smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000054531215 214244064 /nfs/dbraw/zinc/24/40/64/214244064.db2.gz ZEZZCKBEJABUKI-UHFFFAOYSA-N 1 0 344.458 4.621 50 0 EJAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(Cl)cc3)n2C)cc1C ZINC000004678731 210244673 /nfs/dbraw/zinc/24/46/73/210244673.db2.gz APXBCLPACYAOKL-UHFFFAOYSA-N 1 0 325.843 4.969 50 0 EJAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(CC)cc3)n2C)cc1 ZINC000004679005 210244366 /nfs/dbraw/zinc/24/43/66/210244366.db2.gz DFOVXTRGCQKUCV-UHFFFAOYSA-N 1 0 335.451 4.660 50 0 EJAARO Clc1ccccc1COc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000004168201 210138017 /nfs/dbraw/zinc/13/80/17/210138017.db2.gz DKLFBHXUTPRJMN-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)C1CCCCC1 ZINC000003348169 210014929 /nfs/dbraw/zinc/01/49/29/210014929.db2.gz VIGUFBWERMJIAM-LLVKDONJSA-N 1 0 329.271 4.585 50 0 EJAARO Cc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(-c2ccccc2)nn1 ZINC000067755154 215202620 /nfs/dbraw/zinc/20/26/20/215202620.db2.gz VNDRBEVDALBQNW-UHFFFAOYSA-N 1 0 345.446 4.840 50 0 EJAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000067946915 215255660 /nfs/dbraw/zinc/25/56/60/215255660.db2.gz HUNZIKNYEFDPFT-KRWDZBQOSA-N 1 0 342.446 4.589 50 0 EJAARO COc1ccc([C@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)cc1 ZINC000001808429 209797579 /nfs/dbraw/zinc/79/75/79/209797579.db2.gz KGMHFIBEEIRSCJ-HXUWFJFHSA-N 1 0 335.447 4.794 50 0 biogenic EJAARO Cc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019229264 202001441 /nfs/dbraw/zinc/00/14/41/202001441.db2.gz HOALIXAEBHDZBJ-KRWDZBQOSA-N 1 0 337.492 4.826 50 0 EJAARO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1Br ZINC000037105975 213132645 /nfs/dbraw/zinc/13/26/45/213132645.db2.gz DHYHUZYNEYWXPK-RYUDHWBXSA-N 1 0 338.245 4.771 50 0 EJAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347245 213086484 /nfs/dbraw/zinc/08/64/84/213086484.db2.gz GYVRUFQUHMBACU-QFIPXVFZSA-N 1 0 334.438 4.931 50 0 EJAARO CC(C)CC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000036167303 213073842 /nfs/dbraw/zinc/07/38/42/213073842.db2.gz BZJSNQIIXJXKDL-SMOSDQRPSA-N 1 0 328.500 4.601 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)s2)cc1O ZINC000033087153 202249160 /nfs/dbraw/zinc/24/91/60/202249160.db2.gz LORBOIIYIXMRSN-INIZCTEOSA-N 1 0 331.481 4.888 50 0 EJAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2cccc3cccnc32)c1 ZINC000072150962 216039940 /nfs/dbraw/zinc/03/99/40/216039940.db2.gz XHCDZLPSBKKWAG-LJQANCHMSA-N 1 0 332.447 4.682 50 0 EJAARO CC(C)Cn1cncc1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072153973 216042428 /nfs/dbraw/zinc/04/24/28/216042428.db2.gz GAHAWWPHPAPNQE-LJQANCHMSA-N 1 0 343.490 4.523 50 0 EJAARO CCCCCc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072432037 216225400 /nfs/dbraw/zinc/22/54/00/216225400.db2.gz FMDLINMTPSCEEK-UHFFFAOYSA-N 1 0 343.902 4.532 50 0 EJAARO COc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccco2)cc1 ZINC000002154701 201359328 /nfs/dbraw/zinc/35/93/28/201359328.db2.gz MCKSLWVUZLNLJF-HXUWFJFHSA-N 1 0 335.447 4.794 50 0 biogenic EJAARO COc1ccc(CC[N@H+](C)C/C=C(\C)CCC=C(C)C)cc1OC ZINC000023282191 212366297 /nfs/dbraw/zinc/36/62/97/212366297.db2.gz DDHCGUUNSTXNGE-LDADJPATSA-N 1 0 331.500 4.871 50 0 EJAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccco1 ZINC000215298625 241117960 /nfs/dbraw/zinc/11/79/60/241117960.db2.gz KVYWKXMZZZJVJN-HXUWFJFHSA-N 1 0 349.478 4.896 50 0 EJAARO CCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1c(C)noc1C)CCC2 ZINC000215939363 241157780 /nfs/dbraw/zinc/15/77/80/241157780.db2.gz GKVZWNQEUKMUGC-LJQANCHMSA-N 1 0 340.467 4.516 50 0 EJAARO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000216205180 241174796 /nfs/dbraw/zinc/17/47/96/241174796.db2.gz VRDVNYDDFBXMFB-SJLPKXTDSA-N 1 0 339.458 4.752 50 0 EJAARO FC1(F)CC[NH+](C[C@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000216321764 241183853 /nfs/dbraw/zinc/18/38/53/241183853.db2.gz HFKJHTDZXTVCFI-LJQANCHMSA-N 1 0 327.418 4.724 50 0 EJAARO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cn(CC)c2ccccc12 ZINC000021720759 212244020 /nfs/dbraw/zinc/24/40/20/212244020.db2.gz FTCKXRXMKHWPRN-IBGZPJMESA-N 1 0 337.467 4.857 50 0 EJAARO CC1CC[NH+](CCCOc2ccc(Br)cc2Cl)CC1 ZINC000003247067 201562373 /nfs/dbraw/zinc/56/23/73/201562373.db2.gz PDSHQZBTONOLJP-UHFFFAOYSA-N 1 0 346.696 4.603 50 0 EJAARO Cc1cc(NCc2cccc3cc[nH]c32)ccc1OCC[NH+]1CCCC1 ZINC000237849775 242822943 /nfs/dbraw/zinc/82/29/43/242822943.db2.gz QTJCZMXCMBRMFT-UHFFFAOYSA-N 1 0 349.478 4.563 50 0 EJAARO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)no1 ZINC000242178828 243012664 /nfs/dbraw/zinc/01/26/64/243012664.db2.gz XBEFWICBYROOJF-AGIUHOORSA-N 1 0 326.362 4.845 50 0 EJAARO CCC[C@@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868907 212180839 /nfs/dbraw/zinc/18/08/39/212180839.db2.gz ZPGXQPDUMYGAJT-XZOQPEGZSA-N 1 0 337.507 4.862 50 0 EJAARO CC(C)[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868864 212179943 /nfs/dbraw/zinc/17/99/43/212179943.db2.gz GIDTWQNIWJDQIL-DHIUTWEWSA-N 1 0 337.507 4.800 50 0 EJAARO Cc1ccc([C@@](O)(C(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000020868921 212179961 /nfs/dbraw/zinc/17/99/61/212179961.db2.gz FQUXLGLVJCAWNS-PKTZIBPZSA-N 1 0 337.507 4.718 50 0 EJAARO Fc1cccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864947 212178324 /nfs/dbraw/zinc/17/83/24/212178324.db2.gz OKQIRETVJSRVTP-LJQANCHMSA-N 1 0 338.451 4.749 50 0 EJAARO Cc1cc(C)c(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)cc1C ZINC000020783774 212171598 /nfs/dbraw/zinc/17/15/98/212171598.db2.gz XWKIVFFXDMUBPM-QGZVFWFLSA-N 1 0 346.478 4.623 50 0 EJAARO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OC1CCCC1 ZINC000020500586 212140571 /nfs/dbraw/zinc/14/05/71/212140571.db2.gz WNCMYSQMCLZEIJ-UHFFFAOYSA-N 1 0 339.479 4.739 50 0 EJAARO CCc1c[nH]nc1C1CC[NH+](Cc2cccc(-c3ccco3)c2)CC1 ZINC000019782119 212066908 /nfs/dbraw/zinc/06/69/08/212066908.db2.gz ALKJVBLGSHBZBE-UHFFFAOYSA-N 1 0 335.451 4.612 50 0 EJAARO COCCC[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC000077524877 203393677 /nfs/dbraw/zinc/39/36/77/203393677.db2.gz WQSZYPXIIBQCEI-OAHLLOKOSA-N 1 0 333.369 4.626 50 0 EJAARO c1ccc(OCC[N@H+](Cc2nc3ccccc3[nH]2)C2CCCCC2)cc1 ZINC000019201953 212004060 /nfs/dbraw/zinc/00/40/60/212004060.db2.gz YMYMZKUTECEJGV-UHFFFAOYSA-N 1 0 349.478 4.777 50 0 EJAARO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1cccnc1 ZINC000078553902 217074765 /nfs/dbraw/zinc/07/47/65/217074765.db2.gz SNZFUDFUDCGXJO-GFCCVEGCSA-N 1 0 327.428 4.503 50 0 EJAARO O=C(CC[C@H]1CCC[N@@H+](C2CCCCCC2)C1)Nc1ccccc1F ZINC000012430678 211378327 /nfs/dbraw/zinc/37/83/27/211378327.db2.gz DAUPPGIDKHZHPJ-QGZVFWFLSA-N 1 0 346.490 4.979 50 0 EJAARO Cc1c([C@H](C)[NH2+]Cc2cc(C)ccc2C)cnn1-c1cccc(F)c1 ZINC000012459813 211388706 /nfs/dbraw/zinc/38/87/06/211388706.db2.gz VGTZBKOADUEPIH-INIZCTEOSA-N 1 0 337.442 4.787 50 0 EJAARO CCc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(OC)cc3)c2C)cc1 ZINC000011880000 211264606 /nfs/dbraw/zinc/26/46/06/211264606.db2.gz PCNOLOYBJADENA-MRXNPFEDSA-N 1 0 349.478 4.603 50 0 EJAARO CCC(CC)c1cc[n+](Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000011157485 211205010 /nfs/dbraw/zinc/20/50/10/211205010.db2.gz WPZXVRBSQYMWGG-UHFFFAOYSA-N 1 0 346.878 4.741 50 0 EJAARO CCc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010371991 211168710 /nfs/dbraw/zinc/16/87/10/211168710.db2.gz SBRHVBKPYIMPFL-UHFFFAOYSA-N 1 0 336.479 4.796 50 0 EJAARO CCc1ccc(/C=C2\C[NH+](C)C/C(=C\c3ccc(CC)cc3)C2O)cc1 ZINC000095093709 218280782 /nfs/dbraw/zinc/28/07/82/218280782.db2.gz OLLXKZAKKAXRMF-HOFJZWJUSA-N 1 0 347.502 4.585 50 0 EJAARO Nc1[nH]c2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH+]1 ZINC000095100107 218281692 /nfs/dbraw/zinc/28/16/92/218281692.db2.gz LPZANDXNFFSJNE-UHFFFAOYSA-N 1 0 328.586 4.898 50 0 EJAARO CCCOc1ccc2[nH]c(C)c(C[NH+](CCC)CCC)c(=O)c2c1 ZINC000008717129 210989986 /nfs/dbraw/zinc/98/99/86/210989986.db2.gz BEANSKRSXAHDCQ-UHFFFAOYSA-N 1 0 330.472 4.660 50 0 EJAARO COc1cc([C@@H](C)[NH2+]Cc2cccc3cccnc32)ccc1SC ZINC000095421287 218362581 /nfs/dbraw/zinc/36/25/81/218362581.db2.gz KDGWIXSNXLLTIC-CQSZACIVSA-N 1 0 338.476 4.816 50 0 EJAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000005019673 210363318 /nfs/dbraw/zinc/36/33/18/210363318.db2.gz YOPWQYPXIUHETA-LBPRGKRZSA-N 1 0 339.888 4.877 50 0 EJAARO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000004989095 210351235 /nfs/dbraw/zinc/35/12/35/210351235.db2.gz MPWOWXODBGEVGT-QGZVFWFLSA-N 1 0 325.452 4.506 50 0 EJAARO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004811637 210282964 /nfs/dbraw/zinc/28/29/64/210282964.db2.gz XLRLAPVHTDNJAC-UHFFFAOYSA-N 1 0 346.474 4.614 50 0 EJAARO CC(C)C[C@H](C)[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000048155952 132425814 /nfs/dbraw/zinc/42/58/14/132425814.db2.gz FBOQFQSSTVTIIV-INIZCTEOSA-N 1 0 343.540 4.803 50 0 EJAARO c1ccc(CC[NH+]2CCN(c3ccc(C4CCCC4)cc3)CC2)cc1 ZINC000004115709 135662252 /nfs/dbraw/zinc/66/22/52/135662252.db2.gz PZGUBDJZDQGKRD-UHFFFAOYSA-N 1 0 334.507 4.709 50 0 EJAARO CC(C)(C)c1cc(Br)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770454 563924844 /nfs/dbraw/zinc/92/48/44/563924844.db2.gz RGEOIXPRHQLIFV-CQSZACIVSA-N 1 0 340.305 4.658 50 0 EJAARO CC[C@@H](C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770371 563924864 /nfs/dbraw/zinc/92/48/64/563924864.db2.gz GVBIJYSQAGRSAT-ZIAGYGMSSA-N 1 0 340.305 4.731 50 0 EJAARO C[C@H]([NH2+][C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000092769334 564089081 /nfs/dbraw/zinc/08/90/81/564089081.db2.gz IAUZZTXZEUXUMU-MGPLVRAMSA-N 1 0 328.214 4.517 50 0 EJAARO C[C@H](C[NH+]1CCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000000210670 563260782 /nfs/dbraw/zinc/26/07/82/563260782.db2.gz YVDOBJABOBRJAQ-MRXNPFEDSA-N 1 0 345.527 4.923 50 0 EJAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1 ZINC000001809909 563413099 /nfs/dbraw/zinc/41/30/99/563413099.db2.gz APRDXPRFHJTFDV-RTWAWAEBSA-N 1 0 327.468 4.676 50 0 biogenic EJAARO CC1(C)C[C@](CC[NH2+]Cc2ccccc2F)(c2ccccc2)CCO1 ZINC000001831180 563413777 /nfs/dbraw/zinc/41/37/77/563413777.db2.gz HFBMKKUCRLRSDJ-JOCHJYFZSA-N 1 0 341.470 4.832 50 0 EJAARO CSc1ccccc1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515003 563435967 /nfs/dbraw/zinc/43/59/67/563435967.db2.gz ORCIEPKAXJAJCO-UHFFFAOYSA-N 1 0 325.477 4.625 50 0 EJAARO CSc1ccccc1C(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000002515500 563436604 /nfs/dbraw/zinc/43/66/04/563436604.db2.gz KQHOQRMGDYFTHD-UHFFFAOYSA-N 1 0 325.477 4.625 50 0 EJAARO O=C(c1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000002515580 563437164 /nfs/dbraw/zinc/43/71/64/563437164.db2.gz BNSRCDYGKFIWRV-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO CCCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(C)c1OC ZINC000002893931 563462386 /nfs/dbraw/zinc/46/23/86/563462386.db2.gz JKXUDHYACSIVQN-UHFFFAOYSA-N 1 0 327.468 4.815 50 0 EJAARO c1ccc(N2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000004980245 563516546 /nfs/dbraw/zinc/51/65/46/563516546.db2.gz QJCMEAFSUJYCPC-UHFFFAOYSA-N 1 0 340.470 4.580 50 0 EJAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccncc2)cc1 ZINC000006672002 563577972 /nfs/dbraw/zinc/57/79/72/563577972.db2.gz PTULWTCPJCOXCV-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccn3)cc2)cc1 ZINC000006701454 563579650 /nfs/dbraw/zinc/57/96/50/563579650.db2.gz RTEHTMVOSUREET-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO Clc1ccccc1COc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000006703254 563580805 /nfs/dbraw/zinc/58/08/05/563580805.db2.gz GPAHNRPLVORPEM-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO CSc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000584904377 563602103 /nfs/dbraw/zinc/60/21/03/563602103.db2.gz TYNSPCQSRXPYIG-SFTDATJTSA-N 1 0 344.568 4.637 50 0 EJAARO Clc1ccccc1COc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000007523585 563603889 /nfs/dbraw/zinc/60/38/89/563603889.db2.gz UDNUQQWJYWDILF-UHFFFAOYSA-N 1 0 327.811 4.802 50 0 EJAARO CCOCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524493 563604376 /nfs/dbraw/zinc/60/43/76/563604376.db2.gz UZCKEUQZSIIPLV-UHFFFAOYSA-N 1 0 328.239 4.770 50 0 EJAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007538635 563605158 /nfs/dbraw/zinc/60/51/58/563605158.db2.gz BADHCEPWNQKWNZ-UHFFFAOYSA-N 1 0 327.811 4.898 50 0 EJAARO O=C(Nc1cccc(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010362793 563647698 /nfs/dbraw/zinc/64/76/98/563647698.db2.gz LDTCLJPBRSFTPI-UHFFFAOYSA-N 1 0 328.843 4.578 50 0 EJAARO CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012466564 563661439 /nfs/dbraw/zinc/66/14/39/563661439.db2.gz JFISWJCPUZZMNN-QGZVFWFLSA-N 1 0 328.456 4.732 50 0 EJAARO CSc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000012595913 563664709 /nfs/dbraw/zinc/66/47/09/563664709.db2.gz WMZBWIORRJQFOR-OAHLLOKOSA-N 1 0 337.492 4.753 50 0 EJAARO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000014199148 563749749 /nfs/dbraw/zinc/74/97/49/563749749.db2.gz ARLUJHUOHHKIOC-OAQYLSRUSA-N 1 0 344.414 4.517 50 0 EJAARO Cc1cccc(NC(=O)CCC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000015070021 563775927 /nfs/dbraw/zinc/77/59/27/563775927.db2.gz QRHWFSGFRBHOBQ-HXUWFJFHSA-N 1 0 340.511 4.782 50 0 EJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000015866932 563798183 /nfs/dbraw/zinc/79/81/83/563798183.db2.gz NFEPXTYBSCDGCW-OAHLLOKOSA-N 1 0 338.373 4.901 50 0 EJAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3cccc(C)c3C)CC2)o1 ZINC000022077662 563862210 /nfs/dbraw/zinc/86/22/10/563862210.db2.gz IYGXRHMEUZTQRP-KRWDZBQOSA-N 1 0 326.484 4.521 50 0 EJAARO COc1ccc(C[N@H+](Cc2cc(-c3ccccc3)no2)C2CC2)cc1 ZINC000029699611 563907819 /nfs/dbraw/zinc/90/78/19/563907819.db2.gz OSKOLZQNXRALDL-UHFFFAOYSA-N 1 0 334.419 4.515 50 0 EJAARO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c1OC ZINC000033087259 563915157 /nfs/dbraw/zinc/91/51/57/563915157.db2.gz UNFPSEVGQWBERT-INIZCTEOSA-N 1 0 331.481 4.883 50 0 EJAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042771156 563924928 /nfs/dbraw/zinc/92/49/28/563924928.db2.gz SCQHWTFJYUISBG-OAHLLOKOSA-N 1 0 329.871 4.654 50 0 EJAARO CCC(CC)[NH2+]C1CCN(c2cccc(-c3cscn3)c2)CC1 ZINC000048428287 563930370 /nfs/dbraw/zinc/93/03/70/563930370.db2.gz YWGRLGGRCMODIU-UHFFFAOYSA-N 1 0 329.513 4.557 50 0 EJAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F ZINC000058160544 563938286 /nfs/dbraw/zinc/93/82/86/563938286.db2.gz RAXKHNASNHXVTP-INIZCTEOSA-N 1 0 348.421 4.532 50 0 EJAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000004678465 563963761 /nfs/dbraw/zinc/96/37/61/563963761.db2.gz ODRAZRNHVFAOJB-UHFFFAOYSA-N 1 0 331.341 4.718 50 0 EJAARO C[NH+]1CCC(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000071754990 563965297 /nfs/dbraw/zinc/96/52/97/563965297.db2.gz HKSYNZXHNBXXDB-UHFFFAOYSA-N 1 0 340.492 4.508 50 0 EJAARO O=C(c1ccccc1)[C@H](C[NH+]1CC2CCC(CC2)C1)c1ccccc1 ZINC000071770254 563965604 /nfs/dbraw/zinc/96/56/04/563965604.db2.gz YLYQJFCQOOVFGR-OBFZPWGMSA-N 1 0 333.475 4.775 50 0 EJAARO C[C@@H]1C[N@@H+](CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000016247821 563976179 /nfs/dbraw/zinc/97/61/79/563976179.db2.gz KJVYOTNIJSFCAY-KDURUIRLSA-N 1 0 339.479 4.622 50 0 EJAARO COc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)c1OC ZINC000060831724 563976244 /nfs/dbraw/zinc/97/62/44/563976244.db2.gz SQKMQQFXRAJFEA-NSHDSACASA-N 1 0 340.250 4.861 50 0 EJAARO Cc1cncc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000408514355 563992826 /nfs/dbraw/zinc/99/28/26/563992826.db2.gz ZKDZSGMHWPBTFS-HXUWFJFHSA-N 1 0 337.854 4.512 50 0 EJAARO C[C@H]([NH2+][C@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000252486196 563997755 /nfs/dbraw/zinc/99/77/55/563997755.db2.gz GNTTXLPMWGIIQE-JGWMJADOSA-N 1 0 349.446 4.504 50 0 EJAARO Clc1ccc2nc(-c3cccnc3)c(NC3CCCCC3)n2c1 ZINC000000412455 563998040 /nfs/dbraw/zinc/99/80/40/563998040.db2.gz YCNNEGSWFXUJIB-UHFFFAOYSA-N 1 0 326.831 4.794 50 0 EJAARO C[C@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1 ZINC000005350373 564003020 /nfs/dbraw/zinc/00/30/20/564003020.db2.gz JARGVZLPOWSQTB-UTKZUKDTSA-N 1 0 327.468 4.675 50 0 EJAARO CNc1ccc(C(F)(F)F)cc1Sc1ccccc1C[NH+](C)C ZINC000005738160 564024735 /nfs/dbraw/zinc/02/47/35/564024735.db2.gz UVGMWBWVNDBJIP-UHFFFAOYSA-N 1 0 340.414 4.960 50 0 EJAARO O=C(CC[N@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1Cl ZINC000048299959 564030831 /nfs/dbraw/zinc/03/08/31/564030831.db2.gz XMRGSJWNIDEYAX-UHFFFAOYSA-N 1 0 346.858 4.706 50 0 EJAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000225605926 564048313 /nfs/dbraw/zinc/04/83/13/564048313.db2.gz GUTFVXSRNNWZBU-UNEWFSDZSA-N 1 0 343.433 4.677 50 0 EJAARO C[NH+](C)CCO[C@@H]1c2ccccc2CCc2ccc3ccccc3c21 ZINC000000971592 564053772 /nfs/dbraw/zinc/05/37/72/564053772.db2.gz BWDSMWZBQJYVLD-HSZRJFAPSA-N 1 0 331.459 4.606 50 0 EJAARO Cc1ccc(C(C)C)cc1OCCCCCC[NH2+]C[C@@H]1CCCO1 ZINC000005856616 564056639 /nfs/dbraw/zinc/05/66/39/564056639.db2.gz GNRNPSDLQZAUIU-FQEVSTJZSA-N 1 0 333.516 4.826 50 0 EJAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012676778 564062522 /nfs/dbraw/zinc/06/25/22/564062522.db2.gz YOIFKBVZIUEIIB-SGTLLEGYSA-N 1 0 346.833 4.547 50 0 EJAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(Cl)cc3)n2C)cc1 ZINC000004679004 564066041 /nfs/dbraw/zinc/06/60/41/564066041.db2.gz AGNMLOQGLXMSCS-UHFFFAOYSA-N 1 0 341.842 4.751 50 0 EJAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000084070288 564066137 /nfs/dbraw/zinc/06/61/37/564066137.db2.gz RPHWWOWWZLDZEY-PXNSSMCTSA-N 1 0 344.458 4.656 50 0 EJAARO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012767385 564068249 /nfs/dbraw/zinc/06/82/49/564068249.db2.gz YZPQRRYNVAHOEH-ZWKOTPCHSA-N 1 0 346.474 4.538 50 0 EJAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000075093153 564079951 /nfs/dbraw/zinc/07/99/51/564079951.db2.gz LDVDTIYGAJOHTI-MRXNPFEDSA-N 1 0 331.463 4.806 50 0 EJAARO O[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000075283228 564081526 /nfs/dbraw/zinc/08/15/26/564081526.db2.gz QZLPISWAPZYBBS-NHCUHLMSSA-N 1 0 337.850 4.905 50 0 EJAARO CCOC(=O)CCCCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000075284116 564081564 /nfs/dbraw/zinc/08/15/64/564081564.db2.gz ZOQTUFDZFNAIOD-UHFFFAOYSA-N 1 0 339.479 4.879 50 0 EJAARO Clc1cc2c(s1)CC[C@@H]2[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912190 564087012 /nfs/dbraw/zinc/08/70/12/564087012.db2.gz SGLNLKHZTJSSFT-AWEZNQCLSA-N 1 0 334.872 4.505 50 0 EJAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008700854 564087267 /nfs/dbraw/zinc/08/72/67/564087267.db2.gz OFKVXESFRKEOJJ-UHFFFAOYSA-N 1 0 326.827 4.534 50 0 EJAARO COc1ccc([C@@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)cc1 ZINC000001808427 564087890 /nfs/dbraw/zinc/08/78/90/564087890.db2.gz KGMHFIBEEIRSCJ-FQEVSTJZSA-N 1 0 335.447 4.794 50 0 biogenic EJAARO CCCOc1ccc(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001831626 564088763 /nfs/dbraw/zinc/08/87/63/564088763.db2.gz GMVQRRVCNWDLLT-OAQYLSRUSA-N 1 0 337.463 4.538 50 0 EJAARO CCCCN(Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1 ZINC000006661210 564095579 /nfs/dbraw/zinc/09/55/79/564095579.db2.gz JYRWEDYQNNECMV-UHFFFAOYSA-N 1 0 335.451 4.847 50 0 EJAARO CCc1c(C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)csc1C ZINC000006797733 564098063 /nfs/dbraw/zinc/09/80/63/564098063.db2.gz MMCWLAUYJWFLFH-MRXNPFEDSA-N 1 0 328.525 4.638 50 0 EJAARO CN(C)c1ccc([C@@H]2C[NH2+]C3(CCCC3)c3[nH]c4ccccc4c32)cc1 ZINC000006831375 564099175 /nfs/dbraw/zinc/09/91/75/564099175.db2.gz BLLNFIQAEYQQEA-IBGZPJMESA-N 1 0 345.490 4.738 50 0 EJAARO CC(C)[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cc2ccccc2o1 ZINC000170066031 564105169 /nfs/dbraw/zinc/10/51/69/564105169.db2.gz KPLQFLFKLDPIEF-ZHRRBRCNSA-N 1 0 348.446 4.846 50 0 EJAARO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCCCC2)c1 ZINC000007377988 564107106 /nfs/dbraw/zinc/10/71/06/564107106.db2.gz GYGIQUSJQTVWIS-OAQYLSRUSA-N 1 0 336.479 4.859 50 0 EJAARO c1coc([C@@H](CC[NH2+]Cc2ccc3c(c2)OCO3)Cc2ccccc2)c1 ZINC000002137579 564118869 /nfs/dbraw/zinc/11/88/69/564118869.db2.gz MYFUARFSKYJVSQ-IBGZPJMESA-N 1 0 349.430 4.515 50 0 biogenic EJAARO COc1ccc(C[NH2+]CC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002157202 564119544 /nfs/dbraw/zinc/11/95/44/564119544.db2.gz FGCOYXVIXSZYRW-UYAOXDASSA-N 1 0 333.516 4.652 50 0 biogenic EJAARO CCc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)oc1-c1ccccc1 ZINC000252538738 564120622 /nfs/dbraw/zinc/12/06/22/564120622.db2.gz NGCVTPQROISFPX-WQCNXYOZSA-N 1 0 340.467 4.512 50 0 EJAARO c1ccc([C@H](Cc2ccccn2)[NH2+]Cc2cccc3cccnc32)cc1 ZINC000390834444 564138926 /nfs/dbraw/zinc/13/89/26/564138926.db2.gz YWQCHSCMHQRJKR-QFIPXVFZSA-N 1 0 339.442 4.703 50 0 EJAARO C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000095967223 564143049 /nfs/dbraw/zinc/14/30/49/564143049.db2.gz DVLREDXKWJKQDJ-XDHUDOTRSA-N 1 0 341.520 4.587 50 0 EJAARO CC[NH+](CC)CCOc1ccc(-c2nc3ccccc3s2)cc1 ZINC000096027228 564145014 /nfs/dbraw/zinc/14/50/14/564145014.db2.gz RLJCBYUHFLZGQC-UHFFFAOYSA-N 1 0 326.465 4.684 50 0 EJAARO CCCC[N@@H+]1Cc2ccc(NC(=O)/C=C\c3cccs3)cc2C1 ZINC000096315838 564146756 /nfs/dbraw/zinc/14/67/56/564146756.db2.gz RMONFMYBVRGADC-HJWRWDBZSA-N 1 0 326.465 4.516 50 0 EJAARO CC1CC[NH+](CCCCCOc2ccccc2Br)CC1 ZINC000002503022 564150071 /nfs/dbraw/zinc/15/00/71/564150071.db2.gz ASLBWPAEQFJRCL-UHFFFAOYSA-N 1 0 340.305 4.730 50 0 EJAARO Cc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1C ZINC000057463285 564154403 /nfs/dbraw/zinc/15/44/03/564154403.db2.gz BBSGRBSENAGVLN-HXUWFJFHSA-N 1 0 333.431 4.747 50 0 EJAARO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3c3ccccc3)c2cc1C ZINC000057481543 564154478 /nfs/dbraw/zinc/15/44/78/564154478.db2.gz QZROIFWKGVEPBX-HXUWFJFHSA-N 1 0 333.431 4.747 50 0 EJAARO CCOc1ccc2c(c1)sc(=S)n2CN(C)Cc1ccccc1 ZINC000057497686 564154532 /nfs/dbraw/zinc/15/45/32/564154532.db2.gz UVZZYIVLTGQYHD-UHFFFAOYSA-N 1 0 344.505 4.920 50 0 EJAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2c(C)cc(C)cc2C)CC1 ZINC000003060253 564154872 /nfs/dbraw/zinc/15/48/72/564154872.db2.gz FKKUKHGYUXYDED-QGZVFWFLSA-N 1 0 347.572 4.503 50 0 EJAARO C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000058160715 564157854 /nfs/dbraw/zinc/15/78/54/564157854.db2.gz XKLYXBCXPBHGGD-VXGBXAGGSA-N 1 0 337.250 4.671 50 0 EJAARO CC1(C)C[C@@H]([NH2+]CC[C@@H](Cc2ccccc2)c2ccccc2)CCO1 ZINC000032090556 564160663 /nfs/dbraw/zinc/16/06/63/564160663.db2.gz APLNCVHBUSGQIW-VXKWHMMOSA-N 1 0 337.507 4.950 50 0 EJAARO Cc1cc2c(ncnc2NCC[C@H]2CCCC[N@@H+]2C2CCCC2)s1 ZINC000670460737 564161137 /nfs/dbraw/zinc/16/11/37/564161137.db2.gz KSRGWPQEEFWGJD-MRXNPFEDSA-N 1 0 344.528 4.599 50 0 EJAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+]1CCCCCC1 ZINC000008717965 564166855 /nfs/dbraw/zinc/16/68/55/564166855.db2.gz HNINSSULKLTUIO-UHFFFAOYSA-N 1 0 342.483 4.660 50 0 EJAARO Cn1nccc1[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000071808727 564175561 /nfs/dbraw/zinc/17/55/61/564175561.db2.gz WDUDFPWQJNLLKU-ZDUSSCGKSA-N 1 0 345.899 4.668 50 0 EJAARO CC[C@@H]([NH2+]Cc1cnc(-c2cccc(C)c2)nc1)c1ccc(F)cc1 ZINC000055088031 214270289 /nfs/dbraw/zinc/27/02/89/214270289.db2.gz JZZIOSHUBLGTQI-HXUWFJFHSA-N 1 0 335.426 4.832 50 0 EJAARO CCCCC(=O)NC1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000056284850 214368025 /nfs/dbraw/zinc/36/80/25/214368025.db2.gz IYPSDTIZQGYZCG-KRWDZBQOSA-N 1 0 338.495 4.672 50 0 EJAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000056851986 214392080 /nfs/dbraw/zinc/39/20/80/214392080.db2.gz LEASASBMIQNXAC-JKSUJKDBSA-N 1 0 348.446 4.526 50 0 EJAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(Cl)c3)n2C)cc1 ZINC000004678933 210244525 /nfs/dbraw/zinc/24/45/25/210244525.db2.gz UWYJQBYGVLNZPM-UHFFFAOYSA-N 1 0 341.842 4.751 50 0 EJAARO Cc1ccc(-c2c[nH+]c(NCc3c(F)cccc3Cl)n2C)cc1 ZINC000004678414 210244338 /nfs/dbraw/zinc/24/43/38/210244338.db2.gz QQTRLGFVPIADFG-UHFFFAOYSA-N 1 0 329.806 4.800 50 0 EJAARO CC(C)([NH2+]Cc1ccc(OCc2cscn2)cc1)c1ccccc1 ZINC000048375446 213935157 /nfs/dbraw/zinc/93/51/57/213935157.db2.gz INRYWXYJFLQFJT-UHFFFAOYSA-N 1 0 338.476 4.747 50 0 EJAARO O=C(CCCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000004122133 210126696 /nfs/dbraw/zinc/12/66/96/210126696.db2.gz RBURCGBYRAOMLD-IBGZPJMESA-N 1 0 325.427 4.668 50 0 EJAARO c1ccc(C(CC[NH2+][C@H]2COc3ccccc32)c2ccccc2)cc1 ZINC000004072723 210113422 /nfs/dbraw/zinc/11/34/22/210113422.db2.gz NAGLGNADMULCCZ-QFIPXVFZSA-N 1 0 329.443 4.932 50 0 EJAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc2ncccc2c1 ZINC000067774777 215210439 /nfs/dbraw/zinc/21/04/39/215210439.db2.gz KJNHRNYDANSGGM-UHFFFAOYSA-N 1 0 334.419 4.632 50 0 EJAARO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1C ZINC000040086371 213260160 /nfs/dbraw/zinc/26/01/60/213260160.db2.gz GKMRLKLSANBXJK-QFIPXVFZSA-N 1 0 345.490 4.715 50 0 EJAARO COc1ccc(C[C@H](C)[NH2+]C2c3ccccc3-c3ccccc32)cc1 ZINC000023280849 202101438 /nfs/dbraw/zinc/10/14/38/202101438.db2.gz TUGATIDIHNIJBE-INIZCTEOSA-N 1 0 329.443 4.986 50 0 EJAARO c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(-c3cccnc3)cc2)nc1 ZINC000072120736 216014318 /nfs/dbraw/zinc/01/43/18/216014318.db2.gz CIJYUNDZWYMQKY-QFIPXVFZSA-N 1 0 329.447 4.871 50 0 EJAARO COc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc(Cl)c1OC ZINC000072670679 202364958 /nfs/dbraw/zinc/36/49/58/202364958.db2.gz LQOBCQKISBGRIP-LLVKDONJSA-N 1 0 340.250 4.861 50 0 EJAARO c1ccc(-c2ccc(C[NH+]3CCC(c4ccncc4)CC3)cc2)nc1 ZINC000072477144 216255632 /nfs/dbraw/zinc/25/56/32/216255632.db2.gz RWEIWSLSTGFFHJ-UHFFFAOYSA-N 1 0 329.447 4.523 50 0 EJAARO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229789382 201043691 /nfs/dbraw/zinc/04/36/91/201043691.db2.gz RPHWWOWWZLDZEY-YLJYHZDGSA-N 1 0 344.458 4.656 50 0 EJAARO FC(F)(F)CC[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000023543949 212381625 /nfs/dbraw/zinc/38/16/25/212381625.db2.gz RHCVYMANFFAJEO-UHFFFAOYSA-N 1 0 348.412 4.864 50 0 EJAARO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)no1 ZINC000242178829 243011725 /nfs/dbraw/zinc/01/17/25/243011725.db2.gz XBEFWICBYROOJF-UPJWGTAASA-N 1 0 326.362 4.845 50 0 EJAARO CCc1ccc([C@@](O)(CC)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000020868881 212180455 /nfs/dbraw/zinc/18/04/55/212180455.db2.gz YHMXGSALRPNXOL-GOTSBHOMSA-N 1 0 337.507 4.726 50 0 EJAARO CCc1ccc([C@](O)(CC)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000020868891 212180115 /nfs/dbraw/zinc/18/01/15/212180115.db2.gz YHMXGSALRPNXOL-DHIUTWEWSA-N 1 0 337.507 4.726 50 0 EJAARO CC(C)CC[C@@H](CC[NH2+]C1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000006670460 201689599 /nfs/dbraw/zinc/68/95/99/201689599.db2.gz NCFHPFLZMUSCGW-SFHVURJKSA-N 1 0 336.951 4.934 50 0 EJAARO CNc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cs1 ZINC000244828609 243088073 /nfs/dbraw/zinc/08/80/73/243088073.db2.gz TZHOUAQUMRFWPZ-ACHSLPGTSA-N 1 0 345.487 4.543 50 0 EJAARO CCCOc1cc(Cl)c(C[NH2+]CCc2ccccc2)cc1OCC ZINC000020512376 212142855 /nfs/dbraw/zinc/14/28/55/212142855.db2.gz CIRNUPCPNUNJFG-UHFFFAOYSA-N 1 0 347.886 4.860 50 0 EJAARO Cc1cccc(N2CC[N@@H+](Cc3csc4c3CCCC4)C[C@H]2C)c1 ZINC000020514301 212142332 /nfs/dbraw/zinc/14/23/32/212142332.db2.gz QMBQRZDGSHQVMY-QGZVFWFLSA-N 1 0 340.536 4.646 50 0 EJAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(C)C)cc1)[NH2+]CC2 ZINC000020506924 212141186 /nfs/dbraw/zinc/14/11/86/212141186.db2.gz ZESXVLFZJSACQA-JOCHJYFZSA-N 1 0 339.479 4.843 50 0 EJAARO C[C@H]1C[NH+](CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 ZINC000020167513 212108249 /nfs/dbraw/zinc/10/82/49/212108249.db2.gz XLYSZANINBJJJD-GJZGRUSLSA-N 1 0 339.907 4.516 50 0 EJAARO COc1cccc([C@H](C)[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000072309164 203200355 /nfs/dbraw/zinc/20/03/55/203200355.db2.gz OEJHUAJNDSIKGH-HNNXBMFYSA-N 1 0 335.451 4.512 50 0 EJAARO c1ccc(Oc2cccc(CN3CC[NH+](C4CCCC4)CC3)c2)cc1 ZINC000019831924 212073071 /nfs/dbraw/zinc/07/30/71/212073071.db2.gz SZVBLAGYHSTQQQ-UHFFFAOYSA-N 1 0 336.479 4.539 50 0 EJAARO C[C@@H](CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000019633065 212052803 /nfs/dbraw/zinc/05/28/03/212052803.db2.gz HTIRYUDGMBVNBZ-MAIVGLDJSA-N 1 0 334.507 4.511 50 0 EJAARO c1ccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019364675 212021126 /nfs/dbraw/zinc/02/11/26/212021126.db2.gz IGBRRSIHEGCUEN-DEOSSOPVSA-N 1 0 348.534 4.921 50 0 in-vitro EJAARO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000108357136 204259423 /nfs/dbraw/zinc/25/94/23/204259423.db2.gz KRGBXPSUMSLGRE-VMPBMTGNSA-N 1 0 341.520 4.715 50 0 EJAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000019220784 212005687 /nfs/dbraw/zinc/00/56/87/212005687.db2.gz MJCOHUNHULTAFH-FQEVSTJZSA-N 1 0 331.463 4.765 50 0 EJAARO C[C@H](Nc1ccc([NH+]2CCCCCC2)cc1)c1nc(C2CC2)no1 ZINC000078624353 217090057 /nfs/dbraw/zinc/09/00/57/217090057.db2.gz DNPZCRUDIPQSES-AWEZNQCLSA-N 1 0 326.444 4.501 50 0 EJAARO CCC[NH+]1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000012712063 211437328 /nfs/dbraw/zinc/43/73/28/211437328.db2.gz UPIKXWLVJMZMOP-UHFFFAOYSA-N 1 0 336.479 4.723 50 0 EJAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000012385259 211363545 /nfs/dbraw/zinc/36/35/45/211363545.db2.gz MKALWLAOBJAOEA-UHFFFAOYSA-N 1 0 330.859 4.924 50 0 EJAARO CSc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2)cc1 ZINC000012076647 211288510 /nfs/dbraw/zinc/28/85/10/211288510.db2.gz PKTMIMJFRAZBQQ-UHFFFAOYSA-N 1 0 336.460 4.886 50 0 EJAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000012076219 211286430 /nfs/dbraw/zinc/28/64/30/211286430.db2.gz MMWDSHLFUDFQGF-HSZRJFAPSA-N 1 0 349.474 4.640 50 0 EJAARO c1ccc(C[N@@H+](Cc2nc(-c3ccccc3)no2)CC2CCC2)cc1 ZINC000012075737 211286165 /nfs/dbraw/zinc/28/61/65/211286165.db2.gz KCOBUYXIHMDYRF-UHFFFAOYSA-N 1 0 333.435 4.539 50 0 EJAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000011814129 211249627 /nfs/dbraw/zinc/24/96/27/211249627.db2.gz LJUSLOSRJYQGGC-CQSZACIVSA-N 1 0 325.374 4.543 50 0 EJAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000011773592 211246758 /nfs/dbraw/zinc/24/67/58/211246758.db2.gz KNOXYFUYBAWCLE-GJZGRUSLSA-N 1 0 346.421 4.940 50 0 EJAARO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCCc2ccccc21 ZINC000011285345 211210353 /nfs/dbraw/zinc/21/03/53/211210353.db2.gz LXXOHSBPSNWPEM-LJQANCHMSA-N 1 0 336.410 4.990 50 0 EJAARO COc1cc(C[NH2+][C@H](c2cccs2)C(C)C)cc(Cl)c1O ZINC000009503235 211094009 /nfs/dbraw/zinc/09/40/09/211094009.db2.gz VEROLWJPZVKINI-HNNXBMFYSA-N 1 0 325.861 4.603 50 0 EJAARO Cc1ccc([C@H](CC[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c2ccco2)cc1 ZINC000009485879 211091004 /nfs/dbraw/zinc/09/10/04/211091004.db2.gz BGTUPBQBRXSYOP-URVUXULASA-N 1 0 341.495 4.903 50 0 EJAARO C[C@H](C1CCN(c2ccc3cc(Cl)ccc3n2)CC1)[NH+]1CCCC1 ZINC000095382814 218315025 /nfs/dbraw/zinc/31/50/25/218315025.db2.gz GYQOXWIFNSTIPR-OAHLLOKOSA-N 1 0 343.902 4.589 50 0 EJAARO Cc1cc([C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C(C)C)c(C)s1 ZINC000095409647 218346210 /nfs/dbraw/zinc/34/62/10/218346210.db2.gz QYBANGOGCTVYKS-XMSQKQJNSA-N 1 0 335.538 4.589 50 0 EJAARO Cc1cc([C@@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)C(C)C)c(C)s1 ZINC000095409650 218346777 /nfs/dbraw/zinc/34/67/77/218346777.db2.gz QYBANGOGCTVYKS-AVRDEDQJSA-N 1 0 335.538 4.589 50 0 EJAARO Cc1csc([C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C2CC2)n1 ZINC000095418539 218358848 /nfs/dbraw/zinc/35/88/48/218358848.db2.gz SBRJCLHFICGINB-QGZVFWFLSA-N 1 0 343.883 4.894 50 0 EJAARO COc1cc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)ccc1SC ZINC000095419370 218359102 /nfs/dbraw/zinc/35/91/02/218359102.db2.gz CYWWOYIAZAYJRO-CZUORRHYSA-N 1 0 329.465 4.592 50 0 EJAARO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O ZINC000095427039 218369595 /nfs/dbraw/zinc/36/95/95/218369595.db2.gz HZOYGJNXOKTADW-ABAIWWIYSA-N 1 0 336.357 4.534 50 0 EJAARO COc1cccc2cc([C@H](C)[NH2+]C[C@H](C)c3c(C)noc3C)oc21 ZINC000095988120 218494668 /nfs/dbraw/zinc/49/46/68/218494668.db2.gz IDCMKNZMXZBYAQ-RYUDHWBXSA-N 1 0 328.412 4.501 50 0 EJAARO