smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccsc3)o2)cc1 ZINC000052803277 214147521 /nfs/dbraw/zinc/14/75/21/214147521.db2.gz YHWCFVCZAGOMCN-HNNXBMFYSA-N 1 1 345.855 4.789 50 0 EJAAMO Clc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccsc3)o2)cc1 ZINC000052803277 214147525 /nfs/dbraw/zinc/14/75/25/214147525.db2.gz YHWCFVCZAGOMCN-HNNXBMFYSA-N 1 1 345.855 4.789 50 0 EJAAMO c1cc(C[N@H+](Cc2cccnc2)Cc2cccc3cnccc32)cs1 ZINC000055284005 214301498 /nfs/dbraw/zinc/30/14/98/214301498.db2.gz WHLLEPUSBPHTCL-UHFFFAOYSA-N 1 1 345.471 4.894 50 0 EJAAMO c1cc(C[N@@H+](Cc2cccnc2)Cc2cccc3cnccc32)cs1 ZINC000055284005 214301502 /nfs/dbraw/zinc/30/15/02/214301502.db2.gz WHLLEPUSBPHTCL-UHFFFAOYSA-N 1 1 345.471 4.894 50 0 EJAAMO c1ccc(CN2CCCC3(CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000004535513 210214517 /nfs/dbraw/zinc/21/45/17/210214517.db2.gz BIEPIHLKBKHTQC-UHFFFAOYSA-N 1 1 334.507 4.565 50 0 EJAAMO c1ccc(CN2CCCC3(CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000004535513 210214521 /nfs/dbraw/zinc/21/45/21/210214521.db2.gz BIEPIHLKBKHTQC-UHFFFAOYSA-N 1 1 334.507 4.565 50 0 EJAAMO Clc1cccc2c1CC[C@H]2[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000062258109 214707800 /nfs/dbraw/zinc/70/78/00/214707800.db2.gz ILHVBHZLUTUPPP-MRXNPFEDSA-N 1 1 341.867 4.636 50 0 EJAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)C1CCCCC1 ZINC000003348169 210014932 /nfs/dbraw/zinc/01/49/32/210014932.db2.gz VIGUFBWERMJIAM-LLVKDONJSA-N 1 1 329.271 4.585 50 0 EJAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000067946915 215255664 /nfs/dbraw/zinc/25/56/64/215255664.db2.gz HUNZIKNYEFDPFT-KRWDZBQOSA-N 1 1 342.446 4.589 50 0 EJAAMO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000040154259 213274735 /nfs/dbraw/zinc/27/47/35/213274735.db2.gz JRRVONSUTADUCQ-HNNXBMFYSA-N 1 1 331.872 4.625 50 0 EJAAMO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000040154259 213274737 /nfs/dbraw/zinc/27/47/37/213274737.db2.gz JRRVONSUTADUCQ-HNNXBMFYSA-N 1 1 331.872 4.625 50 0 EJAAMO Cc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019229264 202001444 /nfs/dbraw/zinc/00/14/44/202001444.db2.gz HOALIXAEBHDZBJ-KRWDZBQOSA-N 1 1 337.492 4.826 50 0 EJAAMO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000036347827 213086642 /nfs/dbraw/zinc/08/66/42/213086642.db2.gz RKTNPYBOVKQLLR-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000036347827 213086644 /nfs/dbraw/zinc/08/66/44/213086644.db2.gz RKTNPYBOVKQLLR-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347245 213086487 /nfs/dbraw/zinc/08/64/87/213086487.db2.gz GYVRUFQUHMBACU-QFIPXVFZSA-N 1 1 334.438 4.931 50 0 EJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)s2)cc1O ZINC000033087153 202249161 /nfs/dbraw/zinc/24/91/61/202249161.db2.gz LORBOIIYIXMRSN-INIZCTEOSA-N 1 1 331.481 4.888 50 0 EJAAMO CC(C)Cn1cncc1C[N@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072153973 216042429 /nfs/dbraw/zinc/04/24/29/216042429.db2.gz GAHAWWPHPAPNQE-LJQANCHMSA-N 1 1 343.490 4.523 50 0 EJAAMO Fc1ccc([C@H]2CCCC[N@@H+]2Cc2cncn2C2CCCC2)cc1 ZINC000072157168 216047048 /nfs/dbraw/zinc/04/70/48/216047048.db2.gz GEBNIFPBKLSZHR-HXUWFJFHSA-N 1 1 327.447 4.865 50 0 EJAAMO Fc1ccc([C@H]2CCCC[N@H+]2Cc2cncn2C2CCCC2)cc1 ZINC000072157168 216047050 /nfs/dbraw/zinc/04/70/50/216047050.db2.gz GEBNIFPBKLSZHR-HXUWFJFHSA-N 1 1 327.447 4.865 50 0 EJAAMO Cc1cc(Nc2ccc3c(c2)OCCO3)c2ccc(Cl)cc2[nH+]1 ZINC000000120848 209434454 /nfs/dbraw/zinc/43/44/54/209434454.db2.gz QXBPLQTYZOEHLF-UHFFFAOYSA-N 1 1 326.783 4.711 50 0 EJAAMO COc1ccc(CC[N@@H+](C)C/C=C(\C)CCC=C(C)C)cc1OC ZINC000023282191 212366301 /nfs/dbraw/zinc/36/63/01/212366301.db2.gz DDHCGUUNSTXNGE-LDADJPATSA-N 1 1 331.500 4.871 50 0 EJAAMO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1ccccc1-c1ccco1 ZINC000215298625 241117964 /nfs/dbraw/zinc/11/79/64/241117964.db2.gz KVYWKXMZZZJVJN-HXUWFJFHSA-N 1 1 349.478 4.896 50 0 EJAAMO CCOc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1c(C)noc1C)CCC2 ZINC000215939363 241157787 /nfs/dbraw/zinc/15/77/87/241157787.db2.gz GKVZWNQEUKMUGC-LJQANCHMSA-N 1 1 340.467 4.516 50 0 EJAAMO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000216205180 241174801 /nfs/dbraw/zinc/17/48/01/241174801.db2.gz VRDVNYDDFBXMFB-SJLPKXTDSA-N 1 1 339.458 4.752 50 0 EJAAMO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1Br ZINC000021720818 212244864 /nfs/dbraw/zinc/24/48/64/212244864.db2.gz OKWPJJALOCRZHF-HNNXBMFYSA-N 1 1 349.272 4.645 50 0 EJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1Br ZINC000021720818 212244865 /nfs/dbraw/zinc/24/48/65/212244865.db2.gz OKWPJJALOCRZHF-HNNXBMFYSA-N 1 1 349.272 4.645 50 0 EJAAMO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cn(CC)c2ccccc12 ZINC000021720759 212244023 /nfs/dbraw/zinc/24/40/23/212244023.db2.gz FTCKXRXMKHWPRN-IBGZPJMESA-N 1 1 337.467 4.857 50 0 EJAAMO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1O ZINC000021046601 212203726 /nfs/dbraw/zinc/20/37/26/212203726.db2.gz KOPGMWJVWGYRNR-JTQLQIEISA-N 1 1 326.223 4.558 50 0 EJAAMO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1O ZINC000021046606 212203523 /nfs/dbraw/zinc/20/35/23/212203523.db2.gz KOPGMWJVWGYRNR-SNVBAGLBSA-N 1 1 326.223 4.558 50 0 EJAAMO Cc1nc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cs1 ZINC000072143435 203169935 /nfs/dbraw/zinc/16/99/35/203169935.db2.gz DWOGNRKSOKSTJP-CQSZACIVSA-N 1 1 336.451 4.575 50 0 EJAAMO Cc1nc(C[N@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cs1 ZINC000072143435 203169940 /nfs/dbraw/zinc/16/99/40/203169940.db2.gz DWOGNRKSOKSTJP-CQSZACIVSA-N 1 1 336.451 4.575 50 0 EJAAMO CC(C)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccn3)cc2)n1 ZINC000077301791 203377825 /nfs/dbraw/zinc/37/78/25/203377825.db2.gz XGTPYVDYXBAAJI-IBGZPJMESA-N 1 1 348.450 4.592 50 0 EJAAMO CC(C)c1noc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccn3)cc2)n1 ZINC000077301791 203377832 /nfs/dbraw/zinc/37/78/32/203377832.db2.gz XGTPYVDYXBAAJI-IBGZPJMESA-N 1 1 348.450 4.592 50 0 EJAAMO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)s1 ZINC000019789069 212066576 /nfs/dbraw/zinc/06/65/76/212066576.db2.gz DWZHFTRFAMOPHE-AWEZNQCLSA-N 1 1 348.899 4.508 50 0 EJAAMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)s1 ZINC000019789069 212066579 /nfs/dbraw/zinc/06/65/79/212066579.db2.gz DWZHFTRFAMOPHE-AWEZNQCLSA-N 1 1 348.899 4.508 50 0 EJAAMO COCCC[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC000077524877 203393679 /nfs/dbraw/zinc/39/36/79/203393679.db2.gz WQSZYPXIIBQCEI-OAHLLOKOSA-N 1 1 333.369 4.626 50 0 EJAAMO c1ccc(OCC[N@@H+](Cc2nc3ccccc3[nH]2)C2CCCCC2)cc1 ZINC000019201953 212004067 /nfs/dbraw/zinc/00/40/67/212004067.db2.gz YMYMZKUTECEJGV-UHFFFAOYSA-N 1 1 349.478 4.777 50 0 EJAAMO O=C(CC[C@H]1CCC[N@H+](C2CCCCCC2)C1)Nc1ccccc1F ZINC000012430678 211378331 /nfs/dbraw/zinc/37/83/31/211378331.db2.gz DAUPPGIDKHZHPJ-QGZVFWFLSA-N 1 1 346.490 4.979 50 0 EJAAMO COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2CC2CC2)c1 ZINC000012049747 211282844 /nfs/dbraw/zinc/28/28/44/211282844.db2.gz SHBUVFBRAIAYEJ-QFIPXVFZSA-N 1 1 332.447 4.534 50 0 EJAAMO COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CC2CC2)c1 ZINC000012049747 211282847 /nfs/dbraw/zinc/28/28/47/211282847.db2.gz SHBUVFBRAIAYEJ-QFIPXVFZSA-N 1 1 332.447 4.534 50 0 EJAAMO C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)Cc2cc(Cl)ccc2O1 ZINC000011913444 211268397 /nfs/dbraw/zinc/26/83/97/211268397.db2.gz QRXYMLDFPYAKAW-AWEZNQCLSA-N 1 1 338.838 4.671 50 0 EJAAMO C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)Cc2cc(Cl)ccc2O1 ZINC000011913444 211268402 /nfs/dbraw/zinc/26/84/02/211268402.db2.gz QRXYMLDFPYAKAW-AWEZNQCLSA-N 1 1 338.838 4.671 50 0 EJAAMO CCc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009836686 211126742 /nfs/dbraw/zinc/12/67/42/211126742.db2.gz LUPPCVGHAFPIAG-CQSZACIVSA-N 1 1 339.414 4.631 50 0 EJAAMO CCc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009836686 211126745 /nfs/dbraw/zinc/12/67/45/211126745.db2.gz LUPPCVGHAFPIAG-CQSZACIVSA-N 1 1 339.414 4.631 50 0 EJAAMO Nc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH+]1 ZINC000095100107 218281695 /nfs/dbraw/zinc/28/16/95/218281695.db2.gz LPZANDXNFFSJNE-UHFFFAOYSA-N 1 1 328.586 4.898 50 0 EJAAMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000004989095 210351243 /nfs/dbraw/zinc/35/12/43/210351243.db2.gz MPWOWXODBGEVGT-QGZVFWFLSA-N 1 1 325.452 4.506 50 0 EJAAMO Cc1cc(Cl)c(OCC[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000004913695 210321376 /nfs/dbraw/zinc/32/13/76/210321376.db2.gz QENZYTWVRBKUJJ-NSHDSACASA-N 1 1 346.696 4.522 50 0 EJAAMO Cc1cc(Cl)c(OCC[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000004913695 210321378 /nfs/dbraw/zinc/32/13/78/210321378.db2.gz QENZYTWVRBKUJJ-NSHDSACASA-N 1 1 346.696 4.522 50 0 EJAAMO C[C@@H]([NH2+][C@H](C)c1cnccn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000119183847 221261860 /nfs/dbraw/zinc/26/18/60/221261860.db2.gz IHOZGPTZRJMATD-HUUCEWRRSA-N 1 1 337.398 4.820 50 0 EJAAMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000241277682 258000795 /nfs/dbraw/zinc/00/07/95/258000795.db2.gz LIFQUFSHGXTAMR-BFVZDQMLSA-N 1 1 338.238 4.589 50 0 EJAAMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000241277682 258000797 /nfs/dbraw/zinc/00/07/97/258000797.db2.gz LIFQUFSHGXTAMR-BFVZDQMLSA-N 1 1 338.238 4.589 50 0 EJAAMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]Cc3ccon3)cc2c1 ZINC000299798763 258102304 /nfs/dbraw/zinc/10/23/04/258102304.db2.gz UCHDIFXTXQZRDK-UHFFFAOYSA-N 1 1 347.393 4.627 50 0 EJAAMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000095973524 564143476 /nfs/dbraw/zinc/14/34/76/564143476.db2.gz WFRJWBAPWJUMKJ-MRVPVSSYSA-N 1 1 332.753 4.814 50 0 EJAAMO CCOc1ccc(Nc2cc(C)[nH+]c(NCc3ccccc3)n2)cc1 ZINC000000316346 563283066 /nfs/dbraw/zinc/28/30/66/563283066.db2.gz OOBJDNQVTAILGT-UHFFFAOYSA-N 1 1 334.423 4.539 50 0 EJAAMO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C)c1OC ZINC000002893931 563462389 /nfs/dbraw/zinc/46/23/89/563462389.db2.gz JKXUDHYACSIVQN-UHFFFAOYSA-N 1 1 327.468 4.815 50 0 EJAAMO CSc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000584904377 563602106 /nfs/dbraw/zinc/60/21/06/563602106.db2.gz TYNSPCQSRXPYIG-SFTDATJTSA-N 1 1 344.568 4.637 50 0 EJAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012466564 563661444 /nfs/dbraw/zinc/66/14/44/563661444.db2.gz JFISWJCPUZZMNN-QGZVFWFLSA-N 1 1 328.456 4.732 50 0 EJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000015866932 563798185 /nfs/dbraw/zinc/79/81/85/563798185.db2.gz NFEPXTYBSCDGCW-OAHLLOKOSA-N 1 1 338.373 4.901 50 0 EJAAMO CCc1ccc(-c2noc(C[NH2+][C@H](c3ccccc3)C(C)C)n2)cc1 ZINC000024982043 563878847 /nfs/dbraw/zinc/87/88/47/563878847.db2.gz YMXYWGQRZNHGDI-FQEVSTJZSA-N 1 1 335.451 4.786 50 0 EJAAMO COc1ccc(C[N@@H+](Cc2cc(-c3ccccc3)no2)C2CC2)cc1 ZINC000029699611 563907823 /nfs/dbraw/zinc/90/78/23/563907823.db2.gz OSKOLZQNXRALDL-UHFFFAOYSA-N 1 1 334.419 4.515 50 0 EJAAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2cccs2)c1OC ZINC000033087259 563915159 /nfs/dbraw/zinc/91/51/59/563915159.db2.gz UNFPSEVGQWBERT-INIZCTEOSA-N 1 1 331.481 4.883 50 0 EJAAMO COc1ccc(C[N@H+](C)Cn2c3ccccc3sc2=S)cc1 ZINC000058445896 563946583 /nfs/dbraw/zinc/94/65/83/563946583.db2.gz XTMXMUAXTOCHSF-UHFFFAOYSA-N 1 1 330.478 4.530 50 0 EJAAMO COc1ccc(C[N@@H+](C)Cn2c3ccccc3sc2=S)cc1 ZINC000058445896 563946584 /nfs/dbraw/zinc/94/65/84/563946584.db2.gz XTMXMUAXTOCHSF-UHFFFAOYSA-N 1 1 330.478 4.530 50 0 EJAAMO COc1ccccc1[C@H](C)[NH2+][C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000096477235 563955027 /nfs/dbraw/zinc/95/50/27/563955027.db2.gz KQRAZMLBPRLNLZ-YCRPNKLZSA-N 1 1 336.410 4.670 50 0 EJAAMO CCn1c[nH+]cc1Cn1cnc(-c2ccccc2)c1-c1ccc(F)cc1 ZINC000065384845 563959187 /nfs/dbraw/zinc/95/91/87/563959187.db2.gz CVALBLLZQGPUME-UHFFFAOYSA-N 1 1 346.409 4.621 50 0 EJAAMO C[C@@H]1C[N@H+](CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000016247821 563976180 /nfs/dbraw/zinc/97/61/80/563976180.db2.gz KJVYOTNIJSFCAY-KDURUIRLSA-N 1 1 339.479 4.622 50 0 EJAAMO COc1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)cc1F ZINC000050510225 563991300 /nfs/dbraw/zinc/99/13/00/563991300.db2.gz BIJMVYFVTJRERD-LLVKDONJSA-N 1 1 348.468 4.870 50 0 EJAAMO Clc1ccc2[nH+]c(-c3cccnc3)c(NC3CCCCC3)n2c1 ZINC000000412455 563998041 /nfs/dbraw/zinc/99/80/41/563998041.db2.gz YCNNEGSWFXUJIB-UHFFFAOYSA-N 1 1 326.831 4.794 50 0 EJAAMO O=C(CC[N@@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1Cl ZINC000048299959 564030832 /nfs/dbraw/zinc/03/08/32/564030832.db2.gz XMRGSJWNIDEYAX-UHFFFAOYSA-N 1 1 346.858 4.706 50 0 EJAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)c(C)c1 ZINC000052803633 564061560 /nfs/dbraw/zinc/06/15/60/564061560.db2.gz BBWLQNXFFZVDJX-MAUKXSAKSA-N 1 1 328.481 4.529 50 0 EJAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)c(C)c1 ZINC000052803633 564061561 /nfs/dbraw/zinc/06/15/61/564061561.db2.gz BBWLQNXFFZVDJX-MAUKXSAKSA-N 1 1 328.481 4.529 50 0 EJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccsc3)co2)cc1 ZINC000046089117 564065292 /nfs/dbraw/zinc/06/52/92/564065292.db2.gz JEWBZYFFYYFPKP-SFHVURJKSA-N 1 1 340.448 4.749 50 0 EJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccsc3)co2)cc1 ZINC000046089117 564065293 /nfs/dbraw/zinc/06/52/93/564065293.db2.gz JEWBZYFFYYFPKP-SFHVURJKSA-N 1 1 340.448 4.749 50 0 EJAAMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000084070288 564066138 /nfs/dbraw/zinc/06/61/38/564066138.db2.gz RPHWWOWWZLDZEY-PXNSSMCTSA-N 1 1 344.458 4.656 50 0 EJAAMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000012767385 564068250 /nfs/dbraw/zinc/06/82/50/564068250.db2.gz YZPQRRYNVAHOEH-ZWKOTPCHSA-N 1 1 346.474 4.538 50 0 EJAAMO Cc1[nH]c2ccccc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1cccs1 ZINC000006063165 564073346 /nfs/dbraw/zinc/07/33/46/564073346.db2.gz FCEQYQWAOQUKPG-FQEVSTJZSA-N 1 1 333.460 4.865 50 0 EJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2)cc1 ZINC000015836949 564076461 /nfs/dbraw/zinc/07/64/61/564076461.db2.gz BQJLGXQFWIWBHI-SFHVURJKSA-N 1 1 346.268 4.795 50 0 EJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2)cc1 ZINC000015836949 564076462 /nfs/dbraw/zinc/07/64/62/564076462.db2.gz BQJLGXQFWIWBHI-SFHVURJKSA-N 1 1 346.268 4.795 50 0 EJAAMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc2c(c1)CCCC2 ZINC000075093153 564079952 /nfs/dbraw/zinc/07/99/52/564079952.db2.gz LDVDTIYGAJOHTI-MRXNPFEDSA-N 1 1 331.463 4.806 50 0 EJAAMO CC[C@H](C)[C@@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000006224725 564083091 /nfs/dbraw/zinc/08/30/91/564083091.db2.gz CMUDICHQEPXIDK-QPUJVOFHSA-N 1 1 346.283 4.715 50 0 EJAAMO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@@H+](C)Cc1ccccc1 ZINC000008700854 564087268 /nfs/dbraw/zinc/08/72/68/564087268.db2.gz OFKVXESFRKEOJJ-UHFFFAOYSA-N 1 1 326.827 4.534 50 0 EJAAMO CCCC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1 ZINC000006661210 564095580 /nfs/dbraw/zinc/09/55/80/564095580.db2.gz JYRWEDYQNNECMV-UHFFFAOYSA-N 1 1 335.451 4.847 50 0 EJAAMO CCCC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1 ZINC000006661210 564095581 /nfs/dbraw/zinc/09/55/81/564095581.db2.gz JYRWEDYQNNECMV-UHFFFAOYSA-N 1 1 335.451 4.847 50 0 EJAAMO CN(C)CCC[NH2+]CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006760475 564097352 /nfs/dbraw/zinc/09/73/52/564097352.db2.gz BFPYTBPJKQOKEE-HXUWFJFHSA-N 1 1 348.893 4.542 50 0 EJAAMO CCc1c(C[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)csc1C ZINC000006797733 564098064 /nfs/dbraw/zinc/09/80/64/564098064.db2.gz MMCWLAUYJWFLFH-MRXNPFEDSA-N 1 1 328.525 4.638 50 0 EJAAMO CCN(CC)c1ccc(C=[NH+]Nc2ccc(C)c(Cl)c2)c(O)c1 ZINC000249833551 564111770 /nfs/dbraw/zinc/11/17/70/564111770.db2.gz PXKVHKUOIIIBQK-UHFFFAOYSA-N 1 1 331.847 4.646 50 0 EJAAMO Cc1cc([C@@H](C)[NH2+]Cc2csc(-c3ccccn3)n2)c(C)s1 ZINC000124999733 564139169 /nfs/dbraw/zinc/13/91/69/564139169.db2.gz HKWDNUZXCFRMJP-GFCCVEGCSA-N 1 1 329.494 4.734 50 0 EJAAMO CCc1cc(C[N@H+](C)Cc2nc3ccccc3s2)c(C)cc1O ZINC000095996987 564144293 /nfs/dbraw/zinc/14/42/93/564144293.db2.gz GHRKDWXEHIAYLA-UHFFFAOYSA-N 1 1 326.465 4.505 50 0 EJAAMO CCc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)c(C)cc1O ZINC000095996987 564144294 /nfs/dbraw/zinc/14/42/94/564144294.db2.gz GHRKDWXEHIAYLA-UHFFFAOYSA-N 1 1 326.465 4.505 50 0 EJAAMO CC[N@H+](Cc1nc2c(nccc2C)[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000096012935 564144732 /nfs/dbraw/zinc/14/47/32/564144732.db2.gz 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Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3ccccc3)c2cc1C ZINC000057481543 564154479 /nfs/dbraw/zinc/15/44/79/564154479.db2.gz QZROIFWKGVEPBX-HXUWFJFHSA-N 1 1 333.431 4.747 50 0 EJAAMO CCOc1ccc2c(c1)sc(=S)n2C[N@H+](C)Cc1ccccc1 ZINC000057497686 564154533 /nfs/dbraw/zinc/15/45/33/564154533.db2.gz UVZZYIVLTGQYHD-UHFFFAOYSA-N 1 1 344.505 4.920 50 0 EJAAMO CCOc1ccc2c(c1)sc(=S)n2C[N@@H+](C)Cc1ccccc1 ZINC000057497686 564154534 /nfs/dbraw/zinc/15/45/34/564154534.db2.gz UVZZYIVLTGQYHD-UHFFFAOYSA-N 1 1 344.505 4.920 50 0 EJAAMO CC[C@@H](C)[N@@H+](C)C1CCN(C(=S)Nc2c(C)cc(C)cc2C)CC1 ZINC000003060253 564154873 /nfs/dbraw/zinc/15/48/73/564154873.db2.gz FKKUKHGYUXYDED-QGZVFWFLSA-N 1 1 347.572 4.503 50 0 EJAAMO Cc1cc2c(ncnc2NCC[C@H]2CCCC[N@H+]2C2CCCC2)s1 ZINC000670460737 564161138 /nfs/dbraw/zinc/16/11/38/564161138.db2.gz KSRGWPQEEFWGJD-MRXNPFEDSA-N 1 1 344.528 4.599 50 0 EJAAMO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000032506969 564161599 /nfs/dbraw/zinc/16/15/99/564161599.db2.gz OONIXWDEYLNLSE-MRXNPFEDSA-N 1 1 334.444 4.656 50 0 EJAAMO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000032506969 564161600 /nfs/dbraw/zinc/16/16/00/564161600.db2.gz OONIXWDEYLNLSE-MRXNPFEDSA-N 1 1 334.444 4.656 50 0 EJAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c(C)c1 ZINC000008127494 564162934 /nfs/dbraw/zinc/16/29/34/564162934.db2.gz REZLGUDSQXSBRO-UHFFFAOYSA-N 1 1 346.474 4.836 50 0 EJAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c(C)c1 ZINC000008127494 564162935 /nfs/dbraw/zinc/16/29/35/564162935.db2.gz REZLGUDSQXSBRO-UHFFFAOYSA-N 1 1 346.474 4.836 50 0 EJAAMO Cc1c(Cl)c(C[N@H+]2CCC[C@H]2c2cccn2C)nc2ccccc12 ZINC000008945589 564168145 /nfs/dbraw/zinc/16/81/45/564168145.db2.gz VYWSSKWDBADZJP-IBGZPJMESA-N 1 1 339.870 4.872 50 0 EJAAMO Cc1c(Cl)c(C[N@@H+]2CCC[C@H]2c2cccn2C)nc2ccccc12 ZINC000008945589 564168146 /nfs/dbraw/zinc/16/81/46/564168146.db2.gz VYWSSKWDBADZJP-IBGZPJMESA-N 1 1 339.870 4.872 50 0 EJAAMO c1ccc(Cc2nnc(C[NH2+][C@@H](c3ccccc3)C3CCCC3)o2)cc1 ZINC000069628765 564171009 /nfs/dbraw/zinc/17/10/09/564171009.db2.gz NFAYKFJUEKNKRB-QFIPXVFZSA-N 1 1 347.462 4.682 50 0 EJAAMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000071808727 564175562 /nfs/dbraw/zinc/17/55/62/564175562.db2.gz WDUDFPWQJNLLKU-ZDUSSCGKSA-N 1 1 345.899 4.668 50 0 EJAAMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000052661803 214139373 /nfs/dbraw/zinc/13/93/73/214139373.db2.gz YCGUEYOFIZCUCV-HNNXBMFYSA-N 1 1 348.475 4.675 50 0 EJAAMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000052661803 214139377 /nfs/dbraw/zinc/13/93/77/214139377.db2.gz YCGUEYOFIZCUCV-HNNXBMFYSA-N 1 1 348.475 4.675 50 0 EJAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)c(C)c1 ZINC000052803632 214147497 /nfs/dbraw/zinc/14/74/97/214147497.db2.gz BBWLQNXFFZVDJX-CRAIPNDOSA-N 1 1 328.481 4.529 50 0 EJAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)c(C)c1 ZINC000052803632 214147498 /nfs/dbraw/zinc/14/74/98/214147498.db2.gz BBWLQNXFFZVDJX-CRAIPNDOSA-N 1 1 328.481 4.529 50 0 EJAAMO O=C(CCCC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000004122133 210126698 /nfs/dbraw/zinc/12/66/98/210126698.db2.gz RBURCGBYRAOMLD-IBGZPJMESA-N 1 1 325.427 4.668 50 0 EJAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000004123462 210126119 /nfs/dbraw/zinc/12/61/19/210126119.db2.gz OJJVDGXAVUMNAV-OAQYLSRUSA-N 1 1 328.419 4.776 50 0 EJAAMO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2csc(C(C)(C)C)n2)cc1 ZINC000067186614 215121820 /nfs/dbraw/zinc/12/18/20/215121820.db2.gz GSXHZQZWSMEOBD-ZDUSSCGKSA-N 1 1 345.512 4.640 50 0 EJAAMO Fc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000036348188 213086590 /nfs/dbraw/zinc/08/65/90/213086590.db2.gz UFMKQNHBQFXFRK-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000036348188 213086589 /nfs/dbraw/zinc/08/65/89/213086589.db2.gz UFMKQNHBQFXFRK-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000032506970 202226957 /nfs/dbraw/zinc/22/69/57/202226957.db2.gz OONIXWDEYLNLSE-INIZCTEOSA-N 1 1 334.444 4.656 50 0 EJAAMO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000032506970 202226960 /nfs/dbraw/zinc/22/69/60/202226960.db2.gz OONIXWDEYLNLSE-INIZCTEOSA-N 1 1 334.444 4.656 50 0 EJAAMO C[N@@H+]1/C(=C/C(=O)Nc2ccccc2)c2ccccc2CC12CCCCC2 ZINC000032609516 202229187 /nfs/dbraw/zinc/22/91/87/202229187.db2.gz WKMJKCOECWPBSA-LTGZKZEYSA-N 1 1 346.474 4.857 50 0 EJAAMO C[N@H+]1/C(=C/C(=O)Nc2ccccc2)c2ccccc2CC12CCCCC2 ZINC000032609516 202229188 /nfs/dbraw/zinc/22/91/88/202229188.db2.gz WKMJKCOECWPBSA-LTGZKZEYSA-N 