603 /nfs/dbraw/zinc/26/96/03/211269603.db2.gz GRTYHVFBFYVOAK-QHCPKHFHSA-N 2 0 398.522 3.419 50 0 GGAARP O=C(c1ccnnc1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095521783 211267870 /nfs/dbraw/zinc/26/78/70/211267870.db2.gz LBHPFENRFBPOSI-FQEVSTJZSA-N 2 0 399.583 3.059 50 0 GGAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000095518539 211263769 /nfs/dbraw/zinc/26/37/69/211263769.db2.gz GRABWPZVVGEGJW-NRFANRHFSA-N 2 0 387.568 3.144 50 0 GGAARP CC(C)C(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095519230 211265114 /nfs/dbraw/zinc/26/51/14/211265114.db2.gz XLSYCYJNBWMQQX-UHFFFAOYSA-N 2 0 385.596 3.302 50 0 GGAARP COc1cc(C[N@@H+]2CCCCC23CC3)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095510124 211259274 /nfs/dbraw/zinc/25/92/74/211259274.db2.gz HUTUNGWAKIPOQB-IBGZPJMESA-N 2 0 376.541 3.294 50 0 GGAARP COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095507597 211258261 /nfs/dbraw/zinc/25/82/61/211258261.db2.gz WKYUTFKGCFDQNT-QFIPXVFZSA-N 2 0 396.531 3.089 50 0 GGAARP COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095506157 211258281 /nfs/dbraw/zinc/25/82/81/211258281.db2.gz LWMGHJXZHCQIEC-FQEVSTJZSA-N 2 0 388.552 3.297 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccco1 ZINC000095507698 211257125 /nfs/dbraw/zinc/25/71/25/211257125.db2.gz GCJXWBBSZKMEDT-GOSISDBHSA-N 2 0 387.499 3.335 50 0 GGAARP O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095355062 211222485 /nfs/dbraw/zinc/22/24/85/211222485.db2.gz MGQBFHKEZWAYCH-OAQYLSRUSA-N 2 0 393.531 3.254 50 0 GGAARP O=C1CCCN1CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095375399 211230542 /nfs/dbraw/zinc/23/05/42/211230542.db2.gz OXHKQURPDHUOGS-NRFANRHFSA-N 2 0 381.564 3.343 50 0 GGAARP COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)cc1C ZINC000095357615 211224509 /nfs/dbraw/zinc/22/45/09/211224509.db2.gz RMHLVVKTFHXJKK-UHFFFAOYSA-N 2 0 387.568 3.160 50 0 GGAARP COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)c(C)c1 ZINC000091906584 211211113 /nfs/dbraw/zinc/21/11/13/211211113.db2.gz AOLUXTWDABXDBK-UHFFFAOYSA-N 2 0 387.568 3.160 50 0 GGAARP Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1CN1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000092027968 211213850 /nfs/dbraw/zinc/21/38/50/211213850.db2.gz JJCAMCOBVQJPKE-DNQXCXABSA-N 2 0 387.612 3.137 50 0 GGAARP COCc1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091657352 211201958 /nfs/dbraw/zinc/20/19/58/211201958.db2.gz BPXASQQGXYWNGX-NRFANRHFSA-N 2 0 380.536 3.325 50 0 GGAARP C[NH+](C)CCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000091626025 211199734 /nfs/dbraw/zinc/19/97/34/211199734.db2.gz HKDATFNOZLUYFO-UHFFFAOYSA-N 2 0 377.960 3.496 50 0 GGAARP O=C(NCC(F)F)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082121044 211161506 /nfs/dbraw/zinc/16/15/06/211161506.db2.gz UPETYNSBIMQPES-UHFFFAOYSA-N 2 0 393.522 3.177 50 0 GGAARP C[N@H+](CCCN1CC2(CC[NH+]([C@H]3CCCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072411647 211114304 /nfs/dbraw/zinc/11/43/04/211114304.db2.gz RRJZQBKPLADMAQ-FQEVSTJZSA-N 2 0 393.572 3.107 50 0 GGAARP C[N@H+](CCCN1CC2(CC[NH+]([C@@H]3CCCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072411646 211113574 /nfs/dbraw/zinc/11/35/74/211113574.db2.gz RRJZQBKPLADMAQ-HXUWFJFHSA-N 2 0 393.572 3.107 50 0 GGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000072152410 211078743 /nfs/dbraw/zinc/07/87/43/211078743.db2.gz VKJBNUQBDBRJFA-FCEUIQTBSA-N 2 0 376.516 3.165 50 0 GGAARP O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072149116 211075134 /nfs/dbraw/zinc/07/51/34/211075134.db2.gz CXMIBHCZHUGJIR-QFIPXVFZSA-N 2 0 377.532 3.057 50 0 GGAARP CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020209673 210322785 /nfs/dbraw/zinc/32/27/85/210322785.db2.gz NYANWAWWQJLGTA-HXUWFJFHSA-N 2 0 383.580 3.245 50 0 GGAARP CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020206686 210320969 /nfs/dbraw/zinc/32/09/69/210320969.db2.gz DBAXKAUFADUOOV-NRFANRHFSA-N 2 0 383.580 3.199 50 0 GGAARP C[NH+]1CCC(N2CC[NH+](Cc3c[nH]nc3-c3cccc4ccccc43)CC2)CC1 ZINC000019839794 210302778 /nfs/dbraw/zinc/30/27/78/210302778.db2.gz ZBCFEBIHKMXOER-UHFFFAOYSA-N 2 0 389.547 3.442 50 0 GGAARP Cc1cccc(-c2ncc(C[N@H+]3CCC[C@@H](N(C)CCC[NH+](C)C)C3)cn2)c1 ZINC000019633743 210277426 /nfs/dbraw/zinc/27/74/26/210277426.db2.gz GCRDYFDJQTWLKJ-JOCHJYFZSA-N 2 0 381.568 3.300 50 0 GGAARP COCC[NH+]1CCC(C[N@H+](Cc2cnn(C(C)C)c2)Cc2ccncc2)CC1 ZINC000011821610 221129160 /nfs/dbraw/zinc/12/91/60/221129160.db2.gz PAPYYCOCUXNNLH-UHFFFAOYSA-N 2 0 385.556 3.220 50 0 GGAARP Cc1n[nH]c(C)c1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095370211 136178422 /nfs/dbraw/zinc/17/84/22/136178422.db2.gz HPLIDKYMCAYRMS-HNNXBMFYSA-N 2 0 383.544 3.045 50 0 GGAARP CCC[NH+]1CCC2(CC1)CC[N@@H+](C1CCN(c3ccccc3)CC1)C[C@H]2CO ZINC000097347007 136188431 /nfs/dbraw/zinc/18/84/31/136188431.db2.gz BTKRBTDWFVYHST-NRFANRHFSA-N 2 0 385.596 3.462 50 0 GGAARP Cc1cc(C)n(-c2cccc(C[N@H+]3CCCN(C)C4(CC[NH+](C)CC4)C3)c2)n1 ZINC000067588912 222149276 /nfs/dbraw/zinc/14/92/76/222149276.db2.gz MPUQNWZMOOTXQY-UHFFFAOYSA-N 2 0 381.568 3.091 50 0 GGAARP Cc1ccsc1CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000426674255 534468736 /nfs/dbraw/zinc/46/87/36/534468736.db2.gz MFGWXEOGZVDAQO-UHFFFAOYSA-N 2 0 380.602 3.250 50 0 GGAARP C[NH+](C)CCCN1CC2(CCC1=O)CCN(c1cc[nH+]c3ccccc31)CC2 ZINC000095360280 535833181 /nfs/dbraw/zinc/83/31/81/535833181.db2.gz KONRYEYVNUUESA-UHFFFAOYSA-N 2 0 380.536 3.396 50 0 GGAARP C[N@H+](Cc1cccnc1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012318934 570307462 /nfs/dbraw/zinc/30/74/62/570307462.db2.gz CKGRQOJGCSYFCV-JOCHJYFZSA-N 2 0 383.536 3.329 50 0 GGAARP CCc1ccccc1OCC[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023429828 570362385 /nfs/dbraw/zinc/36/23/85/570362385.db2.gz MRPGAYDPUCSYDN-PKTZIBPZSA-N 2 0 380.532 3.297 50 0 GGAARP C[N@H+](CCc1ccccc1)C1(C(=O)N[C@H]2CC[C@@H]([NH3+])CC2)Cc2ccccc2C1 ZINC000244840253 570433837 /nfs/dbraw/zinc/43/38/37/570433837.db2.gz UJUQMWKQPUKITD-ZRZAMGCNSA-N 2 0 391.559 3.085 50 0 GGAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc[nH]2)C[C@@H]2CCCO2)CC1 ZINC000011661370 570576940 /nfs/dbraw/zinc/57/69/40/570576940.db2.gz OBKQBYHQGTVHHL-NRFANRHFSA-N 2 0 386.515 3.442 50 0 GGAARP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000011664983 570578859 /nfs/dbraw/zinc/57/88/59/570578859.db2.gz XEQOSKOABJBWML-HXUWFJFHSA-N 2 0 384.568 3.064 50 0 GGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000011873002 570589212 /nfs/dbraw/zinc/58/92/12/570589212.db2.gz ZIDOQSKDPUZKNH-QFIPXVFZSA-N 2 0 383.536 3.376 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC ZINC000011873619 570589221 /nfs/dbraw/zinc/58/92/21/570589221.db2.gz OHELTUDQSDVDFG-IBGZPJMESA-N 2 0 390.499 3.206 50 0 GGAARP O[C@H](COc1ccccc1C[NH2+]CCC1=CCCCC1)C[NH+]1CCSCC1 ZINC000039359795 570589972 /nfs/dbraw/zinc/58/99/72/570589972.db2.gz UXUUWEOJLWRNNC-NRFANRHFSA-N 2 0 390.593 3.455 50 0 GGAARP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000011879698 570591116 /nfs/dbraw/zinc/59/11/16/570591116.db2.gz CCBHAXJKJKVFAA-QGZVFWFLSA-N 2 0 383.458 3.270 50 0 GGAARP C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)(c2ccccc2)CC1 ZINC000011951386 570595810 /nfs/dbraw/zinc/59/58/10/570595810.db2.gz YUVSDJJAHNXZMB-XMMPIXPASA-N 2 0 395.591 3.375 50 0 GGAARP CC(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011996811 570597267 /nfs/dbraw/zinc/59/72/67/570597267.db2.gz OOXJGQFOKSOYIK-JOCHJYFZSA-N 2 0 397.607 3.445 50 0 GGAARP CCCC[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012075349 570605024 /nfs/dbraw/zinc/60/50/24/570605024.db2.gz OBSZZEINFWONHC-OAQYLSRUSA-N 2 0 386.536 3.457 50 0 GGAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000012300446 570635691 /nfs/dbraw/zinc/63/56/91/570635691.db2.gz HEQUFHPHWHMJRJ-QHCPKHFHSA-N 2 0 398.547 3.075 50 0 GGAARP COCC[N@@H+](Cc1cnc(C)[nH]1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012307246 570639486 /nfs/dbraw/zinc/63/94/86/570639486.db2.gz OIKGVBWPOHSPIL-UHFFFAOYSA-N 2 0 386.540 3.087 50 0 GGAARP CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000012432076 570660134 /nfs/dbraw/zinc/66/01/34/570660134.db2.gz HPDCKAMYYZXVNI-FQEVSTJZSA-N 2 0 389.559 3.271 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000012438229 570662959 /nfs/dbraw/zinc/66/29/59/570662959.db2.gz BPGROSDAPWBICC-FQEVSTJZSA-N 2 0 390.499 3.206 50 0 GGAARP C[C@@H](CCc1ccc(O)cc1)[NH+]1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012472253 570673240 /nfs/dbraw/zinc/67/32/40/570673240.db2.gz WGRCZLYWYFQYIX-SFHVURJKSA-N 2 0 399.579 3.168 50 0 GGAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000012596125 570689263 /nfs/dbraw/zinc/68/92/63/570689263.db2.gz DSQPUMATZKPZGB-UHFFFAOYSA-N 2 0 385.474 3.375 50 0 GGAARP C/C=C(\C)C[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012704962 570699899 /nfs/dbraw/zinc/69/98/99/570699899.db2.gz QYABHTLPADVFMV-FZSIALSZSA-N 2 0 393.959 3.441 50 0 GGAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(F)c(OC)c2)C[C@H]2CCCO2)CC1 ZINC000012076285 570958045 /nfs/dbraw/zinc/95/80/45/570958045.db2.gz LAGUJGFTVKXEPY-HXUWFJFHSA-N 2 0 394.531 3.174 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2cccc(F)c2)ccc1OC ZINC000012712616 570967185 /nfs/dbraw/zinc/96/71/85/570967185.db2.gz NGUIZGTWLCFWIF-FQEVSTJZSA-N 2 0 390.499 3.206 50 0 GGAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC000095517979 571084996 /nfs/dbraw/zinc/08/49/96/571084996.db2.gz QDJDNQMMDQZITL-JOCHJYFZSA-N 2 0 386.511 3.492 50 0 GGAARP CSCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012092677 1399027800 /nfs/dbraw/zinc/02/78/00/1399027800.db2.gz KLKIRGZTNMMSMN-LJQANCHMSA-N 2 0 381.630 3.319 50 0 GGAARP O[C@@H](COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[NH+]1CCSCC1 ZINC000012201667 1399033492 /nfs/dbraw/zinc/03/34/92/1399033492.db2.gz MYIGETUDNRDZKZ-OAQYLSRUSA-N 2 0 398.572 3.254 50 0 GGAARP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000012302068 1399037466 /nfs/dbraw/zinc/03/74/66/1399037466.db2.gz RRYKISZPMPCJHC-IBGZPJMESA-N 2 0 384.568 3.207 50 0 GGAARP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000012435126 1399042090 /nfs/dbraw/zinc/04/20/90/1399042090.db2.gz XSSSUXWDTAAYFO-OAQYLSRUSA-N 2 0 384.568 3.064 50 0 GGAARP CC(C)n1cc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cn1 ZINC000012437438 1399042846 /nfs/dbraw/zinc/04/28/46/1399042846.db2.gz GNNUKLUWEMVFBT-LJQANCHMSA-N 2 0 389.588 3.009 50 0 GGAARP CC(C)n1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cn1 ZINC000012437437 1399043194 /nfs/dbraw/zinc/04/31/94/1399043194.db2.gz GNNUKLUWEMVFBT-IBGZPJMESA-N 2 0 389.588 3.009 50 0 GGAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012594068 1399049843 /nfs/dbraw/zinc/04/98/43/1399049843.db2.gz KMWOIERZACKHFN-OAQYLSRUSA-N 2 0 384.520 3.129 50 0 GGAARP O=C(c1cnccn1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012701298 1399053993 /nfs/dbraw/zinc/05/39/93/1399053993.db2.gz OGJFLQUIFPEFQR-HXUWFJFHSA-N 2 0 399.583 3.059 50 0 GGAARP CSCCC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012745933 1399057615 /nfs/dbraw/zinc/05/76/15/1399057615.db2.gz ZLSRPBLADGFZEK-OAQYLSRUSA-N 2 0 388.577 3.401 50 0 GGAARP O=C([C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000014754297 1399118244 /nfs/dbraw/zinc/11/82/44/1399118244.db2.gz UIQRAICMCXYYET-DHIUTWEWSA-N 2 0 383.580 3.276 50 0 GGAARP COc1cc(C[NH2+]C2CCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014956845 1399128724 /nfs/dbraw/zinc/12/87/24/1399128724.db2.gz PNLSMELPICNFSN-FQEVSTJZSA-N 2 0 376.541 3.343 50 0 GGAARP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)cc(C)c3-n3cccn3)C2)C1 ZINC000014949661 1399128941 /nfs/dbraw/zinc/12/89/41/1399128941.db2.gz YOMGRXDKZMLKIY-QHCPKHFHSA-N 2 0 382.552 3.423 50 0 GGAARP Cc1cc(C)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCC[N@@H+](C)CC3)CC2)cc1C ZINC000014988714 1399130210 /nfs/dbraw/zinc/13/02/10/1399130210.db2.gz HRFUHVJNEGRZEY-JOCHJYFZSA-N 2 0 383.580 3.378 50 0 GGAARP CC(=O)c1cccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)c1 ZINC000019811869 1399338980 /nfs/dbraw/zinc/33/89/80/1399338980.db2.gz QCZBDYVAWNCAKN-PKTZIBPZSA-N 2 0 378.516 3.400 50 0 GGAARP CC(C)(CO)CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000020455770 1399347426 /nfs/dbraw/zinc/34/74/26/1399347426.db2.gz HBQFSXBFAGXEPK-NRFANRHFSA-N 2 0 379.633 3.447 50 0 GGAARP Cc1ccc(OCC[N@@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c(C)c1 ZINC000020600093 1399349646 /nfs/dbraw/zinc/34/96/46/1399349646.db2.gz AVKOETYZEROKRI-PKTZIBPZSA-N 2 0 380.532 3.351 50 0 GGAARP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000043000169 1403687396 /nfs/dbraw/zinc/68/73/96/1403687396.db2.gz QVTBDMZDBLWDNW-UHFFFAOYSA-N 2 0 385.596 3.266 50 0 GGAARP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426511601 529958033 /nfs/dbraw/zinc/95/80/33/529958033.db2.gz HNWHGRMCNKRNMH-NRFANRHFSA-N 2 0 386.499 3.290 50 0 GGAARP COc1ccc(C[NH2+]CC(C)C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011873806 212078107 /nfs/dbraw/zinc/07/81/07/212078107.db2.gz NILMKHQDNZIRCI-FQEVSTJZSA-N 2 0 378.557 