C[C@H](c1nc2ccccc2n1CCOc1ccccc1)[NH+]1CCCCC1 ZINC000006665014 210673896 /nfs/dbraw/zinc/67/38/96/210673896.db2.gz WROIWPZRFNQFBL-GOSISDBHSA-N 1 0 349.478 4.662 50 0 EJAARO Cc1ccc(C(C)C)cc1OCCCCCC[NH2+]C[C@H]1CCCO1 ZINC000005856625 210548798 /nfs/dbraw/zinc/54/87/98/210548798.db2.gz GNRNPSDLQZAUIU-HXUWFJFHSA-N 1 0 333.516 4.826 50 0 EJAARO COc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c(C)c1C ZINC000004983980 210349630 /nfs/dbraw/zinc/34/96/30/210349630.db2.gz SQZXXPFSGNYAKF-UHFFFAOYSA-N 1 0 333.475 4.873 50 0 EJAARO C[C@@H]1CCC[N@H+](CCOc2ccc3ccccc3c2Br)C1 ZINC000004914374 210322164 /nfs/dbraw/zinc/32/21/64/210322164.db2.gz AIMUFYVOHLVFCJ-CQSZACIVSA-N 1 0 348.284 4.713 50 0 EJAARO c1ccc2c(c1)cccc2OCCCCCC[NH2+]C[C@H]1CCCO1 ZINC000004859579 210303959 /nfs/dbraw/zinc/30/39/59/210303959.db2.gz MXKMAEAINHFLGT-LJQANCHMSA-N 1 0 327.468 4.548 50 0 EJAARO Fc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000055543812 132196010 /nfs/dbraw/zinc/19/60/10/132196010.db2.gz MDMGCXBMFLIKNU-UHFFFAOYSA-N 1 0 346.449 4.815 50 0 EJAARO Cc1cc(Br)ccc1OCCCC[NH+]1CCC(C)CC1 ZINC000003003492 526172312 /nfs/dbraw/zinc/17/23/12/526172312.db2.gz VKEYFEWCJZVRRA-UHFFFAOYSA-N 1 0 340.305 4.648 50 0 EJAARO CC(C)(C)c1cc(Br)ccc1OCCC1CC[NH2+]CC1 ZINC000042770439 563924868 /nfs/dbraw/zinc/92/48/68/563924868.db2.gz WHKSXJMRVTZGDO-UHFFFAOYSA-N 1 0 340.305 4.515 50 0 EJAARO CC(C)(C)c1cc(C(=O)OCC[NH+]2CCCCC2)cc(C(C)(C)C)c1 ZINC000000210672 563260795 /nfs/dbraw/zinc/26/07/95/563260795.db2.gz VQFPVZFHXSEDLN-UHFFFAOYSA-N 1 0 345.527 4.924 50 0 EJAARO CC1=C(CC[NH+]2CCN(c3ccc(F)cc3)CC2)C(C)(C)CCC1 ZINC000000212290 563261093 /nfs/dbraw/zinc/26/10/93/563261093.db2.gz BBFPTQSGZNNEEU-UHFFFAOYSA-N 1 0 330.491 4.864 50 0 EJAARO CC1(C)C[C@H](C[NH2+]CC[C@H](c2ccco2)c2ccc(F)cc2)CCO1 ZINC000001821196 563413803 /nfs/dbraw/zinc/41/38/03/563413803.db2.gz PVZQSKKTJZATRH-APWZRJJASA-N 1 0 345.458 4.736 50 0 EJAARO O=C(c1ccc(C(F)(F)F)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515079 563436381 /nfs/dbraw/zinc/43/63/81/563436381.db2.gz HXSZCZUWEOAKJY-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515087 563436428 /nfs/dbraw/zinc/43/64/28/563436428.db2.gz BYHONMZZZUEJSR-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO O=C(c1ccccc1C[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000002515582 563437174 /nfs/dbraw/zinc/43/71/74/563437174.db2.gz QMFIZOGWSVFQFT-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO Cc1cc(Cl)c(OCCC[NH2+]C2CCCC2)c(Br)c1 ZINC000002845194 563454990 /nfs/dbraw/zinc/45/49/90/563454990.db2.gz YHNQYEQBWINYML-UHFFFAOYSA-N 1 0 346.696 4.712 50 0 EJAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000002942416 563463852 /nfs/dbraw/zinc/46/38/52/563463852.db2.gz RJZFSIBXXSISDE-QGZVFWFLSA-N 1 0 335.532 4.528 50 0 EJAARO Clc1ccc(COc2cccc(C[NH2+]Cc3cccnc3)c2)cc1 ZINC000004675756 563507800 /nfs/dbraw/zinc/50/78/00/563507800.db2.gz HDWAWUJEQQVUNN-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO C[C@@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000004980671 563517130 /nfs/dbraw/zinc/51/71/30/563517130.db2.gz ZCYQVRRSGRUGSX-INIZCTEOSA-N 1 0 348.412 4.631 50 0 EJAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2)o1 ZINC000005014008 563519056 /nfs/dbraw/zinc/51/90/56/563519056.db2.gz JEGSUALWYVZNRK-UHFFFAOYSA-N 1 0 343.430 4.731 50 0 EJAARO CC[NH+](CC)[C@@H]1C(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000006783630 563586487 /nfs/dbraw/zinc/58/64/87/563586487.db2.gz VBMSIUSIEAGKMP-MSOLQXFVSA-N 1 0 328.843 4.784 50 0 EJAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1 ZINC000008254656 563625151 /nfs/dbraw/zinc/62/51/51/563625151.db2.gz VEZSIXMDSSFCMJ-UHFFFAOYSA-N 1 0 347.458 4.954 50 0 EJAARO CCCc1cc(Nc2cc[nH+]cc2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000008628405 563633621 /nfs/dbraw/zinc/63/36/21/563633621.db2.gz FNOVJEJTUXZKOG-UHFFFAOYSA-N 1 0 343.434 4.796 50 0 EJAARO CSc1cccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000012571160 563663427 /nfs/dbraw/zinc/66/34/27/563663427.db2.gz JYBAZRABEHGDJE-OAHLLOKOSA-N 1 0 337.492 4.753 50 0 EJAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012597399 563665048 /nfs/dbraw/zinc/66/50/48/563665048.db2.gz QVLFGWJAQUNGAU-KRWDZBQOSA-N 1 0 325.477 4.503 50 0 EJAARO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012992650 563682751 /nfs/dbraw/zinc/68/27/51/563682751.db2.gz FJLKKRPPIISOIZ-QGZVFWFLSA-N 1 0 332.447 4.607 50 0 EJAARO O=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000013720474 563716434 /nfs/dbraw/zinc/71/64/34/563716434.db2.gz WQRCUOHVMUYBKG-GOSISDBHSA-N 1 0 349.906 4.602 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000014094314 563739528 /nfs/dbraw/zinc/73/95/28/563739528.db2.gz DKLYDXMPYRTYMN-UHFFFAOYSA-N 1 0 348.368 4.554 50 0 EJAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032851133 563762705 /nfs/dbraw/zinc/76/27/05/563762705.db2.gz DCEXNQQVSQZKPR-ZBEGNZNMSA-N 1 0 349.261 4.598 50 0 EJAARO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@H+](CC(C)C)C2 ZINC000014994159 563771088 /nfs/dbraw/zinc/77/10/88/563771088.db2.gz RAGOODIWLMRWPZ-UHFFFAOYSA-N 1 0 325.452 4.521 50 0 EJAARO c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000015065004 563774955 /nfs/dbraw/zinc/77/49/55/563774955.db2.gz OKJPWGLDLRFEJK-IBGZPJMESA-N 1 0 349.503 4.887 50 0 EJAARO c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000015065003 563774971 /nfs/dbraw/zinc/77/49/71/563774971.db2.gz OKJPWGLDLRFEJK-LJQANCHMSA-N 1 0 349.503 4.887 50 0 EJAARO Clc1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019537289 563856167 /nfs/dbraw/zinc/85/61/67/563856167.db2.gz LDMLGWZGJOFCOV-UHFFFAOYSA-N 1 0 336.866 4.815 50 0 EJAARO CCOc1ccccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019536407 563856184 /nfs/dbraw/zinc/85/61/84/563856184.db2.gz YPOPWNSAWBPGOR-UHFFFAOYSA-N 1 0 346.474 4.561 50 0 EJAARO Cc1cccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1C ZINC000019537213 563856271 /nfs/dbraw/zinc/85/62/71/563856271.db2.gz WKUGTORSHCENIM-UHFFFAOYSA-N 1 0 330.475 4.779 50 0 EJAARO Cc1ccc([C@H](C)CC[NH+]2CCN(c3cccc(C)c3C)CC2)o1 ZINC000022077664 563862226 /nfs/dbraw/zinc/86/22/26/563862226.db2.gz IYGXRHMEUZTQRP-QGZVFWFLSA-N 1 0 326.484 4.521 50 0 EJAARO CCOc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)cc1 ZINC000027788751 563899569 /nfs/dbraw/zinc/89/95/69/563899569.db2.gz RHXUNNVBNGRYEC-UHFFFAOYSA-N 1 0 333.455 4.557 50 0 EJAARO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCCc2ccccc21 ZINC000028966322 563904844 /nfs/dbraw/zinc/90/48/44/563904844.db2.gz VPNVXLZXHNKVBK-FQEVSTJZSA-N 1 0 336.410 4.990 50 0 EJAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc(OC)c1O ZINC000033087138 563915034 /nfs/dbraw/zinc/91/50/34/563915034.db2.gz IXRNUNUKDMSAQJ-OAHLLOKOSA-N 1 0 347.480 4.588 50 0 EJAARO COc1cc(C[N@H+](C)[C@@H]2CCc3c2cccc3F)ccc1SC ZINC000072309399 563916673 /nfs/dbraw/zinc/91/66/73/563916673.db2.gz WNFHMGXMCNUTRP-QGZVFWFLSA-N 1 0 331.456 4.676 50 0 EJAARO COc1cc(C[N@H+](C)[C@H]2CCc3c2cccc3F)ccc1SC ZINC000072309400 563916703 /nfs/dbraw/zinc/91/67/03/563916703.db2.gz WNFHMGXMCNUTRP-KRWDZBQOSA-N 1 0 331.456 4.676 50 0 EJAARO COc1ccc(CC[N@H+](C)Cc2cccc3ccccc32)cc1OC ZINC000000272591 563917214 /nfs/dbraw/zinc/91/72/14/563917214.db2.gz OSTRREFNAIAIQV-UHFFFAOYSA-N 1 0 335.447 4.532 50 0 EJAARO Cc1ccc([C@H](C)CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000022077676 563918440 /nfs/dbraw/zinc/91/84/40/563918440.db2.gz ADEVJISDHAEHLY-OAHLLOKOSA-N 1 0 332.875 4.557 50 0 EJAARO Clc1ccc(OCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004845533 563919026 /nfs/dbraw/zinc/91/90/26/563919026.db2.gz SDXZKTHYCGQFGH-UHFFFAOYSA-N 1 0 329.871 4.674 50 0 EJAARO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000042773729 563924930 /nfs/dbraw/zinc/92/49/30/563924930.db2.gz USYXJFDCWJZBIC-KRWDZBQOSA-N 1 0 329.871 4.699 50 0 EJAARO CC(C)(c1ccccc1)c1ccc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042771160 563924950 /nfs/dbraw/zinc/92/49/50/563924950.db2.gz SCQHWTFJYUISBG-HNNXBMFYSA-N 1 0 329.871 4.654 50 0 EJAARO CCCCN(C(=O)c1cc(C)cc(C)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057991729 563936246 /nfs/dbraw/zinc/93/62/46/563936246.db2.gz WQLMEAUFXBPMKK-UHFFFAOYSA-N 1 0 344.543 4.855 50 0 EJAARO Cc1ccccc1OCCC[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000059393681 563948775 /nfs/dbraw/zinc/94/87/75/563948775.db2.gz JAMQCQFWXRDSEX-UHFFFAOYSA-N 1 0 336.435 4.551 50 0 EJAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064666842 563956951 /nfs/dbraw/zinc/95/69/51/563956951.db2.gz UOVRXHDWRDUKQI-OAQYLSRUSA-N 1 0 348.446 4.899 50 0 EJAARO c1cc(-c2c(-c3ccccc3)ncn2[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC000065410824 563960439 /nfs/dbraw/zinc/96/04/39/563960439.db2.gz RTLMLFNFJWSYPW-GOSISDBHSA-N 1 0 335.476 4.545 50 0 EJAARO C[C@@H](c1cccc(-c2ccc(O)c(-c3ccno3)c2)c1)[NH+]1CCCC1 ZINC000065429610 563960821 /nfs/dbraw/zinc/96/08/21/563960821.db2.gz QPKMTNXKOVBWRR-HNNXBMFYSA-N 1 0 334.419 4.871 50 0 EJAARO CC(C)c1ccc(-c2cc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)ccn2)cc1 ZINC000065429838 563960828 /nfs/dbraw/zinc/96/08/28/563960828.db2.gz PUQAPAPDTOLPHA-HXUWFJFHSA-N 1 0 346.478 4.585 50 0 EJAARO Cc1cccc(-c2cc([C@@H]3CC[N@H+](Cc4ccco4)C3)ccn2)c1C ZINC000065435217 563960928 /nfs/dbraw/zinc/96/09/28/563960928.db2.gz WJVKPOABYFOFLV-LJQANCHMSA-N 1 0 332.447 4.948 50 0 EJAARO CC(=O)c1cccc(-c2cc([C@H]3CC[N@@H+](C/C=C/C(C)C)C3)ccn2)c1 ZINC000065464006 563961282 /nfs/dbraw/zinc/96/12/82/563961282.db2.gz JXRFWILADKGDJV-BDNZGDGKSA-N 1 0 348.490 4.953 50 0 EJAARO C[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2CCF)c1)[NH+](C)C ZINC000065503683 563961737 /nfs/dbraw/zinc/96/17/37/563961737.db2.gz MENNNFBUJYPOST-INIZCTEOSA-N 1 0 337.442 4.809 50 0 EJAARO c1ccc(C[N@@H+]2CC[C@@H]([C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000071769336 563965570 /nfs/dbraw/zinc/96/55/70/563965570.db2.gz BLHARDLNGUCJNB-FYYLOGMGSA-N 1 0 328.459 4.736 50 0 EJAARO O=C(c1ccccc1)[C@@H](C[NH+]1CC2CCC(CC2)C1)c1ccccc1 ZINC000071770255 563965614 /nfs/dbraw/zinc/96/56/14/563965614.db2.gz YLYQJFCQOOVFGR-AJTFCVKESA-N 1 0 333.475 4.775 50 0 EJAARO COc1cccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1OC ZINC000023634014 563988151 /nfs/dbraw/zinc/98/81/51/563988151.db2.gz ASOLMBUBWZDVQY-NRFANRHFSA-N 1 0 347.458 4.777 50 0 EJAARO Cc1cc(C)c(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCCC2)c(C)c1 ZINC000000186700 563996621 /nfs/dbraw/zinc/99/66/21/563996621.db2.gz KBOMNCDLICXPTM-IBGZPJMESA-N 1 0 328.500 4.738 50 0 EJAARO Brc1c(OCC[NH2+]C2CCCC2)ccc2ccccc21 ZINC000002845262 564013462 /nfs/dbraw/zinc/01/34/62/564013462.db2.gz HDAMJFSTYVQHPL-UHFFFAOYSA-N 1 0 334.257 4.513 50 0 EJAARO Cc1ccc(Cn2c[n+](Cc3ccc(C)cc3)c3ccccc32)cc1 ZINC000169445153 564017074 /nfs/dbraw/zinc/01/70/74/564017074.db2.gz HRWLXEGLJKOIHO-UHFFFAOYSA-N 1 0 327.451 4.642 50 0 EJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(Cl)cc1 ZINC000018177335 564018571 /nfs/dbraw/zinc/01/85/71/564018571.db2.gz KLQLWORNRQKAJX-UHFFFAOYSA-N 1 0 345.874 4.504 50 0 EJAARO CCOc1ccc(/C=C\c2ccc3ccccc3[n+]2C)cc1OCC ZINC000005699572 564019342 /nfs/dbraw/zinc/01/93/42/564019342.db2.gz VESDHVVWRODCHN-RAXLEYEMSA-N 1 0 334.439 4.632 50 0 EJAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@@H]1[C@H](O)c1ccccc1 ZINC000005728047 564024152 /nfs/dbraw/zinc/02/41/52/564024152.db2.gz FKKYWOZIJLITIY-FGZHOGPDSA-N 1 0 346.474 4.687 50 0 EJAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@@H]1[C@@H](O)c1ccccc1 ZINC000005728049 564024154 /nfs/dbraw/zinc/02/41/54/564024154.db2.gz FKKYWOZIJLITIY-YADHBBJMSA-N 1 0 346.474 4.687 50 0 EJAARO c1cnn(-c2ccc(C[N@H+](Cc3ccco3)Cc3ccccc3)cc2)c1 ZINC000048354231 564031344 /nfs/dbraw/zinc/03/13/44/564031344.db2.gz HXXMPZGICOTALG-UHFFFAOYSA-N 1 0 343.430 4.668 50 0 EJAARO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)cn1 ZINC000095962850 564033838 /nfs/dbraw/zinc/03/38/38/564033838.db2.gz WEWNFUXQMYODCN-STQMWFEESA-N 1 0 336.277 4.638 50 0 EJAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000028926863 564047616 /nfs/dbraw/zinc/04/76/16/564047616.db2.gz XPBSRAAPULSJFI-LBPRGKRZSA-N 1 0 336.357 4.515 50 0 EJAARO CCCCn1c[n+](Cc2ccc(Br)cc2)c2ccccc21 ZINC000252484120 564053430 /nfs/dbraw/zinc/05/34/30/564053430.db2.gz FPAUFLRVKYBRLB-UHFFFAOYSA-N 1 0 344.276 4.540 50 0 EJAARO CC[NH+](CC)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000001011201 564054092 /nfs/dbraw/zinc/05/40/92/564054092.db2.gz VKOTVWYUJNLALJ-UHFFFAOYSA-N 1 0 342.508 4.721 50 0 EJAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)cc1 ZINC000012747950 564065976 /nfs/dbraw/zinc/06/59/76/564065976.db2.gz FNAWCEKXTMKNKF-UHFFFAOYSA-N 1 0 348.421 4.676 50 0 EJAARO c1ccc2c(c1)cccc2C[NH2+]Cc1cccnc1OC1CCCC1 ZINC000084598468 564068998 /nfs/dbraw/zinc/06/89/98/564068998.db2.gz VMIIOOIEPAAIFO-UHFFFAOYSA-N 1 0 332.447 4.846 50 0 EJAARO Fc1cccc(C2(C[NH2+]Cc3ccc4ccccc4c3)CCOCC2)c1 ZINC000084605865 564069036 /nfs/dbraw/zinc/06/90/36/564069036.db2.gz BAUAUAUKDIBZMX-UHFFFAOYSA-N 1 0 349.449 4.817 50 0 EJAARO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000084691959 564069643 /nfs/dbraw/zinc/06/96/43/564069643.db2.gz LNKVEKLVCUJCFQ-VQIMIIECSA-N 1 0 342.483 4.603 50 0 EJAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015836999 564076457 /nfs/dbraw/zinc/07/64/57/564076457.db2.gz XYZDAVUBNAJSJR-NRFANRHFSA-N 1 0 325.452 4.821 50 0 EJAARO Cc1sc([C@@H](C)[NH2+]C2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000168585029 564076777 /nfs/dbraw/zinc/07/67/77/564076777.db2.gz CAUVUPVMZRENHZ-LLVKDONJSA-N 1 0 336.888 4.602 50 0 EJAARO C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000016047204 564079452 /nfs/dbraw/zinc/07/94/52/564079452.db2.gz QPCFTGNGVCQFQN-QVKFZJNVSA-N 1 0 341.426 4.808 50 0 EJAARO O=C(CC[NH+]1CCC(c2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000075280190 564081470 /nfs/dbraw/zinc/08/14/70/564081470.db2.gz BUJVZEMOOVTFLO-UHFFFAOYSA-N 1 0 342.870 4.548 50 0 EJAARO O[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000075283232 564081516 /nfs/dbraw/zinc/08/15/16/564081516.db2.gz QZLPISWAPZYBBS-RTWAWAEBSA-N 1 0 337.850 4.905 50 0 EJAARO O[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000075283226 564081533 /nfs/dbraw/zinc/08/15/33/564081533.db2.gz QZLPISWAPZYBBS-LEWJYISDSA-N 1 0 337.850 4.905 50 0 EJAARO CCOC(=O)CCCCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000075284114 564081545 /nfs/dbraw/zinc/08/15/45/564081545.db2.gz PSPYLKNXEBXPCN-QFIPXVFZSA-N 1 0 339.479 4.798 50 0 EJAARO CC1=C[C@@H](C)[C@@H](C[N@H+](CCO)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 ZINC000244712676 564088564 /nfs/dbraw/zinc/08/85/64/564088564.db2.gz KUFAUZJRIITNBN-KINXCBNHSA-N 1 0 333.560 4.758 50 0 EJAARO CCCOc1ccc(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001831625 564088750 /nfs/dbraw/zinc/08/87/50/564088750.db2.gz GMVQRRVCNWDLLT-NRFANRHFSA-N 1 0 337.463 4.538 50 0 EJAARO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 ZINC000192746186 564093102 /nfs/dbraw/zinc/09/31/02/564093102.db2.gz HVDCYEUGZSLQNM-BXWFABGCSA-N 1 0 336.435 4.646 50 0 EJAARO Cc1c2cc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)ccc2[nH]c1CO ZINC000426399424 564093633 /nfs/dbraw/zinc/09/36/33/564093633.db2.gz ODCZZYMJVIAGQO-MRXNPFEDSA-N 1 0 334.463 4.792 50 0 EJAARO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000007538563 564109938 /nfs/dbraw/zinc/10/99/38/564109938.db2.gz QUXMBCQIXLQECP-QWHCGFSZSA-N 1 0 326.827 4.743 50 0 EJAARO CC(C)Sc1cccc(Cl)c1CNC1CC[NH+](C2CC2)CC1 ZINC000170613401 564109946 /nfs/dbraw/zinc/10/99/46/564109946.db2.gz RFFWOJSWJXYIBN-UHFFFAOYSA-N 1 0 338.948 4.557 50 0 EJAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1 ZINC000017112790 564116443 /nfs/dbraw/zinc/11/64/43/564116443.db2.gz RCHPIPCVAVNFRE-IBGZPJMESA-N 1 0 347.543 4.672 50 0 EJAARO C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002118583 564118227 /nfs/dbraw/zinc/11/82/27/564118227.db2.gz RFBOJWYFYNPANN-OAHLLOKOSA-N 1 0 349.430 4.540 50 0 biogenic EJAARO CC(C)c1noc([C@@H](C)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000195528965 564123594 /nfs/dbraw/zinc/12/35/94/564123594.db2.gz NRRWEHNEJWEKSD-OXQOHEQNSA-N 1 0 347.462 4.902 50 0 EJAARO CCCC[NH+](CCCC)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000002413162 564134796 /nfs/dbraw/zinc/13/47/96/564134796.db2.gz OWVKRTILCIBUDE-UHFFFAOYSA-N 1 0 327.468 4.684 50 0 EJAARO COc1cc(C[NH2+][C@]2(C)CCCc3ccccc32)cc(Cl)c1OC ZINC000095960010 564142682 /nfs/dbraw/zinc/14/26/82/564142682.db2.gz SGIHNULVDVHNDF-HXUWFJFHSA-N 1 0 345.870 4.699 50 0 EJAARO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)c3cnc(C)nc3C)oc21 ZINC000095967182 564143029 /nfs/dbraw/zinc/14/30/29/564143029.db2.gz XYZVXJZMLQFPEP-TZMCWYRMSA-N 1 0 339.439 4.650 50 0 EJAARO CC[C@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 ZINC000095967879 564143071 /nfs/dbraw/zinc/14/30/71/564143071.db2.gz JZVARWKCSFVUCT-KXBFYZLASA-N 1 0 325.456 4.600 50 0 EJAARO Cc1ncsc1[C@@H](C)[NH2+]Cc1ccc(C)cc1OCC(F)(F)F ZINC000095969178 564143369 /nfs/dbraw/zinc/14/33/69/564143369.db2.gz WDJPNQVRLYVWGT-LLVKDONJSA-N 1 0 344.402 4.552 50 0 EJAARO CC[N@H+](CCCC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000096027372 564145027 /nfs/dbraw/zinc/14/50/27/564145027.db2.gz LIGJBDYJVVLWSG-UHFFFAOYSA-N 1 0 325.496 4.940 50 0 EJAARO CCC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000002647531 564151832 /nfs/dbraw/zinc/15/18/32/564151832.db2.gz PMCZMBQUUFTLEH-OAHLLOKOSA-N 1 0 328.481 4.555 50 0 EJAARO CSc1ccc(-c2noc(C[NH+](CC(C)C)CC(C)C)n2)cc1 ZINC000057427579 564154257 /nfs/dbraw/zinc/15/42/57/564154257.db2.gz YORXCMWUSOKIMX-UHFFFAOYSA-N 1 0 333.501 4.573 50 0 EJAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 ZINC000003476765 564158351 /nfs/dbraw/zinc/15/83/51/564158351.db2.gz AOFYTWRPMZATHC-KSFYIVLOSA-N 1 0 344.458 4.834 50 0 EJAARO C[C@@H]([NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000058447283 564159189 /nfs/dbraw/zinc/15/91/89/564159189.db2.gz OQLDJJSYOMHANO-GOSISDBHSA-N 1 0 342.527 4.831 50 0 EJAARO CC1(C)C[C@@](CC[NH2+]Cc2ccco2)(c2ccc(Cl)cc2)CCO1 ZINC000032072991 564160583 /nfs/dbraw/zinc/16/05/83/564160583.db2.gz QOIAKYBHRQRYHO-FQEVSTJZSA-N 1 0 347.886 4.940 50 0 EJAARO CC1(C)C[C@@H]([NH2+]CCC2(Cc3ccc(F)cc3)CCCC2)CCO1 ZINC000032102278 564160793 /nfs/dbraw/zinc/16/07/93/564160793.db2.gz OXAAQUDKIGIBTQ-IBGZPJMESA-N 1 0 333.491 4.866 50 0 EJAARO FC(F)(F)c1cccnc1NCC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000670460116 564161031 /nfs/dbraw/zinc/16/10/31/564161031.db2.gz LJORXNOBGXYVTP-OAHLLOKOSA-N 1 0 341.421 4.700 50 0 EJAARO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)Cc1sccc1C ZINC000008132460 564163048 /nfs/dbraw/zinc/16/30/48/564163048.db2.gz NFKAMERJXJNINY-UHFFFAOYSA-N 1 0 343.448 4.611 50 0 EJAARO CCC(CC)c1cc[n+](Cc2ccc(Br)s2)cc1 ZINC000067437857 564165913 /nfs/dbraw/zinc/16/59/13/564165913.db2.gz CVXMDDYAKZFCRF-UHFFFAOYSA-N 1 0 325.295 4.750 50 0 EJAARO CCCCc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008717224 564166707 /nfs/dbraw/zinc/16/67/07/564166707.db2.gz ODNRMWTVUNTCHN-HNNXBMFYSA-N 1 0 326.484 4.966 50 0 EJAARO CCCCc1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008717218 564166710 /nfs/dbraw/zinc/16/67/10/564166710.db2.gz MBLUOGFRBNNDHD-UHFFFAOYSA-N 1 0 326.484 4.967 50 0 EJAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717812 564166822 /nfs/dbraw/zinc/16/68/22/564166822.db2.gz MBLHIKGDVPBSKF-CYBMUJFWSA-N 1 0 348.874 4.675 50 0 EJAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[NH+](CC(C)C)CC(C)C)c2=O ZINC000008717405 564166826 /nfs/dbraw/zinc/16/68/26/564166826.db2.gz WREMSBWNMBGXFJ-UHFFFAOYSA-N 1 0 328.500 4.980 50 0 EJAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717963 564166881 /nfs/dbraw/zinc/16/68/81/564166881.db2.gz SXEPJGMGWGNMPQ-UHFFFAOYSA-N 1 0 344.499 4.906 50 0 EJAARO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)c1c2c(cc3c1CCC3)CCC2 ZINC000039439603 564167572 /nfs/dbraw/zinc/16/75/72/564167572.db2.gz NXDUYFJZCDPPAO-HSZRJFAPSA-N 1 0 349.518 4.608 50 0 EJAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cccn1-c1cccnc1 ZINC000055244463 214294072 /nfs/dbraw/zinc/29/40/72/214294072.db2.gz ISQYJYMLDCFIMI-INIZCTEOSA-N 1 0 325.481 4.735 50 0 EJAARO CCCCC(=O)NC1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000056284851 214367979 /nfs/dbraw/zinc/36/79/79/214367979.db2.gz IYPSDTIZQGYZCG-QGZVFWFLSA-N 1 0 338.495 4.672 50 0 EJAARO c1ccc(C[NH2+]CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000004677214 210245168 /nfs/dbraw/zinc/24/51/68/210245168.db2.gz DXIZNVHVLWVQIJ-NRFANRHFSA-N 1 0 345.442 4.727 50 0 EJAARO COc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1OC ZINC000004657416 210240131 /nfs/dbraw/zinc/24/01/31/210240131.db2.gz DDBLNGFZDILXGT-UHFFFAOYSA-N 1 0 333.431 4.583 50 0 EJAARO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000004546176 210219282 /nfs/dbraw/zinc/21/92/82/210219282.db2.gz SFZFJLNLICHCTF-ZYOFANERSA-N 1 0 348.490 4.756 50 0 EJAARO Clc1ccccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315277 210167357 /nfs/dbraw/zinc/16/73/57/210167357.db2.gz MYQAQLHVWAFSPD-UHFFFAOYSA-N 1 0 325.843 4.596 50 0 EJAARO CC(C)=CCCC1=CC[C@H](CN(CCC[NH+](C)C)C(C)=O)[C@@H](C)C1 ZINC000004025880 210102686 /nfs/dbraw/zinc/10/26/86/210102686.db2.gz YFSDFXHVCMRUBE-GHTZIAJQSA-N 1 0 334.548 4.506 50 0 biogenic EJAARO CCCN1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004022131 210102093 /nfs/dbraw/zinc/10/20/93/210102093.db2.gz NMRZQUUJBDMTEU-UHFFFAOYSA-N 1 0 336.523 4.606 50 0 EJAARO CC(C)CCC[C@@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000003418374 210034970 /nfs/dbraw/zinc/03/49/70/210034970.db2.gz ODGZLHOIZGXATR-HIFRSBDPSA-N 1 0 348.314 4.538 50 0 EJAARO [NH3+]C[C@@H](c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000015446325 201957150 /nfs/dbraw/zinc/95/71/50/201957150.db2.gz VCUJNFWOXYZUSK-AWEZNQCLSA-N 1 0 333.275 4.815 50 0 EJAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)C1CCCCC1 ZINC000003348168 210014675 /nfs/dbraw/zinc/01/46/75/210014675.db2.gz VIGUFBWERMJIAM-NSHDSACASA-N 1 0 329.271 4.585 50 0 EJAARO CCOc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000044124740 213608701 /nfs/dbraw/zinc/60/87/01/213608701.db2.gz VSQPBOQZBTWANL-RTBURBONSA-N 1 0 325.452 4.565 50 0 EJAARO C[NH+](C)Cc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000067434546 215145270 /nfs/dbraw/zinc/14/52/70/215145270.db2.gz IVYHLNVOVZVQRZ-UHFFFAOYSA-N 1 0 330.737 4.608 50 0 EJAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1ccnc2ccccc21 ZINC000067755731 215203033 /nfs/dbraw/zinc/20/30/33/215203033.db2.gz APAHEPGKATVTJM-UHFFFAOYSA-N 1 0 334.419 4.632 50 0 EJAARO C[C@H](c1ccccn1)[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000067946918 215255404 /nfs/dbraw/zinc/25/54/04/215255404.db2.gz HUNZIKNYEFDPFT-QGZVFWFLSA-N 1 0 342.446 4.589 50 0 EJAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000104402049 219383169 /nfs/dbraw/zinc/38/31/69/219383169.db2.gz XLIYENZIUOKTLX-PKOBYXMFSA-N 1 0 325.500 4.591 50 0 EJAARO CCCCCSc1cc(O)c([C@H](C[NH2+]C)C(C)C)cc1OC ZINC000002049882 209814282 /nfs/dbraw/zinc/81/42/82/209814282.db2.gz GBWZKWXAMNEFFC-OAHLLOKOSA-N 1 0 325.518 4.642 50 0 EJAARO C[N@H+](C[C@@H](O)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238105 202100931 /nfs/dbraw/zinc/10/09/31/202100931.db2.gz AZLVFMJMZBMGFL-YADHBBJMSA-N 1 0 335.422 4.581 50 0 EJAARO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCc2ccccc21 ZINC000029483242 202188266 /nfs/dbraw/zinc/18/82/66/202188266.db2.gz LAJFWEOTBROKHK-INIZCTEOSA-N 1 0 349.261 4.551 50 0 EJAARO Cc1[nH]c2ccc(C)cc2c1CC[NH2+]Cc1c(F)cccc1Cl ZINC000036657773 213108648 /nfs/dbraw/zinc/10/86/48/213108648.db2.gz QIGATVCAYUPAQB-UHFFFAOYSA-N 1 0 330.834 4.910 50 0 EJAARO C[N@H+](Cc1ccccc1NC(=O)Cc1cccs1)C1CCCCC1 ZINC000036664648 213108438 /nfs/dbraw/zinc/10/84/38/213108438.db2.gz WGANIQMKFKJKSQ-UHFFFAOYSA-N 1 0 342.508 4.694 50 0 EJAARO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000036348314 213086325 /nfs/dbraw/zinc/08/63/25/213086325.db2.gz MUHBUGFRONRJMM-HSZRJFAPSA-N 1 0 346.474 4.800 50 0 EJAARO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000036348313 213086033 /nfs/dbraw/zinc/08/60/33/213086033.db2.gz MUHBUGFRONRJMM-QHCPKHFHSA-N 1 0 346.474 4.800 50 0 EJAARO C[C@@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1ccc(Cl)cc1)C1CC1 ZINC000032072506 212785376 /nfs/dbraw/zinc/78/53/76/212785376.db2.gz AEIBINHEKNGXPF-QUCCMNQESA-N 1 0 335.919 4.945 50 0 EJAARO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1cccnc1 ZINC000078553908 202395614 /nfs/dbraw/zinc/39/56/14/202395614.db2.gz SNZFUDFUDCGXJO-LBPRGKRZSA-N 1 0 327.428 4.503 50 0 EJAARO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)c1cccs1 ZINC000022925113 212336499 /nfs/dbraw/zinc/33/64/99/212336499.db2.gz YLRYMFGLIASKLR-KRWDZBQOSA-N 1 0 344.455 4.540 50 0 EJAARO CC(C)c1cccc(C(C)C)c1OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022385606 212294101 /nfs/dbraw/zinc/29/41/01/212294101.db2.gz BQORZYXEEBAHHD-ROUUACIJSA-N 1 0 333.516 4.812 50 0 EJAARO FC1(F)CC[NH+](C[C@@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000216321811 241182355 /nfs/dbraw/zinc/18/23/55/241182355.db2.gz HFKJHTDZXTVCFI-IBGZPJMESA-N 1 0 327.418 4.724 50 0 EJAARO COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000229382082 242161113 /nfs/dbraw/zinc/16/11/13/242161113.db2.gz ZUJHOXBTSAZDJK-DOTOQJQBSA-N 1 0 336.435 4.777 50 0 EJAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000003904910 201584187 /nfs/dbraw/zinc/58/41/87/201584187.db2.gz WNBGEAYOJFECOY-YESZJQIVSA-N 1 0 331.500 4.792 50 0 EJAARO Cc1ccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864932 212178103 /nfs/dbraw/zinc/17/81/03/212178103.db2.gz XTTROIVPHBPSFF-HXUWFJFHSA-N 1 0 334.488 4.919 50 0 EJAARO Cc1ccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864928 212178155 /nfs/dbraw/zinc/17/81/55/212178155.db2.gz XTTROIVPHBPSFF-FQEVSTJZSA-N 1 0 334.488 4.919 50 0 EJAARO C[C@@H](c1cccc(-c2nccc(CCC(F)(F)F)n2)c1)[NH+]1CCCC1 ZINC000071404260 203094108 /nfs/dbraw/zinc/09/41/08/203094108.db2.gz PYQGUHBXFLFONB-AWEZNQCLSA-N 1 0 349.400 4.795 50 0 EJAARO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000071764408 203110886 /nfs/dbraw/zinc/11/08/86/203110886.db2.gz LSYSUJQVFLXZBN-QGZVFWFLSA-N 1 0 348.412 4.945 50 0 EJAARO C[C@H](CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000019633069 212052628 /nfs/dbraw/zinc/05/26/28/212052628.db2.gz HTIRYUDGMBVNBZ-OGECGYFKSA-N 1 0 334.507 4.511 50 0 EJAARO C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019536879 212038964 /nfs/dbraw/zinc/03/89/64/212038964.db2.gz NJIYUFSFOSQQRR-RMKNXTFCSA-N 1 0 342.486 4.671 50 0 EJAARO Cc1ccccc1C[NH+]1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000011789652 211247823 /nfs/dbraw/zinc/24/78/23/211247823.db2.gz PUKCGJVMOMZJEB-UHFFFAOYSA-N 1 0 349.453 4.904 50 0 EJAARO Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000012454910 211386475 /nfs/dbraw/zinc/38/64/75/211386475.db2.gz GCWUSDGHGJWXIX-UHFFFAOYSA-N 1 0 332.394 4.549 50 0 EJAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]Cc1ccoc1 ZINC000012314748 211343249 /nfs/dbraw/zinc/34/32/49/211343249.db2.gz XKNKQPNSLOWIGH-GOSISDBHSA-N 1 0 335.451 4.577 50 0 EJAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000012242515 211329684 /nfs/dbraw/zinc/32/96/84/211329684.db2.gz XEBMXYHXMJZVEV-LJQANCHMSA-N 1 0 346.478 4.557 50 0 EJAARO COc1ccc(-c2cc(C[N@H+](C)[C@H]3CCCc4ccccc43)on2)cc1 ZINC000009579038 211104687 /nfs/dbraw/zinc/10/46/87/211104687.db2.gz BNFIZNZOVGWVTO-QFIPXVFZSA-N 1 0 348.446 4.860 50 0 EJAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn21 ZINC000095350756 218284901 /nfs/dbraw/zinc/28/49/01/218284901.db2.gz XMNOPTVIEGMIKN-OXJNMPFZSA-N 1 0 334.467 4.702 50 0 EJAARO C[C@H](c1ccccn1)[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000095369318 218301589 /nfs/dbraw/zinc/30/15/89/218301589.db2.gz KGQMQRNMKKYVHB-CYBMUJFWSA-N 1 0 331.257 4.570 50 0 EJAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000095395338 218327460 /nfs/dbraw/zinc/32/74/60/218327460.db2.gz DHJYVFRNCIKJCL-GOSISDBHSA-N 1 0 345.531 4.634 50 0 EJAARO c1nc(C2CCC2)sc1C[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000095415530 218354060 /nfs/dbraw/zinc/35/40/60/218354060.db2.gz BZDLCPSUGFCRBN-SFHVURJKSA-N 1 0 327.497 4.827 50 0 EJAARO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095420395 218360558 /nfs/dbraw/zinc/36/05/58/218360558.db2.gz KOVGTQYCOJCTMY-ZIAGYGMSSA-N 1 0 343.496 4.752 50 0 EJAARO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)cc1NC(C)=O ZINC000095422538 218364970 /nfs/dbraw/zinc/36/49/70/218364970.db2.gz IUMXWCJVOKGQAQ-HOTGVXAUSA-N 1 0 340.467 4.682 50 0 EJAARO Fc1cccc(C[N@H+](Cc2cnoc2-c2cccs2)C2CC2)c1 ZINC000095437978 218381398 /nfs/dbraw/zinc/38/13/98/218381398.db2.gz BJEUUCWTVJKXKD-UHFFFAOYSA-N 1 0 328.412 4.707 50 0 EJAARO CC1(C)C[C@]2(CCC[N@H+](CCC(=O)c3ccc(Cl)cc3)C2)CCO1 ZINC000004834826 210292196 /nfs/dbraw/zinc/29/21/96/210292196.db2.gz CBNWYLOCQPQBCR-FQEVSTJZSA-N 1 0 349.902 4.584 50 0 EJAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)cc1 ZINC000000119163 258047449 /nfs/dbraw/zinc/04/74/49/258047449.db2.gz HQYYPEABZCQIEL-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO CC(C)(C)c1cc(Cl)ccc1OCCOCC[NH+]1CCCCC1 ZINC000003000985 518999136 /nfs/dbraw/zinc/99/91/36/518999136.db2.gz BKPQBPYKEOWRHJ-UHFFFAOYSA-N 1 0 339.907 4.519 50 0 EJAARO Cc1cc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c(C)c1Cl ZINC000042770260 563924875 /nfs/dbraw/zinc/92/48/75/563924875.db2.gz LGWDNSSCIPYSBY-LBPRGKRZSA-N 1 0 346.696 4.630 50 0 EJAARO Cc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000000240240 563264942 /nfs/dbraw/zinc/26/49/42/563264942.db2.gz AWFXCLLMEJIIMQ-UHFFFAOYSA-N 1 0 348.412 4.644 50 0 EJAARO COc1cc(C[NH+]2CCCCCC2)ccc1OCc1ccccc1 ZINC000000277697 563271529 /nfs/dbraw/zinc/27/15/29/563271529.db2.gz KUIWZXUBBSVGAL-UHFFFAOYSA-N 1 0 325.452 4.650 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000002514522 563435267 /nfs/dbraw/zinc/43/52/67/563435267.db2.gz ZDDYZBNTBMCOCX-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002514578 563435567 /nfs/dbraw/zinc/43/55/67/563435567.db2.gz RYOTWJOGQUDWNE-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cc(Cl)ccc1Cl ZINC000002514919 563435852 /nfs/dbraw/zinc/43/58/52/563435852.db2.gz ZFJYXOIBQKPAFO-UHFFFAOYSA-N 1 0 332.230 4.596 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1F ZINC000002515028 563435927 /nfs/dbraw/zinc/43/59/27/563435927.db2.gz IMZHBYDGMVKPID-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO c1ccc(CN2CCC([NH2+]C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000002499220 563469467 /nfs/dbraw/zinc/46/94/67/563469467.db2.gz ATKGJDNWJJXSJB-UHFFFAOYSA-N 1 0 348.534 4.967 50 0 EJAARO CCC[NH+](CCC)C[C@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 ZINC000003068320 563471039 /nfs/dbraw/zinc/47/10/39/563471039.db2.gz YTAMEPAICSZHEE-YADHBBJMSA-N 1 0 341.495 4.634 50 0 EJAARO C[C@H](c1ccccc1C(O)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000004833135 563512211 /nfs/dbraw/zinc/51/22/11/563512211.db2.gz IFQPCBJQWBPSDY-GOSISDBHSA-N 1 0 331.459 4.593 50 0 EJAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c1 ZINC000004841640 563512999 /nfs/dbraw/zinc/51/29/99/563512999.db2.gz ROIYIADUYHIIPY-UHFFFAOYSA-N 1 0 333.218 4.938 50 0 EJAARO Cc1nnc([C@H](C)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)o1 ZINC000071902707 563555955 /nfs/dbraw/zinc/55/59/55/563555955.db2.gz GCUOZFAYSHLNHA-YPMHNXCESA-N 1 0 342.468 4.530 50 0 EJAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]Cc2ccncc2)c1 ZINC000006671746 563577896 /nfs/dbraw/zinc/57/78/96/563577896.db2.gz XBRIEMZWSDCAKE-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)c1 ZINC000007524484 563604409 /nfs/dbraw/zinc/60/44/09/563604409.db2.gz RKJHZYAGZPSYAU-GFCCVEGCSA-N 1 0 326.223 4.522 50 0 EJAARO Clc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000007524614 563604416 /nfs/dbraw/zinc/60/44/16/563604416.db2.gz PQULFIHSHUVYQQ-UHFFFAOYSA-N 1 0 341.794 4.619 50 0 EJAARO COc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000007538266 563605201 /nfs/dbraw/zinc/60/52/01/563605201.db2.gz QLULBCVHKRIKSZ-UHFFFAOYSA-N 1 0 333.431 4.564 50 0 EJAARO COc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000007538382 