1 1 346.474 4.857 50 0 EJAAMO c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3cccnc3)cc2)nc1 ZINC000072120736 216014320 /nfs/dbraw/zinc/01/43/20/216014320.db2.gz CIJYUNDZWYMQKY-QFIPXVFZSA-N 1 1 329.447 4.871 50 0 EJAAMO Fc1ccc([C@@H]2CCCC[N@@H+]2Cc2cncn2C2CCCC2)cc1 ZINC000072157167 216047405 /nfs/dbraw/zinc/04/74/05/216047405.db2.gz GEBNIFPBKLSZHR-FQEVSTJZSA-N 1 1 327.447 4.865 50 0 EJAAMO Fc1ccc([C@@H]2CCCC[N@H+]2Cc2cncn2C2CCCC2)cc1 ZINC000072157167 216047407 /nfs/dbraw/zinc/04/74/07/216047407.db2.gz GEBNIFPBKLSZHR-FQEVSTJZSA-N 1 1 327.447 4.865 50 0 EJAAMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229789382 201043694 /nfs/dbraw/zinc/04/36/94/201043694.db2.gz RPHWWOWWZLDZEY-YLJYHZDGSA-N 1 1 344.458 4.656 50 0 EJAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2NC2CC2)n1-c1ccccc1 ZINC000021797899 212250672 /nfs/dbraw/zinc/25/06/72/212250672.db2.gz ZBHIWMDLSVYWFW-UHFFFAOYSA-N 1 1 326.403 4.662 50 0 EJAAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)no1 ZINC000021720356 212244654 /nfs/dbraw/zinc/24/46/54/212244654.db2.gz MMERRCBWPLEUPN-FQEVSTJZSA-N 1 1 328.456 4.751 50 0 EJAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)no1 ZINC000021720356 212244656 /nfs/dbraw/zinc/24/46/56/212244656.db2.gz MMERRCBWPLEUPN-FQEVSTJZSA-N 1 1 328.456 4.751 50 0 EJAAMO Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000021581243 212233069 /nfs/dbraw/zinc/23/30/69/212233069.db2.gz QFPIZJRRLISJPZ-CQSZACIVSA-N 1 1 345.855 4.789 50 0 EJAAMO Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000021581243 212233071 /nfs/dbraw/zinc/23/30/71/212233071.db2.gz QFPIZJRRLISJPZ-CQSZACIVSA-N 1 1 345.855 4.789 50 0 EJAAMO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nnc(C)s1 ZINC000242273596 243015496 /nfs/dbraw/zinc/01/54/96/243015496.db2.gz YEGCRZSMWKBBTC-CJNGLKHVSA-N 1 1 343.521 4.851 50 0 EJAAMO CNc1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cs1 ZINC000244828609 243088080 /nfs/dbraw/zinc/08/80/80/243088080.db2.gz TZHOUAQUMRFWPZ-ACHSLPGTSA-N 1 1 345.487 4.543 50 0 EJAAMO Cc1cccc(N2CC[N@H+](Cc3csc4c3CCCC4)C[C@H]2C)c1 ZINC000020514301 212142336 /nfs/dbraw/zinc/14/23/36/212142336.db2.gz QMBQRZDGSHQVMY-QGZVFWFLSA-N 1 1 340.536 4.646 50 0 EJAAMO c1ccc(C[C@@H](c2ccccc2)[NH+]2CCN(C3CCCCC3)CC2)cc1 ZINC000019364675 212021128 /nfs/dbraw/zinc/02/11/28/212021128.db2.gz IGBRRSIHEGCUEN-DEOSSOPVSA-N 1 1 348.534 4.921 50 0 in-vitro EJAAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000019220784 212005688 /nfs/dbraw/zinc/00/56/88/212005688.db2.gz MJCOHUNHULTAFH-FQEVSTJZSA-N 1 1 331.463 4.765 50 0 EJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000012385259 211363551 /nfs/dbraw/zinc/36/35/51/211363551.db2.gz MKALWLAOBJAOEA-UHFFFAOYSA-N 1 1 330.859 4.924 50 0 EJAAMO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000012076219 211286434 /nfs/dbraw/zinc/28/64/34/211286434.db2.gz MMWDSHLFUDFQGF-HSZRJFAPSA-N 1 1 349.474 4.640 50 0 EJAAMO c1ccc(C[N@H+](Cc2nc(-c3ccccc3)no2)CC2CCC2)cc1 ZINC000012075737 211286172 /nfs/dbraw/zinc/28/61/72/211286172.db2.gz KCOBUYXIHMDYRF-UHFFFAOYSA-N 1 1 333.435 4.539 50 0 EJAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000011814129 211249632 /nfs/dbraw/zinc/24/96/32/211249632.db2.gz LJUSLOSRJYQGGC-CQSZACIVSA-N 1 1 325.374 4.543 50 0 EJAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000011773592 211246764 /nfs/dbraw/zinc/24/67/64/211246764.db2.gz KNOXYFUYBAWCLE-GJZGRUSLSA-N 1 1 346.421 4.940 50 0 EJAAMO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCCc2ccccc21 ZINC000011285345 211210361 /nfs/dbraw/zinc/21/03/61/211210361.db2.gz LXXOHSBPSNWPEM-LJQANCHMSA-N 1 1 336.410 4.990 50 0 EJAAMO CC(C)C[C@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000005086186 210386520 /nfs/dbraw/zinc/38/65/20/210386520.db2.gz JOWMRZNLWNXGJK-LBPRGKRZSA-N 1 1 346.283 4.715 50 0 EJAAMO C[C@@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2Br)C1 ZINC000004914374 210322167 /nfs/dbraw/zinc/32/21/67/210322167.db2.gz AIMUFYVOHLVFCJ-CQSZACIVSA-N 1 1 348.284 4.713 50 0 EJAAMO Clc1ccccc1N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000055543002 132195868 /nfs/dbraw/zinc/19/58/68/132195868.db2.gz FHBORUHRRDEULO-UHFFFAOYSA-N 1 1 336.866 4.815 50 0 EJAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)c1cccc(Cl)c1Cl ZINC000002515415 563436600 /nfs/dbraw/zinc/43/66/00/563436600.db2.gz NMVVPXWVALWAPB-UHFFFAOYSA-N 1 1 332.230 4.596 50 0 EJAAMO O=C(c1ccc(Cl)cc1Cl)c1ccccc1C[NH+]1CC=CC1 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C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1c(F)cccc1F ZINC000095964884 564142903 /nfs/dbraw/zinc/14/29/03/564142903.db2.gz JCDNLUAWUKKVEU-LSDHHAIUSA-N 1 1 330.422 4.977 50 0 EJAAMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)Cc1cccc2ccccc21 ZINC000096027612 564144996 /nfs/dbraw/zinc/14/49/96/564144996.db2.gz ZALLAOGWOZOXPR-QFIPXVFZSA-N 1 1 333.475 4.654 50 0 EJAAMO CCc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000057531669 564154827 /nfs/dbraw/zinc/15/48/27/564154827.db2.gz LEQNXKZEOMOQKJ-HXUWFJFHSA-N 1 1 333.431 4.693 50 0 EJAAMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000003282717 564156948 /nfs/dbraw/zinc/15/69/48/564156948.db2.gz PGBOSHGQRMJEAQ-JOCHJYFZSA-N 1 1 329.443 4.709 50 0 EJAAMO C[N@@H+]([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CCCCC1 ZINC000058165801 564157904 /nfs/dbraw/zinc/15/79/04/564157904.db2.gz XKUDNSUBTMRNDU-FQEVSTJZSA-N 1 1 340.442 4.770 50 0 EJAAMO COc1ccccc1C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000539818840 564177652 /nfs/dbraw/zinc/17/76/52/564177652.db2.gz 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GYVRUFQUHMBACU-JOCHJYFZSA-N 1 1 334.438 4.931 50 0 EJAAMO Cc1cnc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3CC(C)C)s2)s1 ZINC000023379608 212373131 /nfs/dbraw/zinc/37/31/31/212373131.db2.gz TYAFQDLNKKJACB-ZDUSSCGKSA-N 1 1 349.525 4.558 50 0 EJAAMO Clc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000022852722 212328676 /nfs/dbraw/zinc/32/86/76/212328676.db2.gz LJCOSZWKFZCOAV-OAHLLOKOSA-N 1 1 325.843 4.596 50 0 EJAAMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1 ZINC000022199641 212282149 /nfs/dbraw/zinc/28/21/49/212282149.db2.gz ZBMRNWBYZIDQCY-UHFFFAOYSA-N 1 1 343.279 4.516 50 0 EJAAMO c1nc(N2CCCC2)sc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000215410861 241125261 /nfs/dbraw/zinc/12/52/61/241125261.db2.gz MOZVVQIKFOCBHN-GOSISDBHSA-N 1 1 341.524 4.513 50 0 EJAAMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000021791652 212250031 /nfs/dbraw/zinc/25/00/31/212250031.db2.gz DLKZMTFJPGPGSG-LJQANCHMSA-N 1 1 339.389 4.692 50 0 EJAAMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1C[C@@H]2CCC[C@H]21 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342.389 4.950 50 0 EJAAMO CC[N@@H+](Cc1nc(-c2cccc(F)c2F)oc1C)Cc1ccccc1 ZINC000012302864 211339412 /nfs/dbraw/zinc/33/94/12/211339412.db2.gz RKHWZHDQLRIVSW-UHFFFAOYSA-N 1 1 342.389 4.950 50 0 EJAAMO CC(C)=CC[N@H+]1CCC[C@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000011912260 211267921 /nfs/dbraw/zinc/26/79/21/211267921.db2.gz KUTXTNKUJILMOZ-AWEZNQCLSA-N 1 1 331.410 4.501 50 0 EJAAMO CC(C)=CC[C@@]1(CO)CCC[N@@H+](Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC000091534936 218017971 /nfs/dbraw/zinc/01/79/71/218017971.db2.gz VFIVNUFVUBOTNW-NRFANRHFSA-N 1 1 344.474 4.546 50 0 EJAAMO Cc1ccc2c(C[N@H+](Cc3ccccc3)C(C)C)cc(=O)oc2c1C ZINC000010929947 211195940 /nfs/dbraw/zinc/19/59/40/211195940.db2.gz RGBABLLOHILJKJ-UHFFFAOYSA-N 1 1 335.447 4.820 50 0 EJAAMO CCc1cccc2c(=O)c(C[N@@H+](CC)Cc3ccccc3)c(C)[nH]c12 ZINC000008926973 211019883 /nfs/dbraw/zinc/01/98/83/211019883.db2.gz NYCGFWPKWIWKNK-UHFFFAOYSA-N 1 1 334.463 4.833 50 0 EJAAMO CCc1ncc(C[NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)s1 ZINC000095409413 218345274 /nfs/dbraw/zinc/34/52/74/218345274.db2.gz MCUZICQBRVGUBL-FQEVSTJZSA-N 1 1 337.492 4.597 50 0 EJAAMO Brc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000004982739 210347904 /nfs/dbraw/zinc/34/79/04/210347904.db2.gz GIAKXJVBIUBBGV-KRWDZBQOSA-N 1 1 331.257 4.571 50 0 EJAAMO Brc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000004982739 210347906 /nfs/dbraw/zinc/34/79/06/210347906.db2.gz GIAKXJVBIUBBGV-KRWDZBQOSA-N 1 1 331.257 4.571 50 0 EJAAMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000004982694 210347622 /nfs/dbraw/zinc/34/76/22/210347622.db2.gz NAHNPQKHHDCWMN-NRFANRHFSA-N 1 1 332.447 4.971 50 0 EJAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000169643388 526098067 /nfs/dbraw/zinc/09/80/67/526098067.db2.gz SGRXPZXZFVLCLR-XXBNENTESA-N 1 1 343.470 4.758 50 0 EJAAMO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000034878955 563362385 /nfs/dbraw/zinc/36/23/85/563362385.db2.gz OKINKJRZLKXZEO-QGZVFWFLSA-N 1 1 334.463 4.748 50 0 EJAAMO Cc1cc(Cl)c(OCC[NH+]2CCC(C)CC2)c(Br)c1 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CCn1c2ccc(F)cc2nc1C[N@H+](Cc1ccc(C)cc1)C1CC1 ZINC000058296550 563942006 /nfs/dbraw/zinc/94/20/06/563942006.db2.gz ROQAKSSTKXOXIE-UHFFFAOYSA-N 1 1 337.442 4.668 50 0 EJAAMO CCn1c2ccc(F)cc2nc1C[N@@H+](Cc1ccc(C)cc1)C1CC1 ZINC000058296550 563942007 /nfs/dbraw/zinc/94/20/07/563942007.db2.gz ROQAKSSTKXOXIE-UHFFFAOYSA-N 1 1 337.442 4.668 50 0 EJAAMO c1ccn(C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)c1 ZINC000058526217 563946715 /nfs/dbraw/zinc/94/67/15/563946715.db2.gz YCJJUNIYFYGIFD-UHFFFAOYSA-N 1 1 338.480 4.525 50 0 EJAAMO CCCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(CC)no2)cc1 ZINC000064984394 563957443 /nfs/dbraw/zinc/95/74/43/563957443.db2.gz GKDRWZLUJJFZSU-LJQANCHMSA-N 1 1 328.456 4.753 50 0 EJAAMO Cc1c[nH+]c(C)n1-c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000097105690 563967652 /nfs/dbraw/zinc/96/76/52/563967652.db2.gz RXEBLUXWEHJRSD-UHFFFAOYSA-N 1 1 334.810 4.753 50 0 EJAAMO COc1ccc(-c2[nH+]c3ccccn3c2NCc2ccccc2)cc1 ZINC000000319569 563991119 /nfs/dbraw/zinc/99/11/19/563991119.db2.gz NFTFXWRJSDIZEK-UHFFFAOYSA-N 1 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50 0 EJAAMO Cc1csc(C2([NH2+]Cc3cnc(C4CCC4)s3)CCCC2)n1 ZINC000089705461 564113310 /nfs/dbraw/zinc/11/33/10/564113310.db2.gz DOZPGBPDXPXDQW-UHFFFAOYSA-N 1 1 333.526 4.735 50 0 EJAAMO CSc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007918596 564125160 /nfs/dbraw/zinc/12/51/60/564125160.db2.gz YLMHSGRFASYVHD-GFCCVEGCSA-N 1 1 345.493 4.713 50 0 EJAAMO CSc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007918596 564125161 /nfs/dbraw/zinc/12/51/61/564125161.db2.gz YLMHSGRFASYVHD-GFCCVEGCSA-N 1 1 345.493 4.713 50 0 EJAAMO Cc1ccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000143558863 564129565 /nfs/dbraw/zinc/12/95/65/564129565.db2.gz AEPAOVCXVUYHOS-UHFFFAOYSA-N 1 1 329.443 4.848 50 0 EJAAMO FC(F)(F)c1cccc(C[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000064794189 564134069 /nfs/dbraw/zinc/13/40/69/564134069.db2.gz XCDCEYRVEXJLEP-UHFFFAOYSA-N 1 1 335.369 4.749 50 0 EJAAMO CC(=O)Nc1ccccc1C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000093821647 564137997 /nfs/dbraw/zinc/13/79/97/564137997.db2.gz POSHHECVKPFIQJ-CQSZACIVSA-N 1 1 345.512 4.726 50 0 EJAAMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000095968000 564143146 /nfs/dbraw/zinc/14/31/46/564143146.db2.gz WIZGCFOFHBHWJT-IUCAKERBSA-N 1 1 341.224 4.605 50 0 EJAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000028579857 564151681 /nfs/dbraw/zinc/15/16/81/564151681.db2.gz WESHKNPCBZBSRS-UHFFFAOYSA-N 1 1 342.402 4.978 50 0 EJAAMO Cc1ccc2c(C[N@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc2c1C ZINC000057463288 564154383 /nfs/dbraw/zinc/15/43/83/564154383.db2.gz BBSGRBSENAGVLN-FQEVSTJZSA-N 1 1 333.431 4.747 50 0 EJAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000008092519 564162646 /nfs/dbraw/zinc/16/26/46/564162646.db2.gz AXBTTWWPDPIPLI-UHFFFAOYSA-N 1 1 338.495 4.671 50 0 EJAAMO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000008092519 564162647 /nfs/dbraw/zinc/16/26/47/564162647.db2.gz AXBTTWWPDPIPLI-UHFFFAOYSA-N 1 1 338.495 4.671 50 0 EJAAMO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000008320493 564164302 /nfs/dbraw/zinc/16/43/02/564164302.db2.gz AGKLKHFSLZBCFF-KRWDZBQOSA-N 1 1 328.481 4.647 50 0 EJAAMO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000008320493 564164303 /nfs/dbraw/zinc/16/43/03/564164303.db2.gz AGKLKHFSLZBCFF-KRWDZBQOSA-N 1 1 328.481 4.647 50 0 EJAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717981 564166886 /nfs/dbraw/zinc/16/68/86/564166886.db2.gz KVMTXMJKDBSRLD-UHFFFAOYSA-N 1 1 336.863 4.533 50 0 EJAAMO Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000097698903 219049590 /nfs/dbraw/zinc/04/95/90/219049590.db2.gz OQAHQMZNJIGUGC-QGZVFWFLSA-N 1 1 338.348 4.967 50 0 EJAAMO Fc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@@H]1c1ccccn1 ZINC000097698903 219049592 /nfs/dbraw/zinc/04/95/92/219049592.db2.gz OQAHQMZNJIGUGC-QGZVFWFLSA-N 1 1 338.348 4.967 50 0 EJAAMO CC1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000003583291 210058434 /nfs/dbraw/zinc/05/84/34/210058434.db2.gz LYPDZWFWTRSAIS-UHFFFAOYSA-N 1 1 340.492 4.508 50 0 EJAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)C3CCCCC3)c2cc1C(C)C ZINC000003348241 210014620 /nfs/dbraw/zinc/01/46/20/210014620.db2.gz IZGGGCZXPUGMHH-UHFFFAOYSA-N 1 1 327.468 4.989 50 0 EJAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](C)Cc1ccccc1 ZINC000019595274 202015154 /nfs/dbraw/zinc/01/51/54/202015154.db2.gz ASLXDGZDMDLQGE-UHFFFAOYSA-N 1 1 328.362 4.560 50 0 EJAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+](C)Cc1ccccc1 ZINC000019595274 202015155 /nfs/dbraw/zinc/01/51/55/202015155.db2.gz ASLXDGZDMDLQGE-UHFFFAOYSA-N 1 1 328.362 4.560 50 0 EJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000039400594 213236005 /nfs/dbraw/zinc/23/60/05/213236005.db2.gz ZSGQDDJDISZTLL-HXUWFJFHSA-N 1 1 331.463 4.765 50 0 EJAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000039400594 213236010 /nfs/dbraw/zinc/23/60/10/213236010.db2.gz ZSGQDDJDISZTLL-HXUWFJFHSA-N 1 1 331.463 4.765 50 0 EJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000039400594 213236015 /nfs/dbraw/zinc/23/60/15/213236015.db2.gz ZSGQDDJDISZTLL-HXUWFJFHSA-N 1 1 331.463 4.765 50 0 EJAAMO c1ccc(-c2ccccc2OCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000020324348 202038271 /nfs/dbraw/zinc/03/82/71/202038271.db2.gz NFROREFQWKJXAY-UHFFFAOYSA-N 1 1 329.443 4.791 50 0 EJAAMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCCc2ccccc21 ZINC000026927722 202150508 /nfs/dbraw/zinc/15/05/08/202150508.db2.gz KXCSIKKGHVBVSG-IBGZPJMESA-N 1 1 342.870 4.678 50 0 EJAAMO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000036832565 213121140 /nfs/dbraw/zinc/12/11/40/213121140.db2.gz VDNKSSIMYLDZQL-CYBMUJFWSA-N 1 1 348.899 4.521 50 0 EJAAMO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000036832565 213121142 /nfs/dbraw/zinc/12/11/42/213121142.db2.gz VDNKSSIMYLDZQL-CYBMUJFWSA-N 1 1 348.899 4.521 50 0 EJAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)c1 ZINC000036348381 213086581 /nfs/dbraw/zinc/08/65/81/213086581.db2.gz SYIBOSCFYZETPX-JOCHJYFZSA-N 1 1 334.438 4.931 50 0 EJAAMO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347828 213086302 /nfs/dbraw/zinc/08/63/02/213086302.db2.gz RKTNPYBOVKQLLR-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347828 213086304 /nfs/dbraw/zinc/08/63/04/213086304.db2.gz RKTNPYBOVKQLLR-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO COc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1cccc(C)c1 ZINC000036347723 213086062 /nfs/dbraw/zinc/08/60/62/213086062.db2.gz XAYDFAQQSYEISD-HSZRJFAPSA-N 1 1 346.474 4.800 50 0 EJAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(C)cc1 ZINC000036347249 213085466 /nfs/dbraw/zinc/08/54/66/213085466.db2.gz HJYSYLDJMUEIGQ-QHCPKHFHSA-N 1 1 346.474 4.800 50 0 EJAAMO Cc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1cccc(F)c1 ZINC000036348308 213085373 /nfs/dbraw/zinc/08/53/73/213085373.db2.gz FFAXIXFRRMLXMB-QFIPXVFZSA-N 1 1 334.438 4.931 50 0 EJAAMO Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036104423 213068426 /nfs/dbraw/zinc/06/84/26/213068426.db2.gz PBTGGUPHSKWXQE-XMMPIXPASA-N 1 1 345.486 4.601 50 0 EJAAMO O=c1c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)coc2ccc(Cl)cc21 ZINC000023282211 212365796 /nfs/dbraw/zinc/36/57/96/212365796.db2.gz UGFOCSQYKWFHRV-DYVFJYSZSA-N 1 1 331.843 4.601 50 0 EJAAMO C[C@H](CCN1CC[N@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1)c1ccccc1 ZINC000022587904 212308627 /nfs/dbraw/zinc/30/86/27/212308627.db2.gz GPUZEMUACDCDIM-PTUXOGIPSA-N 1 1 340.555 4.909 50 0 EJAAMO C[C@H](CC[N@H+]1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1)c1ccccc1 ZINC000022587904 212308622 /nfs/dbraw/zinc/30/86/22/212308622.db2.gz GPUZEMUACDCDIM-PTUXOGIPSA-N 1 1 340.555 4.909 50 0 EJAAMO C[C@H](CCN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1)c1ccccc1 ZINC000022587904 212308625 /nfs/dbraw/zinc/30/86/25/212308625.db2.gz GPUZEMUACDCDIM-PTUXOGIPSA-N 1 1 340.555 4.909 50 0 EJAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CC2)c1 ZINC000021798247 212251261 /nfs/dbraw/zinc/25/12/61/212251261.db2.gz TXNDKVQHRVQUMP-UHFFFAOYSA-N 1 1 340.430 4.970 50 0 EJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3C)c(C)o2)c(C)c1C ZINC000020997581 212196684 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Cc1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)s1 ZINC000019789067 212066532 /nfs/dbraw/zinc/06/65/32/212066532.db2.gz DWZHFTRFAMOPHE-CQSZACIVSA-N 1 1 348.899 4.508 50 0 EJAAMO CSC1=[NH+]C(C)(C)C=C(C=Cc2c(Cl)cccc2Cl)N1 ZINC000013125367 211525810 /nfs/dbraw/zinc/52/58/10/211525810.db2.gz FGDDFWOYMWOYQE-BQYQJAHWSA-N 1 1 327.280 4.991 50 0 EJAAMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccoc2)oc1C ZINC000012385986 211365559 /nfs/dbraw/zinc/36/55/59/211365559.db2.gz RUKWJBOGWZUHSC-SFHVURJKSA-N 1 1 338.407 4.589 50 0 EJAAMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)oc1C ZINC000012385986 211365561 /nfs/dbraw/zinc/36/55/61/211365561.db2.gz RUKWJBOGWZUHSC-SFHVURJKSA-N 1 1 338.407 4.589 50 0 EJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012307992 211341284 /nfs/dbraw/zinc/34/12/84/211341284.db2.gz ZERXAFGEKLQTFD-QFIPXVFZSA-N 1 1 336.479 4.583 50 0 EJAAMO OC[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000012076222 211287081 /nfs/dbraw/zinc/28/70/81/211287081.db2.gz 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Clc1ccccc1COc1ccccc1C[NH2+]Cc1ccccn1 ZINC000006702415 563580543 /nfs/dbraw/zinc/58/05/43/563580543.db2.gz JLEIELXZFJTJTN-UHFFFAOYSA-N 1 1 338.838 4.604 50 0 EJAAMO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccco2)cc1 ZINC000007523700 563604226 /nfs/dbraw/zinc/60/42/26/563604226.db2.gz QMKGFNBTXGZZCU-UHFFFAOYSA-N 1 1 345.801 4.941 50 0 EJAAMO Cc1cccc2c(=O)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)[nH]c12 ZINC000008691845 563635673 /nfs/dbraw/zinc/63/56/73/563635673.db2.gz KLCRMNQOYHEXNH-AOMKIAJQSA-N 1 1 338.495 4.958 50 0 EJAAMO OC[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000011720124 563650752 /nfs/dbraw/zinc/65/07/52/563650752.db2.gz XZEUQGPHDOVSQY-IBGZPJMESA-N 1 1 349.927 4.609 50 0 EJAAMO COc1cccc(C[N@H+](C)Cc2nc(-c3cccc(C)c3)oc2C)c1 ZINC000011842487 563651429 /nfs/dbraw/zinc/65/14/29/563651429.db2.gz IAFXGKSFDHGODW-UHFFFAOYSA-N 1 1 336.435 4.599 50 0 EJAAMO COc1cccc(C[N@@H+](C)Cc2nc(-c3cccc(C)c3)oc2C)c1 ZINC000011842487 563651436 /nfs/dbraw/zinc/65/14/36/563651436.db2.gz 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COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)cc1O ZINC000033087154 563914983 /nfs/dbraw/zinc/91/49/83/563914983.db2.gz KMNHWPXZZJNRGM-GOSISDBHSA-N 1 1 329.415 4.657 50 0 EJAAMO CN1CCC([N@@H+](C)Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000000241864 563917135 /nfs/dbraw/zinc/91/71/35/563917135.db2.gz OCDFCVHQVNEMMP-UHFFFAOYSA-N 1 1 344.886 4.658 50 0 EJAAMO CN(Cc1cccc(Oc2ccc(Cl)cc2)c1)C1CC[NH+](C)CC1 ZINC000000241864 563917136 /nfs/dbraw/zinc/91/71/36/563917136.db2.gz OCDFCVHQVNEMMP-UHFFFAOYSA-N 1 1 344.886 4.658 50 0 EJAAMO CCC[N@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)CC1CC1 ZINC000023281797 563918144 /nfs/dbraw/zinc/91/81/44/563918144.db2.gz WMZHCLXNIFUXPW-UHFFFAOYSA-N 1 1 339.479 4.896 50 0 EJAAMO O=c1c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)coc2ccc(Cl)cc21 ZINC000230136201 563919703 /nfs/dbraw/zinc/91/97/03/563919703.db2.gz UGFOCSQYKWFHRV-CXAGYDPISA-N 1 1 331.843 4.601 50 0 EJAAMO Clc1cccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000253489408 563919853 /nfs/dbraw/zinc/91/98/53/563919853.db2.gz 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/nfs/dbraw/zinc/97/72/94/563977294.db2.gz QMVGTQHMDIBMNJ-UHFFFAOYSA-N 1 1 346.474 4.874 50 0 EJAAMO CC(C)c1cccc(C(C)C)c1OCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014083927 563983160 /nfs/dbraw/zinc/98/31/60/563983160.db2.gz BQORZYXEEBAHHD-HDICACEKSA-N 1 1 333.516 4.812 50 0 EJAAMO C[NH+]1CCN(c2nc(-c3ccc(C4CCCCC4)cc3)cs2)CC1 ZINC000003449209 564004567 /nfs/dbraw/zinc/00/45/67/564004567.db2.gz WMAKOJDYSMMSOJ-UHFFFAOYSA-N 1 1 341.524 4.610 50 0 EJAAMO