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]([NH2+]C[C@H](C)CN(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293770185 543021538 /nfs/dbraw/zinc/02/15/38/543021538.db2.gz SOKBRWYDXFAICR-LSDHHAIUSA-N 1 3 323.456 2.511 20 10 DFCDHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185345489 427636055 /nfs/dbraw/zinc/63/60/55/427636055.db2.gz SRWJFFZJVMCKEX-IRXDYDNUSA-N 1 3 319.493 2.625 20 10 DFCDHO CCN(CC)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000131387711 520623576 /nfs/dbraw/zinc/62/35/76/520623576.db2.gz AOFPISLHUNHFFH-KRWDZBQOSA-N 1 3 319.493 2.906 20 10 DFCDHO CCCN1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179797822 426820150 /nfs/dbraw/zinc/82/01/50/426820150.db2.gz VWZVDCAVZSNNAT-UHFFFAOYSA-N 1 3 322.449 2.716 20 10 DFCDHO CCCN1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179797822 426820154 /nfs/dbraw/zinc/82/01/54/426820154.db2.gz VWZVDCAVZSNNAT-UHFFFAOYSA-N 1 3 322.449 2.716 20 10 DFCDHO CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccccc1O ZINC000155658502 522859989 /nfs/dbraw/zinc/85/99/89/522859989.db2.gz ZJQLFDRNCDFRRJ-FUHWJXTLSA-N 1 3 319.493 2.707 20 10 DFCDHO CC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccccc1O ZINC000155658394 522624950 /nfs/dbraw/zinc/62/49/50/522624950.db2.gz ZJQLFDRNCDFRRJ-WMZOPIPTSA-N 1 3 319.493 2.707 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(O)c1C ZINC000273299337 130105317 /nfs/dbraw/zinc/10/53/17/130105317.db2.gz AXPFZMFLJQNMBV-MRXNPFEDSA-N 1 3 319.493 2.686 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(O)c1C ZINC000282165831 426844244 /nfs/dbraw/zinc/84/42/44/426844244.db2.gz DSNFDTQKGBXWHH-INIZCTEOSA-N 1 3 319.493 2.686 20 10 DFCDHO Cc1cc(O)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1C ZINC000365547161 429338418 /nfs/dbraw/zinc/33/84/18/429338418.db2.gz BMJQKQYDEMYSFQ-FGTMMUONSA-N 1 3 300.446 2.925 20 10 DFCDHO Cc1cc(O)c(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1C ZINC000365547161 429338421 /nfs/dbraw/zinc/33/84/21/429338421.db2.gz BMJQKQYDEMYSFQ-FGTMMUONSA-N 1 3 300.446 2.925 20 10 DFCDHO COc1ccc(N2CCC[N@H+](CCCN3CCCC3)CC2)cc1 ZINC000193475609 337326798 /nfs/dbraw/zinc/32/67/98/337326798.db2.gz BXHLVMZYMAJVHG-UHFFFAOYSA-N 1 3 317.477 2.693 20 10 DFCDHO COc1ccc(N2CCC[N@@H+](CCCN3CCCC3)CC2)cc1 ZINC000193475609 337326799 /nfs/dbraw/zinc/32/67/99/337326799.db2.gz BXHLVMZYMAJVHG-UHFFFAOYSA-N 1 3 317.477 2.693 20 10 DFCDHO Cc1cc([O-])c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000530249360 340783826 /nfs/dbraw/zinc/78/38/26/340783826.db2.gz WQJMGLXPYPVIKB-GOSISDBHSA-N 1 3 318.461 2.600 20 10 DFCDHO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000293770173 543021184 /nfs/dbraw/zinc/02/11/84/543021184.db2.gz SOKBRWYDXFAICR-GJZGRUSLSA-N 1 3 323.456 2.511 20 10 DFCDHO Cc1cc(O)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1C ZINC000365547164 429338763 /nfs/dbraw/zinc/33/87/63/429338763.db2.gz BMJQKQYDEMYSFQ-SQNIBIBYSA-N 1 3 300.446 2.925 20 10 DFCDHO Cc1cc(O)c(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1C ZINC000365547164 429338766 /nfs/dbraw/zinc/33/87/66/429338766.db2.gz BMJQKQYDEMYSFQ-SQNIBIBYSA-N 1 3 300.446 2.925 20 10 DFCDHO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c([O-])c1 ZINC000283979249 131037832 /nfs/dbraw/zinc/03/78/32/131037832.db2.gz GWRGYNYJUFDUTI-KRWDZBQOSA-N 1 3 319.493 2.687 20 10 DFCDHO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c([O-])c1 ZINC000283979249 131037833 /nfs/dbraw/zinc/03/78/33/131037833.db2.gz GWRGYNYJUFDUTI-KRWDZBQOSA-N 1 3 319.493 2.687 20 10 DFCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000284206110 131059263 /nfs/dbraw/zinc/05/92/63/131059263.db2.gz SKPVPSZBOMCVMC-MRXNPFEDSA-N 1 3 319.493 2.686 20 10 DFCDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000122929684 426404396 /nfs/dbraw/zinc/40/43/96/426404396.db2.gz AGRHSCPALVIEAX-RVKKMQEKSA-N 1 3 301.478 2.887 20 10 DFCDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000122929684 426404401 /nfs/dbraw/zinc/40/44/01/426404401.db2.gz AGRHSCPALVIEAX-RVKKMQEKSA-N 1 3 301.478 2.887 20 10 DFCDHO COc1cc([O-])c(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000179826640 426818955 /nfs/dbraw/zinc/81/89/55/426818955.db2.gz RSQLVRPNALJLMQ-UHFFFAOYSA-N 1 3 322.449 2.573 20 10 DFCDHO CCN1CCN(CCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293603011 427376666 /nfs/dbraw/zinc/37/66/66/427376666.db2.gz GDXSXOHZFDWNML-KRWDZBQOSA-N 1 3 319.493 2.687 20 10 DFCDHO COc1ccc([O-])c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278546115 427442975 /nfs/dbraw/zinc/44/29/75/427442975.db2.gz VIVFCPOMLNDHGP-ZDUSSCGKSA-N 1 3 304.434 2.926 20 10 DFCDHO CCOc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000245867549 521343815 /nfs/dbraw/zinc/34/38/15/521343815.db2.gz GJSIRCUQTQOTLF-HOCLYGCPSA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000245867549 521343822 /nfs/dbraw/zinc/34/38/22/521343822.db2.gz GJSIRCUQTQOTLF-HOCLYGCPSA-N 1 3 304.434 2.707 20 10 DFCDHO CN(C)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298487537 132065107 /nfs/dbraw/zinc/06/51/07/132065107.db2.gz PTFQGFGDQWEWTK-UHFFFAOYSA-N 1 3 310.445 2.906 20 10 DFCDHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000067452772 425910759 /nfs/dbraw/zinc/91/07/59/425910759.db2.gz BEPDWVDTXHAEPG-IAGOWNOFSA-N 1 3 320.477 2.983 20 10 DFCDHO COc1ccc(N2CCC[N@H+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000162839886 426079593 /nfs/dbraw/zinc/07/95/93/426079593.db2.gz CXXNYXRJXKLJAH-QGZVFWFLSA-N 1 3 317.477 2.692 20 10 DFCDHO COc1ccc(N2CCC[N@@H+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000162839886 426079595 /nfs/dbraw/zinc/07/95/95/426079595.db2.gz CXXNYXRJXKLJAH-QGZVFWFLSA-N 1 3 317.477 2.692 20 10 DFCDHO Cc1cc([O-])c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000121103088 426322337 /nfs/dbraw/zinc/32/23/37/426322337.db2.gz MMHDICCPSYUZGN-INIZCTEOSA-N 1 3 320.477 2.534 20 10 DFCDHO Cc1cc([O-])c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000121103088 426322341 /nfs/dbraw/zinc/32/23/41/426322341.db2.gz MMHDICCPSYUZGN-INIZCTEOSA-N 1 3 320.477 2.534 20 10 DFCDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C)cc1[O-] ZINC000280294038 426542189 /nfs/dbraw/zinc/54/21/89/426542189.db2.gz ZKQXIPIDGGAQOK-WMZOPIPTSA-N 1 3 320.477 2.978 20 10 DFCDHO CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C)cc1[O-] ZINC000280294038 426542194 /nfs/dbraw/zinc/54/21/94/426542194.db2.gz ZKQXIPIDGGAQOK-WMZOPIPTSA-N 1 3 320.477 2.978 20 10 DFCDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C)cc1[O-] ZINC000280294025 426542886 /nfs/dbraw/zinc/54/28/86/426542886.db2.gz ZKQXIPIDGGAQOK-FUHWJXTLSA-N 1 3 320.477 2.978 20 10 DFCDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C)cc1[O-] ZINC000280294025 426542892 /nfs/dbraw/zinc/54/28/92/426542892.db2.gz ZKQXIPIDGGAQOK-FUHWJXTLSA-N 1 3 320.477 2.978 20 10 DFCDHO CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290601153 426802655 /nfs/dbraw/zinc/80/26/55/426802655.db2.gz VYWAQLSPTPRBPT-INIZCTEOSA-N 1 3 318.461 2.955 20 10 DFCDHO CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290601153 426802658 /nfs/dbraw/zinc/80/26/58/426802658.db2.gz VYWAQLSPTPRBPT-INIZCTEOSA-N 1 3 318.461 2.955 20 10 DFCDHO CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C)cc1[O-] ZINC000280034628 280186849 /nfs/dbraw/zinc/18/68/49/280186849.db2.gz IICOLGRNGNKPIX-GOSISDBHSA-N 1 3 319.493 2.769 20 10 DFCDHO CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C)cc1[O-] ZINC000280034628 280186852 /nfs/dbraw/zinc/18/68/52/280186852.db2.gz IICOLGRNGNKPIX-GOSISDBHSA-N 1 3 319.493 2.769 20 10 DFCDHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000236860060 340665774 /nfs/dbraw/zinc/66/57/74/340665774.db2.gz PYECEPHRMSRQNQ-ZDUSSCGKSA-N 1 3 308.422 2.721 20 10 DFCDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000155774346 522579632 /nfs/dbraw/zinc/57/96/32/522579632.db2.gz AUHPDSFZZFWZCD-WBVHZDCISA-N 1 3 306.450 2.670 20 10 DFCDHO CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000155774346 522579636 /nfs/dbraw/zinc/57/96/36/522579636.db2.gz AUHPDSFZZFWZCD-WBVHZDCISA-N 1 3 306.450 2.670 20 10 DFCDHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000067452770 425910851 /nfs/dbraw/zinc/91/08/51/425910851.db2.gz BEPDWVDTXHAEPG-CALCHBBNSA-N 1 3 320.477 2.983 20 10 DFCDHO COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290295097 426733804 /nfs/dbraw/zinc/73/38/04/426733804.db2.gz ASQFVQVWTCSBEV-OAHLLOKOSA-N 1 3 304.434 2.565 20 10 DFCDHO COc1ccc([O-])c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290295097 426733808 /nfs/dbraw/zinc/73/38/08/426733808.db2.gz ASQFVQVWTCSBEV-OAHLLOKOSA-N 1 3 304.434 2.565 20 10 DFCDHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409698 427434620 /nfs/dbraw/zinc/43/46/20/427434620.db2.gz FEKIJWCOSKYNHB-DLBZAZTESA-N 1 3 319.493 2.904 20 10 DFCDHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409698 427434624 /nfs/dbraw/zinc/43/46/24/427434624.db2.gz FEKIJWCOSKYNHB-DLBZAZTESA-N 1 3 319.493 2.904 20 10 DFCDHO COc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC000298119129 427526582 /nfs/dbraw/zinc/52/65/82/427526582.db2.gz OZXUQFJABGDYOW-UHFFFAOYSA-N 1 3 313.401 2.554 20 10 DFCDHO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000368806448 429895923 /nfs/dbraw/zinc/89/59/23/429895923.db2.gz NVSXTJJBAIKRLO-VBQJREDUSA-N 1 3 304.434 2.878 20 10 DFCDHO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000368806448 429895924 /nfs/dbraw/zinc/89/59/24/429895924.db2.gz NVSXTJJBAIKRLO-VBQJREDUSA-N 1 3 304.434 2.878 20 10 DFCDHO CCOc1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000156095451 521344808 /nfs/dbraw/zinc/34/48/08/521344808.db2.gz GJSIRCUQTQOTLF-ZBFHGGJFSA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000156095451 521344817 /nfs/dbraw/zinc/34/48/17/521344817.db2.gz GJSIRCUQTQOTLF-ZBFHGGJFSA-N 1 3 304.434 2.707 20 10 DFCDHO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000293770179 543021421 /nfs/dbraw/zinc/02/14/21/543021421.db2.gz SOKBRWYDXFAICR-HUUCEWRRSA-N 1 3 323.456 2.511 20 10 DFCDHO Cc1cc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000372190061 428422703 /nfs/dbraw/zinc/42/27/03/428422703.db2.gz AUSXUBSNMHWQLA-ZIFCJYIRSA-N 1 3 318.461 2.693 20 10 DFCDHO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c([O-])c1 ZINC000283849602 131028895 /nfs/dbraw/zinc/02/88/95/131028895.db2.gz BDXSMHBVZISDSF-INIZCTEOSA-N 1 3 319.493 2.686 20 10 DFCDHO COc1ccc([O-])c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278546112 427443010 /nfs/dbraw/zinc/44/30/10/427443010.db2.gz VIVFCPOMLNDHGP-CYBMUJFWSA-N 1 3 304.434 2.926 20 10 DFCDHO COc1ccc([O-])c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369720220 428044835 /nfs/dbraw/zinc/04/48/35/428044835.db2.gz GACKOGIDFSZUGK-UHFFFAOYSA-N 1 3 304.434 2.709 20 10 DFCDHO COc1ccc([O-])c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369720220 