3.447 50 0 GGAARP COc1cc(C[NH2+]C2CCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011764559 221124481 /nfs/dbraw/zinc/12/44/81/221124481.db2.gz ICIMFDHNFSQBBU-FQEVSTJZSA-N 2 0 376.541 3.342 50 0 GGAARP O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000011754134 221124499 /nfs/dbraw/zinc/12/44/99/221124499.db2.gz KZUKCXSMVCIRNX-FQEVSTJZSA-N 2 0 396.579 3.231 50 0 GGAARP O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000011754135 221124523 /nfs/dbraw/zinc/12/45/23/221124523.db2.gz KZUKCXSMVCIRNX-HXUWFJFHSA-N 2 0 396.579 3.231 50 0 GGAARP COc1cc(C[NH+]2CCCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011817161 221127385 /nfs/dbraw/zinc/12/73/85/221127385.db2.gz ZUONQBWSNIFSCF-FQEVSTJZSA-N 2 0 376.541 3.295 50 0 GGAARP COc1cc(C[NH+]2CCCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011817162 221128388 /nfs/dbraw/zinc/12/83/88/221128388.db2.gz ZUONQBWSNIFSCF-HXUWFJFHSA-N 2 0 376.541 3.295 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC ZINC000011873620 221132982 /nfs/dbraw/zinc/13/29/82/221132982.db2.gz OHELTUDQSDVDFG-LJQANCHMSA-N 2 0 390.499 3.206 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3F)C2)CC1 ZINC000011873118 221133025 /nfs/dbraw/zinc/13/30/25/221133025.db2.gz QSXKBRZYURBISY-IBGZPJMESA-N 2 0 375.532 3.069 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccs1 ZINC000011874424 221134707 /nfs/dbraw/zinc/13/47/07/221134707.db2.gz XHKVZLGXOQMDBG-LJQANCHMSA-N 2 0 393.597 3.033 50 0 GGAARP O[C@H](COc1cccc(C[NH2+]CCCc2cccnc2)c1)C[NH+]1CCCCCC1 ZINC000011664981 221119753 /nfs/dbraw/zinc/11/97/53/221119753.db2.gz PEMAHQHMWOKPPX-QHCPKHFHSA-N 2 0 397.563 3.420 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011699161 221122394 /nfs/dbraw/zinc/12/23/94/221122394.db2.gz OOQBYZVYXQRNIH-LJQANCHMSA-N 2 0 390.499 3.204 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011699154 221122879 /nfs/dbraw/zinc/12/28/79/221122879.db2.gz OOQBYZVYXQRNIH-IBGZPJMESA-N 2 0 390.499 3.204 50 0 GGAARP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000011938045 221138779 /nfs/dbraw/zinc/13/87/79/221138779.db2.gz MTMLEPYTSCIXEB-OAQYLSRUSA-N 2 0 398.595 3.455 50 0 GGAARP Cn1cc(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c2ccccc21 ZINC000011976134 221141358 /nfs/dbraw/zinc/14/13/58/221141358.db2.gz DRQLKKFQEOFQCU-XMMPIXPASA-N 2 0 393.531 3.342 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC1(C)CC1 ZINC000012002041 221142666 /nfs/dbraw/zinc/14/26/66/221142666.db2.gz NKHAVEVPKAGEHO-NRFANRHFSA-N 2 0 393.616 3.238 50 0 GGAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(F)c(OC)c2)C[C@@H]2CCCO2)CC1 ZINC000012076283 221148002 /nfs/dbraw/zinc/14/80/02/221148002.db2.gz LAGUJGFTVKXEPY-FQEVSTJZSA-N 2 0 394.531 3.174 50 0 GGAARP O=C(NCC1CC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012076792 221148536 /nfs/dbraw/zinc/14/85/36/221148536.db2.gz JMWQBKONBNDEPO-UHFFFAOYSA-N 2 0 383.580 3.322 50 0 GGAARP CC(=O)CCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012074973 221148675 /nfs/dbraw/zinc/14/86/75/221148675.db2.gz DZRZZEWYPCEMST-NRFANRHFSA-N 2 0 391.600 3.325 50 0 GGAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]Cc2cccnc2)c1)C1CCCCC1 ZINC000012304811 221177102 /nfs/dbraw/zinc/17/71/02/221177102.db2.gz NPBSKIZHLFYBTB-JOCHJYFZSA-N 2 0 383.536 3.376 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000012432891 221193089 /nfs/dbraw/zinc/19/30/89/221193089.db2.gz YXTWXHBHZPTRRI-QGZVFWFLSA-N 2 0 379.495 3.166 50 0 GGAARP c1ncc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000012445096 221196998 /nfs/dbraw/zinc/19/69/98/221196998.db2.gz ASBKYTDUEQZPPG-XMMPIXPASA-N 2 0 394.563 3.270 50 0 GGAARP CCCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000012465597 221198354 /nfs/dbraw/zinc/19/83/54/221198354.db2.gz VGFCMMZZEZPTBP-OAQYLSRUSA-N 2 0 383.580 3.247 50 0 GGAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012459095 221198861 /nfs/dbraw/zinc/19/88/61/221198861.db2.gz LQBRGOQHWJTWMX-NRFANRHFSA-N 2 0 386.536 3.373 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000012708945 221219248 /nfs/dbraw/zinc/21/92/48/221219248.db2.gz ONMAXKQTOBDCLJ-IBGZPJMESA-N 2 0 375.532 3.069 50 0 GGAARP Cc1ncsc1CC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012713386 221221047 /nfs/dbraw/zinc/22/10/47/221221047.db2.gz FGTUEBPUMQMJGJ-LJQANCHMSA-N 2 0 389.565 3.009 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000012587117 221211405 /nfs/dbraw/zinc/21/14/05/221211405.db2.gz XOJNCAJHZWQUDI-OAQYLSRUSA-N 2 0 386.536 3.375 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](CCCC(F)(F)F)CC1 ZINC000015079651 221333105 /nfs/dbraw/zinc/33/31/05/221333105.db2.gz WVJYPGPJOSLSTR-QGZVFWFLSA-N 2 0 377.495 3.422 50 0 GGAARP c1cc([C@H]2CCC[N@@H+](C3CCOCC3)C2)nc(SCC[NH+]2CCCC2)n1 ZINC000015001910 221326507 /nfs/dbraw/zinc/32/65/07/221326507.db2.gz SIGRKKNVKZBRCI-KRWDZBQOSA-N 2 0 376.570 3.023 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000015062846 221327442 /nfs/dbraw/zinc/32/74/42/221327442.db2.gz OMMHGMZLDDVMPJ-JOCHJYFZSA-N 2 0 383.580 3.247 50 0 GGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CC1CCOCC1)C1CCCCC1 ZINC000015069184 221330014 /nfs/dbraw/zinc/33/00/14/221330014.db2.gz CFQRLVALUDTLMN-JOCHJYFZSA-N 2 0 390.568 3.207 50 0 GGAARP O=C(NCCC[NH+]1CCCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016607293 221366292 /nfs/dbraw/zinc/36/62/92/221366292.db2.gz JNINMIMXIOPAPD-UHFFFAOYSA-N 2 0 375.532 3.420 50 0 GGAARP Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c2ccccc2[nH+]1 ZINC000072470347 136171078 /nfs/dbraw/zinc/17/10/78/136171078.db2.gz KVFIYTSVTKZKTQ-OAQYLSRUSA-N 2 0 396.579 3.289 50 0 GGAARP Cc1nc2sccc2c(N2CCC([NH2+]CCNc3cc[nH+]cc3C)CC2)n1 ZINC000095512788 136180625 /nfs/dbraw/zinc/18/06/25/136180625.db2.gz BXPLEZYZVLXKGX-UHFFFAOYSA-N 2 0 382.537 3.374 50 0 GGAARP CCC[NH+]1CCC2(CC1)CC[N@@H+](C1CCN(c3ccccc3)CC1)C[C@@H]2CO ZINC000097347004 136188480 /nfs/dbraw/zinc/18/84/80/136188480.db2.gz BTKRBTDWFVYHST-OAQYLSRUSA-N 2 0 385.596 3.462 50 0 GGAARP Cc1ccc(C2(C[N@@H+]3CCC[C@@H](C(=O)c4cccnc4)C3)CC[NH2+]CC2)nc1 ZINC000065461037 222130151 /nfs/dbraw/zinc/13/01/51/222130151.db2.gz RRLVRNRFVPWKQU-HXUWFJFHSA-N 2 0 378.520 3.001 50 0 GGAARP CC(C)=CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071388569 222183971 /nfs/dbraw/zinc/18/39/71/222183971.db2.gz VRVQVDRLULAAAE-HXUWFJFHSA-N 2 0 384.568 3.231 50 0 GGAARP CC(C)CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071551868 222185894 /nfs/dbraw/zinc/18/58/94/222185894.db2.gz OKTKEMDTUKOIED-OAQYLSRUSA-N 2 0 386.584 3.310 50 0 GGAARP C[NH+]1CCC(Oc2ccccc2NC(=O)c2ccccc2[C@H]2CC[NH2+]C2)CC1 ZINC000072156175 222212550 /nfs/dbraw/zinc/21/25/50/222212550.db2.gz ABTBKZXAYNDXMM-KRWDZBQOSA-N 2 0 379.504 3.489 50 0 GGAARP C[C@H](CNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1)C[NH+](C)C ZINC000072478928 222266590 /nfs/dbraw/zinc/26/65/90/222266590.db2.gz MJNDKWYQMAEJSF-MRXNPFEDSA-N 2 0 387.959 3.409 50 0 GGAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH+](C)CC2 ZINC000072478324 222266649 /nfs/dbraw/zinc/26/66/49/222266649.db2.gz KCTASHWBZOLWAE-NRFANRHFSA-N 2 0 385.552 3.080 50 0 GGAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH+](C)CC2 ZINC000072478323 222267471 /nfs/dbraw/zinc/26/74/71/222267471.db2.gz KCTASHWBZOLWAE-OAQYLSRUSA-N 2 0 385.552 3.080 50 0 GGAARP C[N@@H+]1CC[C@H](CNc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072411531 222256626 /nfs/dbraw/zinc/25/66/26/222256626.db2.gz JSOITIGURDKIHX-MRXNPFEDSA-N 2 0 385.943 3.163 50 0 GGAARP Clc1ccccc1C1(c2ccnc(NCC[NH+]3CCCC3)n2)CC[NH2+]CC1 ZINC000072423199 222258197 /nfs/dbraw/zinc/25/81/97/222258197.db2.gz BEKBQTYQFGOJKC-UHFFFAOYSA-N 2 0 385.943 3.307 50 0 GGAARP CC(C)CN(Cc1ccccc1Cl)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072456933 222262619 /nfs/dbraw/zinc/26/26/19/222262619.db2.gz QJFHAGOPOXUQNS-LJQANCHMSA-N 2 0 377.960 3.399 50 0 GGAARP CSc1cccc(C[NH+]2CCC3(CN(CCC[NH+](C)C)C(=O)O3)CC2)c1 ZINC000072448064 222262851 /nfs/dbraw/zinc/26/28/51/222262851.db2.gz ASFHPPWLMUELKA-UHFFFAOYSA-N 2 0 377.554 3.147 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1CC=CC1 ZINC000095518291 222345226 /nfs/dbraw/zinc/34/52/26/222345226.db2.gz DSKQFNZWPFJABY-IBGZPJMESA-N 2 0 387.543 3.394 50 0 GGAARP Cc1ccc2c(cc(C[NH+]3CCC4(CCC(=O)N(CC[NH+](C)C)C4)CC3)n2C)c1 ZINC000095501890 222333974 /nfs/dbraw/zinc/33/39/74/222333974.db2.gz JSFSKZWLBFONNE-UHFFFAOYSA-N 2 0 396.579 3.253 50 0 GGAARP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095504117 222336293 /nfs/dbraw/zinc/33/62/93/222336293.db2.gz HRLSIIPMWRABKO-LJQANCHMSA-N 2 0 388.508 3.064 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1CCC1 ZINC000095505928 222338198 /nfs/dbraw/zinc/33/81/98/222338198.db2.gz QBVQXZWMTKSOSZ-SFHVURJKSA-N 2 0 375.532 3.228 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc[nH]1 ZINC000095505332 222339639 /nfs/dbraw/zinc/33/96/39/222339639.db2.gz XEZAKLRQDJWHPE-GOSISDBHSA-N 2 0 386.515 3.070 50 0 GGAARP O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000077470263 222283965 /nfs/dbraw/zinc/28/39/65/222283965.db2.gz XBZTZPZFGANIFN-GOSISDBHSA-N 2 0 375.944 3.154 50 0 GGAARP COCC[N@H+](C)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095524509 222348851 /nfs/dbraw/zinc/34/88/51/222348851.db2.gz WSQUNZUCOMBUJB-IBGZPJMESA-N 2 0 384.948 3.034 50 0 GGAARP COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095526690 222350597 /nfs/dbraw/zinc/35/05/97/222350597.db2.gz KWSTVXHDZXRLHH-OAQYLSRUSA-N 2 0 388.552 3.463 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccoc1 ZINC000095529985 222353591 /nfs/dbraw/zinc/35/35/91/222353591.db2.gz XMEMOJOAZCAZDL-SFHVURJKSA-N 2 0 387.499 3.335 50 0 GGAARP O=C(c1ccnnc1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095521782 222345973 /nfs/dbraw/zinc/34/59/73/222345973.db2.gz LBHPFENRFBPOSI-HXUWFJFHSA-N 2 0 399.583 3.059 50 0 GGAARP C[NH+]1CCC(N(Cc2cccnc2)C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000019799350 570220241 /nfs/dbraw/zinc/22/02/41/570220241.db2.gz LARWEEVGOWFEHG-SFHVURJKSA-N 2 0 384.549 3.304 50 0 GGAARP COc1cccc(C[NH+]2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000019888921 570227402 /nfs/dbraw/zinc/22/74/02/570227402.db2.gz AJEBQKJTWVZZFK-UHFFFAOYSA-N 2 0 379.548 3.477 50 0 GGAARP CSCCC[N@@H+]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)[C@H](CO)C1 ZINC000097346765 570242889 /nfs/dbraw/zinc/24/28/89/570242889.db2.gz VFIVBIUDECDBBF-IBGZPJMESA-N 2 0 380.573 3.475 50 0 GGAARP CSCCC[N@@H+]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)[C@@H](CO)C1 ZINC000097346767 570242992 /nfs/dbraw/zinc/24/29/92/570242992.db2.gz VFIVBIUDECDBBF-LJQANCHMSA-N 2 0 380.573 3.475 50 0 GGAARP Cc1n[nH]c(C)c1C[N@@H+]1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@H](CO)C1 ZINC000097436967 570243780 /nfs/dbraw/zinc/24/37/80/570243780.db2.gz JBRBZLLNPHZZKV-NRFANRHFSA-N 2 0 382.552 3.123 50 0 GGAARP Cc1nc(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)sc1C ZINC000020210281 570248277 /nfs/dbraw/zinc/24/82/77/570248277.db2.gz MHWZLDHRCDMCHH-SFHVURJKSA-N 2 0 392.613 3.003 50 0 GGAARP C[C@@H](c1ccc(C(=O)N2CCC([NH+]3CCSCC3)CC2)o1)[NH+]1CCCCC1 ZINC000097713633 570250425 /nfs/dbraw/zinc/25/04/25/570250425.db2.gz NPALPLACUURZTJ-KRWDZBQOSA-N 2 0 391.581 3.480 50 0 GGAARP CSc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104428135 570258305 /nfs/dbraw/zinc/25/83/05/570258305.db2.gz LJPVWKNHGKJVHE-OAQYLSRUSA-N 2 0 391.625 3.150 50 0 GGAARP O=C(CCC1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1)Nc1ccc(F)c(Cl)c1 ZINC000102798282 570292546 /nfs/dbraw/zinc/29/25/46/570292546.db2.gz LGDULROCRPUNKS-FVQHAEBGSA-N 2 0 379.907 3.375 50 0 GGAARP C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000215962253 570293937 /nfs/dbraw/zinc/29/39/37/570293937.db2.gz IDNJIKWFCAVGGQ-OAQYLSRUSA-N 2 0 385.531 3.003 50 0 GGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1ccncc1)C1CCCCC1 ZINC000023338599 570355356 /nfs/dbraw/zinc/35/53/56/570355356.db2.gz NTXLPTMUWSEERL-HSZRJFAPSA-N 2 0 397.563 3.418 50 0 GGAARP CC(C)C[C@@H](C)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000023339103 570355366 /nfs/dbraw/zinc/35/53/66/570355366.db2.gz MJUMLCITDIZVQT-LJQANCHMSA-N 2 0 386.584 3.309 50 0 GGAARP CC(C)C[C@H](C)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000023339105 570355385 /nfs/dbraw/zinc/35/53/85/570355385.db2.gz MJUMLCITDIZVQT-IBGZPJMESA-N 2 0 386.584 3.309 50 0 GGAARP O=C(NC1CCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000023340141 570355882 /nfs/dbraw/zinc/35/58/82/570355882.db2.gz WEVVMQJXNUVDNL-NRFANRHFSA-N 2 0 395.591 3.389 50 0 GGAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]C3CCCCCC3)C[C@H]2C(=O)NC(C)C)CC1 ZINC000023362931 570356728 /nfs/dbraw/zinc/35/67/28/570356728.db2.gz IHOQLTFSMPKAJR-IRLDBZIGSA-N 2 0 392.632 3.141 50 0 GGAARP Cc1ccc(N2C(=O)C[C@@H]([NH2+]CC3CC[NH+](Cc4cccs4)CC3)C2=O)cc1 ZINC000004784515 570405641 /nfs/dbraw/zinc/40/56/41/570405641.db2.gz NFVRFWTVWBNJJY-HXUWFJFHSA-N 2 0 397.544 3.190 50 0 GGAARP Cc1cccc(-c2ncc(C[NH+]3CCC(CO)(C[NH+]4CCCC4)CC3)cn2)c1 ZINC000223430451 570465886 /nfs/dbraw/zinc/46/58/86/570465886.db2.gz ZSDDBTGYUZXGOH-UHFFFAOYSA-N 2 0 