smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](Cc4nccs4)CC3)O2)CC1 ZINC000096243745 559104900 /nfs/dbraw/zinc/10/49/00/559104900.db2.gz GFKUHMABKOFALF-INIZCTEOSA-N 2 2 416.551 1.004 40 0 HDABLP CN(C)c1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCCCO)cc3)C2)nc[nH+]1 ZINC000257238243 559284023 /nfs/dbraw/zinc/28/40/23/559284023.db2.gz HKCJJFRXCZTMNT-NRFANRHFSA-N 2 2 401.511 1.035 40 0 HDABLP CN(C)c1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCCCO)cc3)C2)[nH+]cn1 ZINC000257238243 559284025 /nfs/dbraw/zinc/28/40/25/559284025.db2.gz HKCJJFRXCZTMNT-NRFANRHFSA-N 2 2 401.511 1.035 40 0 HDABLP CCOCCOc1ccc(C[NH2+]C[C@@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)cc1 ZINC000257286770 559285523 /nfs/dbraw/zinc/28/55/23/559285523.db2.gz PMZJJIPVTDSPCJ-QFIPXVFZSA-N 2 2 415.538 1.689 40 0 HDABLP CCOCCOc1ccc(C[NH2+]C[C@@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)cc1 ZINC000257286770 559285524 /nfs/dbraw/zinc/28/55/24/559285524.db2.gz PMZJJIPVTDSPCJ-QFIPXVFZSA-N 2 2 415.538 1.689 40 0 HDABLP CC(=O)N1CCC([NH+]2CCC(O)(c3csc(C[N@@H+]4CC[C@@H](O)C4)n3)CC2)CC1 ZINC000225422126 291190289 /nfs/dbraw/zinc/19/02/89/291190289.db2.gz DYBHNSRZVBMUPG-QGZVFWFLSA-N 2 2 408.568 1.004 40 0 biogenic,in-vitro HDABLP CC(=O)N1CCC([NH+]2CCC(O)(c3csc(C[N@H+]4CC[C@@H](O)C4)n3)CC2)CC1 ZINC000225422126 291190293 /nfs/dbraw/zinc/19/02/93/291190293.db2.gz DYBHNSRZVBMUPG-QGZVFWFLSA-N 2 2 408.568 1.004 40 0 biogenic,in-vitro HDABLP C[C@@H](C[NH+]1CCOCC1)OC(=O)CCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000019798112 558284753 /nfs/dbraw/zinc/28/47/53/558284753.db2.gz RQMDUBJYRUZZRE-ROUUACIJSA-N 2 2 400.516 1.075 40 0 HDABLP O=C(Cn1cc[nH+]c1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257318750 559283006 /nfs/dbraw/zinc/28/30/06/559283006.db2.gz VPFFTPFTRURVAG-QNWVGRARSA-N 2 2 412.534 1.573 40 0 HDABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108306 568475436 /nfs/dbraw/zinc/47/54/36/568475436.db2.gz PIDQEZZZEKCBNQ-UHFFFAOYSA-N 2 2 412.494 1.230 40 0 HDABLP C[NH+]1CCN(c2ncc3c(n2)[C@@]2(CC[N@H+](Cc4ccc(O)c(F)c4)C2)COC3)CC1 ZINC000248158934 568747970 /nfs/dbraw/zinc/74/79/70/568747970.db2.gz WPMXHHFZCAZWQY-JOCHJYFZSA-N 2 2 413.497 1.747 40 0 HDABLP C[NH+]1CCN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4ccc(O)c(F)c4)C2)COC3)CC1 ZINC000248158934 568747973 /nfs/dbraw/zinc/74/79/73/568747973.db2.gz WPMXHHFZCAZWQY-JOCHJYFZSA-N 2 2 413.497 1.747 40 0 HDABLP Cc1[nH+]c2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257344053 568817166 /nfs/dbraw/zinc/81/71/66/568817166.db2.gz ZVOGJFYSAQXFOK-SFTDATJTSA-N 2 2 400.523 1.809 40 0 HDABLP COCCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC[NH+](C)CC3)CCC[C@H]2O)cc1 ZINC000015672213 291195381 /nfs/dbraw/zinc/19/53/81/291195381.db2.gz FGECBEWQRBMMQU-NHCUHLMSSA-N 2 2 405.539 1.361 40 0 biogenic,in-vitro HDABLP COCCOc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC[NH+](C)CC3)CCC[C@H]2O)cc1 ZINC000015672213 291195382 /nfs/dbraw/zinc/19/53/82/291195382.db2.gz FGECBEWQRBMMQU-NHCUHLMSSA-N 2 2 405.539 1.361 40 0 biogenic,in-vitro HDABLP C[C@@H]1CCC[NH+](C[C@H](O)C[NH+]2CCN(C[C@H](O)C[N@H+]3CCC[C@H](C)C3)[C@H](C)C2)C1 ZINC000022580050 558500034 /nfs/dbraw/zinc/50/00/34/558500034.db2.gz BJPTXBJPXSMOAI-ISBRNDMJSA-N 3 2 410.647 1.178 40 0 HDABLP C[C@@H]1CCC[NH+](C[C@H](O)C[NH+]2CCN(C[C@H](O)C[N@@H+]3CCC[C@H](C)C3)[C@H](C)C2)C1 ZINC000022580050 558500038 /nfs/dbraw/zinc/50/00/38/558500038.db2.gz BJPTXBJPXSMOAI-ISBRNDMJSA-N 3 2 410.647 1.178 40 0 HDABLP C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+]2CCN(C[C@H](O)C[NH+]3CCC[C@H](C)C3)[C@H](C)C2)C1 ZINC000022580050 558500041 /nfs/dbraw/zinc/50/00/41/558500041.db2.gz BJPTXBJPXSMOAI-ISBRNDMJSA-N 3 2 410.647 1.178 40 0 HDABLP C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+]2CCN(C[C@H](O)C[NH+]3CCC[C@H](C)C3)[C@H](C)C2)C1 ZINC000022580050 558500044 /nfs/dbraw/zinc/50/00/44/558500044.db2.gz BJPTXBJPXSMOAI-ISBRNDMJSA-N 3 2 410.647 1.178 40 0 HDABLP Cc1ccccc1N1CCC(O)(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCC[NH+]3CC(N)=O)CC1 ZINC000585282572 559120133 /nfs/dbraw/zinc/12/01/33/559120133.db2.gz HBTCHXHROHSKDR-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1ccccc1N1CCC(O)(C[N@H+]2CC[C@@H]3[C@H](C2)CCCC[NH+]3CC(N)=O)CC1 ZINC000585282572 559120134 /nfs/dbraw/zinc/12/01/34/559120134.db2.gz HBTCHXHROHSKDR-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1ccccc1N1CCC(O)(C[NH+]2CC[C@@H]3[C@H](C2)CCCC[N@@H+]3CC(N)=O)CC1 ZINC000585282572 559120135 /nfs/dbraw/zinc/12/01/35/559120135.db2.gz HBTCHXHROHSKDR-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1ccccc1N1CCC(O)(C[NH+]2CC[C@@H]3[C@H](C2)CCCC[N@H+]3CC(N)=O)CC1 ZINC000585282572 559120136 /nfs/dbraw/zinc/12/01/36/559120136.db2.gz HBTCHXHROHSKDR-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1ccc(N2CCC(O)(C[N@@H+]3CC[C@@H]4[C@H](C3)CCCC[NH+]4CC(N)=O)CC2)cc1 ZINC000585283399 559120678 /nfs/dbraw/zinc/12/06/78/559120678.db2.gz OATYGZKDPSSZDL-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1ccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@H](C3)CCCC[NH+]4CC(N)=O)CC2)cc1 ZINC000585283399 559120679 /nfs/dbraw/zinc/12/06/79/559120679.db2.gz OATYGZKDPSSZDL-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1ccc(N2CCC(O)(C[NH+]3CC[C@@H]4[C@H](C3)CCCC[N@@H+]4CC(N)=O)CC2)cc1 ZINC000585283399 559120681 /nfs/dbraw/zinc/12/06/81/559120681.db2.gz OATYGZKDPSSZDL-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1ccc(N2CCC(O)(C[NH+]3CC[C@@H]4[C@H](C3)CCCC[N@H+]4CC(N)=O)CC2)cc1 ZINC000585283399 559120682 /nfs/dbraw/zinc/12/06/82/559120682.db2.gz OATYGZKDPSSZDL-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP C[NH+]1CCN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4ccc(O)c(F)c4)C2)COC3)CC1 ZINC000248158936 568747851 /nfs/dbraw/zinc/74/78/51/568747851.db2.gz WPMXHHFZCAZWQY-QFIPXVFZSA-N 2 2 413.497 1.747 40 0 HDABLP C[NH+]1CCN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4ccc(O)c(F)c4)C2)COC3)CC1 ZINC000248158936 568747852 /nfs/dbraw/zinc/74/78/52/568747852.db2.gz WPMXHHFZCAZWQY-QFIPXVFZSA-N 2 2 413.497 1.747 40 0 HDABLP CN(C[C@@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000257290207 568801490 /nfs/dbraw/zinc/80/14/90/568801490.db2.gz QCAIGGAGSVUIFW-QFIPXVFZSA-N 2 2 409.490 1.385 40 0 HDABLP CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000257340766 568816157 /nfs/dbraw/zinc/81/61/57/568816157.db2.gz ZHMMWOQQYQEKMG-HSZRJFAPSA-N 2 2 420.517 1.995 40 0 HDABLP CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000257340766 568816158 /nfs/dbraw/zinc/81/61/58/568816158.db2.gz ZHMMWOQQYQEKMG-HSZRJFAPSA-N 2 2 420.517 1.995 40 0 HDABLP CS(=O)(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306123475 568886647 /nfs/dbraw/zinc/88/66/47/568886647.db2.gz AOFQCKWFYLJCQS-VXKWHMMOSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306123475 568886649 /nfs/dbraw/zinc/88/66/49/568886649.db2.gz AOFQCKWFYLJCQS-VXKWHMMOSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@H]1CC[NH+](CC2CCOCC2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306123475 568886650 /nfs/dbraw/zinc/88/66/50/568886650.db2.gz AOFQCKWFYLJCQS-VXKWHMMOSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@H]1CC[NH+](CC2CCOCC2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306123475 568886651 /nfs/dbraw/zinc/88/66/51/568886651.db2.gz AOFQCKWFYLJCQS-VXKWHMMOSA-N 2 2 421.607 1.929 40 0 HDABLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(C[C@H](CNC(=O)c5nccn5C)O4)CC3)n2c1 ZINC000306132555 568894912 /nfs/dbraw/zinc/89/49/12/568894912.db2.gz LLZULNVPKDFQGY-GOSISDBHSA-N 2 2 408.506 1.930 40 0 HDABLP C[C@@H]1CCC[NH+](C[C@H](O)C[NH+]2C[C@@H](C)N(C[C@H](O)C[N@H+]3CCC[C@H](C)C3)[C@@H](C)C2)C1 ZINC000022868668 558518184 /nfs/dbraw/zinc/51/81/84/558518184.db2.gz VIIYPGRJPRVVNW-HYANYTLRSA-N 3 2 424.674 1.567 40 0 HDABLP C[C@@H]1CCC[NH+](C[C@H](O)C[NH+]2C[C@@H](C)N(C[C@H](O)C[N@@H+]3CCC[C@H](C)C3)[C@@H](C)C2)C1 ZINC000022868668 