428044842 /nfs/dbraw/zinc/04/48/42/428044842.db2.gz GACKOGIDFSZUGK-UHFFFAOYSA-N 1 3 304.434 2.709 20 10 DFCDHO Cc1cc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000372190059 428421905 /nfs/dbraw/zinc/42/19/05/428421905.db2.gz AUSXUBSNMHWQLA-YQVWRLOYSA-N 1 3 318.461 2.693 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([O-])c1 ZINC000368326216 429831788 /nfs/dbraw/zinc/83/17/88/429831788.db2.gz FBEPYSCAYFWOTM-HZPDHXFCSA-N 1 3 317.477 2.520 20 10 DFCDHO CCOc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1O ZINC000368966970 429904690 /nfs/dbraw/zinc/90/46/90/429904690.db2.gz SZZGREPUKMEVCY-UHFFFAOYSA-N 1 3 304.434 2.851 20 10 DFCDHO CCOc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1O ZINC000368966970 429904692 /nfs/dbraw/zinc/90/46/92/429904692.db2.gz SZZGREPUKMEVCY-UHFFFAOYSA-N 1 3 304.434 2.851 20 10 DFCDHO Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000293796490 335117269 /nfs/dbraw/zinc/11/72/69/335117269.db2.gz QWSXTXWLIMPXCQ-DLBZAZTESA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000293796490 335117270 /nfs/dbraw/zinc/11/72/70/335117270.db2.gz QWSXTXWLIMPXCQ-DLBZAZTESA-N 1 3 320.477 2.897 20 10 DFCDHO CN(C)c1ccc(CN2CCCC23CC[NH+](C)CC3)cc1F ZINC000375475911 337011898 /nfs/dbraw/zinc/01/18/98/337011898.db2.gz YLCSVVHQTYGTJN-UHFFFAOYSA-N 1 3 305.441 2.952 20 10 DFCDHO CN(C)c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1F ZINC000375475911 337011899 /nfs/dbraw/zinc/01/18/99/337011899.db2.gz YLCSVVHQTYGTJN-UHFFFAOYSA-N 1 3 305.441 2.952 20 10 DFCDHO CN(C)c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1F ZINC000375475911 337011900 /nfs/dbraw/zinc/01/19/00/337011900.db2.gz YLCSVVHQTYGTJN-UHFFFAOYSA-N 1 3 305.441 2.952 20 10 DFCDHO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000368806449 524769804 /nfs/dbraw/zinc/76/98/04/524769804.db2.gz NVSXTJJBAIKRLO-ZQIUZPCESA-N 1 3 304.434 2.878 20 10 DFCDHO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000368806449 524769823 /nfs/dbraw/zinc/76/98/23/524769823.db2.gz NVSXTJJBAIKRLO-ZQIUZPCESA-N 1 3 304.434 2.878 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c([O-])c1C ZINC000273609698 130144039 /nfs/dbraw/zinc/14/40/39/130144039.db2.gz VMZGUWUMJIHSNS-MRXNPFEDSA-N 1 3 319.493 2.686 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1C ZINC000273619818 130144815 /nfs/dbraw/zinc/14/48/15/130144815.db2.gz YQLQHIZPWNTZME-DLBZAZTESA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1C ZINC000273619818 130144818 /nfs/dbraw/zinc/14/48/18/130144818.db2.gz YQLQHIZPWNTZME-DLBZAZTESA-N 1 3 320.477 2.897 20 10 DFCDHO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000183463868 427273795 /nfs/dbraw/zinc/27/37/95/427273795.db2.gz KMYOJRDYFPQJBX-XHSDSOJGSA-N 1 3 306.450 2.932 20 10 DFCDHO C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000183463868 427273800 /nfs/dbraw/zinc/27/38/00/427273800.db2.gz KMYOJRDYFPQJBX-XHSDSOJGSA-N 1 3 306.450 2.932 20 10 DFCDHO CCOc1ccc([O-])c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278469957 427439608 /nfs/dbraw/zinc/43/96/08/427439608.db2.gz GYNPSUIIODBWGW-UHFFFAOYSA-N 1 3 304.434 2.755 20 10 DFCDHO Cc1cc(O)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1C ZINC000365547162 429339266 /nfs/dbraw/zinc/33/92/66/429339266.db2.gz BMJQKQYDEMYSFQ-KURKYZTESA-N 1 3 300.446 2.925 20 10 DFCDHO Cc1cc(O)c(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1C ZINC000365547162 429339269 /nfs/dbraw/zinc/33/92/69/429339269.db2.gz BMJQKQYDEMYSFQ-KURKYZTESA-N 1 3 300.446 2.925 20 10 DFCDHO [O-]c1ccc(F)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180213371 526348884 /nfs/dbraw/zinc/34/88/84/526348884.db2.gz XOLGXICBGQZBAC-UHFFFAOYSA-N 1 3 322.424 2.608 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c([O-])c1C ZINC000273619825 130145284 /nfs/dbraw/zinc/14/52/84/130145284.db2.gz YQLQHIZPWNTZME-IRXDYDNUSA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c([O-])c1C ZINC000273619825 130145286 /nfs/dbraw/zinc/14/52/86/130145286.db2.gz YQLQHIZPWNTZME-IRXDYDNUSA-N 1 3 320.477 2.897 20 10 DFCDHO CC[N@H+](CCCN1CCCC1)Cc1cc(OC)c(OC)cc1O ZINC000289403462 131383502 /nfs/dbraw/zinc/38/35/02/131383502.db2.gz GTWAGSMKNSUWKB-UHFFFAOYSA-N 1 3 322.449 2.717 20 10 DFCDHO CC[N@@H+](CCCN1CCCC1)Cc1cc(OC)c(OC)cc1O ZINC000289403462 131383503 /nfs/dbraw/zinc/38/35/03/131383503.db2.gz GTWAGSMKNSUWKB-UHFFFAOYSA-N 1 3 322.449 2.717 20 10 DFCDHO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000293770167 543021123 /nfs/dbraw/zinc/02/11/23/543021123.db2.gz SOKBRWYDXFAICR-CABCVRRESA-N 1 3 323.456 2.511 20 10 DFCDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000122929458 426403793 /nfs/dbraw/zinc/40/37/93/426403793.db2.gz AGRHSCPALVIEAX-IIDMSEBBSA-N 1 3 301.478 2.887 20 10 DFCDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000122929458 426403794 /nfs/dbraw/zinc/40/37/94/426403794.db2.gz AGRHSCPALVIEAX-IIDMSEBBSA-N 1 3 301.478 2.887 20 10 DFCDHO COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179582314 426801957 /nfs/dbraw/zinc/80/19/57/426801957.db2.gz MAAOIFSWQASGEJ-UHFFFAOYSA-N 1 3 320.477 2.963 20 10 DFCDHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179582314 426801959 /nfs/dbraw/zinc/80/19/59/426801959.db2.gz MAAOIFSWQASGEJ-UHFFFAOYSA-N 1 3 320.477 2.963 20 10 DFCDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273396173 535697745 /nfs/dbraw/zinc/69/77/45/535697745.db2.gz LWDWZJCUKPOVMD-QGZVFWFLSA-N 1 3 319.493 2.687 20 10 DFCDHO