C[N@H+]1C[C@@H](C(=O)c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005525663 564004959 /nfs/dbraw/zinc/00/49/59/564004959.db2.gz TZYCOGSJLNLMCK-HZPDHXFCSA-N 1 1 334.246 4.522 50 0 EJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2Sc1ccc(Cl)cc1 ZINC000005525564 564004993 /nfs/dbraw/zinc/00/49/93/564004993.db2.gz MXEIBCYOSABGBK-MJGOQNOKSA-N 1 1 344.911 4.963 50 0 EJAAMO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccccc3F)c2)cc1 ZINC000017311578 564011639 /nfs/dbraw/zinc/01/16/39/564011639.db2.gz ZVHHRTDYPCKCIW-UHFFFAOYSA-N 1 1 348.421 4.676 50 0 EJAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3Cc3ccccc3)co2)cc1 ZINC000048339854 564031217 /nfs/dbraw/zinc/03/12/17/564031217.db2.gz CALUVDRRVGCHQW-NRFANRHFSA-N 1 1 332.447 4.857 50 0 EJAAMO CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)nc2cc(Cl)ccc21 ZINC000005791269 564052200 /nfs/dbraw/zinc/05/22/00/564052200.db2.gz GYFRJEFMZQFVLO-CQSZACIVSA-N 1 1 333.907 4.541 50 0 EJAAMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc2ccccc2c1 ZINC000025679476 564062744 /nfs/dbraw/zinc/06/27/44/564062744.db2.gz HWQZPKBORXEFEY-UHFFFAOYSA-N 1 1 327.431 4.658 50 0 EJAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccncc1 ZINC000001281090 564062928 /nfs/dbraw/zinc/06/29/28/564062928.db2.gz LSUCIMJIEGWCQS-OAQYLSRUSA-N 1 1 328.419 4.776 50 0 EJAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000015837427 564076524 /nfs/dbraw/zinc/07/65/24/564076524.db2.gz UXUURPNKPKQVAL-LJQANCHMSA-N 1 1 343.442 4.960 50 0 EJAAMO Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2)cc1 ZINC000015837424 564076527 /nfs/dbraw/zinc/07/65/27/564076527.db2.gz 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CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000003350227 564157543 /nfs/dbraw/zinc/15/75/43/564157543.db2.gz OHCCMVJVEZHNJA-CVEARBPZSA-N 1 1 342.458 4.798 50 0 EJAAMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000003491703 564158432 /nfs/dbraw/zinc/15/84/32/564158432.db2.gz FEQFRLZEPJCXTE-AEFFLSMTSA-N 1 1 338.495 4.968 50 0 EJAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000004148690 564160928 /nfs/dbraw/zinc/16/09/28/564160928.db2.gz YSMGXGMEJVBETQ-OAQYLSRUSA-N 1 1 328.419 4.776 50 0 EJAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+]1CCCC[C@H]1C ZINC000008717497 564166808 /nfs/dbraw/zinc/16/68/08/564166808.db2.gz IUGCVVCGSXFFNP-OAHLLOKOSA-N 1 1 342.483 4.658 50 0 EJAAMO CC(C)C[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccccn1 ZINC000055133902 214278160 /nfs/dbraw/zinc/27/81/60/214278160.db2.gz RJHSFFBHPAKFQP-IBGZPJMESA-N 1 1 328.456 4.574 50 0 EJAAMO Cc1noc(C)c1C[NH+](CCCC1CCCC1)Cc1c(C)noc1C ZINC000065565899 214963363 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216252939 /nfs/dbraw/zinc/25/29/39/216252939.db2.gz DREYYFZUARSOCZ-UHFFFAOYSA-N 1 1 349.459 4.892 50 0 EJAAMO OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000023549910 212383048 /nfs/dbraw/zinc/38/30/48/212383048.db2.gz AZOXPIPWRDWNBA-QHCPKHFHSA-N 1 1 343.470 4.587 50 0 EJAAMO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000023478139 212378576 /nfs/dbraw/zinc/37/85/76/212378576.db2.gz PDRVYFIDBHSGLM-KRWDZBQOSA-N 1 1 345.552 4.774 50 0 EJAAMO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000023231372 212361863 /nfs/dbraw/zinc/36/18/63/212361863.db2.gz RWMZTJPKYORNEA-INIZCTEOSA-N 1 1 331.891 4.641 50 0 EJAAMO COc1cccc(C[NH2+]C(c2ccccc2)c2ccccc2)c1OC ZINC000022772454 212323124 /nfs/dbraw/zinc/32/31/24/212323124.db2.gz NEYHXZNWMGHYQN-UHFFFAOYSA-N 1 1 333.431 4.583 50 0 EJAAMO COc1ccc(-c2cc(C[N@H+](C)Cc3ccc(Cl)s3)on2)cc1 ZINC000022134594 212279609 /nfs/dbraw/zinc/27/96/09/212279609.db2.gz HSVOSVMHWROWIO-UHFFFAOYSA-N 1 1 348.855 4.697 50 0 EJAAMO COc1ccc(-c2cc(C[N@@H+](C)Cc3ccc(Cl)s3)on2)cc1 ZINC000022134594 212279613 /nfs/dbraw/zinc/27/96/13/212279613.db2.gz HSVOSVMHWROWIO-UHFFFAOYSA-N 1 1 348.855 4.697 50 0 EJAAMO c1ccc([C@@H]2CCCC[N@H+]2Cc2cnc(C3CCCCC3)nc2)nc1 ZINC000216458426 241196074 /nfs/dbraw/zinc/19/60/74/241196074.db2.gz IQDZEXSOQQWCMF-FQEVSTJZSA-N 1 1 336.483 4.647 50 0 EJAAMO c1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc(C3CCCCC3)nc2)nc1 ZINC000216458426 241196080 /nfs/dbraw/zinc/19/60/80/241196080.db2.gz IQDZEXSOQQWCMF-FQEVSTJZSA-N 1 1 336.483 4.647 50 0 EJAAMO CC(C)c1nc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cs1 ZINC000060856938 202784450 /nfs/dbraw/zinc/78/44/50/202784450.db2.gz ZKHNWDNNTDDCMM-UHFFFAOYSA-N 1 1 344.524 4.817 50 0 EJAAMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000021791655 212250792 /nfs/dbraw/zinc/25/07/92/212250792.db2.gz DLKZMTFJPGPGSG-IBGZPJMESA-N 1 1 339.389 4.692 50 0 EJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000021720884 212243882 /nfs/dbraw/zinc/24/38/82/212243882.db2.gz 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ZINC000095409414 218345189 /nfs/dbraw/zinc/34/51/89/218345189.db2.gz MCUZICQBRVGUBL-HXUWFJFHSA-N 1 1 337.492 4.597 50 0 EJAAMO COc1ccc(C(C)=O)cc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000008319894 210933890 /nfs/dbraw/zinc/93/38/90/210933890.db2.gz OPENXDHMQNZLHF-UHFFFAOYSA-N 1 1 345.442 4.777 50 0 EJAAMO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccccn2)cc1 ZINC000006701321 210685300 /nfs/dbraw/zinc/68/53/00/210685300.db2.gz AYPTWCHUPZCUEE-UHFFFAOYSA-N 1 1 338.838 4.604 50 0 EJAAMO COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)c(OC)c1C ZINC000004985556 210350200 /nfs/dbraw/zinc/35/02/00/210350200.db2.gz KRJFIDDIAYZNLF-UHFFFAOYSA-N 1 1 335.447 4.797 50 0 EJAAMO Cc1cc(Cl)c(OCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000004913696 210320785 /nfs/dbraw/zinc/32/07/85/210320785.db2.gz QENZYTWVRBKUJJ-LLVKDONJSA-N 1 1 346.696 4.522 50 0 EJAAMO Cc1cc(Cl)c(OCC[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000004913696 210320790 /nfs/dbraw/zinc/32/07/90/210320790.db2.gz QENZYTWVRBKUJJ-LLVKDONJSA-N 1 1 346.696 4.522 50 0 EJAAMO C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cnccn1 ZINC000119183735 221261776 /nfs/dbraw/zinc/26/17/76/221261776.db2.gz IHOZGPTZRJMATD-LSDHHAIUSA-N 1 1 337.398 4.820 50 0 EJAAMO CCc1ccc(CN2CCC([N@@H+](CC)Cc3ccccc3)CC2)cc1 ZINC000004553796 258051023 /nfs/dbraw/zinc/05/10/23/258051023.db2.gz MAHCQHAMSYLWLJ-UHFFFAOYSA-N 1 1 336.523 4.736 50 0 EJAAMO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000192758371 525543407 /nfs/dbraw/zinc/54/34/07/525543407.db2.gz YUAZECNHUZQIIG-BQFCYCMXSA-N 1 1 342.483 4.791 50 0 EJAAMO c1ccc2cc(-c3cc(N4CCOCC4)c4ccccc4[nH+]3)ccc2c1 ZINC000005521541 563536901 /nfs/dbraw/zinc/53/69/01/563536901.db2.gz LGCPCOWCBCIEOX-UHFFFAOYSA-N 1 1 340.426 4.892 50 0 EJAAMO C[N@H+]1CCC[C@H](O[C@@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000006638626 563575881 /nfs/dbraw/zinc/57/58/81/563575881.db2.gz KJDWUCZKWFAWFB-LAUBAEHRSA-N 1 1 339.504 4.883 50 0 EJAAMO Clc1ccc(Cl)c(-c2ccc(C[NH2+]Cc3ccccn3)o2)c1 ZINC000007365267 563600035 /nfs/dbraw/zinc/60/00/35/563600035.db2.gz FZYUAJLGQUTASK-UHFFFAOYSA-N 1 1 333.218 4.938 50 0 EJAAMO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)o1 ZINC000012705022 563667971 /nfs/dbraw/zinc/66/79/71/563667971.db2.gz ANLRGQGKOZSEMF-HNNXBMFYSA-N 1 1 343.492 4.659 50 0 EJAAMO CCc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)o1 ZINC000012705022 563667975 /nfs/dbraw/zinc/66/79/75/563667975.db2.gz ANLRGQGKOZSEMF-HNNXBMFYSA-N 1 1 343.492 4.659 50 0 EJAAMO CC(C)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000013041212 563686283 /nfs/dbraw/zinc/68/62/83/563686283.db2.gz WUGZGVHGHSVDEZ-OAHLLOKOSA-N 1 1 344.886 4.922 50 0 EJAAMO CC(C)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000013041212 563686285 /nfs/dbraw/zinc/68/62/85/563686285.db2.gz WUGZGVHGHSVDEZ-OAHLLOKOSA-N 1 1 344.886 4.922 50 0 EJAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000029483115 563906795 /nfs/dbraw/zinc/90/67/95/563906795.db2.gz WZUJGLCWBQEIII-KRWDZBQOSA-N 1 1 349.261 4.551 50 0 EJAAMO COc1ccc(/C=C/C2=CC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000000283421 563917251 /nfs/dbraw/zinc/91/72/51/563917251.db2.gz NBQRFXCCXHXRCS-ONEGZZNKSA-N 1 1 335.447 4.549 50 0 EJAAMO COc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1OCc1ccccc1 ZINC000023282064 563919379 /nfs/dbraw/zinc/91/93/79/563919379.db2.gz VFFPPSBRWWWNFP-KRWDZBQOSA-N 1 1 325.452 4.506 50 0 EJAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]Cc1ccccc1F ZINC000058160852 563938418 /nfs/dbraw/zinc/93/84/18/563938418.db2.gz TWNNHLPKRDRGBN-UHFFFAOYSA-N 1 1 342.458 4.801 50 0 EJAAMO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000058296536 563942017 /nfs/dbraw/zinc/94/20/17/563942017.db2.gz XROXYMNMHRWABA-LJQANCHMSA-N 1 1 337.442 4.841 50 0 EJAAMO C[N@@H+](Cc1nc(-c2ccccc2)no1)C1CCC(c2ccccc2)CC1 ZINC000058394189 563944864 /nfs/dbraw/zinc/94/48/64/563944864.db2.gz AEHKQTYTFISOHJ-UHFFFAOYSA-N 1 1 347.462 4.895 50 0 EJAAMO COc1ccccc1[C@H](C)[NH2+][C@H](c1ccncc1)c1ccc(F)cc1 ZINC000096477233 563955021 /nfs/dbraw/zinc/95/50/21/563955021.db2.gz KQRAZMLBPRLNLZ-BTYIYWSLSA-N 1 1 336.410 4.670 50 0 EJAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065376230 563958890 /nfs/dbraw/zinc/95/88/90/563958890.db2.gz NTNKEVPUJMRNGE-NXNYUAIASA-N 1 1 345.446 4.629 50 0 EJAAMO CC/C=C\CCc1c(-c2ccccc2)ncn1CCn1cc[nH+]c1C ZINC000065426097 563960679 /nfs/dbraw/zinc/96/06/79/563960679.db2.gz NJXSSOIUWJZWJZ-PLNGDYQASA-N 1 1 334.467 4.654 50 0 EJAAMO Cc1cccc(-c2cc([C@H]3CC[N@@H+](Cc4ccco4)C3)ccn2)c1C ZINC000065435219 563960911 /nfs/dbraw/zinc/96/09/11/563960911.db2.gz WJVKPOABYFOFLV-IBGZPJMESA-N 1 1 332.447 4.948 50 0 EJAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000005082393 563994234 /nfs/dbraw/zinc/99/42/34/563994234.db2.gz JIADJVQUGRKWHR-PELKAZGASA-N 1 1 346.283 4.715 50 0 EJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2Sc1ccc(Cl)cc1 ZINC000005525563 564004984 /nfs/dbraw/zinc/00/49/84/564004984.db2.gz MXEIBCYOSABGBK-HKUYNNGSSA-N 1 1 344.911 4.963 50 0 EJAAMO Fc1cccc(-c2nc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)co2)c1 ZINC000048262063 564030332 /nfs/dbraw/zinc/03/03/32/564030332.db2.gz YSUPOJSVXCDGJC-IBGZPJMESA-N 1 1 340.373 4.957 50 0 EJAAMO Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)co2)c1 ZINC000048262063 564030333 /nfs/dbraw/zinc/03/03/33/564030333.db2.gz YSUPOJSVXCDGJC-IBGZPJMESA-N 1 1 340.373 4.957 50 0 EJAAMO CC(C)c1noc([C@@H](C)[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048326549 564031178 /nfs/dbraw/zinc/03/11/78/564031178.db2.gz NRRWEHNEJWEKSD-UZLBHIALSA-N 1 1 347.462 4.902 50 0 EJAAMO CC(C)c1noc([C@@H](C)[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048326549 564031179 /nfs/dbraw/zinc/03/11/79/564031179.db2.gz NRRWEHNEJWEKSD-UZLBHIALSA-N 1 1 347.462 4.902 50 0 EJAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000058773523 564031890 /nfs/dbraw/zinc/03/18/90/564031890.db2.gz ZAFJFOWSYFHMPC-YOEHRIQHSA-N 1 1 338.476 4.946 50 0 EJAAMO CC[NH+](CC)CCOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000032230907 564036050 /nfs/dbraw/zinc/03/60/50/564036050.db2.gz MRCUDDHDPPYVCN-UHFFFAOYSA-N 1 1 343.858 4.604 50 0 EJAAMO Fc1cccc(-c2nc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)co2)c1 ZINC000028965821 564047654 /nfs/dbraw/zinc/04/76/54/564047654.db2.gz MDRMNZARSCEVMR-HXUWFJFHSA-N 1 1 336.410 4.688 50 0 EJAAMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000003282715 564058989 /nfs/dbraw/zinc/05/89/89/564058989.db2.gz PGBOSHGQRMJEAQ-QFIPXVFZSA-N 1 1 329.443 4.709 50 0 EJAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2)cc1 ZINC000015836952 564076482 /nfs/dbraw/zinc/07/64/82/564076482.db2.gz BQJLGXQFWIWBHI-GOSISDBHSA-N 1 1 346.268 4.795 50 0 EJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(Br)cc2)cc1 ZINC000015836952 564076483 /nfs/dbraw/zinc/07/64/83/564076483.db2.gz BQJLGXQFWIWBHI-GOSISDBHSA-N 1 1 346.268 4.795 50 0 EJAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837219 564076489 /nfs/dbraw/zinc/07/64/89/564076489.db2.gz BCTKUZFIWDTAMS-LJQANCHMSA-N 1 1 343.442 4.959 50 0 EJAAMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc2c(c1)CCCC2 ZINC000075093152 564079985 /nfs/dbraw/zinc/07/99/85/564079985.db2.gz LDVDTIYGAJOHTI-INIZCTEOSA-N 1 1 331.463 4.806 50 0 EJAAMO C[C@H](CC[N@H+]1CCN2CCC[C@H]2[C@H]1C1CCCCC1)c1ccccc1 ZINC000239306252 564088060 /nfs/dbraw/zinc/08/80/60/564088060.db2.gz GPUZEMUACDCDIM-WTIAFYNJSA-N 1 1 340.555 4.909 50 0 EJAAMO C[C@H](CCN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1)c1ccccc1 ZINC000239306252 564088061 /nfs/dbraw/zinc/08/80/61/564088061.db2.gz GPUZEMUACDCDIM-WTIAFYNJSA-N 1 1 340.555 4.909 50 0 EJAAMO C[C@H](CCN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1)c1ccccc1 ZINC000239306252 564088062 /nfs/dbraw/zinc/08/80/62/564088062.db2.gz GPUZEMUACDCDIM-WTIAFYNJSA-N 1 1 340.555 4.909 50 0 EJAAMO CC1=C[C@@H](C)[C@@H](C[N@@H+](CCO)C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@H](C)C1 ZINC000239338590 564088077 /nfs/dbraw/zinc/08/80/77/564088077.db2.gz KUFAUZJRIITNBN-MCSHHISBSA-N 1 1 333.560 4.758 50 0 EJAAMO CC1=C[C@@H](C)[C@@H](C[NH2+]CCNC[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 ZINC000239433391 564088156 /nfs/dbraw/zinc/08/81/56/564088156.db2.gz XPPZSKFTXPXUHK-KINXCBNHSA-N 1 1 332.576 4.642 50 0 EJAAMO CC1=C[C@@H](C)[C@@H](CNCC[NH2+]C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 ZINC000239433391 564088157 /nfs/dbraw/zinc/08/81/57/564088157.db2.gz XPPZSKFTXPXUHK-KINXCBNHSA-N 1 1 332.576 4.642 50 0 EJAAMO CCCCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000239433698 564088162 /nfs/dbraw/zinc/08/81/62/564088162.db2.gz YIBLLNKVEAJJCJ-ODAXIHTASA-N 1 1 337.507 5.362 50 0 EJAAMO c1cncc([C@H]2CCCC[N@@H+]2CCCOc2ccc3c(c2)CCC3)c1 ZINC000006624477 564094619 /nfs/dbraw/zinc/09/46/19/564094619.db2.gz NOLGZYBMBYUYIW-JOCHJYFZSA-N 1 1 336.479 4.566 50 0 biogenic EJAAMO c1cncc([C@@H]2CCCC[N@@H+]2CCCOc2ccc3c(c2)CCC3)c1 ZINC000006624476 564094624 /nfs/dbraw/zinc/09/46/24/564094624.db2.gz NOLGZYBMBYUYIW-QFIPXVFZSA-N 1 1 336.479 4.566 50 0 biogenic EJAAMO CN(C)CCC[NH2+]CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006760476 564097330 /nfs/dbraw/zinc/09/73/30/564097330.db2.gz BFPYTBPJKQOKEE-FQEVSTJZSA-N 1 1 348.893 4.542 50 0 EJAAMO CC(C)c1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000170630990 564110616 /nfs/dbraw/zinc/11/06/16/564110616.db2.gz BKNIVXVTJOLSDT-UHFFFAOYSA-N 1 1 345.490 4.774 50 0 EJAAMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2Br)C1 ZINC000002823663 564117013 /nfs/dbraw/zinc/11/70/13/564117013.db2.gz XXNKKQHOPHTSDT-GFCCVEGCSA-N 1 1 346.696 4.603 50 0 EJAAMO COc1ccc(C[N@H+](Cc2cc(-c3cccs3)on2)C2CC2)cc1 ZINC000007662290 564121707 /nfs/dbraw/zinc/12/17/07/564121707.db2.gz GTGUEQZIWYLKTB-UHFFFAOYSA-N 1 1 340.448 4.576 50 0 EJAAMO COc1ccc(C[N@@H+](Cc2cc(-c3cccs3)on2)C2CC2)cc1 ZINC000007662290 564121708 /nfs/dbraw/zinc/12/17/08/564121708.db2.gz GTGUEQZIWYLKTB-UHFFFAOYSA-N 1 1 340.448 4.576 50 0 EJAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007789337 564123332 /nfs/dbraw/zinc/12/33/32/564123332.db2.gz ZRRICFKWJMVWTR-AWEZNQCLSA-N 1 1 336.410 4.543 50 0 EJAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007789337 564123333 /nfs/dbraw/zinc/12/33/33/564123333.db2.gz ZRRICFKWJMVWTR-AWEZNQCLSA-N 1 1 336.410 4.543 50 0 EJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000007918066 564125170 /nfs/dbraw/zinc/12/51/70/564125170.db2.gz MBNJTGXWKFACMX-NWDGAFQWSA-N 1 1 331.466 4.758 50 0 EJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000007918066 564125171 /nfs/dbraw/zinc/12/51/71/564125171.db2.gz MBNJTGXWKFACMX-NWDGAFQWSA-N 1 1 331.466 4.758 50 0 EJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2Sc1ccc(Cl)cc1 ZINC000253387534 564130361 /nfs/dbraw/zinc/13/03/61/564130361.db2.gz MXEIBCYOSABGBK-IEBWSBKVSA-N 1 1 344.911 4.963 50 0 EJAAMO c1ccc2c(c1)cccc2OC[C@H]1C[N@H+](C2CCCCC2)CS1 ZINC000019897349 564138269 /nfs/dbraw/zinc/13/82/69/564138269.db2.gz PTOXMOXKVOYELA-GOSISDBHSA-N 1 1 327.493 4.926 50 0 EJAAMO CCCn1c2ccccc2nc1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000095453818 564140659 /nfs/dbraw/zinc/14/06/59/564140659.db2.gz COXLPAPOEZUSPY-HXUWFJFHSA-N 1 1 348.494 4.959 50 0 EJAAMO CCCn1c2ccccc2nc1C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000095453818 564140660 /nfs/dbraw/zinc/14/06/60/564140660.db2.gz COXLPAPOEZUSPY-HXUWFJFHSA-N 1 1 348.494 4.959 50 0 EJAAMO CCO[C@H](C)c1nc(C[NH2+][C@]2(C)CCCc3ccccc32)cs1 ZINC000095960509 564142697 /nfs/dbraw/zinc/14/26/97/564142697.db2.gz DBEZIRXABCBRRX-AUUYWEPGSA-N 1 1 330.497 4.582 50 0 EJAAMO CC(C)OCCC[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000095961355 564142740 /nfs/dbraw/zinc/14/27/40/564142740.db2.gz HHMZRZFLBGNWBL-GOSISDBHSA-N 1 1 343.515 4.612 50 0 EJAAMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 ZINC000095964883 564142891 /nfs/dbraw/zinc/14/28/91/564142891.db2.gz JCDNLUAWUKKVEU-CABCVRRESA-N 1 1 330.422 4.977 50 0 EJAAMO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000095967999 564143166 /nfs/dbraw/zinc/14/31/66/564143166.db2.gz WIZGCFOFHBHWJT-DTWKUNHWSA-N 1 1 341.224 4.605 50 0 EJAAMO CCCc1ccc([C@H]([NH2+]Cc2csc(NC(C)=O)n2)C(C)C)cc1 ZINC000096955887 564149059 /nfs/dbraw/zinc/14/90/59/564149059.db2.gz JUQXMNZSMHFGGY-GOSISDBHSA-N 1 1 345.512 4.541 50 0 EJAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3ccccc3)c2cc1C(C)C ZINC000057406052 564153957 /nfs/dbraw/zinc/15/39/57/564153957.db2.gz AYFUMZYGRRTFIH-UHFFFAOYSA-N 1 1 335.447 4.857 50 0 EJAAMO Cc1ccc2c(C[N@H+](Cc3cccs3)C(C)C)cc(=O)oc2c1 ZINC000057570167 564155040 /nfs/dbraw/zinc/15/50/40/564155040.db2.gz LCNYYGGMTKLYLM-UHFFFAOYSA-N 1 1 327.449 4.574 50 0 EJAAMO C[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C1 ZINC000003456292 564158226 /nfs/dbraw/zinc/15/82/26/564158226.db2.gz RQSGIUPWCLBWNG-OAHLLOKOSA-N 1 1 338.476 4.548 50 0 EJAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C1 ZINC000003456292 564158227 /nfs/dbraw/zinc/15/82/27/564158227.db2.gz RQSGIUPWCLBWNG-OAHLLOKOSA-N 1 1 338.476 4.548 50 0 EJAAMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CCCc4ccccc43)c2cc1C ZINC000008126311 564162888 /nfs/dbraw/zinc/16/28/88/564162888.db2.gz CJIWPGFHMAPSDC-NRFANRHFSA-N 1 1 347.458 4.919 50 0 EJAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320219 564164318 /nfs/dbraw/zinc/16/43/18/564164318.db2.gz BGOONDJWFCOMKF-IUODEOHRSA-N 1 1 334.872 4.566 50 0 EJAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000008717969 564166852 /nfs/dbraw/zinc/16/68/52/564166852.db2.gz TUFKCQXQMQYRLP-OAHLLOKOSA-N 1 1 342.483 4.516 50 0 EJAAMO C[C@@]12CCCC[N@H+]1CCc1c3ccccc3n(Cc3ccccc3)c12 ZINC000051943491 214110197 /nfs/dbraw/zinc/11/01/97/214110197.db2.gz ZBJOXDVCELHJTF-QHCPKHFHSA-N 1 1 330.475 4.947 50 0 EJAAMO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1ccco1 ZINC000007523703 201722111 /nfs/dbraw/zinc/72/21/11/201722111.db2.gz JYDLMGMZFPEFEW-UHFFFAOYSA-N 1 1 345.801 4.941 50 0 EJAAMO CC(=O)O[C@]1(c2ccccc2)C[C@@H](C(C)(C)C)C[N@H+](C(C)(C)C)C1 ZINC000004188290 210141564 /nfs/dbraw/zinc/14/15/64/210141564.db2.gz XENZICQEFWMILM-WIYYLYMNSA-N 1 1 331.500 4.612 50 0 EJAAMO CSC1=[NH+]C(C)(C)C=C(C=Cc2ccc(C(F)(F)F)cc2)N1 ZINC000004039801 210106683 /nfs/dbraw/zinc/10/66/83/210106683.db2.gz WJCVZEYPHBJNER-RMKNXTFCSA-N 1 1 326.387 4.703 50 0 EJAAMO 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564088047 /nfs/dbraw/zinc/08/80/47/564088047.db2.gz GPUZEMUACDCDIM-UEVCKROQSA-N 1 1 340.555 4.909 50 0 EJAAMO C[C@H](CCN1CC[N@H+]2CCC[C@@H]2[C@H]1C1CCCCC1)c1ccccc1 ZINC000239306251 564088048 /nfs/dbraw/zinc/08/80/48/564088048.db2.gz GPUZEMUACDCDIM-UEVCKROQSA-N 1 1 340.555 4.909 50 0 EJAAMO CC1=C[C@@H](C)[C@@H](C[N@@H+](CCO)C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@@H](C)C1 ZINC000239338591 564088079 /nfs/dbraw/zinc/08/80/79/564088079.db2.gz KUFAUZJRIITNBN-RXGLGVBBSA-N 1 1 333.560 4.758 50 0 EJAAMO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(F)cc1Cl ZINC000065154891 564102075 /nfs/dbraw/zinc/10/20/75/564102075.db2.gz NHXVKUGXMYYPEK-UHFFFAOYSA-N 1 1 343.833 4.571 50 0 EJAAMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000065448558 564106035 /nfs/dbraw/zinc/10/60/35/564106035.db2.gz HULCOLKOTPWQNK-QAPCUYQASA-N 1 1 326.440 4.505 50 0 EJAAMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606863 564109594 /nfs/dbraw/zinc/10/95/94/564109594.db2.gz RDXJWDYYYVGSKU-AOMKIAJQSA-N 1 1 347.437 4.866 50 0 EJAAMO C[C@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2Br)C1 ZINC000002823662 564117033 /nfs/dbraw/zinc/11/70/33/564117033.db2.gz XXNKKQHOPHTSDT-LBPRGKRZSA-N 1 1 346.696 4.603 50 0 EJAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252265773 564118317 /nfs/dbraw/zinc/11/83/17/564118317.db2.gz OLBBZAMRFQROGV-YPMHNXCESA-N 1 1 331.466 4.758 50 0 EJAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252265773 564118318 /nfs/dbraw/zinc/11/83/18/564118318.db2.gz OLBBZAMRFQROGV-YPMHNXCESA-N 1 1 331.466 4.758 50 0 EJAAMO CC(C)[N@@H+](CC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000096027610 564145010 /nfs/dbraw/zinc/14/50/10/564145010.db2.gz IOXAIRGWPZCKBY-UHFFFAOYSA-N 1 1 331.459 4.862 50 0 EJAAMO Cc1ccc2c(C[N@@H+](C)Cc3cccc(Cl)c3)cc(=O)oc2c1C ZINC000057395613 