380.536 3.122 50 0 GGAARP CC[NH+]1CCC(N2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019228861 570964347 /nfs/dbraw/zinc/96/43/47/570964347.db2.gz MKHGIGNYXPVHIR-QFIPXVFZSA-N 2 0 391.003 3.411 50 0 GGAARP CCn1cc(CN2CCC[C@@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)c(C)n1 ZINC000011817021 570979933 /nfs/dbraw/zinc/97/99/33/570979933.db2.gz GEBIAQIZUTULGH-OAQYLSRUSA-N 2 0 392.507 3.309 50 0 GGAARP CSc1ccccc1C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091586987 571016039 /nfs/dbraw/zinc/01/60/39/571016039.db2.gz LOFJZTHQAPNQMT-UHFFFAOYSA-N 2 0 375.582 3.175 50 0 GGAARP CN(CC1CC1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091644009 571021397 /nfs/dbraw/zinc/02/13/97/571021397.db2.gz FXKQZVXFRALJGO-QFIPXVFZSA-N 2 0 395.591 3.199 50 0 GGAARP Cc1c(F)cccc1C[NH+]1CCC2(CCC(=O)N(CCC[NH+](C)C)C2)CC1 ZINC000091650399 571022630 /nfs/dbraw/zinc/02/26/30/571022630.db2.gz FHUAXFMNLAHWJR-UHFFFAOYSA-N 2 0 375.532 3.290 50 0 GGAARP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000092037891 571042060 /nfs/dbraw/zinc/04/20/60/571042060.db2.gz PCHDNJIYHJBNKZ-QFIPXVFZSA-N 2 0 377.532 3.487 50 0 GGAARP O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095376211 571064836 /nfs/dbraw/zinc/06/48/36/571064836.db2.gz SBBLXMLFUADDDX-OAQYLSRUSA-N 2 0 381.520 3.097 50 0 GGAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccccc2OC)CC1 ZINC000011817060 1399013736 /nfs/dbraw/zinc/01/37/36/1399013736.db2.gz FPOOGZMANSUZCK-UHFFFAOYSA-N 2 0 383.536 3.451 50 0 GGAARP O[C@@H](COc1cccc(C[NH2+]CCc2cscn2)c1)C[NH+]1CCCCCC1 ZINC000011946027 1399019293 /nfs/dbraw/zinc/01/92/93/1399019293.db2.gz JKUWDOSVPCVPDC-HXUWFJFHSA-N 2 0 389.565 3.091 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CC1CCCC1 ZINC000012058498 1399025986 /nfs/dbraw/zinc/02/59/86/1399025986.db2.gz NCWWNRZNKNIFJF-QFIPXVFZSA-N 2 0 393.616 3.238 50 0 GGAARP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(-n4nc(C)cc4C)c3)C2)C1 ZINC000012073373 1399027186 /nfs/dbraw/zinc/02/71/86/1399027186.db2.gz RZCRLUOXDCEXDT-HSZRJFAPSA-N 2 0 382.552 3.423 50 0 GGAARP CC(=O)N1CCC([N@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)CC1 ZINC000012076140 1399027328 /nfs/dbraw/zinc/02/73/28/1399027328.db2.gz QJQOFWIXDMGJSD-UHFFFAOYSA-N 2 0 375.532 3.023 50 0 GGAARP O=C1CC[N@H+](Cc2cccc(-c3ccco3)c2)CCN1CC[NH+]1CCCCC1 ZINC000012077906 1399027374 /nfs/dbraw/zinc/02/73/74/1399027374.db2.gz IOEFVSSZTDXHST-UHFFFAOYSA-N 2 0 381.520 3.467 50 0 GGAARP O[C@H](COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[NH+]1CCSCC1 ZINC000012201678 1399033640 /nfs/dbraw/zinc/03/36/40/1399033640.db2.gz MYIGETUDNRDZKZ-NRFANRHFSA-N 2 0 398.572 3.254 50 0 GGAARP COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012716630 1399055601 /nfs/dbraw/zinc/05/56/01/1399055601.db2.gz NNFBFZBSFPTNAI-NRFANRHFSA-N 2 0 396.531 3.310 50 0 GGAARP COc1cc(C[NH2+]CCSC)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000014970363 1399129836 /nfs/dbraw/zinc/12/98/36/1399129836.db2.gz IHOJGGFVUNBPNO-LJQANCHMSA-N 2 0 396.597 3.152 50 0 GGAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)C2CSCCSC2)CC1 ZINC000020389534 1399345745 /nfs/dbraw/zinc/34/57/45/1399345745.db2.gz SEQJQCPQJRMIRC-UHFFFAOYSA-N 2 0 395.638 3.091 50 0 GGAARP Cc1ccc(-c2ccccc2C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)o1 ZINC000020919947 1399357509 /nfs/dbraw/zinc/35/75/09/1399357509.db2.gz FMOSXFOWKJMAJY-QFIPXVFZSA-N 2 0 397.563 3.218 50 0 GGAARP Cc1ccc(OCCC[N@@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cc1 ZINC000020917201 1399357644 /nfs/dbraw/zinc/35/76/44/1399357644.db2.gz ZJOFRVLBIHNZKX-PKTZIBPZSA-N 2 0 380.532 3.433 50 0 GGAARP Oc1cccc(C2CC[NH+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)c1 ZINC000023619010 1399575300 /nfs/dbraw/zinc/57/53/00/1399575300.db2.gz KZZKNRNNNLXDGN-PKTZIBPZSA-N 2 0 378.516 3.309 50 0 GGAARP CC(C)(C)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCC3)s2)C[C@H]1CCO ZINC000104466266 1410897065 /nfs/dbraw/zinc/89/70/65/1410897065.db2.gz RTVIDEQEWKEZPF-GOSISDBHSA-N 2 0 379.614 3.259 50 0 GGAARP C[C@@]1(O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000000710735 203849290 /nfs/dbraw/zinc/84/92/90/203849290.db2.gz UYCDKYYLWWFWGU-FQEVSTJZSA-N 2 0 381.561 3.136 50 0 GGAARP CC1(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000004143345 204029546 /nfs/dbraw/zinc/02/95/46/204029546.db2.gz GOJOVSYIGHASEI-UHFFFAOYSA-N 2 0 396.572 3.471 50 0 GGAARP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000011817084 204354127 /nfs/dbraw/zinc/35/41/27/204354127.db2.gz YRLCHNLMVVGFER-JOCHJYFZSA-N 2 0 389.559 3.413 50 0 GGAARP Cc1ccccc1C[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000011839656 204355621 /nfs/dbraw/zinc/35/56/21/204355621.db2.gz TUAOBCRSJLHLDA-NRFANRHFSA-N 2 0 386.561 3.073 50 0 GGAARP COC1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000011839461 204356157 /nfs/dbraw/zinc/35/61/57/204356157.db2.gz KTYMQXAUHPKSCN-QFIPXVFZSA-N 2 0 398.547 3.169 50 0 GGAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(N4CCNC4=O)cc3)CC2)o1 ZINC000011841574 204356783 /nfs/dbraw/zinc/35/67/83/204356783.db2.gz SPLFLLMLQZECFZ-UHFFFAOYSA-N 2 0 396.535 3.462 50 0 GGAARP CCc1ccc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCC[N@H+]3CC)CC2)o1 ZINC000011842567 204356849 /nfs/dbraw/zinc/35/68/49/204356849.db2.gz TWRBFUUKXYGEKM-LJQANCHMSA-N 2 0 375.557 3.435 50 0 GGAARP CCc1ccc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCC[N@H+]3CC)CC2)o1 ZINC000011842566 204357570 /nfs/dbraw/zinc/35/75/70/204357570.db2.gz TWRBFUUKXYGEKM-IBGZPJMESA-N 2 0 375.557 3.435 50 0 GGAARP COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011874383 204359092 /nfs/dbraw/zinc/35/90/92/204359092.db2.gz SNKYRGTXBKWPKE-QFIPXVFZSA-N 2 0 398.547 3.253 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3F)C2)CC1 ZINC000011873119 204360049 /nfs/dbraw/zinc/36/00/49/204360049.db2.gz QSXKBRZYURBISY-LJQANCHMSA-N 2 0 375.532 3.069 50 0 GGAARP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000011938046 204365123 /nfs/dbraw/zinc/36/51/23/204365123.db2.gz MTMLEPYTSCIXEB-NRFANRHFSA-N 2 0 398.595 3.455 50 0 GGAARP CC(C)CN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011996812 204366460 /nfs/dbraw/zinc/36/64/60/204366460.db2.gz OOXJGQFOKSOYIK-QFIPXVFZSA-N 2 0 397.607 3.445 50 0 GGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCc1cccnc1)C1CCCCC1 ZINC000012205431 204382737 /nfs/dbraw/zinc/38/27/37/204382737.db2.gz HWBLTWUAFKBBDG-QHCPKHFHSA-N 2 0 397.563 3.418 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012210472 204383619 /nfs/dbraw/zinc/38/36/19/204383619.db2.gz HEIGSLIIMUVORG-GOSISDBHSA-N 2 0 392.565 3.435 50 0 GGAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000012300444 204390626 /nfs/dbraw/zinc/39/06/26/204390626.db2.gz HEQUFHPHWHMJRJ-HSZRJFAPSA-N 2 0 398.547 3.075 50 0 GGAARP OCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012298668 204390674 /nfs/dbraw/zinc/39/06/74/204390674.db2.gz NZFDUYQVLLQNIT-FQEVSTJZSA-N 2 0 376.541 3.408 50 0 GGAARP C[N@H+](Cc1cccnc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012318931 204395201 /nfs/dbraw/zinc/39/52/01/204395201.db2.gz CKGRQOJGCSYFCV-QFIPXVFZSA-N 2 0 383.536 3.329 50 0 GGAARP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000067614183 205251103 /nfs/dbraw/zinc/25/11/03/205251103.db2.gz ABGIGPGFKSEPBV-UHFFFAOYSA-N 2 0 378.520 3.287 50 0 GGAARP CC(C)(C)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067818526 205263045 /nfs/dbraw/zinc/26/30/45/205263045.db2.gz QZIFCAPHPOFGKY-IBGZPJMESA-N 2 0 386.584 3.310 50 0 GGAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1)N1CCCC1 ZINC000071712237 205288071 /nfs/dbraw/zinc/28/80/71/205288071.db2.gz WNNWJMNFRCRJKE-QFIPXVFZSA-N 2 0 383.580 3.418 50 0 GGAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000071752902 205292139 /nfs/dbraw/zinc/29/21/39/205292139.db2.gz PQNNXBFUMUZRFN-QGZVFWFLSA-N 2 0 378.520 3.194 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000071762019 205293377 /nfs/dbraw/zinc/29/33/77/205293377.db2.gz HXANUSBHYBPGJB-SFHVURJKSA-N 2 0 397.567 3.106 50 0 GGAARP CC(C)=CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071763864 205294962 /nfs/dbraw/zinc/29/49/62/205294962.db2.gz KSUUNHQQWAPISX-NRFANRHFSA-N 2 0 384.568 3.231 50 0 GGAARP COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2)c1 ZINC000072163940 205314899 /nfs/dbraw/zinc/31/48/99/205314899.db2.gz OUFUNVANEVIGMY-OAQYLSRUSA-N 2 0 385.487 3.007 50 0 GGAARP CC(C)CN(Cc1ccccc1Cl)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072456931 205352043 /nfs/dbraw/zinc/35/20/43/205352043.db2.gz QJFHAGOPOXUQNS-IBGZPJMESA-N 2 0 377.960 3.399 50 0 GGAARP O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000077470264 205364062 /nfs/dbraw/zinc/36/40/62/205364062.db2.gz XBZTZPZFGANIFN-SFHVURJKSA-N 2 0 375.944 3.154 50 0 GGAARP [NH3+]C1CCC([NH+]2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)CC1 ZINC000077516069 205363871 /nfs/dbraw/zinc/36/38/71/205363871.db2.gz ZCXRVZUYWGCYDV-UHFFFAOYSA-N 2 0 375.944 3.424 50 0 GGAARP COCC[NH+]1CCC(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299772435 206188063 /nfs/dbraw/zinc/18/80/63/206188063.db2.gz XTZKEUFPKGASBK-ZRBLBEILSA-N 2 0 399.579 3.029 50 0 GGAARP O=C(c1ccc(C[NH+]2CCc3ccccc3C2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299776254 206189110 /nfs/dbraw/zinc/18/91/10/206189110.db2.gz MNTWVOUIMWZXRQ-HSZRJFAPSA-N 2 0 375.516 3.165 50 0 GGAARP C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C1CC[NH+](C)CC1)CCO2 ZINC000299802630 206193538 /nfs/dbraw/zinc/19/35/38/206193538.db2.gz UCSSTZVFFRKTCH-UHFFFAOYSA-N 2 0 394.563 3.045 50 0 GGAARP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000011814841 221127720 /nfs/dbraw/zinc/12/77/20/221127720.db2.gz IWTBCWRYMGONNF-OAQYLSRUSA-N 2 0 375.532 3.023 50 0 GGAARP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000011814842 221128371 /nfs/dbraw/zinc/12/83/71/221128371.db2.gz IWTBCWRYMGONNF-NRFANRHFSA-N 2 0 375.532 3.023 50 0 GGAARP CCCC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012075346 221148839 /nfs/dbraw/zinc/14/88/39/221148839.db2.gz OBSZZEINFWONHC-NRFANRHFSA-N 2 0 386.536 3.457 50 0 GGAARP C[C@@H](c1ccc(-c2cc(N3CC[NH+](C)CC3)nc(N)n2)cc1)[NH+]1CCCCC1 ZINC000097766325 136188650 /nfs/dbraw/zinc/18/86/50/136188650.db2.gz XZMSHWUCWWBTAK-KRWDZBQOSA-N 2 0 380.540 3.025 50 0 GGAARP C[C@H](c1ccc(-c2cc(N3CC[NH+](C)CC3)nc(N)n2)cc1)[NH+]1CCCCC1 ZINC000097766327 136188691 /nfs/dbraw/zinc/18/86/91/136188691.db2.gz XZMSHWUCWWBTAK-QGZVFWFLSA-N 2 0 380.540 3.025 50 0 GGAARP Cc1cccc(C[N@@H+]2CCN(c3cc(C)[nH+]c4ccccc43)C[C@H]2CCO)n1 ZINC000106959354 136196982 /nfs/dbraw/zinc/19/69/82/136196982.db2.gz ZCCRWOYQUUJOBX-HXUWFJFHSA-N 2 0 376.504 3.320 50 0 GGAARP O[C@H]1[C@H]([NH2+]CCc2nc3ccccc3s2)c2ccccc2C12CC[NH2+]CC2 ZINC000072477829 222267104 /nfs/dbraw/zinc/26/71/04/222267104.db2.gz MBOBWOGDDWYYBA-RTWAWAEBSA-N 2 0 379.529 3.165 50 0 GGAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ccc(Cl)cc1)CC[NH+](C)CC2 ZINC000072476170 222264180 /nfs/dbraw/zinc/26/41/80/222264180.db2.gz BVIOWIOAAXJWGX-LJQANCHMSA-N 2 0 377.960 3.195 50 0 GGAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cn(CCO)nc3C)CC2)C1 ZINC000096138836 570212700 /nfs/dbraw/zinc/21/27/00/570212700.db2.gz WJWHQDNFDRYXTQ-JOCHJYFZSA-N 2 0 396.579 3.275 50 0 GGAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cn(CCO)nc3C)CC2)C1 ZINC000096138837 570212734 /nfs/dbraw/zinc/21/27/34/570212734.db2.gz WJWHQDNFDRYXTQ-QFIPXVFZSA-N 2 0 396.579 3.275 50 0 GGAARP C[NH+]1CCC(N(Cc2cccnc2)C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000019799353 570220263 /nfs/dbraw/zinc/22/02/63/570220263.db2.gz LARWEEVGOWFEHG-GOSISDBHSA-N 2 0 384.549 3.304 50 0 GGAARP OCC[NH+]1CCN(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000019907671 570229359 /nfs/dbraw/zinc/22/93/59/570229359.db2.gz DCGYPOGDZYVXKW-UHFFFAOYSA-N 2 0 395.547 3.053 50 0 GGAARP COc1cc(C[N@@H+]2CCC3(CC[NH+](CC4CC4)CC3)[C@H](CO)C2)ccc1F ZINC000097217674 570238861 /nfs/dbraw/zinc/23/88/61/570238861.db2.gz QENFQFYHALZWJG-IBGZPJMESA-N 2 0 376.516 3.141 50 0 GGAARP OC[C@H]1C[N@H+](Cc2ccc(Cl)o2)CCC12CC[NH+](C1CCOCC1)CC2 ZINC000097437013 570243958 /nfs/dbraw/zinc/24/39/58/570243958.db2.gz SFFPGFHGOBNTSU-MRXNPFEDSA-N 2 0 382.932 3.008 50 0 GGAARP Cc1cccc(OCCC[N@@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000020206429 570247936 /nfs/dbraw/zinc/24/79/36/570247936.db2.gz LRDXOKFWFDXEOQ-PKTZIBPZSA-N 2 0 380.532 3.433 50 0 GGAARP Cn1cc(C[NH2+]CC2(N3CC[NH+](C)CC3)CCCCC2)c(-c2ccccc2F)n1 ZINC000020600733 570270031 /nfs/dbraw/zinc/27/00/31/570270031.db2.gz QFFKCZYCMQJCFV-UHFFFAOYSA-N 2 0 399.558 3.266 50 0 GGAARP C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000215962208 570293921 /nfs/dbraw/zinc/29/39/21/570293921.db2.gz IDNJIKWFCAVGGQ-NRFANRHFSA-N 2 0 385.531 3.003 50 0 GGAARP O=C(NC[C@@H]1CCC[NH2+]1)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000219660082 570372532 /nfs/dbraw/zinc/37/25/32/570372532.db2.gz ZJYBEJUOPPYFNX-QFIPXVFZSA-N 2 0 377.532 3.089 50 0 GGAARP C[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000051759337 570410206 /nfs/dbraw/zinc/41/02/06/570410206.db2.gz