CCOc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1[O-] ZINC000092381100 185314763 /nfs/dbraw/zinc/31/47/63/185314763.db2.gz IWNUGDCQZPYARG-UHFFFAOYSA-N 1 3 306.450 2.955 20 10 DFCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c([O-])c1 ZINC000283979254 131037850 /nfs/dbraw/zinc/03/78/50/131037850.db2.gz GWRGYNYJUFDUTI-QGZVFWFLSA-N 1 3 319.493 2.687 20 10 DFCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c([O-])c1 ZINC000283979254 131037851 /nfs/dbraw/zinc/03/78/51/131037851.db2.gz GWRGYNYJUFDUTI-QGZVFWFLSA-N 1 3 319.493 2.687 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(O)c1C ZINC000273299334 130104834 /nfs/dbraw/zinc/10/48/34/130104834.db2.gz AXPFZMFLJQNMBV-INIZCTEOSA-N 1 3 319.493 2.686 20 10 DFCDHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(C)cc1O ZINC000280207884 426520377 /nfs/dbraw/zinc/52/03/77/426520377.db2.gz TXHQQGMDDLAJMS-GOSISDBHSA-N 1 3 319.493 2.769 20 10 DFCDHO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000183463903 427272930 /nfs/dbraw/zinc/27/29/30/427272930.db2.gz KMYOJRDYFPQJBX-OAGGEKHMSA-N 1 3 306.450 2.932 20 10 DFCDHO C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000183463886 427273383 /nfs/dbraw/zinc/27/33/83/427273383.db2.gz KMYOJRDYFPQJBX-JYJNAYRXSA-N 1 3 306.450 2.932 20 10 DFCDHO CCOc1cccc(C[NH2+]C2CC(N3CCCCC3)C2)c1O ZINC000370131213 428141865 /nfs/dbraw/zinc/14/18/65/428141865.db2.gz JMUCSBBBKMKMRE-UHFFFAOYSA-N 1 3 304.434 2.897 20 10 DFCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000293796492 335117116 /nfs/dbraw/zinc/11/71/16/335117116.db2.gz QWSXTXWLIMPXCQ-IAGOWNOFSA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000293796492 335117117 /nfs/dbraw/zinc/11/71/17/335117117.db2.gz QWSXTXWLIMPXCQ-IAGOWNOFSA-N 1 3 320.477 2.897 20 10 DFCDHO CCOc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000245867544 521344723 /nfs/dbraw/zinc/34/47/23/521344723.db2.gz GJSIRCUQTQOTLF-GOEBONIOSA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000245867544 521344732 /nfs/dbraw/zinc/34/47/32/521344732.db2.gz GJSIRCUQTQOTLF-GOEBONIOSA-N 1 3 304.434 2.707 20 10 DFCDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000155774461 522826902 /nfs/dbraw/zinc/82/69/02/522826902.db2.gz AUHPDSFZZFWZCD-NVXWUHKLSA-N 1 3 306.450 2.670 20 10 DFCDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000155774461 522826909 /nfs/dbraw/zinc/82/69/09/522826909.db2.gz AUHPDSFZZFWZCD-NVXWUHKLSA-N 1 3 306.450 2.670 20 10 DFCDHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1O ZINC000155658293 522846588 /nfs/dbraw/zinc/84/65/88/522846588.db2.gz ZJQLFDRNCDFRRJ-SJLPKXTDSA-N 1 3 319.493 2.707 20 10 DFCDHO CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C)cc1[O-] ZINC000280144628 130786096 /nfs/dbraw/zinc/78/60/96/130786096.db2.gz PWDIUXXDXAPIBD-GOSISDBHSA-N 1 3 319.493 2.767 20 10 DFCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000293796496 335117549 /nfs/dbraw/zinc/11/75/49/335117549.db2.gz QWSXTXWLIMPXCQ-SJORKVTESA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000293796496 335117550 /nfs/dbraw/zinc/11/75/50/335117550.db2.gz QWSXTXWLIMPXCQ-SJORKVTESA-N 1 3 320.477 2.897 20 10 DFCDHO COc1cc(Cl)cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1[O-] ZINC000230935727 340621334 /nfs/dbraw/zinc/62/13/34/340621334.db2.gz YOHIIBBAHJOOGG-UHFFFAOYSA-N 1 3 312.841 2.876 20 10 DFCDHO CN(C)CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662698450 431165709 /nfs/dbraw/zinc/16/57/09/431165709.db2.gz MRYGXRBCMOFBKY-UHFFFAOYSA-N 1 3 323.440 2.541 20 10 DFCDHO CC[N@@H+]1CC[C@@H](NCc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC000122923962 426403173 /nfs/dbraw/zinc/40/31/73/426403173.db2.gz IGQASLUIIBYEFO-CRAIPNDOSA-N 1 3 301.478 2.889 20 10 DFCDHO CC[N@H+]1CC[C@@H](NCc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC000122923962 426403176 /nfs/dbraw/zinc/40/31/76/426403176.db2.gz IGQASLUIIBYEFO-CRAIPNDOSA-N 1 3 301.478 2.889 20 10 DFCDHO CN(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000289817678 426675342 /nfs/dbraw/zinc/67/53/42/426675342.db2.gz TVDZHVINYRNFQC-XYPWUTKMSA-N 1 3 305.441 2.949 20 10 DFCDHO CN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000289817678 426675346 /nfs/dbraw/zinc/67/53/46/426675346.db2.gz TVDZHVINYRNFQC-XYPWUTKMSA-N 1 3 305.441 2.949 20 10 DFCDHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409699 427434359 /nfs/dbraw/zinc/43/43/59/427434359.db2.gz FEKIJWCOSKYNHB-IAGOWNOFSA-N 1 3 319.493 2.904 20 10 DFCDHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409699 427434361 /nfs/dbraw/zinc/43/43/61/427434361.db2.gz FEKIJWCOSKYNHB-IAGOWNOFSA-N 1 3 319.493 2.904 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c([O-])c1 ZINC000368326215 336842455 /nfs/dbraw/zinc/84/24/55/336842455.db2.gz FBEPYSCAYFWOTM-HOTGVXAUSA-N 1 3 317.477 2.520 20 10 DFCDHO Cc1cc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000372190060 428422934 /nfs/dbraw/zinc/42/29/34/428422934.db2.gz AUSXUBSNMHWQLA-ZHALLVOQSA-N 1 3 318.461 2.693 20 10 DFCDHO COc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000366949484 429545866 /nfs/dbraw/zinc/54/58/66/429545866.db2.gz BOAXRQSPMXSASA-UHFFFAOYSA-N 1 3 304.434 2.709 20 10 DFCDHO COc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000366949484 429545870 /nfs/dbraw/zinc/54/58/70/429545870.db2.gz BOAXRQSPMXSASA-UHFFFAOYSA-N 1 3 304.434 2.709 20 10 DFCDHO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000368806446 429896004 /nfs/dbraw/zinc/89/60/04/429896004.db2.gz