558518185 /nfs/dbraw/zinc/51/81/85/558518185.db2.gz VIIYPGRJPRVVNW-HYANYTLRSA-N 3 2 424.674 1.567 40 0 HDABLP C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+]2C[C@@H](C)N(C[C@H](O)C[NH+]3CCC[C@H](C)C3)[C@@H](C)C2)C1 ZINC000022868668 558518187 /nfs/dbraw/zinc/51/81/87/558518187.db2.gz VIIYPGRJPRVVNW-HYANYTLRSA-N 3 2 424.674 1.567 40 0 HDABLP C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+]2C[C@@H](C)N(C[C@H](O)C[NH+]3CCC[C@H](C)C3)[C@@H](C)C2)C1 ZINC000022868668 558518188 /nfs/dbraw/zinc/51/81/88/558518188.db2.gz VIIYPGRJPRVVNW-HYANYTLRSA-N 3 2 424.674 1.567 40 0 HDABLP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000019288007 558861263 /nfs/dbraw/zinc/86/12/63/558861263.db2.gz FVNMEQMCSMDWKG-UHFFFAOYSA-N 3 2 414.550 1.930 40 0 HDABLP CC(C)n1cc(C[N@@H+]2CCC[C@@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)cn1 ZINC000585101341 559024722 /nfs/dbraw/zinc/02/47/22/559024722.db2.gz ZFGUJFUKNRKDGL-OAQYLSRUSA-N 2 2 413.526 1.978 40 0 HDABLP CC(C)n1cc(C[N@H+]2CCC[C@@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)cn1 ZINC000585101341 559024724 /nfs/dbraw/zinc/02/47/24/559024724.db2.gz ZFGUJFUKNRKDGL-OAQYLSRUSA-N 2 2 413.526 1.978 40 0 HDABLP Cc1nc(C)c(C[N@@H+]2CCO[C@@]3(CO[C@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102288 559026059 /nfs/dbraw/zinc/02/60/59/559026059.db2.gz WDXQUHNZIWISKH-FXAWDEMLSA-N 2 2 419.551 1.523 40 0 HDABLP Cc1nc(C)c(C[N@H+]2CCO[C@@]3(CO[C@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102288 559026061 /nfs/dbraw/zinc/02/60/61/559026061.db2.gz WDXQUHNZIWISKH-FXAWDEMLSA-N 2 2 419.551 1.523 40 0 HDABLP COc1cc(C[N@@H+]2CC[C@](O)(CN3CC[NH+](C)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585272942 559117191 /nfs/dbraw/zinc/11/71/91/559117191.db2.gz NMJUQOSXGCHDOD-QHCPKHFHSA-N 3 2 420.598 1.210 40 0 HDABLP COc1cc(C[N@H+]2CC[C@](O)(CN3CC[NH+](C)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585272942 559117192 /nfs/dbraw/zinc/11/71/92/559117192.db2.gz NMJUQOSXGCHDOD-QHCPKHFHSA-N 3 2 420.598 1.210 40 0 HDABLP OCCOc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257218816 559282866 /nfs/dbraw/zinc/28/28/66/559282866.db2.gz DEMZPXAGKFQLHD-XMMPIXPASA-N 2 2 411.546 1.817 40 0 HDABLP OCCOc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257218816 559282867 /nfs/dbraw/zinc/28/28/67/559282867.db2.gz DEMZPXAGKFQLHD-XMMPIXPASA-N 2 2 411.546 1.817 40 0 HDABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccnc(NS(C)(=O)=O)c3)no2)CC1 ZINC000035425573 560080729 /nfs/dbraw/zinc/08/07/29/560080729.db2.gz BRIZWOUGWLQZHJ-HNNXBMFYSA-N 2 2 406.512 1.734 40 0 biogenic,in-vitro HDABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccnc(NS(C)(=O)=O)c3)no2)CC1 ZINC000035425573 560080730 /nfs/dbraw/zinc/08/07/30/560080730.db2.gz BRIZWOUGWLQZHJ-HNNXBMFYSA-N 2 2 406.512 1.734 40 0 biogenic,in-vitro HDABLP [NH3+]CCOc1cccc(C(=O)NC[C@@]2(O)CCN(c3cc[nH+]c4ccncc43)C2)c1 ZINC000257256938 568792110 /nfs/dbraw/zinc/79/21/10/568792110.db2.gz KNLPXULEMCWCAC-QFIPXVFZSA-N 2 2 407.474 1.339 40 0 HDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)C2)nc[nH+]1 ZINC000257301465 568804796 /nfs/dbraw/zinc/80/47/96/568804796.db2.gz RYNPKJNGSUJHNB-HSZRJFAPSA-N 2 2 424.549 1.250 40 0 HDABLP CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000257340767 568816207 /nfs/dbraw/zinc/81/62/07/568816207.db2.gz ZHMMWOQQYQEKMG-QHCPKHFHSA-N 2 2 420.517 1.995 40 0 HDABLP CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000257340767 568816209 /nfs/dbraw/zinc/81/62/09/568816209.db2.gz ZHMMWOQQYQEKMG-QHCPKHFHSA-N 2 2 420.517 1.995 40 0 HDABLP CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329006792 571306455 /nfs/dbraw/zinc/30/64/55/571306455.db2.gz LFFKHTOYQVDUCA-UHFFFAOYSA-N 2 2 418.567 1.784 40 0 HDABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3cnccn3)c4=O)C2)CC1 ZINC000004259172 291193706 /nfs/dbraw/zinc/19/37/06/291193706.db2.gz FIAQQBSBRHGTQP-JKSUJKDBSA-N 2 2 408.506 1.404 40 0 biogenic,in-vitro HDABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3cnccn3)c4=O)C2)CC1 ZINC000004259172 291193708 /nfs/dbraw/zinc/19/37/08/291193708.db2.gz FIAQQBSBRHGTQP-JKSUJKDBSA-N 2 2 408.506 1.404 40 0 biogenic,in-vitro HDABLP CCn1c2ccc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)cc2n(CC)c1=O ZINC000019719647 558258149 /nfs/dbraw/zinc/25/81/49/558258149.db2.gz BZKUFQLZNRVMDQ-MRXNPFEDSA-N 2 2 417.535 1.483 40 0 HDABLP C[NH+]1CCC(N(CC[NH+]2CCOCC2)C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000019588125 558940123 /nfs/dbraw/zinc/94/01/23/558940123.db2.gz JACZUENAPRWDAW-UHFFFAOYSA-N 2 2 412.538 1.195 40 0 HDABLP C[N@@H+](Cc1cccnc1)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)CCc2cncnc2)C1 ZINC000585110693 559031467 /nfs/dbraw/zinc/03/14/67/559031467.db2.gz SGWHDSLJVSGARG-HXUWFJFHSA-N 2 2 405.506 1.791 40 0 HDABLP C[N@H+](Cc1cccnc1)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)CCc2cncnc2)C1 ZINC000585110693 559031469 /nfs/dbraw/zinc/03/14/69/559031469.db2.gz SGWHDSLJVSGARG-HXUWFJFHSA-N 2 2 405.506 1.791 40 0 HDABLP COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000015673437 560230668 /nfs/dbraw/zinc/23/06/68/560230668.db2.gz NXDGSYQCTOYBOL-ROUUACIJSA-N 2 2 413.522 1.723 40 0 biogenic,in-vitro HDABLP COCC[N@@H+]1CCc2nc3n(c(=O)c2C1)[C@@]1(CC3)CC[NH+](Cc2nccs2)C1 ZINC000306143233 568904812 /nfs/dbraw/zinc/90/48/12/568904812.db2.gz XWXFBYGZUXWXDN-FQEVSTJZSA-N 2 2 401.536 1.252 40 0 HDABLP COCC[N@H+]1CCc2nc3n(c(=O)c2C1)[C@@]1(CC3)CC[NH+](Cc2nccs2)C1 ZINC000306143233 568904813 /nfs/dbraw/zinc/90/48/13/568904813.db2.gz XWXFBYGZUXWXDN-FQEVSTJZSA-N 2 2 401.536 1.252 40 0 HDABLP COCC[NH+]1CCc2nc3n(c(=O)c2C1)[C@@]1(CC3)CC[N@H+](Cc2nccs2)C1 ZINC000306143233 568904814 /nfs/dbraw/zinc/90/48/14/568904814.db2.gz XWXFBYGZUXWXDN-FQEVSTJZSA-N 2 2 401.536 1.252 40 0 HDABLP COCC[NH+]1CCc2nc3n(c(=O)c2C1)[C@@]1(CC3)CC[N@@H+](Cc2nccs2)C1 ZINC000306143233 568904815 /nfs/dbraw/zinc/90/48/15/568904815.db2.gz XWXFBYGZUXWXDN-FQEVSTJZSA-N 2 2 401.536 1.252 40 0 HDABLP CC(C)n1cc(C[N@@H+]2CCC[C@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)cn1 ZINC000585101340 559024709 /nfs/dbraw/zinc/02/47/09/559024709.db2.gz ZFGUJFUKNRKDGL-NRFANRHFSA-N 2 2 413.526 1.978 40 0 HDABLP CC(C)n1cc(C[N@H+]2CCC[C@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)cn1 ZINC000585101340 559024711 /nfs/dbraw/zinc/02/47/11/559024711.db2.gz ZFGUJFUKNRKDGL-NRFANRHFSA-N 2 2 413.526 1.978 40 0 HDABLP Cc1nc(C)c(C[N@@H+]2CCO[C@]3(CO[C@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102289 559026008 /nfs/dbraw/zinc/02/60/08/559026008.db2.gz WDXQUHNZIWISKH-PXNSSMCTSA-N 2 2 419.551 1.523 40 0 HDABLP Cc1nc(C)c(C[N@H+]2CCO[C@]3(CO[C@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102289 559026011 /nfs/dbraw/zinc/02/60/11/559026011.db2.gz WDXQUHNZIWISKH-PXNSSMCTSA-N 2 2 419.551 1.523 40 0 HDABLP COc1cc(C[NH2+]C[C@]2(O)CCN(c3cccc[nH+]3)C2)ccc1OCC[NH+](C)C ZINC000585273705 559118362 /nfs/dbraw/zinc/11/83/62/559118362.db2.gz RMJRPDZCLPBFBN-JOCHJYFZSA-N 3 2 400.523 1.762 40 0 HDABLP CCOCCOc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)cc1 ZINC000257253445 559284505 /nfs/dbraw/zinc/28/45/05/559284505.db2.gz JYYKFJQIMRTWGO-QHCPKHFHSA-N 2 2 419.566 1.639 40 0 HDABLP CCOCCOc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)cc1 ZINC000257253445 559284507 /nfs/dbraw/zinc/28/45/07/559284507.db2.gz JYYKFJQIMRTWGO-QHCPKHFHSA-N 2 2 419.566 1.639 40 0 HDABLP Cn1cccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@H]1O ZINC000020463766 560092913 /nfs/dbraw/zinc/09/29/13/560092913.db2.gz QDESAUAZZXCIDQ-ZSXJVMONSA-N 2 2 411.546 1.923 40 0 biogenic,in-vitro HDABLP CN(C)C(=O)C[NH2+][C@H]1CCCC[C@]12C[N@H+](Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139049 568900941 /nfs/dbraw/zinc/90/09/41/568900941.db2.gz SNZFVBVUHFXVKD-UNMCSNQZSA-N 2 2 412.538 1.459 40 0 HDABLP CN(C)C(=O)C[NH2+][C@H]1CCCC[C@]12C[N@@H+](Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139049 568900942 /nfs/dbraw/zinc/90/09/42/568900942.db2.gz SNZFVBVUHFXVKD-UNMCSNQZSA-N 2 2 412.538 1.459 40 0 HDABLP CC1CCN(c2ncc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000019719994 558258641 /nfs/dbraw/zinc/25/86/41/558258641.db2.gz LMDLYEBGQIEJID-QGZVFWFLSA-N 2 2 404.540 1.353 40 0 HDABLP Cc1cc(C)n(CCOc2ccc(C[N@@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc2)n1 ZINC000585270402 559116289 /nfs/dbraw/zinc/11/62/89/559116289.db2.gz JAYPBXRTNSNWAT-GOTSBHOMSA-N 2 2 413.566 1.371 40 0 HDABLP Cc1cc(C)n(CCOc2ccc(C[N@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc2)n1 ZINC000585270402 559116291 /nfs/dbraw/zinc/11/62/91/559116291.db2.gz JAYPBXRTNSNWAT-GOTSBHOMSA-N 2 2 413.566 1.371 40 0 HDABLP O[C@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCN(c2cccc[nH+]2)C1 ZINC000585274742 559118780 /nfs/dbraw/zinc/11/87/80/559118780.db2.gz ZUPCKEGVWWDDDT-QHCPKHFHSA-N 3 2 412.534 1.524 40 0 HDABLP O[C@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCN(c2ccccn2)C1 ZINC000585274742 559118782 /nfs/dbraw/zinc/11/87/82/559118782.db2.gz ZUPCKEGVWWDDDT-QHCPKHFHSA-N 2 2 412.534 1.524 40 0 HDABLP Cc1cc(N2CC[C@](O)(C[N@H+](C)Cc3cccc(C[NH+]4CCOCC4)c3)C2)ncn1 ZINC000257232354 559283921 /nfs/dbraw/zinc/28/39/21/559283921.db2.gz GKNNKBGRCXJCBR-QHCPKHFHSA-N 2 2 411.550 1.690 40 0 HDABLP Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3cccc(C[NH+]4CCOCC4)c3)C2)ncn1 ZINC000257232354 559283923 /nfs/dbraw/zinc/28/39/23/559283923.db2.gz GKNNKBGRCXJCBR-QHCPKHFHSA-N 2 2 411.550 1.690 40 0 HDABLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CO[C@@H](C[NH+]3CCC(F)(F)CC3)[C@@H]2O)cc1 ZINC000514288758 560034348 /nfs/dbraw/zinc/03/43/48/560034348.db2.gz CEUWANXKUUCPHS-YESZJQIVSA-N 2 2 404.479 1.039 40 0 biogenic,in-vitro HDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257219741 568781880 /nfs/dbraw/zinc/78/18/80/568781880.db2.gz DHZLBYBSVHEMSB-JOCHJYFZSA-N 2 2 413.522 1.439 40 0 HDABLP COc1ccc(-c2n[nH]cc2-c2c[nH+]cn2CC[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000019719574 558257977 /nfs/dbraw/zinc/25/79/77/558257977.db2.gz LQLFLCJNOAIIRX-HNNXBMFYSA-N 2 2 401.492 1.726 40 0 HDABLP C[C@@H]1C[N@@H+](CC(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)C[C@H](C)O1 ZINC000019497459 558896423 /nfs/dbraw/zinc/89/64/23/558896423.db2.gz OWUSTDYIANUGPL-CALCHBBNSA-N 2 2 417.529 1.976 40 0 HDABLP C[C@@H]1C[N@H+](CC(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)C[C@H](C)O1 ZINC000019497459 558896424 /nfs/dbraw/zinc/89/64/24/558896424.db2.gz OWUSTDYIANUGPL-CALCHBBNSA-N 2 2 417.529 1.976 40 0 HDABLP C[N@@H+](Cc1cccnc1)C[C@H]1Cn2cc[nH+]c2CN(C(=O)CCc2cncnc2)C1 ZINC000585110692 559031488 /nfs/dbraw/zinc/03/14/88/559031488.db2.gz SGWHDSLJVSGARG-FQEVSTJZSA-N 2 2 405.506 1.791 40 0 HDABLP C[N@H+](Cc1cccnc1)C[C@H]1Cn2cc[nH+]c2CN(C(=O)CCc2cncnc2)C1 ZINC000585110692 559031490 /nfs/dbraw/zinc/03/14/90/559031490.db2.gz SGWHDSLJVSGARG-FQEVSTJZSA-N 2 2 405.506 1.791 40 0 HDABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585272984 559117264 /nfs/dbraw/zinc/11/72/64/559117264.db2.gz OCMXWNDAPMSGNB-HSZRJFAPSA-N 2 2 411.550 1.772 40 0 HDABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585272984 559117266 /nfs/dbraw/zinc/11/72/66/559117266.db2.gz OCMXWNDAPMSGNB-HSZRJFAPSA-N 2 2 411.550 1.772 40 0 HDABLP Cc1cc(N2CC[C@@](O)(C[N@H+](C)Cc3cccc(C[NH+]4CCOCC4)c3)C2)ncn1 ZINC000257232353 559283910 /nfs/dbraw/zinc/28/39/10/559283910.db2.gz GKNNKBGRCXJCBR-HSZRJFAPSA-N 2 2 411.550 1.690 40 0 HDABLP Cc1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3cccc(C[NH+]4CCOCC4)c3)C2)ncn1 ZINC000257232353 559283911 /nfs/dbraw/zinc/28/39/11/559283911.db2.gz GKNNKBGRCXJCBR-HSZRJFAPSA-N 2 2 411.550 1.690 40 0 HDABLP Cc1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCc4nccn4C)cc3)C2)nc[nH+]1 ZINC000257269834 559285079 /nfs/dbraw/zinc/28/50/79/559285079.db2.gz MROUIZYMQQUSLS-QFIPXVFZSA-N 2 2 408.506 1.829 40 0 HDABLP Cc1cc2[nH]c(CCC(=O)N[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)[nH+]c2cc1C ZINC000257245820 568789064 /nfs/dbraw/zinc/78/90/64/568789064.db2.gz IRESUDOIBYSDKY-ZWDAVXSWSA-N 2 2 400.523 1.843 40 0 HDABLP CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306123476 568886657 /nfs/dbraw/zinc/88/66/57/568886657.db2.gz AOFQCKWFYLJCQS-YADHBBJMSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306123476 568886658 /nfs/dbraw/zinc/88/66/58/568886658.db2.gz AOFQCKWFYLJCQS-YADHBBJMSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@@H]1CC[NH+](CC2CCOCC2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306123476 568886659 /nfs/dbraw/zinc/88/66/59/568886659.db2.gz AOFQCKWFYLJCQS-YADHBBJMSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@@H]1CC[NH+](CC2CCOCC2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306123476 568886660 /nfs/dbraw/zinc/88/66/60/568886660.db2.gz AOFQCKWFYLJCQS-YADHBBJMSA-N 2 2 421.607 1.929 40 0 HDABLP CC(=O)N1CCC([N@@H+]2CCN3[C@H](C[NH+](Cc4ccccc4)C[C@@]3(C)CO)C2)CC1 ZINC000253399018 291190356 /nfs/dbraw/zinc/19/03/56/291190356.db2.gz HYIXQVSPQPUPKS-PKTZIBPZSA-N 2 2 400.567 1.250 40 0 biogenic,in-vitro HDABLP CC(=O)N1CCC([N@H+]2CCN3[C@H](C[NH+](Cc4ccccc4)C[C@@]3(C)CO)C2)CC1 ZINC000253399018 291190358 /nfs/dbraw/zinc/19/03/58/291190358.db2.gz HYIXQVSPQPUPKS-PKTZIBPZSA-N 2 2 400.567 1.250 40 0 biogenic,in-vitro HDABLP CC(=O)N1CCC([NH+]2CCN3[C@@H](C2)C[N@H+](Cc2ccccc2)C[C@@]3(C)CO)CC1 ZINC000253399018 291190361 /nfs/dbraw/zinc/19/03/61/291190361.db2.gz HYIXQVSPQPUPKS-PKTZIBPZSA-N 2 2 400.567 1.250 40 0 biogenic,in-vitro HDABLP CC(=O)N1CCC([NH+]2CCN3[C@@H](C2)C[N@@H+](Cc2ccccc2)C[C@@]3(C)CO)CC1 ZINC000253399018 291190365 /nfs/dbraw/zinc/19/03/65/291190365.db2.gz HYIXQVSPQPUPKS-PKTZIBPZSA-N 2 2 400.567 1.250 40 0 biogenic,in-vitro HDABLP Cc1nc(C)c(C[N@@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102293 559025933 /nfs/dbraw/zinc/02/59/33/559025933.db2.gz WDXQUHNZIWISKH-YLJYHZDGSA-N 2 2 419.551 1.523 40 0 HDABLP Cc1nc(C)c(C[N@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102293 559025935 /nfs/dbraw/zinc/02/59/35/559025935.db2.gz WDXQUHNZIWISKH-YLJYHZDGSA-N 2 2 419.551 1.523 40 0 HDABLP CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCC[NH+]1CCCC1)N(C(=O)c1cccnc1)CC2 ZINC000096265074 559107638 /nfs/dbraw/zinc/10/76/38/559107638.db2.gz RKDPUDLONODXAY-FQEVSTJZSA-N 2 2 410.522 1.811 40 0 HDABLP OCCOCCOc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257297474 559285970 /nfs/dbraw/zinc/28/59/70/559285970.db2.gz RHJURTMOORFILK-FQEVSTJZSA-N 2 2 414.493 1.742 40 0 HDABLP OCCOCCOc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257297474 559285972 /nfs/dbraw/zinc/28/59/72/559285972.db2.gz RHJURTMOORFILK-FQEVSTJZSA-N 2 2 414.493 1.742 40 0 HDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCC[NH+](C)C)c3)C2)nc[nH+]1 ZINC000257297988 568803894 /nfs/dbraw/zinc/80/38/94/568803894.db2.gz RJQKEIWRDSAPNN-JOCHJYFZSA-N 2 2 413.522 1.439 40 0 HDABLP Cn1c[nH+]cc1CNc1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccc(=O)[nH]c3)C1)COC2 ZINC000306139278 568901182 /nfs/dbraw/zinc/90/11/82/568901182.db2.gz STTVGUSNQUASQD-NRFANRHFSA-N 2 2 407.478 1.597 40 0 HDABLP Cn1c[nH+]cc1CNc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccc(=O)[nH]c3)C1)COC2 ZINC000306139278 568901184 /nfs/dbraw/zinc/90/11/84/568901184.db2.gz STTVGUSNQUASQD-NRFANRHFSA-N 2 2 407.478 1.597 40 0 HDABLP OC[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@H]([N@@H+]2CCc3ccccc3C2)[C@@H]1O ZINC000020465253 575367449 /nfs/dbraw/zinc/36/74/49/575367449.db2.gz LGWYHJJCDQHQCB-CLAROIROSA-N 2 2 402.922 1.977 40 0 biogenic,in-vitro HDABLP OC[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@H]([N@H+]2CCc3ccccc3C2)[C@@H]1O ZINC000020465253 575367451 /nfs/dbraw/zinc/36/74/51/575367451.db2.gz LGWYHJJCDQHQCB-CLAROIROSA-N 2 2 402.922 1.977 40 0 biogenic,in-vitro HDABLP CC1CCN(c2ncc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000019719995 558258738 /nfs/dbraw/zinc/25/87/38/558258738.db2.gz LMDLYEBGQIEJID-KRWDZBQOSA-N 2 2 404.540 