564153867 /nfs/dbraw/zinc/15/38/67/564153867.db2.gz IQMCSHLBPUKWEO-UHFFFAOYSA-N 1 1 341.838 4.695 50 0 EJAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000008320458 564164266 /nfs/dbraw/zinc/16/42/66/564164266.db2.gz VEEGRTUBLRXOQL-KRWDZBQOSA-N 1 1 342.508 4.649 50 0 EJAAMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000008320458 564164267 /nfs/dbraw/zinc/16/42/67/564164267.db2.gz VEEGRTUBLRXOQL-KRWDZBQOSA-N 1 1 342.508 4.649 50 0 EJAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2ccc(OCCC)cc2c1=O ZINC000008717131 564166761 /nfs/dbraw/zinc/16/67/61/564166761.db2.gz KAEOAHUUUMYENL-UHFFFAOYSA-N 1 1 330.472 4.660 50 0 EJAAMO CCCCc1ccc2[nH]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717216 564166766 /nfs/dbraw/zinc/16/67/66/564166766.db2.gz CJSVSYJFVMRQGC-HNNXBMFYSA-N 1 1 326.484 4.823 50 0 EJAAMO CCO[C@H](C)c1nc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cs1 ZINC000076717144 564176485 /nfs/dbraw/zinc/17/64/85/564176485.db2.gz KSNFAIRXIJOLSV-CXAGYDPISA-N 1 1 336.476 4.867 50 0 EJAAMO Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccsc3)o2)cc1 ZINC000052803276 214147536 /nfs/dbraw/zinc/14/75/36/214147536.db2.gz YHWCFVCZAGOMCN-OAHLLOKOSA-N 1 1 345.855 4.789 50 0 EJAAMO Clc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccsc3)o2)cc1 ZINC000052803276 214147539 /nfs/dbraw/zinc/14/75/39/214147539.db2.gz YHWCFVCZAGOMCN-OAHLLOKOSA-N 1 1 345.855 4.789 50 0 EJAAMO Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000097698902 219049895 /nfs/dbraw/zinc/04/98/95/219049895.db2.gz OQAHQMZNJIGUGC-KRWDZBQOSA-N 1 1 338.348 4.967 50 0 EJAAMO Fc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000097698902 219049898 /nfs/dbraw/zinc/04/98/98/219049898.db2.gz OQAHQMZNJIGUGC-KRWDZBQOSA-N 1 1 338.348 4.967 50 0 EJAAMO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2csc(C(C)(C)C)n2)cc1 ZINC000067186613 215121627 /nfs/dbraw/zinc/12/16/27/215121627.db2.gz GSXHZQZWSMEOBD-CYBMUJFWSA-N 1 1 345.512 4.640 50 0 EJAAMO FCCC[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067491186 215154202 /nfs/dbraw/zinc/15/42/02/215154202.db2.gz GLOSDOSGDPTKSL-UHFFFAOYSA-N 1 1 336.410 4.726 50 0 EJAAMO CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000040466365 213309624 /nfs/dbraw/zinc/30/96/24/213309624.db2.gz SHWWQBLVGRQFTH-GOSISDBHSA-N 1 1 341.842 4.877 50 0 EJAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccccc1F)C1CCCCC1 ZINC000039969206 213247031 /nfs/dbraw/zinc/24/70/31/213247031.db2.gz GUQCGELWBSLNKF-UHFFFAOYSA-N 1 1 340.442 4.843 50 0 EJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1cccc2cnccc21 ZINC000019771188 202019371 /nfs/dbraw/zinc/01/93/71/202019371.db2.gz GAZJAIKLCCXBMP-UHFFFAOYSA-N 1 1 349.459 4.892 50 0 EJAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1cccc2cnccc21 ZINC000019771188 202019374 /nfs/dbraw/zinc/01/93/74/202019374.db2.gz GAZJAIKLCCXBMP-UHFFFAOYSA-N 1 1 349.459 4.892 50 0 EJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000039400593 213236864 /nfs/dbraw/zinc/23/68/64/213236864.db2.gz ZSGQDDJDISZTLL-FQEVSTJZSA-N 1 1 331.463 4.765 50 0 EJAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000039400593 213236867 /nfs/dbraw/zinc/23/68/67/213236867.db2.gz ZSGQDDJDISZTLL-FQEVSTJZSA-N 1 1 331.463 4.765 50 0 EJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000039400593 213236869 /nfs/dbraw/zinc/23/68/69/213236869.db2.gz ZSGQDDJDISZTLL-FQEVSTJZSA-N 1 1 331.463 4.765 50 0 EJAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039408730 213236954 /nfs/dbraw/zinc/23/69/54/213236954.db2.gz VHWZMUZKFCGALN-UXHICEINSA-N 1 1 332.919 4.569 50 0 EJAAMO Cc1cnc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3CC(C)C)s2)s1 ZINC000023379607 202102434 /nfs/dbraw/zinc/10/24/34/202102434.db2.gz TYAFQDLNKKJACB-CYBMUJFWSA-N 1 1 349.525 4.558 50 0 EJAAMO CC(C)c1ccc([C@@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000023717672 202108734 /nfs/dbraw/zinc/10/87/34/202108734.db2.gz BCYSHSUSHVNVKO-NRFANRHFSA-N 1 1 349.478 4.533 50 0 EJAAMO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000036832564 213121244 /nfs/dbraw/zinc/12/12/44/213121244.db2.gz VDNKSSIMYLDZQL-ZDUSSCGKSA-N 1 1 348.899 4.521 50 0 EJAAMO CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000036832564 213121249 /nfs/dbraw/zinc/12/12/49/213121249.db2.gz VDNKSSIMYLDZQL-ZDUSSCGKSA-N 1 1 348.899 4.521 50 0 EJAAMO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348229 213085501 /nfs/dbraw/zinc/08/55/01/213085501.db2.gz XFAKNXXGMOPPGH-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348229 213085504 /nfs/dbraw/zinc/08/55/04/213085504.db2.gz XFAKNXXGMOPPGH-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000035511232 213034784 /nfs/dbraw/zinc/03/47/84/213034784.db2.gz HHHNBYOEYGWGLP-OAQYLSRUSA-N 1 1 348.446 4.899 50 0 EJAAMO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1OCC ZINC000035511220 213035522 /nfs/dbraw/zinc/03/55/22/213035522.db2.gz AJZUHGLTYDQKML-KRWDZBQOSA-N 1 1 344.455 4.508 50 0 EJAAMO CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1OCC ZINC000035511220 213035524 /nfs/dbraw/zinc/03/55/24/213035524.db2.gz AJZUHGLTYDQKML-KRWDZBQOSA-N 1 1 344.455 4.508 50 0 EJAAMO Nc1ccccc1Nc1[nH+]c(-c2ccccc2)cn1-c1ccccc1 ZINC000027753492 212576334 /nfs/dbraw/zinc/57/63/34/212576334.db2.gz BUOQFOCYYQPYSQ-UHFFFAOYSA-N 1 1 326.403 4.865 50 0 EJAAMO COC[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C2CCCC2)s1 ZINC000216259319 241178805 /nfs/dbraw/zinc/17/88/05/241178805.db2.gz KPIJEXJABVOBQX-GOSISDBHSA-N 1 1 330.497 4.620 50 0 EJAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C2CCCC2)s1 ZINC000216259319 241178812 /nfs/dbraw/zinc/17/88/12/241178812.db2.gz KPIJEXJABVOBQX-GOSISDBHSA-N 1 1 330.497 4.620 50 0 EJAAMO Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccs3)n2)cc1 ZINC000021581246 212232825 /nfs/dbraw/zinc/23/28/25/212232825.db2.gz QFPIZJRRLISJPZ-AWEZNQCLSA-N 1 1 345.855 4.789 50 0 EJAAMO Clc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccs3)n2)cc1 ZINC000021581246 212232829 /nfs/dbraw/zinc/23/28/29/212232829.db2.gz QFPIZJRRLISJPZ-AWEZNQCLSA-N 1 1 345.855 4.789 50 0 EJAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000020908310 212185439 /nfs/dbraw/zinc/18/54/39/212185439.db2.gz WHNVCDLOMYGKLI-LJQANCHMSA-N 1 1 349.453 4.904 50 0 EJAAMO Oc1cccc(C[N@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c1 ZINC000071715283 203104938 /nfs/dbraw/zinc/10/49/38/203104938.db2.gz GCYCYAPRMBUXMA-MRXNPFEDSA-N 1 1 331.406 4.515 50 0 EJAAMO c1coc([C@H]2CCCCC[N@H+]2Cc2c[nH]c(CC3CCCC3)n2)c1 ZINC000072473044 203230521 /nfs/dbraw/zinc/23/05/21/203230521.db2.gz XAZCXBAYVMKELN-GOSISDBHSA-N 1 1 327.472 4.853 50 0 EJAAMO c1coc([C@H]2CCCCC[N@@H+]2Cc2c[nH]c(CC3CCCC3)n2)c1 ZINC000072473044 203230525 /nfs/dbraw/zinc/23/05/25/203230525.db2.gz XAZCXBAYVMKELN-GOSISDBHSA-N 1 1 327.472 4.853 50 0 EJAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)on1 ZINC000075448600 203314549 /nfs/dbraw/zinc/31/45/49/203314549.db2.gz PTTPIXHEZRTZSC-HNNXBMFYSA-N 1 1 342.468 4.587 50 0 EJAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)on1 ZINC000075448600 203314550 /nfs/dbraw/zinc/31/45/50/203314550.db2.gz PTTPIXHEZRTZSC-HNNXBMFYSA-N 1 1 342.468 4.587 50 0 EJAAMO CCc1ccc(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019842363 212075113 /nfs/dbraw/zinc/07/51/13/212075113.db2.gz BOYFUZNMKCIDKF-UHFFFAOYSA-N 1 1 344.502 4.720 50 0 EJAAMO CC(C)CC[N@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012242242 211330664 /nfs/dbraw/zinc/33/06/64/211330664.db2.gz FHWNZUNVFPJRJQ-AWEZNQCLSA-N 1 1 333.426 4.580 50 0 EJAAMO Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccccc3)n2)cc1 ZINC000010087866 211146582 /nfs/dbraw/zinc/14/65/82/211146582.db2.gz NUJUGEZRFUPBAL-QGZVFWFLSA-N 1 1 339.826 4.727 50 0 EJAAMO Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccccc3)n2)cc1 ZINC000010087866 211146585 /nfs/dbraw/zinc/14/65/85/211146585.db2.gz NUJUGEZRFUPBAL-QGZVFWFLSA-N 1 1 339.826 4.727 50 0 EJAAMO C[C@@H](c1ccccn1)[N@@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000095369317 218302003 /nfs/dbraw/zinc/30/20/03/218302003.db2.gz KGQMQRNMKKYVHB-ZDUSSCGKSA-N 1 1 331.257 4.570 50 0 EJAAMO Cc1c(C)n(C2CCCCC2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000008990494 211028124 /nfs/dbraw/zinc/02/81/24/211028124.db2.gz NVOWFFAEOXLPPB-UHFFFAOYSA-N 1 1 335.455 4.560 50 0 EJAAMO CC(C)C[C@H]([NH3+])c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000005094110 210388455 /nfs/dbraw/zinc/38/84/55/210388455.db2.gz HQXSJBGYQWMNLG-LBPRGKRZSA-N 1 1 346.283 4.715 50 0 EJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252265772 526183277 /nfs/dbraw/zinc/18/32/77/526183277.db2.gz OLBBZAMRFQROGV-AAEUAGOBSA-N 1 1 331.466 4.758 50 0 EJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252265772 526183287 /nfs/dbraw/zinc/18/32/87/526183287.db2.gz OLBBZAMRFQROGV-AAEUAGOBSA-N 1 1 331.466 4.758 50 0 EJAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000252427613 526946447 /nfs/dbraw/zinc/94/64/47/526946447.db2.gz VHWZMUZKFCGALN-VQTJNVASSA-N 1 1 332.919 4.569 50 0 EJAAMO COC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)c1 ZINC000000071653 563215433 /nfs/dbraw/zinc/21/54/33/563215433.db2.gz LKCAPBLJIGRYBZ-UHFFFAOYSA-N 1 1 326.783 4.727 50 0 EJAAMO CCC[N@@H+]1CCn2c3ccc(Br)cc3c3c2[C@@H]1CCC3 ZINC000000448435 563318439 /nfs/dbraw/zinc/31/84/39/563318439.db2.gz IRNXDKZUAGPSIT-INIZCTEOSA-N 1 1 333.273 4.507 50 0 biogenic EJAAMO CCC[N@H+]1CCn2c3ccc(Br)cc3c3c2[C@@H]1CCC3 ZINC000000448435 563318440 /nfs/dbraw/zinc/31/84/40/563318440.db2.gz IRNXDKZUAGPSIT-INIZCTEOSA-N 1 1 333.273 4.507 50 0 biogenic EJAAMO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000034878954 563362341 /nfs/dbraw/zinc/36/23/41/563362341.db2.gz OKINKJRZLKXZEO-KRWDZBQOSA-N 1 1 334.463 4.748 50 0 EJAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)c1ccc(Cl)cc1Cl ZINC000002515416 563436564 /nfs/dbraw/zinc/43/65/64/563436564.db2.gz RSBBFRCXJBLGDW-UHFFFAOYSA-N 1 1 332.230 4.596 50 0 EJAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515419 563436738 /nfs/dbraw/zinc/43/67/38/563436738.db2.gz LFODRXDUWVNIBY-UHFFFAOYSA-N 1 1 332.230 4.596 50 0 EJAAMO Clc1ccc(OCc2ccccc2)c(C[NH2+]Cc2cccnc2)c1 ZINC000006701591 563579621 /nfs/dbraw/zinc/57/96/21/563579621.db2.gz ZWIRBPGATNAJPD-UHFFFAOYSA-N 1 1 338.838 4.604 50 0 EJAAMO CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714089 563606816 /nfs/dbraw/zinc/60/68/16/563606816.db2.gz LCTCJOBCSAPDKS-UHFFFAOYSA-N 1 1 328.419 4.909 50 0 EJAAMO COc1cccc([C@@H](C)[N@H+](C)Cc2nc(-c3ccsc3)oc2C)c1 ZINC000012595602 563664658 /nfs/dbraw/zinc/66/46/58/563664658.db2.gz TWZOVAGQDZFMPP-CYBMUJFWSA-N 1 1 342.464 4.913 50 0 EJAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2nc(-c3ccsc3)oc2C)c1 ZINC000012595602 563664661 /nfs/dbraw/zinc/66/46/61/563664661.db2.gz TWZOVAGQDZFMPP-CYBMUJFWSA-N 1 1 342.464 4.913 50 0 EJAAMO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)o1 ZINC000012705018 563668057 /nfs/dbraw/zinc/66/80/57/563668057.db2.gz ANLRGQGKOZSEMF-OAHLLOKOSA-N 1 1 343.492 4.659 50 0 EJAAMO CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)o1 ZINC000012705018 563668059 /nfs/dbraw/zinc/66/80/59/563668059.db2.gz ANLRGQGKOZSEMF-OAHLLOKOSA-N 1 1 343.492 4.659 50 0 EJAAMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000012806666 563674522 /nfs/dbraw/zinc/67/45/22/563674522.db2.gz LOCSQFVTNWLUJX-SFHVURJKSA-N 1 1 346.474 4.916 50 0 EJAAMO Cc1ccc(C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)c(C)c1 ZINC000012942615 563678332 /nfs/dbraw/zinc/67/83/32/563678332.db2.gz SSTKDVAZDFJRMT-UHFFFAOYSA-N 1 1 341.842 4.639 50 0 EJAAMO Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)c(C)c1 ZINC000012942615 563678333 /nfs/dbraw/zinc/67/83/33/563678333.db2.gz SSTKDVAZDFJRMT-UHFFFAOYSA-N 1 1 341.842 4.639 50 0 EJAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)C(C2CC2)C2CC2)c(C)o1 ZINC000014948511 563767475 /nfs/dbraw/zinc/76/74/75/563767475.db2.gz DVZNLKPKKFEYAS-UHFFFAOYSA-N 1 1 340.467 4.669 50 0 EJAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000014980555 563769981 /nfs/dbraw/zinc/76/99/81/563769981.db2.gz GWTHKUPYTCJEFB-OAHLLOKOSA-N 1 1 345.533 4.873 50 0 EJAAMO COC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087058 563914823 /nfs/dbraw/zinc/91/48/23/563914823.db2.gz PKOJGKBOPJFURY-QGZVFWFLSA-N 1 1 329.465 4.652 50 0 EJAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000004982693 563919055 /nfs/dbraw/zinc/91/90/55/563919055.db2.gz NAHNPQKHHDCWMN-OAQYLSRUSA-N 1 1 332.447 4.971 50 0 EJAAMO Clc1cccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000253489407 563919856 /nfs/dbraw/zinc/91/98/56/563919856.db2.gz FDDGVKWNNYKGKF-VQTJNVASSA-N 1 1 332.919 4.569 50 0 EJAAMO Cc1cc(N[C@H](C)c2nnc(-c3ccccc3)o2)ccc1[NH+]1CCCC1 ZINC000057964467 563936055 /nfs/dbraw/zinc/93/60/55/563936055.db2.gz VQUKNCHZRNAISA-MRXNPFEDSA-N 1 1 348.450 4.818 50 0 EJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000058081597 563937157 /nfs/dbraw/zinc/93/71/57/563937157.db2.gz IYFDIFYDLBZXOO-QGZVFWFLSA-N 1 1 338.476 4.919 50 0 EJAAMO Cc1ccc2c(C[N@@H+]3CC=C(c4ccccc4)CC3)cc(=O)oc2c1C ZINC000058158767 563938170 /nfs/dbraw/zinc/93/81/70/563938170.db2.gz MRMOXRHPRLBWFV-UHFFFAOYSA-N 1 1 345.442 4.699 50 0 EJAAMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000058167885 563938861 /nfs/dbraw/zinc/93/88/61/563938861.db2.gz RSINPSFOFTUPCI-QGZVFWFLSA-N 1 1 344.524 4.656 50 0 EJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc2ccccc2c1 ZINC000058356871 563943600 /nfs/dbraw/zinc/94/36/00/563943600.db2.gz DUONXWZGYBUXKU-NRFANRHFSA-N 1 1 348.421 4.755 50 0 EJAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc2ccccc2c1 ZINC000058356871 563943602 /nfs/dbraw/zinc/94/36/02/563943602.db2.gz DUONXWZGYBUXKU-NRFANRHFSA-N 1 1 348.421 4.755 50 0 EJAAMO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccccc2Br)on1 ZINC000064984445 563957457 /nfs/dbraw/zinc/95/74/57/563957457.db2.gz SRESVXJNNDPOLP-MRXNPFEDSA-N 1 1 349.272 4.898 50 0 EJAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccccc2Br)on1 ZINC000064984445 563957459 /nfs/dbraw/zinc/95/74/59/563957459.db2.gz SRESVXJNNDPOLP-MRXNPFEDSA-N 1 1 349.272 4.898 50 0 EJAAMO CC(C)c1ccc(-c2cc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)ccn2)cc1 ZINC000065429842 563960852 /nfs/dbraw/zinc/96/08/52/563960852.db2.gz PUQAPAPDTOLPHA-FQEVSTJZSA-N 1 1 346.478 4.585 50 0 EJAAMO c1ccc2[nH]c(-c3cccc(Nc4[nH]c5ccccc5[nH+]4)c3)nc2c1 ZINC000073636069 563966516 /nfs/dbraw/zinc/96/65/16/563966516.db2.gz BBYHKRLXMWUPHE-UHFFFAOYSA-N 1 1 325.375 4.850 50 0 EJAAMO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)on1 ZINC000075448605 563967318 /nfs/dbraw/zinc/96/73/18/563967318.db2.gz PTTPIXHEZRTZSC-OAHLLOKOSA-N 1 1 342.468 4.587 50 0 EJAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)on1 ZINC000075448605 563967319 /nfs/dbraw/zinc/96/73/19/563967319.db2.gz PTTPIXHEZRTZSC-OAHLLOKOSA-N 1 1 342.468 4.587 50 0 EJAAMO c1cn(CC2CCC2)c([C@@H]2CCCN(c3ccc4ccccc4n3)C2)[nH+]1 ZINC000095379258 563976861 /nfs/dbraw/zinc/97/68/61/563976861.db2.gz QJBBEGKBWRXUHO-LJQANCHMSA-N 1 1 346.478 4.615 50 0 EJAAMO COc1ccccc1-c1[nH+]c2cccc(C)n2c1NCc1ccccc1 ZINC000000319608 563991126 /nfs/dbraw/zinc/99/11/26/563991126.db2.gz WJOKODNWOBGBGU-UHFFFAOYSA-N 1 1 343.430 4.930 50 0 EJAAMO COc1cccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccccc2)c1 ZINC000000319814 563991167 /nfs/dbraw/zinc/99/11/67/563991167.db2.gz IOENROLOXLNJNA-UHFFFAOYSA-N 1 1 343.430 4.930 50 0 EJAAMO O=C(C[NH+]1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000271544 564000145 /nfs/dbraw/zinc/00/01/45/564000145.db2.gz CYLVKGNEUGZSPN-UHFFFAOYSA-N 1 1 344.867 4.565 50 0 EJAAMO Clc1ccc(C[N@H+]2CCC[C@@H](COCc3ccccc3)C2)cc1 ZINC000062161892 564003648 /nfs/dbraw/zinc/00/36/48/564003648.db2.gz JJCXOIKXBNSVTC-LJQANCHMSA-N 1 1 329.871 4.769 50 0 EJAAMO COc1ccc2cc(C[N@H+](C)Cc3ccccc3)c(Cl)nc2c1 ZINC000014672798 564023688 /nfs/dbraw/zinc/02/36/88/564023688.db2.gz OHTHBBOOFBYHMA-UHFFFAOYSA-N 1 1 326.827 4.529 50 0 EJAAMO COc1ccc2cc(C[N@@H+](C)Cc3ccccc3)c(Cl)nc2c1 ZINC000014672798 564023689 /nfs/dbraw/zinc/02/36/89/564023689.db2.gz OHTHBBOOFBYHMA-UHFFFAOYSA-N 1 1 326.827 4.529 50 0 EJAAMO Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccsc3)co2)c1 ZINC000046088973 564029546 /nfs/dbraw/zinc/02/95/46/564029546.db2.gz IMNLAHMKGPIBCB-KRWDZBQOSA-N 1 1 328.412 4.879 50 0 EJAAMO Fc1cccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccsc3)co2)c1 ZINC000046088973 564029547 /nfs/dbraw/zinc/02/95/47/564029547.db2.gz IMNLAHMKGPIBCB-KRWDZBQOSA-N 1 1 328.412 4.879 50 0 EJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048234205 564030102 /nfs/dbraw/zinc/03/01/02/564030102.db2.gz OLBBZAMRFQROGV-WCQYABFASA-N 1 1 331.466 4.758 50 0 EJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048234205 564030103 /nfs/dbraw/zinc/03/01/03/564030103.db2.gz OLBBZAMRFQROGV-WCQYABFASA-N 1 1 331.466 4.758 50 0 EJAAMO Cc1ccc2c(C[N@H+]3CCC[C@H]3c3ccsc3)cc(=O)oc2c1 ZINC000048367589 564031566 /nfs/dbraw/zinc/03/15/66/564031566.db2.gz PUJUDTUTWQJWRK-KRWDZBQOSA-N 1 1 325.433 4.500 50 0 EJAAMO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C(C)(C)C)cc1 ZINC000003584402 564060043 /nfs/dbraw/zinc/06/00/43/564060043.db2.gz JNFIAGKAVVMAQW-UHFFFAOYSA-N 1 1 344.886 4.708 50 0 EJAAMO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C(C)(C)C)cc1 ZINC000003584402 564060044 /nfs/dbraw/zinc/06/00/44/564060044.db2.gz JNFIAGKAVVMAQW-UHFFFAOYSA-N 1 1 344.886 4.708 50 0 EJAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015836996 564076430 /nfs/dbraw/zinc/07/64/30/564076430.db2.gz XYZDAVUBNAJSJR-OAQYLSRUSA-N 1 1 325.452 4.821 50 0 EJAAMO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837222 564076501 /nfs/dbraw/zinc/07/65/01/564076501.db2.gz BCTKUZFIWDTAMS-IBGZPJMESA-N 1 1 343.442 4.959 50 0 EJAAMO CC1(C)CCC[C@@H]1[N@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000075105238 564080176 /nfs/dbraw/zinc/08/01/76/564080176.db2.gz QLNNWYYCLZOKMV-KRWDZBQOSA-N 1 1 325.456 4.528 50 0 EJAAMO CC1(C)CCC[C@@H]1[N@@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000075105238 564080177 /nfs/dbraw/zinc/08/01/77/564080177.db2.gz QLNNWYYCLZOKMV-KRWDZBQOSA-N 1 1 325.456 4.528 50 0 EJAAMO C[N@@H+](CCOC(c1ccccc1)c1ccccc1)CCc1ccccc1 ZINC000075260652 564081296 /nfs/dbraw/zinc/08/12/96/564081296.db2.gz LWSAPOIQJSLPOW-UHFFFAOYSA-N 1 1 345.486 4.967 50 0 EJAAMO CC[C@@H](C)[C@@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000006224215 564083099 /nfs/dbraw/zinc/08/30/99/564083099.db2.gz CMUDICHQEPXIDK-PRHODGIISA-N 1 1 346.283 4.715 50 0 EJAAMO c1ccc2cc(CN3CC[N@H+]4CCC[C@H]4[C@H]3C3CCCCC3)ccc2c1 ZINC000239310416 564088073 /nfs/dbraw/zinc/08/80/73/564088073.db2.gz IKAFQONNWBCPOP-BJKOFHAPSA-N 1 1 348.534 5.069 50 0 EJAAMO c1ccc2cc(C[N@@H+]3CCN4CCC[C@H]4[C@H]3C3CCCCC3)ccc2c1 ZINC000239310416 564088074 /nfs/dbraw/zinc/08/80/74/564088074.db2.gz IKAFQONNWBCPOP-BJKOFHAPSA-N 1 1 348.534 5.069 50 0 EJAAMO c1ccc2cc(C[N@H+]3CCN4CCC[C@H]4[C@H]3C3CCCCC3)ccc2c1 ZINC000239310416 564088075 /nfs/dbraw/zinc/08/80/75/564088075.db2.gz IKAFQONNWBCPOP-BJKOFHAPSA-N 1 1 348.534 5.069 50 0 EJAAMO CC(C)[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H]1C ZINC000239402511 564088094 /nfs/dbraw/zinc/08/80/94/564088094.db2.gz QTCCWCRPTWVSSV-UDMCKFQASA-N 1 1 337.507 5.074 50 0 EJAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000242324334 564088513 /nfs/dbraw/zinc/08/85/13/564088513.db2.gz ZAFJFOWSYFHMPC-PBHICJAKSA-N 1 1 338.476 4.946 50 0 EJAAMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000006861431 564099868 /nfs/dbraw/zinc/09/98/68/564099868.db2.gz OHCCMVJVEZHNJA-JKSUJKDBSA-N 1 1 342.458 4.798 50 0 EJAAMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000006861431 564099869 /nfs/dbraw/zinc/09/98/69/564099869.db2.gz OHCCMVJVEZHNJA-JKSUJKDBSA-N 1 1 342.458 4.798 50 0 EJAAMO CCOc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]2C(C)(C)CC)n1 ZINC000089941990 564115559 /nfs/dbraw/zinc/11/55/59/564115559.db2.gz DKHDYLXUDBXEQY-QGZVFWFLSA-N 1 1 343.471 4.536 50 0 EJAAMO FC(F)(F)c1cc([C@@H]([NH2+]Cc2ccon2)C2CC2)ccc1Cl ZINC000390833543 564120231 /nfs/dbraw/zinc/12/02/31/564120231.db2.gz JDFOCVZEWHAKQC-AWEZNQCLSA-N 1 1 330.737 4.588 50 0 EJAAMO c1ccc(C[N@H+]2CC[C@H]([C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000101359236 564129494 /nfs/dbraw/zinc/12/94/94/564129494.db2.gz BLHARDLNGUCJNB-GMAHTHKFSA-N 1 1 328.459 4.736 50 0 EJAAMO CCCCCc1ccc([C@H](CC)[NH2+][C@H](C)c2nnc3n2CCC3)cc1 ZINC000095940746 564141995 /nfs/dbraw/zinc/14/19/95/564141995.db2.gz GNKRTYNTCIBSJZ-APWZRJJASA-N 1 1 340.515 4.759 50 0 EJAAMO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 ZINC000095964885 564142889 /nfs/dbraw/zinc/14/28/89/564142889.db2.gz JCDNLUAWUKKVEU-HUUCEWRRSA-N 1 1 330.422 4.977 50 0 EJAAMO CC[C@H](C)[N@@H+](C)C1CCN(C(=S)Nc2c(C)cc(C)cc2C)CC1 ZINC000003060255 564154840 /nfs/dbraw/zinc/15/48/40/564154840.db2.gz FKKUKHGYUXYDED-KRWDZBQOSA-N 1 1 347.572 4.503 50 0 EJAAMO CC1CC[NH+]([C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000058012682 564157194 /nfs/dbraw/zinc/15/71/94/564157194.db2.gz JSSDUTBKRSCJAU-IBGZPJMESA-N 