NVSXTJJBAIKRLO-GRDNDAEWSA-N 1 3 304.434 2.878 20 10 DFCDHO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000368806446 429896005 /nfs/dbraw/zinc/89/60/05/429896005.db2.gz NVSXTJJBAIKRLO-GRDNDAEWSA-N 1 3 304.434 2.878 20 10 DFCDHO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000284206104 131059620 /nfs/dbraw/zinc/05/96/20/131059620.db2.gz SKPVPSZBOMCVMC-INIZCTEOSA-N 1 3 319.493 2.686 20 10 DFCDHO Cc1cc([O-])c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121102927 426322209 /nfs/dbraw/zinc/32/22/09/426322209.db2.gz MMHDICCPSYUZGN-MRXNPFEDSA-N 1 3 320.477 2.534 20 10 DFCDHO Cc1cc([O-])c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121102927 426322211 /nfs/dbraw/zinc/32/22/11/426322211.db2.gz MMHDICCPSYUZGN-MRXNPFEDSA-N 1 3 320.477 2.534 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(O)c1C ZINC000282165834 426843259 /nfs/dbraw/zinc/84/32/59/426843259.db2.gz DSNFDTQKGBXWHH-MRXNPFEDSA-N 1 3 319.493 2.686 20 10 DFCDHO CCOc1ccc(O)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247267098 426920440 /nfs/dbraw/zinc/92/04/40/426920440.db2.gz XWXMMTIJIWGNKV-YOEHRIQHSA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1ccc(O)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247267098 426920448 /nfs/dbraw/zinc/92/04/48/426920448.db2.gz XWXMMTIJIWGNKV-YOEHRIQHSA-N 1 3 304.434 2.707 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000185414866 427649179 /nfs/dbraw/zinc/64/91/79/427649179.db2.gz AZXDSIFNNRRIBU-HZPDHXFCSA-N 1 3 306.450 2.588 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000185414866 427649182 /nfs/dbraw/zinc/64/91/82/427649182.db2.gz AZXDSIFNNRRIBU-HZPDHXFCSA-N 1 3 306.450 2.588 20 10 DFCDHO CCOc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293773614 335113555 /nfs/dbraw/zinc/11/35/55/335113555.db2.gz YSENTBLONRYSRD-SFHVURJKSA-N 1 3 304.434 2.709 20 10 DFCDHO CCOc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293773614 335113557 /nfs/dbraw/zinc/11/35/57/335113557.db2.gz YSENTBLONRYSRD-SFHVURJKSA-N 1 3 304.434 2.709 20 10 DFCDHO Cc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1[O-] ZINC000180508370 524390082 /nfs/dbraw/zinc/39/00/82/524390082.db2.gz OANWGRYLAWYRCM-UHFFFAOYSA-N 1 3 318.461 2.777 20 10 DFCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000063255904 425900314 /nfs/dbraw/zinc/90/03/14/425900314.db2.gz PYECEPHRMSRQNQ-CYBMUJFWSA-N 1 3 308.422 2.721 20 10 DFCDHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(C)cc1O ZINC000280207888 426520579 /nfs/dbraw/zinc/52/05/79/426520579.db2.gz TXHQQGMDDLAJMS-SFHVURJKSA-N 1 3 319.493 2.769 20 10 DFCDHO COc1ccc([O-])c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290295092 426734441 /nfs/dbraw/zinc/73/44/41/426734441.db2.gz ASQFVQVWTCSBEV-HNNXBMFYSA-N 1 3 304.434 2.565 20 10 DFCDHO COc1ccc([O-])c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290295092 426734444 /nfs/dbraw/zinc/73/44/44/426734444.db2.gz ASQFVQVWTCSBEV-HNNXBMFYSA-N 1 3 304.434 2.565 20 10 DFCDHO Cc1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185414317 333208581 /nfs/dbraw/zinc/20/85/81/333208581.db2.gz ZUXKXKBHVDTLAU-HZPDHXFCSA-N 1 3 306.450 2.588 20 10 DFCDHO Cc1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000185414317 333208583 /nfs/dbraw/zinc/20/85/83/333208583.db2.gz ZUXKXKBHVDTLAU-HZPDHXFCSA-N 1 3 306.450 2.588 20 10 DFCDHO Cc1ccc([O-])c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185414338 333208668 /nfs/dbraw/zinc/20/86/68/333208668.db2.gz ZUXKXKBHVDTLAU-JKSUJKDBSA-N 1 3 306.450 2.588 20 10 DFCDHO Cc1ccc([O-])c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000185414338 333208669 /nfs/dbraw/zinc/20/86/69/333208669.db2.gz ZUXKXKBHVDTLAU-JKSUJKDBSA-N 1 3 306.450 2.588 20 10 DFCDHO CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1[O-] ZINC000155675112 522824860 /nfs/dbraw/zinc/82/48/60/522824860.db2.gz ORGZDSZFIFZNRT-GOSISDBHSA-N 1 3 319.493 2.707 20 10 DFCDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C)cc1[O-] ZINC000280294019 426542298 /nfs/dbraw/zinc/54/22/98/426542298.db2.gz ZKQXIPIDGGAQOK-AEFFLSMTSA-N 1 3 320.477 2.978 20 10 DFCDHO CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C)cc1[O-] ZINC000280294019 426542301 /nfs/dbraw/zinc/54/23/01/426542301.db2.gz ZKQXIPIDGGAQOK-AEFFLSMTSA-N 1 3 320.477 2.978 20 10 DFCDHO CCN(CC)CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000131426930 337437749 /nfs/dbraw/zinc/43/77/49/337437749.db2.gz YLXLJPSUVAQXBU-UHFFFAOYSA-N 1 3 319.493 2.986 20 10 DFCDHO CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1[O-] ZINC000155674997 522576673 /nfs/dbraw/zinc/57/66/73/522576673.db2.gz ORGZDSZFIFZNRT-SFHVURJKSA-N 1 3 319.493 2.707 20 10 DFCDHO CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1O ZINC000155658193 522606204 /nfs/dbraw/zinc/60/62/04/522606204.db2.gz ZJQLFDRNCDFRRJ-AEFFLSMTSA-N 1 3 319.493 2.707 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c([O-])c1C ZINC000273619829 130144835 /nfs/dbraw/zinc/14/48/35/130144835.db2.gz YQLQHIZPWNTZME-SJORKVTESA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c([O-])c1C ZINC000273619829 130144837 /nfs/dbraw/zinc/14/48/37/130144837.db2.gz YQLQHIZPWNTZME-SJORKVTESA-N 1 3 320.477 2.897 20 10 DFCDHO CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C)cc1[O-] ZINC000280034633 426503088 /nfs/dbraw/zinc/50/30/88/426503088.db2.gz IICOLGRNGNKPIX-SFHVURJKSA-N 1 3 319.493 2.769 20 10 DFCDHO CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C)cc1[O-] ZINC000280034633 