WWPHKUNMGCGTIP-GOSISDBHSA-N 2 0 398.595 3.484 50 0 GGAARP CC(C)[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])CC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000243893383 570432693 /nfs/dbraw/zinc/43/26/93/570432693.db2.gz AQSJBMKWRXQKQH-JRGCBEDISA-N 2 0 375.532 3.402 50 0 GGAARP CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000012432075 570660042 /nfs/dbraw/zinc/66/00/42/570660042.db2.gz HPDCKAMYYZXVNI-HXUWFJFHSA-N 2 0 389.559 3.271 50 0 GGAARP C[C@H](CC1(C)CC1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012435914 570662152 /nfs/dbraw/zinc/66/21/52/570662152.db2.gz DWWIGAVPVFMZJU-LJQANCHMSA-N 2 0 398.595 3.453 50 0 GGAARP CC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012440907 570664398 /nfs/dbraw/zinc/66/43/98/570664398.db2.gz IKACTZRJXREWJK-OAHLLOKOSA-N 2 0 381.948 3.273 50 0 GGAARP CCC(CC)C[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012442455 570665096 /nfs/dbraw/zinc/66/50/96/570665096.db2.gz AIHHGPMNKNAWCD-UHFFFAOYSA-N 2 0 386.584 3.310 50 0 GGAARP CCOCCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012457980 570669649 /nfs/dbraw/zinc/66/96/49/570669649.db2.gz VONAYUUDUFKBMZ-QFIPXVFZSA-N 2 0 386.536 3.075 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cccnc1 ZINC000012592533 570687627 /nfs/dbraw/zinc/68/76/27/570687627.db2.gz VCGOUFZUTFNKEH-LJQANCHMSA-N 2 0 398.526 3.137 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000012708940 570701440 /nfs/dbraw/zinc/70/14/40/570701440.db2.gz ONMAXKQTOBDCLJ-LJQANCHMSA-N 2 0 375.532 3.069 50 0 GGAARP Cc1ncsc1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012713381 570703155 /nfs/dbraw/zinc/70/31/55/570703155.db2.gz FGTUEBPUMQMJGJ-IBGZPJMESA-N 2 0 389.565 3.009 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2ccccc2)cc1OC ZINC000015073838 570723812 /nfs/dbraw/zinc/72/38/12/570723812.db2.gz QYUARMILAOAQPB-OAQYLSRUSA-N 2 0 386.536 3.109 50 0 GGAARP COc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000015073692 570723829 /nfs/dbraw/zinc/72/38/29/570723829.db2.gz JCLZMUGYXKOZBL-OAQYLSRUSA-N 2 0 384.520 3.211 50 0 GGAARP CC[NH+](CC)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000014970689 570867903 /nfs/dbraw/zinc/86/79/03/570867903.db2.gz ISYFTYHAXCRJSW-NRFANRHFSA-N 2 0 386.536 3.409 50 0 GGAARP CC[NH+](CC)Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000014970693 570867941 /nfs/dbraw/zinc/86/79/41/570867941.db2.gz ISYFTYHAXCRJSW-OAQYLSRUSA-N 2 0 386.536 3.409 50 0 GGAARP CC(=O)c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000014970516 570868011 /nfs/dbraw/zinc/86/80/11/570868011.db2.gz OFTUKLMGIIKLGD-FQEVSTJZSA-N 2 0 399.579 3.434 50 0 GGAARP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2ccco2)CC1 ZINC000014979523 570869377 /nfs/dbraw/zinc/86/93/77/570869377.db2.gz WGNQATMZCQZIAT-UHFFFAOYSA-N 2 0 389.569 3.366 50 0 GGAARP COc1ccc(C[NH2+]CCSC)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012586699 570882299 /nfs/dbraw/zinc/88/22/99/570882299.db2.gz KMNNFLHTGUXDRE-LJQANCHMSA-N 2 0 396.597 3.154 50 0 GGAARP CC(C)N(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000019223310 570963158 /nfs/dbraw/zinc/96/31/58/570963158.db2.gz VMNOTYFZCHOOCG-OAQYLSRUSA-N 2 0 383.580 3.197 50 0 GGAARP Cn1cc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000019224447 570964165 /nfs/dbraw/zinc/96/41/65/570964165.db2.gz SRKUVUXTFZJBJM-OAQYLSRUSA-N 2 0 387.616 3.363 50 0 GGAARP CC[N@@H+](Cc1ccc2nsnc2c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000019336659 570976454 /nfs/dbraw/zinc/97/64/54/570976454.db2.gz VHVBKRRVPWCTJY-UHFFFAOYSA-N 2 0 387.597 3.319 50 0 GGAARP Cc1ccccc1-c1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1 ZINC000091644076 571021369 /nfs/dbraw/zinc/02/13/69/571021369.db2.gz KIZIKXLYTDVIRF-PKTZIBPZSA-N 2 0 380.532 3.353 50 0 GGAARP COCc1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091657351 571023750 /nfs/dbraw/zinc/02/37/50/571023750.db2.gz BPXASQQGXYWNGX-OAQYLSRUSA-N 2 0 380.536 3.325 50 0 GGAARP [NH3+][C@H]1CN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000091665872 571025523 /nfs/dbraw/zinc/02/55/23/571025523.db2.gz ADPWWFOAIIHGFP-PKTZIBPZSA-N 2 0 377.532 3.242 50 0 GGAARP O=C(N1CC[C@H]2C[NH2+]C[C@H]21)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000092038451 571042054 /nfs/dbraw/zinc/04/20/54/571042054.db2.gz ZQXHUMPPEAIENW-JTHBVZDNSA-N 2 0 389.543 3.041 50 0 GGAARP O=C1CCCN1CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095375398 571064111 /nfs/dbraw/zinc/06/41/11/571064111.db2.gz OXHKQURPDHUOGS-OAQYLSRUSA-N 2 0 381.564 3.343 50 0 GGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1sc(C)nc1C)C2 ZINC000095390952 571072632 /nfs/dbraw/zinc/07/26/32/571072632.db2.gz UVYUFNBUPVOJHN-SBHAEUEKSA-N 2 0 393.597 3.099 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc[nH]1 ZINC000095505333 571078522 /nfs/dbraw/zinc/07/85/22/571078522.db2.gz XEZAKLRQDJWHPE-SFHVURJKSA-N 2 0 386.515 3.070 50 0 GGAARP O[C@H](COc1cccc(C[NH+]2CCCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095518297 571085351 /nfs/dbraw/zinc/08/53/51/571085351.db2.gz SVIVRWZGPFZWJD-QHCPKHFHSA-N 2 0 380.532 3.471 50 0 GGAARP COc1ccc(C[N@H+](C)Cc2ccsc2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095522437 571088381 /nfs/dbraw/zinc/08/83/81/571088381.db2.gz WIWKVNRJQDFQHQ-LJQANCHMSA-N 2 0 390.549 3.224 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccncc1 ZINC000095524328 571089523 /nfs/dbraw/zinc/08/95/23/571089523.db2.gz LTFVQNBSABDWJY-IBGZPJMESA-N 2 0 398.526 3.137 50 0 GGAARP O[C@H](COc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095524590 571089622 /nfs/dbraw/zinc/08/96/22/571089622.db2.gz YLILJOKUPHZXFS-NRFANRHFSA-N 2 0 388.552 3.057 50 0 GGAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000095525596 571090754 /nfs/dbraw/zinc/09/07/54/571090754.db2.gz YVXNAWHJPNEOSW-UHFFFAOYSA-N 2 0 393.959 3.417 50 0 GGAARP COC1CC[NH+](Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)CC1 ZINC000012002235 1399023700 /nfs/dbraw/zinc/02/37/00/1399023700.db2.gz KRUBIYVZMVERSA-NRFANRHFSA-N 2 0 390.568 3.302 50 0 GGAARP CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H](O)C[NH+]2CCCCCC2)COC1 ZINC000012075381 1399027385 /nfs/dbraw/zinc/02/73/85/1399027385.db2.gz UBBNLOXASSMNMP-LJQANCHMSA-N 2 0 396.959 3.082 50 0 GGAARP O[C@H](COc1cccc(C[NH2+]C2CCCCCCC2)c1)C[NH+]1CCC(O)CC1 ZINC000012299450 1399036505 /nfs/dbraw/zinc/03/65/05/1399036505.db2.gz VHRRETWGDZPJAB-QFIPXVFZSA-N 2 0 390.568 3.086 50 0 GGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(OC)c2)C[C@@H]2CCCO2)CC1 ZINC000012586235 1399049011 /nfs/dbraw/zinc/04/90/11/1399049011.db2.gz AOSSDIHVVNSNJK-QFIPXVFZSA-N 2 0 376.541 3.035 50 0 GGAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000012596650 1399049592 /nfs/dbraw/zinc/04/95/92/1399049592.db2.gz QWANKXGDEKJYOX-UHFFFAOYSA-N 2 0 379.932 3.027 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012703697 1399054837 /nfs/dbraw/zinc/05/48/37/1399054837.db2.gz IPIHLUPDZBKACM-OAQYLSRUSA-N 2 0 386.536 3.373 50 0 GGAARP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)C[NH+]1CCCCC1 ZINC000012718976 1399055556 /nfs/dbraw/zinc/05/55/56/1399055556.db2.gz ZXXOXCZVPFHGPE-UHFFFAOYSA-N 2 0 375.532 3.025 50 0 GGAARP COc1cc(C[NH2+]CCSC)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000014970359 1399129401 /nfs/dbraw/zinc/12/94/01/1399129401.db2.gz IHOJGGFVUNBPNO-IBGZPJMESA-N 2 0 396.597 3.152 50 0 GGAARP CCOCCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000015077600 1399136565 /nfs/dbraw/zinc/13/65/65/1399136565.db2.gz QGSSNYIETXIJLY-HSZRJFAPSA-N 2 0 398.547 3.001 50 0 GGAARP O[C@H](COc1ccccc1C[NH2+]CCc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000015076340 1399136604 /nfs/dbraw/zinc/13/66/04/1399136604.db2.gz VEMQUDKAVVNAOR-QFIPXVFZSA-N 2 0 386.511 3.384 50 0 GGAARP OCC[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C1CCCC1 ZINC000019227700 1399328612 /nfs/dbraw/zinc/32/86/12/1399328612.db2.gz XCGYOAYIYBPZNC-XMMPIXPASA-N 2 0 385.596 3.005 50 0 GGAARP OCC[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C1CCCC1 ZINC000019227701 1399328754 /nfs/dbraw/zinc/32/87/54/1399328754.db2.gz XCGYOAYIYBPZNC-DEOSSOPVSA-N 2 0 385.596 3.005 50 0 GGAARP Cc1cccc(-c2ncc(C[N@H+]3CCC[C@H](N(C)CCC[NH+](C)C)C3)cn2)c1 ZINC000019633746 1399333296 /nfs/dbraw/zinc/33/32/96/1399333296.db2.gz GCRDYFDJQTWLKJ-QFIPXVFZSA-N 2 0 381.568 3.300 50 0 GGAARP Cc1[nH]c2ccccc2c1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000019840553 1399338517 /nfs/dbraw/zinc/33/85/17/1399338517.db2.gz DDXBZGSBIDZSIC-NRFANRHFSA-N 2 0 398.595 3.218 50 0 GGAARP Cc1ncc2c(c1-c1noc(C3CC[NH+](Cc4ccco4)CC3)n1)CC[NH2+]C2 ZINC000020201088 1399343444 /nfs/dbraw/zinc/34/34/44/1399343444.db2.gz KRAYFGXEXMOOSC-UHFFFAOYSA-N 2 0 379.464 3.058 50 0 GGAARP CN1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)Cc3ccccn3)CC2)CC1 ZINC000020208038 1399344606 /nfs/dbraw/zinc/34/46/06/1399344606.db2.gz BVFAUFIBLLMJQT-UHFFFAOYSA-N 2 0 393.579 3.285 50 0 GGAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CCc2cccnc2)c1)C1CCCCC1 ZINC000020455849 1399347457 /nfs/dbraw/zinc/34/74/57/1399347457.db2.gz IYWCRTZWRMYLSC-QHCPKHFHSA-N 2 0 397.563 3.418 50 0 GGAARP CC1(C)CC(OC(=O)/C=C\C(=O)OC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000100436228 1410437937 /nfs/dbraw/zinc/43/79/37/1410437937.db2.gz SNOYIYKTIUXTEF-KTKRTIGZSA-N 2 0 394.556 3.247 50 0 GGAARP CN(C(=O)c1cccc(-c2ccccc2OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000426668520 231250147 /nfs/dbraw/zinc/25/01/47/231250147.db2.gz ZGZFAMYNZMHKOI-HXUWFJFHSA-N 2 0 381.520 3.070 50 0 GGAARP CSc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000004691596 206542779 /nfs/dbraw/zinc/54/27/79/206542779.db2.gz SEHJVWRKRBJOCH-UHFFFAOYSA-N 2 0 377.598 3.325 50 0 GGAARP COc1ccc(Br)cc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000004987132 206579737 /nfs/dbraw/zinc/57/97/37/206579737.db2.gz GMNSPGINVRBYNN-UHFFFAOYSA-N 2 0 386.378 3.163 50 0 GGAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000012430284 206895657 /nfs/dbraw/zinc/89/56/57/206895657.db2.gz GFKOLNSWUVORLP-FQEVSTJZSA-N 2 0 396.579 3.231 50 0 GGAARP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2ccoc2)CC1 ZINC000014950913 207033111 /nfs/dbraw/zinc/03/31/11/207033111.db2.gz GUXRZRGOEJAXLV-UHFFFAOYSA-N 2 0 389.569 3.366 50 0 GGAARP CCC[NH+]1CCC([NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)CC1 ZINC000014950369 207033439 /nfs/dbraw/zinc/03/34/39/207033439.db2.gz VFYFEWNSLIXRAJ-UHFFFAOYSA-N 2 0 375.561 3.379 50 0 GGAARP C[C@@H](COc1ccccc1)[N@@H+]1CCOc2ccc(C[NH+]3CCC(O)CC3)cc2C1 ZINC000014997639 207040804 /nfs/dbraw/zinc/04/08/04/207040804.db2.gz RQARAWSOBRPRLV-IBGZPJMESA-N 2 0 396.531 3.305 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1=CCCCC1 ZINC000015077933 207045689 /nfs/dbraw/zinc/04/56/89/207045689.db2.gz OGCKQGXULIGXDJ-JOCHJYFZSA-N 2 0 391.600 3.158 50 0 GGAARP CCOCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000015077598 207045832 /nfs/dbraw/zinc/04/58/32/207045832.db2.gz QGSSNYIETXIJLY-QHCPKHFHSA-N 2 0 398.547 3.001 50 0 GGAARP COc1ccc(C[NH2+]CC2CC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015076411 207046736 /nfs/dbraw/zinc/04/67/36/207046736.db2.gz VQLVRESZMDERTF-HXUWFJFHSA-N 2 0 376.541 3.201 50 0 GGAARP COc1ccc(C[NH2+]CCSC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015066580 207041859 /nfs/dbraw/zinc/04/18/59/207041859.db2.gz WWNVCVQGZIKZNX-LJQANCHMSA-N 2 0 396.597 3.154 50 0 GGAARP COc1ccc(C[NH2+]CCSC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015066579 207043082 /nfs/dbraw/zinc/04/30/82/207043082.db2.gz WWNVCVQGZIKZNX-IBGZPJMESA-N 2 0 396.597 3.154 50 0 GGAARP COc1ccc(C[NH2+]CC2CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000015072576 207044277 /nfs/dbraw/zinc/04/42/77/207044277.db2.gz YMBBXGALHPJVBB-NRFANRHFSA-N 2 0 384.520 3.067 50 0 GGAARP Cc1ncc2c(c1-c1noc(C3(c4ccccc4)CC[NH+](C)CC3)n1)CC[NH2+]C2 ZINC000019595199 207144649 /nfs/dbraw/zinc/14/46/49/207144649.db2.gz KUKZFJYFNZVTMD-UHFFFAOYSA-N 2 0 389.503 3.097 50 0 GGAARP Cc1cc(C)cc(OCC[N@@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000019866521 207167673 /nfs/dbraw/zinc/16/76/73/207167673.db2.gz SLVFURBPXFIZRP-PKTZIBPZSA-N 2 0 380.532 3.351 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccc4[nH]ccc43)C2)CC1 ZINC000020202651 207182186 /nfs/dbraw/zinc/18/21/86/207182186.db2.gz KBJBNRSDGRQODF-LJQANCHMSA-N 2 0 382.552 3.369 50 0 GGAARP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020206683 207182674 /nfs/dbraw/zinc/18/26/74/207182674.db2.gz DBAXKAUFADUOOV-OAQYLSRUSA-N 2 0 383.580 3.199 50 0 GGAARP C[N@H+](CCSc1ccccc1)Cc1cccc(-c2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000023250923 207271857 /nfs/dbraw/zinc/27/18/57/207271857.db2.gz JSFQCEMZNBGMMP-UHFFFAOYSA-N 2 0 380.517 3.120 50 0 GGAARP O=C(NC1CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000023340138 207274179 /nfs/dbraw/zinc/27/41/79/207274179.db2.gz WEVVMQJXNUVDNL-OAQYLSRUSA-N 2 0 395.591 3.389 50 0 GGAARP OCC[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000023373116 207274521 /nfs/dbraw/zinc/27/45/21/207274521.db2.gz YWWKTFVQGJIDST-VWLOTQADSA-N 2 0 393.575 3.220 50 