1.353 40 0 HDABLP C[NH+]1CCN(N2C[NH+]=C3N[C@H](c4ccccc4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171493 560872384 /nfs/dbraw/zinc/87/23/84/560872384.db2.gz UHFUSNVKAWAOJB-FQEVSTJZSA-N 2 2 402.506 1.742 40 0 HDABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)C[N@H+](CC3CC3)CCO2)CC1 ZINC000257269441 568795338 /nfs/dbraw/zinc/79/53/38/568795338.db2.gz MPYFRXVTTORMSX-JOCHJYFZSA-N 2 2 405.514 1.850 40 0 HDABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)C[N@@H+](CC3CC3)CCO2)CC1 ZINC000257269441 568795341 /nfs/dbraw/zinc/79/53/41/568795341.db2.gz MPYFRXVTTORMSX-JOCHJYFZSA-N 2 2 405.514 1.850 40 0 HDABLP CN(CC1(O)CCN(c2cccc3[nH+]ccn32)CC1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000257318055 568809639 /nfs/dbraw/zinc/80/96/39/568809639.db2.gz VMGSMNCCMRPXGZ-UHFFFAOYSA-N 2 2 423.517 1.775 40 0 HDABLP [NH3+]CCCOc1ccc(C(=O)NC[C@]2(O)CCN(c3cc[nH+]c4ccncc43)C2)cc1 ZINC000257331501 568813653 /nfs/dbraw/zinc/81/36/53/568813653.db2.gz XTCUMCGPDZNNOW-HSZRJFAPSA-N 2 2 421.501 1.729 40 0 HDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccccn2)CC1 ZINC000020503901 291191851 /nfs/dbraw/zinc/19/18/51/291191851.db2.gz QTEJZRJYOMFSSZ-SLFFLAALSA-N 2 2 400.571 1.622 40 0 biogenic,in-vitro HDABLP [NH3+]CCOc1cccc(C(=O)NCC2(O)CCN(c3cc[nH+]c4ccncc43)CC2)c1 ZINC000257279859 568798606 /nfs/dbraw/zinc/79/86/06/568798606.db2.gz OIMFKUWJJSDGDS-UHFFFAOYSA-N 2 2 421.501 1.729 40 0 HDABLP CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257325141 568811956 /nfs/dbraw/zinc/81/19/56/568811956.db2.gz WRQTYXYWMIBFAU-SFGWALBWSA-N 2 2 400.523 1.575 40 0 HDABLP COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+](C)CCc1ccccn1 ZINC000067870731 291195340 /nfs/dbraw/zinc/19/53/40/291195340.db2.gz RAJNKHJPKCWAGU-CMKODMSKSA-N 2 2 405.612 1.377 40 0 biogenic,in-vitro HDABLP COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+](C)CCc1ccccn1 ZINC000067870731 291195344 /nfs/dbraw/zinc/19/53/44/291195344.db2.gz RAJNKHJPKCWAGU-CMKODMSKSA-N 2 2 405.612 1.377 40 0 biogenic,in-vitro HDABLP COCCNC(=S)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+](C)CCc1ccccn1 ZINC000067870731 291195345 /nfs/dbraw/zinc/19/53/45/291195345.db2.gz RAJNKHJPKCWAGU-CMKODMSKSA-N 2 2 405.612 1.377 40 0 biogenic,in-vitro HDABLP COCCNC(=S)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+](C)CCc1ccccn1 ZINC000067870731 291195347 /nfs/dbraw/zinc/19/53/47/291195347.db2.gz RAJNKHJPKCWAGU-CMKODMSKSA-N 2 2 405.612 1.377 40 0 biogenic,in-vitro HDABLP O[C@@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCN(c2cccc[nH+]2)C1 ZINC000585274740 559118797 /nfs/dbraw/zinc/11/87/97/559118797.db2.gz ZUPCKEGVWWDDDT-HSZRJFAPSA-N 3 2 412.534 1.524 40 0 HDABLP O[C@@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCN(c2ccccn2)C1 ZINC000585274740 559118800 /nfs/dbraw/zinc/11/88/00/559118800.db2.gz ZUPCKEGVWWDDDT-HSZRJFAPSA-N 2 2 412.534 1.524 40 0 HDABLP CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)cc1 ZINC000257253444 559284625 /nfs/dbraw/zinc/28/46/25/559284625.db2.gz JYYKFJQIMRTWGO-HSZRJFAPSA-N 2 2 419.566 1.639 40 0 HDABLP CCOCCOc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)cc1 ZINC000257253444 559284627 /nfs/dbraw/zinc/28/46/27/559284627.db2.gz JYYKFJQIMRTWGO-HSZRJFAPSA-N 2 2 419.566 1.639 40 0 HDABLP Cc1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCc4nccn4C)cc3)C2)nc[nH+]1 ZINC000257269833 559284992 /nfs/dbraw/zinc/28/49/92/559284992.db2.gz MROUIZYMQQUSLS-JOCHJYFZSA-N 2 2 408.506 1.829 40 0 HDABLP C[NH+]1CCN(N2C[NH+]=C3N[C@@H](c4ccccc4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171495 560872406 /nfs/dbraw/zinc/87/24/06/560872406.db2.gz UHFUSNVKAWAOJB-HXUWFJFHSA-N 2 2 402.506 1.742 40 0 HDABLP Cn1nc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)c2ccccc21 ZINC000248023904 568747156 /nfs/dbraw/zinc/74/71/56/568747156.db2.gz IXRQVWYQUUYTEU-XMSQKQJNSA-N 2 2 400.523 1.656 40 0 HDABLP Cn1nc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)c2ccccc21 ZINC000248023904 568747159 /nfs/dbraw/zinc/74/71/59/568747159.db2.gz IXRQVWYQUUYTEU-XMSQKQJNSA-N 2 2 400.523 1.656 40 0 HDABLP CC(=O)NCc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000019699287 569346938 /nfs/dbraw/zinc/34/69/38/569346938.db2.gz NPQGASCJGVMZGO-YADHBBJMSA-N 2 2 421.545 1.712 40 0 HDABLP CC(=O)NCc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000019699287 569346939 /nfs/dbraw/zinc/34/69/39/569346939.db2.gz NPQGASCJGVMZGO-YADHBBJMSA-N 2 2 421.545 1.712 40 0 HDABLP CN1[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000022923142 291193405 /nfs/dbraw/zinc/19/34/05/291193405.db2.gz MFUQSDAAJZOTCY-VWPQPMDRSA-N 2 2 413.566 1.373 40 0 biogenic,in-vitro HDABLP CN1[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000022923142 291193406 /nfs/dbraw/zinc/19/34/06/291193406.db2.gz MFUQSDAAJZOTCY-VWPQPMDRSA-N 2 2 413.566 1.373 40 0 biogenic,in-vitro HDABLP CNc1cc(N2CCC[C@@](O)(CNC(=O)CCC[NH+]3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000585263186 559111914 /nfs/dbraw/zinc/11/19/14/559111914.db2.gz ICJSDLGFAXVZTR-HSZRJFAPSA-N 2 2 424.549 1.762 40 0 HDABLP CNc1cc(N2CCC[C@@](O)(CNC(=O)CCC[NH+]3Cc4ccccc4C3)C2)[nH+]cn1 ZINC000585263186 559111915 /nfs/dbraw/zinc/11/19/15/559111915.db2.gz ICJSDLGFAXVZTR-HSZRJFAPSA-N 2 2 424.549 1.762 40 0 HDABLP CC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC000585274551 559118741 /nfs/dbraw/zinc/11/87/41/559118741.db2.gz YFGUESXOIOXEKP-QHCPKHFHSA-N 3 2 418.582 1.164 40 0 HDABLP CC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC000585274551 559118742 /nfs/dbraw/zinc/11/87/42/559118742.db2.gz YFGUESXOIOXEKP-QHCPKHFHSA-N 3 2 418.582 1.164 40 0 HDABLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NCC1(O)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000257257876 568792283 /nfs/dbraw/zinc/79/22/83/568792283.db2.gz KRLLNSSIBVPIES-IBGZPJMESA-N 2 2 421.501 1.353 40 0 HDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)C2)nc[nH+]1 ZINC000257301466 568804759 /nfs/dbraw/zinc/80/47/59/568804759.db2.gz RYNPKJNGSUJHNB-QHCPKHFHSA-N 2 2 424.549 1.250 40 0 HDABLP CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306123474 568886524 /nfs/dbraw/zinc/88/65/24/568886524.db2.gz AOFQCKWFYLJCQS-FGZHOGPDSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306123474 568886527 /nfs/dbraw/zinc/88/65/27/568886527.db2.gz AOFQCKWFYLJCQS-FGZHOGPDSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@@H]1CC[NH+](CC2CCOCC2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306123474 568886530 /nfs/dbraw/zinc/88/65/30/568886530.db2.gz AOFQCKWFYLJCQS-FGZHOGPDSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@@H]1CC[NH+](CC2CCOCC2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306123474 568886532 /nfs/dbraw/zinc/88/65/32/568886532.db2.gz AOFQCKWFYLJCQS-FGZHOGPDSA-N 2 2 421.607 1.929 40 0 HDABLP COCCNC(=O)Cn1cc(C[NH+]2CCC([NH+]3CCOCC3)CC2)c2ccccc21 ZINC000012240783 558360403 /nfs/dbraw/zinc/36/04/03/558360403.db2.gz ASOOHSGRKVMELT-UHFFFAOYSA-N 2 2 414.550 1.701 40 0 HDABLP C[C@@H]1C[NH+](C[C@@H](O)C[NH+]2CCC[C@H](C)C2)C[C@H](C)N1C[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000022868767 558518104 /nfs/dbraw/zinc/51/81/04/558518104.db2.gz VIIYPGRJPRVVNW-FMWSTDPOSA-N 3 2 424.674 1.567 40 0 HDABLP C[C@@H]1C[NH+](C[C@@H](O)C[NH+]2CCC[C@H](C)C2)C[C@H](C)N1C[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000022868767 558518106 /nfs/dbraw/zinc/51/81/06/558518106.db2.gz VIIYPGRJPRVVNW-FMWSTDPOSA-N 3 2 424.674 1.567 40 0 HDABLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](C)C2)C[C@H](C)N1C[C@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000022868767 558518108 /nfs/dbraw/zinc/51/81/08/558518108.db2.gz VIIYPGRJPRVVNW-FMWSTDPOSA-N 3 2 424.674 1.567 40 0 HDABLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](C)C2)C[C@H](C)N1C[C@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000022868767 558518109 /nfs/dbraw/zinc/51/81/09/558518109.db2.gz VIIYPGRJPRVVNW-FMWSTDPOSA-N 3 2 424.674 