426503094 /nfs/dbraw/zinc/50/30/94/426503094.db2.gz IICOLGRNGNKPIX-SFHVURJKSA-N 1 3 319.493 2.769 20 10 DFCDHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185345526 427640053 /nfs/dbraw/zinc/64/00/53/427640053.db2.gz SRWJFFZJVMCKEX-DLBZAZTESA-N 1 3 319.493 2.625 20 10 DFCDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273395122 535698997 /nfs/dbraw/zinc/69/89/97/535698997.db2.gz LWDWZJCUKPOVMD-KRWDZBQOSA-N 1 3 319.493 2.687 20 10 DFCDHO CCOc1ccc([O-])c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000092381291 185314770 /nfs/dbraw/zinc/31/47/70/185314770.db2.gz DLKDCUOJEPQQQM-UHFFFAOYSA-N 1 3 306.450 2.955 20 10 DFCDHO CC[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC000122923717 426403079 /nfs/dbraw/zinc/40/30/79/426403079.db2.gz IGQASLUIIBYEFO-QAPCUYQASA-N 1 3 301.478 2.889 20 10 DFCDHO CC[N@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC000122923717 426403082 /nfs/dbraw/zinc/40/30/82/426403082.db2.gz IGQASLUIIBYEFO-QAPCUYQASA-N 1 3 301.478 2.889 20 10 DFCDHO CCOc1ccc(O)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247267084 426919603 /nfs/dbraw/zinc/91/96/03/426919603.db2.gz XWXMMTIJIWGNKV-WMLDXEAASA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1ccc(O)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247267084 426919609 /nfs/dbraw/zinc/91/96/09/426919609.db2.gz XWXMMTIJIWGNKV-WMLDXEAASA-N 1 3 304.434 2.707 20 10 DFCDHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185345509 427640679 /nfs/dbraw/zinc/64/06/79/427640679.db2.gz SRWJFFZJVMCKEX-SJORKVTESA-N 1 3 319.493 2.625 20 10 DFCDHO CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1[O-] ZINC000373459152 428582031 /nfs/dbraw/zinc/58/20/31/428582031.db2.gz DONHQQVVTJPLFP-MAUKXSAKSA-N 1 3 317.477 2.601 20 10 DFCDHO COc1cc([O-])c(C[NH2+]CCCCC[NH+]2CCCC2)cc1OC ZINC000293542023 427357591 /nfs/dbraw/zinc/35/75/91/427357591.db2.gz CYWJABOKSOSIHB-UHFFFAOYSA-N 1 3 322.449 2.765 20 10 DFCDHO CCOc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1[O-] ZINC000278496147 427442313 /nfs/dbraw/zinc/44/23/13/427442313.db2.gz MIYJWZPUUMINDY-UHFFFAOYSA-N 1 3 304.434 2.755 20 10 DFCDHO Cc1cc([O-])c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000530249361 430108918 /nfs/dbraw/zinc/10/89/18/430108918.db2.gz WQJMGLXPYPVIKB-SFHVURJKSA-N 1 3 318.461 2.600 20 10 DFCDHO CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1[O-] ZINC000373459154 336961084 /nfs/dbraw/zinc/96/10/84/336961084.db2.gz DONHQQVVTJPLFP-YJBOKZPZSA-N 1 3 317.477 2.601 20 10 DFCDHO COc1ccc([O-])c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000180481611 286338577 /nfs/dbraw/zinc/33/85/77/286338577.db2.gz QHYUOWURTVGZNM-UHFFFAOYSA-N 1 3 306.450 2.955 20 10 DFCDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000122929203 426404531 /nfs/dbraw/zinc/40/45/31/426404531.db2.gz AGRHSCPALVIEAX-VKJFTORMSA-N 1 3 301.478 2.887 20 10 DFCDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000122929203 426404533 /nfs/dbraw/zinc/40/45/33/426404533.db2.gz AGRHSCPALVIEAX-VKJFTORMSA-N 1 3 301.478 2.887 20 10 DFCDHO CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C)cc1[O-] ZINC000280086815 426502346 /nfs/dbraw/zinc/50/23/46/426502346.db2.gz MBWQJWOZBPANTK-GOSISDBHSA-N 1 3 319.493 2.767 20 10 DFCDHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409700 427434485 /nfs/dbraw/zinc/43/44/85/427434485.db2.gz FEKIJWCOSKYNHB-IRXDYDNUSA-N 1 3 319.493 2.904 20 10 DFCDHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409700 427434490 /nfs/dbraw/zinc/43/44/90/427434490.db2.gz FEKIJWCOSKYNHB-IRXDYDNUSA-N 1 3 319.493 2.904 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c([O-])c1C ZINC000273609696 130142915 /nfs/dbraw/zinc/14/29/15/130142915.db2.gz VMZGUWUMJIHSNS-INIZCTEOSA-N 1 3 319.493 2.686 20 10 DFCDHO Cc1ccc([O-])c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735149 426358242 /nfs/dbraw/zinc/35/82/42/426358242.db2.gz DFHCDQGIILPVLG-UHFFFAOYSA-N 1 3 318.461 2.777 20 10 DFCDHO CCOc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000290387350 426754065 /nfs/dbraw/zinc/75/40/65/426754065.db2.gz INSVPTCIFQEIHV-INIZCTEOSA-N 1 3 318.461 2.955 20 10 DFCDHO CCOc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000290387350 426754068 /nfs/dbraw/zinc/75/40/68/426754068.db2.gz INSVPTCIFQEIHV-INIZCTEOSA-N 1 3 318.461 2.955 20 10 DFCDHO COc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000290647494 426812061 /nfs/dbraw/zinc/81/20/61/426812061.db2.gz YXKAZENFCKNBJS-OAHLLOKOSA-N 1 3 304.434 2.565 20 10 DFCDHO COc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000290647494 426812068 /nfs/dbraw/zinc/81/20/68/426812068.db2.gz YXKAZENFCKNBJS-OAHLLOKOSA-N 1 3 304.434 2.565 20 10 DFCDHO CCOCc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OC ZINC000271773463 427585785 /nfs/dbraw/zinc/58/57/85/427585785.db2.gz CDJKZBXHOBZAOD-UHFFFAOYSA-N 1 3 304.434 2.583 20 10 DFCDHO CCOCc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271773463 427585792 /nfs/dbraw/zinc/58/57/92/427585792.db2.gz CDJKZBXHOBZAOD-UHFFFAOYSA-N 1 3 304.434 2.583 20 10 DFCDHO CCOCc1cc(C[NH2+]CC2=CCN(C)CC2)ccc1OC ZINC000271773463 427585794 /nfs/dbraw/zinc/58/57/94/427585794.db2.gz CDJKZBXHOBZAOD-UHFFFAOYSA-N 1 3 304.434 2.583 20 10 DFCDHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000159090351 523297870 /nfs/dbraw/zinc/29/78/70/523297870.db2.gz KCJWBMRRPGFKPY-INIZCTEOSA-N 1 3 319.493 2.904 20 10 DFCDHO COc1cc(Cl)cc(C[NH2+]CCC2CC[NH+](C)CC2)c1[O-] ZINC000169086652 