0 GGAARP OCC[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000023373114 207275531 /nfs/dbraw/zinc/27/55/31/207275531.db2.gz YWWKTFVQGJIDST-RUZDIDTESA-N 2 0 393.575 3.220 50 0 GGAARP c1cn(-c2cccc(C[NH+]3CCCCC3)c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072409092 208016034 /nfs/dbraw/zinc/01/60/34/208016034.db2.gz LGTUMVRDGQGPCX-UHFFFAOYSA-N 2 0 376.508 3.215 50 0 GGAARP c1csc(C[NH+]2CCC(n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)CC2)c1 ZINC000072419111 208018773 /nfs/dbraw/zinc/01/87/73/208018773.db2.gz AGCFTNKVWLRENE-UHFFFAOYSA-N 2 0 382.537 3.139 50 0 GGAARP C[N@@H+]1CC[C@@H](CNc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072411532 208019704 /nfs/dbraw/zinc/01/97/04/208019704.db2.gz JSOITIGURDKIHX-INIZCTEOSA-N 2 0 385.943 3.163 50 0 GGAARP CN(CCC[NH+](C)C)c1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072457843 208026812 /nfs/dbraw/zinc/02/68/12/208026812.db2.gz YGOPPMGWQALBRF-UHFFFAOYSA-N 2 0 387.959 3.187 50 0 GGAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000091460696 208121309 /nfs/dbraw/zinc/12/13/09/208121309.db2.gz GQPWZKSUNDOVPN-UHFFFAOYSA-N 2 0 380.536 3.001 50 0 GGAARP Cc1cc(N2CCCN(C(=O)c3ccc([C@@H]4CCC[NH2+]C4)cc3)CC2)cc[nH+]1 ZINC000095367149 208163858 /nfs/dbraw/zinc/16/38/58/208163858.db2.gz CVFDISVPIVBNIW-OAQYLSRUSA-N 2 0 378.520 3.210 50 0 GGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cc(C(C)C)no1)C2 ZINC000095377348 208170284 /nfs/dbraw/zinc/17/02/84/208170284.db2.gz PVLIBHHBAZIRAJ-KNKQGSTJSA-N 2 0 391.556 3.137 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1CCC1 ZINC000095505927 208207493 /nfs/dbraw/zinc/20/74/93/208207493.db2.gz QBVQXZWMTKSOSZ-GOSISDBHSA-N 2 0 375.532 3.228 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccco1 ZINC000095507699 208207664 /nfs/dbraw/zinc/20/76/64/208207664.db2.gz GCJXWBBSZKMEDT-SFHVURJKSA-N 2 0 387.499 3.335 50 0 GGAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000095498176 208197702 /nfs/dbraw/zinc/19/77/02/208197702.db2.gz RXSMKFZZUBSTFA-UHFFFAOYSA-N 2 0 381.923 3.245 50 0 GGAARP COc1ccc(/C=C/C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)cc1 ZINC000095500498 208201264 /nfs/dbraw/zinc/20/12/64/208201264.db2.gz IPJUIBJDUIRYTB-SHTLVRLNSA-N 2 0 397.563 3.117 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH+]2CCC(C)(C)CC2)cc1OC ZINC000095500659 208202006 /nfs/dbraw/zinc/20/20/06/208202006.db2.gz NDNBSRWYXBXNRK-IBGZPJMESA-N 2 0 378.557 3.399 50 0 GGAARP COc1cc(C[N@@H+]2CCCCC23CC3)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095510125 208211148 /nfs/dbraw/zinc/21/11/48/208211148.db2.gz HUTUNGWAKIPOQB-LJQANCHMSA-N 2 0 376.541 3.294 50 0 GGAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000095516671 208215709 /nfs/dbraw/zinc/21/57/09/208215709.db2.gz JYADJIUASAQVLL-FQEVSTJZSA-N 2 0 387.568 3.001 50 0 GGAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000095518540 208216942 /nfs/dbraw/zinc/21/69/42/208216942.db2.gz GRABWPZVVGEGJW-OAQYLSRUSA-N 2 0 387.568 3.144 50 0 GGAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000095516670 208218285 /nfs/dbraw/zinc/21/82/85/208218285.db2.gz JYADJIUASAQVLL-HXUWFJFHSA-N 2 0 387.568 3.001 50 0 GGAARP COc1cc(C[N@H+](C)C2CCSCC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095522179 208218999 /nfs/dbraw/zinc/21/89/99/208218999.db2.gz SZLSEUMAEQQLFG-IBGZPJMESA-N 2 0 396.597 3.103 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1(C)CC1 ZINC000095525886 208222281 /nfs/dbraw/zinc/22/22/81/208222281.db2.gz CYBAXNJYZAIJEY-SFHVURJKSA-N 2 0 375.532 3.228 50 0 GGAARP CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2Cl)CC1 ZINC000095528970 208228979 /nfs/dbraw/zinc/22/89/79/208228979.db2.gz UXKOSWFPIBHBLO-MRXNPFEDSA-N 2 0 393.959 3.403 50 0 GGAARP C[NH+]1CCC(Cc2nc([C@H]3CC[NH2+]C3)n(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000096148283 208273208 /nfs/dbraw/zinc/27/32/08/208273208.db2.gz WJALPRFZEVFVBH-AWEZNQCLSA-N 2 0 377.895 3.021 50 0 GGAARP C[NH+]1CCC(Cc2nc([C@@H]3CC[NH2+]C3)n(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000096148282 208274792 /nfs/dbraw/zinc/27/47/92/208274792.db2.gz WJALPRFZEVFVBH-CQSZACIVSA-N 2 0 377.895 3.021 50 0 GGAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)C1CC1 ZINC000096164210 208281822 /nfs/dbraw/zinc/28/18/22/208281822.db2.gz YSXNPRMBYJHXJE-UHFFFAOYSA-N 2 0 383.580 3.056 50 0 GGAARP C/C(=C\c1ccccc1)C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000096851486 208326086 /nfs/dbraw/zinc/32/60/86/208326086.db2.gz QSKZOQUYGOAFNE-QZPFXSPMSA-N 2 0 385.596 3.331 50 0 GGAARP OC[C@H]1C[N@H+](Cc2cccnc2)CCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000097360069 208353904 /nfs/dbraw/zinc/35/39/04/208353904.db2.gz ZMDQTMSCVQZIIH-OAQYLSRUSA-N 2 0 383.511 3.317 50 0 GGAARP C[C@H](c1ccc(C(=O)N2CCC([NH+]3CCSCC3)CC2)o1)[NH+]1CCCCC1 ZINC000097713634 208360709 /nfs/dbraw/zinc/36/07/09/208360709.db2.gz NPALPLACUURZTJ-QGZVFWFLSA-N 2 0 391.581 3.480 50 0 GGAARP OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC12CC[NH+](C1CCOCC1)CC2 ZINC000097785423 208364017 /nfs/dbraw/zinc/36/40/17/208364017.db2.gz FIDXHKXJMZMELL-LJQANCHMSA-N 2 0 392.971 3.415 50 0 GGAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299801842 209093473 /nfs/dbraw/zinc/09/34/73/209093473.db2.gz YLECKTWAYFEVIM-WWNPGLIZSA-N 2 0 390.531 3.264 50 0 GGAARP C[N@H+](Cc1ccc(OCCN2CC[NH2+]CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299788178 209089407 /nfs/dbraw/zinc/08/94/07/209089407.db2.gz XMCYLFFPFDKROQ-UHFFFAOYSA-N 2 0 390.531 3.151 50 0 GGAARP COc1ccccc1CC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012752895 221225334 /nfs/dbraw/zinc/22/53/34/221225334.db2.gz QWKHCDJGSKAXGE-JOCHJYFZSA-N 2 0 398.547 3.253 50 0 GGAARP COc1ccc(C[NH2+]C2CCCCCC2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000015062332 221327557 /nfs/dbraw/zinc/32/75/57/221327557.db2.gz RUMCFVOXWOTRMM-FQEVSTJZSA-N 2 0 376.541 3.343 50 0 GGAARP C[NH+]1CCC(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)CC1 ZINC000072406782 136169453 /nfs/dbraw/zinc/16/94/53/136169453.db2.gz KIOVMLHOHCVCAF-UHFFFAOYSA-N 2 0 379.552 3.406 50 0 GGAARP CNc1nc(N2CCC([N@H+](C)CCn3ccc4ccccc43)CC2)cc(C)[nH+]1 ZINC000095357676 136178127 /nfs/dbraw/zinc/17/81/27/136178127.db2.gz KHFKNYWRZANJJC-UHFFFAOYSA-N 2 0 378.524 3.382 50 0 GGAARP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@H]3Cc3ccc(F)cc3)CC2)nc(N)[nH+]1 ZINC000095367035 136178193 /nfs/dbraw/zinc/17/81/93/136178193.db2.gz NQBNAQQBETXERY-PXNSSMCTSA-N 2 0 383.515 3.476 50 0 GGAARP Cc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3F)CC2)nc(N)[nH+]1 ZINC000095375582 136178409 /nfs/dbraw/zinc/17/84/09/136178409.db2.gz VQDRNFMVUIRYKE-UHFFFAOYSA-N 2 0 383.393 3.284 50 0 GGAARP Cc1n[nH]c(C)c1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095370212 136178443 /nfs/dbraw/zinc/17/84/43/136178443.db2.gz HPLIDKYMCAYRMS-OAHLLOKOSA-N 2 0 383.544 3.045 50 0 GGAARP Cc1ccc2nc(CCC[NH2+]C3CCN(c4cc(C)[nH+]c(N)n4)CC3)oc2c1 ZINC000095386948 136178690 /nfs/dbraw/zinc/17/86/90/136178690.db2.gz YSNMXCQXCJJLNP-UHFFFAOYSA-N 2 0 380.496 3.008 50 0 GGAARP Cc1ccc(N2CCC([NH2+]Cc3cc4n(n3)CC[N@@H+](CC(C)C)C4)CC2)cc1 ZINC000095382030 136178692 /nfs/dbraw/zinc/17/86/92/136178692.db2.gz CWEOKEMYCWZCHI-UHFFFAOYSA-N 2 0 381.568 3.422 50 0 GGAARP CCc1cc(N2CCC([NH2+]Cc3ccncc3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000095525388 136181457 /nfs/dbraw/zinc/18/14/57/136181457.db2.gz KVIPCLXKNBHXHT-UHFFFAOYSA-N 2 0 380.540 3.101 50 0 GGAARP CCOCC1(C[NH2+]C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)CCC1 ZINC000095519268 535442787 /nfs/dbraw/zinc/44/27/87/535442787.db2.gz AKYXVRHABAPCIJ-UHFFFAOYSA-N 2 0 387.572 3.150 50 0 GGAARP CN(Cc1sc2ccccc2c1Cl)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072144011 564861844 /nfs/dbraw/zinc/86/18/44/564861844.db2.gz OQKXBQZCGOMEJU-AWEZNQCLSA-N 2 0 377.941 3.245 50 0 GGAARP C/C(=C\c1ccccc1)C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000105281521 570260805 /nfs/dbraw/zinc/26/08/05/570260805.db2.gz QSKZOQUYGOAFNE-FGNRIPBJSA-N 2 0 385.596 3.331 50 0 GGAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3C4CC5CC(C4)CC3C5)C[C@H]2CCO)CC1 ZINC000106740119 570260995 /nfs/dbraw/zinc/26/09/95/570260995.db2.gz JAGMYHSSYJFMMU-HLBYJKLHSA-N 2 0 389.628 3.053 50 0 GGAARP O=C(NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000215757430 570291297 /nfs/dbraw/zinc/29/12/97/570291297.db2.gz BZAYTZSVGCFJJF-JOCHJYFZSA-N 2 0 377.532 3.089 50 0 GGAARP CC(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011753893 570581384 /nfs/dbraw/zinc/58/13/84/570581384.db2.gz SMCGLIQUNNXJEX-OAQYLSRUSA-N 2 0 383.580 3.102 50 0 GGAARP COc1cc(C[NH2+]C2CCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011764569 570582098 /nfs/dbraw/zinc/58/20/98/570582098.db2.gz ICIMFDHNFSQBBU-HXUWFJFHSA-N 2 0 376.541 3.342 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000011815054 570583941 /nfs/dbraw/zinc/58/39/41/570583941.db2.gz OCLNALATZDDVCF-QHCPKHFHSA-N 2 0 399.579 3.482 50 0 GGAARP Cc1cccc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)c1 ZINC000011816525 570584487 /nfs/dbraw/zinc/58/44/87/570584487.db2.gz FWUIQWZSVJVLGZ-NRFANRHFSA-N 2 0 386.561 3.073 50 0 GGAARP COC1CC[NH+](Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000011839463 570586706 /nfs/dbraw/zinc/58/67/06/570586706.db2.gz KTYMQXAUHPKSCN-JOCHJYFZSA-N 2 0 398.547 3.169 50 0 GGAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](C/C(Cl)=C/c2ccccc2)CC1 ZINC000011952156 570595833 /nfs/dbraw/zinc/59/58/33/570595833.db2.gz NFVJSMJICUESFP-SILNSSARSA-N 2 0 377.960 3.436 50 0 GGAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000012026853 570599315 /nfs/dbraw/zinc/59/93/15/570599315.db2.gz XZEUBDSFLVVPGD-SFHVURJKSA-N 2 0 375.532 3.371 50 0 GGAARP COc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012477962 570674311 /nfs/dbraw/zinc/67/43/11/570674311.db2.gz OSYWHXWFYYHYNA-SFHVURJKSA-N 2 0 392.565 3.435 50 0 GGAARP CC(C)OCC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012573418 570681748 /nfs/dbraw/zinc/68/17/48/570681748.db2.gz PWWYQJAZFWTJRD-JOCHJYFZSA-N 2 0 386.536 3.073 50 0 GGAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccoc2)C1 ZINC000012709534 570701467 /nfs/dbraw/zinc/70/14/67/570701467.db2.gz FLZMTPARUKSRKB-LJQANCHMSA-N 2 0 399.535 3.204 50 0 GGAARP O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000012761977 570711089 /nfs/dbraw/zinc/71/10/89/570711089.db2.gz PSWDTEXPIGEWLK-JOCHJYFZSA-N 2 0 395.547 3.315 50 0 GGAARP CC(C)(C)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071754764 570848594 /nfs/dbraw/zinc/84/85/94/570848594.db2.gz WQPNFRBBFHKNRZ-FQEVSTJZSA-N 2 0 386.584 3.310 50 0 GGAARP C[NH+]1C(C)(C)CC(Nc2nc(-c3ccccn3)nc3c2CC[NH2+]C3)CC1(C)C ZINC000072145667 570871631 /nfs/dbraw/zinc/87/16/31/570871631.db2.gz PFWNPGNPFOFSQO-UHFFFAOYSA-N 2 0 380.540 3.248 50 0 GGAARP O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072171360 570877541 /nfs/dbraw/zinc/87/75/41/570877541.db2.gz KUXQJUXSQIIICU-NRFANRHFSA-N 2 0 389.543 3.079 50 0 GGAARP O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)N1CC([NH+]2CCCCC2)C1 ZINC000534640785 570913326 /nfs/dbraw/zinc/91/33/26/570913326.db2.gz CZFHDQROVJZKRN-UHFFFAOYSA-N 2 0 390.959 3.184 50 0 GGAARP COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011841480 1399015111 /nfs/dbraw/zinc/01/51/11/1399015111.db2.gz ASPAEZAFQQWRFS-IBGZPJMESA-N 2 0 376.541 3.053 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccs1 ZINC000011874425 1399015889 /nfs/dbraw/zinc/01/58/89/1399015889.db2.gz XHKVZLGXOQMDBG-IBGZPJMESA-N 2 0 393.597 3.033 50 0 GGAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2cc4ccccc4o2)CC3)CC1 ZINC000012048850 1399025511 /nfs/dbraw/zinc/02/55/11/1399025511.db2.gz RSVWBLSXJLZMDV-HXUWFJFHSA-N 2 0 381.520 3.199 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CC1CCCC1 ZINC000012058496 1399026134 /nfs/dbraw/zinc/02/61/34/1399026134.db2.gz NCWWNRZNKNIFJF-JOCHJYFZSA-N 2 0 393.616 3.238 50 0 GGAARP COCC[N@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C1CCN(C)CC1 ZINC000012072385 1399026467 /nfs/dbraw/zinc/02/64/67/1399026467.db2.gz DXSGCGDECMLQGC-UHFFFAOYSA-N 2 0 377.548 3.080 50 0 GGAARP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1)c1cccnc1 ZINC000012201657 1399033515 /nfs/dbraw/zinc/03/35/15/1399033515.db2.gz XNKSGCMOXJRGTC-SFHVURJKSA-N 2 0 398.576 3.381 50 0 GGAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]Cc2cccnc2)c1)C1CCCCC1 ZINC000012304813 1399037248 /nfs/dbraw/zinc/03/72/48/1399037248.db2.gz NPBSKIZHLFYBTB-QFIPXVFZSA-N 2 0 383.536 3.376 50 0 GGAARP CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)CCC[NH+](C)C ZINC000012373230 1399040131 /nfs/dbraw/zinc/04/01/31/1399040131.db2.gz NQHMDQXDWKMQNL-UHFFFAOYSA-N 2 0 379.976 3.395 50 0 GGAARP c1ncc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000012445100 1399043174 /nfs/dbraw/zinc/04/31/74/1399043174.db2.gz ASBKYTDUEQZPPG-DEOSSOPVSA-N 2 0 394.563 3.270 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012468501 1399044602 /nfs/dbraw/zinc/04/46/02/1399044602.db2.gz KWZBDEFLRHEDJZ-IBGZPJMESA-N 2 0 388.508 3.112 50 0 GGAARP CC(=O)N1CCC([N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 