563605238 /nfs/dbraw/zinc/60/52/38/563605238.db2.gz NUAQENOUMSSCDL-UHFFFAOYSA-N 1 0 333.431 4.564 50 0 EJAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000012244014 563656902 /nfs/dbraw/zinc/65/69/02/563656902.db2.gz XLIYENZIUOKTLX-IEBWSBKVSA-N 1 0 325.500 4.591 50 0 EJAARO COc1ccccc1N1CC[NH+](CCC2=C(C)CCCC2(C)C)CC1 ZINC000012384910 563659666 /nfs/dbraw/zinc/65/96/66/563659666.db2.gz KQZBRLQJRZDRAW-UHFFFAOYSA-N 1 0 342.527 4.734 50 0 EJAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000032664951 563678257 /nfs/dbraw/zinc/67/82/57/563678257.db2.gz GHGLQBQYPWCLSO-AWEZNQCLSA-N 1 0 330.859 4.500 50 0 EJAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccc(-c4ccccc4)cc1)(C3)C2 ZINC000013728857 563719232 /nfs/dbraw/zinc/71/92/32/563719232.db2.gz ZQLOCCGROXLTIO-MGAZVUHYSA-N 1 0 333.475 4.527 50 0 EJAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000015065811 563774981 /nfs/dbraw/zinc/77/49/81/563774981.db2.gz QLRDVGPCSBRCCO-UHFFFAOYSA-N 1 0 332.394 4.549 50 0 EJAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(Cl)o1)C1CCCCC1 ZINC000032900668 563784964 /nfs/dbraw/zinc/78/49/64/563784964.db2.gz QHPIWVRWOKVHEU-UHFFFAOYSA-N 1 0 346.858 4.950 50 0 EJAARO C[N@H+](C[C@@H](O)c1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000028909252 563904482 /nfs/dbraw/zinc/90/44/82/563904482.db2.gz NIVNLPOAKGFAQT-OAQYLSRUSA-N 1 0 335.422 4.581 50 0 EJAARO Cc1ccc2oc(=O)cc(C[N@@H+](Cc3ccccc3)CC(C)C)c2c1 ZINC000033018626 563914730 /nfs/dbraw/zinc/91/47/30/563914730.db2.gz OCCGAFGOLAJNFV-UHFFFAOYSA-N 1 0 335.447 4.760 50 0 EJAARO Cc1c(C)n(-c2ccccc2)c2ncnc(Nc3ccc(F)cc3)c12 ZINC000032960415 563916484 /nfs/dbraw/zinc/91/64/84/563916484.db2.gz WGLYBNMYBONRMN-UHFFFAOYSA-N 1 0 332.382 4.920 50 0 EJAARO COc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022023193 563918417 /nfs/dbraw/zinc/91/84/17/563918417.db2.gz LANDPAARNHPNHM-OAQYLSRUSA-N 1 0 332.447 4.971 50 0 EJAARO O=C1C[C@@H](C2CC[NH+](Cc3ccccc3)CC2)Sc2ccccc21 ZINC000045302651 563929094 /nfs/dbraw/zinc/92/90/94/563929094.db2.gz XWMHOCDNGHEUMF-NRFANRHFSA-N 1 0 337.488 4.646 50 0 EJAARO CCc1c(C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)csc1C ZINC000013809663 563934979 /nfs/dbraw/zinc/93/49/79/563934979.db2.gz MMCWLAUYJWFLFH-INIZCTEOSA-N 1 0 328.525 4.638 50 0 EJAARO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000058271508 563941378 /nfs/dbraw/zinc/94/13/78/563941378.db2.gz TWTUHIFZBBKXRM-KRWDZBQOSA-N 1 0 347.462 4.752 50 0 EJAARO FC(F)(F)c1cccc(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000058452548 563946559 /nfs/dbraw/zinc/94/65/59/563946559.db2.gz UNDPIYVEIDRRPK-UHFFFAOYSA-N 1 0 349.396 4.887 50 0 EJAARO C[C@H](c1cccc(-c2nc3ccccc3cc2CO)c1)[NH+]1CCCC1 ZINC000065462295 563961256 /nfs/dbraw/zinc/96/12/56/563961256.db2.gz GQHAZQYGKMUGPM-MRXNPFEDSA-N 1 0 332.447 4.551 50 0 EJAARO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](C2CCCC2)CCO3)s1 ZINC000067692506 563962515 /nfs/dbraw/zinc/96/25/15/563962515.db2.gz JBZZNBJPKFUGFU-UHFFFAOYSA-N 1 0 329.465 4.566 50 0 EJAARO C[C@H](c1cccc(-c2nccc(CCC(F)(F)F)n2)c1)[NH+]1CCCC1 ZINC000071404261 563964289 /nfs/dbraw/zinc/96/42/89/563964289.db2.gz PYQGUHBXFLFONB-CQSZACIVSA-N 1 0 349.400 4.795 50 0 EJAARO FC(F)(F)c1ccccc1CC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000071663051 563964699 /nfs/dbraw/zinc/96/46/99/563964699.db2.gz HVTLTIQKGUCHSF-INIZCTEOSA-N 1 0 348.412 4.945 50 0 EJAARO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1cccc(-c2ccco2)c1 ZINC000077518160 563970175 /nfs/dbraw/zinc/97/01/75/563970175.db2.gz UOQKUILDFCMDCR-UHFFFAOYSA-N 1 0 345.402 4.629 50 0 EJAARO COc1ccccc1C[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000060970907 563992195 /nfs/dbraw/zinc/99/21/95/563992195.db2.gz BGOWYAZHSVOXID-UHFFFAOYSA-N 1 0 345.442 4.587 50 0 EJAARO CC[NH+](CC)CCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000005163575 563996538 /nfs/dbraw/zinc/99/65/38/563996538.db2.gz QFBPHJHAGYBOLY-UHFFFAOYSA-N 1 0 341.524 4.500 50 0 EJAARO CC(C)(C)[C@@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 ZINC000136066066 563997558 /nfs/dbraw/zinc/99/75/58/563997558.db2.gz NUFMXUVBRHSLPS-IRXDYDNUSA-N 1 0 330.497 4.872 50 0 EJAARO CCCC1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 ZINC000252481535 563997728 /nfs/dbraw/zinc/99/77/28/563997728.db2.gz CNQAWBFFHDTOSZ-GOSISDBHSA-N 1 0 344.499 4.600 50 0 EJAARO COc1ccc2[nH+]c(C)cc(Nc3cc(Cl)ccc3OC)c2c1 ZINC000000459639 564000627 /nfs/dbraw/zinc/00/06/27/564000627.db2.gz VKXBVMGKYBJYOJ-UHFFFAOYSA-N 1 0 328.799 4.957 50 0 EJAARO C[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)c1nc(C2CC2)no1 ZINC000078624361 564000908 /nfs/dbraw/zinc/00/09/08/564000908.db2.gz DNPZCRUDIPQSES-CQSZACIVSA-N 1 0 326.444 4.501 50 0 EJAARO Cc1cccc([C@@H]([NH2+]Cc2cnc3nc(C)cc(C)n23)C(C)(C)C)c1 ZINC000157443246 564010836 /nfs/dbraw/zinc/01/08/36/564010836.db2.gz AZPOUILNWFKQCX-LJQANCHMSA-N 1 0 336.483 4.532 50 0 EJAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000007262321 564015452 /nfs/dbraw/zinc/01/54/52/564015452.db2.gz WMGJUTVBSGLGQT-UHFFFAOYSA-N 1 0 337.822 4.566 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000000556310 564023151 /nfs/dbraw/zinc/02/31/51/564023151.db2.gz UUPKCTRRHUYUKK-UHFFFAOYSA-N 1 0 328.843 4.578 50 0 EJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000048261327 564030317 /nfs/dbraw/zinc/03/03/17/564030317.db2.gz YCLNOYJOBBHCIB-OAQYLSRUSA-N 1 0 348.446 4.996 50 0 EJAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000033629162 564036857 /nfs/dbraw/zinc/03/68/57/564036857.db2.gz SGRXPZXZFVLCLR-AUSIDOKSSA-N 1 0 343.470 4.758 50 0 EJAARO COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc(Cl)c1OC ZINC000025259757 564036884 /nfs/dbraw/zinc/03/68/84/564036884.db2.gz UISAOLGCWGGSGX-QGZVFWFLSA-N 1 0 331.843 4.524 50 0 EJAARO Clc1ccccc1C[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000252494303 564053460 /nfs/dbraw/zinc/05/34/60/564053460.db2.gz NRLUINYYTDDTTH-UHFFFAOYSA-N 1 0 333.842 4.679 50 0 EJAARO OCCC[N@H+](Cc1cccc(F)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000078583680 564062077 /nfs/dbraw/zinc/06/20/77/564062077.db2.gz LDQSLPCIOPVMFI-UHFFFAOYSA-N 1 0 342.241 4.517 50 0 EJAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000001227451 564060215 /nfs/dbraw/zinc/06/02/15/564060215.db2.gz BXEMRINTFXLYAF-UHFFFAOYSA-N 1 0 348.412 4.644 50 0 EJAARO C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000084651805 564069404 /nfs/dbraw/zinc/06/94/04/564069404.db2.gz KKPYVDDNQMKFQP-MRXNPFEDSA-N 1 0 344.458 4.664 50 0 EJAARO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010433880 564070839 /nfs/dbraw/zinc/07/08/39/564070839.db2.gz AJXGTKMRNKVYDU-UHFFFAOYSA-N 1 0 348.368 4.554 50 0 EJAARO CC[NH+](CC)CCOC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002171516 564076071 /nfs/dbraw/zinc/07/60/71/564076071.db2.gz XQHUZALYYSWNNH-UHFFFAOYSA-N 1 0 339.650 4.537 50 0 EJAARO OCC[C@@H](c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000043215038 564076214 /nfs/dbraw/zinc/07/62/14/564076214.db2.gz CNCMDTWAHPBVCK-QHCPKHFHSA-N 1 0 331.459 4.813 50 0 EJAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1OC ZINC000015837293 564076494 /nfs/dbraw/zinc/07/64/94/564076494.db2.gz VVLPGXSZQGKQGR-GOSISDBHSA-N 1 0 329.415 4.570 50 0 EJAARO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c(C)c1 ZINC000012910306 564077919 /nfs/dbraw/zinc/07/79/19/564077919.db2.gz GIKBZVGTBMZLFG-SFHVURJKSA-N 1 0 346.474 4.916 50 0 EJAARO Cc1ccsc1C[N@H+](CCCC(F)(F)F)Cc1ccccn1 ZINC000063846531 564081846 /nfs/dbraw/zinc/08/18/46/564081846.db2.gz FQTDIEJBKFOZMQ-UHFFFAOYSA-N 1 0 328.403 4.796 50 0 EJAARO COc1ccc2oc(/C=C\N(C)C)c(C(=O)c3ccc(C)cc3)c2c1 ZINC000006199313 564081942 /nfs/dbraw/zinc/08/19/42/564081942.db2.gz CRDBPMQHWGVLIV-QXMHVHEDSA-N 1 0 335.403 4.513 50 0 EJAARO CC1(C)C[C@H]([C@@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)CCO1 ZINC000001817952 564088732 /nfs/dbraw/zinc/08/87/32/564088732.db2.gz VGFDASKIEQFNNO-VQTJNVASSA-N 1 0 341.495 4.823 50 0 biogenic EJAARO C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000092769332 564089101 /nfs/dbraw/zinc/08/91/01/564089101.db2.gz IAUZZTXZEUXUMU-QFYYESIMSA-N 1 0 328.214 4.517 50 0 EJAARO Cc1noc(-c2ccc(-c3ccc([C@H](C)[NH+]4CCCCC4)cc3)nc2)n1 ZINC000426730545 564094464 /nfs/dbraw/zinc/09/44/64/564094464.db2.gz VRZLHHCAMAOLEW-HNNXBMFYSA-N 1 0 348.450 4.654 50 0 EJAARO CC(C)CC[C@H](CC[NH2+]C1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000006670461 564095734 /nfs/dbraw/zinc/09/57/34/564095734.db2.gz NCFHPFLZMUSCGW-GOSISDBHSA-N 1 0 336.951 4.934 50 0 EJAARO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2)c1 ZINC000006784915 564097724 /nfs/dbraw/zinc/09/77/24/564097724.db2.gz IQUUSXDXQLCVMD-UHFFFAOYSA-N 1 0 345.471 4.891 50 0 EJAARO CCc1c(C[NH+]2CCN(c3cc(C)ccc3C)CC2)csc1C ZINC000006797730 564098081 /nfs/dbraw/zinc/09/80/81/564098081.db2.gz YSNYAFDGYOKURA-UHFFFAOYSA-N 1 0 328.525 4.558 50 0 EJAARO CN(C)c1ccc([C@H]2C[NH2+]C3(CCCC3)c3[nH]c4ccccc4c32)cc1 ZINC000006831376 564099203 /nfs/dbraw/zinc/09/92/03/564099203.db2.gz BLLNFIQAEYQQEA-LJQANCHMSA-N 1 0 345.490 4.738 50 0 EJAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000036391781 564100556 /nfs/dbraw/zinc/10/05/56/564100556.db2.gz YQALGFOCQNRMPF-UHFFFAOYSA-N 1 0 349.261 4.842 50 0 EJAARO CC(C)[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cc2ccccc2o1 ZINC000170066028 564105187 /nfs/dbraw/zinc/10/51/87/564105187.db2.gz KPLQFLFKLDPIEF-KSFYIVLOSA-N 1 0 348.446 4.846 50 0 EJAARO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000007389222 564107590 /nfs/dbraw/zinc/10/75/90/564107590.db2.gz GNGUTLBKOLBDQP-OAQYLSRUSA-N 1 0 336.479 4.715 50 0 EJAARO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000170601619 564109386 /nfs/dbraw/zinc/10/93/86/564109386.db2.gz ZTABQPHCXYVLSJ-AUUYWEPGSA-N 1 0 340.854 4.594 50 0 EJAARO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000089904900 564115032 /nfs/dbraw/zinc/11/50/32/564115032.db2.gz AUECQLRHFAMZEW-NOQKTNJKSA-N 1 0 347.911 4.879 50 0 EJAARO CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1Nc1cc[nH+]cc1 ZINC000002205320 564121124 /nfs/dbraw/zinc/12/11/24/564121124.db2.gz PLCDYVYJCIMUCT-UHFFFAOYSA-N 1 0 343.434 4.714 50 0 EJAARO Clc1ccc([C@@H](CC[NH2+]C[C@H]2CCCO2)Cc2ccccc2)cc1 ZINC000002360434 564133710 /nfs/dbraw/zinc/13/37/10/564133710.db2.gz OQGCDSXZUITRFQ-PZJWPPBQSA-N 1 0 343.898 4.825 50 0 EJAARO C[C@@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000012556109 564135277 /nfs/dbraw/zinc/13/52/77/564135277.db2.gz GWNYATQURCVOGA-RDPOXOKHSA-N 1 0 347.543 4.767 50 0 biogenic EJAARO CC[N@H+](Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1)C(C)C ZINC000095939004 564141917 /nfs/dbraw/zinc/14/19/17/564141917.db2.gz GBKYZHAUTFOJCY-UHFFFAOYSA-N 1 0 346.858 4.528 50 0 EJAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095946716 564142250 /nfs/dbraw/zinc/14/22/50/564142250.db2.gz UOCLZCIQOCUTEB-APPDUMDISA-N 1 0 349.261 4.598 50 0 EJAARO C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)c1c(F)cccc1F ZINC000095964884 564142902 /nfs/dbraw/zinc/14/29/02/564142902.db2.gz JCDNLUAWUKKVEU-LSDHHAIUSA-N 1 0 330.422 4.977 50 0 EJAARO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000095967167 564143008 /nfs/dbraw/zinc/14/30/08/564143008.db2.gz KRGBXPSUMSLGRE-CCHLGUQTSA-N 1 0 341.520 4.715 50 0 EJAARO Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000095967914 564143073 /nfs/dbraw/zinc/14/30/73/564143073.db2.gz BJDJPGCYRQRERD-INIZCTEOSA-N 1 0 345.508 4.603 50 0 EJAARO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1cccc2ccccc21 ZINC000096027612 564144995 /nfs/dbraw/zinc/14/49/95/564144995.db2.gz ZALLAOGWOZOXPR-QFIPXVFZSA-N 1 0 333.475 4.654 50 0 EJAARO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)sc2C)cc1NC(C)=O ZINC000096476493 564148428 /nfs/dbraw/zinc/14/84/28/564148428.db2.gz GNXZAMQTLRWCFV-QWHCGFSZSA-N 1 0 346.496 4.744 50 0 EJAARO CCc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000057531669 564154826 /nfs/dbraw/zinc/15/48/26/564154826.db2.gz LEQNXKZEOMOQKJ-HXUWFJFHSA-N 1 0 333.431 4.693 50 0 EJAARO CCCC[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003128467 564155324 /nfs/dbraw/zinc/15/53/24/564155324.db2.gz MNENUMVAFKDMEM-UHFFFAOYSA-N 1 0 338.278 4.619 50 0 EJAARO C[N@H+]([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CCCCC1 ZINC000058165801 564157903 /nfs/dbraw/zinc/15/79/03/564157903.db2.gz XKUDNSUBTMRNDU-FQEVSTJZSA-N 1 0 340.442 4.770 50 0 EJAARO CC(C)(C)[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004073711 564160309 /nfs/dbraw/zinc/16/03/09/564160309.db2.gz RDBGRPXIQXRPBJ-UHFFFAOYSA-N 1 0 338.278 4.617 50 0 EJAARO COc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccco2)cc1OC ZINC000004084395 564160423 /nfs/dbraw/zinc/16/04/23/564160423.db2.gz NBBCJJMEMKWYAC-SFHVURJKSA-N 1 0 345.483 4.997 50 0 biogenic EJAARO CC1(C)C[C@H]([NH2+]CC[C@@H](Cc2ccccc2)c2ccccc2)CCO1 ZINC000032090558 564160656 /nfs/dbraw/zinc/16/06/56/564160656.db2.gz APLNCVHBUSGQIW-FCHUYYIVSA-N 1 0 337.507 4.950 50 0 EJAARO CC1(C)C[C@H]([NH2+]CCC2(c3ccc(F)cc3)CCCCC2)CCO1 ZINC000032094231 564160735 /nfs/dbraw/zinc/16/07/35/564160735.db2.gz TYSBSAYYKJVMDO-LJQANCHMSA-N 1 0 333.491 4.965 50 0 EJAARO Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[NH+]1CCCC1 ZINC000008572523 564165756 /nfs/dbraw/zinc/16/57/56/564165756.db2.gz FQMKRNNCUWLCFS-UHFFFAOYSA-N 1 0 334.419 4.637 50 0 EJAARO Cc1cccc(NC(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)c1 ZINC000010330498 564175280 /nfs/dbraw/zinc/17/52/80/564175280.db2.gz XFKBSQSMIOIFRE-OAQYLSRUSA-N 1 0 347.462 4.573 50 0 EJAARO COc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000539818840 564177651 /nfs/dbraw/zinc/17/76/51/564177651.db2.gz BKAZWKKKKCYERE-INIZCTEOSA-N 1 0 330.497 4.655 50 0 EJAARO O=C(C[NH2+]Cc1ccccc1)N1c2ccccc2C=Cc2ccccc21 ZINC000054956563 214261262 /nfs/dbraw/zinc/26/12/62/214261262.db2.gz BHQGHPSHSGEJMA-UHFFFAOYSA-N 1 0 340.426 4.625 50 0 EJAARO CC[C@H]([NH2+]Cc1cnc(-c2cccc(C)c2)nc1)c1ccc(F)cc1 ZINC000055088028 214270324 /nfs/dbraw/zinc/27/03/24/214270324.db2.gz JZZIOSHUBLGTQI-FQEVSTJZSA-N 1 0 335.426 4.832 50 0 EJAARO CCCCCCOc1ccccc1NC(=O)OC[C@H]1CCCC[N@@H+]1C ZINC000004566635 210221960 /nfs/dbraw/zinc/22/19/60/210221960.db2.gz BETFOLQBMHYFBR-QGZVFWFLSA-N 1 0 348.487 4.679 50 0 EJAARO CCCCOc1ccccc1NC(=O)O[C@@H]1CCCC[C@@H]1C[NH+](C)C ZINC000004566966 210221555 /nfs/dbraw/zinc/22/15/55/210221555.db2.gz YAVCUODFBOMBEB-SJLPKXTDSA-N 1 0 348.487 4.534 50 0 EJAARO CCc1cccc(C)c1NC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000048303251 213916583 /nfs/dbraw/zinc/91/65/83/213916583.db2.gz KHLFZFLPIOSWST-LJQANCHMSA-N 1 0 345.531 4.580 50 0 EJAARO C[NH2+]CCCn1cnc(-c2ccccc2)c1-c1ccc(Cl)cc1F ZINC000065499026 214934559 /nfs/dbraw/zinc/93/45/59/214934559.db2.gz MCQBPUSXHWHMRW-UHFFFAOYSA-N 1 0 343.833 4.619 50 0 EJAARO C[C@@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000004005769 210098279 /nfs/dbraw/zinc/09/82/79/210098279.db2.gz GWNYATQURCVOGA-BOFXEDATSA-N 1 0 347.543 4.767 50 0 biogenic EJAARO [NH3+]CCCCc1c2cc(Cl)cc(Cl)c2[nH]c1-c1cccnc1 ZINC000003740879 210073293 /nfs/dbraw/zinc/07/32/93/210073293.db2.gz YVCIYEUWRNKWKA-UHFFFAOYSA-N 1 0 334.250 4.818 50 0 EJAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000002942414 209943115 /nfs/dbraw/zinc/94/31/15/209943115.db2.gz RJZFSIBXXSISDE-KRWDZBQOSA-N 1 0 335.532 4.528 50 0 EJAARO Cc1cc(Br)ccc1OCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002824873 209924387 /nfs/dbraw/zinc/92/43/87/209924387.db2.gz VWMVMSIKIGCBCD-OKILXGFUSA-N 1 0 340.305 4.504 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000002514517 209860867 /nfs/dbraw/zinc/86/08/67/209860867.db2.gz MUAZJIUMBOIQAQ-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO C[C@H](O)C[NH2+]Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000039976523 213248096 /nfs/dbraw/zinc/24/80/96/213248096.db2.gz GERPRZSRWJFGGM-SFHVURJKSA-N 1 0 332.447 4.627 50 0 EJAARO O=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038833790 213227890 /nfs/dbraw/zinc/22/78/90/213227890.db2.gz PLRJFDMIMMQSMI-UHFFFAOYSA-N 1 0 342.870 4.968 50 0 EJAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000023231369 202100237 /nfs/dbraw/zinc/10/02/37/202100237.db2.gz RWMZTJPKYORNEA-MRXNPFEDSA-N 1 0 331.891 4.641 50 0 EJAARO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000036408775 213098293 /nfs/dbraw/zinc/09/82/93/213098293.db2.gz PBWZGCKMUODASB-VFNWGFHPSA-N 1 0 348.446 4.585 50 0 EJAARO Cc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1cccc(F)c1 ZINC000036348307 213086508 /nfs/dbraw/zinc/08/65/08/213086508.db2.gz FFAXIXFRRMLXMB-JOCHJYFZSA-N 1 0 334.438 4.931 50 0 EJAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC000036031637 213056250 /nfs/dbraw/zinc/05/62/50/213056250.db2.gz HAIRCBXPJLYHGO-HSZRJFAPSA-N 1 0 331.459 4.731 50 0 EJAARO Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000032740433 202232247 /nfs/dbraw/zinc/23/22/47/202232247.db2.gz FTLSQZGNONZUMH-UHFFFAOYSA-N 1 0 343.430 4.731 50 0 EJAARO Cc1ccc(-c2noc(C[N@H+](Cc3ccccc3)[C@H](C)C3CC3)n2)cc1 ZINC000032819979 202236583 /nfs/dbraw/zinc/23/65/83/202236583.db2.gz KWDJJXUHNVWVPE-QGZVFWFLSA-N 1 0 347.462 4.846 50 0 EJAARO Cc1cc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c(C)o1 ZINC000032903622 202241087 /nfs/dbraw/zinc/24/10/87/202241087.db2.gz VBQOTAVBPFIUJF-UHFFFAOYSA-N 1 0 340.467 4.913 50 0 EJAARO Cc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1ccccc1F ZINC000036348301 202321240 /nfs/dbraw/zinc/32/12/40/202321240.db2.gz HXKPTQQHXDSKCO-JOCHJYFZSA-N 1 0 334.438 4.931 50 0 EJAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347244 202322167 /nfs/dbraw/zinc/32/21/67/202322167.db2.gz GYVRUFQUHMBACU-JOCHJYFZSA-N 1 0 334.438 4.931 50 0 EJAARO c1cc([C@H]2CCCCO2)sc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000072428463 216219335 /nfs/dbraw/zinc/21/93/35/216219335.db2.gz KWZNPPKAQQTKME-LJQANCHMSA-N 1 0 342.508 4.764 50 0 EJAARO CC[NH+](CC)CCn1c2ccccc2c(C)c1C(=O)c1ccc(C)cc1 ZINC000072434031 216228527 /nfs/dbraw/zinc/22/85/27/216228527.db2.gz OTUKQXLWBNDXBN-UHFFFAOYSA-N 1 0 348.490 4.831 50 0 EJAARO Cc1cnc(NC(=O)c2ccc([C@@H]3CCC[N@H+]3CC(C)C)s2)s1 ZINC000023379608 212373129 /nfs/dbraw/zinc/37/31/29/212373129.db2.gz TYAFQDLNKKJACB-ZDUSSCGKSA-N 1 0 349.525 4.558 50 0 EJAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000023280221 212366527 /nfs/dbraw/zinc/36/65/27/212366527.db2.gz HORALTXJBPFJMB-CQSZACIVSA-N 1 0 348.284 4.569 50 0 EJAARO Clc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000022852722 212328672 /nfs/dbraw/zinc/32/86/72/212328672.db2.gz LJCOSZWKFZCOAV-OAHLLOKOSA-N 1 0 325.843 4.596 50 0 EJAARO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1 ZINC000022199641 212282144 /nfs/dbraw/zinc/28/21/44/212282144.db2.gz ZBMRNWBYZIDQCY-UHFFFAOYSA-N 1 0 343.279 4.516 50 0 EJAARO c1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000215410861 241125255 /nfs/dbraw/zinc/12/52/55/241125255.db2.gz MOZVVQIKFOCBHN-GOSISDBHSA-N 1 0 341.524 4.513 50 0 EJAARO C[C@@H](c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1)[NH+]1CCCCC1 ZINC000215661931 241138121 /nfs/dbraw/zinc/13/81/21/241138121.db2.gz WZFQLAOVACZDBN-SFHVURJKSA-N 1 0 346.478 4.540 50 0 EJAARO C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000000406581 201469100 /nfs/dbraw/zinc/46/91/00/201469100.db2.gz FOINBVXLWLHZNX-HKUYNNGSSA-N 1 0 344.458 4.506 50 0 EJAARO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000021791652 212250027 /nfs/dbraw/zinc/25/00/27/212250027.db2.gz DLKZMTFJPGPGSG-LJQANCHMSA-N 1 0 339.389 4.692 50 0 EJAARO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)cc1O ZINC000021021045 212200570 /nfs/dbraw/zinc/20/05/70/212200570.db2.gz GZBFVTXYOMABGN-SNVBAGLBSA-N 1 0 326.223 4.558 50 0 EJAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3C)c(C)o2)c(C)c1C ZINC000020997583 212196854 /nfs/dbraw/zinc/19/68/54/212196854.db2.gz JOIIMOAUGRADGC-CYBMUJFWSA-N 1 0 328.456 4.650 50 0 EJAARO CCC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868951 212180196 /nfs/dbraw/zinc/18/01/96/212180196.db2.gz LXOUQWUIIDDGAH-FGZHOGPDSA-N 1 0 341.470 4.693 50 0 EJAARO C[C@@H]1[C@H](O)C[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000020806550 212173714 /nfs/dbraw/zinc/17/37/14/212173714.db2.gz BPCLELONGIWKCR-KJGCIYADSA-N 1 0 336.262 4.766 50 0 EJAARO CC(C)Oc1ccc([C@H](O)[C@H](C)[NH2+]CCCCc2ccccc2)cc1 ZINC000071769680 203111797 /nfs/dbraw/zinc/11/17/97/203111797.db2.gz QDKRPNIRRVUUQY-PGRDOPGGSA-N 1 0 341.495 4.508 50 0 EJAARO Cc1cc(Cl)cc(Cl)c1OCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167451 212108696 /nfs/dbraw/zinc/10/86/96/212108696.db2.gz IHHCNZDGHQJZAX-ZIAGYGMSSA-N 1 0 346.298 4.570 50 0 EJAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000019636558 212053660 /nfs/dbraw/zinc/05/36/60/212053660.db2.gz WAGXZLCRUSCTIW-UHFFFAOYSA-N 1 0 337.294 4.557 50 0 EJAARO CCN(CC[NH+](CC)CC)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000019608617 212051354 /nfs/dbraw/zinc/05/13/54/212051354.db2.gz GORNIYWCKKPZFH-UHFFFAOYSA-N 1 0 334.891 4.764 50 0 EJAARO c1ccc(N2CC[NH+](Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019313340 212014310 /nfs/dbraw/zinc/01/43/10/212014310.db2.gz AMOVYNJAYJMSNB-UHFFFAOYSA-N 1 0 341.458 4.574 50 0 EJAARO COc1ccccc1[C@H](C)[N@H+](C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000015064906 211794021 /nfs/dbraw/zinc/79/40/21/211794021.db2.gz WAODTHSAZFHTQQ-KRWDZBQOSA-N 1 0 349.478 4.895 50 0 EJAARO Cc1ccc([C@H](CC[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c2ccco2)cc1 ZINC000013654346 211599600 /nfs/dbraw/zinc/59/96/00/211599600.db2.gz BGTUPBQBRXSYOP-RZUBCFFCSA-N 1 0 341.495 4.903 50 0 EJAARO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000003418379 206468258 /nfs/dbraw/zinc/46/82/58/206468258.db2.gz ODGZLHOIZGXATR-UKRRQHHQSA-N 1 0 348.314 4.538 50 0 EJAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000012244015 211329724 /nfs/dbraw/zinc/32/97/24/211329724.db2.gz XLIYENZIUOKTLX-MJGOQNOKSA-N 1 0 325.500 4.591 50 0 EJAARO CSc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)c(C)c2)c1 ZINC000012305478 211340082 /nfs/dbraw/zinc/34/00/82/211340082.db2.gz VZDHHUFIAPCAMS-UHFFFAOYSA-N 1 0 337.492 4.705 50 0 EJAARO CC(C)=CC[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000011912260 211267912 /nfs/dbraw/zinc/26/79/12/211267912.db2.gz KUTXTNKUJILMOZ-AWEZNQCLSA-N 1 0 331.410 4.501 50 0 EJAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC000091534936 218017969 /nfs/dbraw/zinc/01/79/69/218017969.db2.gz VFIVNUFVUBOTNW-NRFANRHFSA-N 1 0 344.474 4.546 50 0 EJAARO Cc1cccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)c1 ZINC000011782466 211248312 /nfs/dbraw/zinc/24/83/12/211248312.db2.gz TXHBCISSMRMMDF-UHFFFAOYSA-N 1 0 349.453 4.904 50 0 EJAARO Cc1ccc2c(C[N@@H+](Cc3ccccc3)C(C)C)cc(=O)oc2c1C ZINC000010929947 211195935 /nfs/dbraw/zinc/19/59/35/211195935.db2.gz RGBABLLOHILJKJ-UHFFFAOYSA-N 1 0 335.447 4.820 50 0 EJAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccccc1F ZINC000010436014 211173148 /nfs/dbraw/zinc/17/31/48/211173148.db2.gz AXQSEMKKQHUYAF-UHFFFAOYSA-N 1 0 337.822 4.565 50 0 EJAARO CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010436529 211172956 /nfs/dbraw/zinc/17/29/56/211172956.db2.gz UEJNABDYSCIEBP-UHFFFAOYSA-N 1 0 348.284 4.916 50 0 EJAARO CCc1cccc2c(=O)c(C[N@H+](CC)Cc3ccccc3)c(C)[nH]c12 ZINC000008926973 211019877 /nfs/dbraw/zinc/01/98/77/211019877.db2.gz NYCGFWPKWIWKNK-UHFFFAOYSA-N 1 0 334.463 4.833 50 0 EJAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008700903 210983628 /nfs/dbraw/zinc/98/36/28/210983628.db2.gz YNBAPWJEYVAXCO-UHFFFAOYSA-N 1 0 330.472 4.660 50 0 EJAARO COc1cccc2cc([C@H](C)[NH2+][C@H](C)c3cnn(C(C)C)c3)oc21 ZINC000095419643 218359517 /nfs/dbraw/zinc/35/95/17/218359517.db2.gz UZSGHLDVSSPDNI-KGLIPLIRSA-N 1 0 327.428 4.631 50 0 EJAARO CC[C@H]([NH2+][C@H](C)c1ccc(Br)s1)c1ccncc1 ZINC000095423136 218365149 /nfs/dbraw/zinc/36/51/49/218365149.db2.gz ZGNREPSBZXWIQI-PWSUYJOCSA-N 1 0 325.275 4.708 50 0 EJAARO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000007538644 210812143 /nfs/dbraw/zinc/81/21/43/210812143.db2.gz CHFZHMPWWFJIDG-UHFFFAOYSA-N 1 0 327.811 4.898 50 0 EJAARO Cc1cc2c(cc1C)N1CCC[NH+]=C1N2Cc1ccc(Cl)cc1 ZINC000005043425 210373625 /nfs/dbraw/zinc/37/36/25/210373625.db2.gz RYHDJWCZARFFAF-UHFFFAOYSA-N 1 0 325.843 4.543 50 0 EJAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000004985998 210349833 /nfs/dbraw/zinc/34/98/33/210349833.db2.gz KYBHBJWRNZYZBZ-AWEZNQCLSA-N 1 0 337.385 4.825 50 0 EJAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000004982694 210347620 /nfs/dbraw/zinc/34/76/20/210347620.db2.gz NAHNPQKHHDCWMN-NRFANRHFSA-N 1 0 332.447 4.971 50 0 EJAARO C[C@@H](c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1)[NH+]1CCCCC1 ZINC000426661369 257959068 /nfs/dbraw/zinc/95/90/68/257959068.db2.gz RHBOUZWMLBMWAZ-KRWDZBQOSA-N 1 0 336.479 4.602 50 0 EJAARO Brc1c(OCCCC[NH+]2CCCC2)ccc2ccccc21 ZINC000003003191 518206193 /nfs/dbraw/zinc/20/61/93/518206193.db2.gz WMLWXIYHBGFUGG-UHFFFAOYSA-N 1 0 348.284 4.857 50 0 EJAARO CCC[NH+](CCC)CCCOC(=O)c1ccc(Cl)cc1Cl ZINC000003002770 521646642 /nfs/dbraw/zinc/64/66/42/521646642.db2.gz OJIYCKBQGMYSRY-UHFFFAOYSA-N 1 0 332.271 4.662 50 0 EJAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000169643388 526098042 /nfs/dbraw/zinc/09/80/42/526098042.db2.gz SGRXPZXZFVLCLR-XXBNENTESA-N 1 0 343.470 4.758 50 0 EJAARO O=C(c1ccccc1)c1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000003000516 526798076 /nfs/dbraw/zinc/79/80/76/526798076.db2.gz UQUFPSCXDFTXNV-UHFFFAOYSA-N 1 0 337.463 4.563 50 0 EJAARO CC[C@H](C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770367 563924839 /nfs/dbraw/zinc/92/48/39/563924839.db2.gz GVBIJYSQAGRSAT-KBPBESRZSA-N 1 0 340.305 4.731 50 0 EJAARO CC[C@H](C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770383 563924866 /nfs/dbraw/zinc/92/48/66/563924866.db2.gz FMEVYXJNSPYRRN-ZFWWWQNUSA-N 1 0 340.305 4.874 50 0 EJAARO Cc1ccc(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=[NH2+])cc1 ZINC000000178323 563253419 /nfs/dbraw/zinc/25/34/19/563253419.db2.gz YBBRQBNEGMHXRA-OAQYLSRUSA-N 1 0 340.426 4.760 50 0 EJAARO CC[NH+](CC)CCSc1nc2ccccc2n1Cc1ccccc1 ZINC000000191606 563256926 /nfs/dbraw/zinc/25/69/26/563256926.db2.gz QUJNKGCDRGOWDG-UHFFFAOYSA-N 1 0 339.508 4.519 50 0 EJAARO CCOc1ccccc1N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000000282759 563272289 /nfs/dbraw/zinc/27/22/89/563272289.db2.gz BLOBVCBMMRAYAW-UHFFFAOYSA-N 1 0 338.495 4.531 50 0 EJAARO C[NH+](C)Cc1ccccc1Sc1ccc(Br)s1 ZINC000000346606 563287667 /nfs/dbraw/zinc/28/76/67/563287667.db2.gz WTNGDPKBAHYYGR-UHFFFAOYSA-N 1 0 328.300 4.723 50 0 EJAARO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000034878955 563362382 /nfs/dbraw/zinc/36/23/82/563362382.db2.gz OKINKJRZLKXZEO-QGZVFWFLSA-N 1 0 334.463 4.748 50 0 EJAARO CC1(C)C[C@@H](C[NH2+]CC[C@@H](c2ccco2)c2ccc(F)cc2)CCO1 ZINC000001821197 563413773 /nfs/dbraw/zinc/41/37/73/563413773.db2.gz PVZQSKKTJZATRH-QFBILLFUSA-N 1 0 345.458 4.736 50 0 EJAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000002514921 563435921 /nfs/dbraw/zinc/43/59/21/563435921.db2.gz LTEDXXFBYSRTBS-UHFFFAOYSA-N 1 0 332.230 4.596 50 0 EJAARO O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1C[NH+]1CCCC1 ZINC000002515575 563437140 /nfs/dbraw/zinc/43/71/40/563437140.db2.gz ANCOURQSNRSBFP-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO c1ccc(C(CC[NH2+][C@@H]2COc3ccccc32)c2ccccc2)cc1 ZINC000004072722 563493528 /nfs/dbraw/zinc/49/35/28/563493528.db2.gz NAGLGNADMULCCZ-JOCHJYFZSA-N 1 0 329.443 4.932 50 0 EJAARO Cc1cc2c(cc1C)N1CCC[NH+]=C1N2Cc1ccccc1Cl ZINC000005043460 563519863 /nfs/dbraw/zinc/51/98/63/563519863.db2.gz YBJMPZALLZZPKJ-UHFFFAOYSA-N 1 0 325.843 4.543 50 0 EJAARO Clc1cccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)c1 ZINC000007524836 563604284 /nfs/dbraw/zinc/60/42/84/563604284.db2.gz TYGPYKZFMXGYBM-UHFFFAOYSA-N 1 0 341.794 4.619 50 0 EJAARO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008253986 563624661 /nfs/dbraw/zinc/62/46/61/563624661.db2.gz UHZAVJTVSSKQHU-UHFFFAOYSA-N 1 0 349.833 4.709 50 0 EJAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+]1CCC(C)CC1 ZINC000008717970 563637380 /nfs/dbraw/zinc/63/73/80/563637380.db2.gz XGOFSKTVJROTAW-UHFFFAOYSA-N 1 0 342.483 4.516 50 0 EJAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c1 ZINC000010315373 563646948 /nfs/dbraw/zinc/64/69/48/563646948.db2.gz XMHOPRIBBXBCIE-UHFFFAOYSA-N 1 0 332.325 4.650 50 0 EJAARO CSc1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000012571154 563663367 /nfs/dbraw/zinc/66/33/67/563663367.db2.gz JYBAZRABEHGDJE-HNNXBMFYSA-N 1 0 337.492 4.753 50 0 EJAARO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000014199147 563749759 /nfs/dbraw/zinc/74/97/59/563749759.db2.gz ARLUJHUOHHKIOC-NRFANRHFSA-N 1 0 344.414 4.517 50 0 EJAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032851132 563762679 /nfs/dbraw/zinc/76/26/79/563762679.db2.gz DCEXNQQVSQZKPR-BZNIZROVSA-N 1 0 349.261 4.598 50 0 EJAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014951013 563767556 /nfs/dbraw/zinc/76/75/56/563767556.db2.gz CEIGJLJPZNTIDK-OAHLLOKOSA-N 1 0 338.476 4.633 50 0 EJAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2Sc1ccc(Cl)cc1 ZINC000015906460 563799701 /nfs/dbraw/zinc/79/97/01/563799701.db2.gz MXEIBCYOSABGBK-PKOBYXMFSA-N 1 0 344.911 4.963 50 0 EJAARO COc1ccc(C(C)=O)cc1C[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000016439005 563811347 /nfs/dbraw/zinc/81/13/47/563811347.db2.gz JNOHKBALKQJYFU-UHFFFAOYSA-N 1 0 341.495 4.546 50 0 EJAARO CCCCc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000017071742 563834948 /nfs/dbraw/zinc/83/49/48/563834948.db2.gz ZLVTYLZCAZPYMU-UHFFFAOYSA-N 1 0 343.515 4.511 50 0 EJAARO Clc1ccccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019537628 563856300 /nfs/dbraw/zinc/85/63/00/563856300.db2.gz PWPSWWLYGOCHNA-UHFFFAOYSA-N 1 0 336.866 4.815 50 0 EJAARO c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000023989917 563867849 /nfs/dbraw/zinc/86/78/49/563867849.db2.gz ZIZIXFSOLVCOOO-CQSZACIVSA-N 1 0 349.459 4.817 50 0 EJAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000029484425 563906769 /nfs/dbraw/zinc/90/67/69/563906769.db2.gz MAWRXXWLIFNTLF-GOSISDBHSA-N 1 0 342.870 4.515 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)cc2)cc1O ZINC000033087144 563914946 /nfs/dbraw/zinc/91/49/46/563914946.db2.gz QPWSXRYQSRHUAI-LJQANCHMSA-N 1 0 325.452 4.827 50 0 EJAARO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)c1OC ZINC000033087264 563915112 /nfs/dbraw/zinc/91/51/12/563915112.db2.gz QMMIBYHLGODFQZ-LJQANCHMSA-N 1 0 343.442 4.960 50 0 EJAARO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)ccc1O ZINC000033087315 563915175 /nfs/dbraw/zinc/91/51/75/563915175.db2.gz DHXSCCNSCZVFHJ-INIZCTEOSA-N 1 0 331.481 4.970 50 0 EJAARO c1ccc(CCN2CS[C@@H](COc3cccc4ccccc43)C2)cc1 ZINC000033766629 563916454 /nfs/dbraw/zinc/91/64/54/563916454.db2.gz JQNXEZCVGKLDAA-HXUWFJFHSA-N 1 0 349.499 4.836 50 0 EJAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000023282593 563919399 /nfs/dbraw/zinc/91/93/99/563919399.db2.gz GLGUJWXQPAOYNK-CQSZACIVSA-N 1 0 337.385 4.825 50 0 EJAARO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000038835216 563922339 /nfs/dbraw/zinc/92/23/39/563922339.db2.gz PXXWPGZJOVXYJD-UHFFFAOYSA-N 1 0 336.479 4.932 50 0 EJAARO CC(C)C[N@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1ccccn1 ZINC000055133904 563933742 /nfs/dbraw/zinc/93/37/42/563933742.db2.gz RJHSFFBHPAKFQP-LJQANCHMSA-N 1 0 328.456 4.574 50 0 EJAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cccn1-c1cccnc1 ZINC000055244461 563934164 /nfs/dbraw/zinc/93/41/64/563934164.db2.gz ISQYJYMLDCFIMI-MRXNPFEDSA-N 1 0 325.481 4.735 50 0 EJAARO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(CC)no2)cc1 ZINC000064984394 563957441 /nfs/dbraw/zinc/95/74/41/563957441.db2.gz GKDRWZLUJJFZSU-LJQANCHMSA-N 1 0 328.456 4.753 50 0 EJAARO Cc1c2ccccc2oc1-c1c(-c2ccccc2)ncn1[C@@H]1CC[NH2+]C1 ZINC000065505920 563961738 /nfs/dbraw/zinc/96/17/38/563961738.db2.gz JCUNGEVQEITLCW-QGZVFWFLSA-N 1 0 343.430 4.806 50 0 EJAARO COc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)nc1 ZINC000097033732 563966886 /nfs/dbraw/zinc/96/68/86/563966886.db2.gz RLWVSUNIQOKJOO-UHFFFAOYSA-N 