1.567 40 0 HDABLP CCN(C(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000019660616 558951722 /nfs/dbraw/zinc/95/17/22/558951722.db2.gz CECIVDSXDVUUFR-UHFFFAOYSA-N 2 2 408.568 1.179 40 0 HDABLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC000585274546 559118603 /nfs/dbraw/zinc/11/86/03/559118603.db2.gz YFGUESXOIOXEKP-HSZRJFAPSA-N 3 2 418.582 1.164 40 0 HDABLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC000585274546 559118604 /nfs/dbraw/zinc/11/86/04/559118604.db2.gz YFGUESXOIOXEKP-HSZRJFAPSA-N 3 2 418.582 1.164 40 0 HDABLP CSc1ccc([C@@H]2[NH+]=C(N3CC[NH+](CCO)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289673 560757861 /nfs/dbraw/zinc/75/78/61/560757861.db2.gz NUPFPRBJBZVTIW-GOSISDBHSA-N 2 2 414.535 1.212 40 0 HDABLP Cc1cc(N2CCC(O)(CN(C)C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)c2cnccc2[nH+]1 ZINC000257245582 568789178 /nfs/dbraw/zinc/78/91/78/568789178.db2.gz IQFHBPWSWPTNDF-SFHVURJKSA-N 3 2 414.554 1.184 40 0 HDABLP CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CC[NH+]2CCCCC2)n(C)c1=O ZINC000010330401 557860576 /nfs/dbraw/zinc/86/05/76/557860576.db2.gz QNPXLEKCAOBUNF-OAHLLOKOSA-N 2 2 401.515 1.550 40 0 HDABLP COc1cc(C[NH2+]C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OCC[NH+](C)C ZINC000585273519 559117462 /nfs/dbraw/zinc/11/74/62/559117462.db2.gz QHDXEKJNMZCISO-QFIPXVFZSA-N 3 2 415.538 1.465 40 0 HDABLP O[C@@]1(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCN(c2ccc(F)cn2)C1 ZINC000585274315 559118717 /nfs/dbraw/zinc/11/87/17/559118717.db2.gz VFJMHZIOEJAVGJ-JOCHJYFZSA-N 2 2 400.498 1.784 40 0 HDABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257268605 559285023 /nfs/dbraw/zinc/28/50/23/559285023.db2.gz MMJZZQUTIKBAIU-HSZRJFAPSA-N 2 2 411.550 1.772 40 0 HDABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257268605 559285025 /nfs/dbraw/zinc/28/50/25/559285025.db2.gz MMJZZQUTIKBAIU-HSZRJFAPSA-N 2 2 411.550 1.772 40 0 HDABLP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](CCO)CC1)=[NH+][C@H]2c1ccc(Cl)cc1 ZINC000009289390 560757837 /nfs/dbraw/zinc/75/78/37/560757837.db2.gz VYGOFVZBBZWXIZ-QGZVFWFLSA-N 2 2 402.886 1.143 40 0 HDABLP Cc1cc2[nH+]c(CCC(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)[nH]c2c(C)c1 ZINC000257285167 568799946 /nfs/dbraw/zinc/79/99/46/568799946.db2.gz PFXUUBBEKZFASN-OALUTQOASA-N 2 2 400.523 1.796 40 0 HDABLP CCNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328986090 568971400 /nfs/dbraw/zinc/97/14/00/568971400.db2.gz HWCQSXRTKCHZOP-UHFFFAOYSA-N 2 2 424.471 1.977 40 0 HDABLP COc1ccc(-c2n[nH]cc2-c2c[nH+]cn2CC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000019719573 558257857 /nfs/dbraw/zinc/25/78/57/558257857.db2.gz LQLFLCJNOAIIRX-OAHLLOKOSA-N 2 2 401.492 1.726 40 0 HDABLP COc1cc2c(cc1-c1c[nH+]cn1CC[NH2+][C@H]1CCS(=O)(=O)C1)OCCCO2 ZINC000019720019 558258747 /nfs/dbraw/zinc/25/87/47/558258747.db2.gz ISEKHMWZHXGWFB-AWEZNQCLSA-N 2 2 407.492 1.497 40 0 HDABLP C[C@H](C[NH+]1CCOCC1)OC(=O)CCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000019798118 558284795 /nfs/dbraw/zinc/28/47/95/558284795.db2.gz RQMDUBJYRUZZRE-QZTJIDSGSA-N 2 2 400.516 1.075 40 0 HDABLP C[NH+]1CCN(C(=O)CC23CC4CC(C2)CC(CC(=O)N2CC[NH+](C)CC2)(C4)C3)CC1 ZINC000036625129 558800204 /nfs/dbraw/zinc/80/02/04/558800204.db2.gz IOSYPPKXENNHLH-UHFFFAOYSA-N 2 2 416.610 1.901 40 0 HDABLP NC(=O)C1CCN(C(=O)C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CC1 ZINC000019659192 558950645 /nfs/dbraw/zinc/95/06/45/558950645.db2.gz VOIRAPHKNZWTHU-UHFFFAOYSA-N 2 2 415.925 1.734 40 0 HDABLP O=C(NCC[NH+]1CCOCC1)c1ccc2ccc(N3CC[NH+](CC4CC4)CC3)n2c1 ZINC000096155921 559099976 /nfs/dbraw/zinc/09/99/76/559099976.db2.gz OVUHGPNKWXEWHQ-UHFFFAOYSA-N 2 2 411.550 1.533 40 0 HDABLP COCCOc1cc(C[NH2+]C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OC ZINC000257312643 559282881 /nfs/dbraw/zinc/28/28/81/559282881.db2.gz UOXXSZWNJPDWSU-OAQYLSRUSA-N 2 2 402.495 1.550 40 0 HDABLP Cc1[nH+]c2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257221327 568782217 /nfs/dbraw/zinc/78/22/17/568782217.db2.gz DOMSJEROMMCBMW-SYYKKAFVSA-N 2 2 400.523 1.855 40 0 HDABLP [NH3+]CCCOc1cccc(C(=O)NC[C@@]2(O)CCN(c3cc[nH+]c4ccncc43)C2)c1 ZINC000257303008 568805213 /nfs/dbraw/zinc/80/52/13/568805213.db2.gz SFKHXFCONWWRGV-QHCPKHFHSA-N 2 2 421.501 1.729 40 0 HDABLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(C[C@@H](CNC(=O)c5nccn5C)O4)CC3)n2c1 ZINC000306132556 568894753 /nfs/dbraw/zinc/89/47/53/568894753.db2.gz LLZULNVPKDFQGY-SFHVURJKSA-N 2 2 408.506 1.930 40 0 HDABLP COCC[N@@H+]1CCc2nc3n(c(=O)c2C1)[C@]1(CC3)CC[NH+](Cc2nccs2)C1 ZINC000306143234 568904805 /nfs/dbraw/zinc/90/48/05/568904805.db2.gz XWXFBYGZUXWXDN-HXUWFJFHSA-N 2 2 401.536 1.252 40 0 HDABLP COCC[N@H+]1CCc2nc3n(c(=O)c2C1)[C@]1(CC3)CC[NH+](Cc2nccs2)C1 ZINC000306143234 568904806 /nfs/dbraw/zinc/90/48/06/568904806.db2.gz XWXFBYGZUXWXDN-HXUWFJFHSA-N 2 2 401.536 1.252 40 0 HDABLP COCC[NH+]1CCc2nc3n(c(=O)c2C1)[C@]1(CC3)CC[N@H+](Cc2nccs2)C1 ZINC000306143234 568904807 /nfs/dbraw/zinc/90/48/07/568904807.db2.gz XWXFBYGZUXWXDN-HXUWFJFHSA-N 2 2 401.536 1.252 40 0 HDABLP COCC[NH+]1CCc2nc3n(c(=O)c2C1)[C@]1(CC3)CC[N@@H+](Cc2nccs2)C1 ZINC000306143234 568904808 /nfs/dbraw/zinc/90/48/08/568904808.db2.gz XWXFBYGZUXWXDN-HXUWFJFHSA-N 2 2 401.536 1.252 40 0 HDABLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCC3(CCOC3)CC2)C1 ZINC000585109400 559030396 /nfs/dbraw/zinc/03/03/96/559030396.db2.gz NBKOXTQNRUDYRY-RLLQIKCJSA-N 2 2 402.539 1.676 40 0 HDABLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCC3(CCOC3)CC2)C1 ZINC000585109400 559030398 /nfs/dbraw/zinc/03/03/98/559030398.db2.gz NBKOXTQNRUDYRY-RLLQIKCJSA-N 2 2 402.539 1.676 40 0 HDABLP CCOCCOc1ccc(C[NH2+]C[C@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)cc1 ZINC000257286769 559285503 /nfs/dbraw/zinc/28/55/03/559285503.db2.gz PMZJJIPVTDSPCJ-JOCHJYFZSA-N 2 2 415.538 1.689 40 0 HDABLP CCOCCOc1ccc(C[NH2+]C[C@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)cc1 ZINC000257286769 559285504 /nfs/dbraw/zinc/28/55/04/559285504.db2.gz PMZJJIPVTDSPCJ-JOCHJYFZSA-N 2 2 415.538 1.689 40 0 HDABLP Cc1ccccc1NC(=O)[C@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606974 560846682 /nfs/dbraw/zinc/84/66/82/560846682.db2.gz PBJCWZBUMSNUBX-HXUWFJFHSA-N 2 2 405.502 1.996 40 0 HDABLP [NH3+]CCOc1cccc(C(=O)NC[C@]2(O)CCN(c3cc[nH+]c4ccncc43)C2)c1 ZINC000257256937 568792058 /nfs/dbraw/zinc/79/20/58/568792058.db2.gz KNLPXULEMCWCAC-JOCHJYFZSA-N 2 2 407.474 1.339 40 0 HDABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5cnccn5)c43)C2)CC1 ZINC000020503707 575370147 /nfs/dbraw/zinc/37/01/47/575370147.db2.gz KIQIDSQRJGEWGW-JKSUJKDBSA-N 2 2 408.506 1.404 40 0 biogenic,in-vitro HDABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5cnccn5)c43)C2)CC1 ZINC000020503707 575370153 /nfs/dbraw/zinc/37/01/53/575370153.db2.gz KIQIDSQRJGEWGW-JKSUJKDBSA-N 2 2 408.506 1.404 40 0 biogenic,in-vitro HDABLP c1ccc2c(c1)nc1n2C2(CCCC2)NC2=[NH+]CN(CCC[NH+]3CCOCC3)CN12 ZINC000054095988 558865963 /nfs/dbraw/zinc/86/59/63/558865963.db2.gz PBEHJSHFDUCKNR-UHFFFAOYSA-N 2 2 409.538 1.982 40 0 HDABLP C[NH+]1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5cccnc5)C4)n3c2)CC1 ZINC000096267562 559108238 /nfs/dbraw/zinc/10/82/38/559108238.db2.gz ICGMTGLHLZAYIZ-GOSISDBHSA-N 2 2 405.506 1.501 40 0 HDABLP C[NH+]1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5cccnc5)C4)n3c2)CC1 ZINC000096267562 559108239 /nfs/dbraw/zinc/10/82/39/559108239.db2.gz ICGMTGLHLZAYIZ-GOSISDBHSA-N 2 2 405.506 1.501 40 0 HDABLP O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)NCC[NH+]1CCOCC1 ZINC000020504006 560093763 /nfs/dbraw/zinc/09/37/63/560093763.db2.gz UPGYQHICCACXSL-PMACEKPBSA-N 2 2 412.534 1.948 40 0 biogenic,in-vitro HDABLP C[NH2+]CCOc1cccc(C(=O)N(C)C[C@]2(O)CCN(c3cccc4[nH+]ccn43)C2)c1 ZINC000257255777 568791979 /nfs/dbraw/zinc/79/19/79/568791979.db2.gz KIVAAUJTUSUMMI-HSZRJFAPSA-N 2 2 423.517 1.646 40 0 HDABLP