426136606 /nfs/dbraw/zinc/13/66/06/426136606.db2.gz DTAFIAHKKMUVPL-UHFFFAOYSA-N 1 3 312.841 2.876 20 10 DFCDHO CCOc1ccc(O)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043567 426347003 /nfs/dbraw/zinc/34/70/03/426347003.db2.gz XWXMMTIJIWGNKV-RHSMWYFYSA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1ccc(O)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043567 426347005 /nfs/dbraw/zinc/34/70/05/426347005.db2.gz XWXMMTIJIWGNKV-RHSMWYFYSA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1ccc(O)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043568 426347194 /nfs/dbraw/zinc/34/71/94/426347194.db2.gz XWXMMTIJIWGNKV-PBHICJAKSA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1ccc(O)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043568 426347197 /nfs/dbraw/zinc/34/71/97/426347197.db2.gz XWXMMTIJIWGNKV-PBHICJAKSA-N 1 3 304.434 2.707 20 10 DFCDHO COc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000290647493 426813027 /nfs/dbraw/zinc/81/30/27/426813027.db2.gz YXKAZENFCKNBJS-HNNXBMFYSA-N 1 3 304.434 2.565 20 10 DFCDHO COc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000290647493 426813030 /nfs/dbraw/zinc/81/30/30/426813030.db2.gz YXKAZENFCKNBJS-HNNXBMFYSA-N 1 3 304.434 2.565 20 10 DFCDHO CCOc1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293773610 335113360 /nfs/dbraw/zinc/11/33/60/335113360.db2.gz YSENTBLONRYSRD-GOSISDBHSA-N 1 3 304.434 2.709 20 10 DFCDHO CCOc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293773610 335113361 /nfs/dbraw/zinc/11/33/61/335113361.db2.gz YSENTBLONRYSRD-GOSISDBHSA-N 1 3 304.434 2.709 20 10 DFCDHO Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000293796494 335117458 /nfs/dbraw/zinc/11/74/58/335117458.db2.gz QWSXTXWLIMPXCQ-IRXDYDNUSA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000293796494 335117459 /nfs/dbraw/zinc/11/74/59/335117459.db2.gz QWSXTXWLIMPXCQ-IRXDYDNUSA-N 1 3 320.477 2.897 20 10 DFCDHO CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C)cc1[O-] ZINC000280144632 426506813 /nfs/dbraw/zinc/50/68/13/426506813.db2.gz PWDIUXXDXAPIBD-SFHVURJKSA-N 1 3 319.493 2.767 20 10 DFCDHO CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C)cc1[O-] ZINC000280086820 426502973 /nfs/dbraw/zinc/50/29/73/426502973.db2.gz MBWQJWOZBPANTK-SFHVURJKSA-N 1 3 319.493 2.767 20 10 DFCDHO CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1[O-] ZINC000373459151 428581558 /nfs/dbraw/zinc/58/15/58/428581558.db2.gz DONHQQVVTJPLFP-CRAIPNDOSA-N 1 3 317.477 2.601 20 10 DFCDHO COc1ccc(O)c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000156012155 524736432 /nfs/dbraw/zinc/73/64/32/524736432.db2.gz BLKBZHAJSPJCEL-UHFFFAOYSA-N 1 3 304.434 2.709 20 10 DFCDHO COc1ccc([O-])c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000156012155 524736442 /nfs/dbraw/zinc/73/64/42/524736442.db2.gz BLKBZHAJSPJCEL-UHFFFAOYSA-N 1 3 304.434 2.709 20 10 DFCDHO CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290601155 426802999 /nfs/dbraw/zinc/80/29/99/426802999.db2.gz VYWAQLSPTPRBPT-MRXNPFEDSA-N 1 3 318.461 2.955 20 10 DFCDHO CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290601155 426803004 /nfs/dbraw/zinc/80/30/04/426803004.db2.gz VYWAQLSPTPRBPT-MRXNPFEDSA-N 1 3 318.461 2.955 20 10 DFCDHO CCN1CCN(CCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293603018 427375577 /nfs/dbraw/zinc/37/55/77/427375577.db2.gz GDXSXOHZFDWNML-QGZVFWFLSA-N 1 3 319.493 2.687 20 10 DFCDHO Cc1cc(O)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1C ZINC000365547163 429339425 /nfs/dbraw/zinc/33/94/25/429339425.db2.gz BMJQKQYDEMYSFQ-KZNAEPCWSA-N 1 3 300.446 2.925 20 10 DFCDHO Cc1cc(O)c(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1C ZINC000365547163 429339426 /nfs/dbraw/zinc/33/94/26/429339426.db2.gz BMJQKQYDEMYSFQ-KZNAEPCWSA-N 1 3 300.446 2.925 20 10 DFCDHO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000368806447 429895751 /nfs/dbraw/zinc/89/57/51/429895751.db2.gz NVSXTJJBAIKRLO-JJRVBVJISA-N 1 3 304.434 2.878 20 10 DFCDHO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000368806447 429895753 /nfs/dbraw/zinc/89/57/53/429895753.db2.gz NVSXTJJBAIKRLO-JJRVBVJISA-N 1 3 304.434 2.878 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c([O-])c1 ZINC000368326214 429831712 /nfs/dbraw/zinc/83/17/12/429831712.db2.gz FBEPYSCAYFWOTM-CVEARBPZSA-N 1 3 317.477 2.520 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([O-])c1 ZINC000368326217 336842449 /nfs/dbraw/zinc/84/24/49/336842449.db2.gz FBEPYSCAYFWOTM-JKSUJKDBSA-N 1 3 317.477 2.520 20 10 DFCDHO CCOc1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000156095330 521346222 /nfs/dbraw/zinc/34/62/22/521346222.db2.gz GJSIRCUQTQOTLF-GDBMZVCRSA-N 1 3 304.434 2.707 20 10 DFCDHO CCOc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000156095330 521346229 /nfs/dbraw/zinc/34/62/29/521346229.db2.gz GJSIRCUQTQOTLF-GDBMZVCRSA-N 1 3 304.434 2.707 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1C ZINC000273619822 130145752 /nfs/dbraw/zinc/14/57/52/130145752.db2.gz YQLQHIZPWNTZME-IAGOWNOFSA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1C ZINC000273619822 130145755 /nfs/dbraw/zinc/14/57/55/130145755.db2.gz YQLQHIZPWNTZME-IAGOWNOFSA-N 1 3 320.477 2.897 20 10 DFCDHO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c([O-])c1 ZINC000283849607 131029067 /nfs/dbraw/zinc/02/90/67/131029067.db2.gz BDXSMHBVZISDSF-MRXNPFEDSA-N 1 3 319.493 2.686 20 10 DFCDHO