ZINC000012579188 1399048169 /nfs/dbraw/zinc/04/81/69/1399048169.db2.gz QZUQJGZEZLPACK-UHFFFAOYSA-N 2 0 375.532 3.023 50 0 GGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(OC)c2)C[C@H]2CCCO2)CC1 ZINC000012586241 1399048821 /nfs/dbraw/zinc/04/88/21/1399048821.db2.gz AOSSDIHVVNSNJK-JOCHJYFZSA-N 2 0 376.541 3.035 50 0 GGAARP C[N@H+](C[C@H](O)COc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC000012581379 1399049079 /nfs/dbraw/zinc/04/90/79/1399049079.db2.gz VUPQGZPTENDVQR-FQEVSTJZSA-N 2 0 378.582 3.240 50 0 GGAARP CCOC(=O)N1CCC([N@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)CC1 ZINC000012595245 1399049409 /nfs/dbraw/zinc/04/94/09/1399049409.db2.gz GTBWWXGGYLVLOS-UHFFFAOYSA-N 2 0 387.568 3.494 50 0 GGAARP O=C(c1cnccn1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012701303 1399053894 /nfs/dbraw/zinc/05/38/94/1399053894.db2.gz OGJFLQUIFPEFQR-FQEVSTJZSA-N 2 0 399.583 3.059 50 0 GGAARP O=C(CCC1CC[NH+](C2CCOCC2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012763976 1399058147 /nfs/dbraw/zinc/05/81/47/1399058147.db2.gz RXERCABXMSOEOB-QFIPXVFZSA-N 2 0 399.579 3.048 50 0 GGAARP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000014980442 1399129381 /nfs/dbraw/zinc/12/93/81/1399129381.db2.gz QAWLUHYNTQPHMK-QFIPXVFZSA-N 2 0 389.559 3.413 50 0 GGAARP O[C@@H](COc1cccc(C[NH2+]CC2(O)CCCCC2)c1)C[NH+]1CCCCCC1 ZINC000014972137 1399129531 /nfs/dbraw/zinc/12/95/31/1399129531.db2.gz AWJYOGYFYGGKOH-OAQYLSRUSA-N 2 0 390.568 3.087 50 0 GGAARP COc1ccc(CC[C@H](C)[N@H+]2CCC(=O)N(CC[NH+]3CCCCC3)CC2)cc1 ZINC000014991289 1399130200 /nfs/dbraw/zinc/13/02/00/1399130200.db2.gz RRPBGMZIZDQZRS-FQEVSTJZSA-N 2 0 387.568 3.037 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC ZINC000015064806 1399136042 /nfs/dbraw/zinc/13/60/42/1399136042.db2.gz DADHSSNXWHQEGS-FQEVSTJZSA-N 2 0 390.499 3.206 50 0 GGAARP Cc1ccc2c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCCO)C3)cc[nH+]c2c1C ZINC000091664691 1410075106 /nfs/dbraw/zinc/07/51/06/1410075106.db2.gz JPFGMWNCPRXETD-IRLDBZIGSA-N 2 0 396.579 3.066 50 0 GGAARP CC(C)CC[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCC3)s2)C[C@H]1CCO ZINC000104626344 1410916933 /nfs/dbraw/zinc/91/69/33/1410916933.db2.gz RBMNDXYGGMWDPI-LJQANCHMSA-N 2 0 379.614 3.259 50 0 GGAARP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000426369941 231208500 /nfs/dbraw/zinc/20/85/00/231208500.db2.gz MZVBLRUWKBXPAF-IBGZPJMESA-N 2 0 384.568 3.167 50 0 GGAARP Cc1c[nH+]ccc1N1CCCN(C(=O)NCC[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000426669128 231251343 /nfs/dbraw/zinc/25/13/43/231251343.db2.gz ONJWOPUGXLBWDW-FQEVSTJZSA-N 2 0 387.572 3.265 50 0 GGAARP CC[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019228859 210234276 /nfs/dbraw/zinc/23/42/76/210234276.db2.gz MKHGIGNYXPVHIR-JOCHJYFZSA-N 2 0 391.003 3.411 50 0 GGAARP CC(C)N(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000019223313 210232571 /nfs/dbraw/zinc/23/25/71/210232571.db2.gz VMNOTYFZCHOOCG-NRFANRHFSA-N 2 0 383.580 3.197 50 0 GGAARP CNc1nc(N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc(C)[nH+]1 ZINC000426669016 529836364 /nfs/dbraw/zinc/83/63/64/529836364.db2.gz LUAHGWHBEPMSSM-QHCPKHFHSA-N 2 0 379.552 3.174 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](CCCC(F)(F)F)CC1 ZINC000015079655 210151725 /nfs/dbraw/zinc/15/17/25/210151725.db2.gz WVJYPGPJOSLSTR-KRWDZBQOSA-N 2 0 377.495 3.422 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1=CCCCC1 ZINC000015077935 210151339 /nfs/dbraw/zinc/15/13/39/210151339.db2.gz OGCKQGXULIGXDJ-QFIPXVFZSA-N 2 0 391.600 3.158 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccsc1 ZINC000015064361 210146560 /nfs/dbraw/zinc/14/65/60/210146560.db2.gz AEJARCLUBZFASQ-HXUWFJFHSA-N 2 0 393.597 3.033 50 0 GGAARP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000015065042 210145026 /nfs/dbraw/zinc/14/50/26/210145026.db2.gz YBBUTNNPHGABJB-JOCHJYFZSA-N 2 0 398.595 3.455 50 0 GGAARP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000015065043 210145769 /nfs/dbraw/zinc/14/57/69/210145769.db2.gz YBBUTNNPHGABJB-QFIPXVFZSA-N 2 0 398.595 3.455 50 0 GGAARP C[N@H+](CCC1CCOCC1)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000014964366 210135325 /nfs/dbraw/zinc/13/53/25/210135325.db2.gz YGFVBYXICWUXRH-JOCHJYFZSA-N 2 0 390.568 3.161 50 0 GGAARP CC(=O)c1cccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000014970520 210135042 /nfs/dbraw/zinc/13/50/42/210135042.db2.gz OFTUKLMGIIKLGD-HXUWFJFHSA-N 2 0 399.579 3.434 50 0 GGAARP CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000012836608 210017070 /nfs/dbraw/zinc/01/70/70/210017070.db2.gz WEPQMVHOJBQJQP-OAQYLSRUSA-N 2 0 375.532 3.023 50 0 GGAARP COc1ccccc1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012752889 210001639 /nfs/dbraw/zinc/00/16/39/210001639.db2.gz QWKHCDJGSKAXGE-QFIPXVFZSA-N 2 0 398.547 3.253 50 0 GGAARP O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000012761982 210003259 /nfs/dbraw/zinc/00/32/59/210003259.db2.gz PSWDTEXPIGEWLK-QFIPXVFZSA-N 2 0 395.547 3.315 50 0 GGAARP O[C@@H](COc1cccc(C[NH2+]CCCc2cccnc2)c1)C[NH+]1CCCCCC1 ZINC000011664980 209879235 /nfs/dbraw/zinc/87/92/35/209879235.db2.gz PEMAHQHMWOKPPX-HSZRJFAPSA-N 2 0 397.563 3.420 50 0 GGAARP C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)C[NH+](C1CCOCC1)CCO2 ZINC000299785741 212037730 /nfs/dbraw/zinc/03/77/30/212037730.db2.gz KGXUIBMJAPQTDM-UHFFFAOYSA-N 2 0 381.520 3.130 50 0 GGAARP Cc1nnc(=O)[nH]c1NCCCCCCCC[NH2+]CCCCCCCC[NH3+] ZINC000004749843 211549338 /nfs/dbraw/zinc/54/93/38/211549338.db2.gz DDTOLAGJEGWHPZ-UHFFFAOYSA-N 2 0 380.581 3.115 50 0 GGAARP OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC12CC[NH+](C1CCOCC1)CC2 ZINC000097785422 211373176 /nfs/dbraw/zinc/37/31/76/211373176.db2.gz FIDXHKXJMZMELL-IBGZPJMESA-N 2 0 392.971 3.415 50 0 GGAARP CCc1ccc(C[N@@H+]2CCC3(CC[NH+](Cc4ccncc4)CC3)[C@@H](CO)C2)o1 ZINC000097698866 211372225 /nfs/dbraw/zinc/37/22/25/211372225.db2.gz XXZOAXWRWHBQCL-HXUWFJFHSA-N 2 0 383.536 3.334 50 0 GGAARP CSCCC[N@@H+]1CCC2(CC[NH+](Cc3cccc(O)c3)CC2)[C@H](CO)C1 ZINC000097742636 211371744 /nfs/dbraw/zinc/37/17/44/211371744.db2.gz VBYBDSJQACDUJS-IBGZPJMESA-N 2 0 378.582 3.042 50 0 GGAARP COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095518502 211264115 /nfs/dbraw/zinc/26/41/15/211264115.db2.gz RVUOMWZZEOMLHI-FQEVSTJZSA-N 2 0 376.541 3.297 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccoc1 ZINC000095529984 211275328 /nfs/dbraw/zinc/27/53/28/211275328.db2.gz XMEMOJOAZCAZDL-GOSISDBHSA-N 2 0 387.499 3.335 50 0 GGAARP C[N@@H+]1CC[C@H](C[NH+]2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)C1 ZINC000095530260 211274839 /nfs/dbraw/zinc/27/48/39/211274839.db2.gz LKWXJPQFASEYOI-SFHVURJKSA-N 2 0 375.944 3.106 50 0 GGAARP C[N@@H+]1CC[C@@H](C[NH+]2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)C1 ZINC000095530261 211274679 /nfs/dbraw/zinc/27/46/79/211274679.db2.gz LKWXJPQFASEYOI-GOSISDBHSA-N 2 0 375.944 3.106 50 0 GGAARP COc1ccc(C[NH+]2CCC(C)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095525867 211273145 /nfs/dbraw/zinc/27/31/45/211273145.db2.gz PIKJILFXYHDWOI-HXUWFJFHSA-N 2 0 376.541 3.153 50 0 GGAARP O[C@@H](COc1ccc(C[NH+]2CCC(F)CC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000095524959 211270174 /nfs/dbraw/zinc/27/01/74/211270174.db2.gz GRTYHVFBFYVOAK-HSZRJFAPSA-N 2 0 398.522 3.419 50 0 GGAARP CC(C)C[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095509357 211260800 /nfs/dbraw/zinc/26/08/00/211260800.db2.gz MGAXEPKKDPGNJD-UHFFFAOYSA-N 2 0 381.948 3.131 50 0 GGAARP O[C@H](COc1cccc(C[NH+]2CCC(F)CC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095510077 211260666 /nfs/dbraw/zinc/26/06/66/211260666.db2.gz SQSMICTUQJFAIW-QHCPKHFHSA-N 2 0 398.522 3.419 50 0 GGAARP O=C(c1cnco1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095510113 211260227 /nfs/dbraw/zinc/26/02/27/211260227.db2.gz CSQGFXZNDNAJSX-LJQANCHMSA-N 2 0 388.556 3.257 50 0 GGAARP COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095506156 211258322 /nfs/dbraw/zinc/25/83/22/211258322.db2.gz LWMGHJXZHCQIEC-HXUWFJFHSA-N 2 0 388.552 3.297 50 0 GGAARP COc1cc(C[N@H+](C)CC2CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095505642 211258362 /nfs/dbraw/zinc/25/83/62/211258362.db2.gz KOTIPGXHTJFXPM-FQEVSTJZSA-N 2 0 376.541 3.153 50 0 GGAARP COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095507596 211257995 /nfs/dbraw/zinc/25/79/95/211257995.db2.gz WKYUTFKGCFDQNT-JOCHJYFZSA-N 2 0 396.531 3.089 50 0 GGAARP CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CC[NH2+]CC3)cc2Cl)CC1 ZINC000095506560 211257587 /nfs/dbraw/zinc/25/75/87/211257587.db2.gz WIDLUNAMZZXYSP-UHFFFAOYSA-N 2 0 393.959 3.275 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C(C)(C)C ZINC000095507140 211256905 /nfs/dbraw/zinc/25/69/05/211256905.db2.gz BKALHNNAZWZHHV-SFHVURJKSA-N 2 0 377.548 3.474 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH+]2CCC(C)(C)CC2)cc1OC ZINC000095500660 211253789 /nfs/dbraw/zinc/25/37/89/211253789.db2.gz NDNBSRWYXBXNRK-LJQANCHMSA-N 2 0 378.557 3.399 50 0 GGAARP O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095376212 211229579 /nfs/dbraw/zinc/22/95/79/211229579.db2.gz SBBLXMLFUADDDX-NRFANRHFSA-N 2 0 381.520 3.097 50 0 GGAARP Cc1cc(N2CCCN(C(=O)c3ccc([C@H]4CCC[NH2+]C4)cc3)CC2)cc[nH+]1 ZINC000095367150 211228566 /nfs/dbraw/zinc/22/85/66/211228566.db2.gz CVFDISVPIVBNIW-NRFANRHFSA-N 2 0 378.520 3.210 50 0 GGAARP Cc1c2cc(C)ccc2oc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000095363937 211225027 /nfs/dbraw/zinc/22/50/27/211225027.db2.gz YUHPLDWVQRVAPY-IRLDBZIGSA-N 2 0 399.579 3.260 50 0 GGAARP Cc1c[nH+]ccc1N1CCCN(C(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000095362646 211225142 /nfs/dbraw/zinc/22/51/42/211225142.db2.gz OIUDIIHDNHYPMI-OAQYLSRUSA-N 2 0 378.520 3.210 50 0 GGAARP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@@H]1CO ZINC000091626324 211199183 /nfs/dbraw/zinc/19/91/83/211199183.db2.gz RZQLLHGAQJOUTP-DHIUTWEWSA-N 2 0 377.532 3.292 50 0 GGAARP Cc1cc(C)c2[nH]c(C[N@H+]3CCCC[C@@H]3CCN3CC[NH+](C)CC3)cc(=O)c2c1 ZINC000091626423 211198495 /nfs/dbraw/zinc/19/84/95/211198495.db2.gz NCJXOKKMPJJEII-OAQYLSRUSA-N 2 0 396.579 3.137 50 0 GGAARP C[NH+](C)CCN1C[C@@]2(CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CCC1=O ZINC000091794466 211208192 /nfs/dbraw/zinc/20/81/92/211208192.db2.gz GPAYEQZTHOPPAK-FQEVSTJZSA-N 2 0 381.923 3.245 50 0 GGAARP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000079478959 211156363 /nfs/dbraw/zinc/15/63/63/211156363.db2.gz GICYDVWKBALANL-HXUWFJFHSA-N 2 0 395.547 3.456 50 0 GGAARP CCOC(=O)[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cccs1)C2 ZINC000072477100 211124527 /nfs/dbraw/zinc/12/45/27/211124527.db2.gz RGVOYUVGCTVBJH-DBXWQHBBSA-N 2 0 392.565 3.004 50 0 GGAARP C[NH+]1CCC(Nc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072423967 211116621 /nfs/dbraw/zinc/11/66/21/211116621.db2.gz JNCRWTUXYAFXTO-UHFFFAOYSA-N 2 0 385.943 3.306 50 0 GGAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(Cc1ccc(O)cc1)C1CC1)CC[NH+](C)CC2 ZINC000072411662 211113831 /nfs/dbraw/zinc/11/38/31/211113831.db2.gz XZQJYCJGEXBHKC-NRFANRHFSA-N 2 0 385.552 3.080 50 0 GGAARP COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2)c1 ZINC000072163939 211079221 /nfs/dbraw/zinc/07/92/21/211079221.db2.gz OUFUNVANEVIGMY-NRFANRHFSA-N 2 0 385.487 3.007 50 0 GGAARP COc1cccc(C(=O)N2CCC3(CC2)CC[NH+](C2CC[NH+](C)CC2)CC3)c1 ZINC000072151676 211077635 /nfs/dbraw/zinc/07/76/35/211077635.db2.gz BHYICHWJRAIJKP-UHFFFAOYSA-N 2 0 385.552 3.108 50 0 GGAARP O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072149117 211074766 /nfs/dbraw/zinc/07/47/66/211074766.db2.gz CXMIBHCZHUGJIR-JOCHJYFZSA-N 2 0 377.532 3.057 50 0 GGAARP Fc1ccc(OCCC[NH+]2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000072125374 211071692 /nfs/dbraw/zinc/07/16/92/211071692.db2.gz ROMKXFOESYPWLN-NZQKXSOJSA-N 2 0 389.559 3.477 50 0 GGAARP CC(C)(C)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071754765 211057971 /nfs/dbraw/zinc/05/79/71/211057971.db2.gz WQPNFRBBFHKNRZ-HXUWFJFHSA-N 2 0 386.584 3.310 50 0 GGAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000071752901 211056482 /nfs/dbraw/zinc/05/64/82/211056482.db2.gz PQNNXBFUMUZRFN-KRWDZBQOSA-N 2 0 378.520 3.194 50 0 GGAARP CCC[N@H+](C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000071479641 211049556 /nfs/dbraw/zinc/04/95/56/211049556.db2.gz NFAYCMDTZRITPA-UHFFFAOYSA-N 2 0 397.567 3.267 50 0 GGAARP CC(C)(C)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067818528 211023439 /nfs/dbraw/zinc/02/34/39/211023439.db2.gz QZIFCAPHPOFGKY-LJQANCHMSA-N 2 0 386.584 3.310 50 0 GGAARP CC[C@@H](C)Oc1c(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cccc1OC ZINC000067712691 211016323 /nfs/dbraw/zinc/01/63/23/211016323.db2.gz OMGPDCGQOFPQKP-GOSISDBHSA-N 2 0 375.557 3.084 50 0 GGAARP CC(C)CC[N@@H+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1CCO ZINC000020599475 210349875 /nfs/dbraw/zinc/34/98/75/210349875.db2.gz UMKAKLZTCBLTPF-DEOSSOPVSA-N 2 0 387.612 3.108 50 0 GGAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CCc2cccnc2)c1)C1CCCCC1 