CC(C)n1c[nH+]c2c1[C@H](C(=O)NCC[NH+]1CCCC1)N(C(=O)c1cccnc1)CC2 ZINC000096265073 559107616 /nfs/dbraw/zinc/10/76/16/559107616.db2.gz RKDPUDLONODXAY-HXUWFJFHSA-N 2 2 410.522 1.811 40 0 HDABLP CNc1nc([C@H]2CC[NH2+]C2)nc2c1CC[N@H+](Cc1cc3c(cc1OC)OCCO3)C2 ZINC000257287959 568800779 /nfs/dbraw/zinc/80/07/79/568800779.db2.gz PSFAZBBRKIPASF-AWEZNQCLSA-N 2 2 411.506 1.933 40 0 HDABLP CNc1nc([C@H]2CC[NH2+]C2)nc2c1CC[N@@H+](Cc1cc3c(cc1OC)OCCO3)C2 ZINC000257287959 568800780 /nfs/dbraw/zinc/80/07/80/568800780.db2.gz PSFAZBBRKIPASF-AWEZNQCLSA-N 2 2 411.506 1.933 40 0 HDABLP C[NH+](C)CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257307634 568806988 /nfs/dbraw/zinc/80/69/88/568806988.db2.gz SZPHRSXHYALLSV-ICSRJNTNSA-N 2 2 402.539 1.008 40 0 HDABLP CS(=O)(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306123473 568886487 /nfs/dbraw/zinc/88/64/87/568886487.db2.gz AOFQCKWFYLJCQS-FCHUYYIVSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306123473 568886489 /nfs/dbraw/zinc/88/64/89/568886489.db2.gz AOFQCKWFYLJCQS-FCHUYYIVSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@H]1CC[NH+](CC2CCOCC2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306123473 568886492 /nfs/dbraw/zinc/88/64/92/568886492.db2.gz AOFQCKWFYLJCQS-FCHUYYIVSA-N 2 2 421.607 1.929 40 0 HDABLP CS(=O)(=O)N[C@H]1CC[NH+](CC2CCOCC2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306123473 568886493 /nfs/dbraw/zinc/88/64/93/568886493.db2.gz AOFQCKWFYLJCQS-FCHUYYIVSA-N 2 2 421.607 1.929 40 0 HDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccc(OC)c(OC)c1 ZINC000054121076 558866137 /nfs/dbraw/zinc/86/61/37/558866137.db2.gz BWRJZMQFEIHJBF-MSOLQXFVSA-N 2 2 418.494 1.048 40 0 HDABLP C[C@H]1C[NH+](CC(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)C[C@H](C)O1 ZINC000019497460 558896382 /nfs/dbraw/zinc/89/63/82/558896382.db2.gz OWUSTDYIANUGPL-IRXDYDNUSA-N 2 2 417.529 1.976 40 0 HDABLP CNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019710469 558972604 /nfs/dbraw/zinc/97/26/04/558972604.db2.gz IAEAQPZRTMMWJN-OAHLLOKOSA-N 2 2 410.522 1.991 40 0 HDABLP CNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019710469 558972605 /nfs/dbraw/zinc/97/26/05/558972605.db2.gz IAEAQPZRTMMWJN-OAHLLOKOSA-N 2 2 410.522 1.991 40 0 HDABLP NC(=O)C[N@@H+]1CCCC[C@H]2C[NH+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 ZINC000585282160 559119873 /nfs/dbraw/zinc/11/98/73/559119873.db2.gz BIGBIPCOSGVSJL-AZUAARDMSA-N 2 2 418.557 1.819 40 0 HDABLP NC(=O)C[N@H+]1CCCC[C@H]2C[NH+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 ZINC000585282160 559119875 /nfs/dbraw/zinc/11/98/75/559119875.db2.gz BIGBIPCOSGVSJL-AZUAARDMSA-N 2 2 418.557 1.819 40 0 HDABLP NC(=O)C[NH+]1CCCC[C@H]2C[N@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 ZINC000585282160 559119876 /nfs/dbraw/zinc/11/98/76/559119876.db2.gz BIGBIPCOSGVSJL-AZUAARDMSA-N 2 2 418.557 1.819 40 0 HDABLP NC(=O)C[NH+]1CCCC[C@H]2C[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 ZINC000585282160 559119878 /nfs/dbraw/zinc/11/98/78/559119878.db2.gz BIGBIPCOSGVSJL-AZUAARDMSA-N 2 2 418.557 1.819 40 0 HDABLP Cc1cccc(N2CCC(O)(C[N@@H+]3CC[C@@H]4[C@H](C3)CCCC[NH+]4CC(N)=O)CC2)c1 ZINC000585284469 559121177 /nfs/dbraw/zinc/12/11/77/559121177.db2.gz SLIPZVGUBMFXFC-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1cccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@H](C3)CCCC[NH+]4CC(N)=O)CC2)c1 ZINC000585284469 559121179 /nfs/dbraw/zinc/12/11/79/559121179.db2.gz SLIPZVGUBMFXFC-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1cccc(N2CCC(O)(C[NH+]3CC[C@@H]4[C@H](C3)CCCC[N@@H+]4CC(N)=O)CC2)c1 ZINC000585284469 559121181 /nfs/dbraw/zinc/12/11/81/559121181.db2.gz SLIPZVGUBMFXFC-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP Cc1cccc(N2CCC(O)(C[NH+]3CC[C@@H]4[C@H](C3)CCCC[N@H+]4CC(N)=O)CC2)c1 ZINC000585284469 559121182 /nfs/dbraw/zinc/12/11/82/559121182.db2.gz SLIPZVGUBMFXFC-RBBKRZOGSA-N 2 2 414.594 1.988 40 0 HDABLP CCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257218400 568781414 /nfs/dbraw/zinc/78/14/14/568781414.db2.gz DCZUZWWNVQTYCZ-SFGWALBWSA-N 2 2 400.523 1.719 40 0 HDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)nc[nH+]1 ZINC000257219742 568781821 /nfs/dbraw/zinc/78/18/21/568781821.db2.gz DHZLBYBSVHEMSB-QFIPXVFZSA-N 2 2 413.522 1.439 40 0 HDABLP CNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328970861 568970502 /nfs/dbraw/zinc/97/05/02/568970502.db2.gz DNADTHKCSWUCEQ-UHFFFAOYSA-N 2 2 410.444 1.587 40 0 HDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008635640 291195013 /nfs/dbraw/zinc/19/50/13/291195013.db2.gz PXYDWAKECVDFSM-BBTUJRGHSA-N 2 2 404.530 1.421 40 0 biogenic,in-vitro HDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000019817754 558288082 /nfs/dbraw/zinc/28/80/82/558288082.db2.gz BWRJZMQFEIHJBF-ZWKOTPCHSA-N 2 2 418.494 1.048 40 0 HDABLP COCCOc1cc(C[N@H+](C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OC ZINC000585269726 559116069 /nfs/dbraw/zinc/11/60/69/559116069.db2.gz JBLSKZAXZALASQ-JOCHJYFZSA-N 2 2 416.522 1.892 40 0 HDABLP COCCOc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OC ZINC000585269726 559116070 /nfs/dbraw/zinc/11/60/70/559116070.db2.gz JBLSKZAXZALASQ-JOCHJYFZSA-N 2 2 416.522 1.892 40 0 HDABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000585273000 559117286 /nfs/dbraw/zinc/11/72/86/559117286.db2.gz OCMXWNDAPMSGNB-QHCPKHFHSA-N 2 2 411.550 1.772 40 0 HDABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000585273000 559117288 /nfs/dbraw/zinc/11/72/88/559117288.db2.gz OCMXWNDAPMSGNB-QHCPKHFHSA-N 2 2 411.550 1.772 40 0 HDABLP CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257323085 568811197 /nfs/dbraw/zinc/81/11/97/568811197.db2.gz WIRXJIDVSJYISP-SFTDATJTSA-N 2 2 414.550 1.919 40 0 HDABLP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@]12C[N@H+](Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139047 568900887 /nfs/dbraw/zinc/90/08/87/568900887.db2.gz SNZFVBVUHFXVKD-IRLDBZIGSA-N 2 2 412.538 1.459 40 0 HDABLP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@]12C[N@@H+](Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139047 568900888 /nfs/dbraw/zinc/90/08/88/568900888.db2.gz SNZFVBVUHFXVKD-IRLDBZIGSA-N 2 2 412.538 1.459 40 0 HDABLP C[NH2+]CCOc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc4[nH+]ccn43)C2)c1 ZINC000257255778 568791831 /nfs/dbraw/zinc/79/18/31/568791831.db2.gz KIVAAUJTUSUMMI-QHCPKHFHSA-N 2 2 423.517 1.646 40 0 HDABLP Cc1cc2[nH+]c(CCC(=O)N[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)[nH]c2c(C)c1 ZINC000257265802 568794421 /nfs/dbraw/zinc/79/44/21/568794421.db2.gz MAIZTAOESNHSBP-RADWXHQJSA-N 2 2 400.523 1.843 40 0 HDABLP c1ccc2c(c1)nc1n2C2(CCCCC2)NC2=[NH+]CN(CC[NH+]3CCOCC3)CN12 ZINC000020676452 558400166 /nfs/dbraw/zinc/40/01/66/558400166.db2.gz PPDRPJDSWDLYGB-UHFFFAOYSA-N 2 2 409.538 1.982 40 0 HDABLP C[NH+]1CCN(C(=O)[C@H]2Cn3ccnc3C3(CC[NH+](Cc4nccs4)CC3)O2)CC1 ZINC000096243746 559104879 /nfs/dbraw/zinc/10/48/79/559104879.db2.gz GFKUHMABKOFALF-MRXNPFEDSA-N 2 2 416.551 1.004 40 0 HDABLP COCCOc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OC ZINC000585269729 559116140 /nfs/dbraw/zinc/11/61/40/559116140.db2.gz JBLSKZAXZALASQ-QFIPXVFZSA-N 2 2 416.522 1.892 40 0 HDABLP COCCOc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OC ZINC000585269729 559116142 /nfs/dbraw/zinc/11/61/42/559116142.db2.gz JBLSKZAXZALASQ-QFIPXVFZSA-N 2 2 416.522 1.892 40 0 HDABLP O[C@]1(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCN(c2ccc(F)cn2)C1 ZINC000585274319 559118689 /nfs/dbraw/zinc/11/86/89/559118689.db2.gz VFJMHZIOEJAVGJ-QFIPXVFZSA-N 2 2 400.498 1.784 40 0 HDABLP OCCOc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257218815 559282911 /nfs/dbraw/zinc/28/29/11/559282911.db2.gz DEMZPXAGKFQLHD-DEOSSOPVSA-N 2 2 411.546 1.817 40 0 HDABLP OCCOc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257218815 559282913 /nfs/dbraw/zinc/28/29/13/559282913.db2.gz DEMZPXAGKFQLHD-DEOSSOPVSA-N 2 2 411.546 