1 0 330.859 4.693 50 0 EJAARO Cc1ccc2[nH+]c3c(c(Nc4ccc5c(c4)OCCO5)c2c1)CCC3 ZINC000000037995 563968368 /nfs/dbraw/zinc/96/83/68/563968368.db2.gz DVAUHDRQKGXLCV-UHFFFAOYSA-N 1 0 332.403 4.547 50 0 EJAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2csc3ccccc23)cc1 ZINC000061048631 563992411 /nfs/dbraw/zinc/99/24/11/563992411.db2.gz QLNPBOFHVFZAQM-UHFFFAOYSA-N 1 0 337.423 4.720 50 0 EJAARO C[N@H+](C[C@@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000247945702 563994822 /nfs/dbraw/zinc/99/48/22/563994822.db2.gz AZLVFMJMZBMGFL-FGZHOGPDSA-N 1 0 335.422 4.581 50 0 EJAARO CC(C)(C)[C@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 ZINC000136066038 563997572 /nfs/dbraw/zinc/99/75/72/563997572.db2.gz NUFMXUVBRHSLPS-DLBZAZTESA-N 1 0 330.497 4.872 50 0 EJAARO O=C(C[NH+]1CCCCCC1)N1c2ccccc2C=Cc2ccccc21 ZINC000000027741 563999702 /nfs/dbraw/zinc/99/97/02/563999702.db2.gz IHTGWHZTCSJXTB-UHFFFAOYSA-N 1 0 332.447 4.711 50 0 EJAARO C[NH2+]CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000148980103 564013325 /nfs/dbraw/zinc/01/33/25/564013325.db2.gz ZPJUJGQNRPSMEK-UHFFFAOYSA-N 1 0 347.458 4.607 50 0 EJAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000014168501 564021608 /nfs/dbraw/zinc/02/16/08/564021608.db2.gz XBJCJBGPJFKXGZ-GFCCVEGCSA-N 1 0 336.357 4.515 50 0 EJAARO Fc1ccc(C[C@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)cc1 ZINC000048309184 564030743 /nfs/dbraw/zinc/03/07/43/564030743.db2.gz ODFVIDSXLFGYLT-QGZVFWFLSA-N 1 0 342.439 4.749 50 0 EJAARO Cc1ccc(C[n+]2cn(Cc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000252490012 564053458 /nfs/dbraw/zinc/05/34/58/564053458.db2.gz KHFZXDUGUYLGKJ-UHFFFAOYSA-N 1 0 347.869 4.987 50 0 EJAARO COc1ccc2cc(C[NH2+][C@@H](C)c3ccc(F)cc3F)ccc2c1 ZINC000025363181 564054253 /nfs/dbraw/zinc/05/42/53/564054253.db2.gz LJHDWMWAFUIVCN-ZDUSSCGKSA-N 1 0 327.374 4.977 50 0 EJAARO COc1ccc2cc(C[NH2+][C@H](C)c3ccc(F)cc3F)ccc2c1 ZINC000025363185 564054263 /nfs/dbraw/zinc/05/42/63/564054263.db2.gz LJHDWMWAFUIVCN-CYBMUJFWSA-N 1 0 327.374 4.977 50 0 EJAARO CC[N@H+](Cc1ccncc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000006026432 564057691 /nfs/dbraw/zinc/05/76/91/564057691.db2.gz QQHKRDZRGLRBLB-UHFFFAOYSA-N 1 0 332.447 4.683 50 0 EJAARO C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[NH+]1CCCC1 ZINC000012520390 564058098 /nfs/dbraw/zinc/05/80/98/564058098.db2.gz CUFMAJNGORLFDW-OAHLLOKOSA-N 1 0 339.870 4.895 50 0 EJAARO COc1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000534583221 564061114 /nfs/dbraw/zinc/06/11/14/564061114.db2.gz DKIGCUMCXZZRSN-OAHLLOKOSA-N 1 0 341.451 4.536 50 0 EJAARO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000083952290 564065078 /nfs/dbraw/zinc/06/50/78/564065078.db2.gz HULCOLKOTPWQNK-YJBOKZPZSA-N 1 0 326.440 4.505 50 0 EJAARO COc1ccc(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)cc1F ZINC000083953174 564065187 /nfs/dbraw/zinc/06/51/87/564065187.db2.gz UAUPVTVNJSGQAD-UHFFFAOYSA-N 1 0 345.414 4.992 50 0 EJAARO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000084691956 564069645 /nfs/dbraw/zinc/06/96/45/564069645.db2.gz LNKVEKLVCUJCFQ-APWZRJJASA-N 1 0 342.483 4.603 50 0 EJAARO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 ZINC000012869675 564075986 /nfs/dbraw/zinc/07/59/86/564075986.db2.gz LWWFAARRZYXROW-GJZGRUSLSA-N 1 0 336.410 4.657 50 0 EJAARO Cc1csc2[n+]1[C@H](c1ccccc1)c1cc(Cl)ccc1N2C ZINC000003199958 564076018 /nfs/dbraw/zinc/07/60/18/564076018.db2.gz RCECMLXAHUOJSD-QGZVFWFLSA-N 1 0 327.860 4.716 50 0 EJAARO CC(C)[C@H]1C[C@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1 ZINC000001774067 564087484 /nfs/dbraw/zinc/08/74/84/564087484.db2.gz UMCUDUUEJCLEGK-NHCUHLMSSA-N 1 0 327.468 4.532 50 0 biogenic EJAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000239275172 564088030 /nfs/dbraw/zinc/08/80/30/564088030.db2.gz BGOONDJWFCOMKF-WFASDCNBSA-N 1 0 334.872 4.566 50 0 EJAARO CC1=C[C@@H](C)[C@@H](C[N@@H+](CCO)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1 ZINC000244712675 564088550 /nfs/dbraw/zinc/08/85/50/564088550.db2.gz KUFAUZJRIITNBN-DPJYLNSSSA-N 1 0 333.560 4.758 50 0 EJAARO COc1ccc(CCn2c3ccc(C)cc3c3c2CCC[N@@H+](C)C3)cc1 ZINC000075567524 564089540 /nfs/dbraw/zinc/08/95/40/564089540.db2.gz IOCNAYQXBFPPHY-UHFFFAOYSA-N 1 0 348.490 4.579 50 0 EJAARO C[C@@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744135 564096825 /nfs/dbraw/zinc/09/68/25/564096825.db2.gz KHTUVFPJQCSGIT-LEWJYISDSA-N 1 0 343.898 4.817 50 0 EJAARO C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000007016094 564103174 /nfs/dbraw/zinc/10/31/74/564103174.db2.gz DRXRKRLRCUCMSJ-QGZVFWFLSA-N 1 0 330.431 4.790 50 0 EJAARO C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000007016092 564103199 /nfs/dbraw/zinc/10/31/99/564103199.db2.gz DRXRKRLRCUCMSJ-KRWDZBQOSA-N 1 0 330.431 4.790 50 0 EJAARO CCCCCOc1ccc([C@](O)(CC[NH+](C)C)C2CCCCC2)cc1 ZINC000002193326 564120728 /nfs/dbraw/zinc/12/07/28/564120728.db2.gz FCOCMDJFHNPRQP-QFIPXVFZSA-N 1 0 347.543 4.975 50 0 EJAARO Cc1cc(C)cc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)c1 ZINC000065890923 564121987 /nfs/dbraw/zinc/12/19/87/564121987.db2.gz GPNLDQAHLZEBFF-UHFFFAOYSA-N 1 0 336.410 4.920 50 0 EJAARO CC(C)C[NH+](Cc1cc(=O)oc2cc3c(cc12)CCCC3)CC(C)C ZINC000002212220 564122809 /nfs/dbraw/zinc/12/28/09/564122809.db2.gz UOTCXZQPPGVWSY-UHFFFAOYSA-N 1 0 341.495 4.786 50 0 EJAARO CC(C)CC[C@H](CC[NH2+]Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000002323732 564132303 /nfs/dbraw/zinc/13/23/03/564132303.db2.gz UQAUOPVSUTUMKP-MRXNPFEDSA-N 1 0 329.440 4.708 50 0 EJAARO Cc1cc([C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C(C)C)c(C)s1 ZINC000095409648 564139637 /nfs/dbraw/zinc/13/96/37/564139637.db2.gz QYBANGOGCTVYKS-PGRDOPGGSA-N 1 0 335.538 4.589 50 0 EJAARO Cc1csc([C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C2CC2)n1 ZINC000095418540 564139802 /nfs/dbraw/zinc/13/98/02/564139802.db2.gz SBRJCLHFICGINB-KRWDZBQOSA-N 1 0 343.883 4.894 50 0 EJAARO COc1cc([C@H](C)[NH2+]Cc2cccc3cccnc32)ccc1SC ZINC000095421286 564139957 /nfs/dbraw/zinc/13/99/57/564139957.db2.gz KDGWIXSNXLLTIC-AWEZNQCLSA-N 1 0 338.476 4.816 50 0 EJAARO C[C@H]([NH2+][C@@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000095423500 564140208 /nfs/dbraw/zinc/14/02/08/564140208.db2.gz GNTTXLPMWGIIQE-SOZPDYFUSA-N 1 0 349.446 4.504 50 0 EJAARO Cc1nc(CC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)cs1 ZINC000095996262 564144235 /nfs/dbraw/zinc/14/42/35/564144235.db2.gz KDMHRHWFHJBXCC-FQEVSTJZSA-N 1 0 349.459 4.514 50 0 EJAARO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 ZINC000028352279 564150984 /nfs/dbraw/zinc/15/09/84/564150984.db2.gz UQZJTEIEXIRSBI-HUUCEWRRSA-N 1 0 336.410 4.657 50 0 EJAARO Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc2c1C ZINC000057463288 564154382 /nfs/dbraw/zinc/15/43/82/564154382.db2.gz BBSGRBSENAGVLN-FQEVSTJZSA-N 1 0 333.431 4.747 50 0 EJAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717981 564166885 /nfs/dbraw/zinc/16/68/85/564166885.db2.gz KVMTXMJKDBSRLD-UHFFFAOYSA-N 1 0 336.863 4.533 50 0 EJAARO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1cccc2ccccc21 ZINC000071857913 564176115 /nfs/dbraw/zinc/17/61/15/564176115.db2.gz PDISLSVNNDHLII-OAHLLOKOSA-N 1 0 328.415 4.532 50 0 EJAARO C[C@H]([NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000058447280 214589908 /nfs/dbraw/zinc/58/99/08/214589908.db2.gz OQLDJJSYOMHANO-SFHVURJKSA-N 1 0 342.527 4.831 50 0 EJAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccccc1 ZINC000004488573 210200841 /nfs/dbraw/zinc/20/08/41/210200841.db2.gz DVYVFKCGMBSCBZ-UHFFFAOYSA-N 1 0 337.419 4.547 50 0 EJAARO Clc1ccc(CN2c3ccccc3N3CCC[NH+]=C23)cc1Cl ZINC000100573174 219102084 /nfs/dbraw/zinc/10/20/84/219102084.db2.gz MWAUQHLNXGQFJC-UHFFFAOYSA-N 1 0 332.234 4.580 50 0 EJAARO c1c[n+](C23CC4CC(CC(C4)C2)C3)cn1C12CC3CC(CC(C3)C1)C2 ZINC000004291193 210162755 /nfs/dbraw/zinc/16/27/55/210162755.db2.gz SAYJSSIMFYICKR-UHFFFAOYSA-N 1 0 337.531 4.626 50 0 EJAARO c1c(C[NH2+]Cc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000004173596 210138206 /nfs/dbraw/zinc/13/82/06/210138206.db2.gz HKRRTKQXCGUSQX-UHFFFAOYSA-N 1 0 326.443 4.979 50 0 EJAARO Cc1cc(OC[C@H](O)C[NH+](C(C)C)C(C)C)c(C(C)C)cc1Cl ZINC000003391481 210025746 /nfs/dbraw/zinc/02/57/46/210025746.db2.gz KBTDZNRZQOCYEW-MRXNPFEDSA-N 1 0 341.923 4.630 50 0 EJAARO Cc1cc2oc(=O)cc(C[N@H+](C)C3CCCCC3)c2cc1C(C)C ZINC000003348241 210014614 /nfs/dbraw/zinc/01/46/14/210014614.db2.gz IZGGGCZXPUGMHH-UHFFFAOYSA-N 1 0 327.468 4.989 50 0 EJAARO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000037507759 202003499 /nfs/dbraw/zinc/00/34/99/202003499.db2.gz SORHILJROYFRNC-OLZOCXBDSA-N 1 0 334.257 4.870 50 0 EJAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000039400594 213235994 /nfs/dbraw/zinc/23/59/94/213235994.db2.gz ZSGQDDJDISZTLL-HXUWFJFHSA-N 1 0 331.463 4.765 50 0 EJAARO c1ccc(-c2ccccc2OCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020324348 202038269 /nfs/dbraw/zinc/03/82/69/202038269.db2.gz NFROREFQWKJXAY-UHFFFAOYSA-N 1 0 329.443 4.791 50 0 EJAARO Cc1ccc([C@@](O)(C(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000020868916 202055715 /nfs/dbraw/zinc/05/57/15/202055715.db2.gz FQUXLGLVJCAWNS-GOTSBHOMSA-N 1 0 337.507 4.718 50 0 EJAARO CCC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868947 202055839 /nfs/dbraw/zinc/05/58/39/202055839.db2.gz LXOUQWUIIDDGAH-YADHBBJMSA-N 1 0 341.470 4.693 50 0 EJAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCCc2ccccc21 ZINC000026927722 202150504 /nfs/dbraw/zinc/15/05/04/202150504.db2.gz KXCSIKKGHVBVSG-IBGZPJMESA-N 1 0 342.870 4.678 50 0 EJAARO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)c1 ZINC000036348381 213086580 /nfs/dbraw/zinc/08/65/80/213086580.db2.gz SYIBOSCFYZETPX-JOCHJYFZSA-N 1 0 334.438 4.931 50 0 EJAARO COc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1cccc(C)c1 ZINC000036347723 213086059 /nfs/dbraw/zinc/08/60/59/213086059.db2.gz XAYDFAQQSYEISD-HSZRJFAPSA-N 1 0 346.474 4.800 50 0 EJAARO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(C)cc1 ZINC000036347249 213085461 /nfs/dbraw/zinc/08/54/61/213085461.db2.gz HJYSYLDJMUEIGQ-QHCPKHFHSA-N 1 0 346.474 4.800 50 0 EJAARO Cc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1cccc(F)c1 ZINC000036348308 213085369 /nfs/dbraw/zinc/08/53/69/213085369.db2.gz FFAXIXFRRMLXMB-QFIPXVFZSA-N 1 0 334.438 4.931 50 0 EJAARO CC(C)CC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@H]1C ZINC000036167306 213074556 /nfs/dbraw/zinc/07/45/56/213074556.db2.gz BZJSNQIIXJXKDL-FIYPYCPBSA-N 1 0 328.500 4.601 50 0 EJAARO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036104423 213068421 /nfs/dbraw/zinc/06/84/21/213068421.db2.gz PBTGGUPHSKWXQE-XMMPIXPASA-N 1 0 345.486 4.601 50 0 EJAARO C[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000000406582 209571127 /nfs/dbraw/zinc/57/11/27/209571127.db2.gz FOINBVXLWLHZNX-MJGOQNOKSA-N 1 0 344.458 4.506 50 0 EJAARO Cc1cccc(C)c1NC(=S)N(C(C)C)C1CC[NH+](C(C)C)CC1 ZINC000000261491 209508469 /nfs/dbraw/zinc/50/84/69/209508469.db2.gz LDHBBUAJCBNEBW-UHFFFAOYSA-N 1 0 347.572 4.583 50 0 EJAARO O=c1c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)coc2ccc(Cl)cc21 ZINC000023282211 212365790 /nfs/dbraw/zinc/36/57/90/212365790.db2.gz UGFOCSQYKWFHRV-DYVFJYSZSA-N 1 0 331.843 4.601 50 0 EJAARO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)c1ccco1 ZINC000022787428 212324977 /nfs/dbraw/zinc/32/49/77/212324977.db2.gz HIFWUDINYJNRML-KRWDZBQOSA-N 1 0 344.842 4.586 50 0 EJAARO C[C@H](CC[N@@H+]1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1)c1ccccc1 ZINC000022587904 212308619 /nfs/dbraw/zinc/30/86/19/212308619.db2.gz GPUZEMUACDCDIM-PTUXOGIPSA-N 1 0 340.555 4.909 50 0 EJAARO Fc1cccc(Cl)c1CSc1ccccc1C1=[NH+]CCCN1 ZINC000000139184 201440139 /nfs/dbraw/zinc/44/01/39/201440139.db2.gz LTKNAMJHFJKCLP-UHFFFAOYSA-N 1 0 334.847 4.511 50 0 EJAARO Clc1c2ccccc2[nH]c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000216000098 241155813 /nfs/dbraw/zinc/15/58/13/241155813.db2.gz SEAGNAKWQZTSNJ-UHFFFAOYSA-N 1 0 325.843 4.596 50 0 EJAARO CCc1noc(CC)c1C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000225510086 241905288 /nfs/dbraw/zinc/90/52/88/241905288.db2.gz YEYLAVBCHOEMMC-IBGZPJMESA-N 1 0 337.467 4.756 50 0 EJAARO Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)s1 ZINC000225714647 242001217 /nfs/dbraw/zinc/00/12/17/242001217.db2.gz XRWMSIGEGSBDFK-KPXOXKRLSA-N 1 0 326.918 4.757 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000002514518 201534319 /nfs/dbraw/zinc/53/43/19/201534319.db2.gz JEDNNHSXQSWDJB-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3C)c(C)o2)c(C)c1C ZINC000020997581 212196681 /nfs/dbraw/zinc/19/66/81/212196681.db2.gz JOIIMOAUGRADGC-ZDUSSCGKSA-N 1 0 328.456 4.650 50 0 EJAARO CC(C)(C)c1cn2c3ccccc3nc2n1CC[NH2+]C1CCCCC1 ZINC000004855359 201623492 /nfs/dbraw/zinc/62/34/92/201623492.db2.gz CTBRYTHTGPPXSH-UHFFFAOYSA-N 1 0 338.499 4.509 50 0 EJAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)cc1O ZINC000021021041 212200168 /nfs/dbraw/zinc/20/01/68/212200168.db2.gz GZBFVTXYOMABGN-JTQLQIEISA-N 1 0 326.223 4.558 50 0 EJAARO CCC[C@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868905 212180531 /nfs/dbraw/zinc/18/05/31/212180531.db2.gz ZPGXQPDUMYGAJT-GOTSBHOMSA-N 1 0 337.507 4.862 50 0 EJAARO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1ccccc1-c1ccco1 ZINC000072129201 203167099 /nfs/dbraw/zinc/16/70/99/203167099.db2.gz YPLUOMZWURXRLH-UHFFFAOYSA-N 1 0 345.402 4.629 50 0 EJAARO C[C@H]1C[NH+](CCCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 ZINC000020167199 212108330 /nfs/dbraw/zinc/10/83/30/212108330.db2.gz WCIOXRVBDMJIRY-HOTGVXAUSA-N 1 0 347.886 4.761 50 0 EJAARO C[C@@H]1C[NH+](CCCCOc2ccc(Cl)c3ccccc23)C[C@@H](C)O1 ZINC000020167195 212108736 /nfs/dbraw/zinc/10/87/36/212108736.db2.gz WCIOXRVBDMJIRY-HZPDHXFCSA-N 1 0 347.886 4.761 50 0 EJAARO Cc1cc(Cl)cc(Cl)c1OCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167455 212108564 /nfs/dbraw/zinc/10/85/64/212108564.db2.gz IHHCNZDGHQJZAX-KBPBESRZSA-N 1 0 346.298 4.570 50 0 EJAARO c1ccc(CCC[NH+]2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019852790 212076345 /nfs/dbraw/zinc/07/63/45/212076345.db2.gz POWWWHRWIDBTAX-UHFFFAOYSA-N 1 0 344.502 4.590 50 0 EJAARO Cc1cc2c(cc1C)C(=CC(=[NH2+])C(Cl)(Cl)Cl)NC(C)(C)C2 ZINC000016956903 211943718 /nfs/dbraw/zinc/94/37/18/211943718.db2.gz LTWGHXGCZSBBMI-AUWJEWJLSA-N 1 0 345.701 4.640 50 0 EJAARO C[NH+](C)CCO[C@H]1c2ccccc2CCc2ccc3ccccc3c21 ZINC000000971591 205572781 /nfs/dbraw/zinc/57/27/81/205572781.db2.gz BWDSMWZBQJYVLD-QHCPKHFHSA-N 1 0 331.459 4.606 50 0 EJAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012307992 211341280 /nfs/dbraw/zinc/34/12/80/211341280.db2.gz ZERXAFGEKLQTFD-QFIPXVFZSA-N 1 0 336.479 4.583 50 0 EJAARO C[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000012285032 211333761 /nfs/dbraw/zinc/33/37/61/211333761.db2.gz SFZFJLNLICHCTF-FTIBCMOBSA-N 1 0 348.490 4.756 50 0 EJAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000012076222 211287077 /nfs/dbraw/zinc/28/70/77/211287077.db2.gz MMWDSHLFUDFQGF-QHCPKHFHSA-N 1 0 349.474 4.640 50 0 EJAARO Cc1ccsc1C[NH+]1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000011912014 211268458 /nfs/dbraw/zinc/26/84/58/211268458.db2.gz KICPEHIUEFRVDT-UHFFFAOYSA-N 1 0 337.492 4.826 50 0 EJAARO O=C(Nc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010372118 211168507 /nfs/dbraw/zinc/16/85/07/211168507.db2.gz AHCRPEWAWQKDGJ-UHFFFAOYSA-N 1 0 328.843 4.578 50 0 EJAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn21 ZINC000095350755 218284815 /nfs/dbraw/zinc/28/48/15/218284815.db2.gz XMNOPTVIEGMIKN-UZLBHIALSA-N 1 0 334.467 4.702 50 0 EJAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000095395339 218327005 /nfs/dbraw/zinc/32/70/05/218327005.db2.gz DHJYVFRNCIKJCL-SFHVURJKSA-N 1 0 345.531 4.634 50 0 EJAARO COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)c3cnn(C(C)C)c3)oc21 ZINC000095419646 218359111 /nfs/dbraw/zinc/35/91/11/218359111.db2.gz UZSGHLDVSSPDNI-UONOGXRCSA-N 1 0 327.428 4.631 50 0 EJAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 ZINC000095419576 218359608 /nfs/dbraw/zinc/35/96/08/218359608.db2.gz FOVCMWAWYAXQCN-OPAMFIHVSA-N 1 0 337.463 4.583 50 0 EJAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccncc1 ZINC000095423135 218364919 /nfs/dbraw/zinc/36/49/19/218364919.db2.gz ZGNREPSBZXWIQI-CMPLNLGQSA-N 1 0 325.275 4.708 50 0 EJAARO C[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744154 210698332 /nfs/dbraw/zinc/69/83/32/210698332.db2.gz KHTUVFPJQCSGIT-NHCUHLMSSA-N 1 0 343.898 4.817 50 0 EJAARO CC[C@@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000005069822 210383789 /nfs/dbraw/zinc/38/37/89/210383789.db2.gz CMUDICHQEPXIDK-PELKAZGASA-N 1 0 346.283 4.715 50 0 EJAARO COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OCc1ccccc1 ZINC000004987716 210350736 /nfs/dbraw/zinc/35/07/36/210350736.db2.gz RVJRKJHWOFRELA-ROUUACIJSA-N 1 0 339.479 4.752 50 0 EJAARO COc1cc(C)c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1C ZINC000004985525 210349143 /nfs/dbraw/zinc/34/91/43/210349143.db2.gz XRAMAZMWJQILMZ-UHFFFAOYSA-N 1 0 325.427 4.740 50 0 EJAARO Cc1c2cc(-c3ccc([C@H](C)[NH+]4CCCC4)cc3)ccc2[nH]c1CO ZINC000426395431 257970332 /nfs/dbraw/zinc/97/03/32/257970332.db2.gz UIWATGMSQYAJAO-INIZCTEOSA-N 1 0 334.463 4.792 50 0 EJAARO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000057681657 257973834 /nfs/dbraw/zinc/97/38/34/257973834.db2.gz CVMDWBSIEASELO-NSHDSACASA-N 1 0 340.250 4.861 50 0 EJAARO CCCC[NH+](CCCC)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000334163574 258015855 /nfs/dbraw/zinc/01/58/55/258015855.db2.gz XOUNMZYPEVEKKB-VKAVYKQESA-N 1 0 346.496 4.583 50 0 EJAARO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020444400 135720592 /nfs/dbraw/zinc/72/05/92/135720592.db2.gz YFARKOXLNOAESC-AWEZNQCLSA-N 1 0 335.278 4.877 50 0 EJAARO CCC(=O)c1ccc2c(c1)N(C[C@H](C)[NH+](C)C)c1ccccc1S2 ZINC000000000669 521251451 /nfs/dbraw/zinc/25/14/51/521251451.db2.gz UVOIBTBFPOZKGP-AWEZNQCLSA-N 1 0 340.492 4.832 50 0 world EJAARO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)o2)cc1 ZINC000230145362 536495291 /nfs/dbraw/zinc/49/52/91/536495291.db2.gz HULCOLKOTPWQNK-MAUKXSAKSA-N 1 0 326.440 4.505 50 0 EJAARO CC(C)(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770550 563924829 /nfs/dbraw/zinc/92/48/29/563924829.db2.gz WTZRUXPOGWNLML-ZDUSSCGKSA-N 1 0 340.305 4.515 50 0 EJAARO Clc1cc(Br)ccc1OCCCC[NH+]1CCCCC1 ZINC000003002062 563469124 /nfs/dbraw/zinc/46/91/24/563469124.db2.gz CQCLNRWZCUFRKR-UHFFFAOYSA-N 1 0 346.696 4.747 50 0 EJAARO CCC1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000000277209 563271045 /nfs/dbraw/zinc/27/10/45/563271045.db2.gz YHJUOURWLCPAQG-UHFFFAOYSA-N 1 0 340.433 4.796 50 0 EJAARO COc1ccc(SC[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000000346632 563287694 /nfs/dbraw/zinc/28/76/94/563287694.db2.gz MLARQDLTIVCLRN-OXQOHEQNSA-N 1 0 345.483 4.662 50 0 EJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1cccs1 ZINC000000360052 563292932 /nfs/dbraw/zinc/29/29/32/563292932.db2.gz JFMCULHWJFTIGG-UHFFFAOYSA-N 1 0 345.489 4.687 50 0 EJAARO Clc1ccccc1COc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC000000360387 563293315 /nfs/dbraw/zinc/29/33/15/563293315.db2.gz CGQHQBSDWVWMJQ-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCOc1ccccc1 ZINC000001845144 563414170 /nfs/dbraw/zinc/41/41/70/563414170.db2.gz IYAFFIUNILMTSL-LJQANCHMSA-N 1 0 340.854 4.867 50 0 EJAARO CSc1ccccc1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514502 563435176 /nfs/dbraw/zinc/43/51/76/563435176.db2.gz UMSRVJRBPYWLBT-UHFFFAOYSA-N 1 0 325.477 4.625 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002514523 563435227 /nfs/dbraw/zinc/43/52/27/563435227.db2.gz CXFKCMCRXLOMPN-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO Clc1cc(Br)ccc1OCCC[NH+]1CCCCCC1 ZINC000002839700 563454326 /nfs/dbraw/zinc/45/43/26/563454326.db2.gz JVIGNNBEDWNENM-UHFFFAOYSA-N 1 0 346.696 4.747 50 0 EJAARO Cc1cc(Cl)c(OCCC[NH+]2CCCCC2)c(Br)c1 ZINC000003000840 563469208 /nfs/dbraw/zinc/46/92/08/563469208.db2.gz AGJXMOUNRZOAQL-UHFFFAOYSA-N 1 0 346.696 4.666 50 0 EJAARO CCC[NH+](CCC)C[C@@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 ZINC000003068319 563471124 /nfs/dbraw/zinc/47/11/24/563471124.db2.gz YTAMEPAICSZHEE-VXKWHMMOSA-N 1 0 341.495 4.634 50 0 EJAARO COc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c(C)c1C ZINC000004985751 563517410 /nfs/dbraw/zinc/51/74/10/563517410.db2.gz MRRLUCMRORGUED-UHFFFAOYSA-N 1 0 325.427 4.740 50 0 EJAARO Cc1nnc([C@@H](C)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)o1 ZINC000071902709 563555917 /nfs/dbraw/zinc/55/59/17/563555917.db2.gz GCUOZFAYSHLNHA-DGCLKSJQSA-N 1 0 342.468 4.530 50 0 EJAARO C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000006267465 563563432 /nfs/dbraw/zinc/56/34/32/563563432.db2.gz BKUWJLSGSGRXBD-NTKDMRAZSA-N 1 0 345.486 4.920 50 0 EJAARO Cc1cccc2c(=O)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)[nH]c12 ZINC000008691845 563635669 /nfs/dbraw/zinc/63/56/69/563635669.db2.gz KLCRMNQOYHEXNH-AOMKIAJQSA-N 1 0 338.495 4.958 50 0 EJAARO Cc1ccsc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000097465597 563640018 /nfs/dbraw/zinc/64/00/18/563640018.db2.gz OMXYXSBGZVUOEU-UHFFFAOYSA-N 1 0 328.412 4.673 50 0 EJAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000011720124 563650745 /nfs/dbraw/zinc/65/07/45/563650745.db2.gz XZEUQGPHDOVSQY-IBGZPJMESA-N 1 0 349.927 4.609 50 0 EJAARO COc1cccc(CN(C)Cc2nc(-c3cccc(C)c3)oc2C)c1 ZINC000011842487 563651424 /nfs/dbraw/zinc/65/14/24/563651424.db2.gz IAFXGKSFDHGODW-UHFFFAOYSA-N 1 0 336.435 4.599 50 0 EJAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000012342829 563658566 /nfs/dbraw/zinc/65/85/66/563658566.db2.gz HYTXLDGELUKQOT-SAPNQHFASA-N 1 0 326.871 4.566 50 0 EJAARO CSc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000012595909 563664716 /nfs/dbraw/zinc/66/47/16/563664716.db2.gz WMZBWIORRJQFOR-HNNXBMFYSA-N 1 0 337.492 4.753 50 0 EJAARO Oc1ccc([C@@H]2[NH2+]C[C@@H](c3cccs3)c3c4ccccc4[nH]c32)cc1 ZINC000032666107 563678220 /nfs/dbraw/zinc/67/82/20/563678220.db2.gz VRGSDOREZIQCQX-JXFKEZNVSA-N 1 0 346.455 4.760 50 0 EJAARO Fc1ccc(-n2cc(C3CC[NH2+]CC3)c3cc(Cl)ccc32)cc1 ZINC000013452441 563698449 /nfs/dbraw/zinc/69/84/49/563698449.db2.gz YCXCLZSLZGBCTA-UHFFFAOYSA-N 1 0 328.818 4.890 50 0 EJAARO FC(F)Sc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000013496547 563699763 /nfs/dbraw/zinc/69/97/63/563699763.db2.gz OBHBFVSATIULAJ-UHFFFAOYSA-N 1 0 343.422 4.693 50 0 EJAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccccc3)c2)cc1 ZINC000014137403 563744325 /nfs/dbraw/zinc/74/43/25/563744325.db2.gz PHNONXOZZLZRTI-UHFFFAOYSA-N 1 0 330.431 4.537 50 0 EJAARO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@@H+](C(C)C)C2 ZINC000014994341 563771099 /nfs/dbraw/zinc/77/10/99/563771099.db2.gz PFPYBDPLFDHUAC-UHFFFAOYSA-N 1 0 343.492 4.687 50 0 EJAARO CCOC(=O)c1oc2ccc(Cl)cc2c1C[NH2+]C1CCCCC1 ZINC000015017502 563772991 /nfs/dbraw/zinc/77/29/91/563772991.db2.gz QRTKOYYZLTVKGG-UHFFFAOYSA-N 1 0 335.831 4.685 50 0 EJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000015866931 563798322 /nfs/dbraw/zinc/79/83/22/563798322.db2.gz NFEPXTYBSCDGCW-HNNXBMFYSA-N 1 0 338.373 4.901 50 0 EJAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000005632385 563862878 /nfs/dbraw/zinc/86/28/78/563862878.db2.gz REWPXUMDEXVILI-MRXNPFEDSA-N 1 0 335.532 4.528 50 0 EJAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000023281959 563866516 /nfs/dbraw/zinc/86/65/16/563866516.db2.gz WMYKTASWDBAVTK-BMRADRMJSA-N 1 0 326.871 4.566 50 0 EJAARO C[N@H+](Cc1ccccc1N1CCCCC1)Cc1cccc2cccnc21 ZINC000025182882 563881964 /nfs/dbraw/zinc/88/19/64/563881964.db2.gz JOZRUYQRXHBJRN-UHFFFAOYSA-N 1 0 345.490 4.857 50 0 EJAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000026927720 563894126 /nfs/dbraw/zinc/89/41/26/563894126.db2.gz KXCSIKKGHVBVSG-LJQANCHMSA-N 1 0 342.870 4.678 50 0 EJAARO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000002899469 563906273 /nfs/dbraw/zinc/90/62/73/563906273.db2.gz SZJOBSMKAIURNV-QGZVFWFLSA-N 1 0 346.268 4.625 50 0 EJAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000029484428 563906761 /nfs/dbraw/zinc/90/67/61/563906761.db2.gz MAWRXXWLIFNTLF-SFHVURJKSA-N 1 0 342.870 4.515 50 0 EJAARO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCc2ccccc21 ZINC000029483145 563906799 /nfs/dbraw/zinc/90/67/99/563906799.db2.gz GSAJXLASTZAOOU-INIZCTEOSA-N 1 0 349.261 4.551 50 0 EJAARO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029483163 563906827 /nfs/dbraw/zinc/90/68/27/563906827.db2.gz QSELXJPKDKYPSU-HXUWFJFHSA-N 1 0 336.479 4.676 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCCc2ccccc21 ZINC000030946829 563911847 /nfs/dbraw/zinc/91/18/47/563911847.db2.gz IQOQRZNQJAJAOZ-UHFFFAOYSA-N 1 0 348.490 4.656 50 0 EJAARO Cc1cc(C)c2oc(=O)cc(C[N@H+](C)Cc3ccc(Cl)cc3)c2c1 ZINC000033018752 563914735 /nfs/dbraw/zinc/91/47/35/563914735.db2.gz RJAPRSGXCUTULS-UHFFFAOYSA-N 1 0 341.838 4.695 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)cc1O ZINC000033087154 563914982 /nfs/dbraw/zinc/91/49/82/563914982.db2.gz KMNHWPXZZJNRGM-GOSISDBHSA-N 1 0 329.415 4.657 50 0 EJAARO CN1CCC([N@H+](C)Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000000241864 563917134 /nfs/dbraw/zinc/91/71/34/563917134.db2.gz OCDFCVHQVNEMMP-UHFFFAOYSA-N 1 0 344.886 4.658 50 0 EJAARO CC1(C)C[C@H](C[NH2+]CC[C@H](c2ccco2)c2ccccc2)CCO1 ZINC000002139700 563917942 /nfs/dbraw/zinc/91/79/42/563917942.db2.gz YLIFUTNQCPIQQY-MJGOQNOKSA-N 1 0 327.468 4.596 50 0 biogenic EJAARO CCC[N@@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)CC1CC1 ZINC000023281797 563918141 /nfs/dbraw/zinc/91/81/41/563918141.db2.gz WMZHCLXNIFUXPW-UHFFFAOYSA-N 1 0 339.479 4.896 50 0 EJAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000022077673 563918401 /nfs/dbraw/zinc/91/84/01/563918401.db2.gz ADEVJISDHAEHLY-HNNXBMFYSA-N 1 0 332.875 4.557 50 0 EJAARO O=c1c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)coc2ccc(Cl)cc21 ZINC000230136201 563919702 /nfs/dbraw/zinc/91/97/02/563919702.db2.gz UGFOCSQYKWFHRV-CXAGYDPISA-N 1 0 331.843 4.601 50 0 EJAARO Clc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000253489408 563919848 /nfs/dbraw/zinc/91/98/48/563919848.db2.gz FDDGVKWNNYKGKF-WOJBJXKFSA-N 1 0 332.919 4.569 50 0 EJAARO Clc1ccc(OCCC2CC[NH2+]CC2)c(Cc2ccccc2)c1 ZINC000042773725 563924945 /nfs/dbraw/zinc/92/49/45/563924945.db2.gz GZCPXAREKCFTDI-UHFFFAOYSA-N 1 0 329.871 4.699 50 0 EJAARO CCC(C)(C)c1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000042775270 563925057 /nfs/dbraw/zinc/92/50/57/563925057.db2.gz DPPFIFHWGGASMO-UHFFFAOYSA-N 1 0 340.305 4.515 50 0 EJAARO Fc1ccc2c(c1)[C@@H]([NH+]1CCC(c3nc4ccccc4o3)CC1)CC2 ZINC000072313263 563929439 /nfs/dbraw/zinc/92/94/39/563929439.db2.gz MPPBSVSCJCLITN-IBGZPJMESA-N 1 0 336.410 4.834 50 0 EJAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000058216852 563940123 /nfs/dbraw/zinc/94/01/23/563940123.db2.gz VGQPXYMLBBCQIK-LBPRGKRZSA-N 1 0 336.357 4.515 50 0 EJAARO C[C@H](c1cccc(-c2c(-c3ccccc3)ncn2CCF)c1)[NH+](C)C ZINC000065503687 563961734 /nfs/dbraw/zinc/96/17/34/563961734.db2.gz MENNNFBUJYPOST-MRXNPFEDSA-N 1 0 337.442 4.809 50 0 EJAARO COc1cccc(-c2c[nH+]c(NCc3ccc(C(C)C)cc3)n2C)c1 ZINC000004678372 563963743 /nfs/dbraw/zinc/96/37/43/563963743.db2.gz XHJYJJQVVBINEL-UHFFFAOYSA-N 1 0 335.451 4.831 50 0 EJAARO COc1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)c2ccccc12 ZINC000004678315 563963810 /nfs/dbraw/zinc/96/38/10/563963810.db2.gz DYYFRXXHXZGNMW-UHFFFAOYSA-N 1 0 343.430 4.861 50 0 EJAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(OC)c(OC)c3)c2c1 ZINC000000071869 563974415 /nfs/dbraw/zinc/97/44/15/563974415.db2.gz VDUGHUHRIQDYQK-UHFFFAOYSA-N 1 0 338.407 4.703 50 0 EJAARO Cc1noc(C)c1C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095517689 563977293 /nfs/dbraw/zinc/97/72/93/563977293.db2.gz QMVGTQHMDIBMNJ-UHFFFAOYSA-N 1 0 346.474 4.874 50 0 EJAARO c1ccc2c(c1)cccc2Sc1ccccc1CN1CCOCC1 ZINC000096235352 563980456 /nfs/dbraw/zinc/98/04/56/563980456.db2.gz CBNAPSZJGHRRHR-UHFFFAOYSA-N 1 0 335.472 4.823 50 0 EJAARO CC(C)c1cccc(C(C)C)c1OCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014083927 563983159 /nfs/dbraw/zinc/98/31/59/563983159.db2.gz BQORZYXEEBAHHD-HDICACEKSA-N 1 0 333.516 4.812 50 0 EJAARO CCOC(=O)c1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000000429783 563999101 /nfs/dbraw/zinc/99/91/01/563999101.db2.gz QSHFWHLHZGLAHR-UHFFFAOYSA-N 1 0 332.403 4.644 50 0 EJAARO COc1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1 ZINC000005478144 564004508 /nfs/dbraw/zinc/00/45/08/564004508.db2.gz LNTUBGPCAUYINL-NRFANRHFSA-N 1 0 339.410 4.739 50 0 EJAARO C[N@@H+]1C[C@@H](C(=O)c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005525663 564004958 /nfs/dbraw/zinc/00/49/58/564004958.db2.gz TZYCOGSJLNLMCK-HZPDHXFCSA-N 1 0 334.246 4.522 50 0 EJAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2Sc1ccc(Cl)cc1 ZINC000005525564 564004992 /nfs/dbraw/zinc/00/49/92/564004992.db2.gz MXEIBCYOSABGBK-MJGOQNOKSA-N 1 0 344.911 4.963 50 0 EJAARO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c(C)n1 ZINC000155770240 564008322 /nfs/dbraw/zinc/00/83/22/564008322.db2.gz PXFNPVVCCPEEIL-GJZGRUSLSA-N 1 0 332.451 4.567 50 0 EJAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000004986616 564013904 /nfs/dbraw/zinc/01/39/04/564013904.db2.gz NBJBXFLLQSQLPV-AWEZNQCLSA-N 1 0 337.385 4.825 50 0 EJAARO O[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000000500989 564018972 /nfs/dbraw/zinc/01/89/72/564018972.db2.gz JFAWEJBCVBGKNT-VQTJNVASSA-N 1 0 329.871 4.991 50 0 EJAARO CCS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000108139563 564027777 /nfs/dbraw/zinc/02/77/77/564027777.db2.gz IAJBWDLSSIBMSE-ADEWGFFLSA-N 1 0 333.328 4.900 50 0 EJAARO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)co2)cc1 ZINC000048339854 564031216 /nfs/dbraw/zinc/03/12/16/564031216.db2.gz CALUVDRRVGCHQW-NRFANRHFSA-N 1 0 332.447 4.857 50 0 EJAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)cc1 ZINC000048714155 564032092 /nfs/dbraw/zinc/03/20/92/564032092.db2.gz VMTHNLJVFZDJML-UHFFFAOYSA-N 1 0 340.467 4.502 50 0 EJAARO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cccc(Br)c2)cn1 ZINC000095962851 564033835 /nfs/dbraw/zinc/03/38/35/564033835.db2.gz WEWNFUXQMYODCN-CHWSQXEVSA-N 1 0 336.277 4.638 50 0 EJAARO COc1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)cc1OC ZINC000007782552 564034504 /nfs/dbraw/zinc/03/45/04/564034504.db2.gz FPAWNJOJXRSCGH-UHFFFAOYSA-N 1 0 331.415 4.563 50 0 EJAARO CCc1noc(CC)c1C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000225510054 564047404 /nfs/dbraw/zinc/04/74/04/564047404.db2.gz YEYLAVBCHOEMMC-LJQANCHMSA-N 1 0 337.467 4.756 50 0 EJAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000028926862 564047628 /nfs/dbraw/zinc/04/76/28/564047628.db2.gz XPBSRAAPULSJFI-GFCCVEGCSA-N 1 0 336.357 4.515 50 0 EJAARO C[C@@H]1[C@H](O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000003902377 564057877 /nfs/dbraw/zinc/05/78/77/564057877.db2.gz BPCLELONGIWKCR-WAFHWIMBSA-N 1 0 336.262 4.766 50 0 EJAARO CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@@H](C)C1 ZINC000004026387 564061170 /nfs/dbraw/zinc/06/11/70/564061170.db2.gz XIHJFMFAIYGPCL-JKLQHZFJSA-N 1 0 347.543 4.933 50 0 biogenic EJAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012676807 564062573 /nfs/dbraw/zinc/06/25/73/564062573.db2.gz YOIFKBVZIUEIIB-KZULUSFZSA-N 1 0 346.833 4.547 50 0 EJAARO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc2ccccc2c1 ZINC000025679476 564062743 /nfs/dbraw/zinc/06/27/43/564062743.db2.gz HWQZPKBORXEFEY-UHFFFAOYSA-N 1 0 327.431 4.658 50 0 EJAARO COc1ccc(C[NH2+]Cc2ccc(-c3cccs3)cc2F)cc1F ZINC000083953175 564065165 /nfs/dbraw/zinc/06/51/65/564065165.db2.gz UXNFUZISMBANHP-UHFFFAOYSA-N 1 0 345.414 4.992 50 0 EJAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000012754286 564067159 /nfs/dbraw/zinc/06/71/59/564067159.db2.gz LSMFEVRVLVSGJC-JKSUJKDBSA-N 1 0 348.446 4.526 50 0 EJAARO CC(C)c1ccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)cc1 ZINC000084625124 564069160 /nfs/dbraw/zinc/06/91/60/564069160.db2.gz BWASUOOUMSTCTA-UHFFFAOYSA-N 1 0 337.492 4.661 50 0 EJAARO