COc1ccc(N2CCC[N@H+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000162840002 426080389 /nfs/dbraw/zinc/08/03/89/426080389.db2.gz CXXNYXRJXKLJAH-KRWDZBQOSA-N 1 3 317.477 2.692 20 10 DFCDHO COc1ccc(N2CCC[N@@H+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000162840002 426080391 /nfs/dbraw/zinc/08/03/91/426080391.db2.gz CXXNYXRJXKLJAH-KRWDZBQOSA-N 1 3 317.477 2.692 20 10 DFCDHO CCCN(CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1O ZINC000290488615 426774984 /nfs/dbraw/zinc/77/49/84/426774984.db2.gz OLOYUHWQEHXTSE-UHFFFAOYSA-N 1 3 310.438 2.573 20 10 DFCDHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185345547 427638472 /nfs/dbraw/zinc/63/84/72/427638472.db2.gz SRWJFFZJVMCKEX-IAGOWNOFSA-N 1 3 319.493 2.625 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000185414887 427647118 /nfs/dbraw/zinc/64/71/18/427647118.db2.gz AZXDSIFNNRRIBU-JKSUJKDBSA-N 1 3 306.450 2.588 20 10 DFCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000185414887 427647122 /nfs/dbraw/zinc/64/71/22/427647122.db2.gz AZXDSIFNNRRIBU-JKSUJKDBSA-N 1 3 306.450 2.588 20 10 DFCDHO COc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1[O-] ZINC000093688606 278010153 /nfs/dbraw/zinc/01/01/53/278010153.db2.gz OINKTMISQDYQDF-UHFFFAOYSA-N 1 3 306.450 2.955 20 10 DFCDHO CCN(CC)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000131387925 520624206 /nfs/dbraw/zinc/62/42/06/520624206.db2.gz AOFPISLHUNHFFH-QGZVFWFLSA-N 1 3 319.493 2.906 20 10 DFCDHO COc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1O ZINC000156012309 525933623 /nfs/dbraw/zinc/93/36/23/525933623.db2.gz CLZMOZLKZFMENI-UHFFFAOYSA-N 1 3 304.434 2.709 20 10 DFCDHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000062252930 425899937 /nfs/dbraw/zinc/89/99/37/425899937.db2.gz BEPDWVDTXHAEPG-IRXDYDNUSA-N 1 3 320.477 2.983 20 10 DFCDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000122928972 426404514 /nfs/dbraw/zinc/40/45/14/426404514.db2.gz AGRHSCPALVIEAX-RKVPGOIHSA-N 1 3 301.478 2.887 20 10 DFCDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000122928972 426404515 /nfs/dbraw/zinc/40/45/15/426404515.db2.gz AGRHSCPALVIEAX-RKVPGOIHSA-N 1 3 301.478 2.887 20 10 DFCDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C)cc1[O-] ZINC000280294032 426542348 /nfs/dbraw/zinc/54/23/48/426542348.db2.gz ZKQXIPIDGGAQOK-SJLPKXTDSA-N 1 3 320.477 2.978 20 10 DFCDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C)cc1[O-] ZINC000280294032 426542350 /nfs/dbraw/zinc/54/23/50/426542350.db2.gz ZKQXIPIDGGAQOK-SJLPKXTDSA-N 1 3 320.477 2.978 20 10 DFCDHO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290471261 426770771 /nfs/dbraw/zinc/77/07/71/426770771.db2.gz NNRFJSCXQZUZIP-GOSISDBHSA-N 1 3 301.478 2.916 20 10 DFCDHO CN(C)c1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290471261 426770777 /nfs/dbraw/zinc/77/07/77/426770777.db2.gz NNRFJSCXQZUZIP-GOSISDBHSA-N 1 3 301.478 2.916 20 10 DFCDHO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290471267 426771349 /nfs/dbraw/zinc/77/13/49/426771349.db2.gz NNRFJSCXQZUZIP-SFHVURJKSA-N 1 3 301.478 2.916 20 10 DFCDHO CN(C)c1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290471267 426771353 /nfs/dbraw/zinc/77/13/53/426771353.db2.gz NNRFJSCXQZUZIP-SFHVURJKSA-N 1 3 301.478 2.916 20 10 DFCDHO CCOc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000290387352 426753505 /nfs/dbraw/zinc/75/35/05/426753505.db2.gz INSVPTCIFQEIHV-MRXNPFEDSA-N 1 3 318.461 2.955 20 10 DFCDHO CCOc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000290387352 426753511 /nfs/dbraw/zinc/75/35/11/426753511.db2.gz INSVPTCIFQEIHV-MRXNPFEDSA-N 1 3 318.461 2.955 20 10 DFCDHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409701 427434783 /nfs/dbraw/zinc/43/47/83/427434783.db2.gz FEKIJWCOSKYNHB-SJORKVTESA-N 1 3 319.493 2.904 20 10 DFCDHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409701 427434788 /nfs/dbraw/zinc/43/47/88/427434788.db2.gz FEKIJWCOSKYNHB-SJORKVTESA-N 1 3 319.493 2.904 20 10 DFCDHO CCOCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC ZINC000295102008 427691888 /nfs/dbraw/zinc/69/18/88/427691888.db2.gz VBDSYLFBAHBJEU-AYHJJNSGSA-N 1 3 318.461 2.947 20 10 DFCDHO Cc1cc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000372190056 428422464 /nfs/dbraw/zinc/42/24/64/428422464.db2.gz AUSXUBSNMHWQLA-JENIJYKNSA-N 1 3 318.461 2.693 20 10 DFCDHO COc1ccc(N2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000372778292 336939276 /nfs/dbraw/zinc/93/92/76/336939276.db2.gz BPSQHIOCKYITJG-UHFFFAOYSA-N 1 3 317.477 2.740 20 10 DFCDHO CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1[O-] ZINC000373459153 336961086 /nfs/dbraw/zinc/96/10/86/336961086.db2.gz DONHQQVVTJPLFP-QAPCUYQASA-N 1 3 317.477 2.601 20 10 DFCDHO COc1ccc(N2CCC([NH2+]CC3=CCN(C)CC3)CC2)cc1 ZINC000378458741 337073312 /nfs/dbraw/zinc/07/33/12/337073312.db2.gz SDBRTBJGPXFHEJ-UHFFFAOYSA-N 1 3 315.461 2.516 20 10 DFCDHO CCCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c([O-])c1 ZINC000156011684 520345575 /nfs/dbraw/zinc/34/55/75/520345575.db2.gz AQZRLTZTJQZZRH-UHFFFAOYSA-N 1 3 306.450 2.955 20 10 DFCDHO CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c([O-])c1 ZINC000156011684 520345581 /nfs/dbraw/zinc/34/55/81/520345581.db2.gz AQZRLTZTJQZZRH-UHFFFAOYSA-N 1 3 306.450 2.955 20 10 DFCDHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000159090474 523298283 /nfs/dbraw/zinc/29/82/83/523298283.db2.gz KCJWBMRRPGFKPY-MRXNPFEDSA-N 1 3 319.493 2.904 20 10 DFCDHO