ZINC000020455847 210338630 /nfs/dbraw/zinc/33/86/30/210338630.db2.gz IYWCRTZWRMYLSC-HSZRJFAPSA-N 2 0 397.563 3.418 50 0 GGAARP Cc1nc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)sc1C ZINC000020210276 210320537 /nfs/dbraw/zinc/32/05/37/210320537.db2.gz MHWZLDHRCDMCHH-GOSISDBHSA-N 2 0 392.613 3.003 50 0 GGAARP COc1ccccc1C[NH+]1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019888970 210304322 /nfs/dbraw/zinc/30/43/22/210304322.db2.gz KIIGDOAZWICKEN-UHFFFAOYSA-N 2 0 379.548 3.477 50 0 GGAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cc4ccccc4o3)C[C@@H]2CCO)CC1 ZINC000019720412 210289050 /nfs/dbraw/zinc/28/90/50/210289050.db2.gz NZPFQBMQTPPIFH-NRFANRHFSA-N 2 0 385.552 3.174 50 0 GGAARP O=C(c1nc2ccccn2c1C[NH+]1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019608043 210276047 /nfs/dbraw/zinc/27/60/47/210276047.db2.gz JNILZEKSKJKOKI-UHFFFAOYSA-N 2 0 395.551 3.021 50 0 GGAARP O=C(NC1CCC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000011839844 221130533 /nfs/dbraw/zinc/13/05/33/221130533.db2.gz FKUSRTFAFZCCKA-UHFFFAOYSA-N 2 0 383.580 3.464 50 0 GGAARP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000222352570 136204736 /nfs/dbraw/zinc/20/47/36/136204736.db2.gz UMJSIFHMEJFIII-QFIPXVFZSA-N 2 0 378.520 3.012 50 0 GGAARP CC(C)[NH+]1CCC(N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CCO)CC1 ZINC000104456386 570258613 /nfs/dbraw/zinc/25/86/13/570258613.db2.gz MDLWSWSDMXURMD-OAQYLSRUSA-N 2 0 379.976 3.081 50 0 GGAARP CC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000004076183 570356511 /nfs/dbraw/zinc/35/65/11/570356511.db2.gz DGBLGWVHPYOSAI-UHFFFAOYSA-N 2 0 382.545 3.081 50 0 GGAARP C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000051759335 570410331 /nfs/dbraw/zinc/41/03/31/570410331.db2.gz WWPHKUNMGCGTIP-SFHVURJKSA-N 2 0 398.595 3.484 50 0 GGAARP CC(C)[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])CC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000243893384 570432644 /nfs/dbraw/zinc/43/26/44/570432644.db2.gz AQSJBMKWRXQKQH-WMQCIHAUSA-N 2 0 375.532 3.402 50 0 GGAARP CC(C)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011753894 570581575 /nfs/dbraw/zinc/58/15/75/570581575.db2.gz SMCGLIQUNNXJEX-NRFANRHFSA-N 2 0 383.580 3.102 50 0 GGAARP C[C@H](CC1CC1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012308271 570640113 /nfs/dbraw/zinc/64/01/13/570640113.db2.gz AMXRBKZUKXTYDH-GOSISDBHSA-N 2 0 384.568 3.063 50 0 GGAARP COc1ccc(C[N@H+](C)C(C)C)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012386141 570650739 /nfs/dbraw/zinc/65/07/39/570650739.db2.gz MMRVHWHSGQIAGO-NRFANRHFSA-N 2 0 386.536 3.407 50 0 GGAARP COc1ccc(C[N@H+](C)C(C)C)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012386142 570651003 /nfs/dbraw/zinc/65/10/03/570651003.db2.gz MMRVHWHSGQIAGO-OAQYLSRUSA-N 2 0 386.536 3.407 50 0 GGAARP C[C@@H](CC1(C)CC1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012435912 570662111 /nfs/dbraw/zinc/66/21/11/570662111.db2.gz DWWIGAVPVFMZJU-IBGZPJMESA-N 2 0 398.595 3.453 50 0 GGAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012459096 570670240 /nfs/dbraw/zinc/67/02/40/570670240.db2.gz LQBRGOQHWJTWMX-OAQYLSRUSA-N 2 0 386.536 3.373 50 0 GGAARP CC(C)=CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012459376 570670329 /nfs/dbraw/zinc/67/03/29/570670329.db2.gz MZCUISOPMXSSIH-IBGZPJMESA-N 2 0 375.532 3.394 50 0 GGAARP CC(C)OCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012573411 570681949 /nfs/dbraw/zinc/68/19/49/570681949.db2.gz PWWYQJAZFWTJRD-QFIPXVFZSA-N 2 0 386.536 3.073 50 0 GGAARP COc1ccc(C[N@H+](C)CCC(C)C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012713871 570703883 /nfs/dbraw/zinc/70/38/83/570703883.db2.gz AXKWOBOLDZIHLP-HXUWFJFHSA-N 2 0 378.557 3.399 50 0 GGAARP Cc1ccc(C2(C[N@@H+]3CCC[C@H](C(=O)c4cccnc4)C3)CC[NH2+]CC2)nc1 ZINC000065461035 570769775 /nfs/dbraw/zinc/76/97/75/570769775.db2.gz RRLVRNRFVPWKQU-FQEVSTJZSA-N 2 0 378.520 3.001 50 0 GGAARP COc1cc(C[N@H+](C)Cc2ccc(C)o2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012589760 570883234 /nfs/dbraw/zinc/88/32/34/570883234.db2.gz RHWGSACJLHIAGP-IBGZPJMESA-N 2 0 388.508 3.064 50 0 GGAARP O=C(NC1(C[NH+]2CCCCC2)CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000534672334 570921245 /nfs/dbraw/zinc/92/12/45/570921245.db2.gz SFUFBSXMHCUDLZ-UHFFFAOYSA-N 2 0 385.556 3.102 50 0 GGAARP CC[NH+](CC)CCCOC(=O)c1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000004765431 570971331 /nfs/dbraw/zinc/97/13/31/570971331.db2.gz VKVBVVWTNRHUDI-UHFFFAOYSA-N 2 0 380.529 3.305 50 0 GGAARP Cn1cc(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c2ccccc21 ZINC000011976137 1399022343 /nfs/dbraw/zinc/02/23/43/1399022343.db2.gz DRQLKKFQEOFQCU-DEOSSOPVSA-N 2 0 393.531 3.342 50 0 GGAARP COc1cc(C[NH2+]CC2CCCCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011999008 1399023156 /nfs/dbraw/zinc/02/31/56/1399023156.db2.gz WBVAKMHCTZBMPR-HXUWFJFHSA-N 2 0 378.557 3.445 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC1(C)CC1 ZINC000012002034 1399023973 /nfs/dbraw/zinc/02/39/73/1399023973.db2.gz NKHAVEVPKAGEHO-OAQYLSRUSA-N 2 0 393.616 3.238 50 0 GGAARP COc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012029223 1399024431 /nfs/dbraw/zinc/02/44/31/1399024431.db2.gz HJILOWZAUIYZSL-QFIPXVFZSA-N 2 0 396.531 3.089 50 0 GGAARP COc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012029231 1399024820 /nfs/dbraw/zinc/02/48/20/1399024820.db2.gz HJILOWZAUIYZSL-JOCHJYFZSA-N 2 0 396.531 3.089 50 0 GGAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cc4ccccc4o2)CC3)CC1 ZINC000012048846 1399025189 /nfs/dbraw/zinc/02/51/89/1399025189.db2.gz RSVWBLSXJLZMDV-FQEVSTJZSA-N 2 0 381.520 3.199 50 0 GGAARP CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H](O)C[NH+]2CCCCCC2)COC1 ZINC000012075375 1399027430 /nfs/dbraw/zinc/02/74/30/1399027430.db2.gz UBBNLOXASSMNMP-IBGZPJMESA-N 2 0 396.959 3.082 50 0 GGAARP CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C3 ZINC000012217680 1399034050 /nfs/dbraw/zinc/03/40/50/1399034050.db2.gz VOITYXFSQQUFOZ-HNNXBMFYSA-N 2 0 390.597 3.149 50 0 GGAARP CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C3 ZINC000012217681 1399034266 /nfs/dbraw/zinc/03/42/66/1399034266.db2.gz VOITYXFSQQUFOZ-OAHLLOKOSA-N 2 0 390.597 3.149 50 0 GGAARP O[C@@H](COc1ccccc1C[NH2+]C1Cc2ccccc2C1)C[NH+]1CCCCC1 ZINC000012313789 1399038158 /nfs/dbraw/zinc/03/81/58/1399038158.db2.gz ASURUSIVBWIDSZ-HSZRJFAPSA-N 2 0 380.532 3.169 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012703691 1399054495 /nfs/dbraw/zinc/05/44/95/1399054495.db2.gz IPIHLUPDZBKACM-NRFANRHFSA-N 2 0 386.536 3.373 50 0 GGAARP CSCCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012745928 1399057529 /nfs/dbraw/zinc/05/75/29/1399057529.db2.gz ZLSRPBLADGFZEK-NRFANRHFSA-N 2 0 388.577 3.401 50 0 GGAARP C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2ccccc2OCCO)CC1 ZINC000012744710 1399057587 /nfs/dbraw/zinc/05/75/87/1399057587.db2.gz LMIIGOFQYGWGIF-UHFFFAOYSA-N 2 0 382.548 3.444 50 0 GGAARP COc1ccc(CC[C@@H](C)[N@H+]2CCC(=O)N(CC[NH+]3CCCCC3)CC2)cc1 ZINC000014991287 1399130301 /nfs/dbraw/zinc/13/03/01/1399130301.db2.gz RRPBGMZIZDQZRS-HXUWFJFHSA-N 2 0 387.568 3.037 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC ZINC000015064805 1399135848 /nfs/dbraw/zinc/13/58/48/1399135848.db2.gz DADHSSNXWHQEGS-HXUWFJFHSA-N 2 0 390.499 3.206 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccccc2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000015063034 1399136164 /nfs/dbraw/zinc/13/61/64/1399136164.db2.gz ABZARDFZLLQWQK-OAQYLSRUSA-N 2 0 384.520 3.129 50 0 GGAARP COCC[N@H+](CCCn1cccn1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000020450969 1399346360 /nfs/dbraw/zinc/34/63/60/1399346360.db2.gz VXYLPTATPZOSOA-OAQYLSRUSA-N 2 0 396.579 3.101 50 0 GGAARP O[C@@H](COc1ccccc1C[N@@H+]1CCc2ccccc2C1)C[NH+]1CCSCC1 ZINC000020598740 1399349706 /nfs/dbraw/zinc/34/97/06/1399349706.db2.gz VVSIIOHASYGDEN-JOCHJYFZSA-N 2 0 398.572 3.033 50 0 GGAARP Cc1cc(C)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1C ZINC000020777651 1399353219 /nfs/dbraw/zinc/35/32/19/1399353219.db2.gz HBENQHRSJBYMBA-DEOSSOPVSA-N 2 0 387.612 3.353 50 0 GGAARP CC(C)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000022933000 1399518481 /nfs/dbraw/zinc/51/84/81/1399518481.db2.gz QVTBXNXASSAIRN-IBGZPJMESA-N 2 0 379.614 3.259 50 0 GGAARP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426511602 529972968 /nfs/dbraw/zinc/97/29/68/529972968.db2.gz HNWHGRMCNKRNMH-OAQYLSRUSA-N 2 0 386.499 3.290 50 0 GGAARP CC[NH+](CC)CCOP(=O)(OCC[NH+](CC)CC)OCC[NH+](CC)CC ZINC000004762139 212079767 /nfs/dbraw/zinc/07/97/67/212079767.db2.gz NPXKBAHNVUNXSI-UHFFFAOYSA-N 3 0 395.525 3.170 50 0 GGAARP COc1ccc(C[NH2+]CC(C)C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011873805 212078593 /nfs/dbraw/zinc/07/85/93/212078593.db2.gz NILMKHQDNZIRCI-HXUWFJFHSA-N 2 0 378.557 3.447 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000011815052 221127507 /nfs/dbraw/zinc/12/75/07/221127507.db2.gz OCLNALATZDDVCF-HSZRJFAPSA-N 2 0 399.579 3.482 50 0 GGAARP O=C(C[NH+]1CCCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011843000 221131694 /nfs/dbraw/zinc/13/16/94/221131694.db2.gz HOQFAFFWTRZMMQ-JOCHJYFZSA-N 2 0 391.506 3.265 50 0 GGAARP O=C(C[NH+]1CCCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011842999 221132041 /nfs/dbraw/zinc/13/20/41/221132041.db2.gz HOQFAFFWTRZMMQ-QFIPXVFZSA-N 2 0 391.506 3.265 50 0 GGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000011873003 221133555 /nfs/dbraw/zinc/13/35/55/221133555.db2.gz ZIDOQSKDPUZKNH-JOCHJYFZSA-N 2 0 383.536 3.376 50 0 GGAARP COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011874382 221135011 /nfs/dbraw/zinc/13/50/11/221135011.db2.gz SNKYRGTXBKWPKE-JOCHJYFZSA-N 2 0 398.547 3.253 50 0 GGAARP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000011664984 221120068 /nfs/dbraw/zinc/12/00/68/221120068.db2.gz XEQOSKOABJBWML-FQEVSTJZSA-N 2 0 384.568 3.064 50 0 GGAARP C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)(c2ccccc2)CC1 ZINC000011951392 221140159 /nfs/dbraw/zinc/14/01/59/221140159.db2.gz YUVSDJJAHNXZMB-DEOSSOPVSA-N 2 0 395.591 3.375 50 0 GGAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000012026858 221143575 /nfs/dbraw/zinc/14/35/75/221143575.db2.gz XZEUBDSFLVVPGD-GOSISDBHSA-N 2 0 375.532 3.371 50 0 GGAARP CCOCCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012052606 221144721 /nfs/dbraw/zinc/14/47/21/221144721.db2.gz VZHJYXDIACOAJT-OAQYLSRUSA-N 2 0 378.557 3.207 50 0 GGAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000012093113 221150219 /nfs/dbraw/zinc/15/02/19/221150219.db2.gz GUYVKPNZTQZVRI-GOSISDBHSA-N 2 0 375.532 3.371 50 0 GGAARP CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000012093082 221150537 /nfs/dbraw/zinc/15/05/37/221150537.db2.gz YFRKLROBEJUPEL-NRFANRHFSA-N 2 0 375.532 3.023 50 0 GGAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000012093111 221150699 /nfs/dbraw/zinc/15/06/99/221150699.db2.gz GUYVKPNZTQZVRI-SFHVURJKSA-N 2 0 375.532 3.371 50 0 GGAARP CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000012093079 221150795 /nfs/dbraw/zinc/15/07/95/221150795.db2.gz YFRKLROBEJUPEL-OAQYLSRUSA-N 2 0 375.532 3.023 50 0 GGAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000012297318 221176061 /nfs/dbraw/zinc/17/60/61/221176061.db2.gz XDEBFMTYUAKLPR-QHCPKHFHSA-N 2 0 391.515 3.243 50 0 GGAARP C[C@@H](CC1CC1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012308270 221180180 /nfs/dbraw/zinc/18/01/80/221180180.db2.gz AMXRBKZUKXTYDH-SFHVURJKSA-N 2 0 384.568 3.063 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC ZINC000012316088 221180875 /nfs/dbraw/zinc/18/08/75/221180875.db2.gz QYLOPIJTEBBMFZ-GOSISDBHSA-N 2 0 392.565 3.436 50 0 GGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000012316996 221180896 /nfs/dbraw/zinc/18/08/96/221180896.db2.gz KXGNTTWTSLCGNB-LJQANCHMSA-N 2 0 397.567 3.156 50 0 GGAARP COCC[NH+]1CCC(C[N@H+](Cc2ccc(COC)o2)Cc2ccncc2)CC1 ZINC000012320787 221181022 /nfs/dbraw/zinc/18/10/22/221181022.db2.gz ONYJAEAHKMGIGL-UHFFFAOYSA-N 2 0 387.524 3.182 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CC2CCCCC2)cc1OC ZINC000012194581 221165262 /nfs/dbraw/zinc/16/52/62/221165262.db2.gz QAVCHQUDILLAOG-FQEVSTJZSA-N 2 0 378.557 3.447 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000012438227 221192788 /nfs/dbraw/zinc/19/27/88/221192788.db2.gz BPGROSDAPWBICC-HXUWFJFHSA-N 2 0 390.499 3.206 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000012432892 221193370 /nfs/dbraw/zinc/19/33/70/221193370.db2.gz YXTWXHBHZPTRRI-KRWDZBQOSA-N 2 0 379.495 3.166 50 0 GGAARP CC(C)=CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012459375 221198893 /nfs/dbraw/zinc/19/88/93/221198893.db2.gz MZCUISOPMXSSIH-LJQANCHMSA-N 2 0 375.532 3.394 50 0 GGAARP COc1cc(C[N@H+](C)Cc2ccc(C)o2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012589769 221211071 /nfs/dbraw/zinc/21/10/71/221211071.db2.gz RHWGSACJLHIAGP-LJQANCHMSA-N 2 0 388.508 3.064 50 0 GGAARP Cc1ccc(F)cc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000012709082 221219289 /nfs/dbraw/zinc/21/92/89/221219289.db2.gz