c1[nH]c2ccccc2c1C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000012777845 564069679 /nfs/dbraw/zinc/06/96/79/564069679.db2.gz GIULABYJFRWJRD-UHFFFAOYSA-N 1 0 331.419 4.689 50 0 EJAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000012869689 564075984 /nfs/dbraw/zinc/07/59/84/564075984.db2.gz LWWFAARRZYXROW-CABCVRRESA-N 1 0 336.410 4.657 50 0 EJAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000015837427 564076523 /nfs/dbraw/zinc/07/65/23/564076523.db2.gz UXUURPNKPKQVAL-LJQANCHMSA-N 1 0 343.442 4.960 50 0 EJAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000001176787 564083083 /nfs/dbraw/zinc/08/30/83/564083083.db2.gz ATIWHAUCBKCFSB-JOCHJYFZSA-N 1 0 329.443 4.902 50 0 EJAARO C[C@H]([NH2+]CC(C)(C)c1ccccc1Br)c1nccs1 ZINC000090590774 564084814 /nfs/dbraw/zinc/08/48/14/564084814.db2.gz NDFQBNIOFKLGCM-NSHDSACASA-N 1 0 339.302 4.534 50 0 EJAARO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000244724590 564088572 /nfs/dbraw/zinc/08/85/72/564088572.db2.gz MWYKJAWYUDYBMH-FGZHOGPDSA-N 1 0 326.528 4.532 50 0 EJAARO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000244724591 564088587 /nfs/dbraw/zinc/08/85/87/564088587.db2.gz MWYKJAWYUDYBMH-VXKWHMMOSA-N 1 0 326.528 4.532 50 0 EJAARO COc1ccc2c(c1)c(C[NH+](C)C)c(CSc1ccccc1)n2C ZINC000006534017 564091648 /nfs/dbraw/zinc/09/16/48/564091648.db2.gz KDUPUSOTVXNETN-UHFFFAOYSA-N 1 0 340.492 4.541 50 0 EJAARO Cc1c([C@H](C)[NH2+][C@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 ZINC000089544956 564092795 /nfs/dbraw/zinc/09/27/95/564092795.db2.gz JPUFRYKDVHSEAH-KGLIPLIRSA-N 1 0 340.858 4.641 50 0 EJAARO Cc1ccc2c(C[NH2+][C@@H]3CCCc4ccccc43)cc(=O)oc2c1C ZINC000006788263 564097808 /nfs/dbraw/zinc/09/78/08/564097808.db2.gz JMQOLSOXOYNVQR-HXUWFJFHSA-N 1 0 333.431 4.577 50 0 EJAARO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000006841318 564099402 /nfs/dbraw/zinc/09/94/02/564099402.db2.gz FEQFRLZEPJCXTE-FUHWJXTLSA-N 1 0 338.495 4.968 50 0 EJAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000065154890 564102078 /nfs/dbraw/zinc/10/20/78/564102078.db2.gz IIXXABFJABUMRK-UHFFFAOYSA-N 1 0 343.833 4.571 50 0 EJAARO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000170601622 564109359 /nfs/dbraw/zinc/10/93/59/564109359.db2.gz ZTABQPHCXYVLSJ-LIRRHRJNSA-N 1 0 340.854 4.594 50 0 EJAARO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606860 564109585 /nfs/dbraw/zinc/10/95/85/564109585.db2.gz RDXJWDYYYVGSKU-KSFYIVLOSA-N 1 0 347.437 4.866 50 0 EJAARO O=C(Nc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013325208 564111545 /nfs/dbraw/zinc/11/15/45/564111545.db2.gz HNMMEZIIPKMOHR-UHFFFAOYSA-N 1 0 329.831 4.580 50 0 EJAARO c1[nH]c2ccccc2c1C1=CC[N@H+](CCCOc2ccccc2)CC1 ZINC000089845785 564114230 /nfs/dbraw/zinc/11/42/30/564114230.db2.gz LJQHFJMSLYVFQG-UHFFFAOYSA-N 1 0 332.447 4.726 50 0 EJAARO O=c1cc(C[NH+]2CCCCCC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000002121978 564118415 /nfs/dbraw/zinc/11/84/15/564118415.db2.gz IYFDPSFCUXUCPH-UHFFFAOYSA-N 1 0 349.430 4.542 50 0 biogenic EJAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C2CCCCC2)cc1Cl ZINC000000155481 564118806 /nfs/dbraw/zinc/11/88/06/564118806.db2.gz CCKJRHONEDLPNK-MRXNPFEDSA-N 1 0 339.907 4.516 50 0 EJAARO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000195540630 564123644 /nfs/dbraw/zinc/12/36/44/564123644.db2.gz JCBDULRIUOTXOK-RWAHWCJQSA-N 1 0 327.493 4.542 50 0 EJAARO Fc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccc(F)cc2)cc1 ZINC000002374465 564133886 /nfs/dbraw/zinc/13/38/86/564133886.db2.gz VTSIWKOGAUPEGJ-LJQANCHMSA-N 1 0 327.374 4.870 50 0 EJAARO CC[C@H](NC(=O)Nc1cccc(Oc2ccncc2)c1)c1ccncc1 ZINC000078937496 564137407 /nfs/dbraw/zinc/13/74/07/564137407.db2.gz XVKJOQFHWFKRMP-IBGZPJMESA-N 1 0 348.406 4.542 50 0 EJAARO c1ccc([C@@H](Cc2ccccn2)[NH2+]Cc2cccc3cccnc32)cc1 ZINC000390834443 564138932 /nfs/dbraw/zinc/13/89/32/564138932.db2.gz YWQCHSCMHQRJKR-JOCHJYFZSA-N 1 0 339.442 4.703 50 0 EJAARO CCn1nc(C)c(C[NH2+][C@H](c2ccccc2)C2CCCCC2)c1C ZINC000095462802 564140884 /nfs/dbraw/zinc/14/08/84/564140884.db2.gz BWSAAMQILRHRTR-OAQYLSRUSA-N 1 0 325.500 4.931 50 0 EJAARO Fc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000095941411 564142056 /nfs/dbraw/zinc/14/20/56/564142056.db2.gz WDOMUAALMGFFED-CVEARBPZSA-N 1 0 342.439 4.968 50 0 EJAARO FC(F)(F)c1ccccc1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000095956809 564142533 /nfs/dbraw/zinc/14/25/33/564142533.db2.gz AKEDUSAKKXWZJB-UHFFFAOYSA-N 1 0 348.412 4.986 50 0 EJAARO CC1(C)C[C@@H]([NH2+]CCc2cccc3cccnc32)c2ccccc2O1 ZINC000095967249 564143016 /nfs/dbraw/zinc/14/30/16/564143016.db2.gz QOVAVUUEDJBWFM-LJQANCHMSA-N 1 0 332.447 4.669 50 0 EJAARO CC(C)[N@H+](CCN1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000096026343 564144899 /nfs/dbraw/zinc/14/48/99/564144899.db2.gz RTXTYCCRQLZQNH-UHFFFAOYSA-N 1 0 336.523 4.972 50 0 EJAARO FC(F)(F)c1cccc(O[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000096027764 564145050 /nfs/dbraw/zinc/14/50/50/564145050.db2.gz QXBFSKMCWGOYSU-SFHVURJKSA-N 1 0 335.369 4.921 50 0 EJAARO C[NH+](C)[C@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002631274 564151451 /nfs/dbraw/zinc/15/14/51/564151451.db2.gz SZXDHSMXKRLDLO-QFIPXVFZSA-N 1 0 329.443 4.632 50 0 EJAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000057315514 564153583 /nfs/dbraw/zinc/15/35/83/564153583.db2.gz MEECJANBIBTQKO-HZPDHXFCSA-N 1 0 348.446 4.526 50 0 EJAARO CCc1ccc2c(C[N@H+]3CC=C(c4ccccc4)CC3)cc(=O)oc2c1 ZINC000057911483 564156582 /nfs/dbraw/zinc/15/65/82/564156582.db2.gz PRCKGPKGLNUWJI-UHFFFAOYSA-N 1 0 345.442 4.645 50 0 aggregator EJAARO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1cccc(F)c1 ZINC000003350227 564157541 /nfs/dbraw/zinc/15/75/41/564157541.db2.gz OHCCMVJVEZHNJA-CVEARBPZSA-N 1 0 342.458 4.798 50 0 EJAARO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000058160712 564157870 /nfs/dbraw/zinc/15/78/70/564157870.db2.gz XKLYXBCXPBHGGD-RYUDHWBXSA-N 1 0 337.250 4.671 50 0 EJAARO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000003491703 564158431 /nfs/dbraw/zinc/15/84/31/564158431.db2.gz FEQFRLZEPJCXTE-AEFFLSMTSA-N 1 0 338.495 4.968 50 0 EJAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1ccc(Cl)cc1)C1CC1 ZINC000032072503 564160575 /nfs/dbraw/zinc/16/05/75/564160575.db2.gz AEIBINHEKNGXPF-ICSRJNTNSA-N 1 0 335.919 4.945 50 0 EJAARO COc1cccc2cc(C[NH2+][C@@H]3CCOc4c(Cl)cccc43)oc21 ZINC000067248736 564165421 /nfs/dbraw/zinc/16/54/21/564165421.db2.gz GOVSSYVGXIIFOH-MRXNPFEDSA-N 1 0 343.810 4.708 50 0 EJAARO CC(C)CC[C@H](CC[NH2+]Cc1ccccn1)c1ccc2c(c1)OCO2 ZINC000008658311 564166239 /nfs/dbraw/zinc/16/62/39/564166239.db2.gz FBTLVNVALYBICY-QGZVFWFLSA-N 1 0 340.467 4.510 50 0 EJAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccccn1)c1ccc2c(c1)OCO2 ZINC000008658308 564166251 /nfs/dbraw/zinc/16/62/51/564166251.db2.gz FBTLVNVALYBICY-KRWDZBQOSA-N 1 0 340.467 4.510 50 0 EJAARO CCC[NH+](CCC)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717492 564166785 /nfs/dbraw/zinc/16/67/85/564166785.db2.gz HBTRKNGJSANYQE-UHFFFAOYSA-N 1 0 344.499 4.906 50 0 EJAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@@H+]1CCCC[C@H]1C ZINC000008717497 564166807 /nfs/dbraw/zinc/16/68/07/564166807.db2.gz IUGCVVCGSXFFNP-OAHLLOKOSA-N 1 0 342.483 4.658 50 0 EJAARO CCCC[NH2+][C@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 ZINC000009659356 564174405 /nfs/dbraw/zinc/17/44/05/564174405.db2.gz BAEHIFDGFKNAKZ-DYESRHJHSA-N 1 0 336.479 4.552 50 0 EJAARO C[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000073637285 564176361 /nfs/dbraw/zinc/17/63/61/564176361.db2.gz LADLBQFBOQAKTC-OAHLLOKOSA-N 1 0 342.487 4.921 50 0 EJAARO CC(C)C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccccn1 ZINC000055133902 214278156 /nfs/dbraw/zinc/27/81/56/214278156.db2.gz RJHSFFBHPAKFQP-IBGZPJMESA-N 1 0 328.456 4.574 50 0 EJAARO CCCCOc1ccccc1NC(=O)O[C@@H]1CCCC[C@H]1C[NH+](C)C ZINC000004566968 210222109 /nfs/dbraw/zinc/22/21/09/210222109.db2.gz YAVCUODFBOMBEB-FUHWJXTLSA-N 1 0 348.487 4.534 50 0 EJAARO C[C@H]1[C@H]([NH2+][C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCC[C@@H]1C ZINC000004546178 210219503 /nfs/dbraw/zinc/21/95/03/210219503.db2.gz SFZFJLNLICHCTF-DVRVPYBTSA-N 1 0 348.490 4.756 50 0 EJAARO CN1/C(=C/C(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C ZINC000100706804 219104876 /nfs/dbraw/zinc/10/48/76/219104876.db2.gz BKODZKLRAMRNNE-LDADJPATSA-N 1 0 340.854 4.586 50 0 EJAARO Cc1c2ccccc2oc1-c1c(-c2ccccc2)ncn1[C@H]1CC[NH2+]C1 ZINC000065505924 214938095 /nfs/dbraw/zinc/93/80/95/214938095.db2.gz JCUNGEVQEITLCW-KRWDZBQOSA-N 1 0 343.430 4.806 50 0 EJAARO Fc1cccc(F)c1-n1c(C[NH2+]Cc2ccccc2)csc1=S ZINC000004054524 210109379 /nfs/dbraw/zinc/10/93/79/210109379.db2.gz YLMFQVPLKRVBPU-UHFFFAOYSA-N 1 0 348.443 4.836 50 0 EJAARO Clc1ccc(-c2nc3ccccn3c2C[NH+]2CCCCC2)cc1 ZINC000004002877 210098910 /nfs/dbraw/zinc/09/89/10/210098910.db2.gz IRPLZCJSJQNZNK-UHFFFAOYSA-N 1 0 325.843 4.641 50 0 EJAARO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCCCCC2)cc1 ZINC000003354456 210016835 /nfs/dbraw/zinc/01/68/35/210016835.db2.gz HPZLTLBIDNOKFX-NRFANRHFSA-N 1 0 336.479 4.941 50 0 EJAARO CC(=O)Nc1sc2c(c1C[N@@H+](C)Cc1ccc(C)cc1)CCCC2 ZINC000003344788 210013239 /nfs/dbraw/zinc/01/32/39/210013239.db2.gz OJBGZIWMZFFPLH-UHFFFAOYSA-N 1 0 342.508 4.526 50 0 EJAARO CC(C)(C)c1cc(Br)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770450 213532746 /nfs/dbraw/zinc/53/27/46/213532746.db2.gz RGEOIXPRHQLIFV-AWEZNQCLSA-N 1 0 340.305 4.658 50 0 EJAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000104402052 219383041 /nfs/dbraw/zinc/38/30/41/219383041.db2.gz XLIYENZIUOKTLX-HKUYNNGSSA-N 1 0 325.500 4.591 50 0 EJAARO CC(C)N(C(=O)C[NH2+]C(C)(C)c1ccc(Cl)cc1)c1ccccc1 ZINC000069454884 215426065 /nfs/dbraw/zinc/42/60/65/215426065.db2.gz NUZYCHFUSARKIG-UHFFFAOYSA-N 1 0 344.886 4.606 50 0 EJAARO CCN(C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccccc1C ZINC000040155741 213274530 /nfs/dbraw/zinc/27/45/30/213274530.db2.gz DBBUSWYGLFTDGJ-OAQYLSRUSA-N 1 0 338.495 4.725 50 0 EJAARO Clc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769775 213242292 /nfs/dbraw/zinc/24/22/92/213242292.db2.gz FDDGVKWNNYKGKF-UXHICEINSA-N 1 0 332.919 4.569 50 0 EJAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)o1 ZINC000020994161 202060317 /nfs/dbraw/zinc/06/03/17/202060317.db2.gz SXCUCEWFAPODFM-GOSISDBHSA-N 1 0 335.451 4.666 50 0 EJAARO O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000000500990 209636236 /nfs/dbraw/zinc/63/62/36/209636236.db2.gz JFAWEJBCVBGKNT-WOJBJXKFSA-N 1 0 329.871 4.991 50 0 EJAARO COc1ccc(Cn2c(-c3ccc(Cl)cc3)c[n+]3ccccc23)cc1 ZINC000000495020 209635309 /nfs/dbraw/zinc/63/53/09/209635309.db2.gz IVCMVLQWGVGYGX-UHFFFAOYSA-N 1 0 349.841 4.604 50 0 EJAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1Br ZINC000037105977 213132775 /nfs/dbraw/zinc/13/27/75/213132775.db2.gz DHYHUZYNEYWXPK-NEPJUHHUSA-N 1 0 338.245 4.771 50 0 EJAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2F)c1 ZINC000036347848 213086675 /nfs/dbraw/zinc/08/66/75/213086675.db2.gz FWONTTWTTGBZJY-JOCHJYFZSA-N 1 0 334.438 4.931 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(C)c2)cc1O ZINC000033087146 202249946 /nfs/dbraw/zinc/24/99/46/202249946.db2.gz GCSYLBGRXRCXQY-LJQANCHMSA-N 1 0 325.452 4.827 50 0 EJAARO C[C@H]([NH2+]Cc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000071816968 215846287 /nfs/dbraw/zinc/84/62/87/215846287.db2.gz REYNKNUNNJSNCU-KRWDZBQOSA-N 1 0 345.442 4.976 50 0 EJAARO Oc1ccc(C[NH2+][C@H](c2cccs2)c2ccc3c(c2)CCC3)cc1 ZINC000032845176 212854699 /nfs/dbraw/zinc/85/46/99/212854699.db2.gz NELSEETYNOWOIK-NRFANRHFSA-N 1 0 335.472 4.822 50 0 EJAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2cccc3cccnc32)c1 ZINC000072150961 216038920 /nfs/dbraw/zinc/03/89/20/216038920.db2.gz XHCDZLPSBKKWAG-IBGZPJMESA-N 1 0 332.447 4.682 50 0 EJAARO COc1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3c3ccccn3)c(C)c2c1 ZINC000072154853 216044364 /nfs/dbraw/zinc/04/43/64/216044364.db2.gz YLOAEOYOZHBBRQ-NRFANRHFSA-N 1 0 335.451 4.607 50 0 EJAARO C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000029488670 212670420 /nfs/dbraw/zinc/67/04/20/212670420.db2.gz QKDKLXFPKREGNT-FQEVSTJZSA-N 1 0 336.479 4.542 50 0 EJAARO CCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000072314847 216148251 /nfs/dbraw/zinc/14/82/51/216148251.db2.gz UQQSCVHTFHOLHM-IBGZPJMESA-N 1 0 331.481 4.513 50 0 EJAARO COc1cccc([C@H]2CC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)c(C)c2)c1 ZINC000072409444 216201549 /nfs/dbraw/zinc/20/15/49/216201549.db2.gz IKJVEXWJHOFMAX-OAQYLSRUSA-N 1 0 347.462 4.649 50 0 EJAARO Cc1ccccc1Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)o1 ZINC000108382318 219854056 /nfs/dbraw/zinc/85/40/56/219854056.db2.gz HDQQIMLHXLPZFI-ZYSHUDEJSA-N 1 0 341.499 4.519 50 0 EJAARO Cc1cc(C)c2c(N)c(C3=[NH+]C(C)(C)Cc4ccccc43)sc2n1 ZINC000000100030 209419758 /nfs/dbraw/zinc/41/97/58/209419758.db2.gz JXHAPEJILTVXOT-UHFFFAOYSA-N 1 0 335.476 4.667 50 0 EJAARO FC(F)(F)c1cc(NCC[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000000068075 209398003 /nfs/dbraw/zinc/39/80/03/209398003.db2.gz UMLGDRGOZSHCMY-LBPRGKRZSA-N 1 0 340.311 4.668 50 0 EJAARO C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000000009158 201357637 /nfs/dbraw/zinc/35/76/37/201357637.db2.gz RBWNFHXBUDPAIO-UHFFFAOYSA-N 1 0 335.426 4.692 50 0 EJAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000023549910 212383046 /nfs/dbraw/zinc/38/30/46/212383046.db2.gz AZOXPIPWRDWNBA-QHCPKHFHSA-N 1 0 343.470 4.587 50 0 EJAARO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1Br ZINC000023624445 212386583 /nfs/dbraw/zinc/38/65/83/212386583.db2.gz BRUHRGSDOTWTMK-CYBMUJFWSA-N 1 0 341.252 4.848 50 0 EJAARO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000023478139 212378571 /nfs/dbraw/zinc/37/85/71/212378571.db2.gz PDRVYFIDBHSGLM-KRWDZBQOSA-N 1 0 345.552 4.774 50 0 EJAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000023231372 212361860 /nfs/dbraw/zinc/36/18/60/212361860.db2.gz RWMZTJPKYORNEA-INIZCTEOSA-N 1 0 331.891 4.641 50 0 EJAARO CN(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)c1cccs1 ZINC000022925117 212335679 /nfs/dbraw/zinc/33/56/79/212335679.db2.gz YLRYMFGLIASKLR-QGZVFWFLSA-N 1 0 344.455 4.540 50 0 EJAARO CCOc1cccc(C[NH+]2CCC(Cc3ccc(OC)cc3)CC2)c1 ZINC000022329571 212290995 /nfs/dbraw/zinc/29/09/95/212290995.db2.gz ADLSAOFVKLTXPL-UHFFFAOYSA-N 1 0 339.479 4.549 50 0 EJAARO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000021791655 212250788 /nfs/dbraw/zinc/25/07/88/212250788.db2.gz DLKZMTFJPGPGSG-IBGZPJMESA-N 1 0 339.389 4.692 50 0 EJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000021720884 212243877 /nfs/dbraw/zinc/24/38/77/212243877.db2.gz KIGUXUIOAJVVNQ-SFHVURJKSA-N 1 0 328.456 4.670 50 0 EJAARO Clc1cccc(Cl)c1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000020477316 212136133 /nfs/dbraw/zinc/13/61/33/212136133.db2.gz VKNSWCBHBWLFSV-UHFFFAOYSA-N 1 0 349.305 4.748 50 0 EJAARO C[NH2+]Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC000104406544 204107401 /nfs/dbraw/zinc/10/74/01/204107401.db2.gz ZPIZNXPPBACSAU-UHFFFAOYSA-N 1 0 344.611 4.753 50 0 EJAARO Cc1ccccc1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019229262 212007843 /nfs/dbraw/zinc/00/78/43/212007843.db2.gz HOALIXAEBHDZBJ-QGZVFWFLSA-N 1 0 337.492 4.826 50 0 EJAARO C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 ZINC000016247621 211892987 /nfs/dbraw/zinc/89/29/87/211892987.db2.gz XLYSZANINBJJJD-GASCZTMLSA-N 1 0 339.907 4.516 50 0 EJAARO CCC[NH+](CCC)Cc1c(C)[nH]c2cc(C(F)(F)F)ccc2c1=O ZINC000008717344 205858716 /nfs/dbraw/zinc/85/87/16/205858716.db2.gz RIPGCNBXMXRTRE-UHFFFAOYSA-N 1 0 340.389 4.890 50 0 EJAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](C4CCCC4)C3)ccc2c1 ZINC000012431160 211378408 /nfs/dbraw/zinc/37/84/08/211378408.db2.gz JNSVKSRNLAOUJI-LJQANCHMSA-N 1 0 337.463 4.686 50 0 EJAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn21 ZINC000095350754 218285043 /nfs/dbraw/zinc/28/50/43/218285043.db2.gz XMNOPTVIEGMIKN-JXFKEZNVSA-N 1 0 334.467 4.702 50 0 EJAARO C[C@H](C1CCN(c2ccc3cccc(Cl)c3n2)CC1)[NH+]1CCCC1 ZINC000095362013 218294710 /nfs/dbraw/zinc/29/47/10/218294710.db2.gz VZYGSOQPCDFUDV-OAHLLOKOSA-N 1 0 343.902 4.589 50 0 EJAARO CC(C)[C@H]1C[C@](CC[NH2+]Cc2ccco2)(Cc2ccccc2)CCO1 ZINC000009047508 211034438 /nfs/dbraw/zinc/03/44/38/211034438.db2.gz FTYLBMAHZDXPAM-YADHBBJMSA-N 1 0 341.495 4.823 50 0 EJAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 ZINC000095419577 218359424 /nfs/dbraw/zinc/35/94/24/218359424.db2.gz FOVCMWAWYAXQCN-AOMKIAJQSA-N 1 0 337.463 4.583 50 0 EJAARO CC[C@@H]([NH2+]Cc1ccc(NC(=O)NC(C)C)cc1)c1cccs1 ZINC000095420644 218362268 /nfs/dbraw/zinc/36/22/68/218362268.db2.gz BJRKZYCNUHYXPC-MRXNPFEDSA-N 1 0 331.485 4.519 50 0 EJAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)cc1NC(C)=O ZINC000095422540 218365079 /nfs/dbraw/zinc/36/50/79/218365079.db2.gz IUMXWCJVOKGQAQ-CVEARBPZSA-N 1 0 340.467 4.682 50 0 EJAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(C2CCCCC2)cc1 ZINC000011847307 207003001 /nfs/dbraw/zinc/00/30/01/207003001.db2.gz CHJINILHYQKWHZ-DBXWQHBBSA-N 1 0 345.527 4.737 50 0 EJAARO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000096477344 218854628 /nfs/dbraw/zinc/85/46/28/218854628.db2.gz MDLAOYIMGBHMSF-UONOGXRCSA-N 1 0 340.496 4.572 50 0 EJAARO COc1ccc(C[N@H+](C)Cc2cccc3ccccc32)c(OC)c1C ZINC000004985556 210350197 /nfs/dbraw/zinc/35/01/97/210350197.db2.gz KRJFIDDIAYZNLF-UHFFFAOYSA-N 1 0 335.447 4.797 50 0 EJAARO COc1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1Cl ZINC000004942944 210334856 /nfs/dbraw/zinc/33/48/56/210334856.db2.gz YCLUJBRENSBBJO-UHFFFAOYSA-N 1 0 333.840 4.960 50 0 EJAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccco3)cc2)cc1 ZINC000004869127 210308238 /nfs/dbraw/zinc/30/82/38/210308238.db2.gz KHEFKDJDDWWSJK-UHFFFAOYSA-N 1 0 327.811 4.802 50 0 EJAARO C[C@@H](c1ccccc1C(O)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000004833134 210292515 /nfs/dbraw/zinc/29/25/15/210292515.db2.gz IFQPCBJQWBPSDY-SFHVURJKSA-N 1 0 331.459 4.593 50 0 EJAARO CCc1ccc(CN2CCC([N@H+](CC)Cc3ccccc3)CC2)cc1 ZINC000004553796 258051021 /nfs/dbraw/zinc/05/10/21/258051021.db2.gz MAHCQHAMSYLWLJ-UHFFFAOYSA-N 1 0 336.523 4.736 50 0 EJAARO CCc1c(C[NH+]2CCN(c3cccc(C)c3C)CC2)csc1C ZINC000006797728 135676565 /nfs/dbraw/zinc/67/65/65/135676565.db2.gz MUXXNOOBECTQPY-UHFFFAOYSA-N 1 0 328.525 4.558 50 0 EJAARO C[C@@H](CC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccccc1 ZINC000000219001 563262226 /nfs/dbraw/zinc/26/22/26/563262226.db2.gz SVDYYWQMNYSZKC-KRWDZBQOSA-N 1 0 328.887 4.656 50 0 EJAARO CC1(C)C[C@H](C[NH2+]CC[C@@H](c2ccco2)c2ccc(F)cc2)CCO1 ZINC000001821198 563413792 /nfs/dbraw/zinc/41/37/92/563413792.db2.gz PVZQSKKTJZATRH-VQIMIIECSA-N 1 0 345.458 4.736 50 0 EJAARO Cc1nc2c3cc(Cl)ccc3n(CC[NH+]3CCCCC3)c2s1 ZINC000002365755 563430499 /nfs/dbraw/zinc/43/04/99/563430499.db2.gz HRLXLJKVPAVREE-UHFFFAOYSA-N 1 0 333.888 4.699 50 0 EJAARO CSc1ccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000002514503 563435203 /nfs/dbraw/zinc/43/52/03/563435203.db2.gz YXLWYKJKSWEDDS-UHFFFAOYSA-N 1 0 325.477 4.625 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000002514526 563435256 /nfs/dbraw/zinc/43/52/56/563435256.db2.gz LSZCQGVMRPYPKP-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO CCCCc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000002836655 563453988 /nfs/dbraw/zinc/45/39/88/563453988.db2.gz LTCJCFBTRNCBQH-UHFFFAOYSA-N 1 0 347.572 4.625 50 0 EJAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCC(C)C ZINC000002863730 563457635 /nfs/dbraw/zinc/45/76/35/563457635.db2.gz RYZWVKQXCBSJIL-KRWDZBQOSA-N 1 0 327.468 4.971 50 0 EJAARO Cc1ccc(OCCCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000002957033 563464600 /nfs/dbraw/zinc/46/46/00/563464600.db2.gz LCCTUHKKBTUVSS-UHFFFAOYSA-N 1 0 340.305 4.648 50 0 EJAARO FC(F)(F)c1cccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000004980801 563517155 /nfs/dbraw/zinc/51/71/55/563517155.db2.gz KFONMTOGIJOUDV-VMPITWQZSA-N 1 0 346.396 4.541 50 0 EJAARO CCc1ccc2c(c1)c1nc(C)sc1n2CC[NH+]1CCCCC1 ZINC000002231177 563546269 /nfs/dbraw/zinc/54/62/69/563546269.db2.gz BLLXPOFCSYKYLR-UHFFFAOYSA-N 1 0 327.497 4.608 50 0 EJAARO C[N@@H+]1CCC[C@H](O[C@@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000006638626 563575878 /nfs/dbraw/zinc/57/58/78/563575878.db2.gz KJDWUCZKWFAWFB-LAUBAEHRSA-N 1 0 339.504 4.883 50 0 EJAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+]CC(C)C)cc1 ZINC000014999431 563770876 /nfs/dbraw/zinc/77/08/76/563770876.db2.gz SQXHACUKYWNVBS-UHFFFAOYSA-N 1 0 334.463 4.964 50 0 EJAARO Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1Cl ZINC000017208333 563840623 /nfs/dbraw/zinc/84/06/23/563840623.db2.gz NZVLSSIWZHHVBR-UHFFFAOYSA-N 1 0 344.265 4.744 50 0 EJAARO C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)c1nnc(-c2ccccc2)o1 ZINC000025898274 563888973 /nfs/dbraw/zinc/88/89/73/563888973.db2.gz WZJWIVXSBHYXNS-KRWDZBQOSA-N 1 0 347.462 4.899 50 0 EJAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000029483115 563906793 /nfs/dbraw/zinc/90/67/93/563906793.db2.gz WZUJGLCWBQEIII-KRWDZBQOSA-N 1 0 349.261 4.551 50 0 EJAARO CC1(C)Cc2[nH+]c3ccccc3c(NCc3ccccc3)c2[C@@H](O)C1 ZINC000000190485 563917038 /nfs/dbraw/zinc/91/70/38/563917038.db2.gz SZXBXNVDYMXTKW-IBGZPJMESA-N 1 0 332.447 4.853 50 0 EJAARO COc1ccc(/C=C/C2=CC[N@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000000283421 563917250 /nfs/dbraw/zinc/91/72/50/563917250.db2.gz NBQRFXCCXHXRCS-ONEGZZNKSA-N 1 0 335.447 4.549 50 0 EJAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000022077765 563918426 /nfs/dbraw/zinc/91/84/26/563918426.db2.gz VYANVQBLQKPKDN-SFHVURJKSA-N 1 0 326.484 4.521 50 0 EJAARO COc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1OCc1ccccc1 ZINC000023282064 563919378 /nfs/dbraw/zinc/91/93/78/563919378.db2.gz VFFPPSBRWWWNFP-KRWDZBQOSA-N 1 0 325.452 4.506 50 0 EJAARO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000058296536 563942016 /nfs/dbraw/zinc/94/20/16/563942016.db2.gz XROXYMNMHRWABA-LJQANCHMSA-N 1 0 337.442 4.841 50 0 EJAARO COc1ccc(CC[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)cc1 ZINC000058345115 563943196 /nfs/dbraw/zinc/94/31/96/563943196.db2.gz WFEWJIFRUUCINQ-UHFFFAOYSA-N 1 0 334.463 4.599 50 0 EJAARO C[N@H+](Cc1nc(-c2ccccc2)no1)C1CCC(c2ccccc2)CC1 ZINC000058394189 563944863 /nfs/dbraw/zinc/94/48/63/563944863.db2.gz AEHKQTYTFISOHJ-UHFFFAOYSA-N 1 0 347.462 4.895 50 0 EJAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065376230 563958889 /nfs/dbraw/zinc/95/88/89/563958889.db2.gz NTNKEVPUJMRNGE-NXNYUAIASA-N 1 0 345.446 4.629 50 0 EJAARO c1cc(-c2c(-c3ccccc3)ncn2[C@H]2C[NH+]3CCC2CC3)cs1 ZINC000065410825 563960396 /nfs/dbraw/zinc/96/03/96/563960396.db2.gz RTLMLFNFJWSYPW-SFHVURJKSA-N 1 0 335.476 4.545 50 0 EJAARO Cc1cccc(-c2cc([C@H]3CC[N@H+](Cc4ccco4)C3)ccn2)c1C ZINC000065435219 563960909 /nfs/dbraw/zinc/96/09/09/563960909.db2.gz WJVKPOABYFOFLV-IBGZPJMESA-N 1 0 332.447 4.948 50 0 EJAARO CCc1ccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)cc1 ZINC000004678239 563963776 /nfs/dbraw/zinc/96/37/76/563963776.db2.gz NOPUPSCVWDUJOK-UHFFFAOYSA-N 1 0 325.843 4.915 50 0 EJAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1C ZINC000004678774 563963855 /nfs/dbraw/zinc/96/38/55/563963855.db2.gz GSQYVCNTKHYFQO-UHFFFAOYSA-N 1 0 335.495 4.752 50 0 EJAARO COc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc(Cl)c1OC ZINC000060830550 563974959 /nfs/dbraw/zinc/97/49/59/563974959.db2.gz LQOBCQKISBGRIP-NSHDSACASA-N 1 0 340.250 4.861 50 0 EJAARO CCOc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1OC ZINC000000174638 563987631 /nfs/dbraw/zinc/98/76/31/563987631.db2.gz LIOOOHDVCJZSIK-UHFFFAOYSA-N 1 0 339.479 4.696 50 0 EJAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2Sc1ccc(Cl)cc1 ZINC000005525563 564004983 /nfs/dbraw/zinc/00/49/83/564004983.db2.gz MXEIBCYOSABGBK-HKUYNNGSSA-N 1 0 344.911 4.963 50 0 EJAARO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c(C)n1 ZINC000155770123 564008328 /nfs/dbraw/zinc/00/83/28/564008328.db2.gz PXFNPVVCCPEEIL-LSDHHAIUSA-N 1 0 332.451 4.567 50 0 EJAARO CCS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000108139568 564027781 /nfs/dbraw/zinc/02/77/81/564027781.db2.gz IAJBWDLSSIBMSE-YUSALJHKSA-N 1 0 333.328 4.900 50 0 EJAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000058773523 564031889 /nfs/dbraw/zinc/03/18/89/564031889.db2.gz ZAFJFOWSYFHMPC-YOEHRIQHSA-N 1 0 338.476 4.946 50 0 EJAARO CC[NH+](CC)CCOc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000032230907 564036049 /nfs/dbraw/zinc/03/60/49/564036049.db2.gz MRCUDDHDPPYVCN-UHFFFAOYSA-N 1 0 343.858 4.604 50 0 EJAARO Fc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)co2)c1 ZINC000028965821 564047653 /nfs/dbraw/zinc/04/76/53/564047653.db2.gz MDRMNZARSCEVMR-HXUWFJFHSA-N 1 0 336.410 4.688 50 0 EJAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000225605896 564048339 /nfs/dbraw/zinc/04/83/39/564048339.db2.gz GUTFVXSRNNWZBU-LXZKKBNFSA-N 1 0 343.433 4.677 50 0 EJAARO C[N+]1=C(/C=C/c2coc3ccccc3c2=O)C(C)(C)c2ccccc21 ZINC000685944290 564051403 /nfs/dbraw/zinc/05/14/03/564051403.db2.gz IOTSQRNHYUHQOV-OUKQBFOZSA-N 1 0 330.407 4.512 50 0 EJAARO Cc1ccc(Cn2c[n+](Cc3ccccc3C)c3ccccc32)cc1 ZINC000252509019 564053568 /nfs/dbraw/zinc/05/35/68/564053568.db2.gz YBFFUENMXOPNFX-UHFFFAOYSA-N 1 0 327.451 4.642 50 0 EJAARO Cc1ccc2cc(CN3CCc4sccc4C3)c(Cl)nc2c1 ZINC000025309982 564054122 /nfs/dbraw/zinc/05/41/22/564054122.db2.gz JRDXWNTVSQPKPM-UHFFFAOYSA-N 1 0 328.868 4.816 50 0 EJAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccco3)CCO[C@H](C(C)C)C2)cc1 ZINC000001867331 564058034 /nfs/dbraw/zinc/05/80/34/564058034.db2.gz LWJUFUPLTBOXHQ-FCHUYYIVSA-N 1 0 341.495 4.841 50 0 biogenic EJAARO CCc1ccc(/C=C2\C[N@@H+](C)C/C(=C/c3ccc(CC)cc3)C2O)cc1 ZINC000083314095 564063100 /nfs/dbraw/zinc/06/31/00/564063100.db2.gz OLLXKZAKKAXRMF-OQRYGUKSSA-N 1 0 347.502 4.585 50 0 EJAARO CCCOc1ccccc1C=NNc1cc(C)[nH+]c2ccc(OC)cc12 ZINC000004991909 564070401 /nfs/dbraw/zinc/07/04/01/564070401.db2.gz XMKZCIZYYZBFAV-HYARGMPZSA-N 1 0 349.434 4.787 50 0 EJAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837219 564076488 /nfs/dbraw/zinc/07/64/88/564076488.db2.gz BCTKUZFIWDTAMS-LJQANCHMSA-N 1 0 343.442 4.959 50 0 EJAARO Cc1sc([C@H](C)[NH2+]C2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000168585131 564076781 /nfs/dbraw/zinc/07/67/81/564076781.db2.gz CAUVUPVMZRENHZ-NSHDSACASA-N 1 0 336.888 4.602 50 0 EJAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000075093152 564079984 /nfs/dbraw/zinc/07/99/84/564079984.db2.gz LDVDTIYGAJOHTI-INIZCTEOSA-N 1 0 331.463 4.806 50 0 EJAARO C[C@@H]([NH2+]CC(C)(C)c1ccccc1Br)c1nccs1 ZINC000090590778 564084820 /nfs/dbraw/zinc/08/48/20/564084820.db2.gz NDFQBNIOFKLGCM-LLVKDONJSA-N 1 0 339.302 4.534 50 0 EJAARO C[C@H](CC[N@@H+]1CCN2CCC[C@H]2[C@H]1C1CCCCC1)c1ccccc1 ZINC000239306252 564088059 /nfs/dbraw/zinc/08/80/59/564088059.db2.gz GPUZEMUACDCDIM-WTIAFYNJSA-N 1 0 340.555 4.909 50 0 EJAARO 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 564088076 /nfs/dbraw/zinc/08/80/76/564088076.db2.gz KUFAUZJRIITNBN-MCSHHISBSA-N 1 0 333.560 4.758 50 0 EJAARO CCCCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000239433698 564088161 /nfs/dbraw/zinc/08/81/61/564088161.db2.gz YIBLLNKVEAJJCJ-ODAXIHTASA-N 1 0 337.507 5.362 50 0 EJAARO CC1(C)C[C@@H]([C@@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)CCO1 ZINC000001817951 564088721 /nfs/dbraw/zinc/08/87/21/564088721.db2.gz VGFDASKIEQFNNO-PMACEKPBSA-N 1 0 341.495 4.823 50 0 biogenic EJAARO Cc1noc(-c2ccc(-c3ccc([C@@H](C)[NH+]4CCCCC4)cc3)nc2)n1 ZINC000426730548 564094463 /nfs/dbraw/zinc/09/44/63/564094463.db2.gz VRZLHHCAMAOLEW-OAHLLOKOSA-N 1 0 348.450 4.654 50 0 EJAARO c1cncc([C@H]2CCCC[N@H+]2CCCOc2ccc3c(c2)CCC3)c1 ZINC000006624477 564094618 /nfs/dbraw/zinc/09/46/18/564094618.db2.gz NOLGZYBMBYUYIW-JOCHJYFZSA-N 1 0 336.479 4.566 50 0 biogenic EJAARO c1cncc([C@@H]2CCCC[N@H+]2CCCOc2ccc3c(c2)CCC3)c1 ZINC000006624476 564094623 /nfs/dbraw/zinc/09/46/23/564094623.db2.gz NOLGZYBMBYUYIW-QFIPXVFZSA-N 1 0 336.479 4.566 50 0 biogenic EJAARO C[C@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744145 564096817 /nfs/dbraw/zinc/09/68/17/564096817.db2.gz KHTUVFPJQCSGIT-SFTDATJTSA-N 1 0 343.898 4.817 50 0 EJAARO CC(C)OP(=O)(OC(C)C)[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000006762704 564097327 /nfs/dbraw/zinc/09/73/27/564097327.db2.gz YXAOLNQFCZWDQD-KLZNEWFBSA-N 1 0 329.421 4.531 50 0 EJAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000006787909 564097786 /nfs/dbraw/zinc/09/77/86/564097786.db2.gz XEHLBMWUFBXMTO-UHFFFAOYSA-N 1 0 344.886 4.543 50 0 EJAARO CCC[NH+]1CCC(Nc2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000089959039 564115861 /nfs/dbraw/zinc/11/58/61/564115861.db2.gz PQTNIVVBDVNYOF-UHFFFAOYSA-N 1 0 337.389 4.540 50 0 EJAARO C[C@@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2Br)C1 ZINC000002823663 564117012 /nfs/dbraw/zinc/11/70/12/564117012.db2.gz XXNKKQHOPHTSDT-GFCCVEGCSA-N 1 0 346.696 4.603 50 0 EJAARO CCc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)oc1-c1ccccc1 ZINC000252538735 564120610 /nfs/dbraw/zinc/12/06/10/564120610.db2.gz NGCVTPQROISFPX-IAAVTCLWSA-N 1 0 340.467 4.512 50 0 EJAARO CCCCCOc1ccc([C@@](O)(CC[NH+](C)C)C2CCCCC2)cc1 ZINC000002193325 564120739 /nfs/dbraw/zinc/12/07/39/564120739.db2.gz FCOCMDJFHNPRQP-JOCHJYFZSA-N 1 0 347.543 4.975 50 0 EJAARO CCc1ccc2c(C[n+]3ccc(C(CC)CC)cc3)cc(=O)oc2c1 ZINC000007762719 564122840 /nfs/dbraw/zinc/12/28/40/564122840.db2.gz ICWMSTLNLCFIDM-UHFFFAOYSA-N 1 0 336.455 4.595 50 0 EJAARO c1coc([C@@H](CNc2nsc3ccccc32)[NH+]2CCCCC2)c1 ZINC000007778864 564123084 /nfs/dbraw/zinc/12/30/84/564123084.db2.gz QAQVTPKEMVYMMP-OAHLLOKOSA-N 1 0 327.453 4.528 50 0 EJAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2Sc1ccc(Cl)cc1 ZINC000253387534 564130360 /nfs/dbraw/zinc/13/03/60/564130360.db2.gz MXEIBCYOSABGBK-IEBWSBKVSA-N 1 0 344.911 4.963 50 0 EJAARO c1ccc2c(c1)cccc2OC[C@H]1C[N@@H+](C2CCCCC2)CS1 ZINC000019897349 564138268 /nfs/dbraw/zinc/13/82/68/564138268.db2.gz PTOXMOXKVOYELA-GOSISDBHSA-N 1 0 327.493 4.926 50 0 EJAARO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095420393 564139924 /nfs/dbraw/zinc/13/99/24/564139924.db2.gz KOVGTQYCOJCTMY-UONOGXRCSA-N 1 0 343.496 4.752 50 0 EJAARO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000095943440 564142112 /nfs/dbraw/zinc/14/21/12/564142112.db2.gz BDVXBSJEEMUPHF-OAHLLOKOSA-N 1 0 328.456 4.508 50 0 EJAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095946717 564142253 /nfs/dbraw/zinc/14/22/53/564142253.db2.gz UOCLZCIQOCUTEB-PIGZYNQJSA-N 1 0 349.261 4.598 50 0 EJAARO CC(C)OCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000095961355 564142739 /nfs/dbraw/zinc/14/27/39/564142739.db2.gz HHMZRZFLBGNWBL-GOSISDBHSA-N 1 0 343.515 4.612 50 0 EJAARO C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 ZINC000095964883 564142890 /nfs/dbraw/zinc/14/28/90/564142890.db2.gz JCDNLUAWUKKVEU-CABCVRRESA-N 1 0 330.422 4.977 50 0 EJAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000028352285 564151001 /nfs/dbraw/zinc/15/10/01/564151001.db2.gz UQZJTEIEXIRSBI-CABCVRRESA-N 1 0 336.410 4.657 50 0 EJAARO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3ccccc3)c2cc1C(C)C ZINC000057406052 564153956 /nfs/dbraw/zinc/15/39/56/564153956.db2.gz AYFUMZYGRRTFIH-UHFFFAOYSA-N 1 0 335.447 4.857 50 0 EJAARO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)c2cc1C ZINC000057553983 564154937 /nfs/dbraw/zinc/15/49/37/564154937.db2.gz ZHZQEWZNRYAAFW-AWEZNQCLSA-N 1 0 341.838 4.914 50 0 EJAARO Cc1ccc2c(C[N@@H+](Cc3cccs3)C(C)C)cc(=O)oc2c1 ZINC000057570167 564155039 /nfs/dbraw/zinc/15/50/39/564155039.db2.gz LCNYYGGMTKLYLM-UHFFFAOYSA-N 1 0 327.449 4.574 50 0 EJAARO c1ccc2oc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)nc2c1 ZINC000008076287 564162548 /nfs/dbraw/zinc/16/25/48/564162548.db2.gz LMZHSPRRCLPEHI-UHFFFAOYSA-N 1 0 349.459 4.817 50 0 EJAARO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CCCc4ccccc43)c2cc1C ZINC000008126311 564162887 /nfs/dbraw/zinc/16/28/87/564162887.db2.gz CJIWPGFHMAPSDC-NRFANRHFSA-N 1 0 347.458 4.919 50 0 EJAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320219 564164317 /nfs/dbraw/zinc/16/43/17/564164317.db2.gz BGOONDJWFCOMKF-IUODEOHRSA-N 1 0 334.872 4.566 50 0 EJAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@@H+]1CCC[C@@H](C)C1 ZINC000008717969 564166851 /nfs/dbraw/zinc/16/68/51/564166851.db2.gz TUFKCQXQMQYRLP-OAHLLOKOSA-N 1 0 342.483 4.516 50 0 EJAARO CC(C)[NH+]1CCC(c2nccn2[C@@H](C)c2ccc3[nH]ccc3c2)CC1 ZINC000071746862 564175190 /nfs/dbraw/zinc/17/51/90/564175190.db2.gz UPMVUFQVFLHLBX-INIZCTEOSA-N 1 0 336.483 4.562 50 0 EJAARO C[C@@]12CCCC[N@@H+]1CCc1c3ccccc3n(Cc3ccccc3)c12 ZINC000051943491 214110195 /nfs/dbraw/zinc/11/01/95/214110195.db2.gz ZBJOXDVCELHJTF-QHCPKHFHSA-N 1 0 330.475 4.947 50 0 EJAARO FC(F)(F)c1cccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000055211412 214288172 /nfs/dbraw/zinc/28/81/72/214288172.db2.gz XFMJWEIWAAWRJQ-GOSISDBHSA-N 1 0 328.337 4.689 50 0 EJAARO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+][C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004546171 210219185 /nfs/dbraw/zinc/21/91/85/210219185.db2.gz SFZFJLNLICHCTF-YVCBRDFCSA-N 1 0 348.490 4.756 50 0 EJAARO COCc1nc2cc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)ccc2o1 ZINC000065430944 214907779 /nfs/dbraw/zinc/90/77/79/214907779.db2.gz PQLIPTQMAZJTFX-HNNXBMFYSA-N 1 0 336.435 4.798 50 0 EJAARO CC(=O)O[C@]1(c2ccccc2)C[C@@H](C(C)(C)C)C[N@@H+](C(C)(C)C)C1 ZINC000004188290 210141560 /nfs/dbraw/zinc/14/15/60/210141560.db2.gz XENZICQEFWMILM-WIYYLYMNSA-N 1 0 331.500 4.612 50 0 EJAARO CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)[N@@H+]2C ZINC000003953158 210096114 /nfs/dbraw/zinc/09/61/14/210096114.db2.gz VCVWXKKWDOJNIT-ZOMKSWQUSA-N 1 0 328.283 4.596 50 0 investigational EJAARO C[N@@H+]1[C@@H](CC(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C ZINC000003957433 210095609 /nfs/dbraw/zinc/09/56/09/210095609.db2.gz AUSGKSYHQUASAZ-SFHVURJKSA-N 1 0 342.870 4.676 50 0 EJAARO CC1CC[NH+](CCCOc2ccc(Cl)cc2Br)CC1 ZINC000003247078 209987285 /nfs/dbraw/zinc/98/72/85/209987285.db2.gz JEPORSKVSUFAPU-UHFFFAOYSA-N 1 0 346.696 4.603 50 0 EJAARO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cc2ccccc2)c1 ZINC000042773737 213532657 /nfs/dbraw/zinc/53/26/57/213532657.db2.gz QIIMPOHSZMOSOV-IBGZPJMESA-N 1 0 329.871 4.842 50 0 EJAARO CCCC[NH2+]CCCOc1c(Cl)cc(C)cc1Br ZINC000003003285 209952429 /nfs/dbraw/zinc/95/24/29/209952429.db2.gz PZJLRGYAIBAXHW-UHFFFAOYSA-N 1 0 334.685 4.570 50 0 EJAARO c1ccc(COc2ccc(OCCC[NH+]3CCCCCC3)cc2)cc1 ZINC000002839433 209925836 /nfs/dbraw/zinc/92/58/36/209925836.db2.gz BWZISJMNSCZVAG-UHFFFAOYSA-N 1 0 339.479 4.911 50 0 EJAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1nc2ccccc2cc1C ZINC000067974098 215264063 /nfs/dbraw/zinc/26/40/63/215264063.db2.gz BURCDTYJLRTNHD-UHFFFAOYSA-N 1 0 348.446 4.940 50 0 EJAARO CC[NH+](CC)CCCCCCOc1ccc(Br)cc1 ZINC000002880615 209934701 /nfs/dbraw/zinc/93/47/01/209934701.db2.gz TZSICKANMXJOFC-UHFFFAOYSA-N 1 0 328.294 4.730 50 0 EJAARO CC[N+](CC)=c1sc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000001822424 209796763 /nfs/dbraw/zinc/79/67/63/209796763.db2.gz VOEMFBQFXPTRCN-UHFFFAOYSA-N 1 0 326.510 4.956 50 0 EJAARO c1ccc(C2CCC(N3CC[NH+](C[C@@H]4CC=CCC4)CC3)CC2)cc1 ZINC000019362929 202006114 /nfs/dbraw/zinc/00/61/14/202006114.db2.gz BNMBNFNEQOPLIN-RDABAPPSSA-N 1 0 338.539 4.687 50 0 EJAARO c1ccn2c(c1)nc(C13CC4CC(CC(C4)C1)C3)c2C[NH+]1CCCCC1 ZINC000039943393 213244128 /nfs/dbraw/zinc/24/41/28/213244128.db2.gz OTGXSOQYLZCKAK-UHFFFAOYSA-N 1 0 349.522 4.788 50 0 EJAARO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038856661 213227538 /nfs/dbraw/zinc/22/75/38/213227538.db2.gz VIEUNRMDVQLZRW-IBGZPJMESA-N 1 0 336.479 4.661 50 0 EJAARO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036347555 213086044 /nfs/dbraw/zinc/08/60/44/213086044.db2.gz TUXPHMURPWFRBA-HSZRJFAPSA-N 1 0 346.474 4.800 50 0 EJAARO COc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1cccc(C)c1 ZINC000036347722 213085423 /nfs/dbraw/zinc/08/54/23/213085423.db2.gz XAYDFAQQSYEISD-QHCPKHFHSA-N 1 0 346.474 4.800 50 0 EJAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000036347632 213085353 /nfs/dbraw/zinc/08/53/53/213085353.db2.gz CJTSGMCFXDGPMI-QFIPXVFZSA-N 1 0 334.438 4.931 50 0 EJAARO Cc1c(C)n(Cc2ccccn2)c2[nH+]c(-c3ccccc3)c(C)c(N)c12 ZINC000036351253 213088144 /nfs/dbraw/zinc/08/81/44/213088144.db2.gz IOMRDTGSIYFCPB-UHFFFAOYSA-N 1 0 342.446 4.654 50 0 EJAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000032754492 202232084 /nfs/dbraw/zinc/23/20/84/202232084.db2.gz HSZGUGRXXCFFGY-INIZCTEOSA-N 1 0 331.419 4.812 50 0 EJAARO c1csc([C@H](C[NH2+]Cc2cccnc2)c2c[nH]c3ccccc32)c1 ZINC000071839173 215869047 /nfs/dbraw/zinc/86/90/47/215869047.db2.gz LCARFNAGLFSNAL-GOSISDBHSA-N 1 0 333.460 4.546 50 0 EJAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347819 202321221 /nfs/dbraw/zinc/32/12/21/202321221.db2.gz DPCSAWHFTHFOSB-QFIPXVFZSA-N 1 0 334.438 4.931 50 0 EJAARO CCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000072314846 216149308 /nfs/dbraw/zinc/14/93/08/216149308.db2.gz UQQSCVHTFHOLHM-LJQANCHMSA-N 1 0 331.481 4.513 50 0 EJAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000000144070 209447591 /nfs/dbraw/zinc/44/75/91/209447591.db2.gz DARHMUUNLZEAET-UHFFFAOYSA-N 1 0 326.783 4.727 50 0 EJAARO c1cc([C@@H]2CCCCO2)sc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000072428462 216219050 /nfs/dbraw/zinc/21/90/50/216219050.db2.gz KWZNPPKAQQTKME-IBGZPJMESA-N 1 0 342.508 4.764 50 0 EJAARO CCC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042775259 202502488 /nfs/dbraw/zinc/50/24/88/202502488.db2.gz NIBNPWHRFWXKII-CYBMUJFWSA-N 1 0 340.305 4.515 50 0 EJAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000023280222 212366659 /nfs/dbraw/zinc/36/66/59/212366659.db2.gz HORALTXJBPFJMB-AWEZNQCLSA-N 1 0 348.284 4.569 50 0 EJAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc2ccccc21 ZINC000022788083 212325587 /nfs/dbraw/zinc/32/55/87/212325587.db2.gz PIQJOOOTACAFAE-QGZVFWFLSA-N 1 0 327.431 4.876 50 0 EJAARO c1ccn(-c2ccc(CC3CC[NH+](Cc4cccs4)CC3)cc2)c1 ZINC000022630032 212313041 /nfs/dbraw/zinc/31/30/41/212313041.db2.gz BFSRJWMWSHOFHW-UHFFFAOYSA-N 1 0 336.504 4.994 50 0 EJAARO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000216205224 241175006 /nfs/dbraw/zinc/17/50/06/241175006.db2.gz VRDVNYDDFBXMFB-AEFFLSMTSA-N 1 0 339.458 4.752 50 0 EJAARO C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1cccc2cnccc21 ZINC000215530388 241130628 /nfs/dbraw/zinc/13/06/28/241130628.db2.gz SPHCLFYQFHUQPG-FQEVSTJZSA-N 1 0 336.435 4.701 50 0 EJAARO C[NH+](C)Cc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1N ZINC000000332424 201462155 /nfs/dbraw/zinc/46/21/55/201462155.db2.gz JZMIQIGBZKFZPU-UHFFFAOYSA-N 1 0 344.377 4.640 50 0 EJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000021720886 212244925 /nfs/dbraw/zinc/24/49/25/212244925.db2.gz KIGUXUIOAJVVNQ-GOSISDBHSA-N 1 0 328.456 4.670 50 0 EJAARO COc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccc(F)cc2)cc1 ZINC000002414552 201531830 /nfs/dbraw/zinc/53/18/30/201531830.db2.gz QFSYWFLKAGTKFJ-FQEVSTJZSA-N 1 0 339.410 4.739 50 0 EJAARO CCCC[NH2+]CCCCCCOc1ccccc1Br ZINC000002902169 201551675 /nfs/dbraw/zinc/55/16/75/201551675.db2.gz BUJZFSSXFZUCBA-UHFFFAOYSA-N 1 0 328.294 4.778 50 0 EJAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)o1 ZINC000020994166 212195336 /nfs/dbraw/zinc/19/53/36/212195336.db2.gz SXCUCEWFAPODFM-SFHVURJKSA-N 1 0 335.451 4.666 50 0 EJAARO CCOc1c(Cl)cc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000005078346 201637742 /nfs/dbraw/zinc/63/77/42/201637742.db2.gz SGVGNJGOVBBCRJ-UHFFFAOYSA-N 1 0 325.880 4.950 50 0 EJAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000020908313 212186184 /nfs/dbraw/zinc/18/61/84/212186184.db2.gz WHNVCDLOMYGKLI-IBGZPJMESA-N 1 0 349.453 4.904 50 0 EJAARO c1csc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020865011 212178795 /nfs/dbraw/zinc/17/87/95/212178795.db2.gz KZKQGMLJOQPPPJ-QGZVFWFLSA-N 1 0 326.490 4.672 50 0 EJAARO Fc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccncc3)no2)cc1 ZINC000244723525 243070222 /nfs/dbraw/zinc/07/02/22/243070222.db2.gz MDFOIGYZHRNVPF-FQEVSTJZSA-N 1 0 337.398 4.603 50 0 EJAARO C[C@@H]1C[NH+](CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@@H](C)O1 ZINC000020167507 212108160 /nfs/dbraw/zinc/10/81/60/212108160.db2.gz XLYSZANINBJJJD-HUUCEWRRSA-N 1 0 339.907 4.516 50 0 EJAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020203419 212110798 /nfs/dbraw/zinc/11/07/98/212110798.db2.gz RQRXBFJLGRFDBE-UHFFFAOYSA-N 1 0 331.463 4.765 50 0 EJAARO C[C@@H]1C[NH+](CCCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000020168415 212108653 /nfs/dbraw/zinc/10/86/53/212108653.db2.gz KJVYOTNIJSFCAY-RTBURBONSA-N 1 0 339.479 4.622 50 0 EJAARO C[C@H]1C[NH+](CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000020168419 212108730 /nfs/dbraw/zinc/10/87/30/212108730.db2.gz KJVYOTNIJSFCAY-OALUTQOASA-N 1 0 339.479 4.622 50 0 EJAARO O[C@H](C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1 ZINC000019872540 212077931 /nfs/dbraw/zinc/07/79/31/212077931.db2.gz BPAJTQFKTYJJBD-GOSISDBHSA-N 1 0 345.801 4.562 50 0 EJAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cccc4ccccc43)c2c1 ZINC000019848511 212075139 /nfs/dbraw/zinc/07/51/39/212075139.db2.gz YJHVLCIPGSVBHL-UHFFFAOYSA-N 1 0 344.458 4.970 50 0 EJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C[C@H](O)c2ccccc2)o1 ZINC000019796852 212069149 /nfs/dbraw/zinc/06/91/49/212069149.db2.gz CMAPKYOFFHEYDT-IBGZPJMESA-N 1 0 341.838 4.732 50 0 EJAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012676788 211432955 /nfs/dbraw/zinc/43/29/55/211432955.db2.gz YOIFKBVZIUEIIB-XIKOKIGWSA-N 1 0 346.833 4.547 50 0 EJAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000012754292 211446898 /nfs/dbraw/zinc/44/68/98/211446898.db2.gz LSMFEVRVLVSGJC-HOTGVXAUSA-N 1 0 348.446 4.526 50 0 EJAARO Cc1c([C@@H](C)[NH2+]Cc2cc(C)ccc2C)cnn1-c1cccc(F)c1 ZINC000012459812 211388133 /nfs/dbraw/zinc/38/81/33/211388133.db2.gz VGTZBKOADUEPIH-MRXNPFEDSA-N 1 0 337.442 4.787 50 0 EJAARO C[N@H+](Cc1c[nH]nc1-c1cccc2ccccc21)C(C1CC1)C1CC1 ZINC000012437578 211382491 /nfs/dbraw/zinc/38/24/91/211382491.db2.gz BIONIYZNDHUMHE-UHFFFAOYSA-N 1 0 331.463 4.850 50 0 EJAARO CC1(C)C[C@@](CC[NH2+]Cc2ccccc2)(Cc2ccccc2)CCO1 ZINC000012384392 211363103 /nfs/dbraw/zinc/36/31/03/211363103.db2.gz UEWIGVOOLPSOOV-HSZRJFAPSA-N 1 0 337.507 4.984 50 0 EJAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 ZINC000010351439 211166985 /nfs/dbraw/zinc/16/69/85/211166985.db2.gz CSZYKZMDYFNJRB-MGPUTAFESA-N 1 0 340.442 4.510 50 0 EJAARO COc1cc(C[NH2+][C@@H](c2cccs2)C(C)C)cc(Cl)c1O ZINC000009503239 211092877 /nfs/dbraw/zinc/09/28/77/211092877.db2.gz VEROLWJPZVKINI-OAHLLOKOSA-N 1 0 325.861 4.603 50 0 EJAARO Cc1ccc([C@H](CC[NH2+][C@H]2CCO[C@H](C(C)C)C2)c2ccco2)cc1 ZINC000009485882 211090195 /nfs/dbraw/zinc/09/01/95/211090195.db2.gz BGTUPBQBRXSYOP-ONTIZHBOSA-N 1 0 341.495 4.903 50 0 EJAARO CCCCC1CCC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000008915189 211016352 /nfs/dbraw/zinc/01/63/52/211016352.db2.gz KHBAGKKFBRJIQE-ACBHZAAOSA-N 1 0 346.515 4.529 50 0 EJAARO Cc1ccc(Cl)c(C[NH+]2CCC(c3nccn3C(C)C)CC2)c1F ZINC000095385154 218316387 /nfs/dbraw/zinc/31/63/87/218316387.db2.gz PZZYXYJJFOLXSI-UHFFFAOYSA-N 1 0 349.881 4.945 50 0 EJAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O ZINC000095427037 218369479 /nfs/dbraw/zinc/36/94/79/218369479.db2.gz HZOYGJNXOKTADW-IAQYHMDHSA-N 1 0 336.357 4.534 50 0 EJAARO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000095421535 218363371 /nfs/dbraw/zinc/36/33/71/218363371.db2.gz JCBDULRIUOTXOK-UYGSHGSRSA-N 1 0 327.493 4.542 50 0 EJAARO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2C)cc1NC(C)=O ZINC000095422539 218365245 /nfs/dbraw/zinc/36/52/45/218365245.db2.gz IUMXWCJVOKGQAQ-HZPDHXFCSA-N 1 0 340.467 4.682 50 0 EJAARO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CCCC(C)C ZINC000095450972 218395792 /nfs/dbraw/zinc/39/57/92/218395792.db2.gz KOEWMCWRWGVXCS-HNNXBMFYSA-N 1 0 349.519 4.502 50 0 EJAARO COc1ccc2c(c1)Sc1ccccc1N2CC1CC[NH+](C)CC1 ZINC000095706047 218447184 /nfs/dbraw/zinc/44/71/84/218447184.db2.gz HMZOSFTWIYZBTQ-UHFFFAOYSA-N 1 0 340.492 4.640 50 0 EJAARO COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OCc1ccccc1 ZINC000004987719 210351538 /nfs/dbraw/zinc/35/15/38/210351538.db2.gz RVJRKJHWOFRELA-QZTJIDSGSA-N 1 0 339.479 4.752 50 0 EJAARO C/C=C/c1ccc(OCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000004914986 210323100 /nfs/dbraw/zinc/32/31/00/210323100.db2.gz XJPDXOUEONEOAM-HEAXLZMOSA-N 1 0 331.500 4.865 50 0 EJAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccs1 ZINC000004942825 210333841 /nfs/dbraw/zinc/33/38/41/210333841.db2.gz PWEYTMTYLJRBOJ-UHFFFAOYSA-N 1 0 343.448 4.609 50 0 EJAARO CC[C@@H](C)c1ccc(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004906836 210318849 /nfs/dbraw/zinc/31/88/49/210318849.db2.gz SWQCGVOTNGYYTN-CEXWTWQISA-N 1 0 333.516 4.573 50 0 EJAARO CC(C)=Cc1oc2c(cc(Cl)cc2Cl)c1N1CC[NH+](C)CC1 ZINC000004837271 210292940 /nfs/dbraw/zinc/29/29/40/210292940.db2.gz DNOYFDFGYFDKCK-UHFFFAOYSA-N 1 0 339.266 4.915 50 0 EJAARO CC[NH+](CC)Cc1ccccc1C(O)(c1ccccc1)c1ccccc1 ZINC000004833132 210292381 /nfs/dbraw/zinc/29/23/81/210292381.db2.gz OCPVPVQPZYDBTP-UHFFFAOYSA-N 1 0 345.486 4.813 50 0 EJAARO Clc1ccccc1NC1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000004817069 210286801 /nfs/dbraw/zinc/28/68/01/210286801.db2.gz JXXRWTGRTKEZOE-UHFFFAOYSA-N 1 0 339.870 4.898 50 0 EJAARO CC1CC[NH+](CCOCCOc2c(Cl)ccc3ccccc32)CC1 ZINC000005102075 258051449 /nfs/dbraw/zinc/05/14/49/258051449.db2.gz XJDRPJAQIUYADO-UHFFFAOYSA-N 1 0 347.886 4.621 50 0 EJAARO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000071774986 258063955 /nfs/dbraw/zinc/06/39/55/258063955.db2.gz UDBHGHCHSNJGCM-QGZVFWFLSA-N 1 0 348.412 4.945 50 0 EJAARO C[N@H+](C[C@H](O)c1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000028909256 523101751 /nfs/dbraw/zinc/10/17/51/523101751.db2.gz NIVNLPOAKGFAQT-NRFANRHFSA-N 1 0 335.422 4.581 50 0 EJAARO COc1ccc(Oc2ccc(C[NH2+]Cc3ccc(C)s3)cn2)cc1 ZINC000040120012 524994852 /nfs/dbraw/zinc/99/48/52/524994852.db2.gz QQEGFYKAVLUCIK-UHFFFAOYSA-N 1 0 340.448 4.542 50 0 EJAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000002679977 563917972 /nfs/dbraw/zinc/91/79/72/563917972.db2.gz LGSFGFSFIHSWAC-CYBMUJFWSA-N 1 0 348.314 4.538 50 0 EJAARO CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000002886105 563461741 /nfs/dbraw/zinc/46/17/41/563461741.db2.gz HZIRAWJBEANUPI-UHFFFAOYSA-N 1 0 340.250 4.691 50 0 EJAARO Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCOc1ccccc1 ZINC000001845143 563414186 /nfs/dbraw/zinc/41/41/86/563414186.db2.gz IYAFFIUNILMTSL-IBGZPJMESA-N 1 0 340.854 4.867 50 0 EJAARO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000002181827 563425433 /nfs/dbraw/zinc/42/54/33/563425433.db2.gz CRTVAXUXMYMUEM-UHFFFAOYSA-N 1 0 348.874 4.602 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1Cl ZINC000002515084 563436358 /nfs/dbraw/zinc/43/63/58/563436358.db2.gz ARDYNEROAUNCGD-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO COc1ccc(F)cc1-c1cncc(C[N@H+](C)Cc2ccccc2)c1 ZINC000034670388 563445216 /nfs/dbraw/zinc/44/52/16/563445216.db2.gz MURVSOOUBRHLLF-UHFFFAOYSA-N 1 0 336.410 4.528 50 0 EJAARO C[C@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000004980672 563517089 /nfs/dbraw/zinc/51/70/89/563517089.db2.gz ZCYQVRRSGRUGSX-MRXNPFEDSA-N 1 0 348.412 4.631 50 0 EJAARO Cc1nnc([C@@H](C)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)o1 ZINC000071902710 563555777 /nfs/dbraw/zinc/55/57/77/563555777.db2.gz GCUOZFAYSHLNHA-WCQYABFASA-N 1 0 342.468 4.530 50 0 EJAARO CC1CC[NH+](CCOc2ccc3ccccc3c2Br)CC1 ZINC000006308992 563564910 /nfs/dbraw/zinc/56/49/10/563564910.db2.gz FDHNOQOWTRTLFX-UHFFFAOYSA-N 1 0 348.284 4.713 50 0 EJAARO C[N@@H+]1CCC[C@@H](O[C@@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000006638636 563575916 /nfs/dbraw/zinc/57/59/16/563575916.db2.gz KJDWUCZKWFAWFB-DYESRHJHSA-N 1 0 339.504 4.883 50 0 EJAARO Clc1ccccc1COc1ccccc1C[NH2+]Cc1cccnc1 ZINC000006671715 563577853 /nfs/dbraw/zinc/57/78/53/563577853.db2.gz SYGFFWVHJVVZNW-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1Cl ZINC000006698224 563578956 /nfs/dbraw/zinc/57/89/56/563578956.db2.gz UBABFXTUUWDKDL-UHFFFAOYSA-N 1 0 343.858 4.970 50 0 EJAARO Clc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c(Cl)c1 ZINC000007365341 563600134 /nfs/dbraw/zinc/60/01/34/563600134.db2.gz RMLGZGNUHKBZJY-UHFFFAOYSA-N 1 0 333.218 4.938 50 0 EJAARO Cc1nn2c(nc(C)cc2Nc2cc[nH+]cc2)c1-c1ccccc1Cl ZINC000007572464 563606367 /nfs/dbraw/zinc/60/63/67/563606367.db2.gz LLRHQEDEAOKTPS-UHFFFAOYSA-N 1 0 349.825 4.805 50 0 EJAARO C[C@H]([NH2+]Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012792860 563671919 /nfs/dbraw/zinc/67/19/19/563671919.db2.gz WLAVANZANPOHMW-KRWDZBQOSA-N 1 0 346.430 4.596 50 0 EJAARO COc1ccccc1[C@@H](C)[N@H+](C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000015064905 563775102 /nfs/dbraw/zinc/77/51/02/563775102.db2.gz WAODTHSAZFHTQQ-QGZVFWFLSA-N 1 0 349.478 4.895 50 0 EJAARO Cc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)CC3CC3)c(C)o2)o1 ZINC000015075825 563776489 /nfs/dbraw/zinc/77/64/89/563776489.db2.gz JZKQJSCEPOAFJT-UHFFFAOYSA-N 1 0 336.435 4.964 50 0 EJAARO Cc1cccc(NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000017071155 563833949 /nfs/dbraw/zinc/83/39/49/563833949.db2.gz SYPHVENCLCODHR-UHFFFAOYSA-N 1 0 339.508 4.790 50 0 EJAARO Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 ZINC000017122444 563837188 /nfs/dbraw/zinc/83/71/88/563837188.db2.gz WNHPTNMZGCSRLW-UHFFFAOYSA-N 1 0 327.860 4.581 50 0 EJAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000017310333 563842618 /nfs/dbraw/zinc/84/26/18/563842618.db2.gz BUOXCICQQOPRAB-UHFFFAOYSA-N 1 0 327.811 4.898 50 0 EJAARO C=C1c2ccccc2NC(=O)N1Cc1ccccc1C[NH+]1CCCCC1 ZINC000025048834 563880321 /nfs/dbraw/zinc/88/03/21/563880321.db2.gz BXYBZNFITKPNMK-UHFFFAOYSA-N 1 0 347.462 4.691 50 0 EJAARO Cc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 ZINC000025423990 563884550 /nfs/dbraw/zinc/88/45/50/563884550.db2.gz OEUBNDWFXOQMBG-MRXNPFEDSA-N 1 0 325.433 4.500 50 0 EJAARO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048265090 563886042 /nfs/dbraw/zinc/88/60/42/563886042.db2.gz BBZBWIFLVTWNSB-MRXNPFEDSA-N 1 0 346.521 4.636 50 0 EJAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018638 563914690 /nfs/dbraw/zinc/91/46/90/563914690.db2.gz JOWCYVQDFHLYRD-UHFFFAOYSA-N 1 0 341.838 4.777 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2sccc2C)cc1O ZINC000033087151 563915029 /nfs/dbraw/zinc/91/50/29/563915029.db2.gz ZPDAINITPUUDCR-INIZCTEOSA-N 1 0 331.481 4.888 50 0 EJAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000002679976 563917979 /nfs/dbraw/zinc/91/79/79/563917979.db2.gz LGSFGFSFIHSWAC-ZDUSSCGKSA-N 1 0 348.314 4.538 50 0 EJAARO Cc1ccc([C@H](C)CC[NH+]2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000022077767 563918406 /nfs/dbraw/zinc/91/84/06/563918406.db2.gz VYANVQBLQKPKDN-GOSISDBHSA-N 1 0 326.484 4.521 50 0 EJAARO CC(C)=CCC/C(C)=C/CNCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000039959796 563922750 /nfs/dbraw/zinc/92/27/50/563922750.db2.gz JFIBVDBTCDTBRH-REZTVBANSA-N 1 0 330.560 4.683 50 0 investigational EJAARO CC(C)(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770558 563924939 /nfs/dbraw/zinc/92/49/39/563924939.db2.gz XTLHBIPJOKUGMR-AWEZNQCLSA-N 1 0 340.305 4.658 50 0 EJAARO CC(C)(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770562 563924952 /nfs/dbraw/zinc/92/49/52/563924952.db2.gz XTLHBIPJOKUGMR-CQSZACIVSA-N 1 0 340.305 4.658 50 0 EJAARO Cc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000042995854 563925066 /nfs/dbraw/zinc/92/50/66/563925066.db2.gz BBIRNDJBYQCHGR-IBGZPJMESA-N 1 0 349.453 4.904 50 0 EJAARO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000043041320 563925114 /nfs/dbraw/zinc/92/51/14/563925114.db2.gz MJANJNPOAFNFCI-GOSISDBHSA-N 1 0 335.426 4.595 50 0 EJAARO CCC1(C[NH2+]C2CCN(c3cccc(-c4cscn4)c3)CC2)CC1 ZINC000048212301 563930142 /nfs/dbraw/zinc/93/01/42/563930142.db2.gz LNIMVSGLVDTXGS-UHFFFAOYSA-N 1 0 341.524 4.559 50 0 EJAARO CCOc1cccc(C[N@H+](Cc2ccc3cccc(O)c3n2)C2CC2)c1 ZINC000055243657 563934182 /nfs/dbraw/zinc/93/41/82/563934182.db2.gz MJQAPROUUWDTGB-UHFFFAOYSA-N 1 0 348.446 4.504 50 0 EJAARO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000058271510 563941375 /nfs/dbraw/zinc/94/13/75/563941375.db2.gz TWTUHIFZBBKXRM-QGZVFWFLSA-N 1 0 347.462 4.752 50 0 EJAARO Cc1ncc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)s1 ZINC000058356208 563943393 /nfs/dbraw/zinc/94/33/93/563943393.db2.gz LHXOUVBXAUIUMX-UHFFFAOYSA-N 1 0 347.871 4.626 50 0 EJAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065376231 563958886 /nfs/dbraw/zinc/95/88/86/563958886.db2.gz NTNKEVPUJMRNGE-XMJIKXADSA-N 1 0 345.446 4.629 50 0 EJAARO CC(=O)c1cccc(-c2cc([C@@H]3CC[N@@H+](C/C=C/C(C)C)C3)ccn2)c1 ZINC000065464012 563961244 /nfs/dbraw/zinc/96/12/44/563961244.db2.gz JXRFWILADKGDJV-IOUFHMPJSA-N 1 0 348.490 4.953 50 0 EJAARO CCn1cc([C@@H](C)[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000284217905 563963192 /nfs/dbraw/zinc/96/31/92/563963192.db2.gz CNXMRGRJWMCECZ-GFCCVEGCSA-N 1 0 346.887 4.531 50 0 EJAARO CC(C)Oc1ccc([C@@H](O)[C@H](C)[NH2+]CCCCc2ccccc2)cc1 ZINC000071769681 563965603 /nfs/dbraw/zinc/96/56/03/563965603.db2.gz QDKRPNIRRVUUQY-AVRDEDQJSA-N 1 0 341.495 4.508 50 0 EJAARO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)on1 ZINC000075448611 563967294 /nfs/dbraw/zinc/96/72/94/563967294.db2.gz BAACWUNVVXCWQE-GOSISDBHSA-N 1 0 336.439 4.525 50 0 EJAARO O=C(C[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21)c1ccc(F)cc1 ZINC000097229474 563970663 /nfs/dbraw/zinc/97/06/63/563970663.db2.gz IQONXZGKSQNZAH-HXUWFJFHSA-N 1 0 348.421 4.611 50 0 EJAARO Cc1sc(NC(=O)c2ccc(F)cc2)c(C[NH+]2CCCCC2)c1C ZINC000004748613 563973120 /nfs/dbraw/zinc/97/31/20/563973120.db2.gz RWVMYXUITQEMPO-UHFFFAOYSA-N 1 0 346.471 4.742 50 0 EJAARO COCc1ccc(C[NH2+]Cc2cc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000072312292 563983919 /nfs/dbraw/zinc/98/39/19/563983919.db2.gz ZRIZZCGREJKNMZ-UHFFFAOYSA-N 1 0 349.261 4.911 50 0 EJAARO Clc1ccc(CN2c3ccccc3N3CCC[NH+]=C23)c(Cl)c1 ZINC000000186899 563988048 /nfs/dbraw/zinc/98/80/48/563988048.db2.gz AWTIHXFFIIEHNK-UHFFFAOYSA-N 1 0 332.234 4.580 50 0 EJAARO C[NH+](C)CC/C=C1\c2cc(F)ccc2CSc2ccc(F)cc21 ZINC000000346511 563991408 /nfs/dbraw/zinc/99/14/08/563991408.db2.gz UKUVYHBUSBKUMK-AYSLTRBKSA-N 1 0 331.431 4.954 50 0 EJAARO Cc1cc(C)c(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCCC2)c(C)c1 ZINC000000186692 563996592 /nfs/dbraw/zinc/99/65/92/563996592.db2.gz KBOMNCDLICXPTM-LJQANCHMSA-N 1 0 328.500 4.738 50 0 EJAARO Clc1ccc(C[N@@H+]2CCC[C@H](COCc3ccccc3)C2)cc1 ZINC000062161894 564003671 /nfs/dbraw/zinc/00/36/71/564003671.db2.gz JJCXOIKXBNSVTC-IBGZPJMESA-N 1 0 329.871 4.769 50 0 EJAARO Cc1nn2c(nc(C)cc2Nc2cc[nH+]cc2)c1-c1ccc(Cl)cc1 ZINC000005489928 564004718 /nfs/dbraw/zinc/00/47/18/564004718.db2.gz XIDQFKMWYMRLSP-UHFFFAOYSA-N 1 0 349.825 4.805 50 0 EJAARO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c(C)n1 ZINC000155770349 564008330 /nfs/dbraw/zinc/00/83/30/564008330.db2.gz PXFNPVVCCPEEIL-HUUCEWRRSA-N 1 0 332.451 4.567 50 0 EJAARO c1ccc([C@@H]2[NH2+][C@@H]3c4ccccc4OC[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000017194219 564011419 /nfs/dbraw/zinc/01/14/19/564011419.db2.gz RCYAVNHQXWBEAI-YPIGPJMWSA-N 1 0 327.427 4.865 50 0 EJAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000107524694 564026988 /nfs/dbraw/zinc/02/69/88/564026988.db2.gz AUECQLRHFAMZEW-CUKRAGERSA-N 1 0 347.911 4.879 50 0 EJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000048261329 564030277 /nfs/dbraw/zinc/03/02/77/564030277.db2.gz YCLNOYJOBBHCIB-NRFANRHFSA-N 1 0 348.446 4.996 50 0 EJAARO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cccc(Br)c1 ZINC000028925722 564047597 /nfs/dbraw/zinc/04/75/97/564047597.db2.gz WXTYAZXBAQKCIT-CYBMUJFWSA-N 1 0 341.252 4.848 50 0 EJAARO Clc1ccc(Cn2c[n+](CCc3ccccc3)c3ccccc32)cc1 ZINC000252490683 564053461 /nfs/dbraw/zinc/05/34/61/564053461.db2.gz KZAONKZSTJPNTF-UHFFFAOYSA-N 1 0 347.869 4.873 50 0 EJAARO C[N@@H+]1CCC[C@@H](O[C@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000252490103 564053462 /nfs/dbraw/zinc/05/34/62/564053462.db2.gz KJDWUCZKWFAWFB-UTKZUKDTSA-N 1 0 339.504 4.883 50 0 EJAARO Cc1nnc(-c2cccc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)c2)o1 ZINC000534590225 564061213 /nfs/dbraw/zinc/06/12/13/564061213.db2.gz CVYCBMUNMLVVLE-OAHLLOKOSA-N 1 0 333.435 4.869 50 0 EJAARO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000084070290 564066118 /nfs/dbraw/zinc/06/61/18/564066118.db2.gz RPHWWOWWZLDZEY-XLIONFOSSA-N 1 0 344.458 4.656 50 0 EJAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1OC ZINC000015836857 564076451 /nfs/dbraw/zinc/07/64/51/564076451.db2.gz UDQMGWVCNRRCPV-IBGZPJMESA-N 1 0 325.452 4.739 50 0 EJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)cc1 ZINC000015836989 564076472 /nfs/dbraw/zinc/07/64/72/564076472.db2.gz NSWQKOSXGMRGDI-NRFANRHFSA-N 1 0 325.452 4.820 50 0 EJAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1OCC ZINC000015837430 564076520 /nfs/dbraw/zinc/07/65/20/564076520.db2.gz UXUURPNKPKQVAL-IBGZPJMESA-N 1 0 343.442 4.960 50 0 EJAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008700891 564087242 /nfs/dbraw/zinc/08/72/42/564087242.db2.gz JVDZOIGKKMCEHM-UHFFFAOYSA-N 1 0 326.827 4.534 50 0 EJAARO C[C@H](CC[N@@H+]1CCN2CCC[C@@H]2[C@H]1C1CCCCC1)c1ccccc1 ZINC000239306251 564088045 /nfs/dbraw/zinc/08/80/45/564088045.db2.gz GPUZEMUACDCDIM-UEVCKROQSA-N 1 0 340.555 4.909 50 0 EJAARO 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 564088078 /nfs/dbraw/zinc/08/80/78/564088078.db2.gz KUFAUZJRIITNBN-RXGLGVBBSA-N 1 0 333.560 4.758 50 0 EJAARO Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2[nH+]1 ZINC000089583130 564092949 /nfs/dbraw/zinc/09/29/49/564092949.db2.gz MPROOBHSBJVVIX-HXUWFJFHSA-N 1 0 335.451 4.775 50 0 EJAARO C[C@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000006744165 564096844 /nfs/dbraw/zinc/09/68/44/564096844.db2.gz KHTUVFPJQCSGIT-RTWAWAEBSA-N 1 0 343.898 4.817 50 0 EJAARO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000065448558 564106034 /nfs/dbraw/zinc/10/60/34/564106034.db2.gz HULCOLKOTPWQNK-QAPCUYQASA-N 1 0 326.440 4.505 50 0 EJAARO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606863 564109593 /nfs/dbraw/zinc/10/95/93/564109593.db2.gz RDXJWDYYYVGSKU-AOMKIAJQSA-N 1 0 347.437 4.866 50 0 EJAARO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000007538568 564109936 /nfs/dbraw/zinc/10/99/36/564109936.db2.gz QUXMBCQIXLQECP-CHWSQXEVSA-N 1 0 326.827 4.743 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000013325216 564111525 /nfs/dbraw/zinc/11/15/25/564111525.db2.gz ZLVGGCFNWFSVGA-UHFFFAOYSA-N 1 0 347.821 4.719 50 0 EJAARO FC(F)(F)c1cc(NCCC[NH+]2CCCCC2)c2ccccc2n1 ZINC000089866642 564114427 /nfs/dbraw/zinc/11/44/27/564114427.db2.gz JLPKEXSSFUSBHW-UHFFFAOYSA-N 1 0 337.389 4.542 50 0 EJAARO Clc1ccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000017250201 564116798 /nfs/dbraw/zinc/11/67/98/564116798.db2.gz HVNOCEVIGOWRIO-UHFFFAOYSA-N 1 0 344.265 4.744 50 0 EJAARO C[C@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2Br)C1 ZINC000002823662 564117032 /nfs/dbraw/zinc/11/70/32/564117032.db2.gz XXNKKQHOPHTSDT-LBPRGKRZSA-N 1 0 346.696 4.603 50 0 EJAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(C(C)C)CCO1 ZINC000002111060 564118066 /nfs/dbraw/zinc/11/80/66/564118066.db2.gz IQRLISDRZDPFHJ-NHCUHLMSSA-N 1 0 333.516 4.796 50 0 biogenic EJAARO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 ZINC000027222710 564119318 /nfs/dbraw/zinc/11/93/18/564119318.db2.gz UCVNIRADDIMHBM-QFIPXVFZSA-N 1 0 345.490 4.715 50 0 EJAARO COc1ccc(C[NH2+]CC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000002157200 564119539 /nfs/dbraw/zinc/11/95/39/564119539.db2.gz FGCOYXVIXSZYRW-ICSRJNTNSA-N 1 0 333.516 4.652 50 0 biogenic EJAARO c1coc([C@H](CNc2nsc3ccccc32)[NH+]2CCCCC2)c1 ZINC000007778863 564123069 /nfs/dbraw/zinc/12/30/69/564123069.db2.gz QAQVTPKEMVYMMP-HNNXBMFYSA-N 1 0 327.453 4.528 50 0 EJAARO CC1(C)C[C@H]([NH2+]CCc2cccc3cccnc32)c2ccccc2O1 ZINC000095967248 564143014 /nfs/dbraw/zinc/14/30/14/564143014.db2.gz QOVAVUUEDJBWFM-IBGZPJMESA-N 1 0 332.447 4.669 50 0 EJAARO C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)c1ccc([S@](C)=O)cc1 ZINC000095967221 564143015 /nfs/dbraw/zinc/14/30/15/564143015.db2.gz DVLREDXKWJKQDJ-BXKMTCNYSA-N 1 0 341.520 4.587 50 0 EJAARO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)c3cnc(C)nc3C)oc21 ZINC000095967183 564143017 /nfs/dbraw/zinc/14/30/17/564143017.db2.gz XYZVXJZMLQFPEP-OCCSQVGLSA-N 1 0 339.439 4.650 50 0 EJAARO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)c1ccc([S@](C)=O)cc1 ZINC000095967222 564143040 /nfs/dbraw/zinc/14/30/40/564143040.db2.gz DVLREDXKWJKQDJ-MZNJEOGPSA-N 1 0 341.520 4.587 50 0 EJAARO COc1cc([C@@H](C)[NH2+]Cc2ncccc2C)ccc1SC(F)F ZINC000095967777 564143076 /nfs/dbraw/zinc/14/30/76/564143076.db2.gz OTXYRKGTJFFCOP-GFCCVEGCSA-N 1 0 338.423 4.564 50 0 EJAARO CC(C)[N@H+](CC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000096027610 564145009 /nfs/dbraw/zinc/14/50/09/564145009.db2.gz IOXAIRGWPZCKBY-UHFFFAOYSA-N 1 0 331.459 4.862 50 0 EJAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)cc1NC(C)=O ZINC000096476498 564148406 /nfs/dbraw/zinc/14/84/06/564148406.db2.gz GNXZAMQTLRWCFV-OLZOCXBDSA-N 1 0 346.496 4.744 50 0 EJAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000057315513 564153608 /nfs/dbraw/zinc/15/36/08/564153608.db2.gz MEECJANBIBTQKO-JKSUJKDBSA-N 1 0 348.446 4.526 50 0 EJAARO Cc1nc2ccccc2nc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057383071 564153889 /nfs/dbraw/zinc/15/38/89/564153889.db2.gz BNLGOXGNVQPWCK-UHFFFAOYSA-N 1 0 345.368 4.589 50 0 EJAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1cccs1)c1ccccc1 ZINC000032093802 564160681 /nfs/dbraw/zinc/16/06/81/564160681.db2.gz PHVYRZUFYKXMPO-RXVVDRJESA-N 1 0 343.536 4.991 50 0 EJAARO O[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000004311722 564161628 /nfs/dbraw/zinc/16/16/28/564161628.db2.gz JFAWEJBCVBGKNT-UXHICEINSA-N 1 0 329.871 4.991 50 0 EJAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(OCCC)cc2c1=O ZINC000008717131 564166760 /nfs/dbraw/zinc/16/67/60/564166760.db2.gz KAEOAHUUUMYENL-UHFFFAOYSA-N 1 0 330.472 4.660 50 0 EJAARO CCCCc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717216 564166765 /nfs/dbraw/zinc/16/67/65/564166765.db2.gz CJSVSYJFVMRQGC-HNNXBMFYSA-N 1 0 326.484 4.823 50 0 EJAARO CCCCc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008717946 564166829 /nfs/dbraw/zinc/16/68/29/564166829.db2.gz BCIDWGZQVFWKKW-UHFFFAOYSA-N 1 0 326.484 4.823 50 0 EJAARO C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1cccc2ccccc21 ZINC000071857912 564176088 /nfs/dbraw/zinc/17/60/88/564176088.db2.gz PDISLSVNNDHLII-HNNXBMFYSA-N 1 0 328.415 4.532 50 0 EJAARO FC(F)(F)c1cccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000055211413 214288059 /nfs/dbraw/zinc/28/80/59/214288059.db2.gz XFMJWEIWAAWRJQ-SFHVURJKSA-N 1 0 328.337 4.689 50 0 EJAARO COc1cccc(-c2c[nH+]c(NCc3c(F)cccc3Cl)n2C)c1 ZINC000004678420 210245229 /nfs/dbraw/zinc/24/52/29/210245229.db2.gz AIHYAKKQMXGVCF-UHFFFAOYSA-N 1 0 345.805 4.500 50 0 EJAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000056851988 214391530 /nfs/dbraw/zinc/39/15/30/214391530.db2.gz LEASASBMIQNXAC-HZPDHXFCSA-N 1 0 348.446 4.526 50 0 EJAARO CCOc1ccccc1CNc1[nH+]cc(-c2ccc(C)c(C)c2)n1C ZINC000004679071 210244719 /nfs/dbraw/zinc/24/47/19/210244719.db2.gz VVDBHCCPOKWZRD-UHFFFAOYSA-N 1 0 335.451 4.715 50 0 EJAARO C[NH+]1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000004128618 210127235 /nfs/dbraw/zinc/12/72/35/210127235.db2.gz SMAVQOQAFDCUIZ-UHFFFAOYSA-N 1 0 342.280 4.977 50 0 EJAARO CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@H](C)C1 ZINC000004026386 210103280 /nfs/dbraw/zinc/10/32/80/210103280.db2.gz XIHJFMFAIYGPCL-RYFAJOAYSA-N 1 0 347.543 4.933 50 0 biogenic EJAARO CCC(CC)C[NH2+]CCc1c(C)[nH]c2ccc(OC(F)(F)F)cc21 ZINC000003623255 210068640 /nfs/dbraw/zinc/06/86/40/210068640.db2.gz PZRWNCGMCSFKKU-UHFFFAOYSA-N 1 0 342.405 4.943 50 0 EJAARO