1.817 40 0 HDABLP CN(C)c1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCCCO)cc3)C2)nc[nH+]1 ZINC000257238244 559284016 /nfs/dbraw/zinc/28/40/16/559284016.db2.gz HKCJJFRXCZTMNT-OAQYLSRUSA-N 2 2 401.511 1.035 40 0 HDABLP CN(C)c1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCCCO)cc3)C2)[nH+]cn1 ZINC000257238244 559284017 /nfs/dbraw/zinc/28/40/17/559284017.db2.gz HKCJJFRXCZTMNT-OAQYLSRUSA-N 2 2 401.511 1.035 40 0 HDABLP CCc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257275728 568797309 /nfs/dbraw/zinc/79/73/09/568797309.db2.gz NQQOTAGWTSWUTB-PMACEKPBSA-N 2 2 400.523 1.673 40 0 HDABLP CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CC[NH+]2CCCCC2)n(C)c1=O ZINC000010330406 557860597 /nfs/dbraw/zinc/86/05/97/557860597.db2.gz QNPXLEKCAOBUNF-HNNXBMFYSA-N 2 2 401.515 1.550 40 0 HDABLP Cc1nc(C)c(C[N@@H+]2CCO[C@]3(CO[C@@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102291 559025961 /nfs/dbraw/zinc/02/59/61/559025961.db2.gz WDXQUHNZIWISKH-XLIONFOSSA-N 2 2 419.551 1.523 40 0 HDABLP Cc1nc(C)c(C[N@H+]2CCO[C@]3(CO[C@@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102291 559025963 /nfs/dbraw/zinc/02/59/63/559025963.db2.gz WDXQUHNZIWISKH-XLIONFOSSA-N 2 2 419.551 1.523 40 0 HDABLP Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000096234484 559103150 /nfs/dbraw/zinc/10/31/50/559103150.db2.gz UPTBCKUHLHXIEV-UHFFFAOYSA-N 2 2 408.568 1.147 40 0 HDABLP C[NH+]1CCN([C@H]2C[N@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C[C@@H]2O)CC1 ZINC000585270795 559116539 /nfs/dbraw/zinc/11/65/39/559116539.db2.gz BERJXDXXSOUWAR-GOTSBHOMSA-N 3 2 402.583 1.344 40 0 HDABLP C[NH+]1CCN([C@H]2C[N@@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C[C@@H]2O)CC1 ZINC000585270795 559116540 /nfs/dbraw/zinc/11/65/40/559116540.db2.gz BERJXDXXSOUWAR-GOTSBHOMSA-N 3 2 402.583 1.344 40 0 HDABLP CN(C[C@@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257305726 568806330 /nfs/dbraw/zinc/80/63/30/568806330.db2.gz SRFJVGNMIJVSAI-QHCPKHFHSA-N 2 2 423.517 1.775 40 0 HDABLP CNc1cc(N2CCC[C@](O)(CNC(=O)CCC[NH+]3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000585263187 559111907 /nfs/dbraw/zinc/11/19/07/559111907.db2.gz ICJSDLGFAXVZTR-QHCPKHFHSA-N 2 2 424.549 1.762 40 0 HDABLP CNc1cc(N2CCC[C@](O)(CNC(=O)CCC[NH+]3Cc4ccccc4C3)C2)[nH+]cn1 ZINC000585263187 559111909 /nfs/dbraw/zinc/11/19/09/559111909.db2.gz ICJSDLGFAXVZTR-QHCPKHFHSA-N 2 2 424.549 1.762 40 0 HDABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257268606 559285057 /nfs/dbraw/zinc/28/50/57/559285057.db2.gz MMJZZQUTIKBAIU-QHCPKHFHSA-N 2 2 411.550 1.772 40 0 HDABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257268606 559285059 /nfs/dbraw/zinc/28/50/59/559285059.db2.gz MMJZZQUTIKBAIU-QHCPKHFHSA-N 2 2 411.550 1.772 40 0 HDABLP COc1cc2c(cc1-c1c[nH+]cn1CC[NH2+][C@@H]1CCS(=O)(=O)C1)OCCCO2 ZINC000019720018 558258656 /nfs/dbraw/zinc/25/86/56/558258656.db2.gz ISEKHMWZHXGWFB-CQSZACIVSA-N 2 2 407.492 1.497 40 0 HDABLP CN(CC1(O)CCN(c2cccc3[nH+]ccn32)CC1)C(=O)c1ccc(OCC[NH3+])cc1 ZINC000257291516 568802049 /nfs/dbraw/zinc/80/20/49/568802049.db2.gz QHIHSSCOBRLJQF-UHFFFAOYSA-N 2 2 423.517 1.775 40 0 HDABLP C[NH+]1CCN(C[C@H]2CC3(CC[NH+](Cc4cccc(N5CCOCC5)n4)CC3)O2)CC1 ZINC000306127267 568889961 /nfs/dbraw/zinc/88/99/61/568889961.db2.gz FTNYFSAGSZQXEB-OAQYLSRUSA-N 2 2 415.582 1.289 40 0 HDABLP CN1CC[NH+](C[C@H]2CC3(CC[NH+](Cc4cccc(N5CCOCC5)n4)CC3)O2)CC1 ZINC000306127267 568889962 /nfs/dbraw/zinc/88/99/62/568889962.db2.gz FTNYFSAGSZQXEB-OAQYLSRUSA-N 2 2 415.582 1.289 40 0 HDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccc(OC)c(OC)c1 ZINC000019817760 558288220 /nfs/dbraw/zinc/28/82/20/558288220.db2.gz BWRJZMQFEIHJBF-ROUUACIJSA-N 2 2 418.494 1.048 40 0 HDABLP Cc1cccnc1C[N@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000019714018 558973790 /nfs/dbraw/zinc/97/37/90/558973790.db2.gz QTTVQZGTHHAQCL-UHFFFAOYSA-N 2 2 408.550 1.885 40 0 HDABLP Cc1cccnc1C[N@@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000019714018 558973793 /nfs/dbraw/zinc/97/37/93/558973793.db2.gz QTTVQZGTHHAQCL-UHFFFAOYSA-N 2 2 408.550 1.885 40 0 HDABLP OCCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257297475 559285939 /nfs/dbraw/zinc/28/59/39/559285939.db2.gz RHJURTMOORFILK-HXUWFJFHSA-N 2 2 414.493 1.742 40 0 HDABLP OCCOCCOc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257297475 559285941 /nfs/dbraw/zinc/28/59/41/559285941.db2.gz RHJURTMOORFILK-HXUWFJFHSA-N 2 2 414.493 1.742 40 0 HDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCC[NH+](C)C)c3)C2)nc[nH+]1 ZINC000257297989 568804035 /nfs/dbraw/zinc/80/40/35/568804035.db2.gz RJQKEIWRDSAPNN-QFIPXVFZSA-N 2 2 413.522 1.439 40 0 HDABLP COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425664 291195155 /nfs/dbraw/zinc/19/51/55/291195155.db2.gz FNHZJPYNDQQHET-INIZCTEOSA-N 2 2 400.483 1.948 40 0 biogenic,in-vitro HDABLP COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425664 291195157 /nfs/dbraw/zinc/19/51/57/291195157.db2.gz FNHZJPYNDQQHET-INIZCTEOSA-N 2 2 400.483 1.948 40 0 biogenic,in-vitro HDABLP C[C@@H]1C[NH+](CC(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)C[C@@H](C)O1 ZINC000019497458 558896310 /nfs/dbraw/zinc/89/63/10/558896310.db2.gz OWUSTDYIANUGPL-IAGOWNOFSA-N 2 2 417.529 1.976 40 0 HDABLP Cc1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCCn4cccn4)cc3)C2)nc[nH+]1 ZINC000257325654 559283174 /nfs/dbraw/zinc/28/31/74/559283174.db2.gz WTVANTGGYNXWLN-JOCHJYFZSA-N 2 2 408.506 1.792 40 0 HDABLP Cc1[nH+]c2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257223849 568783093 /nfs/dbraw/zinc/78/30/93/568783093.db2.gz DZESHSKTXYEGBA-VXKWHMMOSA-N 2 2 413.566 1.724 40 0 HDABLP CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC000257269520 568795629 /nfs/dbraw/zinc/79/56/29/568795629.db2.gz MQIRUDACFAAZMJ-JOCHJYFZSA-N 2 2 406.490 1.985 40 0 HDABLP CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC000257269520 568795630 /nfs/dbraw/zinc/79/56/30/568795630.db2.gz MQIRUDACFAAZMJ-JOCHJYFZSA-N 2 2 406.490 1.985 40 0 HDABLP Cc1cc(N2CC[C@@](O)(CNC(=O)c3cccc(OCC[NH3+])c3)C2)c2cnccc2[nH+]1 ZINC000257271262 568796003 /nfs/dbraw/zinc/79/60/03/568796003.db2.gz MXOWBAXJLAQFGU-HSZRJFAPSA-N 2 2 421.501 1.647 40 0 HDABLP [NH3+]CCCOc1cccc(C(=O)NC[C@]2(O)CCN(c3cc[nH+]c4ccncc43)C2)c1 ZINC000257303007 568805258 /nfs/dbraw/zinc/80/52/58/568805258.db2.gz SFKHXFCONWWRGV-HSZRJFAPSA-N 2 2 421.501 1.729 40 0 HDABLP O=C(C[NH2+]Cc1ccccc1F)N1CCN(C(=O)C[NH2+]Cc2ccccc2F)CC1 ZINC000035311414 569031096 /nfs/dbraw/zinc/03/10/96/569031096.db2.gz QYCUDAASJRPJEB-UHFFFAOYSA-N 2 2 416.472 1.515 40 0 HDABLP CC(=O)N1CCC([NH+]2CCC(O)(c3csc(CN4CC[NH+](C)CC4)n3)CC2)CC1 ZINC000225424822 291190253 /nfs/dbraw/zinc/19/02/53/291190253.db2.gz ZWOUPDLOSCWKOV-UHFFFAOYSA-N 2 2 421.611 1.185 40 0 biogenic,in-vitro HDABLP CNc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019710470 558972572 /nfs/dbraw/zinc/97/25/72/558972572.db2.gz IAEAQPZRTMMWJN-HNNXBMFYSA-N 2 2 410.522 1.991 40 0 HDABLP CNc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019710470 558972574 /nfs/dbraw/zinc/97/25/74/558972574.db2.gz IAEAQPZRTMMWJN-HNNXBMFYSA-N 2 2 410.522 1.991 40 0 HDABLP C[NH+]1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5cccnc5)C4)n3c2)CC1 ZINC000096267563 559108152 /nfs/dbraw/zinc/10/81/52/559108152.db2.gz ICGMTGLHLZAYIZ-SFHVURJKSA-N 2 2 405.506 1.501 40 0 HDABLP C[NH+]1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5cccnc5)C4)n3c2)CC1 ZINC000096267563 559108154 /nfs/dbraw/zinc/10/81/54/559108154.db2.gz ICGMTGLHLZAYIZ-SFHVURJKSA-N 2 2 405.506 1.501 40 0 HDABLP O[C@@H]1[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1 ZINC000020463769 560092891 /nfs/dbraw/zinc/09/28/91/560092891.db2.gz ZGAFQFNSHFVCQI-ZSXJVMONSA-N 2 2 409.530 1.979 40 0 biogenic,in-vitro HDABLP [NH3+]CCOc1ccc(C(=O)NCC2(O)CCN(c3cc[nH+]c4ccncc43)CC2)cc1 ZINC000257225318 568783525 /nfs/dbraw/zinc/78/35/25/568783525.db2.gz FFSHFBDRFFQVML-UHFFFAOYSA-N 2 2 421.501 1.729 40 