1 1 348.918 4.562 50 0 EJAAMO FC(F)(F)c1cccnc1NCC[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000670460112 564161030 /nfs/dbraw/zinc/16/10/30/564161030.db2.gz LJORXNOBGXYVTP-HNNXBMFYSA-N 1 1 341.421 4.700 50 0 EJAAMO Cc1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000008127453 564162971 /nfs/dbraw/zinc/16/29/71/564162971.db2.gz PAKDBONCVFNSNS-UHFFFAOYSA-N 1 1 332.447 4.527 50 0 EJAAMO Cc1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000008127453 564162972 /nfs/dbraw/zinc/16/29/72/564162972.db2.gz PAKDBONCVFNSNS-UHFFFAOYSA-N 1 1 332.447 4.527 50 0 EJAAMO CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000008389181 564164853 /nfs/dbraw/zinc/16/48/53/564164853.db2.gz 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ZINC000005698949 564019324 /nfs/dbraw/zinc/01/93/24/564019324.db2.gz TZYCOGSJLNLMCK-CVEARBPZSA-N 1 1 334.246 4.522 50 0 EJAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)co2)cc1 ZINC000048339851 564031205 /nfs/dbraw/zinc/03/12/05/564031205.db2.gz CALUVDRRVGCHQW-OAQYLSRUSA-N 1 1 332.447 4.857 50 0 EJAAMO COc1ccc(OC)c(C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000025260251 564036907 /nfs/dbraw/zinc/03/69/07/564036907.db2.gz UMYHZFPHAWVQOS-UHFFFAOYSA-N 1 1 333.431 4.583 50 0 EJAAMO c1ccc(C[C@H]([NH2+]Cc2nc3ccccc3o2)c2ccccc2)cc1 ZINC000052661529 564054542 /nfs/dbraw/zinc/05/45/42/564054542.db2.gz BYRRTVKAIKZFOE-FQEVSTJZSA-N 1 1 328.415 4.901 50 0 EJAAMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000083973355 564065392 /nfs/dbraw/zinc/06/53/92/564065392.db2.gz NBTMWFBWAVJHOW-IBGZPJMESA-N 1 1 348.446 4.557 50 0 EJAAMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000012767390 564068253 /nfs/dbraw/zinc/06/82/53/564068253.db2.gz YZPQRRYNVAHOEH-MSOLQXFVSA-N 1 1 346.474 4.538 50 0 EJAAMO COc1ccc(C2=CC[N@@H+]([C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000084647281 564069345 /nfs/dbraw/zinc/06/93/45/564069345.db2.gz MBNYBFQUHOCONE-AWEZNQCLSA-N 1 1 329.390 4.824 50 0 EJAAMO COc1ccc(C2=CC[N@H+]([C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000084647281 564069346 /nfs/dbraw/zinc/06/93/46/564069346.db2.gz MBNYBFQUHOCONE-AWEZNQCLSA-N 1 1 329.390 4.824 50 0 EJAAMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000063577743 564073246 /nfs/dbraw/zinc/07/32/46/564073246.db2.gz KKPYVDDNQMKFQP-INIZCTEOSA-N 1 1 344.458 4.664 50 0 EJAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1OC ZINC000015837296 564076498 /nfs/dbraw/zinc/07/64/98/564076498.db2.gz VVLPGXSZQGKQGR-SFHVURJKSA-N 1 1 329.415 4.570 50 0 EJAAMO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862304 564077002 /nfs/dbraw/zinc/07/70/02/564077002.db2.gz UPKREYCEGGJUMT-UHFFFAOYSA-N 1 1 334.463 4.557 50 0 EJAAMO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1cccc3ccccc31)C2 ZINC000064142996 564085266 /nfs/dbraw/zinc/08/52/66/564085266.db2.gz MDQAABQLEKQAOY-MRXNPFEDSA-N 1 1 344.458 4.918 50 0 EJAAMO CC(C)[N@@H+](Cc1ccccc1)CN1c2cccc3cccc(c23)C1=O ZINC000013000042 564086287 /nfs/dbraw/zinc/08/62/87/564086287.db2.gz FEEGGUXKWMBKAV-UHFFFAOYSA-N 1 1 330.431 4.668 50 0 EJAAMO CC(C)[N@H+](Cc1ccccc1)CN1c2cccc3cccc(c23)C1=O ZINC000013000042 564086288 /nfs/dbraw/zinc/08/62/88/564086288.db2.gz FEEGGUXKWMBKAV-UHFFFAOYSA-N 1 1 330.431 4.668 50 0 EJAAMO CC1=C[C@@H](C)[C@@H](C[NH2+]CCNC[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@@H](C)C1 ZINC000239433393 564088159 /nfs/dbraw/zinc/08/81/59/564088159.db2.gz XPPZSKFTXPXUHK-RXGLGVBBSA-N 1 1 332.576 4.642 50 0 EJAAMO CC1=C[C@@H](C)[C@@H](CNCC[NH2+]C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@@H](C)C1 ZINC000239433393 564088160 /nfs/dbraw/zinc/08/81/60/564088160.db2.gz XPPZSKFTXPXUHK-RXGLGVBBSA-N 1 1 332.576 4.642 50 0 EJAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000241338543 564088326 /nfs/dbraw/zinc/08/83/26/564088326.db2.gz MBNJTGXWKFACMX-NEPJUHHUSA-N 1 1 331.466 4.758 50 0 EJAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000241338543 564088327 /nfs/dbraw/zinc/08/83/27/564088327.db2.gz MBNJTGXWKFACMX-NEPJUHHUSA-N 1 1 331.466 4.758 50 0 EJAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000242284616 564088509 /nfs/dbraw/zinc/08/85/09/564088509.db2.gz YIDXPZFRIWKIBD-DOMZBBRYSA-N 1 1 334.872 4.566 50 0 EJAAMO Cc1cc(C)c(OCCC[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000002822490 564116947 /nfs/dbraw/zinc/11/69/47/564116947.db2.gz VAESAOPTTWVSLB-ZDUSSCGKSA-N 1 1 340.305 4.567 50 0 EJAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)c(C)c1 ZINC000252452302 564118491 /nfs/dbraw/zinc/11/84/91/564118491.db2.gz BBWLQNXFFZVDJX-QAPCUYQASA-N 1 1 328.481 4.529 50 0 EJAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccsc2)c(C)c1 ZINC000252452302 564118492 /nfs/dbraw/zinc/11/84/92/564118492.db2.gz BBWLQNXFFZVDJX-QAPCUYQASA-N 1 1 328.481 4.529 50 0 EJAAMO C[C@@H]([NH2+]CCCN(C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000002126657 564118507 /nfs/dbraw/zinc/11/85/07/564118507.db2.gz PZEUCIVVVWVHAI-MRXNPFEDSA-N 1 1 330.560 4.810 50 0 biogenic EJAAMO C[C@@H](NCCC[NH+](C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000002126657 564118508 /nfs/dbraw/zinc/11/85/08/564118508.db2.gz PZEUCIVVVWVHAI-MRXNPFEDSA-N 1 1 330.560 4.810 50 0 biogenic EJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007913194 564125129 /nfs/dbraw/zinc/12/51/29/564125129.db2.gz GQIOHWNVNOLQET-AWEZNQCLSA-N 1 1 337.448 4.648 50 0 EJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007913194 564125130 /nfs/dbraw/zinc/12/51/30/564125130.db2.gz GQIOHWNVNOLQET-AWEZNQCLSA-N 1 1 337.448 4.648 50 0 EJAAMO CC[N@@H+]1Cc2cccc(NC(=O)c3cc(Cl)sc3Cl)c2C1 ZINC000095464971 564140942 /nfs/dbraw/zinc/14/09/42/564140942.db2.gz HDARLOZOPFDIEM-UHFFFAOYSA-N 1 1 341.263 4.643 50 0 EJAAMO CC[N@H+]1Cc2cccc(NC(=O)c3cc(Cl)sc3Cl)c2C1 ZINC000095464971 564140943 /nfs/dbraw/zinc/14/09/43/564140943.db2.gz HDARLOZOPFDIEM-UHFFFAOYSA-N 1 1 341.263 4.643 50 0 EJAAMO FC(F)(F)c1cccc(OCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000096027775 564145057 /nfs/dbraw/zinc/14/50/57/564145057.db2.gz FNDIBOXPXWYHFT-UHFFFAOYSA-N 1 1 335.369 4.533 50 0 EJAAMO CCc1ccc2c(C[N@H+]3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 ZINC000057758631 564155740 /nfs/dbraw/zinc/15/57/40/564155740.db2.gz QGZJQNMNRUCDNJ-QGZVFWFLSA-N 1 1 339.460 4.754 50 0 EJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(Oc3ccccc3)c2c1C ZINC000008705235 564166453 /nfs/dbraw/zinc/16/64/53/564166453.db2.gz ZAWZKQKTOYBYEW-UHFFFAOYSA-N 1 1 339.464 4.696 50 0 EJAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717813 564166776 /nfs/dbraw/zinc/16/67/76/564166776.db2.gz MBLHIKGDVPBSKF-ZDUSSCGKSA-N 1 1 348.874 4.675 50 0 EJAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+]1CCC[C@H](C)C1 ZINC000008717968 564166867 /nfs/dbraw/zinc/16/68/67/564166867.db2.gz TUFKCQXQMQYRLP-HNNXBMFYSA-N 1 1 342.483 4.516 50 0 EJAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+]1CCCC[C@@H]1C ZINC000008717967 564166872 /nfs/dbraw/zinc/16/68/72/564166872.db2.gz IUGCVVCGSXFFNP-HNNXBMFYSA-N 1 1 342.483 4.658 50 0 EJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000009377406 564173188 /nfs/dbraw/zinc/17/31/88/564173188.db2.gz AKMXKIOBBUSCTE-FAKMSMKASA-N 1 1 329.509 4.671 50 0 EJAAMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1ccccc1 ZINC000009504132 564173914 /nfs/dbraw/zinc/17/39/14/564173914.db2.gz CQVGYCYGJNVMBF-OAHLLOKOSA-N 1 1 335.451 4.885 50 0 EJAAMO Cc1cccc(-c2ncc(C[NH2+][C@H](C)c3ccccc3Cl)cn2)c1 ZINC000055371215 214313889 /nfs/dbraw/zinc/31/38/89/214313889.db2.gz MQGARODGEBRFJU-OAHLLOKOSA-N 1 1 337.854 4.956 50 0 EJAAMO CSc1ccc(-c2nc(Cn3cc[nH+]c3C(C)C)c(C)o2)cc1 ZINC000067756156 215204441 /nfs/dbraw/zinc/20/44/41/215204441.db2.gz IVNYFQGTLOYVCS-UHFFFAOYSA-N 1 1 327.453 4.740 50 0 EJAAMO C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000040487734 213316660 /nfs/dbraw/zinc/31/66/60/213316660.db2.gz KHQWMNSBAJNSSJ-GFCCVEGCSA-N 1 1 329.856 4.709 50 0 EJAAMO CCc1ccc(C[N@@H+](C)CCCC(=O)Nc2c(C)cccc2C)cc1 ZINC000040461099 213307407 /nfs/dbraw/zinc/30/74/07/213307407.db2.gz KBGSMXQLGOOHEP-UHFFFAOYSA-N 1 1 338.495 4.717 50 0 EJAAMO Cc1c(C)n(-c2ccccn2)c2[nH+]c(-c3ccccc3)c(C)c(N)c12 ZINC000040268973 213287152 /nfs/dbraw/zinc/28/71/52/213287152.db2.gz WFHJYLDUDZMBHH-UHFFFAOYSA-N 1 1 328.419 4.595 50 0 EJAAMO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000040057091 213255151 /nfs/dbraw/zinc/25/51/51/213255151.db2.gz PCEKUMCEQMRZMI-XXWNAHEMSA-N 1 1 331.504 4.576 50 0 EJAAMO c1cc([C@H]2CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)n[nH]1 ZINC000039455216 213238263 /nfs/dbraw/zinc/23/82/63/213238263.db2.gz RPOZBKSVZOZIQK-SFHVURJKSA-N 1 1 333.435 4.582 50 0 EJAAMO c1cc([C@H]2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)[nH]n1 ZINC000039455216 213238265 /nfs/dbraw/zinc/23/82/65/213238265.db2.gz RPOZBKSVZOZIQK-SFHVURJKSA-N 1 1 333.435 4.582 50 0 EJAAMO c1cc([C@H]2CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)[nH]n1 ZINC000039455216 213238267 /nfs/dbraw/zinc/23/82/67/213238267.db2.gz RPOZBKSVZOZIQK-SFHVURJKSA-N 1 1 333.435 4.582 50 0 EJAAMO CCC[N@H+](Cc1nc(-c2ccc(SC)cc2)oc1C)CC1CC1 ZINC000020256868 202036295 /nfs/dbraw/zinc/03/62/95/202036295.db2.gz FEIMGANPMNAEMS-UHFFFAOYSA-N 1 1 330.497 4.994 50 0 EJAAMO C[N@@H+](CCC(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000022198245 202080759 /nfs/dbraw/zinc/08/07/59/202080759.db2.gz NJKWDHMLLAASPK-UHFFFAOYSA-N 1 1 344.458 4.737 50 0 EJAAMO Cc1ccc(-c2nnc(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)o2)cc1 ZINC000025928656 202136363 /nfs/dbraw/zinc/13/63/63/202136363.db2.gz KUGOIGHMXBJWJA-LJQANCHMSA-N 1 1 339.414 4.671 50 0 EJAAMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC000036031636 213057110 /nfs/dbraw/zinc/05/71/10/213057110.db2.gz HAIRCBXPJLYHGO-QHCPKHFHSA-N 1 1 331.459 4.731 50 0 EJAAMO CC(C)Cn1cncc1C[N@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072153974 216041748 /nfs/dbraw/zinc/04/17/48/216041748.db2.gz GAHAWWPHPAPNQE-IBGZPJMESA-N 1 1 343.490 4.523 50 0 EJAAMO Fc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)c1 ZINC000036348237 202321415 /nfs/dbraw/zinc/32/14/15/202321415.db2.gz CODFRLOSNQBFHG-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)c1 ZINC000036348237 202321418 /nfs/dbraw/zinc/32/14/18/202321418.db2.gz CODFRLOSNQBFHG-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO Cc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1ccccc1F ZINC000036348302 202321593 /nfs/dbraw/zinc/32/15/93/202321593.db2.gz HXKPTQQHXDSKCO-QFIPXVFZSA-N 1 1 334.438 4.931 50 0 EJAAMO COc1cccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)C)c1 ZINC000000320279 209535791 /nfs/dbraw/zinc/53/57/91/209535791.db2.gz IGYKRUCDIOJDBB-UHFFFAOYSA-N 1 1 329.831 4.874 50 0 EJAAMO COc1cccc([C@@H]2CC[N@H+]2Cc2c[nH]nc2-c2ccc(C)c(C)c2)c1 ZINC000072409445 216200789 /nfs/dbraw/zinc/20/07/89/216200789.db2.gz IKJVEXWJHOFMAX-NRFANRHFSA-N 1 1 347.462 4.649 50 0 EJAAMO C[N@@H+](Cc1cnc(C2CCCCC2)nc1)Cc1cccc2cnccc21 ZINC000072463161 216245057 /nfs/dbraw/zinc/24/50/57/216245057.db2.gz NRNPOJUXOMWGFF-UHFFFAOYSA-N 1 1 346.478 4.705 50 0 EJAAMO CC(C)c1ccc([C@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000023717669 212391922 /nfs/dbraw/zinc/39/19/22/212391922.db2.gz BCYSHSUSHVNVKO-OAQYLSRUSA-N 1 1 349.478 4.533 50 0 EJAAMO OC(c1ccccc1)(c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000023549911 212383077 /nfs/dbraw/zinc/38/30/77/212383077.db2.gz AZOXPIPWRDWNBA-HSZRJFAPSA-N 1 1 343.470 4.587 50 0 EJAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)Cc1cccc2cnccc21 ZINC000023192054 212359526 /nfs/dbraw/zinc/35/95/26/212359526.db2.gz BXVJFABUPOKWSG-UHFFFAOYSA-N 1 1 349.459 4.892 50 0 EJAAMO Cc1oc(-c2ccsc2)nc1C[N@H+](C)Cc1cccc2cnccc21 ZINC000023192054 212359530 /nfs/dbraw/zinc/35/95/30/212359530.db2.gz BXVJFABUPOKWSG-UHFFFAOYSA-N 1 1 349.459 4.892 50 0 EJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc3cccnc32)c(OC)c1 ZINC000022516194 212303735 /nfs/dbraw/zinc/30/37/35/212303735.db2.gz TYIGXXDZVAOSNU-HXUWFJFHSA-N 1 1 348.446 4.589 50 0 EJAAMO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1Br ZINC000021720820 212245210 /nfs/dbraw/zinc/24/52/10/212245210.db2.gz OKWPJJALOCRZHF-OAHLLOKOSA-N 1 1 349.272 4.645 50 0 EJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1Br ZINC000021720820 212245212 /nfs/dbraw/zinc/24/52/12/212245212.db2.gz OKWPJJALOCRZHF-OAHLLOKOSA-N 1 1 349.272 4.645 50 0 EJAAMO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(CCC)on2)cc1 ZINC000021720372 212244065 /nfs/dbraw/zinc/24/40/65/212244065.db2.gz CCYIVAHOTZIWLB-HXUWFJFHSA-N 1 1 328.456 4.753 50 0 EJAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(CCC)on2)cc1 ZINC000021720372 212244067 /nfs/dbraw/zinc/24/40/67/212244067.db2.gz CCYIVAHOTZIWLB-HXUWFJFHSA-N 1 1 328.456 4.753 50 0 EJAAMO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000021720850 212243564 /nfs/dbraw/zinc/24/35/64/212243564.db2.gz QRYKKLRFTPFZAX-HNNXBMFYSA-N 1 1 349.272 4.645 50 0 EJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1 ZINC000021720850 212243566 /nfs/dbraw/zinc/24/35/66/212243566.db2.gz QRYKKLRFTPFZAX-HNNXBMFYSA-N 1 1 349.272 4.645 50 0 EJAAMO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nnc(C)s1 ZINC000242273597 243015309 /nfs/dbraw/zinc/01/53/09/243015309.db2.gz YEGCRZSMWKBBTC-CZUORRHYSA-N 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/nfs/dbraw/zinc/10/95/84/564109584.db2.gz IKWFCBKBLYVBDN-SFHVURJKSA-N 1 1 335.382 4.785 50 0 EJAAMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606859 564109601 /nfs/dbraw/zinc/10/96/01/564109601.db2.gz RDXJWDYYYVGSKU-OPAMFIHVSA-N 1 1 347.437 4.866 50 0 EJAAMO Fc1ccc2oc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2c1 ZINC000170606899 564109626 /nfs/dbraw/zinc/10/96/26/564109626.db2.gz IKWFCBKBLYVBDN-GOSISDBHSA-N 1 1 335.382 4.785 50 0 EJAAMO Fc1ccc2oc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2c1 ZINC000170606899 564109627 /nfs/dbraw/zinc/10/96/27/564109627.db2.gz IKWFCBKBLYVBDN-GOSISDBHSA-N 1 1 335.382 4.785 50 0 EJAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252077333 564116428 /nfs/dbraw/zinc/11/64/28/564116428.db2.gz DFNQUPKLYPIEHV-BBRMVZONSA-N 1 1 325.437 4.696 50 0 EJAAMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252077333 564116429 /nfs/dbraw/zinc/11/64/29/564116429.db2.gz DFNQUPKLYPIEHV-BBRMVZONSA-N 1 1 325.437 4.696 50 0 EJAAMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000170665576 564121283 /nfs/dbraw/zinc/12/12/83/564121283.db2.gz LIFQUFSHGXTAMR-RULNRJAQSA-N 1 1 338.238 4.589 50 0 EJAAMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000170665576 564121284 /nfs/dbraw/zinc/12/12/84/564121284.db2.gz LIFQUFSHGXTAMR-RULNRJAQSA-N 1 1 338.238 4.589 50 0 EJAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000007654080 564121570 /nfs/dbraw/zinc/12/15/70/564121570.db2.gz FTLSGFLBFISHGF-LVCYWYKZSA-N 1 1 336.479 4.653 50 0 EJAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007789340 564123297 /nfs/dbraw/zinc/12/32/97/564123297.db2.gz ZRRICFKWJMVWTR-CQSZACIVSA-N 1 1 336.410 4.543 50 0 EJAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007789340 564123298 /nfs/dbraw/zinc/12/32/98/564123298.db2.gz ZRRICFKWJMVWTR-CQSZACIVSA-N 1 1 336.410 4.543 50 0 EJAAMO C[C@H]([NH2+]CCCN(C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000002126655 564125017 /nfs/dbraw/zinc/12/50/17/564125017.db2.gz PZEUCIVVVWVHAI-INIZCTEOSA-N 1 1 330.560 4.810 50 0 biogenic EJAAMO C[C@H](NCCC[NH+](C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000002126655 564125018 /nfs/dbraw/zinc/12/50/18/564125018.db2.gz PZEUCIVVVWVHAI-INIZCTEOSA-N 1 1 330.560 4.810 50 0 biogenic EJAAMO CC(=O)Nc1ccccc1C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000093821648 564138000 /nfs/dbraw/zinc/13/80/00/564138000.db2.gz POSHHECVKPFIQJ-AWEZNQCLSA-N 1 1 345.512 4.726 50 0 EJAAMO CCCCCc1ccc([C@@H](CC)[NH2+][C@H](C)c2nnc3n2CCC3)cc1 ZINC000095940745 564141989 /nfs/dbraw/zinc/14/19/89/564141989.db2.gz GNKRTYNTCIBSJZ-VQIMIIECSA-N 1 1 340.515 4.759 50 0 EJAAMO Clc1cccc2c1CC[C@@H]2[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000095956252 564142546 /nfs/dbraw/zinc/14/25/46/564142546.db2.gz ILHVBHZLUTUPPP-INIZCTEOSA-N 1 1 341.867 4.636 50 0 EJAAMO CC(C)OCCC[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000095961356 564142760 /nfs/dbraw/zinc/14/27/60/564142760.db2.gz HHMZRZFLBGNWBL-SFHVURJKSA-N 1 1 343.515 4.612 50 0 EJAAMO CC1CC[NH+]([C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000058012684 564157177 /nfs/dbraw/zinc/15/71/77/564157177.db2.gz JSSDUTBKRSCJAU-LJQANCHMSA-N 1 1 348.918 4.562 50 0 EJAAMO CCCCc1ccc2[nH]c(C)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717217 564166715 /nfs/dbraw/zinc/16/67/15/564166715.db2.gz CJSVSYJFVMRQGC-OAHLLOKOSA-N 1 1 326.484 4.823 50 0 EJAAMO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@@H+](C)Cc1ccccc1 ZINC000008717151 564166718 /nfs/dbraw/zinc/16/67/18/564166718.db2.gz JDAJGBCUPYUTTE-UHFFFAOYSA-N 1 1 340.854 4.843 50 0 EJAAMO COc1cccc([C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000072309101 568415173 /nfs/dbraw/zinc/41/51/73/568415173.db2.gz ZUJHOXBTSAZDJK-WBVHZDCISA-N 1 1 336.435 4.777 50 0 EJAAMO c1ccc(COc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000004741725 210266281 /nfs/dbraw/zinc/26/62/81/210266281.db2.gz NJPXZBKSMYTHRA-UHFFFAOYSA-N 1 1 329.403 4.754 50 0 EJAAMO COCC[N@@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1ccc(C)cc1 ZINC000055166509 214281263 /nfs/dbraw/zinc/28/12/63/214281263.db2.gz IWJMUOXEGGSOQO-LJQANCHMSA-N 1 1 345.508 4.557 50 0 EJAAMO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)cc(Cl)c1OCC ZINC000055393386 214316919 /nfs/dbraw/zinc/31/69/19/214316919.db2.gz WGLOZRXPLGZCCD-AWEZNQCLSA-N 1 1 348.874 4.725 50 0 EJAAMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc(Cl)c1OCC ZINC000055393386 214316922 /nfs/dbraw/zinc/31/69/22/214316922.db2.gz WGLOZRXPLGZCCD-AWEZNQCLSA-N 1 1 348.874 4.725 50 0 EJAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320457 201745140 /nfs/dbraw/zinc/74/51/40/201745140.db2.gz VEEGRTUBLRXOQL-QGZVFWFLSA-N 1 1 342.508 4.649 50 0 EJAAMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320457 201745143 /nfs/dbraw/zinc/74/51/43/201745143.db2.gz VEEGRTUBLRXOQL-QGZVFWFLSA-N 1 1 342.508 4.649 50 0 EJAAMO Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2ccnc(-c3cccnc3)c2)C1 ZINC000065407497 214898578 /nfs/dbraw/zinc/89/85/78/214898578.db2.gz AUVHVPSRGIEXGK-FQEVSTJZSA-N 1 1 347.437 4.581 50 0 EJAAMO Cc1[nH]c2ccccc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000004123461 210126454 /nfs/dbraw/zinc/12/64/54/210126454.db2.gz OJJVDGXAVUMNAV-NRFANRHFSA-N 1 1 328.419 4.776 50 0 EJAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000003583703 210059613 /nfs/dbraw/zinc/05/96/13/210059613.db2.gz WTMAWVDVNDTYRK-INIZCTEOSA-N 1 1 340.492 4.651 50 0 EJAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000003583703 210059617 /nfs/dbraw/zinc/05/96/17/210059617.db2.gz WTMAWVDVNDTYRK-INIZCTEOSA-N 1 1 340.492 4.651 50 0 EJAAMO C[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCCCC1 ZINC000003430021 210037826 /nfs/dbraw/zinc/03/78/26/210037826.db2.gz ZZXRTLMRIDVVMU-UHFFFAOYSA-N 1 1 349.689 4.850 50 0 EJAAMO Cc1[nH+]ccn1Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000067757704 215206278 /nfs/dbraw/zinc/20/62/78/215206278.db2.gz GBAJDRLVDNNHCF-UHFFFAOYSA-N 1 1 345.402 4.996 50 0 EJAAMO C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000040487733 213316566 /nfs/dbraw/zinc/31/65/66/213316566.db2.gz KHQWMNSBAJNSSJ-LBPRGKRZSA-N 1 1 329.856 4.709 50 0 EJAAMO Cn1c2ccccc2n(C[NH+]2CCC(c3ccccc3)CC2)c1=S ZINC000019952736 202027921 /nfs/dbraw/zinc/02/79/21/202027921.db2.gz FFUGYXQWSVVNBD-UHFFFAOYSA-N 1 1 337.492 4.546 50 0 EJAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2)no1 ZINC000021720214 202069568 /nfs/dbraw/zinc/06/95/68/202069568.db2.gz PZJCGRMOYKZLNB-QFIPXVFZSA-N 1 1 348.446 4.899 50 0 EJAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2)no1 ZINC000021720214 202069572 /nfs/dbraw/zinc/06/95/72/202069572.db2.gz PZJCGRMOYKZLNB-QFIPXVFZSA-N 1 1 348.446 4.899 50 0 EJAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2)no1 ZINC000021720216 202070122 /nfs/dbraw/zinc/07/01/22/202070122.db2.gz PZJCGRMOYKZLNB-JOCHJYFZSA-N 1 1 348.446 4.899 50 0 EJAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2)no1 ZINC000021720216 202070126 /nfs/dbraw/zinc/07/01/26/202070126.db2.gz PZJCGRMOYKZLNB-JOCHJYFZSA-N 1 1 348.446 4.899 50 0 EJAAMO CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036098993 213065662 /nfs/dbraw/zinc/06/56/62/213065662.db2.gz OPZMCQRUYZSBLY-OAQYLSRUSA-N 1 1 329.459 4.606 50 0 EJAAMO COc1ccc(C[N@@H+](Cc2cc(F)cc3cccnc32)C2CC2)cc1 ZINC000032825213 202236326 /nfs/dbraw/zinc/23/63/26/202236326.db2.gz FGIPNOMUVOJXCC-UHFFFAOYSA-N 1 1 336.410 4.547 50 0 EJAAMO Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)on2)cc1 ZINC000072171422 216062141 /nfs/dbraw/zinc/06/21/41/216062141.db2.gz LEMVLTFKPZSYJH-OAQYLSRUSA-N 1 1 333.435 4.772 50 0 EJAAMO Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3c3ccccn3)on2)cc1 ZINC000072171422 216062144 /nfs/dbraw/zinc/06/21/44/216062144.db2.gz LEMVLTFKPZSYJH-OAQYLSRUSA-N 1 1 333.435 4.772 50 0 EJAAMO Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3c3ccccn3)on2)cc1 ZINC000072171423 216062267 /nfs/dbraw/zinc/06/22/67/216062267.db2.gz LEMVLTFKPZSYJH-NRFANRHFSA-N 1 1 333.435 4.772 50 0 EJAAMO Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3c3ccccn3)on2)cc1 ZINC000072171423 216062268 /nfs/dbraw/zinc/06/22/68/216062268.db2.gz LEMVLTFKPZSYJH-NRFANRHFSA-N 1 1 333.435 4.772 50 0 EJAAMO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)ccc1OC(C)C ZINC000035511218 202306053 /nfs/dbraw/zinc/30/60/53/202306053.db2.gz LRRFLKNJSZNXFT-KRWDZBQOSA-N 1 1 344.455 4.506 50 0 EJAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)ccc1OC(C)C ZINC000035511218 202306057 /nfs/dbraw/zinc/30/60/57/202306057.db2.gz LRRFLKNJSZNXFT-KRWDZBQOSA-N 1 1 344.455 4.506 50 0 EJAAMO Fc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1F ZINC000036348654 202321802 /nfs/dbraw/zinc/32/18/02/202321802.db2.gz QBRHLXBNQNGUEQ-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000036348654 202321806 /nfs/dbraw/zinc/32/18/06/202321806.db2.gz QBRHLXBNQNGUEQ-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000022197560 212281379 /nfs/dbraw/zinc/28/13/79/212281379.db2.gz REBGJNICRNGQDK-UHFFFAOYSA-N 1 1 329.271 4.587 50 0 EJAAMO C[N@@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cccc2cnccc21 ZINC000215530435 241130952 /nfs/dbraw/zinc/13/09/52/241130952.db2.gz SPHCLFYQFHUQPG-HXUWFJFHSA-N 1 1 336.435 4.701 50 0 EJAAMO CCCCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021720313 212244587 /nfs/dbraw/zinc/24/45/87/212244587.db2.gz OYCAJFUOQZHAEY-LJQANCHMSA-N 1 1 328.456 4.807 50 0 EJAAMO COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000229382070 242159212 /nfs/dbraw/zinc/15/92/12/242159212.db2.gz ZUJHOXBTSAZDJK-NVXWUHKLSA-N 1 1 336.435 4.777 50 0 EJAAMO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000242273595 243014203 /nfs/dbraw/zinc/01/42/03/243014203.db2.gz YEGCRZSMWKBBTC-BBRMVZONSA-N 1 1 343.521 4.851 50 0 EJAAMO Cc1c(C)n(-c2cccnc2)c2[nH+]c(-c3ccccc3)c(C)c(N)c12 ZINC000020714181 212162651 /nfs/dbraw/zinc/16/26/51/212162651.db2.gz PEQPXFSFQVDKHB-UHFFFAOYSA-N 1 1 328.419 4.595 50 0 EJAAMO FC(F)(F)c1cccc(CC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000071746816 203104785 /nfs/dbraw/zinc/10/47/85/203104785.db2.gz GPLUJSANTXLWRY-QGZVFWFLSA-N 1 1 348.412 4.945 50 0 EJAAMO c1ccc(C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019359485 212021177 /nfs/dbraw/zinc/02/11/77/212021177.db2.gz KUAJKNGLESWEFE-UHFFFAOYSA-N 1 1 342.486 4.594 50 0 EJAAMO O=C(Nc1cccc(C[NH2+]Cc2cccc(Cl)c2Cl)c1)C1CC1 ZINC000048332672 204346565 /nfs/dbraw/zinc/34/65/65/204346565.db2.gz XIJYUMHKZZNNNZ-UHFFFAOYSA-N 1 1 349.261 4.632 50 0 EJAAMO c1cn2c(C[N@H+]3CCc4ccccc4C3)c(-c3ccccc3)nc2s1 ZINC000012485707 211392892 /nfs/dbraw/zinc/39/28/92/211392892.db2.gz ITUPFJYWYINUDQ-UHFFFAOYSA-N 1 1 345.471 4.621 50 0 EJAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000012439395 211381206 /nfs/dbraw/zinc/38/12/06/211381206.db2.gz MHTKVKXIRZZGTA-IBGZPJMESA-N 1 1 345.442 4.626 50 0 EJAAMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccoc2)oc1C ZINC000012385987 211364387 /nfs/dbraw/zinc/36/43/87/211364387.db2.gz RUKWJBOGWZUHSC-GOSISDBHSA-N 1 1 338.407 4.589 50 0 EJAAMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)oc1C ZINC000012385987 211364390 /nfs/dbraw/zinc/36/43/90/211364390.db2.gz RUKWJBOGWZUHSC-GOSISDBHSA-N 1 1 338.407 4.589 50 0 EJAAMO CC(C)(C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000012098151 211291639 /nfs/dbraw/zinc/29/16/39/211291639.db2.gz XJXPPIYWHBZEGX-ZDUSSCGKSA-N 1 1 333.426 4.580 50 0 EJAAMO Cc1c(C)n(C2CCCCC2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000008993682 211030058 /nfs/dbraw/zinc/03/00/58/211030058.db2.gz SIMJMNAQNOJMDN-UHFFFAOYSA-N 1 1 335.455 4.560 50 0 EJAAMO COc1cc2c(cc1OC)C[N@H+](C1CCC(C(C)(C)C)CC1)CC2 ZINC000004989239 210351433 /nfs/dbraw/zinc/35/14/33/210351433.db2.gz RBCLLSOCIVWIDF-UHFFFAOYSA-N 1 1 331.500 4.667 50 0 EJAAMO CCN1CCC([NH2+]Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000057681659 258061739 /nfs/dbraw/zinc/06/17/39/258061739.db2.gz VGWIILDNAVFSML-UHFFFAOYSA-N 1 1 344.886 4.706 50 0 EJAAMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)o2)cc1 ZINC000230145371 536495114 /nfs/dbraw/zinc/49/51/14/536495114.db2.gz HULCOLKOTPWQNK-CRAIPNDOSA-N 1 1 326.440 4.505 50 0 EJAAMO COc1cccc(CNc2ccc([NH+]3CCC(C)CC3)cc2)c1OC ZINC000000360204 563293341 /nfs/dbraw/zinc/29/33/41/563293341.db2.gz MATSUFORSCSJSR-UHFFFAOYSA-N 1 1 340.467 4.552 50 0 EJAAMO O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1C[NH+]1CC=CC1 ZINC000002515914 563437073 /nfs/dbraw/zinc/43/70/73/563437073.db2.gz FLGJWIRUEYCRHZ-UHFFFAOYSA-N 1 1 332.230 4.596 50 0 EJAAMO O=C(CC[N@H+]1CC[C@@H](c2ccccc2)C1)c1cccc2ccccc21 ZINC000004122112 563495171 /nfs/dbraw/zinc/49/51/71/563495171.db2.gz NYFQBCCASKQTBR-HXUWFJFHSA-N 1 1 329.443 4.902 50 0 EJAAMO Clc1ccc(OCc2ccccc2)c(C[NH2+]Cc2ccccn2)c1 ZINC000006672088 563577821 /nfs/dbraw/zinc/57/78/21/563577821.db2.gz VBAZCHPEWYPTAJ-UHFFFAOYSA-N 1 1 338.838 4.604 50 0 EJAAMO Brc1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)cc1 ZINC000007524952 563604744 /nfs/dbraw/zinc/60/47/44/563604744.db2.gz QUDUZWGHBBIKRM-UHFFFAOYSA-N 1 1 332.197 4.592 50 0 EJAAMO Cn1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)c(-c2ccccc2F)n1 ZINC000012704669 563667877 /nfs/dbraw/zinc/66/78/77/563667877.db2.gz NHEXBJLFVKLLPR-UHFFFAOYSA-N 1 1 347.437 4.516 50 0 EJAAMO CSC1=[NH+]C(C)(C)C=C(C=Cc2ccc(Cl)cc2Cl)N1 ZINC000013125368 563689145 /nfs/dbraw/zinc/68/91/45/563689145.db2.gz UKETVPRKGSRQLQ-FNORWQNLSA-N 1 1 327.280 4.991 50 0 EJAAMO COCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000014980263 563770097 /nfs/dbraw/zinc/77/00/97/563770097.db2.gz MOVVIBMPDJGUDW-KRWDZBQOSA-N 1 1 348.874 4.694 50 0 EJAAMO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000014989298 563770491 /nfs/dbraw/zinc/77/04/91/563770491.db2.gz VRDVNYDDFBXMFB-FUHWJXTLSA-N 1 1 339.458 4.752 50 0 EJAAMO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC000015000826 563770893 /nfs/dbraw/zinc/77/08/93/563770893.db2.gz DQJXOESVADDRJG-OAHLLOKOSA-N 1 1 341.842 4.703 50 0 EJAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000015070300 563776052 /nfs/dbraw/zinc/77/60/52/563776052.db2.gz DZWWIQPQFQEWFE-LJQANCHMSA-N 1 1 349.453 4.904 50 0 EJAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000015070302 563776101 /nfs/dbraw/zinc/77/61/01/563776101.db2.gz DZWWIQPQFQEWFE-IBGZPJMESA-N 1 1 349.453 4.904 50 0 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4.534 50 0 EJAAMO COc1cccc([C@@H](C)[N@H+](C)Cc2nc(-c3cccs3)oc2C)c1 ZINC000012713956 563668698 /nfs/dbraw/zinc/66/86/98/563668698.db2.gz WSVGXQMJHFXMOB-CYBMUJFWSA-N 1 1 342.464 4.913 50 0 EJAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2nc(-c3cccs3)oc2C)c1 ZINC000012713956 563668699 /nfs/dbraw/zinc/66/86/99/563668699.db2.gz WSVGXQMJHFXMOB-CYBMUJFWSA-N 1 1 342.464 4.913 50 0 EJAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000032754491 563728023 /nfs/dbraw/zinc/72/80/23/563728023.db2.gz HSZGUGRXXCFFGY-MRXNPFEDSA-N 1 1 331.419 4.812 50 0 EJAAMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000032843160 563761371 /nfs/dbraw/zinc/76/13/71/563761371.db2.gz VPAVAVINIUKVBX-ZDUSSCGKSA-N 1 1 345.443 4.563 50 0 EJAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000014980265 563769936 /nfs/dbraw/zinc/76/99/36/563769936.db2.gz MOVVIBMPDJGUDW-QGZVFWFLSA-N 1 1 348.874 4.694 50 0 EJAAMO Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2cccs2)o1 ZINC000015301429 563781435 /nfs/dbraw/zinc/78/14/35/563781435.db2.gz PUDNVISDPPVMSF-AWEZNQCLSA-N 1 1 345.855 4.789 50 0 EJAAMO Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2c2cccs2)o1 ZINC000015301429 563781441 /nfs/dbraw/zinc/78/14/41/563781441.db2.gz PUDNVISDPPVMSF-AWEZNQCLSA-N 1 1 345.855 4.789 50 0 EJAAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866882 563797885 /nfs/dbraw/zinc/79/78/85/563797885.db2.gz OSMKLDIBKPKJNF-QGZVFWFLSA-N 1 1 338.373 4.983 50 0 EJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866882 563797887 /nfs/dbraw/zinc/79/78/87/563797887.db2.gz OSMKLDIBKPKJNF-QGZVFWFLSA-N 1 1 338.373 4.983 50 0 EJAAMO CCC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000033018781 563914770 /nfs/dbraw/zinc/91/47/70/563914770.db2.gz WDBMBRDJRHJDKI-UHFFFAOYSA-N 1 1 335.447 4.822 50 0 EJAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2sccc2C)cc1O ZINC000033087150 563915019 /nfs/dbraw/zinc/91/50/19/563915019.db2.gz ZPDAINITPUUDCR-MRXNPFEDSA-N 1 1 331.481 4.888 50 0 EJAAMO CCOc1cc(C[N@H+]2CCCCC[C@@H]2c2cccs2)ccc1O ZINC000033087314 563915076 /nfs/dbraw/zinc/91/50/76/563915076.db2.gz DHXSCCNSCZVFHJ-MRXNPFEDSA-N 1 1 331.481 4.970 50 0 EJAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3cccc(F)c3)c2cc1Cl ZINC000058167032 563938741 /nfs/dbraw/zinc/93/87/41/563938741.db2.gz XBQMEHOVUVWBSY-UHFFFAOYSA-N 1 1 345.801 4.526 50 0 EJAAMO C[C@H](c1cccs1)[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000058174605 563938985 /nfs/dbraw/zinc/93/89/85/563938985.db2.gz ZVKXFFIYSXIBNL-SNVBAGLBSA-N 1 1 340.279 4.896 50 0 EJAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000058174605 563938986 /nfs/dbraw/zinc/93/89/86/563938986.db2.gz ZVKXFFIYSXIBNL-SNVBAGLBSA-N 1 1 340.279 4.896 50 0 EJAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000058434118 563946389 /nfs/dbraw/zinc/94/63/89/563946389.db2.gz NZLJTRJNWRYOBR-IBGZPJMESA-N 1 1 348.446 4.557 50 0 EJAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2Br)on1 ZINC000064984444 563957489 /nfs/dbraw/zinc/95/74/89/563957489.db2.gz SRESVXJNNDPOLP-INIZCTEOSA-N 1 1 349.272 4.898 50 0 EJAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccccc2Br)on1 ZINC000064984444 563957491 /nfs/dbraw/zinc/95/74/91/563957491.db2.gz SRESVXJNNDPOLP-INIZCTEOSA-N 1 1 349.272 4.898 50 0 EJAAMO Cc1cc(Cl)cc(Cl)c1OCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247609 563976217 /nfs/dbraw/zinc/97/62/17/563976217.db2.gz IHHCNZDGHQJZAX-OKILXGFUSA-N 1 1 346.298 4.570 50 0 EJAAMO c1cn(CC2CCC2)c([C@H]2CCCN(c3ccc4ccccc4n3)C2)[nH+]1 ZINC000095379257 563976886 /nfs/dbraw/zinc/97/68/86/563976886.db2.gz QJBBEGKBWRXUHO-IBGZPJMESA-N 1 1 346.478 4.615 50 0 EJAAMO Cc1nc2ccccc2n1CCCCC[N@H+](C)C(C1CC1)C1CC1 ZINC000408516946 563992881 /nfs/dbraw/zinc/99/28/81/563992881.db2.gz QSKOLKAFVSKFMH-UHFFFAOYSA-N 1 1 325.500 4.635 50 0 EJAAMO CCO[C@@H](C)c1nc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cs1 ZINC000076717140 563998013 /nfs/dbraw/zinc/99/80/13/563998013.db2.gz KSNFAIRXIJOLSV-SUMWQHHRSA-N 1 1 336.476 4.867 50 0 EJAAMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)co2)cc1 ZINC000048261338 564030294 /nfs/dbraw/zinc/03/02/94/564030294.db2.gz HRKLLYNARTXRAF-LJQANCHMSA-N 1 1 340.373 4.957 50 0 EJAAMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)co2)cc1 ZINC000048261338 564030295 /nfs/dbraw/zinc/03/02/95/564030295.db2.gz HRKLLYNARTXRAF-LJQANCHMSA-N 1 1 340.373 4.957 50 0 EJAAMO CC(C)C[C@H]([NH3+])c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000001263610 564062805 /nfs/dbraw/zinc/06/28/05/564062805.db2.gz CEEIYBLGAPYOQV-LBPRGKRZSA-N 1 1 346.283 4.715 50 0 EJAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c(C)c1 ZINC000012910303 564077910 /nfs/dbraw/zinc/07/79/10/564077910.db2.gz GIKBZVGTBMZLFG-GOSISDBHSA-N 1 1 346.474 4.916 50 0 EJAAMO C[C@H]1CCCC[N@H+]1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000016047205 564079442 /nfs/dbraw/zinc/07/94/42/564079442.db2.gz QPCFTGNGVCQFQN-YCRPNKLZSA-N 1 1 341.426 4.808 50 0 EJAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000252427612 564089351 /nfs/dbraw/zinc/08/93/51/564089351.db2.gz VHWZMUZKFCGALN-PMACEKPBSA-N 1 1 332.919 4.569 50 0 EJAAMO CCC[N@@H+]1CCn2c3ccc(Br)cc3c3c2[C@H]1CCC3 ZINC000000448437 564090541 /nfs/dbraw/zinc/09/05/41/564090541.db2.gz IRNXDKZUAGPSIT-MRXNPFEDSA-N 1 1 333.273 4.507 50 0 biogenic EJAAMO CCC[N@H+]1CCn2c3ccc(Br)cc3c3c2[C@H]1CCC3 ZINC000000448437 564090542 /nfs/dbraw/zinc/09/05/42/564090542.db2.gz IRNXDKZUAGPSIT-MRXNPFEDSA-N 1 1 333.273 4.507 50 0 biogenic EJAAMO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3ccccc3Cl)c2cc1C ZINC000006625476 564094673 /nfs/dbraw/zinc/09/46/73/564094673.db2.gz YHNGYYODWMJMTB-UHFFFAOYSA-N 1 1 341.838 4.695 50 0 EJAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3ccccc3Cl)c2cc1C ZINC000006625476 564094674 /nfs/dbraw/zinc/09/46/74/564094674.db2.gz YHNGYYODWMJMTB-UHFFFAOYSA-N 1 1 341.838 4.695 50 0 EJAAMO CN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000006871448 564100196 /nfs/dbraw/zinc/10/01/96/564100196.db2.gz LCFFPWNDXBXFJK-UHFFFAOYSA-N 1 1 348.837 4.807 50 0 EJAAMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000170601620 564109336 /nfs/dbraw/zinc/10/93/36/564109336.db2.gz ZTABQPHCXYVLSJ-IFXJQAMLSA-N 1 1 340.854 4.594 50 0 EJAAMO c1ccc(C[N@H+]2CC[C@@H]([C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000101359244 564129509 /nfs/dbraw/zinc/12/95/09/564129509.db2.gz BLHARDLNGUCJNB-GGAORHGYSA-N 1 1 328.459 4.736 50 0 EJAAMO c1nc(C2CCC2)sc1C[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000253418661 564130896 /nfs/dbraw/zinc/13/08/96/564130896.db2.gz XSWXUSGPEVMMAD-LJQANCHMSA-N 1 1 335.476 4.685 50 0 EJAAMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 ZINC000095964882 564142908 /nfs/dbraw/zinc/14/29/08/564142908.db2.gz JCDNLUAWUKKVEU-GJZGRUSLSA-N 1 1 330.422 4.977 50 0 EJAAMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)Cc1cccc2ccccc21 ZINC000096027611 564145026 /nfs/dbraw/zinc/14/50/26/564145026.db2.gz ZALLAOGWOZOXPR-JOCHJYFZSA-N 1 1 333.475 4.654 50 0 EJAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000057293362 564153469 /nfs/dbraw/zinc/15/34/69/564153469.db2.gz BTVBIDFWUVAWBZ-DGCLKSJQSA-N 1 1 342.389 4.677 50 0 EJAAMO CC(C)c1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000008126573 564162845 /nfs/dbraw/zinc/16/28/45/564162845.db2.gz QDWOPAICAFGVPC-NRFANRHFSA-N 1 1 336.479 4.758 50 0 EJAAMO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc2ccccc2c1 ZINC000008127365 564162915 /nfs/dbraw/zinc/16/29/15/564162915.db2.gz DTEBLWMSMLPJMA-UHFFFAOYSA-N 1 1 338.838 4.564 50 0 EJAAMO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc2ccccc2c1 ZINC000008127365 564162916 /nfs/dbraw/zinc/16/29/16/564162916.db2.gz DTEBLWMSMLPJMA-UHFFFAOYSA-N 1 1 338.838 4.564 50 0 EJAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320217 564164308 /nfs/dbraw/zinc/16/43/08/564164308.db2.gz BGOONDJWFCOMKF-SWLSCSKDSA-N 1 1 334.872 4.566 50 0 EJAAMO COc1ccc(Cl)c2c(=O)c(C[N@@H+](C)C3CCCCC3)c(C)[nH]c12 ZINC000008717401 564166791 /nfs/dbraw/zinc/16/67/91/564166791.db2.gz KJGYSKIHYOLBLR-UHFFFAOYSA-N 1 1 348.874 4.675 50 0 EJAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717494 564166799 /nfs/dbraw/zinc/16/67/99/564166799.db2.gz IITLNJDSQUOJME-UHFFFAOYSA-N 1 1 330.472 4.516 50 0 EJAAMO COc1ccc(-c2cc(C[N@@H+]3CC=C(c4ccccc4)CC3)on2)cc1 ZINC000008853072 564167492 /nfs/dbraw/zinc/16/74/92/564167492.db2.gz LYYVOWQNOWCNDZ-UHFFFAOYSA-N 1 1 346.430 4.640 50 0 EJAAMO O=C1CC[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000024716676 564177373 /nfs/dbraw/zinc/17/73/73/564177373.db2.gz TTWLMWSWSQUXDB-UHFFFAOYSA-N 1 1 341.454 4.643 50 0 EJAAMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000539818841 564177684 /nfs/dbraw/zinc/17/76/84/564177684.db2.gz BKAZWKKKKCYERE-MRXNPFEDSA-N 1 1 330.497 4.655 50 0 EJAAMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000004745640 210266792 /nfs/dbraw/zinc/26/67/92/210266792.db2.gz UWISHQIHEOOXAU-UHFFFAOYSA-N 1 1 347.506 4.654 50 0 EJAAMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccc2ccccc21 ZINC000058357684 214561511 /nfs/dbraw/zinc/56/15/11/214561511.db2.gz BSUQVSIVLLETKJ-UHFFFAOYSA-N 1 1 327.431 4.658 50 0 EJAAMO O=C(CCCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000004122132 210126259 /nfs/dbraw/zinc/12/62/59/210126259.db2.gz RBURCGBYRAOMLD-LJQANCHMSA-N 1 1 325.427 4.668 50 0 EJAAMO Cc1ccc2[nH]c(C[NH2+]Cc3scnc3-c3ccccc3)nc2c1C ZINC000067741887 215200046 /nfs/dbraw/zinc/20/00/46/215200046.db2.gz QGYACGDEAIYCPO-UHFFFAOYSA-N 1 1 348.475 4.593 50 0 EJAAMO Cc1ccc2[nH]cc(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000002451709 209851443 /nfs/dbraw/zinc/85/14/43/209851443.db2.gz IQFHYBOQTPJBEM-UHFFFAOYSA-N 1 1 346.474 4.614 50 0 EJAAMO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1 ZINC000021720856 202069101 /nfs/dbraw/zinc/06/91/01/202069101.db2.gz WRQJMRNWXNCOGY-OAHLLOKOSA-N 1 1 349.272 4.645 50 0 EJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(Br)c1 ZINC000021720856 202069104 /nfs/dbraw/zinc/06/91/04/202069104.db2.gz WRQJMRNWXNCOGY-OAHLLOKOSA-N 1 1 349.272 4.645 50 0 EJAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NC1CC1 ZINC000021797971 202070654 /nfs/dbraw/zinc/07/06/54/202070654.db2.gz VUBKLJCBXKKVQH-UHFFFAOYSA-N 1 1 340.430 4.970 50 0 EJAAMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029483239 202187605 /nfs/dbraw/zinc/18/76/05/202187605.db2.gz LAJFWEOTBROKHK-MRXNPFEDSA-N 1 1 349.261 4.551 50 0 EJAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(C)cc1 ZINC000036347248 213086314 /nfs/dbraw/zinc/08/63/14/213086314.db2.gz HJYSYLDJMUEIGQ-HSZRJFAPSA-N 1 1 346.474 4.800 50 0 EJAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000036347633 213085884 /nfs/dbraw/zinc/08/58/84/213085884.db2.gz CJTSGMCFXDGPMI-JOCHJYFZSA-N 1 1 334.438 4.931 50 0 EJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000033087197 202249207 /nfs/dbraw/zinc/24/92/07/202249207.db2.gz CSCQVXKAXQTZLX-FQEVSTJZSA-N 1 1 343.442 4.960 50 0 EJAAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)c1OC ZINC000033087265 202249249 /nfs/dbraw/zinc/24/92/49/202249249.db2.gz QMMIBYHLGODFQZ-IBGZPJMESA-N 1 1 343.442 4.960 50 0 EJAAMO Cc1nc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cs1 ZINC000072143436 216029689 /nfs/dbraw/zinc/02/96/89/216029689.db2.gz DWOGNRKSOKSTJP-AWEZNQCLSA-N 1 1 336.451 4.575 50 0 EJAAMO Cc1nc(C[N@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cs1 ZINC000072143436 216029690 /nfs/dbraw/zinc/02/96/90/216029690.db2.gz DWOGNRKSOKSTJP-AWEZNQCLSA-N 1 1 336.451 4.575 50 0 EJAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)c1 ZINC000036347847 202321583 /nfs/dbraw/zinc/32/15/83/202321583.db2.gz FWONTTWTTGBZJY-QFIPXVFZSA-N 1 1 334.438 4.931 50 0 EJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000036347243 202321714 /nfs/dbraw/zinc/32/17/14/202321714.db2.gz CBPXPKGDNUQOOJ-QHCPKHFHSA-N 1 1 346.474 4.800 50 0 EJAAMO c1ccc(C[C@H](c2ccccc2)[NH+]2CCN(C3CCCCC3)CC2)cc1 ZINC000022877093 212331584 /nfs/dbraw/zinc/33/15/84/212331584.db2.gz IGBRRSIHEGCUEN-XMMPIXPASA-N 1 1 348.534 4.921 50 0 in-vitro EJAAMO CC(=O)Nc1ccc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)cc1 ZINC000216449922 241192533 /nfs/dbraw/zinc/19/25/33/241192533.db2.gz ROZZFMXOZYNKGM-NRFANRHFSA-N 1 1 340.442 4.901 50 0 EJAAMO COc1c(F)cccc1C[N@H+]1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000216462617 241196175 /nfs/dbraw/zinc/19/61/75/241196175.db2.gz OMZOXTMKSWAMNR-GOSISDBHSA-N 1 1 343.442 4.527 50 0 EJAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CC2)cc1 ZINC000021797926 212249751 /nfs/dbraw/zinc/24/97/51/212249751.db2.gz FDGNUUNMNHBJKD-UHFFFAOYSA-N 1 1 344.393 4.801 50 0 EJAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCc2ccccc2C1 ZINC000020962623 212193234 /nfs/dbraw/zinc/19/32/34/212193234.db2.gz QYZYIHZSJPKCRT-ZDUSSCGKSA-N 1 1 339.826 4.509 50 0 EJAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCc2ccccc2C1 ZINC000020962623 212193237 /nfs/dbraw/zinc/19/32/37/212193237.db2.gz QYZYIHZSJPKCRT-ZDUSSCGKSA-N 1 1 339.826 4.509 50 0 EJAAMO Cc1ccc(C[N@H+](Cc2ccncc2)C[C@H]2CCOC(C)(C)C2)s1 ZINC000244874918 243095561 /nfs/dbraw/zinc/09/55/61/243095561.db2.gz XJOHMGRWZGXONG-SFHVURJKSA-N 1 1 344.524 4.659 50 0 EJAAMO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000071774985 203111982 /nfs/dbraw/zinc/11/19/82/203111982.db2.gz UDBHGHCHSNJGCM-KRWDZBQOSA-N 1 1 348.412 4.945 50 0 EJAAMO CCc1ccc(C[NH+]2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019842331 212075213 /nfs/dbraw/zinc/07/52/13/212075213.db2.gz TUBIVBDSUFUPIB-UHFFFAOYSA-N 1 1 344.502 4.720 50 0 EJAAMO C[C@H]1CCCC[N@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000110534767 220043272 /nfs/dbraw/zinc/04/32/72/220043272.db2.gz QPCFTGNGVCQFQN-BTYIYWSLSA-N 1 1 341.426 4.808 50 0 EJAAMO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccco2)cc1 ZINC000012003234 211279097 /nfs/dbraw/zinc/27/90/97/211279097.db2.gz JKVRAPCWLHSUQM-FQEVSTJZSA-N 1 1 349.478 4.930 50 0 EJAAMO Cc1c2cccc(Cl)c2[nH]c1C[N@H+]1CC[C@@](O)(C2CCC2)[C@H](C)C1 ZINC000091547032 218020850 /nfs/dbraw/zinc/02/08/50/218020850.db2.gz ZNVNRWXYQWKOIK-XCLFUZPHSA-N 1 1 346.902 4.503 50 0 EJAAMO COc1cc(C)c(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1OC ZINC000095356879 218290644 /nfs/dbraw/zinc/29/06/44/218290644.db2.gz FIGKCTXRBUGTOP-IBGZPJMESA-N 1 1 340.467 4.525 50 0 EJAAMO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000119183621 