CCOc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000044124733 213608838 /nfs/dbraw/zinc/60/88/38/213608838.db2.gz VSQPBOQZBTWANL-RBUKOAKNSA-N 1 0 325.452 4.565 50 0 EJAARO FCCC[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067491186 215154198 /nfs/dbraw/zinc/15/41/98/215154198.db2.gz GLOSDOSGDPTKSL-UHFFFAOYSA-N 1 0 336.410 4.726 50 0 EJAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1cccc2cnccc21 ZINC000067726919 215195947 /nfs/dbraw/zinc/19/59/47/215195947.db2.gz ASUFTZYKBSBDOQ-UHFFFAOYSA-N 1 0 334.419 4.632 50 0 EJAARO C[NH+](C)CCC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000001892067 209804293 /nfs/dbraw/zinc/80/42/93/209804293.db2.gz AXNJKVXDLMYBNG-RELWKKBWSA-N 1 0 340.854 4.606 50 0 EJAARO C[N@H+](Cc1ccccc1NC(=O)c1ccccc1F)C1CCCCC1 ZINC000039969206 213247029 /nfs/dbraw/zinc/24/70/29/213247029.db2.gz GUQCGELWBSLNKF-UHFFFAOYSA-N 1 0 340.442 4.843 50 0 EJAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000039400593 213236862 /nfs/dbraw/zinc/23/68/62/213236862.db2.gz ZSGQDDJDISZTLL-FQEVSTJZSA-N 1 0 331.463 4.765 50 0 EJAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039408730 213236948 /nfs/dbraw/zinc/23/69/48/213236948.db2.gz VHWZMUZKFCGALN-UXHICEINSA-N 1 0 332.919 4.569 50 0 EJAARO Cc1cnc(NC(=O)c2ccc([C@H]3CCC[N@H+]3CC(C)C)s2)s1 ZINC000023379607 202102429 /nfs/dbraw/zinc/10/24/29/202102429.db2.gz TYAFQDLNKKJACB-CYBMUJFWSA-N 1 0 349.525 4.558 50 0 EJAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000035511232 213034780 /nfs/dbraw/zinc/03/47/80/213034780.db2.gz HHHNBYOEYGWGLP-OAQYLSRUSA-N 1 0 348.446 4.899 50 0 EJAARO Oc1ccc([C@H]2[NH2+]C[C@H](c3cccs3)c3c4ccccc4[nH]c32)cc1 ZINC000032666110 202229813 /nfs/dbraw/zinc/22/98/13/202229813.db2.gz VRGSDOREZIQCQX-OXQOHEQNSA-N 1 0 346.455 4.760 50 0 EJAARO Cn1c2ccccc2c([C@@H](C[NH3+])c2ccccc2)c1-c1ccccc1 ZINC000032928677 212875082 /nfs/dbraw/zinc/87/50/82/212875082.db2.gz BGDWZIGPBIVRST-FQEVSTJZSA-N 1 0 326.443 4.936 50 0 EJAARO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1Br ZINC000037105974 213133481 /nfs/dbraw/zinc/13/34/81/213133481.db2.gz DHYHUZYNEYWXPK-NWDGAFQWSA-N 1 0 338.245 4.771 50 0 EJAARO FC(F)(F)c1cc(NCC[C@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000000068073 209398909 /nfs/dbraw/zinc/39/89/09/209398909.db2.gz UMLGDRGOZSHCMY-GFCCVEGCSA-N 1 0 340.311 4.668 50 0 EJAARO Cc1cccc(SC2CC[NH+](Cc3ccnc(C(C)C)n3)CC2)c1 ZINC000072474047 216251997 /nfs/dbraw/zinc/25/19/97/216251997.db2.gz NLRVOBUZYIWADJ-UHFFFAOYSA-N 1 0 341.524 4.665 50 0 EJAARO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)no1 ZINC000225734945 242010765 /nfs/dbraw/zinc/01/07/65/242010765.db2.gz XBEFWICBYROOJF-AVGNSLFASA-N 1 0 326.362 4.845 50 0 EJAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000020908310 212185432 /nfs/dbraw/zinc/18/54/32/212185432.db2.gz WHNVCDLOMYGKLI-LJQANCHMSA-N 1 0 349.453 4.904 50 0 EJAARO CCC[C@@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868913 212179587 /nfs/dbraw/zinc/17/95/87/212179587.db2.gz ZPGXQPDUMYGAJT-DHIUTWEWSA-N 1 0 337.507 4.862 50 0 EJAARO CCc1ccc([C@@](O)(CC)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000020868889 212179756 /nfs/dbraw/zinc/17/97/56/212179756.db2.gz YHMXGSALRPNXOL-PKTZIBPZSA-N 1 0 337.507 4.726 50 0 EJAARO Oc1cccc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c1 ZINC000071715283 203104935 /nfs/dbraw/zinc/10/49/35/203104935.db2.gz GCYCYAPRMBUXMA-MRXNPFEDSA-N 1 0 331.406 4.515 50 0 EJAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](C)c1ccccc1 ZINC000071839158 203124320 /nfs/dbraw/zinc/12/43/20/203124320.db2.gz VJYVHIVLPJWYLN-HNNXBMFYSA-N 1 0 337.442 4.522 50 0 EJAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C(C)(C)C)CC(C)C ZINC000071900966 203143685 /nfs/dbraw/zinc/14/36/85/203143685.db2.gz NXOQXGQHCFTKCJ-QGZVFWFLSA-N 1 0 347.547 4.862 50 0 EJAARO CCc1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019842363 212075110 /nfs/dbraw/zinc/07/51/10/212075110.db2.gz BOYFUZNMKCIDKF-UHFFFAOYSA-N 1 0 344.502 4.720 50 0 EJAARO CCc1cccc(C)c1NC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000048303250 204345227 /nfs/dbraw/zinc/34/52/27/204345227.db2.gz KHLFZFLPIOSWST-IBGZPJMESA-N 1 0 345.531 4.580 50 0 EJAARO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c(C)n1 ZINC000155770475 206032885 /nfs/dbraw/zinc/03/28/85/206032885.db2.gz PXFNPVVCCPEEIL-CABCVRRESA-N 1 0 332.451 4.567 50 0 EJAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]Cc1ccoc1 ZINC000012314747 211343473 /nfs/dbraw/zinc/34/34/73/211343473.db2.gz XKNKQPNSLOWIGH-SFHVURJKSA-N 1 0 335.451 4.577 50 0 EJAARO CC(C)CC[N@@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012242242 211330661 /nfs/dbraw/zinc/33/06/61/211330661.db2.gz FHWNZUNVFPJRJQ-AWEZNQCLSA-N 1 0 333.426 4.580 50 0 EJAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000011789519 211248334 /nfs/dbraw/zinc/24/83/34/211248334.db2.gz HVRMITWRRAIONW-UHFFFAOYSA-N 1 0 349.453 4.638 50 0 EJAARO Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 ZINC000010351440 211167465 /nfs/dbraw/zinc/16/74/65/211167465.db2.gz CSZYKZMDYFNJRB-QRWLVFNGSA-N 1 0 340.442 4.510 50 0 EJAARO CCCC[NH2+]Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000009943174 211134067 /nfs/dbraw/zinc/13/40/67/211134067.db2.gz GPUVFHIJLIBRRR-UHFFFAOYSA-N 1 0 342.508 4.769 50 0 EJAARO Cc1cc(-n2c(C)cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)c2C)no1 ZINC000009366323 211076294 /nfs/dbraw/zinc/07/62/94/211076294.db2.gz WMTOCMHLYAHUEM-CYBMUJFWSA-N 1 0 345.393 4.520 50 0 EJAARO Cc1cccc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000095347333 218282931 /nfs/dbraw/zinc/28/29/31/218282931.db2.gz NGEDRGOUMHEPQS-UHFFFAOYSA-N 1 0 345.490 4.823 50 0 EJAARO C[C@@H](C1CCN(c2ccc3cccc(Cl)c3n2)CC1)[NH+]1CCCC1 ZINC000095362012 218294293 /nfs/dbraw/zinc/29/42/93/218294293.db2.gz VZYGSOQPCDFUDV-HNNXBMFYSA-N 1 0 343.902 4.589 50 0 EJAARO C[C@@H](c1ccccn1)[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000095369317 218302001 /nfs/dbraw/zinc/30/20/01/218302001.db2.gz KGQMQRNMKKYVHB-ZDUSSCGKSA-N 1 0 331.257 4.570 50 0 EJAARO C/C=C/c1ccc(OCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000004914984 210322808 /nfs/dbraw/zinc/32/28/08/210322808.db2.gz XJPDXOUEONEOAM-ZGCXVMDJSA-N 1 0 331.500 4.865 50 0 EJAARO CCOc1ccc(C(c2ccc(OCC)cc2)C2CC[NH2+]CC2)cc1 ZINC000004776315 210275497 /nfs/dbraw/zinc/27/54/97/210275497.db2.gz SLBWETXQSUZRES-UHFFFAOYSA-N 1 0 339.479 4.616 50 0 EJAARO Brc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004749408 210268761 /nfs/dbraw/zinc/26/87/61/210268761.db2.gz VXIOFCHPJMUMDU-UHFFFAOYSA-N 1 0 345.284 4.526 50 0 EJAARO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 ZINC000028352270 257855524 /nfs/dbraw/zinc/85/55/24/257855524.db2.gz UQZJTEIEXIRSBI-LSDHHAIUSA-N 1 0 336.410 4.657 50 0 EJAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000055292146 132194767 /nfs/dbraw/zinc/19/47/67/132194767.db2.gz NNRYVNLLUDOHTB-UHFFFAOYSA-N 1 0 330.475 4.779 50 0 EJAARO Clc1ccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000055543868 132196280 /nfs/dbraw/zinc/19/62/80/132196280.db2.gz MFGOLLWMPXADCI-UHFFFAOYSA-N 1 0 336.866 4.815 50 0 EJAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000252427613 526946438 /nfs/dbraw/zinc/94/64/38/526946438.db2.gz VHWZMUZKFCGALN-VQTJNVASSA-N 1 0 332.919 4.569 50 0 EJAARO CC[C@@H](C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770387 563924831 /nfs/dbraw/zinc/92/48/31/563924831.db2.gz FMEVYXJNSPYRRN-UKRRQHHQSA-N 1 0 340.305 4.874 50 0 EJAARO CC(C)(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770554 563924849 /nfs/dbraw/zinc/92/48/49/563924849.db2.gz WTZRUXPOGWNLML-CYBMUJFWSA-N 1 0 340.305 4.515 50 0 EJAARO CC[C@@H](C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770379 563924862 /nfs/dbraw/zinc/92/48/62/563924862.db2.gz FMEVYXJNSPYRRN-HIFRSBDPSA-N 1 0 340.305 4.874 50 0 EJAARO CCCC[NH+](CCCC)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003180196 564155705 /nfs/dbraw/zinc/15/57/05/564155705.db2.gz PVYKUYUCYWQSFO-UHFFFAOYSA-N 1 0 330.394 4.546 50 0 EJAARO C[n+]1c(-c2ccc(Br)cc2)csc1Cc1ccccc1 ZINC000003200638 564155937 /nfs/dbraw/zinc/15/59/37/564155937.db2.gz SFTXOWJEPMHRGB-UHFFFAOYSA-N 1 0 345.285 4.593 50 0 EJAARO Brc1ccc2c(ccc[n+]2C/C=C/c2ccccc2)c1 ZINC000000254762 563267244 /nfs/dbraw/zinc/26/72/44/563267244.db2.gz OSSUNMRRHZHVRT-XBXARRHUSA-N 1 0 325.229 4.603 50 0 EJAARO COc1ccc2c(c1)[C@@H](C1CC[NH+](C)CC1)Oc1ccccc1S2 ZINC000000347653 563288343 /nfs/dbraw/zinc/28/83/43/563288343.db2.gz AMJLPOOQDHBZPR-HXUWFJFHSA-N 1 0 341.476 4.622 50 0 EJAARO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000034878954 563362337 /nfs/dbraw/zinc/36/23/37/563362337.db2.gz OKINKJRZLKXZEO-KRWDZBQOSA-N 1 0 334.463 4.748 50 0 EJAARO Cc1nn2c(nc(C(C)C)cc2Nc2cc[nH+]cc2)c1-c1ccccc1 ZINC000002353642 563430154 /nfs/dbraw/zinc/43/01/54/563430154.db2.gz BNXRPZIDPGQNMM-UHFFFAOYSA-N 1 0 343.434 4.967 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1Cl ZINC000002514525 563435302 /nfs/dbraw/zinc/43/53/02/563435302.db2.gz RXSHLAAHJUFXTJ-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002514586 563435647 /nfs/dbraw/zinc/43/56/47/563435647.db2.gz NDQJXLNZTMBMRX-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002514920 563435869 /nfs/dbraw/zinc/43/58/69/563435869.db2.gz LZWBVIQGFJBZSV-UHFFFAOYSA-N 1 0 332.230 4.596 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000002515078 563435890 /nfs/dbraw/zinc/43/58/90/563435890.db2.gz JYMDFNYHCNJADX-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO CSc1ccc(C(=O)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000002515501 563436669 /nfs/dbraw/zinc/43/66/69/563436669.db2.gz HMIYPPGLPDDAMD-UHFFFAOYSA-N 1 0 325.477 4.625 50 0 EJAARO O=C(c1cc(F)cc(Cl)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515524 563436753 /nfs/dbraw/zinc/43/67/53/563436753.db2.gz PCJRZCVYBQHYIT-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515583 563437113 /nfs/dbraw/zinc/43/71/13/563437113.db2.gz NZLISMODMBDZBN-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO CCC[NH+](CCC)C[C@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 ZINC000003068318 563471045 /nfs/dbraw/zinc/47/10/45/563471045.db2.gz YTAMEPAICSZHEE-FGZHOGPDSA-N 1 0 341.495 4.634 50 0 EJAARO Clc1ccc(COc2ccc(C[NH2+]Cc3cccnc3)cc2)cc1 ZINC000004675713 563507770 /nfs/dbraw/zinc/50/77/70/563507770.db2.gz MBXWYHOMOHIJHV-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]Cc3ccncc3)o2)c1 ZINC000007365276 563600117 /nfs/dbraw/zinc/60/01/17/563600117.db2.gz BQQNRPLFAWAULD-UHFFFAOYSA-N 1 0 333.218 4.938 50 0 EJAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008581774 563649241 /nfs/dbraw/zinc/64/92/41/563649241.db2.gz UREBODTZKLAKPE-UHFFFAOYSA-N 1 0 334.463 4.888 50 0 EJAARO COc1ccccc1-c1nc2ccc(C)cc2cc1C[NH2+]CC(C)C ZINC000012245750 563656872 /nfs/dbraw/zinc/65/68/72/563656872.db2.gz JSQIGOHRIPVXET-UHFFFAOYSA-N 1 0 334.463 4.964 50 0 EJAARO C[C@@H]([NH2+]Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012792856 563672030 /nfs/dbraw/zinc/67/20/30/563672030.db2.gz WLAVANZANPOHMW-QGZVFWFLSA-N 1 0 346.430 4.596 50 0 EJAARO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000012806666 563674519 /nfs/dbraw/zinc/67/45/19/563674519.db2.gz LOCSQFVTNWLUJX-SFHVURJKSA-N 1 0 346.474 4.916 50 0 EJAARO c1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)cs1 ZINC000032740434 563721098 /nfs/dbraw/zinc/72/10/98/563721098.db2.gz DBMVUSSRZZXIAZ-UHFFFAOYSA-N 1 0 345.471 4.891 50 0 EJAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH2+]C(C)C)cc1 ZINC000013801914 563724020 /nfs/dbraw/zinc/72/40/20/563724020.db2.gz UNIJHHDFTVSVEH-UHFFFAOYSA-N 1 0 346.478 4.653 50 0 EJAARO CCOc1ccccc1-c1nc(C[N@H+](C)C(C2CC2)C2CC2)c(C)o1 ZINC000014948511 563767467 /nfs/dbraw/zinc/76/74/67/563767467.db2.gz DVZNLKPKKFEYAS-UHFFFAOYSA-N 1 0 340.467 4.669 50 0 EJAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000014980555 563769979 /nfs/dbraw/zinc/76/99/79/563769979.db2.gz GWTHKUPYTCJEFB-OAHLLOKOSA-N 1 0 345.533 4.873 50 0 EJAARO O=C(c1ccccc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000015831546 563793397 /nfs/dbraw/zinc/79/33/97/563793397.db2.gz BSESPURWKYSJPK-QGZVFWFLSA-N 1 0 348.918 4.601 50 0 EJAARO COC(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087058 563914822 /nfs/dbraw/zinc/91/48/22/563914822.db2.gz PKOJGKBOPJFURY-QGZVFWFLSA-N 1 0 329.465 4.652 50 0 EJAARO CC1(C)Cc2[nH+]c3ccccc3c(NCc3ccccc3)c2[C@H](O)C1 ZINC000000190492 563917020 /nfs/dbraw/zinc/91/70/20/563917020.db2.gz SZXBXNVDYMXTKW-LJQANCHMSA-N 1 0 332.447 4.853 50 0 EJAARO CC1(C)C[C@@H](C[NH2+]CC[C@H](c2ccco2)c2ccccc2)CCO1 ZINC000002139698 563917926 /nfs/dbraw/zinc/91/79/26/563917926.db2.gz YLIFUTNQCPIQQY-HKUYNNGSSA-N 1 0 327.468 4.596 50 0 biogenic EJAARO c1ccc(-c2ccc(CN3CCC([NH+]4CCCCC4)CC3)cc2)cc1 ZINC000002497398 563917975 /nfs/dbraw/zinc/91/79/75/563917975.db2.gz FPUWJBYHYRFGPG-UHFFFAOYSA-N 1 0 334.507 4.804 50 0 EJAARO c1ccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000022455483 563918503 /nfs/dbraw/zinc/91/85/03/563918503.db2.gz PXUHRDCBWROCBL-UHFFFAOYSA-N 1 0 334.507 4.531 50 0 EJAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000004982693 563919053 /nfs/dbraw/zinc/91/90/53/563919053.db2.gz NAHNPQKHHDCWMN-OAQYLSRUSA-N 1 0 332.447 4.971 50 0 EJAARO Clc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000253489407 563919854 /nfs/dbraw/zinc/91/98/54/563919854.db2.gz FDDGVKWNNYKGKF-VQTJNVASSA-N 1 0 332.919 4.569 50 0 EJAARO CC(C)(c1ccccc1)c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775453 563925022 /nfs/dbraw/zinc/92/50/22/563925022.db2.gz LULBUCASOKOKEL-KRWDZBQOSA-N 1 0 329.871 4.797 50 0 EJAARO CC(C)(c1ccccc1)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775449 563925045 /nfs/dbraw/zinc/92/50/45/563925045.db2.gz LULBUCASOKOKEL-QGZVFWFLSA-N 1 0 329.871 4.797 50 0 EJAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000058081597 563937155 /nfs/dbraw/zinc/93/71/55/563937155.db2.gz IYFDIFYDLBZXOO-QGZVFWFLSA-N 1 0 338.476 4.919 50 0 EJAARO Cc1ccc2c(C[N@H+]3CC=C(c4ccccc4)CC3)cc(=O)oc2c1C ZINC000058158767 563938169 /nfs/dbraw/zinc/93/81/69/563938169.db2.gz MRMOXRHPRLBWFV-UHFFFAOYSA-N 1 0 345.442 4.699 50 0 EJAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000058167885 563938860 /nfs/dbraw/zinc/93/88/60/563938860.db2.gz RSINPSFOFTUPCI-QGZVFWFLSA-N 1 0 344.524 4.656 50 0 EJAARO [NH3+]CCCn1cnc(-c2ccccc2)c1-c1cccc(Cl)c1Cl ZINC000065417741 563960552 /nfs/dbraw/zinc/96/05/52/563960552.db2.gz GQFRYZXBVLGYCT-UHFFFAOYSA-N 1 0 346.261 4.873 50 0 EJAARO CC(C)c1ccc(-c2cc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)ccn2)cc1 ZINC000065429842 563960851 /nfs/dbraw/zinc/96/08/51/563960851.db2.gz PUQAPAPDTOLPHA-FQEVSTJZSA-N 1 0 346.478 4.585 50 0 EJAARO COc1ccc(Oc2nc3ccccc3cc2C)cc1C[NH+]1CCCC1 ZINC000067773855 563962699 /nfs/dbraw/zinc/96/26/99/563962699.db2.gz XXEKRJTUWCHZDA-UHFFFAOYSA-N 1 0 348.446 4.940 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1Cl ZINC000006698719 563963324 /nfs/dbraw/zinc/96/33/24/563963324.db2.gz RBQIWTYBWREVRD-UHFFFAOYSA-N 1 0 346.833 4.717 50 0 EJAARO CCOc1ccc(-c2c[nH+]c(NCc3ccccc3Cl)n2C)cc1 ZINC000004678784 563963860 /nfs/dbraw/zinc/96/38/60/563963860.db2.gz UQXFNZJXYVZXLT-UHFFFAOYSA-N 1 0 341.842 4.751 50 0 EJAARO Cc1nnc(-c2ccc(-c3ccc([C@@H](C)[NH+]4CCCC4)cc3)cc2)o1 ZINC000096150785 563979638 /nfs/dbraw/zinc/97/96/38/563979638.db2.gz BHUBJMAKFPHXLA-OAHLLOKOSA-N 1 0 333.435 4.869 50 0 EJAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(C(=O)N(C)C)cc3)c2c1 ZINC000000288009 563990227 /nfs/dbraw/zinc/99/02/27/563990227.db2.gz KTVKPQKBBSCNPR-UHFFFAOYSA-N 1 0 333.435 4.605 50 0 EJAARO Cc1nc(CN[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)co1 ZINC000408524037 563993277 /nfs/dbraw/zinc/99/32/77/563993277.db2.gz PQJRXZLSIREADI-JTQLQIEISA-N 1 0 347.871 4.919 50 0 EJAARO C[C@@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1 ZINC000005350370 564003031 /nfs/dbraw/zinc/00/30/31/564003031.db2.gz JARGVZLPOWSQTB-UWJYYQICSA-N 1 0 327.468 4.675 50 0 EJAARO Clc1ccc(C[N@@H+]2CCC[C@@H](COCc3ccccc3)C2)cc1 ZINC000062161892 564003647 /nfs/dbraw/zinc/00/36/47/564003647.db2.gz JJCXOIKXBNSVTC-LJQANCHMSA-N 1 0 329.871 4.769 50 0 EJAARO COc1ccc(-c2c[n+]3c4n2CCCCC4=C(c2ccccc2)C3)cc1 ZINC000005576436 564005801 /nfs/dbraw/zinc/00/58/01/564005801.db2.gz LLBKCVSVBOBBNG-UHFFFAOYSA-N 1 0 343.450 4.560 50 0 EJAARO CCCCc1ccc([C@@H]([NH2+]Cc2cnn(C)c2)c2cccs2)cc1 ZINC000048314523 564030861 /nfs/dbraw/zinc/03/08/61/564030861.db2.gz ZZWNAQIUBLVIJB-HXUWFJFHSA-N 1 0 339.508 4.703 50 0 EJAARO Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccsc3)cc(=O)oc2c1 ZINC000048367589 564031565 /nfs/dbraw/zinc/03/15/65/564031565.db2.gz PUJUDTUTWQJWRK-KRWDZBQOSA-N 1 0 325.433 4.500 50 0 EJAARO CCn1c2ccccc2c(C(=O)C[NH2+]CC(C)C)c1-c1ccccc1 ZINC000005939795 564057145 /nfs/dbraw/zinc/05/71/45/564057145.db2.gz BLWVAAPLZQIZLM-UHFFFAOYSA-N 1 0 334.463 4.757 50 0 EJAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC000001825406 564057967 /nfs/dbraw/zinc/05/79/67/564057967.db2.gz WNFVLBAWTDPPDE-NRFANRHFSA-N 1 0 327.468 4.623 50 0 biogenic EJAARO CC(C)(C)[NH2+]CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000012770197 564068603 /nfs/dbraw/zinc/06/86/03/564068603.db2.gz ITNJQJIJBBNPRD-UHFFFAOYSA-N 1 0 348.899 4.818 50 0 EJAARO C[NH+](C)C1(CNC(=O)Nc2cccc3ccccc32)CCCCCC1 ZINC000012862143 564075723 /nfs/dbraw/zinc/07/57/23/564075723.db2.gz HQZSWGLVZYSCSX-UHFFFAOYSA-N 1 0 339.483 4.616 50 0 EJAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015836996 564076429 /nfs/dbraw/zinc/07/64/29/564076429.db2.gz XYZDAVUBNAJSJR-OAQYLSRUSA-N 1 0 325.452 4.821 50 0 EJAARO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837222 564076500 /nfs/dbraw/zinc/07/65/00/564076500.db2.gz BCTKUZFIWDTAMS-IBGZPJMESA-N 1 0 343.442 4.959 50 0 EJAARO C[N@H+](CCOC(c1ccccc1)c1ccccc1)CCc1ccccc1 ZINC000075260652 564081295 /nfs/dbraw/zinc/08/12/95/564081295.db2.gz LWSAPOIQJSLPOW-UHFFFAOYSA-N 1 0 345.486 4.967 50 0 EJAARO c1ccc2cc(CN3CC[N@@H+]4CCC[C@H]4[C@H]3C3CCCCC3)ccc2c1 ZINC000239310416 564088072 /nfs/dbraw/zinc/08/80/72/564088072.db2.gz IKAFQONNWBCPOP-BJKOFHAPSA-N 1 0 348.534 5.069 50 0 EJAARO CC(C)[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H]1C ZINC000239402511 564088093 /nfs/dbraw/zinc/08/80/93/564088093.db2.gz QTCCWCRPTWVSSV-UDMCKFQASA-N 1 0 337.507 5.074 50 0 EJAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000242324334 564088512 /nfs/dbraw/zinc/08/85/12/564088512.db2.gz ZAFJFOWSYFHMPC-PBHICJAKSA-N 1 0 338.476 4.946 50 0 EJAARO CC(C)[NH+](CCOC(=O)[C@@H](c1cccs1)[C@H]1C=CCCC1)C(C)C ZINC000033639061 564093044 /nfs/dbraw/zinc/09/30/44/564093044.db2.gz QTMYUJVVJGBKNX-PKOBYXMFSA-N 1 0 349.540 4.850 50 0 EJAARO CCOc1ccccc1CNc1[nH+]cc(-c2cccc(Cl)c2)n1C ZINC000006606043 564093106 /nfs/dbraw/zinc/09/31/06/564093106.db2.gz WORXFQXJHPNUDJ-UHFFFAOYSA-N 1 0 341.842 4.751 50 0 EJAARO COc1ccc(Br)cc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000004997084 564093194 /nfs/dbraw/zinc/09/31/94/564093194.db2.gz SZJOBSMKAIURNV-KRWDZBQOSA-N 1 0 346.268 4.625 50 0 EJAARO CC(C)[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cc2ccccc2o1 ZINC000170066026 564105164 /nfs/dbraw/zinc/10/51/64/564105164.db2.gz KPLQFLFKLDPIEF-AOMKIAJQSA-N 1 0 348.446 4.846 50 0 EJAARO CC(C)[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc2ccccc2o1 ZINC000170066017 564105166 /nfs/dbraw/zinc/10/51/66/564105166.db2.gz NNCOLHYHBBWGDB-QFIPXVFZSA-N 1 0 349.478 4.915 50 0 EJAARO CC(C)[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc2ccccc2o1 ZINC000170066019 564105171 /nfs/dbraw/zinc/10/51/71/564105171.db2.gz NNCOLHYHBBWGDB-JOCHJYFZSA-N 1 0 349.478 4.915 50 0 EJAARO Clc1ccc2sc(C3CC[NH+](Cc4ccccn4)CC3)nc2c1 ZINC000008746896 564109841 /nfs/dbraw/zinc/10/98/41/564109841.db2.gz VAOYSZHYOFXTRE-UHFFFAOYSA-N 1 0 343.883 4.724 50 0 EJAARO C[C@@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000007538560 564109940 /nfs/dbraw/zinc/10/99/40/564109940.db2.gz QUXMBCQIXLQECP-OLZOCXBDSA-N 1 0 326.827 4.743 50 0 EJAARO Cc1ccccc1C1(C[NH2+]Cc2ccc3ccccc3c2)CCOCC1 ZINC000071825385 564111285 /nfs/dbraw/zinc/11/12/85/564111285.db2.gz SCYJUNJJAKDKMP-UHFFFAOYSA-N 1 0 345.486 4.986 50 0 EJAARO O=C(Cc1cccc2ccccc21)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000089873226 564114602 /nfs/dbraw/zinc/11/46/02/564114602.db2.gz FQCOGBUBCOOVIO-UHFFFAOYSA-N 1 0 344.458 4.617 50 0 EJAARO CCOc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]2C(C)(C)CC)n1 ZINC000089941990 564115558 /nfs/dbraw/zinc/11/55/58/564115558.db2.gz DKHDYLXUDBXEQY-QGZVFWFLSA-N 1 0 343.471 4.536 50 0 EJAARO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1 ZINC000090044502 564116181 /nfs/dbraw/zinc/11/61/81/564116181.db2.gz FNEOAXMSVRTRRA-CQSZACIVSA-N 1 0 349.459 4.845 50 0 EJAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2CCCC2)cc1 ZINC000017112792 564116436 /nfs/dbraw/zinc/11/64/36/564116436.db2.gz RCHPIPCVAVNFRE-LJQANCHMSA-N 1 0 347.543 4.672 50 0 EJAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)cc2)(C(C)C)CCO1 ZINC000002111059 564118048 /nfs/dbraw/zinc/11/80/48/564118048.db2.gz IQRLISDRZDPFHJ-LEWJYISDSA-N 1 0 333.516 4.796 50 0 biogenic EJAARO c1ccc(C[N@@H+]2CC[C@H]([C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000101359236 564129493 /nfs/dbraw/zinc/12/94/93/564129493.db2.gz BLHARDLNGUCJNB-GMAHTHKFSA-N 1 0 328.459 4.736 50 0 EJAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000002323730 564132306 /nfs/dbraw/zinc/13/23/06/564132306.db2.gz UQAUOPVSUTUMKP-INIZCTEOSA-N 1 0 329.440 4.708 50 0 EJAARO CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)[C@@H](C)C1 ZINC000012656753 564135407 /nfs/dbraw/zinc/13/54/07/564135407.db2.gz XIHJFMFAIYGPCL-WSWWRLHASA-N 1 0 347.543 4.933 50 0 biogenic EJAARO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095420396 564139918 /nfs/dbraw/zinc/13/99/18/564139918.db2.gz KOVGTQYCOJCTMY-KGLIPLIRSA-N 1 0 343.496 4.752 50 0 EJAARO Cc1ccc([C@@H]([NH2+]Cc2cccc3c2OCCCO3)C2CCCC2)o1 ZINC000095462846 564140868 /nfs/dbraw/zinc/14/08/68/564140868.db2.gz LGBCNMMUICBZAQ-FQEVSTJZSA-N 1 0 341.451 4.770 50 0 EJAARO Fc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000095941410 564142061 /nfs/dbraw/zinc/14/20/61/564142061.db2.gz WDOMUAALMGFFED-HZPDHXFCSA-N 1 0 342.439 4.968 50 0 EJAARO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)cn1 ZINC000095962849 564142832 /nfs/dbraw/zinc/14/28/32/564142832.db2.gz WEWNFUXQMYODCN-QWHCGFSZSA-N 1 0 336.277 4.638 50 0 EJAARO C[C@@H](N[C@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 ZINC000095964885 564142888 /nfs/dbraw/zinc/14/28/88/564142888.db2.gz JCDNLUAWUKKVEU-HUUCEWRRSA-N 1 0 330.422 4.977 50 0 EJAARO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000095967169 564143012 /nfs/dbraw/zinc/14/30/12/564143012.db2.gz KRGBXPSUMSLGRE-YWTKSJFSSA-N 1 0 341.520 4.715 50 0 EJAARO CC(C)C[NH+]1CCC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000095967256 564143033 /nfs/dbraw/zinc/14/30/33/564143033.db2.gz VEDUATXGSKWVNV-HXUWFJFHSA-N 1 0 342.527 4.533 50 0 EJAARO Cc1ccccc1Cc1nnc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 ZINC000095995939 564144248 /nfs/dbraw/zinc/14/42/48/564144248.db2.gz HDQQIMLHXLPZFI-ATZDWAIDSA-N 1 0 341.499 4.519 50 0 EJAARO CSc1cccc(N2CC[NH+](CCCCc3ccccc3)CC2)c1 ZINC000096026873 564144970 /nfs/dbraw/zinc/14/49/70/564144970.db2.gz FKHICPUHVJEOML-UHFFFAOYSA-N 1 0 340.536 4.553 50 0 EJAARO CCCC[C@]1(CC[NH2+][C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 ZINC000096116119 564145419 /nfs/dbraw/zinc/14/54/19/564145419.db2.gz QDPMBWGVEAFXML-XLIONFOSSA-N 1 0 325.537 4.689 50 0 biogenic EJAARO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 ZINC000028352275 564151005 /nfs/dbraw/zinc/15/10/05/564151005.db2.gz UQZJTEIEXIRSBI-GJZGRUSLSA-N 1 0 336.410 4.657 50 0 EJAARO CC(C)[NH2+][C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000002642763 564151724 /nfs/dbraw/zinc/15/17/24/564151724.db2.gz SRRYSPSBJMMKMC-INIZCTEOSA-N 1 0 337.250 4.671 50 0 EJAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2c(C)cc(C)cc2C)CC1 ZINC000003060255 564154839 /nfs/dbraw/zinc/15/48/39/564154839.db2.gz FKKUKHGYUXYDED-KRWDZBQOSA-N 1 0 347.572 4.503 50 0 EJAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 ZINC000003476761 564158356 /nfs/dbraw/zinc/15/83/56/564158356.db2.gz AOFYTWRPMZATHC-AOMKIAJQSA-N 1 0 344.458 4.834 50 0 EJAARO CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000003614191 564159223 /nfs/dbraw/zinc/15/92/23/564159223.db2.gz ALDAZNUUXXTOPK-NRFANRHFSA-N 1 0 336.479 4.976 50 0 EJAARO CC1(C)C[C@@H]([NH2+]CCC2(c3ccc(F)cc3)CCCCC2)CCO1 ZINC000032094229 564160720 /nfs/dbraw/zinc/16/07/20/564160720.db2.gz TYSBSAYYKJVMDO-IBGZPJMESA-N 1 0 333.491 4.965 50 0 EJAARO FC(F)(F)c1cccnc1NCC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000670460112 564161029 /nfs/dbraw/zinc/16/10/29/564161029.db2.gz LJORXNOBGXYVTP-HNNXBMFYSA-N 1 0 341.421 4.700 50 0 EJAARO CCOc1ccc(C[N@H+](Cc2ccc3ccccc3n2)C2CC2)cc1 ZINC000055414994 214322625 /nfs/dbraw/zinc/32/26/25/214322625.db2.gz JLAMFHVRDXFEOU-UHFFFAOYSA-N 1 0 332.447 4.798 50 0 EJAARO CC[N@H+](Cc1ccncc1)Cc1cccc(OCc2ccccc2)c1 ZINC000004676838 210245394 /nfs/dbraw/zinc/24/53/94/210245394.db2.gz XPZQUBVSPZDZEM-UHFFFAOYSA-N 1 0 332.447 4.683 50 0 EJAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccc(F)cc1F ZINC000004678460 210245207 /nfs/dbraw/zinc/24/52/07/210245207.db2.gz YKGCQCHIIINOOX-UHFFFAOYSA-N 1 0 333.769 4.631 50 0 EJAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(Cl)c3)n2C)cc1C ZINC000004678747 210244756 /nfs/dbraw/zinc/24/47/56/210244756.db2.gz FHJFQOWDYMQVLP-UHFFFAOYSA-N 1 0 325.843 4.969 50 0 EJAARO c1ccc(C[NH2+]CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000004677215 210244438 /nfs/dbraw/zinc/24/44/38/210244438.db2.gz DXIZNVHVLWVQIJ-OAQYLSRUSA-N 1 0 345.442 4.727 50 0 EJAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(Cl)cc1Cl ZINC000004664858 210241403 /nfs/dbraw/zinc/24/14/03/210241403.db2.gz ZJSORPWYRKFLDQ-JHJVBQTASA-N 1 0 344.282 4.802 50 0 EJAARO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCc1ccc(Cl)cc1)CC2 ZINC000004655748 210238228 /nfs/dbraw/zinc/23/82/28/210238228.db2.gz FYWPHUYGVNYFIB-CQSZACIVSA-N 1 0 345.870 4.519 50 0 EJAARO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C/C=C\c1ccccc1 ZINC000098054002 219074635 /nfs/dbraw/zinc/07/46/35/219074635.db2.gz CUTDCJVLEYUVNJ-RAXLEYEMSA-N 1 0 331.463 4.634 50 0 EJAARO CC1(C)Cc2ccccc2C(=CC2=[NH+]C(C)(C)Cc3ccccc32)N1 ZINC000100098765 219091017 /nfs/dbraw/zinc/09/10/17/219091017.db2.gz YPHNGCITQWHXHK-MOSHPQCFSA-N 1 0 330.475 4.776 50 0 EJAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C(C)(C)C)cc1 ZINC000004333246 210173191 /nfs/dbraw/zinc/17/31/91/210173191.db2.gz UEBRYYCIINWDPW-UHFFFAOYSA-N 1 0 346.478 4.653 50 0 EJAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cccc2ccccc21 ZINC000004122113 210126325 /nfs/dbraw/zinc/12/63/25/210126325.db2.gz NYFQBCCASKQTBR-FQEVSTJZSA-N 1 0 329.443 4.902 50 0 EJAARO Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000013320227 201889871 /nfs/dbraw/zinc/88/98/71/201889871.db2.gz JQAOKMQDUOKXQD-UHFFFAOYSA-N 1 0 341.430 4.764 50 0 EJAARO C[N@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CCCCC1 ZINC000003321376 210006977 /nfs/dbraw/zinc/00/69/77/210006977.db2.gz GTRJYZRGEKKVIK-UHFFFAOYSA-N 1 0 338.451 4.682 50 0 EJAARO CCCOc1ccc(Br)cc1C[NH2+]C1CCCCC1 ZINC000002883064 209936503 /nfs/dbraw/zinc/93/65/03/209936503.db2.gz SPGQBAKVVBPBEM-UHFFFAOYSA-N 1 0 326.278 4.660 50 0 EJAARO C/C=C/C[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067820247 215221412 /nfs/dbraw/zinc/22/14/12/215221412.db2.gz KHZRALOXYUMPIM-NSCUHMNNSA-N 1 0 330.431 4.943 50 0 EJAARO Cc1cc(Br)ccc1OCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002824875 209923868 /nfs/dbraw/zinc/92/38/68/209923868.db2.gz VWMVMSIKIGCBCD-ZIAGYGMSSA-N 1 0 340.305 4.504 50 0 EJAARO COc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccc(F)cc2)cc1 ZINC000002414553 209848992 /nfs/dbraw/zinc/84/89/92/209848992.db2.gz QFSYWFLKAGTKFJ-HXUWFJFHSA-N 1 0 339.410 4.739 50 0 EJAARO C[C@H](c1nc2ccccc2n1Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000039916905 213243247 /nfs/dbraw/zinc/24/32/47/213243247.db2.gz AGOGKTHUGYMEGG-OAHLLOKOSA-N 1 0 339.870 4.895 50 0 EJAARO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769811 213242990 /nfs/dbraw/zinc/24/29/90/213242990.db2.gz MWYKJAWYUDYBMH-YADHBBJMSA-N 1 0 326.528 4.532 50 0 EJAARO FC(F)(F)c1ccccc1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019789243 202020347 /nfs/dbraw/zinc/02/03/47/202020347.db2.gz SKLPSJNAAPCITC-UHFFFAOYSA-N 1 0 340.433 4.546 50 0 EJAARO CC(C)c1cccc(C(C)C)c1OCCCCC[NH+]1CCN(C)CC1 ZINC000019792616 202021359 /nfs/dbraw/zinc/02/13/59/202021359.db2.gz KXQABDHFCFIHPG-UHFFFAOYSA-N 1 0 346.559 4.730 50 0 EJAARO C[N@H+](C[C@H](O)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238107 202100567 /nfs/dbraw/zinc/10/05/67/202100567.db2.gz AZLVFMJMZBMGFL-VXKWHMMOSA-N 1 0 335.422 4.581 50 0 EJAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc3ccccc3o2)cc1 ZINC000024339837 202115218 /nfs/dbraw/zinc/11/52/18/202115218.db2.gz WKIXYSVEHALTBF-IBGZPJMESA-N 1 0 336.435 4.954 50 0 EJAARO CCC(CC)c1cc[n+](Cc2csc(-c3ccc(C)o3)n2)cc1 ZINC000030515890 202195687 /nfs/dbraw/zinc/19/56/87/202195687.db2.gz KDKSHCJVVKJGAR-UHFFFAOYSA-N 1 0 327.473 4.951 50 0 EJAARO Cc1c2ccccc2oc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031621540 202207134 /nfs/dbraw/zinc/20/71/34/202207134.db2.gz BFDDDZBVTNYYOC-UHFFFAOYSA-N 1 0 348.446 4.979 50 0 EJAARO CCOc1ccc(C[NH2+]CCc2c(C)[nH]c3ccc(Cl)cc32)cc1 ZINC000036657761 213108551 /nfs/dbraw/zinc/10/85/51/213108551.db2.gz NNLGFFPNJPLHCP-UHFFFAOYSA-N 1 0 342.870 4.861 50 0 EJAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1c(F)cccc1Cl ZINC000036657757 213108448 /nfs/dbraw/zinc/10/84/48/213108448.db2.gz WJCQNJDKGPDLMZ-UHFFFAOYSA-N 1 0 334.797 4.740 50 0 EJAARO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036104426 213068947 /nfs/dbraw/zinc/06/89/47/213068947.db2.gz PBTGGUPHSKWXQE-DEOSSOPVSA-N 1 0 345.486 4.601 50 0 EJAARO COC(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087059 202249539 /nfs/dbraw/zinc/24/95/39/202249539.db2.gz PKOJGKBOPJFURY-KRWDZBQOSA-N 1 0 329.465 4.652 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)cc2)cc1O ZINC000033087145 202250149 /nfs/dbraw/zinc/25/01/49/202250149.db2.gz QPWSXRYQSRHUAI-IBGZPJMESA-N 1 0 325.452 4.827 50 0 EJAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc(OC)c1 ZINC000033087275 202250218 /nfs/dbraw/zinc/25/02/18/202250218.db2.gz DNWOAMLDSUWNHC-SFHVURJKSA-N 1 0 331.481 4.883 50 0 EJAARO O[C@](CC[NH+]1CCCCC1)(c1ccccc1)c1ccc(C2CC2)cc1 ZINC000033898496 212968751 /nfs/dbraw/zinc/96/87/51/212968751.db2.gz GZUDNCQEOHGFEE-HSZRJFAPSA-N 1 0 335.491 4.676 50 0 EJAARO CC1(C)C[C@H]([NH2+]CCC2(Cc3ccc(F)cc3)CCCC2)CCO1 ZINC000032102279 212789870 /nfs/dbraw/zinc/78/98/70/212789870.db2.gz OXAAQUDKIGIBTQ-LJQANCHMSA-N 1 0 333.491 4.866 50 0 EJAARO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C)c2)c1 ZINC000036348345 202322107 /nfs/dbraw/zinc/32/21/07/202322107.db2.gz DNJPNXAQKSZYBF-QHCPKHFHSA-N 1 0 346.474 4.800 50 0 EJAARO CC(C)=CC[N@@H+]1CCCC12CCN(c1ccc3ncccc3c1)CC2 ZINC000072426143 216216723 /nfs/dbraw/zinc/21/67/23/216216723.db2.gz HJFJUFLHRBCTAO-UHFFFAOYSA-N 1 0 335.495 4.636 50 0 EJAARO C[NH2+]CCC[C@]1(c2ccc(Cl)cc2)OC(C)(C)c2ccccc21 ZINC000005765939 201362429 /nfs/dbraw/zinc/36/24/29/201362429.db2.gz HXEFLJYQNKUXNR-HXUWFJFHSA-N 1 0 329.871 4.849 50 0 EJAARO CSc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc1 ZINC000023129132 212352808 /nfs/dbraw/zinc/35/28/08/212352808.db2.gz MSYAGRBZGGQPLK-KRWDZBQOSA-N 1 0 343.540 4.710 50 0 EJAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc2ccccc21 ZINC000022788089 212324846 /nfs/dbraw/zinc/32/48/46/212324846.db2.gz PIQJOOOTACAFAE-KRWDZBQOSA-N 1 0 327.431 4.876 50 0 EJAARO c1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000215410907 241125871 /nfs/dbraw/zinc/12/58/71/241125871.db2.gz MOZVVQIKFOCBHN-SFHVURJKSA-N 1 0 341.524 4.513 50 0 EJAARO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021720314 212244269 /nfs/dbraw/zinc/24/42/69/212244269.db2.gz OYCAJFUOQZHAEY-IBGZPJMESA-N 1 0 328.456 4.807 50 0 EJAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccc(F)cc1)c1ccco1 ZINC000002407362 201530611 /nfs/dbraw/zinc/53/06/11/201530611.db2.gz