0 HDABLP Cc1cc(N2CC[C@](O)(CNC(=O)c3cccc(OCC[NH3+])c3)C2)c2cnccc2[nH+]1 ZINC000257271263 568795972 /nfs/dbraw/zinc/79/59/72/568795972.db2.gz MXOWBAXJLAQFGU-QHCPKHFHSA-N 2 2 421.501 1.647 40 0 HDABLP Cc1cc(OCC(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)c2cccc(C)c2[nH+]1 ZINC000257344323 568817325 /nfs/dbraw/zinc/81/73/25/568817325.db2.gz ZWSCMZSGWZVZET-PMACEKPBSA-N 2 2 413.518 1.915 40 0 HDABLP CCn1c2ccc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)cc2n(CC)c1=O ZINC000019719648 558258256 /nfs/dbraw/zinc/25/82/56/558258256.db2.gz BZKUFQLZNRVMDQ-INIZCTEOSA-N 2 2 417.535 1.483 40 0 HDABLP COc1cc(C[N@@H+]2CC[C@@](O)(CN3CC[NH+](C)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585272934 559117103 /nfs/dbraw/zinc/11/71/03/559117103.db2.gz NMJUQOSXGCHDOD-HSZRJFAPSA-N 3 2 420.598 1.210 40 0 HDABLP COc1cc(C[N@H+]2CC[C@@](O)(CN3CC[NH+](C)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585272934 559117105 /nfs/dbraw/zinc/11/71/05/559117105.db2.gz NMJUQOSXGCHDOD-HSZRJFAPSA-N 3 2 420.598 1.210 40 0 HDABLP COc1cc(C[NH2+]C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OCC[NH+](C)C ZINC000585273517 559117478 /nfs/dbraw/zinc/11/74/78/559117478.db2.gz QHDXEKJNMZCISO-JOCHJYFZSA-N 3 2 415.538 1.465 40 0 HDABLP Cc1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCCn4cccn4)cc3)C2)nc[nH+]1 ZINC000257325655 559283168 /nfs/dbraw/zinc/28/31/68/559283168.db2.gz WTVANTGGYNXWLN-QFIPXVFZSA-N 2 2 408.506 1.792 40 0 HDABLP Cc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606973 560846753 /nfs/dbraw/zinc/84/67/53/560846753.db2.gz PBJCWZBUMSNUBX-FQEVSTJZSA-N 2 2 405.502 1.996 40 0 HDABLP Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257236317 568786571 /nfs/dbraw/zinc/78/65/71/568786571.db2.gz HBOOUOVIDXWMOM-SFGWALBWSA-N 2 2 400.523 1.692 40 0 HDABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)C[N@H+](CC3CC3)CCO2)CC1 ZINC000257269442 568795421 /nfs/dbraw/zinc/79/54/21/568795421.db2.gz MPYFRXVTTORMSX-QFIPXVFZSA-N 2 2 405.514 1.850 40 0 HDABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)C[N@@H+](CC3CC3)CCO2)CC1 ZINC000257269442 568795422 /nfs/dbraw/zinc/79/54/22/568795422.db2.gz MPYFRXVTTORMSX-QFIPXVFZSA-N 2 2 405.514 1.850 40 0 HDABLP CN(C[C@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000257290206 568801422 /nfs/dbraw/zinc/80/14/22/568801422.db2.gz QCAIGGAGSVUIFW-JOCHJYFZSA-N 2 2 409.490 1.385 40 0 HDABLP CCc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257342268 568816819 /nfs/dbraw/zinc/81/68/19/568816819.db2.gz ZNVLLEMBZLTTGD-WOIUINJBSA-N 2 2 400.523 1.671 40 0 HDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000054121079 558866306 /nfs/dbraw/zinc/86/63/06/558866306.db2.gz BWRJZMQFEIHJBF-QZTJIDSGSA-N 2 2 418.494 1.048 40 0 HDABLP COc1cc(C[NH2+]C[C@@]2(O)CCN(c3cccc[nH+]3)C2)ccc1OCC[NH+](C)C ZINC000585273732 559118347 /nfs/dbraw/zinc/11/83/47/559118347.db2.gz RMJRPDZCLPBFBN-QFIPXVFZSA-N 3 2 400.523 1.762 40 0 HDABLP CN(CC1(O)CCN(c2cccc3[nH+]ccn32)CC1)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000257202694 568776981 /nfs/dbraw/zinc/77/69/81/568776981.db2.gz AMWXYBDGBSJDPD-IBGZPJMESA-N 2 2 423.517 1.400 40 0 HDABLP CN(C[C@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257305725 568806351 /nfs/dbraw/zinc/80/63/51/568806351.db2.gz SRFJVGNMIJVSAI-HSZRJFAPSA-N 2 2 423.517 1.775 40 0 HDABLP [NH3+]CCCOc1ccc(C(=O)NC[C@@]2(O)CCN(c3cc[nH+]c4ccncc43)C2)cc1 ZINC000257331502 568813597 /nfs/dbraw/zinc/81/35/97/568813597.db2.gz XTCUMCGPDZNNOW-QHCPKHFHSA-N 2 2 421.501 1.729 40 0 HDABLP C[N@H+](Cc1cn(C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)NC2CC2)nn1)Cc1ccccc1 ZINC000008299306 291193422 /nfs/dbraw/zinc/19/34/22/291193422.db2.gz UHSFBSCCYXLALK-BWAGFHJFSA-N 2 2 408.550 1.899 40 0 biogenic,in-vitro HDABLP C[N@@H+](Cc1cn(C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)NC2CC2)nn1)Cc1ccccc1 ZINC000008299306 291193424 /nfs/dbraw/zinc/19/34/24/291193424.db2.gz UHSFBSCCYXLALK-BWAGFHJFSA-N 2 2 408.550 1.899 40 0 biogenic,in-vitro HDABLP C[NH+](Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NC2CC2)nn1)Cc1ccccc1 ZINC000008299306 291193429 /nfs/dbraw/zinc/19/34/29/291193429.db2.gz UHSFBSCCYXLALK-BWAGFHJFSA-N 2 2 408.550 1.899 40 0 biogenic,in-vitro HDABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCN(c2ccccn2)CC1)c1ccco1 ZINC000020503888 291199864 /nfs/dbraw/zinc/19/98/64/291199864.db2.gz VTAIUASQZPAGGI-SLFFLAALSA-N 2 2 409.534 1.937 40 0 biogenic,in-vitro HDABLP C[C@@H]1C[NH+](C[C@@H](O)C[NH+]2CCC[C@H](C)C2)CCN1C[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000022580055 558500066 /nfs/dbraw/zinc/50/00/66/558500066.db2.gz BJPTXBJPXSMOAI-USWKJHDZSA-N 3 2 410.647 1.178 40 0 HDABLP C[C@@H]1C[NH+](C[C@@H](O)C[NH+]2CCC[C@H](C)C2)CCN1C[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000022580055 558500068 /nfs/dbraw/zinc/50/00/68/558500068.db2.gz BJPTXBJPXSMOAI-USWKJHDZSA-N 3 2 410.647 1.178 40 0 HDABLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](C)C2)CCN1C[C@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000022580055 558500069 /nfs/dbraw/zinc/50/00/69/558500069.db2.gz BJPTXBJPXSMOAI-USWKJHDZSA-N 3 2 410.647 1.178 40 0 HDABLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](C)C2)CCN1C[C@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000022580055 558500072 /nfs/dbraw/zinc/50/00/72/558500072.db2.gz BJPTXBJPXSMOAI-USWKJHDZSA-N 3 2 410.647 1.178 40 0 HDABLP C[N@@H+]1CCc2nc(NC(=O)COc3ccc(C[NH+]4CCOCC4)cc3)sc2C1 ZINC000019660166 558951433 /nfs/dbraw/zinc/95/14/33/558951433.db2.gz ZZGYLCVOYUMEEO-UHFFFAOYSA-N 2 2 402.520 1.981 40 0 HDABLP C[N@H+]1CCc2nc(NC(=O)COc3ccc(C[NH+]4CCOCC4)cc3)sc2C1 ZINC000019660166 558951436 /nfs/dbraw/zinc/95/14/36/558951436.db2.gz ZZGYLCVOYUMEEO-UHFFFAOYSA-N 2 2 402.520 1.981 40 0 HDABLP COCCOc1cc(C[NH2+]C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)ccc1OC ZINC000257312642 559282903 /nfs/dbraw/zinc/28/29/03/559282903.db2.gz UOXXSZWNJPDWSU-NRFANRHFSA-N 2 2 402.495 1.550 40 0 HDABLP CSc1ccc([C@H]2[NH+]=C(N3CC[NH+](CCO)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289669 560757832 /nfs/dbraw/zinc/75/78/32/560757832.db2.gz NUPFPRBJBZVTIW-SFHVURJKSA-N 2 2 414.535 1.212 40 0 HDABLP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](CCO)CC1)=[NH+][C@@H]2c1ccc(Cl)cc1 ZINC000009289388 560757887 /nfs/dbraw/zinc/75/78/87/560757887.db2.gz VYGOFVZBBZWXIZ-KRWDZBQOSA-N 2 2 402.886 1.143 40 0 HDABLP CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC000257269521 568795579 /nfs/dbraw/zinc/79/55/79/568795579.db2.gz MQIRUDACFAAZMJ-QFIPXVFZSA-N 2 2 406.490 1.985 40 0 HDABLP CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC000257269521 568795580 /nfs/dbraw/zinc/79/55/80/568795580.db2.gz MQIRUDACFAAZMJ-QFIPXVFZSA-N 2 2 406.490 1.985 40 0 HDABLP CNc1nc([C@@H]2CC[NH2+]C2)nc2c1CC[N@H+](Cc1cc3c(cc1OC)OCCO3)C2 ZINC000257287960 568800785 /nfs/dbraw/zinc/80/07/85/568800785.db2.gz PSFAZBBRKIPASF-CQSZACIVSA-N 2 2 411.506 1.933 40 0 HDABLP CNc1nc([C@@H]2CC[NH2+]C2)nc2c1CC[N@@H+](Cc1cc3c(cc1OC)OCCO3)C2 ZINC000257287960 568800786 /nfs/dbraw/zinc/80/07/86/568800786.db2.gz PSFAZBBRKIPASF-CQSZACIVSA-N 2 2 411.506 1.933 40 0 HDABLP CN(C)C(=O)C[NH2+][C@H]1CCCC[C@@]12C[N@H+](Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139048 568900915 /nfs/dbraw/zinc/90/09/15/568900915.db2.gz SNZFVBVUHFXVKD-RBBKRZOGSA-N 2 2 412.538 1.459 40 0 HDABLP CN(C)C(=O)C[NH2+][C@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139048 568900916 /nfs/dbraw/zinc/90/09/16/568900916.db2.gz SNZFVBVUHFXVKD-RBBKRZOGSA-N 2 2 412.538 1.459 40 0 HDABLP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@]12C[N@H+](Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139046 568900919 /nfs/dbraw/zinc/90/09/19/568900919.db2.gz SNZFVBVUHFXVKD-IFMALSPDSA-N 2 2 412.538 1.459 40 0 HDABLP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139046 568900920 /nfs/dbraw/zinc/90/09/20/568900920.db2.gz SNZFVBVUHFXVKD-IFMALSPDSA-N 2 2 412.538 1.459 40 0 HDABLP