JZJIFWWUXXOWGN-GOSISDBHSA-N 2 0 375.532 3.335 50 0 GGAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccoc2)C1 ZINC000012709540 221219373 /nfs/dbraw/zinc/21/93/73/221219373.db2.gz FLZMTPARUKSRKB-IBGZPJMESA-N 2 0 399.535 3.204 50 0 GGAARP Cc1ccc(F)cc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000012709089 221219877 /nfs/dbraw/zinc/21/98/77/221219877.db2.gz JZJIFWWUXXOWGN-SFHVURJKSA-N 2 0 375.532 3.335 50 0 GGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cccnc1 ZINC000012592538 221211441 /nfs/dbraw/zinc/21/14/41/221211441.db2.gz VCGOUFZUTFNKEH-IBGZPJMESA-N 2 0 398.526 3.137 50 0 GGAARP C[N@H+](CCC1CCOCC1)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000014964362 221321816 /nfs/dbraw/zinc/32/18/16/221321816.db2.gz YGFVBYXICWUXRH-QFIPXVFZSA-N 2 0 390.568 3.161 50 0 GGAARP c1cc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)nc(SCC[NH+]2CCCC2)n1 ZINC000015001907 221326325 /nfs/dbraw/zinc/32/63/25/221326325.db2.gz SIGRKKNVKZBRCI-QGZVFWFLSA-N 2 0 376.570 3.023 50 0 GGAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccsc1 ZINC000015064362 221328051 /nfs/dbraw/zinc/32/80/51/221328051.db2.gz AEJARCLUBZFASQ-FQEVSTJZSA-N 2 0 393.597 3.033 50 0 GGAARP CC[NH+](CC)CC(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000015077268 221331147 /nfs/dbraw/zinc/33/11/47/221331147.db2.gz WUHNRTUBTAHFMA-UHFFFAOYSA-N 2 0 379.976 3.395 50 0 GGAARP COc1ccccc1C[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000015073691 221331305 /nfs/dbraw/zinc/33/13/05/221331305.db2.gz JCLZMUGYXKOZBL-NRFANRHFSA-N 2 0 384.520 3.211 50 0 GGAARP COc1ccc(C[NH2+]CC2CC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015076408 221331651 /nfs/dbraw/zinc/33/16/51/221331651.db2.gz VQLVRESZMDERTF-FQEVSTJZSA-N 2 0 376.541 3.201 50 0 GGAARP CC1(C)CC([NH2+]C2CCN(c3cccc(N4CCNC4=O)c3)CC2)CC(C)(C)[NH2+]1 ZINC000063835598 136156572 /nfs/dbraw/zinc/15/65/72/136156572.db2.gz BXSTWYHNODWUQY-UHFFFAOYSA-N 2 0 399.583 3.084 50 0 GGAARP Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c2ccccc2[nH+]1 ZINC000106994601 136191641 /nfs/dbraw/zinc/19/16/41/136191641.db2.gz KVFIYTSVTKZKTQ-NRFANRHFSA-N 2 0 396.579 3.289 50 0 GGAARP CC[C@H](C)Oc1c(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cccc1OC ZINC000067712692 222155258 /nfs/dbraw/zinc/15/52/58/222155258.db2.gz OMGPDCGQOFPQKP-SFHVURJKSA-N 2 0 375.557 3.084 50 0 GGAARP CC(C)CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071551867 222186297 /nfs/dbraw/zinc/18/62/97/222186297.db2.gz OKTKEMDTUKOIED-NRFANRHFSA-N 2 0 386.584 3.310 50 0 GGAARP CCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071721464 222188610 /nfs/dbraw/zinc/18/86/10/222188610.db2.gz YKAMYWXCEPFAOI-NRFANRHFSA-N 2 0 383.580 3.199 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000071762020 222194100 /nfs/dbraw/zinc/19/41/00/222194100.db2.gz HXANUSBHYBPGJB-GOSISDBHSA-N 2 0 397.567 3.106 50 0 GGAARP c1cn(CC[N@@H+]2CCC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072424995 222259079 /nfs/dbraw/zinc/25/90/79/222259079.db2.gz KNFTUMZHPFTSAW-FQEVSTJZSA-N 2 0 390.535 3.120 50 0 GGAARP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)C2=Cc3ccccc3OC=C2)CC1 ZINC000072436238 222261479 /nfs/dbraw/zinc/26/14/79/222261479.db2.gz IGMGDTIPTPTKIN-RTWAWAEBSA-N 2 0 381.520 3.087 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C(C)(C)C ZINC000095507139 222339543 /nfs/dbraw/zinc/33/95/43/222339543.db2.gz BKALHNNAZWZHHV-GOSISDBHSA-N 2 0 377.548 3.474 50 0 GGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1CC=CC1 ZINC000095518290 222344192 /nfs/dbraw/zinc/34/41/92/222344192.db2.gz DSKQFNZWPFJABY-LJQANCHMSA-N 2 0 387.543 3.394 50 0 GGAARP COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095518501 222344366 /nfs/dbraw/zinc/34/43/66/222344366.db2.gz RVUOMWZZEOMLHI-HXUWFJFHSA-N 2 0 376.541 3.297 50 0 GGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+]2CCCCC23CC3)cc1OC ZINC000095520310 222346309 /nfs/dbraw/zinc/34/63/09/222346309.db2.gz NLJAZDXEASWKDM-IBGZPJMESA-N 2 0 376.541 3.295 50 0 GGAARP COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095526691 222351632 /nfs/dbraw/zinc/35/16/32/222351632.db2.gz KWSTVXHDZXRLHH-NRFANRHFSA-N 2 0 388.552 3.463 50 0 GGAARP C[NH+](Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1)C1CCOCC1 ZINC000095528900 222353634 /nfs/dbraw/zinc/35/36/34/222353634.db2.gz DQZHNZHFVAJOQJ-QHCPKHFHSA-N 2 0 398.547 3.169 50 0 GGAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)C1(C)CC1 ZINC000096147951 222390073 /nfs/dbraw/zinc/39/00/73/222390073.db2.gz BDCJXTCNNVREIK-UHFFFAOYSA-N 2 0 397.607 3.446 50 0 GGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+]2CCCCC23CC3)cc1OC ZINC000095520311 222345873 /nfs/dbraw/zinc/34/58/73/222345873.db2.gz NLJAZDXEASWKDM-LJQANCHMSA-N 2 0 376.541 3.295 50 0 GGAARP CC[NH+](CC)CCC[C@H](C)NC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000426392698 528117459 /nfs/dbraw/zinc/11/74/59/528117459.db2.gz DJGUDAYAEYZSIT-KRWDZBQOSA-N 2 0 375.561 3.041 50 0 GGAARP CCN(CC[NH+](C)C)C(=O)c1cccc(-c2ccc(-c3c[nH]c(N)[nH+]3)cc2)c1 ZINC000426372265 528475881 /nfs/dbraw/zinc/47/58/81/528475881.db2.gz NNPASYFQVOEXFU-UHFFFAOYSA-N 2 0 377.492 3.180 50 0 GGAARP O=C(NCCCSc1ccc(Cl)cc1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000215240441 565896237 /nfs/dbraw/zinc/89/62/37/565896237.db2.gz AZCJRAARIZPVAY-SFHVURJKSA-N 2 0 381.973 3.155 50 0 GGAARP OCC[C@@H]1CN(Cc2cc(C[NH+]3CCCC3)cs2)CC[N@@H+]1C1CCCC1 ZINC000019720488 570211365 /nfs/dbraw/zinc/21/13/65/570211365.db2.gz ZLHVEECLSRPUHX-HXUWFJFHSA-N 2 0 377.598 3.155 50 0 GGAARP OCC[C@H]1CN(Cc2cc(C[NH+]3CCCC3)cs2)CC[N@@H+]1C1CCCC1 ZINC000019720489 570211481 /nfs/dbraw/zinc/21/14/81/570211481.db2.gz ZLHVEECLSRPUHX-FQEVSTJZSA-N 2 0 377.598 3.155 50 0 GGAARP Cc1ccc(C[NH+]2CCC3(CC2)CC[N@@H+](C2CCOCC2)C[C@H]3CO)s1 ZINC000097294847 570241108 /nfs/dbraw/zinc/24/11/08/570241108.db2.gz NHUKUOFJOGTQBJ-SFHVURJKSA-N 2 0 378.582 3.132 50 0 GGAARP Cc1n[nH]c(C)c1C[N@@H+]1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@@H](CO)C1 ZINC000097436968 570243859 /nfs/dbraw/zinc/24/38/59/570243859.db2.gz JBRBZLLNPHZZKV-OAQYLSRUSA-N 2 0 382.552 3.123 50 0 GGAARP Cc1cccc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2cccc(O)c2)C[C@@H]3CO)n1 ZINC000097579008 570247000 /nfs/dbraw/zinc/24/70/00/570247000.db2.gz METSPAUXVLQAEF-OAQYLSRUSA-N 2 0 395.547 3.192 50 0 GGAARP Cc1cccc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2cccc(O)c2)C[C@H]3CO)n1 ZINC000097579010 570247120 /nfs/dbraw/zinc/24/71/20/570247120.db2.gz METSPAUXVLQAEF-NRFANRHFSA-N 2 0 395.547 3.192 50 0 GGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccc4[nH]ccc43)C2)CC1 ZINC000020202653 570247518 /nfs/dbraw/zinc/24/75/18/570247518.db2.gz KBJBNRSDGRQODF-IBGZPJMESA-N 2 0 382.552 3.369 50 0 GGAARP CCc1ccc(C[N@@H+]2CCC3(CC[NH+](Cc4ccncc4)CC3)[C@H](CO)C2)o1 ZINC000097698865 570249716 /nfs/dbraw/zinc/24/97/16/570249716.db2.gz XXZOAXWRWHBQCL-FQEVSTJZSA-N 2 0 383.536 3.334 50 0 GGAARP CSCCC[N@@H+]1CCC2(CC[NH+](Cc3cccc(O)c3)CC2)[C@@H](CO)C1 ZINC000097742637 570252635 /nfs/dbraw/zinc/25/26/35/570252635.db2.gz VBYBDSJQACDUJS-LJQANCHMSA-N 2 0 378.582 3.042 50 0 GGAARP C[NH+](C)[C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1O ZINC000020858246 570282333 /nfs/dbraw/zinc/28/23/33/570282333.db2.gz AHIMTNOPJQHUHL-PKTZIBPZSA-N 2 0 378.516 3.133 50 0 GGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCc1ccncc1)C1CCCCC1 ZINC000023338601 570355428 /nfs/dbraw/zinc/35/54/28/570355428.db2.gz NTXLPTMUWSEERL-QHCPKHFHSA-N 2 0 397.563 3.418 50 0 GGAARP O[C@@H](COc1ccccc1C[NH2+]CCC1=CCCCC1)C[NH+]1CCSCC1 ZINC000039359794 570589963 /nfs/dbraw/zinc/58/99/63/570589963.db2.gz UXUUWEOJLWRNNC-OAQYLSRUSA-N 2 0 390.593 3.455 50 0 GGAARP C[NH+](C)CCCOc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)c1 ZINC000039552054 570593572 /nfs/dbraw/zinc/59/35/72/570593572.db2.gz LMLNCEFVAGSUOW-IBGZPJMESA-N 2 0 387.568 3.288 50 0 GGAARP C[C@H](CCc1ccc(O)cc1)[NH+]1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012472256 570673283 /nfs/dbraw/zinc/67/32/83/570673283.db2.gz WGRCZLYWYFQYIX-GOSISDBHSA-N 2 0 399.579 3.168 50 0 GGAARP CCC[NH+]1CCC([NH2+]C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000055052716 570680245 /nfs/dbraw/zinc/68/02/45/570680245.db2.gz PEHDGKGALLAKOW-UHFFFAOYSA-N 2 0 384.568 3.246 50 0 GGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cc(C)c(C)o1)C2 ZINC000072148400 570872502 /nfs/dbraw/zinc/87/25/02/570872502.db2.gz QUZBDVWJLYAQHW-SJBKTWHCSA-N 2 0 376.541 3.236 50 0 GGAARP COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000015061983 570874512 /nfs/dbraw/zinc/87/45/12/570874512.db2.gz YMHRQXCUQFQOJL-QFIPXVFZSA-N 2 0 398.547 3.171 50 0 GGAARP COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000015061985 570874756 /nfs/dbraw/zinc/87/47/56/570874756.db2.gz YMHRQXCUQFQOJL-JOCHJYFZSA-N 2 0 398.547 3.171 50 0 GGAARP C[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4s3)C[C@H]2CCCO)CC1 ZINC000091643883 571020779 /nfs/dbraw/zinc/02/07/79/571020779.db2.gz OJKFKRFUHZYLDF-CTNGQTDRSA-N 2 0 387.593 3.112 50 0 GGAARP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2cccc3c4ccccc4sc32)C[C@@H]1CO ZINC000091656182 571023261 /nfs/dbraw/zinc/02/32/61/571023261.db2.gz HNKWDAHASYECOU-QZTJIDSGSA-N 2 0 384.545 3.019 50 0 GGAARP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000092037888 571041934 /nfs/dbraw/zinc/04/19/34/571041934.db2.gz PCHDNJIYHJBNKZ-JOCHJYFZSA-N 2 0 377.532 3.487 50 0 GGAARP O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095355063 571051519 /nfs/dbraw/zinc/05/15/19/571051519.db2.gz MGQBFHKEZWAYCH-NRFANRHFSA-N 2 0 393.531 3.254 50 0 GGAARP O=C(C[NH+]1CCCC1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095366407 571058409 /nfs/dbraw/zinc/05/84/09/571058409.db2.gz DBWJLDBMYXFZHZ-OAQYLSRUSA-N 2 0 381.564 3.343 50 0 GGAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC000095517978 571084958 /nfs/dbraw/zinc/08/49/58/571084958.db2.gz QDJDNQMMDQZITL-QFIPXVFZSA-N 2 0 386.511 3.492 50 0 GGAARP CSc1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cn1 ZINC000011820854 1399013984 /nfs/dbraw/zinc/01/39/84/1399013984.db2.gz BMYLRMWZUYBKHL-FQEVSTJZSA-N 2 0 383.565 3.328 50 0 GGAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000011874607 1399015836 /nfs/dbraw/zinc/01/58/36/1399015836.db2.gz XRQVYQFBKFRNTF-NRFANRHFSA-N 2 0 384.520 3.129 50 0 GGAARP O[C@H](COc1cccc(C[NH2+]CCc2cscn2)c1)C[NH+]1CCCCCC1 ZINC000011946038 1399019482 /nfs/dbraw/zinc/01/94/82/1399019482.db2.gz JKUWDOSVPCVPDC-FQEVSTJZSA-N 2 0 389.565 3.091 50 0 GGAARP C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2cccc(OCCO)c2)CC1 ZINC000012026722 1399024555 /nfs/dbraw/zinc/02/45/55/1399024555.db2.gz AKBWHNIJXCAWKO-UHFFFAOYSA-N 2 0 382.548 3.444 50 0 GGAARP CCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)o1 ZINC000012112011 1399030244 /nfs/dbraw/zinc/03/02/44/1399030244.db2.gz QJSIBTGBQYOQAE-SFHVURJKSA-N 2 0 375.557 3.387 50 0 GGAARP O[C@@H](COc1cccc(C[NH2+]C2CCCCCCC2)c1)C[NH+]1CCC(O)CC1 ZINC000012299449 1399036464 /nfs/dbraw/zinc/03/64/64/1399036464.db2.gz VHRRETWGDZPJAB-JOCHJYFZSA-N 2 0 390.568 3.086 50 0 GGAARP CCOCCC[NH2+]Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012303879 1399037227 /nfs/dbraw/zinc/03/72/27/1399037227.db2.gz XFTCUWBRLDIJQX-OAQYLSRUSA-N 2 0 378.557 3.207 50 0 GGAARP CCOCCC[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012303877 1399037346 /nfs/dbraw/zinc/03/73/46/1399037346.db2.gz XFTCUWBRLDIJQX-NRFANRHFSA-N 2 0 378.557 3.207 50 0 GGAARP Cc1cnccc1C[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012319617 1399039459 /nfs/dbraw/zinc/03/94/59/1399039459.db2.gz QGUPEGBVLJYTBM-JOCHJYFZSA-N 2 0 383.536 3.296 50 0 GGAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC000012581370 1399048171 /nfs/dbraw/zinc/04/81/71/1399048171.db2.gz VUPQGZPTENDVQR-HXUWFJFHSA-N 2 0 378.582 3.240 50 0 GGAARP COC1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000012713368 1399055425 /nfs/dbraw/zinc/05/54/25/1399055425.db2.gz RJMLYXDNXPNUDV-OAQYLSRUSA-N 2 0 390.568 3.302 50 0 GGAARP Cc1cc(N2C[C@H]3OC(=O)N(CC[NH+]4CCCCC4)[C@H]3C2)c2ccccc2[nH+]1 ZINC000012744147 1399057656 /nfs/dbraw/zinc/05/76/56/1399057656.db2.gz FXKRBIXFBSQNEQ-LEWJYISDSA-N 2 0 380.492 3.039 50 0 GGAARP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000015065317 1399135649 /nfs/dbraw/zinc/13/56/49/1399135649.db2.gz PACQAYRKQFTJAC-FQEVSTJZSA-N 2 0 376.541 3.343 50 0 GGAARP COc1ccc(C[NH2+]Cc2ccccc2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000015063033 1399136085 /nfs/dbraw/zinc/13/60/85/1399136085.db2.gz ABZARDFZLLQWQK-NRFANRHFSA-N 2 0 384.520 3.129 50 0 GGAARP Cc1ncc2c(c1-c1noc([C@H]3CCC[N@H+](Cc4ccco4)C3)n1)CC[NH2+]C2 ZINC000019301117 1399329299 /nfs/dbraw/zinc/32/92/99/1399329299.db2.gz BNGWONYIOPJRRB-HNNXBMFYSA-N 2 0 379.464 3.058 50 0 GGAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCC1 ZINC000019334383 1399329948 /nfs/dbraw/zinc/32/99/48/1399329948.db2.gz VUKHLXLJNHYIOA-UHFFFAOYSA-N 2 0 383.580 3.418 50 0 GGAARP CC(C)(CO)CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000020455772 1399347157 /nfs/dbraw/zinc/34/71/57/1399347157.db2.gz HBQFSXBFAGXEPK-OAQYLSRUSA-N 2 0 379.633 3.447 50 0 GGAARP