221261661 /nfs/dbraw/zinc/26/16/61/221261661.db2.gz IHOZGPTZRJMATD-CABCVRRESA-N 1 1 337.398 4.820 50 0 EJAAMO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2Br)cc1F ZINC000675075291 564113082 /nfs/dbraw/zinc/11/30/82/564113082.db2.gz KSIAQYSOXJYCSD-UHFFFAOYSA-N 1 1 342.639 4.840 50 0 EJAAMO Cc1ccc2[nH+]c(C)c3c(c2c1)O[C@@H]([C@](C)(Cl)Br)C3 ZINC000000436075 563313335 /nfs/dbraw/zinc/31/33/35/563313335.db2.gz XAIFIFDYGKGPIJ-HIFRSBDPSA-N 1 1 340.648 4.505 50 0 EJAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515418 563436584 /nfs/dbraw/zinc/43/65/84/563436584.db2.gz DPKLXXPVYTVVDX-UHFFFAOYSA-N 1 1 332.230 4.596 50 0 EJAAMO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OCC)c1 ZINC000002893955 563462426 /nfs/dbraw/zinc/46/24/26/563462426.db2.gz FIKDGJNCQIQKFT-UHFFFAOYSA-N 1 1 327.468 4.896 50 0 EJAAMO CCOC(=O)c1ccc(NC(=[NH2+])SCc2ccc(Cl)cc2)cc1 ZINC000004347962 563500825 /nfs/dbraw/zinc/50/08/25/563500825.db2.gz VEVXYPKYXFKGPD-UHFFFAOYSA-N 1 1 348.855 4.797 50 0 EJAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717360 563637334 /nfs/dbraw/zinc/63/73/34/563637334.db2.gz RTKLENVHERHMBT-UHFFFAOYSA-N 1 1 343.515 4.717 50 0 EJAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000012806661 563674424 /nfs/dbraw/zinc/67/44/24/563674424.db2.gz LOCSQFVTNWLUJX-GOSISDBHSA-N 1 1 346.474 4.916 50 0 EJAAMO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000013095326 563687676 /nfs/dbraw/zinc/68/76/76/563687676.db2.gz JLIBJAWSGDUEFV-ZDUSSCGKSA-N 1 1 348.899 4.521 50 0 EJAAMO CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000013095326 563687677 /nfs/dbraw/zinc/68/76/77/563687677.db2.gz JLIBJAWSGDUEFV-ZDUSSCGKSA-N 1 1 348.899 4.521 50 0 EJAAMO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1O ZINC000032735881 563722536 /nfs/dbraw/zinc/72/25/36/563722536.db2.gz LCZUREDHYLXBMX-UHFFFAOYSA-N 1 1 343.810 4.604 50 0 EJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014951017 563767465 /nfs/dbraw/zinc/76/74/65/563767465.db2.gz CEIGJLJPZNTIDK-HNNXBMFYSA-N 1 1 338.476 4.633 50 0 EJAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](CC(C)C)C2 ZINC000015004102 563771465 /nfs/dbraw/zinc/77/14/65/563771465.db2.gz MAOROZMHUHLHIU-UHFFFAOYSA-N 1 1 331.481 4.583 50 0 EJAAMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000015452708 563784577 /nfs/dbraw/zinc/78/45/77/563784577.db2.gz PBWZGCKMUODASB-BTYIYWSLSA-N 1 1 348.446 4.585 50 0 EJAAMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCc2ccccc21 ZINC000029483142 563906747 /nfs/dbraw/zinc/90/67/47/563906747.db2.gz GSAJXLASTZAOOU-MRXNPFEDSA-N 1 1 349.261 4.551 50 0 EJAAMO COc1ccc(OC)c(C[N@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087293 563915060 /nfs/dbraw/zinc/91/50/60/563915060.db2.gz DGSIVZKCOSKQEJ-KRWDZBQOSA-N 1 1 331.481 4.883 50 0 EJAAMO CCCC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000002498480 563918038 /nfs/dbraw/zinc/91/80/38/563918038.db2.gz VHWMXBWTEFLTJQ-UHFFFAOYSA-N 1 1 336.523 4.953 50 0 EJAAMO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000043041317 563925129 /nfs/dbraw/zinc/92/51/29/563925129.db2.gz MJANJNPOAFNFCI-SFHVURJKSA-N 1 1 335.426 4.595 50 0 EJAAMO Cc1cc(N[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1[NH+]1CCCC1 ZINC000057964459 563936090 /nfs/dbraw/zinc/93/60/90/563936090.db2.gz VQUKNCHZRNAISA-INIZCTEOSA-N 1 1 348.450 4.818 50 0 EJAAMO Cc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000058167026 563938735 /nfs/dbraw/zinc/93/87/35/563938735.db2.gz ZRMMSXNSQYOQIJ-UHFFFAOYSA-N 1 1 341.838 4.695 50 0 EJAAMO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000058296538 563941997 /nfs/dbraw/zinc/94/19/97/563941997.db2.gz XROXYMNMHRWABA-IBGZPJMESA-N 1 1 337.442 4.841 50 0 EJAAMO Cc1ccc([C@H](C)[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000059038182 563947636 /nfs/dbraw/zinc/94/76/36/563947636.db2.gz HATFCELUHLUFQL-AWEZNQCLSA-N 1 1 341.842 4.891 50 0 EJAAMO Cc1ccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000059038182 563947637 /nfs/dbraw/zinc/94/76/37/563947637.db2.gz HATFCELUHLUFQL-AWEZNQCLSA-N 1 1 341.842 4.891 50 0 EJAAMO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064984503 563957547 /nfs/dbraw/zinc/95/75/47/563957547.db2.gz RUKFMSZHDHMDLE-GOSISDBHSA-N 1 1 328.456 4.922 50 0 EJAAMO CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064984503 563957549 /nfs/dbraw/zinc/95/75/49/563957549.db2.gz RUKFMSZHDHMDLE-GOSISDBHSA-N 1 1 328.456 4.922 50 0 EJAAMO CC(C)(C)[C@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000136066111 563997567 /nfs/dbraw/zinc/99/75/67/563997567.db2.gz NUFMXUVBRHSLPS-IAGOWNOFSA-N 1 1 330.497 4.872 50 0 EJAAMO CCO[C@H](c1ccccc1)c1ccc2c(c1)C[N@@H+](C1CCC1)CCO2 ZINC000015005755 564000224 /nfs/dbraw/zinc/00/02/24/564000224.db2.gz FZODQJUXLSVGRQ-JOCHJYFZSA-N 1 1 337.463 4.559 50 0 EJAAMO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2Cl)C1 ZINC000005525686 564004953 /nfs/dbraw/zinc/00/49/53/564004953.db2.gz TZYCOGSJLNLMCK-JKSUJKDBSA-N 1 1 334.246 4.522 50 0 EJAAMO CCOc1cc2c(cc1C[N@H+]1CCC[C@H]1c1c(C)noc1C)CCC2 ZINC000215939412 564033704 /nfs/dbraw/zinc/03/37/04/564033704.db2.gz GKVZWNQEUKMUGC-IBGZPJMESA-N 1 1 340.467 4.516 50 0 EJAAMO C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)c1ccccn1 ZINC000026308685 564039559 /nfs/dbraw/zinc/03/95/59/564039559.db2.gz KIBKWXMWELFCRJ-CYBMUJFWSA-N 1 1 335.432 4.802 50 0 EJAAMO O=C(C[N@H+](Cc1ccccc1)C1CC1)Nc1c(Cl)cccc1Cl ZINC000025120125 564053315 /nfs/dbraw/zinc/05/33/15/564053315.db2.gz VJXLNCJRRNGOLX-UHFFFAOYSA-N 1 1 349.261 4.597 50 0 EJAAMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)Nc1c(Cl)cccc1Cl ZINC000025120125 564053316 /nfs/dbraw/zinc/05/33/16/564053316.db2.gz VJXLNCJRRNGOLX-UHFFFAOYSA-N 1 1 349.261 4.597 50 0 EJAAMO Fc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(F)cc3cccnc32)c1 ZINC000084372411 564067978 /nfs/dbraw/zinc/06/79/78/564067978.db2.gz WWLQFPMMNQGYPR-HXUWFJFHSA-N 1 1 338.401 4.720 50 0 EJAAMO Clc1cccc(-c2nc(C[N@H+]3CC[C@H](c4ccccc4)C3)co2)c1 ZINC000084525550 564068486 /nfs/dbraw/zinc/06/84/86/564068486.db2.gz JTKDDUAFOXBGTQ-KRWDZBQOSA-N 1 1 338.838 4.985 50 0 EJAAMO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1cccc3ccccc31)C2 ZINC000084656347 564069437 /nfs/dbraw/zinc/06/94/37/564069437.db2.gz MDQAABQLEKQAOY-INIZCTEOSA-N 1 1 344.458 4.918 50 0 EJAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000015836740 564076414 /nfs/dbraw/zinc/07/64/14/564076414.db2.gz IQVMMMAFPKFDFR-KRWDZBQOSA-N 1 1 331.843 4.781 50 0 EJAAMO Cc1ccc(C[N@H+](Cc2cc(=O)c3cc(C)ccc3[nH]2)CC(C)C)cc1 ZINC000015862309 564077008 /nfs/dbraw/zinc/07/70/08/564077008.db2.gz CWTRZZZDBOHEMY-UHFFFAOYSA-N 1 1 348.490 4.803 50 0 EJAAMO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862271 564077031 /nfs/dbraw/zinc/07/70/31/564077031.db2.gz QQKHIIQJMHHSBQ-UHFFFAOYSA-N 1 1 342.389 4.631 50 0 EJAAMO C[C@H](CC[N@H+]1CCN2CCC[C@H]2[C@@H]1C1CCCCC1)c1ccccc1 ZINC000239306250 564088050 /nfs/dbraw/zinc/08/80/50/564088050.db2.gz GPUZEMUACDCDIM-OIBXWCBGSA-N 1 1 340.555 4.909 50 0 EJAAMO C[C@H](CCN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1)c1ccccc1 ZINC000239306250 564088051 /nfs/dbraw/zinc/08/80/51/564088051.db2.gz GPUZEMUACDCDIM-OIBXWCBGSA-N 1 1 340.555 4.909 50 0 EJAAMO C[C@H](CCN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1)c1ccccc1 ZINC000239306250 564088052 /nfs/dbraw/zinc/08/80/52/564088052.db2.gz GPUZEMUACDCDIM-OIBXWCBGSA-N 1 1 340.555 4.909 50 0 EJAAMO CCCCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000239433697 564088142 /nfs/dbraw/zinc/08/81/42/564088142.db2.gz YIBLLNKVEAJJCJ-ACESQOTJSA-N 1 1 337.507 5.362 50 0 EJAAMO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cs1 ZINC000239619621 564088181 /nfs/dbraw/zinc/08/81/81/564088181.db2.gz BFVQJOPRDLKUOZ-APWZRJJASA-N 1 1 344.524 5.195 50 0 EJAAMO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cs1 ZINC000239619621 564088182 /nfs/dbraw/zinc/08/81/82/564088182.db2.gz BFVQJOPRDLKUOZ-APWZRJJASA-N 1 1 344.524 5.195 50 0 EJAAMO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cs1 ZINC000239619622 564088184 /nfs/dbraw/zinc/08/81/84/564088184.db2.gz BFVQJOPRDLKUOZ-LPHOPBHVSA-N 1 1 344.524 5.195 50 0 EJAAMO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cs1 ZINC000239619622 564088185 /nfs/dbraw/zinc/08/81/85/564088185.db2.gz BFVQJOPRDLKUOZ-LPHOPBHVSA-N 1 1 344.524 5.195 50 0 EJAAMO COc1ccc(SC[C@H]2C[N@@H+](C)CC[C@H]2c2ccc(F)cc2)cc1 ZINC000248128464 564089263 /nfs/dbraw/zinc/08/92/63/564089263.db2.gz MLARQDLTIVCLRN-UZLBHIALSA-N 1 1 345.483 4.662 50 0 EJAAMO C[C@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2Br)C1 ZINC000004914380 564093173 /nfs/dbraw/zinc/09/31/73/564093173.db2.gz AIMUFYVOHLVFCJ-AWEZNQCLSA-N 1 1 348.284 4.713 50 0 EJAAMO Cc1cccc(N2CC[N@H+](Cc3csc4c3CCCC4)C[C@@H]2C)c1 ZINC000006797679 564098075 /nfs/dbraw/zinc/09/80/75/564098075.db2.gz QMBQRZDGSHQVMY-KRWDZBQOSA-N 1 1 340.536 4.646 50 0 EJAAMO CN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000006871452 564100202 /nfs/dbraw/zinc/10/02/02/564100202.db2.gz PDEISEDKFFPVGO-UHFFFAOYSA-N 1 1 348.837 4.807 50 0 EJAAMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccc(F)c1 ZINC000007017379 564103178 /nfs/dbraw/zinc/10/31/78/564103178.db2.gz AAAJJUYBXZPZRY-UHFFFAOYSA-N 1 1 348.421 4.710 50 0 EJAAMO CCOc1ccccc1-c1noc(C[N@H+]2CCC[C@H]2C(C)(C)CC)n1 ZINC000089941989 564115553 /nfs/dbraw/zinc/11/55/53/564115553.db2.gz DKHDYLXUDBXEQY-KRWDZBQOSA-N 1 1 343.471 4.536 50 0 EJAAMO Cc1cc(C)c(OCCC[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000002822488 564116933 /nfs/dbraw/zinc/11/69/33/564116933.db2.gz VAESAOPTTWVSLB-CYBMUJFWSA-N 1 1 340.305 4.567 50 0 EJAAMO COc1cc(C)c(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cc1OC ZINC000095356878 564139284 /nfs/dbraw/zinc/13/92/84/564139284.db2.gz FIGKCTXRBUGTOP-LJQANCHMSA-N 1 1 340.467 4.525 50 0 EJAAMO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000095943442 564142088 /nfs/dbraw/zinc/14/20/88/564142088.db2.gz BWKVSXJAFUBJRM-MRXNPFEDSA-N 1 1 329.488 4.567 50 0 EJAAMO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000095968001 564143141 /nfs/dbraw/zinc/14/31/41/564143141.db2.gz WIZGCFOFHBHWJT-RKDXNWHRSA-N 1 1 341.224 4.605 50 0 EJAAMO CC[N@H+](Cc1nc2c(nccc2C)[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000096012936 564144816 /nfs/dbraw/zinc/14/48/16/564144816.db2.gz YLEZQZSHKHRLSC-CQSZACIVSA-N 1 1 334.423 4.596 50 0 EJAAMO CC[N@@H+](Cc1nc2c(nccc2C)[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000096012936 564144817 /nfs/dbraw/zinc/14/48/17/564144817.db2.gz YLEZQZSHKHRLSC-CQSZACIVSA-N 1 1 334.423 4.596 50 0 EJAAMO Fc1cccc(-c2nc(C[N@H+]3CCC[C@H]3Cc3ccccc3)co2)c1 ZINC000028965826 564152868 /nfs/dbraw/zinc/15/28/68/564152868.db2.gz MDRMNZARSCEVMR-FQEVSTJZSA-N 1 1 336.410 4.688 50 0 EJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]3c3ccccc3)c2cc1C ZINC000057481546 564154471 /nfs/dbraw/zinc/15/44/71/564154471.db2.gz QZROIFWKGVEPBX-FQEVSTJZSA-N 1 1 333.431 4.747 50 0 EJAAMO CCc1ccc2c(C[N@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc2c1 ZINC000057531670 564154815 /nfs/dbraw/zinc/15/48/15/564154815.db2.gz LEQNXKZEOMOQKJ-FQEVSTJZSA-N 1 1 333.431 4.693 50 0 EJAAMO C[N@@H+]([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CCCCC1 ZINC000058165802 564157878 /nfs/dbraw/zinc/15/78/78/564157878.db2.gz XKUDNSUBTMRNDU-HXUWFJFHSA-N 1 1 340.442 4.770 50 0 EJAAMO Cc1cc2c(ncnc2NCC[C@@H]2CCCC[N@H+]2C2CCCC2)s1 ZINC000670460736 564161124 /nfs/dbraw/zinc/16/11/24/564161124.db2.gz KSRGWPQEEFWGJD-INIZCTEOSA-N 1 1 344.528 4.599 50 0 EJAAMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)c1c2c(cc3c1CCC3)CCC2 ZINC000039439602 564167578 /nfs/dbraw/zinc/16/75/78/564167578.db2.gz NXDUYFJZCDPPAO-QHCPKHFHSA-N 1 1 349.518 4.608 50 0 EJAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000015836712 568420141 /nfs/dbraw/zinc/42/01/41/568420141.db2.gz SLPFUYBSNWLTIB-LJQANCHMSA-N 1 1 331.843 4.694 50 0 EJAAMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000015836714 568420173 /nfs/dbraw/zinc/42/01/73/568420173.db2.gz SLPFUYBSNWLTIB-IBGZPJMESA-N 1 1 331.843 4.694 50 0 EJAAMO COc1ccc([C@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)cc1F ZINC000050510221 214058567 /nfs/dbraw/zinc/05/85/67/214058567.db2.gz BIJMVYFVTJRERD-NSHDSACASA-N 1 1 348.468 4.870 50 0 EJAAMO C[C@H](c1ccncn1)[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2F)o1 ZINC000055284550 214301662 /nfs/dbraw/zinc/30/16/62/214301662.db2.gz YMWVZEJSFVKDRI-GFCCVEGCSA-N 1 1 345.805 4.722 50 0 EJAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2F)o1 ZINC000055284550 214301665 /nfs/dbraw/zinc/30/16/65/214301665.db2.gz YMWVZEJSFVKDRI-GFCCVEGCSA-N 1 1 345.805 4.722 50 0 EJAAMO C[C@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1Cl ZINC000004664856 210240903 /nfs/dbraw/zinc/24/09/03/210240903.db2.gz ZJSORPWYRKFLDQ-FRRDWIJNSA-N 1 1 344.282 4.802 50 0 EJAAMO CCCN1CCC([NH2+]CCC(c2ccccc2)c2ccccc2)CC1 ZINC000004612609 210232749 /nfs/dbraw/zinc/23/27/49/210232749.db2.gz BFROMXVPJLPZJN-UHFFFAOYSA-N 1 1 336.523 4.673 50 0 EJAAMO CCCCCCOc1ccccc1NC(=O)OC[C@@H]1CCCC[N@H+]1C ZINC000004566634 210222601 /nfs/dbraw/zinc/22/26/01/210222601.db2.gz BETFOLQBMHYFBR-KRWDZBQOSA-N 1 1 348.487 4.679 50 0 EJAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064666840 214798746 /nfs/dbraw/zinc/79/87/46/214798746.db2.gz UOVRXHDWRDUKQI-NRFANRHFSA-N 1 1 348.446 4.899 50 0 EJAAMO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000004148689 210132651 /nfs/dbraw/zinc/13/26/51/210132651.db2.gz YSMGXGMEJVBETQ-NRFANRHFSA-N 1 1 328.419 4.776 50 0 EJAAMO C[N@H+]1[C@H](CC(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C ZINC000003957435 210096400 /nfs/dbraw/zinc/09/64/00/210096400.db2.gz AUSGKSYHQUASAZ-GOSISDBHSA-N 1 1 342.870 4.676 50 0 EJAAMO COc1ccccc1C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019634568 202014723 /nfs/dbraw/zinc/01/47/23/202014723.db2.gz MRMPXHZIOZXPNC-UHFFFAOYSA-N 1 1 331.459 4.940 50 0 EJAAMO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038856659 213228150 /nfs/dbraw/zinc/22/81/50/213228150.db2.gz VIEUNRMDVQLZRW-LJQANCHMSA-N 1 1 336.479 4.661 50 0 EJAAMO Cc1ccc(C(=O)c2c[nH+]c3ccc(C)cc3c2N2CCCC2)cc1 ZINC000020861770 202056507 /nfs/dbraw/zinc/05/65/07/202056507.db2.gz OYKBXUDNPAEZGM-UHFFFAOYSA-N 1 1 330.431 4.683 50 0 EJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3cccnc32)c(OC)c1 ZINC000022516190 202086737 /nfs/dbraw/zinc/08/67/37/202086737.db2.gz TYIGXXDZVAOSNU-FQEVSTJZSA-N 1 1 348.446 4.589 50 0 EJAAMO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000023478137 202105068 /nfs/dbraw/zinc/10/50/68/202105068.db2.gz PDRVYFIDBHSGLM-QGZVFWFLSA-N 1 1 345.552 4.774 50 0 EJAAMO O=C(c1c[nH]c2ccccc12)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000023881841 202109537 /nfs/dbraw/zinc/10/95/37/202109537.db2.gz ZLEJVXCNWPKJSV-QFIPXVFZSA-N 1 1 340.426 4.882 50 0 EJAAMO c1ccc2oc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000023989918 202111249 /nfs/dbraw/zinc/11/12/49/202111249.db2.gz ZIZIXFSOLVCOOO-AWEZNQCLSA-N 1 1 349.459 4.817 50 0 EJAAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000029482636 202187791 /nfs/dbraw/zinc/18/77/91/202187791.db2.gz ZJDXLGCYHNUWIR-KRWDZBQOSA-N 1 1 349.261 4.551 50 0 EJAAMO Fc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000036347629 213086745 /nfs/dbraw/zinc/08/67/45/213086745.db2.gz HEHWSUOLVPPVJJ-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000036347629 213086749 /nfs/dbraw/zinc/08/67/49/213086749.db2.gz HEHWSUOLVPPVJJ-OAQYLSRUSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000036348187 213086359 /nfs/dbraw/zinc/08/63/59/213086359.db2.gz UFMKQNHBQFXFRK-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000036348187 213086362 /nfs/dbraw/zinc/08/63/62/213086362.db2.gz UFMKQNHBQFXFRK-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000033087196 202250076 /nfs/dbraw/zinc/25/00/76/202250076.db2.gz CSCQVXKAXQTZLX-HXUWFJFHSA-N 1 1 343.442 4.960 50 0 EJAAMO Fc1ccc([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccn3)no2)cc1 ZINC000072163933 216052895 /nfs/dbraw/zinc/05/28/95/216052895.db2.gz NGOYLEMZDXFGAT-HXUWFJFHSA-N 1 1 337.398 4.603 50 0 EJAAMO Fc1ccc([C@H]2CCCC[N@H+]2Cc2cc(-c3ccccn3)no2)cc1 ZINC000072163933 216052896 /nfs/dbraw/zinc/05/28/96/216052896.db2.gz NGOYLEMZDXFGAT-HXUWFJFHSA-N 1 1 337.398 4.603 50 0 EJAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000034863268 202278904 /nfs/dbraw/zinc/27/89/04/202278904.db2.gz FTLSGFLBFISHGF-UEXGIBASSA-N 1 1 336.479 4.653 50 0 EJAAMO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348230 202322069 /nfs/dbraw/zinc/32/20/69/202322069.db2.gz XFAKNXXGMOPPGH-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348230 202322072 /nfs/dbraw/zinc/32/20/72/202322072.db2.gz XFAKNXXGMOPPGH-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1cccc([C@H]2CCCC[N@@H+]2Cc2cnc(N3CCCC3)s2)c1 ZINC000072422239 216211275 /nfs/dbraw/zinc/21/12/75/216211275.db2.gz XBMLQRAVSLPABT-GOSISDBHSA-N 1 1 345.487 4.610 50 0 EJAAMO Fc1cccc([C@H]2CCCC[N@H+]2Cc2cnc(N3CCCC3)s2)c1 ZINC000072422239 216211277 /nfs/dbraw/zinc/21/12/77/216211277.db2.gz XBMLQRAVSLPABT-GOSISDBHSA-N 1 1 345.487 4.610 50 0 EJAAMO CC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@H+](C(C)(C)C)C1 ZINC000000049434 209390112 /nfs/dbraw/zinc/39/01/12/209390112.db2.gz XENZICQEFWMILM-RXVVDRJESA-N 1 1 331.500 4.612 50 0 EJAAMO C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000195560982 241009164 /nfs/dbraw/zinc/00/91/64/241009164.db2.gz QPCFTGNGVCQFQN-VFNWGFHPSA-N 1 1 341.426 4.808 50 0 EJAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1ccccc1-c1ccco1 ZINC000215298580 241117184 /nfs/dbraw/zinc/11/71/84/241117184.db2.gz KVYWKXMZZZJVJN-FQEVSTJZSA-N 1 1 349.478 4.896 50 0 EJAAMO COC[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C2CCCC2)s1 ZINC000216259277 241177095 /nfs/dbraw/zinc/17/70/95/241177095.db2.gz KPIJEXJABVOBQX-SFHVURJKSA-N 1 1 330.497 4.620 50 0 EJAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C2CCCC2)s1 ZINC000216259277 241177100 /nfs/dbraw/zinc/17/71/00/241177100.db2.gz KPIJEXJABVOBQX-SFHVURJKSA-N 1 1 330.497 4.620 50 0 EJAAMO c1[nH]nc(-c2ccccc2)c1C[N@@H+](Cc1ccncc1)C1CCCCC1 ZINC000218997218 241360606 /nfs/dbraw/zinc/36/06/06/241360606.db2.gz UWKHIMBGPBCJPX-UHFFFAOYSA-N 1 1 346.478 4.807 50 0 EJAAMO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000021720852 212245075 /nfs/dbraw/zinc/24/50/75/212245075.db2.gz QRYKKLRFTPFZAX-OAHLLOKOSA-N 1 1 349.272 4.645 50 0 EJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1 ZINC000021720852 212245078 /nfs/dbraw/zinc/24/50/78/212245078.db2.gz QRYKKLRFTPFZAX-OAHLLOKOSA-N 1 1 349.272 4.645 50 0 EJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1OC(C)C ZINC000021720924 212245204 /nfs/dbraw/zinc/24/52/04/212245204.db2.gz WZYWGLRUVPZHGX-KRWDZBQOSA-N 1 1 328.456 4.670 50 0 EJAAMO CCOc1cc2c(cc1OCC)[C@H](c1c(F)cccc1Cl)[NH2+]CC2 ZINC000020506834 212141532 /nfs/dbraw/zinc/14/15/32/212141532.db2.gz SFKIMETUOKTCFK-LJQANCHMSA-N 1 1 349.833 4.512 50 0 EJAAMO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1ccccc1 ZINC000070005941 203068709 /nfs/dbraw/zinc/06/87/09/203068709.db2.gz ZTCCHMVWZIPVFX-UHFFFAOYSA-N 1 1 339.870 4.939 50 0 EJAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)on1 ZINC000075448609 203314976 /nfs/dbraw/zinc/31/49/76/203314976.db2.gz BAACWUNVVXCWQE-SFHVURJKSA-N 1 1 336.439 4.525 50 0 EJAAMO c1ccc(C[NH+]2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019536184 212038874 /nfs/dbraw/zinc/03/88/74/212038874.db2.gz LFXVGFMQTNLFAV-UHFFFAOYSA-N 1 1 342.486 4.671 50 0 EJAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccco3)oc2C)c1 ZINC000012431027 211378720 /nfs/dbraw/zinc/37/87/20/211378720.db2.gz QTXNPZMUSQHGKM-GOSISDBHSA-N 1 1 338.407 4.589 50 0 EJAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccco3)oc2C)c1 ZINC000012431027 211378716 /nfs/dbraw/zinc/37/87/16/211378716.db2.gz QTXNPZMUSQHGKM-GOSISDBHSA-N 1 1 338.407 4.589 50 0 EJAAMO O=C(CC[C@@H]1CCC[N@H+](C2CCCCCC2)C1)Nc1ccccc1F ZINC000012430677 211378095 /nfs/dbraw/zinc/37/80/95/211378095.db2.gz DAUPPGIDKHZHPJ-KRWDZBQOSA-N 1 1 346.490 4.979 50 0 EJAAMO CCOc1ccccc1-c1nc(C[N@H+](C)Cc2ccccc2)c(C)o1 ZINC000012385585 211365331 /nfs/dbraw/zinc/36/53/31/211365331.db2.gz NLXAKALIBPONIQ-UHFFFAOYSA-N 1 1 336.435 4.681 50 0 EJAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000012385585 211365335 /nfs/dbraw/zinc/36/53/35/211365335.db2.gz NLXAKALIBPONIQ-UHFFFAOYSA-N 1 1 336.435 4.681 50 0 EJAAMO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccco2)cc1 ZINC000012003237 211279295 /nfs/dbraw/zinc/27/92/95/211279295.db2.gz JKVRAPCWLHSUQM-HXUWFJFHSA-N 1 1 349.478 4.930 50 0 EJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(C2CCCCC2)cc1 ZINC000011847308 211256655 /nfs/dbraw/zinc/25/66/55/211256655.db2.gz CHJINILHYQKWHZ-LVCYWYKZSA-N 1 1 345.527 4.737 50 0 EJAAMO CCc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009836685 211127309 /nfs/dbraw/zinc/12/73/09/211127309.db2.gz LUPPCVGHAFPIAG-AWEZNQCLSA-N 1 1 339.414 4.631 50 0 EJAAMO CCc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009836685 211127313 /nfs/dbraw/zinc/12/73/13/211127313.db2.gz LUPPCVGHAFPIAG-AWEZNQCLSA-N 1 1 339.414 4.631 50 0 EJAAMO CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1cccc(F)c1 ZINC000012997734 207263541 /nfs/dbraw/zinc/26/35/41/207263541.db2.gz FRDKNRVHAVIJKV-UHFFFAOYSA-N 1 1 342.458 4.718 50 0 EJAAMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1cccc(F)c1 ZINC000012997734 207263543 /nfs/dbraw/zinc/26/35/43/207263543.db2.gz FRDKNRVHAVIJKV-UHFFFAOYSA-N 1 1 342.458 4.718 50 0 EJAAMO COc1cccc(OC)c1OCCCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004836884 210293809 /nfs/dbraw/zinc/29/38/09/210293809.db2.gz BPLNDHPQMGBONF-HDICACEKSA-N 1 1 349.515 4.621 50 0 EJAAMO CC1(C)C[C@@]2(CCC[N@@H+](CCC(=O)c3ccc(Cl)cc3)C2)CCO1 ZINC000004834825 210292390 /nfs/dbraw/zinc/29/23/90/210292390.db2.gz CBNWYLOCQPQBCR-HXUWFJFHSA-N 1 1 349.902 4.584 50 0 EJAAMO Cc1ccc(C)c(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000055292130 132194800 /nfs/dbraw/zinc/19/48/00/132194800.db2.gz FJTRRGCDNOHHTM-UHFFFAOYSA-N 1 1 348.412 4.644 50 0 EJAAMO CC(C)(C)[C@@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000136066148 526639091 /nfs/dbraw/zinc/63/90/91/526639091.db2.gz NUFMXUVBRHSLPS-SJORKVTESA-N 1 1 330.497 4.872 50 0 EJAAMO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)no1 ZINC000215137775 535370179 /nfs/dbraw/zinc/37/01/79/535370179.db2.gz GBCABRRZHIGIHX-MRXNPFEDSA-N 1 1 342.468 4.587 50 0 EJAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)s2)no1 ZINC000215137775 535370181 /nfs/dbraw/zinc/37/01/81/535370181.db2.gz GBCABRRZHIGIHX-MRXNPFEDSA-N 1 1 342.468 4.587 50 0 EJAAMO CC(C)c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055543246 535371349 /nfs/dbraw/zinc/37/13/49/535371349.db2.gz UBQNCQKGXNBITQ-UHFFFAOYSA-N 1 1 328.887 4.786 50 0 EJAAMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccs3)o2)s1 ZINC000071910871 563576703 /nfs/dbraw/zinc/57/67/03/563576703.db2.gz KSOVQXFIOBWOOH-GFCCVEGCSA-N 1 1 331.466 4.505 50 0 EJAAMO Cc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccs3)o2)s1 ZINC000071910871 563576705 /nfs/dbraw/zinc/57/67/05/563576705.db2.gz KSOVQXFIOBWOOH-GFCCVEGCSA-N 1 1 331.466 4.505 50 0 EJAAMO Clc1ccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)c(Cl)c1 ZINC000007365348 563600158 /nfs/dbraw/zinc/60/01/58/563600158.db2.gz DIFMQOKMMKCHKW-UHFFFAOYSA-N 1 1 333.218 4.938 50 0 EJAAMO CCc1ccc2[nH]c(C)c(C[N@@H+](CC)Cc3ccccc3)c(=O)c2c1 ZINC000008572498 563632610 /nfs/dbraw/zinc/63/26/10/563632610.db2.gz DEFFWMZIWMYFSZ-UHFFFAOYSA-N 1 1 334.463 4.833 50 0 EJAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000012439394 563660842 /nfs/dbraw/zinc/66/08/42/563660842.db2.gz MHTKVKXIRZZGTA-LJQANCHMSA-N 1 1 345.442 4.626 50 0 EJAAMO COc1cccc([C@H](C)[N@H+](C)Cc2nc(-c3cccs3)oc2C)c1 ZINC000012713962 563668671 /nfs/dbraw/zinc/66/86/71/563668671.db2.gz WSVGXQMJHFXMOB-ZDUSSCGKSA-N 1 1 342.464 4.913 50 0 EJAAMO COc1cccc([C@H](C)[N@@H+](C)Cc2nc(-c3cccs3)oc2C)c1 ZINC000012713962 563668673 /nfs/dbraw/zinc/66/86/73/563668673.db2.gz WSVGXQMJHFXMOB-ZDUSSCGKSA-N 1 1 342.464 4.913 50 0 EJAAMO Cc1cc(C)n(-c2ccc(C[N@@H+](Cc3ccccc3F)C3CC3)cc2)n1 ZINC000012974862 563680215 /nfs/dbraw/zinc/68/02/15/563680215.db2.gz AZQWIYFWPCTRPG-UHFFFAOYSA-N 1 1 349.453 4.793 50 0 EJAAMO CC(C)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000013041213 563686354 /nfs/dbraw/zinc/68/63/54/563686354.db2.gz WUGZGVHGHSVDEZ-HNNXBMFYSA-N 1 1 344.886 4.922 50 0 EJAAMO CC(C)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000013041213 563686359 /nfs/dbraw/zinc/68/63/59/563686359.db2.gz WUGZGVHGHSVDEZ-HNNXBMFYSA-N 1 1 344.886 4.922 50 0 EJAAMO C[N@H+](CN1c2cccc3cccc(c23)C1=O)[C@H]1CCCc2ccccc21 ZINC000032899424 563785420 /nfs/dbraw/zinc/78/54/20/563785420.db2.gz SFGNCYDPEVLZHR-FQEVSTJZSA-N 1 1 342.442 4.767 50 0 EJAAMO C[N@@H+](CN1c2cccc3cccc(c23)C1=O)[C@H]1CCCc2ccccc21 ZINC000032899424 563785421 /nfs/dbraw/zinc/78/54/21/563785421.db2.gz SFGNCYDPEVLZHR-FQEVSTJZSA-N 1 1 342.442 4.767 50 0 EJAAMO Fc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)co2)c1 ZINC000028962556 563904644 /nfs/dbraw/zinc/90/46/44/563904644.db2.gz GDLCKFXNVQKBBM-MRXNPFEDSA-N 1 1 328.412 4.879 50 0 EJAAMO Fc1cccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccs3)co2)c1 ZINC000028962556 563904646 /nfs/dbraw/zinc/90/46/46/563904646.db2.gz GDLCKFXNVQKBBM-MRXNPFEDSA-N 1 1 328.412 4.879 50 0 EJAAMO C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000029488667 563906819 /nfs/dbraw/zinc/90/68/19/563906819.db2.gz QKDKLXFPKREGNT-HXUWFJFHSA-N 1 1 336.479 4.542 50 0 EJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)c(OC)c1 ZINC000033087191 563914906 /nfs/dbraw/zinc/91/49/06/563914906.db2.gz ACTJQYZZPBITSM-KRWDZBQOSA-N 1 1 331.481 4.883 50 0 EJAAMO CCOc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)ccc1OC ZINC000004985459 563919010 /nfs/dbraw/zinc/91/90/10/563919010.db2.gz ADFLBZSPSOBNMM-UHFFFAOYSA-N 1 1 341.426 4.522 50 0 EJAAMO O=c1c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)coc2ccc(Cl)cc21 ZINC000230136198 563919714 /nfs/dbraw/zinc/91/97/14/563919714.db2.gz UGFOCSQYKWFHRV-SUMWQHHRSA-N 1 1 331.843 4.601 50 0 EJAAMO Cc1ccc2c(C[N@@H+](C)Cc3ccc(Cl)cc3)cc(=O)oc2c1C ZINC000057380576 563935593 /nfs/dbraw/zinc/93/55/93/563935593.db2.gz QVIWZDASLGRDSV-UHFFFAOYSA-N 1 1 341.838 4.695 50 0 EJAAMO C[C@H]([NH2+]Cc1ccccc1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000058148740 563937909 /nfs/dbraw/zinc/93/79/09/563937909.db2.gz WPBRHFPEANOZOL-AWEZNQCLSA-N 1 1 344.886 4.754 50 0 EJAAMO CCc1cccc2c(C(=O)C[N@H+]3CCC[C@H]3c3cccs3)c[nH]c21 ZINC000058160801 563938431 /nfs/dbraw/zinc/93/84/31/563938431.db2.gz KVPVOQIYZTYSHG-KRWDZBQOSA-N 1 1 338.476 4.812 50 0 EJAAMO COc1ccc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000058289034 563941789 /nfs/dbraw/zinc/94/17/89/563941789.db2.gz CEKDHIPFCUSXCS-UHFFFAOYSA-N 1 1 335.369 4.879 50 0 EJAAMO Cc1cc(C)cc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000058447237 563946615 /nfs/dbraw/zinc/94/66/15/563946615.db2.gz IHJNDTDHXHTBDA-UHFFFAOYSA-N 1 1 344.458 4.621 50 0 EJAAMO CC(C)Cc1ccc([C@@H]([NH2+]Cc2nnc(C(C)C)o2)C(C)C)cc1 ZINC000060371453 563949296 /nfs/dbraw/zinc/94/92/96/563949296.db2.gz GFDYKIUJWHQDIL-IBGZPJMESA-N 1 1 329.488 4.878 50 0 EJAAMO COc1ccc(-c2cnc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)o2)cc1 ZINC000060105726 563949679 /nfs/dbraw/zinc/94/96/79/563949679.db2.gz XSINGSLCYKLSIT-ZDUSSCGKSA-N 1 1 342.826 4.854 50 0 EJAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984489 563957434 /nfs/dbraw/zinc/95/74/34/563957434.db2.gz ORGYFPJOTSVEOC-LJQANCHMSA-N 1 1 328.456 4.922 50 0 EJAAMO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064984501 563957476 /nfs/dbraw/zinc/95/74/76/563957476.db2.gz RUKFMSZHDHMDLE-SFHVURJKSA-N 1 1 328.456 4.922 50 0 EJAAMO CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064984501 563957477 /nfs/dbraw/zinc/95/74/77/563957477.db2.gz RUKFMSZHDHMDLE-SFHVURJKSA-N 1 1 328.456 4.922 50 0 EJAAMO Oc1cccc(-c2cc([C@H]3CC[N@@H+](Cc4ccsc4)C3)ccn2)c1 ZINC000065404600 563959986 /nfs/dbraw/zinc/95/99/86/563959986.db2.gz QKFWXWWISTWKHD-SFHVURJKSA-N 1 1 336.460 4.505 50 0 EJAAMO c1ccc(C[N@H+]2CC[C@H]([C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000071769335 563965559 /nfs/dbraw/zinc/96/55/59/563965559.db2.gz BLHARDLNGUCJNB-JTHBVZDNSA-N 1 1 328.459 4.736 50 0 EJAAMO CCn1ccc2ccc(C[N@@H+]3CCC[C@@H]3c3nc(C(C)C)no3)cc21 ZINC000077566419 563970377 /nfs/dbraw/zinc/97/03/77/563970377.db2.gz HTMZAANFDWISAU-QGZVFWFLSA-N 1 1 338.455 4.505 50 0 EJAAMO CCn1ccc2ccc(C[N@H+]3CCC[C@@H]3c3nc(C(C)C)no3)cc21 ZINC000077566419 563970378 /nfs/dbraw/zinc/97/03/78/563970378.db2.gz HTMZAANFDWISAU-QGZVFWFLSA-N 1 1 338.455 4.505 50 0 EJAAMO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]Cc1ccccc1 ZINC000017309840 564011583 /nfs/dbraw/zinc/01/15/83/564011583.db2.gz VLTWCHFJDSRQDN-UHFFFAOYSA-N 1 1 339.870 4.741 50 0 EJAAMO CCOc1cc2c[nH+]c(Nc3ccc(OC)cc3)cc2cc1OCC ZINC000000543229 564022524 /nfs/dbraw/zinc/02/25/24/564022524.db2.gz BPKIDYIGWRBEBL-UHFFFAOYSA-N 1 1 338.407 4.784 50 0 EJAAMO C[N@@H+](C[C@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000105712584 564025302 /nfs/dbraw/zinc/02/53/02/564025302.db2.gz AZLVFMJMZBMGFL-FCHUYYIVSA-N 1 1 335.422 4.581 50 0 EJAAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000003340392 564059314 /nfs/dbraw/zinc/05/93/14/564059314.db2.gz BMBWRFABZOCADR-UHFFFAOYSA-N 1 1 344.458 4.733 50 0 EJAAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000003340392 564059315 /nfs/dbraw/zinc/05/93/15/564059315.db2.gz BMBWRFABZOCADR-UHFFFAOYSA-N 1 1 344.458 4.733 50 0 EJAAMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000083973357 564065379 /nfs/dbraw/zinc/06/53/79/564065379.db2.gz NBTMWFBWAVJHOW-LJQANCHMSA-N 1 1 348.446 4.557 50 0 EJAAMO Clc1cccc(-c2nc(C[N@H+]3CC[C@@H](c4ccccc4)C3)co2)c1 ZINC000084525549 564068478 /nfs/dbraw/zinc/06/84/78/564068478.db2.gz JTKDDUAFOXBGTQ-QGZVFWFLSA-N 1 1 338.838 4.985 50 0 EJAAMO Fc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)no2)c1 ZINC000084560125 564068689 /nfs/dbraw/zinc/06/86/89/564068689.db2.gz MEPJOFXHAJUMIB-LJQANCHMSA-N 1 1 336.410 4.688 50 0 EJAAMO Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2)cc1 ZINC000015837421 564076531 /nfs/dbraw/zinc/07/65/31/564076531.db2.gz UDFXQJRHNVFCKP-KRWDZBQOSA-N 1 1 334.232 4.925 50 0 EJAAMO Fc1ccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000095869914 564076325 /nfs/dbraw/zinc/07/63/25/564076325.db2.gz FSYONYPQHIUIAB-UHFFFAOYSA-N 1 1 333.406 4.678 50 0 EJAAMO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2)cc1 ZINC000015837421 564076530 /nfs/dbraw/zinc/07/65/30/564076530.db2.gz UDFXQJRHNVFCKP-KRWDZBQOSA-N 1 1 334.232 4.925 50 0 EJAAMO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862287 564077034 /nfs/dbraw/zinc/07/70/34/564077034.db2.gz NEGFHOGEBICOER-UHFFFAOYSA-N 1 1 344.817 4.755 50 0 EJAAMO O=C(C[NH+]1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000006638058 564094774 /nfs/dbraw/zinc/09/47/74/564094774.db2.gz JIYXLPJNHKGUDB-UHFFFAOYSA-N 1 1 346.883 4.526 50 0 EJAAMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000006841324 564099377 /nfs/dbraw/zinc/09/93/77/564099377.db2.gz FEQFRLZEPJCXTE-WMZOPIPTSA-N 1 1 338.495 4.968 50 0 EJAAMO C[C@H]1CCCC[N@H+]1Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002118581 564118239 /nfs/dbraw/zinc/11/82/39/564118239.db2.gz RFBOJWYFYNPANN-HNNXBMFYSA-N 1 1 349.430 4.540 50 0 biogenic EJAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)c(C)c1 ZINC000252452303 564118510 /nfs/dbraw/zinc/11/85/10/564118510.db2.gz BBWLQNXFFZVDJX-YJBOKZPZSA-N 1 1 328.481 4.529 50 0 EJAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccsc2)c(C)c1 ZINC000252452303 564118511 /nfs/dbraw/zinc/11/85/11/564118511.db2.gz BBWLQNXFFZVDJX-YJBOKZPZSA-N 1 1 328.481 4.529 50 0 EJAAMO CSc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007918594 564125166 /nfs/dbraw/zinc/12/51/66/564125166.db2.gz YLMHSGRFASYVHD-LBPRGKRZSA-N 1 1 345.493 4.713 50 0 EJAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007918594 564125167 /nfs/dbraw/zinc/12/51/67/564125167.db2.gz YLMHSGRFASYVHD-LBPRGKRZSA-N 1 1 345.493 4.713 50 0 EJAAMO CCO[C@@H](C)c1nc(C[NH2+][C@@]2(C)CCCc3ccccc32)cs1 ZINC000095960510 564142714 /nfs/dbraw/zinc/14/27/14/564142714.db2.gz DBEZIRXABCBRRX-LIRRHRJNSA-N 1 1 330.497 4.582 50 0 EJAAMO Cc1nc2c(s1)[C@@H]([NH2+]Cc1coc(-c3ccc(C)cc3)n1)CCC2 ZINC000095968794 564143255 /nfs/dbraw/zinc/14/32/55/564143255.db2.gz AOUHBIJFDFXRNE-INIZCTEOSA-N 1 1 339.464 4.582 50 0 EJAAMO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)OC(c1ccccc1)c1ccccc1 ZINC000096027614 564145000 /nfs/dbraw/zinc/14/50/00/564145000.db2.gz WGPIBJKFCPLPKD-HDICACEKSA-N 1 1 337.463 4.582 50 0 EJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)OC(c1ccccc1)c1ccccc1 ZINC000096027614 564145001 /nfs/dbraw/zinc/14/50/01/564145001.db2.gz WGPIBJKFCPLPKD-HDICACEKSA-N 1 1 337.463 4.582 50 0 EJAAMO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320491 564164272 /nfs/dbraw/zinc/16/42/72/564164272.db2.gz AGKLKHFSLZBCFF-QGZVFWFLSA-N 1 1 328.481 4.647 50 0 EJAAMO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320491 564164273 /nfs/dbraw/zinc/16/42/73/564164273.db2.gz AGKLKHFSLZBCFF-QGZVFWFLSA-N 1 1 328.481 4.647 50 0 EJAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320644 564164353 /nfs/dbraw/zinc/16/43/53/564164353.db2.gz YIDXPZFRIWKIBD-SWLSCSKDSA-N 1 1 334.872 4.566 50 0 EJAAMO Cc1cccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCC2)c1 ZINC000008414534 564165209 /nfs/dbraw/zinc/16/52/09/564165209.db2.gz SVGYARIWIKGHSN-UHFFFAOYSA-N 1 1 340.854 4.920 50 0 EJAAMO Cc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2[nH+]1 ZINC000008656947 564166207 /nfs/dbraw/zinc/16/62/07/564166207.db2.gz HKGKQKOXZLPQBP-UHFFFAOYSA-N 1 1 329.197 4.755 50 0 EJAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC=CCC1)C1CCCCC1 ZINC000040049144 564167802 /nfs/dbraw/zinc/16/78/02/564167802.db2.gz VYJGEKRKXOGXMM-QGZVFWFLSA-N 1 1 326.484 4.746 50 0 EJAAMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000071808726 564175553 /nfs/dbraw/zinc/17/55/53/564175553.db2.gz WDUDFPWQJNLLKU-CYBMUJFWSA-N 1 1 345.899 4.668 50 0 EJAAMO Cc1ccccc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000004745039 210267693 /nfs/dbraw/zinc/26/76/93/210267693.db2.gz BJXYHPAJGUMTTH-UHFFFAOYSA-N 1 1 344.458 4.636 50 0 EJAAMO c1ccc(C[C@@H]([NH2+]Cc2nc3ccccc3o2)c2ccccc2)cc1 ZINC000052661530 214139177 /nfs/dbraw/zinc/13/91/77/214139177.db2.gz BYRRTVKAIKZFOE-HXUWFJFHSA-N 1 1 328.415 4.901 50 0 EJAAMO COCC[N@@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1ccc(C)cc1 ZINC000055166505 214281815 /nfs/dbraw/zinc/28/18/15/214281815.db2.gz IWJMUOXEGGSOQO-IBGZPJMESA-N 1 1 345.508 4.557 50 0 EJAAMO C[C@@H](c1ccncn1)[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2F)o1 ZINC000055284547 214301837 /nfs/dbraw/zinc/30/18/37/214301837.db2.gz YMWVZEJSFVKDRI-LBPRGKRZSA-N 1 1 345.805 4.722 50 0 EJAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2F)o1 ZINC000055284547 214301839 /nfs/dbraw/zinc/30/18/39/214301839.db2.gz YMWVZEJSFVKDRI-LBPRGKRZSA-N 1 1 345.805 4.722 50 0 EJAAMO CCCC[N@@H+](Cc1ccco1)Cc1cccc(Oc2ncccn2)c1 ZINC000055385190 214315756 /nfs/dbraw/zinc/31/57/56/214315756.db2.gz XIKGXMQBJMIEPM-UHFFFAOYSA-N 1 1 337.423 4.664 50 0 EJAAMO CCCC[N@@H+](C)C1CCN(C(=S)Nc2c(C)cc(C)cc2C)CC1 ZINC000003588699 210058929 /nfs/dbraw/zinc/05/89/29/210058929.db2.gz CERAGJRMXGDFCE-UHFFFAOYSA-N 1 1 347.572 4.505 50 0 EJAAMO Cc1ccsc1C[N@@H+](C)Cc1nc(-c2cccc(C)c2)oc1C ZINC000067713682 215192875 /nfs/dbraw/zinc/19/28/75/215192875.db2.gz BVQLNCMYIPRUGP-UHFFFAOYSA-N 1 1 326.465 4.960 50 0 EJAAMO Cc1ccsc1C[N@H+](C)Cc1nc(-c2cccc(C)c2)oc1C ZINC000067713682 215192878 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CCOc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036347748 213086735 /nfs/dbraw/zinc/08/67/35/213086735.db2.gz ODMZZAKTBBBATO-QHCPKHFHSA-N 1 1 346.474 4.882 50 0 EJAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036347554 213086127 /nfs/dbraw/zinc/08/61/27/213086127.db2.gz TUXPHMURPWFRBA-QHCPKHFHSA-N 1 1 346.474 4.800 50 0 EJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000036347242 213085815 /nfs/dbraw/zinc/08/58/15/213085815.db2.gz CBPXPKGDNUQOOJ-HSZRJFAPSA-N 1 1 346.474 4.800 50 0 EJAAMO Fc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000036348652 213085183 /nfs/dbraw/zinc/08/51/83/213085183.db2.gz QBRHLXBNQNGUEQ-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO Fc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1F ZINC000036348652 213085180 /nfs/dbraw/zinc/08/51/80/213085180.db2.gz QBRHLXBNQNGUEQ-NRFANRHFSA-N 1 1 338.401 4.762 50 0 EJAAMO CCc1ccc2[nH+]cc(C(=O)c3ccccc3)c(N3CCCC3)c2c1 ZINC000036102719 213066738 /nfs/dbraw/zinc/06/67/38/213066738.db2.gz 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c1cc([C@@H]2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)[nH]n1 ZINC000019535739 212039966 /nfs/dbraw/zinc/03/99/66/212039966.db2.gz RPOZBKSVZOZIQK-GOSISDBHSA-N 1 1 333.435 4.582 50 0 EJAAMO c1cc([C@@H]2CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)[nH]n1 ZINC000019535739 212039968 /nfs/dbraw/zinc/03/99/68/212039968.db2.gz RPOZBKSVZOZIQK-GOSISDBHSA-N 1 1 333.435 4.582 50 0 EJAAMO C[C@@H]1C[N@H+](Cc2cccc3ncccc23)Cc2cc(Cl)ccc2O1 ZINC000012167746 211310659 /nfs/dbraw/zinc/31/06/59/211310659.db2.gz IDYYNGCOKPXKFY-CQSZACIVSA-N 1 1 338.838 4.671 50 0 EJAAMO C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)Cc2cc(Cl)ccc2O1 ZINC000012167746 211310661 /nfs/dbraw/zinc/31/06/61/211310661.db2.gz IDYYNGCOKPXKFY-CQSZACIVSA-N 1 1 338.838 4.671 50 0 EJAAMO CC(C)(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000012098149 211291889 /nfs/dbraw/zinc/29/18/89/211291889.db2.gz XJXPPIYWHBZEGX-CYBMUJFWSA-N 1 1 333.426 4.580 50 0 EJAAMO CC(C)=CC[C@]1(CO)CCC[N@@H+](Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC000091534941 218018999 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COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OCc1ccccc1 ZINC000004987712 210351580 /nfs/dbraw/zinc/35/15/80/210351580.db2.gz RVJRKJHWOFRELA-HDICACEKSA-N 1 1 339.479 4.752 50 0 EJAAMO CCOc1cccc(C[NH2+]Cc2ccco2)c1OCc1ccccc1 ZINC000004942934 210333781 /nfs/dbraw/zinc/33/37/81/210333781.db2.gz KOYCNZMJAJXLBP-UHFFFAOYSA-N 1 1 337.419 4.547 50 0 EJAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)no1 ZINC000215137728 535370151 /nfs/dbraw/zinc/37/01/51/535370151.db2.gz GBCABRRZHIGIHX-INIZCTEOSA-N 1 1 342.468 4.587 50 0 EJAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)s2)no1 ZINC000215137728 535370153 /nfs/dbraw/zinc/37/01/53/535370153.db2.gz GBCABRRZHIGIHX-INIZCTEOSA-N 1 1 342.468 4.587 50 0 EJAAMO Cc1cc(Nc2ccc3c(c2)OCCO3)c2cc(Cl)ccc2[nH+]1 ZINC000000136913 563240757 /nfs/dbraw/zinc/24/07/57/563240757.db2.gz GMBAOUBLIFVPAH-UHFFFAOYSA-N 1 1 326.783 4.711 50 0 EJAAMO Cc1ccc2[nH+]c(C)c3c(c2c1)O[C@H]([C@@](C)(Cl)Br)C3 ZINC000000436072 563312822 /nfs/dbraw/zinc/31/28/22/563312822.db2.gz XAIFIFDYGKGPIJ-DZGCQCFKSA-N 1 1 340.648 4.505 50 0 EJAAMO C[N@H+]1CCC[C@@H](OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 ZINC000000459958 563326085 /nfs/dbraw/zinc/32/60/85/563326085.db2.gz LIXBXGQITYSGOE-GOSISDBHSA-N 1 1 331.500 4.533 50 0 EJAAMO Cc1cc(Nc2ccccc2O)c2cc(Br)ccc2[nH+]1 ZINC000000620041 563361654 /nfs/dbraw/zinc/36/16/54/563361654.db2.gz SJQLYCBNSCYSIT-UHFFFAOYSA-N 1 1 329.197 4.755 50 0 EJAAMO CSc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000584904375 563602022 /nfs/dbraw/zinc/60/20/22/563602022.db2.gz TYNSPCQSRXPYIG-LEWJYISDSA-N 1 1 344.568 4.637 50 0 EJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](C4CCCC4)C3)ccc2c1 ZINC000012431161 563660761 /nfs/dbraw/zinc/66/07/61/563660761.db2.gz JNSVKSRNLAOUJI-IBGZPJMESA-N 1 1 337.463 4.686 50 0 EJAAMO CC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012577681 563663849 /nfs/dbraw/zinc/66/38/49/563663849.db2.gz WKMVETIQZLPUOI-UHFFFAOYSA-N 1 1 345.446 4.796 50 0 EJAAMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000012992652 563682626 /nfs/dbraw/zinc/68/26/26/563682626.db2.gz FJLKKRPPIISOIZ-KRWDZBQOSA-N 1 1 332.447 4.607 50 0 EJAAMO COc1cc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000032751336 563724458 /nfs/dbraw/zinc/72/44/58/563724458.db2.gz TVLSPUUKQVLXNZ-QGZVFWFLSA-N 1 1 347.405 4.806 50 0 EJAAMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000032843159 563761344 /nfs/dbraw/zinc/76/13/44/563761344.db2.gz VPAVAVINIUKVBX-CYBMUJFWSA-N 1 1 345.443 4.563 50 0 EJAAMO Clc1ccc2c(NCc3ccccc3Cn3cccn3)cc[nH+]c2c1 ZINC000032853581 563763108 /nfs/dbraw/zinc/76/31/08/563763108.db2.gz VNDYVQGFAUVMQO-UHFFFAOYSA-N 1 1 348.837 4.745 50 0 EJAAMO CCc1ccc(-c2noc(C[NH2+][C@@H](c3ccccc3)C(C)C)n2)cc1 ZINC000024982050 563878927 /nfs/dbraw/zinc/87/89/27/563878927.db2.gz YMXYWGQRZNHGDI-HXUWFJFHSA-N 1 1 335.451 4.786 50 0 EJAAMO Cc1ccc2c(C[N@H+]3CCC[C@H]3c3cccs3)cc(=O)oc2c1 ZINC000025423995 563884619 /nfs/dbraw/zinc/88/46/19/563884619.db2.gz OEUBNDWFXOQMBG-INIZCTEOSA-N 1 1 325.433 4.500 50 0 EJAAMO C[N@H+](CC(=O)c1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 ZINC000025679423 563887331 /nfs/dbraw/zinc/88/73/31/563887331.db2.gz PBSOJECBAHLJDJ-UHFFFAOYSA-N 1 1 328.415 4.636 50 0 EJAAMO C[N@@H+](CC(=O)c1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 ZINC000025679423 563887334 /nfs/dbraw/zinc/88/73/34/563887334.db2.gz PBSOJECBAHLJDJ-UHFFFAOYSA-N 1 1 328.415 4.636 50 0 EJAAMO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000029486836 563906785 /nfs/dbraw/zinc/90/67/85/563906785.db2.gz FZINIYDUDKRNLP-QGZVFWFLSA-N 1 1 339.826 4.509 50 0 EJAAMO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000029486836 563906786 /nfs/dbraw/zinc/90/67/86/563906786.db2.gz FZINIYDUDKRNLP-QGZVFWFLSA-N 1 1 339.826 4.509 50 0 EJAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029483166 563906805 /nfs/dbraw/zinc/90/68/05/563906805.db2.gz QSELXJPKDKYPSU-FQEVSTJZSA-N 1 1 336.479 4.676 50 0 EJAAMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018629 563914773 /nfs/dbraw/zinc/91/47/73/563914773.db2.gz 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