QUHRQQMZKRQEOB-LJQANCHMSA-N 1 0 339.410 4.739 50 0 EJAARO CCCCOc1c(Cl)cc(C[NH2+]Cc2ccccc2)cc1OC ZINC000002745781 201542420 /nfs/dbraw/zinc/54/24/20/201542420.db2.gz NQFVNOMPSDHYGE-UHFFFAOYSA-N 1 0 333.859 4.817 50 0 EJAARO O=C(c1ccc(Cl)cc1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170763 212214376 /nfs/dbraw/zinc/21/43/76/212214376.db2.gz AFAOPCUFJGIYBO-IBGZPJMESA-N 1 0 348.918 4.601 50 0 EJAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCc3ccccc32)c(F)c1 ZINC000020601501 212151316 /nfs/dbraw/zinc/15/13/16/212151316.db2.gz PIYOSABKNNLPKB-IBGZPJMESA-N 1 0 339.389 4.522 50 0 EJAARO Cc1ccc(C[n+]2cn(Cc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000252481956 243768685 /nfs/dbraw/zinc/76/86/85/243768685.db2.gz CVYXVFQVPGKTPK-UHFFFAOYSA-N 1 0 347.869 4.987 50 0 EJAARO CCc1cc2c(cc1[C@H](O)C[n+]1ccccc1)C(C)(C)CCC2(C)C ZINC000072334074 203202545 /nfs/dbraw/zinc/20/25/45/203202545.db2.gz WNPFVRKVRMEJPL-OAQYLSRUSA-N 1 0 338.515 4.619 50 0 EJAARO CC(C)CCN1C(=O)c2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020123504 212104532 /nfs/dbraw/zinc/10/45/32/212104532.db2.gz SDCUDEZNTYGSGW-WOUAJJJCSA-N 1 0 328.500 4.601 50 0 EJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)o1 ZINC000019796850 212069136 /nfs/dbraw/zinc/06/91/36/212069136.db2.gz CMAPKYOFFHEYDT-LJQANCHMSA-N 1 0 341.838 4.732 50 0 EJAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC000077524871 203393803 /nfs/dbraw/zinc/39/38/03/203393803.db2.gz WQSZYPXIIBQCEI-HNNXBMFYSA-N 1 0 333.369 4.626 50 0 EJAARO CC[C@@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000019735040 212058690 /nfs/dbraw/zinc/05/86/90/212058690.db2.gz LKCGBGGEGUNEKP-CQSZACIVSA-N 1 0 334.250 4.801 50 0 EJAARO c1ccc(C2CCC(N3CC[NH+](C[C@H]4CC=CCC4)CC3)CC2)cc1 ZINC000019361688 212021682 /nfs/dbraw/zinc/02/16/82/212021682.db2.gz BNMBNFNEQOPLIN-RBKXMNCYSA-N 1 0 338.539 4.687 50 0 EJAARO CC[NH+](CC)Cc1ccccc1CNc1ccnc2ccsc21 ZINC000078903611 217145359 /nfs/dbraw/zinc/14/53/59/217145359.db2.gz GPRPWFFTDREQLD-UHFFFAOYSA-N 1 0 325.481 4.750 50 0 EJAARO CSc1cccc(NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000000227684 206209412 /nfs/dbraw/zinc/20/94/12/206209412.db2.gz PMGDTCMTPZBFOP-UHFFFAOYSA-N 1 0 326.509 4.528 50 0 EJAARO Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013325240 211546570 /nfs/dbraw/zinc/54/65/70/211546570.db2.gz CGGMSLYMTCNAOU-UHFFFAOYSA-N 1 0 343.858 4.888 50 0 EJAARO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 ZINC000089544947 217811157 /nfs/dbraw/zinc/81/11/57/217811157.db2.gz JPUFRYKDVHSEAH-UONOGXRCSA-N 1 0 340.858 4.641 50 0 EJAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc3ccccc32)cc1 ZINC000012728998 211440217 /nfs/dbraw/zinc/44/02/17/211440217.db2.gz WMGKOEZNLHQCOI-UHFFFAOYSA-N 1 0 346.474 4.612 50 0 EJAARO OCC1(CCc2ccccc2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012468734 211389954 /nfs/dbraw/zinc/38/99/54/211389954.db2.gz OZWRNLUDQVRONC-UHFFFAOYSA-N 1 0 343.898 4.547 50 0 EJAARO O=C1CCCCN1c1cccc(C[NH2+]Cc2cccc3ccccc32)c1 ZINC000089873236 217868322 /nfs/dbraw/zinc/86/83/22/217868322.db2.gz UQAAOMHOMYQRDP-UHFFFAOYSA-N 1 0 344.458 4.647 50 0 EJAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000012434311 211380359 /nfs/dbraw/zinc/38/03/59/211380359.db2.gz ABPZFWYSAZFVOZ-GOSISDBHSA-N 1 0 329.403 4.600 50 0 EJAARO Cc1ccccc1C[NH+]1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000012385517 211364991 /nfs/dbraw/zinc/36/49/91/211364991.db2.gz HIBQOHPIJSCWCH-UHFFFAOYSA-N 1 0 336.479 4.626 50 0 EJAARO Cc1c[nH]nc1[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000012242435 211330071 /nfs/dbraw/zinc/33/00/71/211330071.db2.gz YGXZXCJXRORJAI-NRFANRHFSA-N 1 0 345.490 4.730 50 0 EJAARO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCCCC1 ZINC000012112283 211290689 /nfs/dbraw/zinc/29/06/89/211290689.db2.gz JHMAXMLEHXVPAJ-UHFFFAOYSA-N 1 0 339.361 4.520 50 0 EJAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1c(F)cccc1Cl ZINC000010436166 211173020 /nfs/dbraw/zinc/17/30/20/211173020.db2.gz JJCOBXHOHWGEFS-UHFFFAOYSA-N 1 0 337.822 4.565 50 0 EJAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000009377407 211077556 /nfs/dbraw/zinc/07/75/56/211077556.db2.gz AKMXKIOBBUSCTE-VQBCORBOSA-N 1 0 329.509 4.671 50 0 EJAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn21 ZINC000095350757 218284603 /nfs/dbraw/zinc/28/46/03/218284603.db2.gz XMNOPTVIEGMIKN-OXQOHEQNSA-N 1 0 334.467 4.702 50 0 EJAARO CC(C)[C@@H]1C[C@](CC[NH2+]Cc2ccco2)(Cc2ccccc2)CCO1 ZINC000009047506 211034715 /nfs/dbraw/zinc/03/47/15/211034715.db2.gz FTYLBMAHZDXPAM-VXKWHMMOSA-N 1 0 341.495 4.823 50 0 EJAARO Cc1ccc(C)c2c(=O)c(C[NH+](CC(C)C)CC(C)C)c(C)[nH]c12 ZINC000008717473 210989309 /nfs/dbraw/zinc/98/93/09/210989309.db2.gz ZMERSPAJKKMFQD-UHFFFAOYSA-N 1 0 328.500 4.980 50 0 EJAARO Cc1cc([C@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)C(C)C)c(C)s1 ZINC000095409649 218346509 /nfs/dbraw/zinc/34/65/09/218346509.db2.gz QYBANGOGCTVYKS-GCJKJVERSA-N 1 0 335.538 4.589 50 0 EJAARO Cc1ccc(C[NH2+][C@H](C)c2ccc(Oc3cccnc3)c(F)c2)nc1 ZINC000095416690 218355996 /nfs/dbraw/zinc/35/59/96/218355996.db2.gz OPFHXODUGVALLU-OAHLLOKOSA-N 1 0 337.398 4.567 50 0 EJAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 ZINC000095419578 218359835 /nfs/dbraw/zinc/35/98/35/218359835.db2.gz FOVCMWAWYAXQCN-ZHRRBRCNSA-N 1 0 337.463 4.583 50 0 EJAARO C[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2o1 ZINC000095420168 218360906 /nfs/dbraw/zinc/36/09/06/218360906.db2.gz YCUBOJJQZJWKMF-MRXNPFEDSA-N 1 0 331.419 4.528 50 0 EJAARO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000095446808 218391019 /nfs/dbraw/zinc/39/10/19/218391019.db2.gz XFSQLIDUCUYMLK-IBGZPJMESA-N 1 0 341.842 4.973 50 0 EJAARO O=C(C[NH+]1CCCCC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000005043971 210373047 /nfs/dbraw/zinc/37/30/47/210373047.db2.gz OKUDWNOUPOGCKG-MGAZVUHYSA-N 1 0 337.507 4.580 50 0 EJAARO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000245312414 258000450 /nfs/dbraw/zinc/00/04/50/258000450.db2.gz JCBDULRIUOTXOK-RSDPBLMXSA-N 1 0 327.493 4.542 50 0 EJAARO Cc1ccccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000057574452 258061814 /nfs/dbraw/zinc/06/18/14/258061814.db2.gz HRPNJGAIADJNEN-IBGZPJMESA-N 1 0 330.859 4.574 50 0 EJAARO c1ccc(-c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000055542962 132195495 /nfs/dbraw/zinc/19/54/95/132195495.db2.gz XWWQRHJUIYFCLD-UHFFFAOYSA-N 1 0 328.459 4.676 50 0 EJAARO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020444395 135720610 /nfs/dbraw/zinc/72/06/10/135720610.db2.gz YFARKOXLNOAESC-CQSZACIVSA-N 1 0 335.278 4.877 50 0 EJAARO O=[N+]1C(c2ccc(Oc3ccccc3)cc2)=CN(O)[C@@H]2CCCC[C@@H]21 ZINC000169727435 527417421 /nfs/dbraw/zinc/41/74/21/527417421.db2.gz YYQMQAMHCREBFZ-MOPGFXCFSA-N 1 0 337.399 4.572 50 0 EJAARO CCOC(=O)c1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000000122857 563235376 /nfs/dbraw/zinc/23/53/76/563235376.db2.gz TXTSSBJYNYPFCU-UHFFFAOYSA-N 1 0 332.403 4.644 50 0 EJAARO Clc1ccccc1COc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000000359786 563292923 /nfs/dbraw/zinc/29/29/23/563292923.db2.gz LOFGWTPBRXHTFV-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccccc1 ZINC000000360140 563293401 /nfs/dbraw/zinc/29/34/01/563293401.db2.gz IXRNNRSOGMGTEH-UHFFFAOYSA-N 1 0 339.460 4.626 50 0 EJAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1 ZINC000001809902 563413079 /nfs/dbraw/zinc/41/30/79/563413079.db2.gz APRDXPRFHJTFDV-LEWJYISDSA-N 1 0 327.468 4.676 50 0 biogenic EJAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccccc1F)c1ccco1 ZINC000001820870 563413499 /nfs/dbraw/zinc/41/34/99/563413499.db2.gz LPSASRYAMPFRQZ-GOSISDBHSA-N 1 0 339.410 4.739 50 0 EJAARO O=C(c1ccc(F)c(Cl)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515516 563436573 /nfs/dbraw/zinc/43/65/73/563436573.db2.gz HBLVZUUDHSILFZ-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1ccc(Cl)c(F)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515515 563436684 /nfs/dbraw/zinc/43/66/84/563436684.db2.gz MMENGZHREUNMNM-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1cccc(C(F)(F)F)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515574 563437155 /nfs/dbraw/zinc/43/71/55/563437155.db2.gz NUIPAALBGFIBCP-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO Clc1ccc(OCCC[NH+]2CCCCCC2)c(Br)c1 ZINC000002838901 563454297 /nfs/dbraw/zinc/45/42/97/563454297.db2.gz JZZIENDAIORQTL-UHFFFAOYSA-N 1 0 346.696 4.747 50 0 EJAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCC(C)C ZINC000002863731 563457712 /nfs/dbraw/zinc/45/77/12/563457712.db2.gz RYZWVKQXCBSJIL-QGZVFWFLSA-N 1 0 327.468 4.971 50 0 EJAARO COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1OCc1ccccc1 ZINC000004989096 563517882 /nfs/dbraw/zinc/51/78/82/563517882.db2.gz MPWOWXODBGEVGT-KRWDZBQOSA-N 1 0 325.452 4.506 50 0 EJAARO C[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000006260421 563563018 /nfs/dbraw/zinc/56/30/18/563563018.db2.gz BKUWJLSGSGRXBD-YADARESESA-N 1 0 345.486 4.920 50 0 EJAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccncc3)cc2)cc1 ZINC000006709430 563581534 /nfs/dbraw/zinc/58/15/34/563581534.db2.gz BWZOAUPGLKFBLX-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO CCOc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000008254512 563625104 /nfs/dbraw/zinc/62/51/04/563625104.db2.gz QDAYFHSGVWNZHV-UHFFFAOYSA-N 1 0 331.843 4.570 50 0 EJAARO CCC(CC)C[NH+]1CCC(c2n[nH]cc2-c2cccc(OC)c2)CC1 ZINC000012242548 563656837 /nfs/dbraw/zinc/65/68/37/563656837.db2.gz MPVSLDWXTXXGQP-UHFFFAOYSA-N 1 0 341.499 4.701 50 0 EJAARO CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012466568 563661510 /nfs/dbraw/zinc/66/15/10/563661510.db2.gz JFISWJCPUZZMNN-KRWDZBQOSA-N 1 0 328.456 4.732 50 0 EJAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000012710093 563668176 /nfs/dbraw/zinc/66/81/76/563668176.db2.gz BCMIAPXOEBTJCQ-CQSZACIVSA-N 1 0 325.843 4.685 50 0 EJAARO c1ccc([C@@H]2[NH2+][C@@H]3c4ccccc4OC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000229986107 563677443 /nfs/dbraw/zinc/67/74/43/563677443.db2.gz RCYAVNHQXWBEAI-XBYSBRQOSA-N 1 0 327.427 4.865 50 0 EJAARO Cc1ccc(-c2noc(C[N@H+](Cc3ccccc3)[C@@H](C)C3CC3)n2)cc1 ZINC000032819977 563757587 /nfs/dbraw/zinc/75/75/87/563757587.db2.gz KWDJJXUHNVWVPE-KRWDZBQOSA-N 1 0 347.462 4.846 50 0 EJAARO C[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCCCC1 ZINC000014705027 563763411 /nfs/dbraw/zinc/76/34/11/563763411.db2.gz CSJACMGSMFQCLN-UHFFFAOYSA-N 1 0 342.455 4.594 50 0 EJAARO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000014989301 563770471 /nfs/dbraw/zinc/77/04/71/563770471.db2.gz VRDVNYDDFBXMFB-WMZOPIPTSA-N 1 0 339.458 4.752 50 0 EJAARO Cc1cccc(NC(=O)CCC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000015070019 563775989 /nfs/dbraw/zinc/77/59/89/563775989.db2.gz QRHWFSGFRBHOBQ-FQEVSTJZSA-N 1 0 340.511 4.782 50 0 EJAARO COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000015452709 563784618 /nfs/dbraw/zinc/78/46/18/563784618.db2.gz PBWZGCKMUODASB-YCRPNKLZSA-N 1 0 348.446 4.585 50 0 EJAARO CC1CC[NH+](CCOCCOc2ccc(Cl)c3ccccc23)CC1 ZINC000015768191 563791822 /nfs/dbraw/zinc/79/18/22/563791822.db2.gz JMRFJSRWEYXYRQ-UHFFFAOYSA-N 1 0 347.886 4.621 50 0 EJAARO c1ccc(OCCC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000070040809 563904458 /nfs/dbraw/zinc/90/44/58/563904458.db2.gz VTZQWIZKMNJGAP-SFHVURJKSA-N 1 0 338.476 4.902 50 0 EJAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029483112 563906838 /nfs/dbraw/zinc/90/68/38/563906838.db2.gz WZUJGLCWBQEIII-QGZVFWFLSA-N 1 0 349.261 4.551 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)s2)cc1O ZINC000033087152 563914952 /nfs/dbraw/zinc/91/49/52/563914952.db2.gz LORBOIIYIXMRSN-MRXNPFEDSA-N 1 0 331.481 4.888 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(C)c2)cc1O ZINC000033087147 563914977 /nfs/dbraw/zinc/91/49/77/563914977.db2.gz GCSYLBGRXRCXQY-IBGZPJMESA-N 1 0 325.452 4.827 50 0 EJAARO C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000033759811 563916426 /nfs/dbraw/zinc/91/64/26/563916426.db2.gz GVIAXRUEUWNZTF-VOZBZGINSA-N 1 0 334.246 4.974 50 0 EJAARO CC1(C)C[C@@H](C[NH2+]CC[C@@H](c2ccco2)c2ccccc2)CCO1 ZINC000002139702 563917940 /nfs/dbraw/zinc/91/79/40/563917940.db2.gz YLIFUTNQCPIQQY-PKOBYXMFSA-N 1 0 327.468 4.596 50 0 biogenic EJAARO CC(C)(C)C1CCC([NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000022455497 563918514 /nfs/dbraw/zinc/91/85/14/563918514.db2.gz CXHCRMXEXDJEHJ-JXMROGBWSA-N 1 0 340.555 4.922 50 0 EJAARO COc1cccc(N2CC[NH+](CCC3=C(C)CCCC3(C)C)CC2)c1 ZINC000006569649 563919252 /nfs/dbraw/zinc/91/92/52/563919252.db2.gz GMNNWWYFVAEIBM-UHFFFAOYSA-N 1 0 342.527 4.734 50 0 EJAARO CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CCCCCCC2)cc1 ZINC000060303378 563924768 /nfs/dbraw/zinc/92/47/68/563924768.db2.gz XJCPBVPXCQDNLF-UHFFFAOYSA-N 1 0 330.516 4.713 50 0 EJAARO Cc1cccc(C)c1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058163340 563938623 /nfs/dbraw/zinc/93/86/23/563938623.db2.gz YCRFFXLQQHYYJW-UHFFFAOYSA-N 1 0 344.458 4.621 50 0 EJAARO CCCC[N@@H+]1Cc2ccc(NC(=O)/C=C/c3cccs3)cc2C1 ZINC000058309532 563942184 /nfs/dbraw/zinc/94/21/84/563942184.db2.gz RMONFMYBVRGADC-CMDGGOBGSA-N 1 0 326.465 4.516 50 0 EJAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000058434121 563946360 /nfs/dbraw/zinc/94/63/60/563946360.db2.gz NZLJTRJNWRYOBR-LJQANCHMSA-N 1 0 348.446 4.557 50 0 EJAARO C[C@H](c1cccc(-c2ccc(O)c(-c3ccno3)c2)c1)[NH+]1CCCC1 ZINC000065429613 563960801 /nfs/dbraw/zinc/96/08/01/563960801.db2.gz QPKMTNXKOVBWRR-OAHLLOKOSA-N 1 0 334.419 4.871 50 0 EJAARO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000071663055 563964705 /nfs/dbraw/zinc/96/47/05/563964705.db2.gz HVTLTIQKGUCHSF-MRXNPFEDSA-N 1 0 348.412 4.945 50 0 EJAARO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000071764409 563965481 /nfs/dbraw/zinc/96/54/81/563965481.db2.gz LSYSUJQVFLXZBN-KRWDZBQOSA-N 1 0 348.412 4.945 50 0 EJAARO CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(F)cc1 ZINC000000071943 563967533 /nfs/dbraw/zinc/96/75/33/563967533.db2.gz LPILCPDGKQHAPT-UHFFFAOYSA-N 1 0 338.382 4.911 50 0 EJAARO Cc1ccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000016247194 563976167 /nfs/dbraw/zinc/97/61/67/563976167.db2.gz QABLTKMPCIUMRR-HDICACEKSA-N 1 0 333.516 4.561 50 0 EJAARO CC[C@H](C)c1ccc(OCCOCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000016247362 563976230 /nfs/dbraw/zinc/97/62/30/563976230.db2.gz SWQCGVOTNGYYTN-QRVBRYPASA-N 1 0 333.516 4.573 50 0 EJAARO c1nc(C[N@@H+]2CCCC(c3ccccc3)(c3ccccc3)C2)cs1 ZINC000095525969 563977467 /nfs/dbraw/zinc/97/74/67/563977467.db2.gz PNCZFDXPVXKVPA-UHFFFAOYSA-N 1 0 334.488 4.725 50 0 EJAARO COc1cccc([C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000072309100 563983698 /nfs/dbraw/zinc/98/36/98/563983698.db2.gz ZUJHOXBTSAZDJK-RDJZCZTQSA-N 1 0 336.435 4.777 50 0 EJAARO C[NH+](C)CCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000000144053 563987183 /nfs/dbraw/zinc/98/71/83/563987183.db2.gz IYSDIBYKXROOMH-UHFFFAOYSA-N 1 0 348.494 4.568 50 0 EJAARO c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000061780405 564001354 /nfs/dbraw/zinc/00/13/54/564001354.db2.gz VTZQWIZKMNJGAP-GOSISDBHSA-N 1 0 338.476 4.902 50 0 EJAARO C[C@@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1 ZINC000005350364 564003026 /nfs/dbraw/zinc/00/30/26/564003026.db2.gz JARGVZLPOWSQTB-LAUBAEHRSA-N 1 0 327.468 4.675 50 0 EJAARO Cc1ccc(C[NH+]2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1 ZINC000005625978 564006570 /nfs/dbraw/zinc/00/65/70/564006570.db2.gz QWKVLFDZMMXCIJ-UHFFFAOYSA-N 1 0 337.492 4.826 50 0 EJAARO COc1ccc(CC[NH2+]C2CCC(c3ccccc3)CC2)cc1OC ZINC000005720783 564014194 /nfs/dbraw/zinc/01/41/94/564014194.db2.gz GBWJCEFSOZKBBD-UHFFFAOYSA-N 1 0 339.479 4.562 50 0 EJAARO C[N@@H+]1C[C@H](C(=O)c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005698949 564019323 /nfs/dbraw/zinc/01/93/23/564019323.db2.gz TZYCOGSJLNLMCK-CVEARBPZSA-N 1 0 334.246 4.522 50 0 EJAARO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cccc2ccccc21 ZINC000014232408 564022037 /nfs/dbraw/zinc/02/20/37/564022037.db2.gz PCEYVUDDBZVOPJ-QGZVFWFLSA-N 1 0 327.431 4.876 50 0 EJAARO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)co2)cc1 ZINC000048339851 564031204 /nfs/dbraw/zinc/03/12/04/564031204.db2.gz CALUVDRRVGCHQW-OAQYLSRUSA-N 1 0 332.447 4.857 50 0 EJAARO Cc1cc(-c2c(C)n(O)c(C)c(-c3ccccc3)[n+]2=O)ccc1Cl ZINC000136553758 564032839 /nfs/dbraw/zinc/03/28/39/564032839.db2.gz VJQXXONAJRYOJQ-UHFFFAOYSA-N 1 0 341.818 4.553 50 0 EJAARO Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH+]c1NCc1cccnc1 ZINC000000819127 564035227 /nfs/dbraw/zinc/03/52/27/564035227.db2.gz BJEDJKIYEQKQBV-UHFFFAOYSA-N 1 0 340.430 4.761 50 0 EJAARO CCc1[nH+]c2ccccc2c(NCc2cccc(NC(C)=O)c2)c1C ZINC000225573279 564047880 /nfs/dbraw/zinc/04/78/80/564047880.db2.gz RRAHQQDZFRYFLZ-UHFFFAOYSA-N 1 0 333.435 4.676 50 0 EJAARO COc1ccc2cc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)ccc2c1 ZINC000025361183 564054265 /nfs/dbraw/zinc/05/42/65/564054265.db2.gz IYYNWCXOEYOZEV-ZDUSSCGKSA-N 1 0 327.374 4.977 50 0 EJAARO C[C@@H](c1cccc(-c2ccc(Cn3ccnc3)cc2)c1)[NH+]1CCCC1 ZINC000534675683 564061663 /nfs/dbraw/zinc/06/16/63/564061663.db2.gz SSZDQKPTOBEBLF-SFHVURJKSA-N 1 0 331.463 4.755 50 0 EJAARO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000083973355 564065391 /nfs/dbraw/zinc/06/53/91/564065391.db2.gz NBTMWFBWAVJHOW-IBGZPJMESA-N 1 0 348.446 4.557 50 0 EJAARO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000012767390 564068252 /nfs/dbraw/zinc/06/82/52/564068252.db2.gz YZPQRRYNVAHOEH-MSOLQXFVSA-N 1 0 346.474 4.538 50 0 EJAARO C[C@@H](c1ccc2ccccc2c1)[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000063577743 564073245 /nfs/dbraw/zinc/07/32/45/564073245.db2.gz KKPYVDDNQMKFQP-INIZCTEOSA-N 1 0 344.458 4.664 50 0 EJAARO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 ZINC000012869681 564076006 /nfs/dbraw/zinc/07/60/06/564076006.db2.gz LWWFAARRZYXROW-HUUCEWRRSA-N 1 0 336.410 4.657 50 0 EJAARO Cc1csc2[n+]1[C@@H](c1ccccc1)c1cc(Cl)ccc1N2C ZINC000003199961 564076016 /nfs/dbraw/zinc/07/60/16/564076016.db2.gz RCECMLXAHUOJSD-KRWDZBQOSA-N 1 0 327.860 4.716 50 0 EJAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1OC ZINC000015837296 564076497 /nfs/dbraw/zinc/07/64/97/564076497.db2.gz VVLPGXSZQGKQGR-SFHVURJKSA-N 1 0 329.415 4.570 50 0 EJAARO Cc1ccccc1C[NH+]1CCC(COCc2ccc(F)cc2)CC1 ZINC000075156568 564080942 /nfs/dbraw/zinc/08/09/42/564080942.db2.gz KGLDNMSXBMKJNL-UHFFFAOYSA-N 1 0 327.443 4.563 50 0 EJAARO O[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000075283230 564081505 /nfs/dbraw/zinc/08/15/05/564081505.db2.gz QZLPISWAPZYBBS-SFTDATJTSA-N 1 0 337.850 4.905 50 0 EJAARO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)c1cccc3ccccc31)C2 ZINC000064142996 564085265 /nfs/dbraw/zinc/08/52/65/564085265.db2.gz MDQAABQLEKQAOY-MRXNPFEDSA-N 1 0 344.458 4.918 50 0 EJAARO CC(C)CCN1C(=O)c2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000239203320 564088013 /nfs/dbraw/zinc/08/80/13/564088013.db2.gz SDCUDEZNTYGSGW-LNKGRISISA-N 1 0 328.500 4.601 50 0 EJAARO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000242284616 564088508 /nfs/dbraw/zinc/08/85/08/564088508.db2.gz YIDXPZFRIWKIBD-DOMZBBRYSA-N 1 0 334.872 4.566 50 0 EJAARO CC1(C)C[C@@H]([C@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)CCO1 ZINC000001817953 564088738 /nfs/dbraw/zinc/08/87/38/564088738.db2.gz VGFDASKIEQFNNO-UXHICEINSA-N 1 0 341.495 4.823 50 0 biogenic EJAARO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 ZINC000089544950 564092791 /nfs/dbraw/zinc/09/27/91/564092791.db2.gz JPUFRYKDVHSEAH-KBPBESRZSA-N 1 0 340.858 4.641 50 0 EJAARO CSc1cccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000013325248 564111531 /nfs/dbraw/zinc/11/15/31/564111531.db2.gz DVADHFGMVRLURK-UHFFFAOYSA-N 1 0 341.480 4.648 50 0 EJAARO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000089904898 564115019 /nfs/dbraw/zinc/11/50/19/564115019.db2.gz AUECQLRHFAMZEW-DOYUUMQYSA-N 1 0 347.911 4.879 50 0 EJAARO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1 ZINC000090044501 564116199 /nfs/dbraw/zinc/11/61/99/564116199.db2.gz FNEOAXMSVRTRRA-AWEZNQCLSA-N 1 0 349.459 4.845 50 0 EJAARO Cc1cc(C)c(OCCC[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000002822490 564116946 /nfs/dbraw/zinc/11/69/46/564116946.db2.gz VAESAOPTTWVSLB-ZDUSSCGKSA-N 1 0 340.305 4.567 50 0 EJAARO COc1ccccc1[C@@H](CC[NH2+]Cc1cccs1)c1ccco1 ZINC000002103152 564117651 /nfs/dbraw/zinc/11/76/51/564117651.db2.gz MZNUAYVWLQJNOQ-QGZVFWFLSA-N 1 0 327.449 4.662 50 0 biogenic EJAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(C(C)C)CCO1 ZINC000002111063 564118046 /nfs/dbraw/zinc/11/80/46/564118046.db2.gz IQRLISDRZDPFHJ-RTWAWAEBSA-N 1 0 333.516 4.796 50 0 biogenic EJAARO c1ccc([C@@H]2[NH2+][C@@H]3c4ccccc4OC[C@H]3[C@H]2c2ccccc2)cc1 ZINC000252428149 564118381 /nfs/dbraw/zinc/11/83/81/564118381.db2.gz RCYAVNHQXWBEAI-FCJDFRRUSA-N 1 0 327.427 4.865 50 0 EJAARO CCc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)oc1-c1ccccc1 ZINC000252538736 564120630 /nfs/dbraw/zinc/12/06/30/564120630.db2.gz NGCVTPQROISFPX-WLWJZTKJSA-N 1 0 340.467 4.512 50 0 EJAARO Clc1ccc([C@H](CC[NH2+]C[C@H]2CCCO2)Cc2ccccc2)cc1 ZINC000002360432 564133714 /nfs/dbraw/zinc/13/37/14/564133714.db2.gz OQGCDSXZUITRFQ-TZIWHRDSSA-N 1 0 343.898 4.825 50 0 EJAARO C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2o1 ZINC000095420167 564139910 /nfs/dbraw/zinc/13/99/10/564139910.db2.gz YCUBOJJQZJWKMF-INIZCTEOSA-N 1 0 331.419 4.528 50 0 EJAARO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000095967224 564143048 /nfs/dbraw/zinc/14/30/48/564143048.db2.gz DVLREDXKWJKQDJ-OSPHWJPCSA-N 1 0 341.520 4.587 50 0 EJAARO FC(F)(F)c1cccc(OCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000096027775 564145056 /nfs/dbraw/zinc/14/50/56/564145056.db2.gz FNDIBOXPXWYHFT-UHFFFAOYSA-N 1 0 335.369 4.533 50 0 EJAARO c1ccc(COc2ccccc2C[NH2+][C@H]2CCCc3ccccc32)nc1 ZINC000055472227 564150058 /nfs/dbraw/zinc/15/00/58/564150058.db2.gz CIQDHIQKDAAOGA-QFIPXVFZSA-N 1 0 344.458 4.828 50 0 EJAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057381182 564153849 /nfs/dbraw/zinc/15/38/49/564153849.db2.gz ZAFJFOWSYFHMPC-WMLDXEAASA-N 1 0 338.476 4.946 50 0 EJAARO CCc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 ZINC000057758631 564155739 /nfs/dbraw/zinc/15/57/39/564155739.db2.gz QGZJQNMNRUCDNJ-QGZVFWFLSA-N 1 0 339.460 4.754 50 0 EJAARO Cc1scc(C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1C ZINC000057992720 564157054 /nfs/dbraw/zinc/15/70/54/564157054.db2.gz IQTRPLZHGZUMQL-UHFFFAOYSA-N 1 0 334.916 4.649 50 0 EJAARO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCCCC2)c1C ZINC000004305827 564161614 /nfs/dbraw/zinc/16/16/14/564161614.db2.gz IZGAOSRJAJPUIV-UHFFFAOYSA-N 1 0 328.481 4.603 50 0 EJAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717813 564166775 /nfs/dbraw/zinc/16/67/75/564166775.db2.gz MBLHIKGDVPBSKF-ZDUSSCGKSA-N 1 0 348.874 4.675 50 0 EJAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@@H+]1CCC[C@H](C)C1 ZINC000008717968 564166866 /nfs/dbraw/zinc/16/68/66/564166866.db2.gz TUFKCQXQMQYRLP-HNNXBMFYSA-N 1 0 342.483 4.516 50 0 EJAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@@H+]1CCCC[C@@H]1C ZINC000008717967 564166871 /nfs/dbraw/zinc/16/68/71/564166871.db2.gz IUGCVVCGSXFFNP-HNNXBMFYSA-N 1 0 342.483 4.658 50 0 EJAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000009377406 564173187 /nfs/dbraw/zinc/17/31/87/564173187.db2.gz AKMXKIOBBUSCTE-FAKMSMKASA-N 1 0 329.509 4.671 50 0 EJAARO C(=C/c1ccccc1)\C[NH+](C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000004699205 210251348 /nfs/dbraw/zinc/25/13/48/210251348.db2.gz CKKCAEVOVWDVFC-IJVSWKGXSA-N 1 0 333.475 4.894 50 0 EJAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000056851984 214392042 /nfs/dbraw/zinc/39/20/42/214392042.db2.gz LEASASBMIQNXAC-HOTGVXAUSA-N 1 0 348.446 4.526 50 0 EJAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(C(F)(F)F)cc1 ZINC000004678523 210244065 /nfs/dbraw/zinc/24/40/65/210244065.db2.gz FIJXYOPEPAMTQY-UHFFFAOYSA-N 1 0 349.331 4.857 50 0 EJAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000058216853 214506236 /nfs/dbraw/zinc/50/62/36/214506236.db2.gz VGQPXYMLBBCQIK-GFCCVEGCSA-N 1 0 336.357 4.515 50 0 EJAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OC1CCCC1 ZINC000004418297 210190144 /nfs/dbraw/zinc/19/01/44/210190144.db2.gz SGGCEVYDKLLYSK-UHFFFAOYSA-N 1 0 326.278 4.659 50 0 EJAARO CC(C)=CCCC1=CC[C@H](CN(CCC[NH+](C)C)C(C)=O)[C@H](C)C1 ZINC000004025879 210103656 /nfs/dbraw/zinc/10/36/56/210103656.db2.gz YFSDFXHVCMRUBE-WIYYLYMNSA-N 1 0 334.548 4.506 50 0 biogenic EJAARO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000003614186 210065591 /nfs/dbraw/zinc/06/55/91/210065591.db2.gz ALDAZNUUXXTOPK-OAQYLSRUSA-N 1 0 336.479 4.976 50 0 EJAARO O=C(c1cc2ccccc2o1)[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000003355886 210016573 /nfs/dbraw/zinc/01/65/73/210016573.db2.gz DOCXWYDRIZSBRT-IBGZPJMESA-N 1 0 333.431 4.713 50 0 EJAARO CC[C@H](C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770375 213532960 /nfs/dbraw/zinc/53/29/60/213532960.db2.gz GVBIJYSQAGRSAT-UONOGXRCSA-N 1 0 340.305 4.731 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc(F)cc1F ZINC000002854688 209928642 /nfs/dbraw/zinc/92/86/42/209928642.db2.gz XYZGMZMTFCLQDP-UHFFFAOYSA-N 1 0 345.393 4.595 50 0 EJAARO CCc1ccc(C[N@H+](C)CCCC(=O)Nc2c(C)cccc2C)cc1 ZINC000040461099 213307403 /nfs/dbraw/zinc/30/74/03/213307403.db2.gz KBGSMXQLGOOHEP-UHFFFAOYSA-N 1 0 338.495 4.717 50 0 EJAARO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1C ZINC000040086370 213259803 /nfs/dbraw/zinc/25/98/03/213259803.db2.gz GKMRLKLSANBXJK-JOCHJYFZSA-N 1 0 345.490 4.715 50 0 EJAARO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000040057091 213255148 /nfs/dbraw/zinc/25/51/48/213255148.db2.gz PCEKUMCEQMRZMI-XXWNAHEMSA-N 1 0 331.504 4.576 50 0 EJAARO c1cc([C@H]2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)n[nH]1 ZINC000039455216 213238259 /nfs/dbraw/zinc/23/82/59/213238259.db2.gz RPOZBKSVZOZIQK-SFHVURJKSA-N 1 0 333.435 4.582 50 0 EJAARO O=C(Nc1ccc(F)cc1F)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038853620 213227633 /nfs/dbraw/zinc/22/76/33/213227633.db2.gz HGZFDVUOQCKWSM-UHFFFAOYSA-N 1 0 344.405 4.593 50 0 EJAARO CCCC[NH2+][C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000020149701 202033961 /nfs/dbraw/zinc/03/39/61/202033961.db2.gz BAEHIFDGFKNAKZ-LAUBAEHRSA-N 1 0 336.479 4.552 50 0 EJAARO CCC[N@@H+](Cc1nc(-c2ccc(SC)cc2)oc1C)CC1CC1 ZINC000020256868 202036290 /nfs/dbraw/zinc/03/62/90/202036290.db2.gz FEIMGANPMNAEMS-UHFFFAOYSA-N 1 0 330.497 4.994 50 0 EJAARO CC(C)[C@](O)(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868860 202056175 /nfs/dbraw/zinc/05/61/75/202056175.db2.gz GIDTWQNIWJDQIL-PKTZIBPZSA-N 1 0 337.507 4.800 50 0 EJAARO C[N@H+](CCC(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000022198245 202080756 /nfs/dbraw/zinc/08/07/56/202080756.db2.gz NJKWDHMLLAASPK-UHFFFAOYSA-N 1 0 344.458 4.737 50 0 EJAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC000036031636 213057109 /nfs/dbraw/zinc/05/71/09/213057109.db2.gz HAIRCBXPJLYHGO-QHCPKHFHSA-N 1 0 331.459 4.731 50 0 EJAARO CC(C)Cn1cncc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072153974 216041745 /nfs/dbraw/zinc/04/17/45/216041745.db2.gz GAHAWWPHPAPNQE-IBGZPJMESA-N 1 0 343.490 4.523 50 0 EJAARO O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)c1ccc(C2CC2)cc1 ZINC000033898494 202269918 /nfs/dbraw/zinc/26/99/18/202269918.db2.gz GZUDNCQEOHGFEE-QHCPKHFHSA-N 1 0 335.491 4.676 50 0 EJAARO Cc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1ccccc1F ZINC000036348302 202321590 /nfs/dbraw/zinc/32/15/90/202321590.db2.gz HXKPTQQHXDSKCO-QFIPXVFZSA-N 1 0 334.438 4.931 50 0 EJAARO CCc1cc2c(cc1[C@@H](O)C[n+]1ccccc1)C(C)(C)CCC2(C)C ZINC000072334075 216156528 /nfs/dbraw/zinc/15/65/28/216156528.db2.gz WNPFVRKVRMEJPL-NRFANRHFSA-N 1 0 338.515 4.619 50 0 EJAARO COc1cccc([C@@H]2CC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)c(C)c2)c1 ZINC000072409445 216200788 /nfs/dbraw/zinc/20/07/88/216200788.db2.gz IKJVEXWJHOFMAX-NRFANRHFSA-N 1 0 347.462 4.649 50 0 EJAARO C[N@H+](Cc1cnc(C2CCCCC2)nc1)Cc1cccc2cnccc21 ZINC000072463161 216245054 /nfs/dbraw/zinc/24/50/54/216245054.db2.gz NRNPOJUXOMWGFF-UHFFFAOYSA-N 1 0 346.478 4.705 50 0 EJAARO OC(c1ccccc1)(c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000023549911 212383075 /nfs/dbraw/zinc/38/30/75/212383075.db2.gz AZOXPIPWRDWNBA-HSZRJFAPSA-N 1 0 343.470 4.587 50 0 EJAARO COc1ccc(C[C@@H](C)[NH2+]C2c3ccccc3-c3ccccc32)cc1 ZINC000023280847 212365764 /nfs/dbraw/zinc/36/57/64/212365764.db2.gz TUGATIDIHNIJBE-MRXNPFEDSA-N 1 0 329.443 4.986 50 0 EJAARO Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000022734519 212319756 /nfs/dbraw/zinc/31/97/56/212319756.db2.gz RDOVULMAZOVCLL-UHFFFAOYSA-N 1 0 349.305 4.620 50 0 EJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)c(OC)c1 ZINC000022516194 212303730 /nfs/dbraw/zinc/30/37/30/212303730.db2.gz TYIGXXDZVAOSNU-HXUWFJFHSA-N 1 0 348.446 4.589 50 0 EJAARO Cc1noc(C)c1CCC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000225509972 241905672 /nfs/dbraw/zinc/90/56/72/241905672.db2.gz PJMOMULGHIXFGN-FQEVSTJZSA-N 1 0 337.467 4.681 50 0 EJAARO Cc1nc(C)c(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)s1 ZINC000225714677 242000950 /nfs/dbraw/zinc/00/09/50/242000950.db2.gz XRWMSIGEGSBDFK-JFUSQASVSA-N 1 0 326.918 4.757 50 0 EJAARO COc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccc(C)cc2)cc1 ZINC000002117755 201525194 /nfs/dbraw/zinc/52/51/94/201525194.db2.gz PRZCURDAEIBKLV-OAQYLSRUSA-N 1 0 335.447 4.908 50 0 aggregator EJAARO [NH3+]Cc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000002386704 201530685 /nfs/dbraw/zinc/53/06/85/201530685.db2.gz LEMJNIFCYZYXCG-UHFFFAOYSA-N 1 0 335.247 4.975 50 0 EJAARO Cc1cc(Cl)c(OCCCC[NH+]2CCCC2)c(Br)c1 ZINC000003003732 201554598 /nfs/dbraw/zinc/55/45/98/201554598.db2.gz ILNKOAGUUFEOOP-UHFFFAOYSA-N 1 0 346.696 4.666 50 0 EJAARO CCc1ccc([C@](O)(CC)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000020868886 212181010 /nfs/dbraw/zinc/18/10/10/212181010.db2.gz YHMXGSALRPNXOL-XZOQPEGZSA-N 1 0 337.507 4.726 50 0 EJAARO Cc1ccc([C@](O)(C(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000020868925 212180862 /nfs/dbraw/zinc/18/08/62/212180862.db2.gz FQUXLGLVJCAWNS-DHIUTWEWSA-N 1 0 337.507 4.718 50 0 EJAARO C[C@@H](c1nc2ccccc2n1CCOc1ccccc1)[NH+]1CCCCC1 ZINC000006665012 201690055 /nfs/dbraw/zinc/69/00/55/201690055.db2.gz WROIWPZRFNQFBL-SFHVURJKSA-N 1 0 349.478 4.662 50 0 EJAARO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccoc3)C2)cc1 ZINC000020452962 212130970 /nfs/dbraw/zinc/13/09/70/212130970.db2.gz HFWXAHXZUSPQBK-INIZCTEOSA-N 1 0 341.842 4.703 50 0 EJAARO c1ccc(Oc2cccc(C[NH2+]CCc3nc4ccccc4[nH]3)c2)cc1 ZINC000072276816 203189183 /nfs/dbraw/zinc/18/91/83/203189183.db2.gz XAMOKXWUTLLVHU-UHFFFAOYSA-N 1 0 343.430 4.688 50 0 EJAARO CCCC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000020149702 212106464 /nfs/dbraw/zinc/10/64/64/212106464.db2.gz BAEHIFDGFKNAKZ-UWJYYQICSA-N 1 0 336.479 4.552 50 0 EJAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000019800874 212070016 /nfs/dbraw/zinc/07/00/16/212070016.db2.gz SGRXPZXZFVLCLR-WMZHIEFXSA-N 1 0 343.470 4.758 50 0 EJAARO CC(C)c1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019358784 212021536 /nfs/dbraw/zinc/02/15/36/212021536.db2.gz PCFDPQPZRREGSR-RMKNXTFCSA-N 1 0 334.507 4.641 50 0 EJAARO Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000013325258 211546193 /nfs/dbraw/zinc/54/61/93/211546193.db2.gz ICJNBMXOOLFDTF-UHFFFAOYSA-N 1 0 343.858 4.888 50 0 EJAARO C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[NH+]1CCCC1 ZINC000012520391 211397449 /nfs/dbraw/zinc/39/74/49/211397449.db2.gz CUFMAJNGORLFDW-HNNXBMFYSA-N 1 0 339.870 4.895 50 0 EJAARO Clc1ccc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000012506076 211394424 /nfs/dbraw/zinc/39/44/24/211394424.db2.gz DWSJUCQZHFKSJT-UHFFFAOYSA-N 1 0 347.849 4.969 50 0 EJAARO c1ccc(COc2cccc(C[N@@H+]3CCc4ccccc4C3)c2)cc1 ZINC000012489690 211393621 /nfs/dbraw/zinc/39/36/21/211393621.db2.gz LDYANYNPRZWVIX-UHFFFAOYSA-N 1 0 329.443 4.824 50 0 EJAARO Cc1c(C)n(Cc2ccncc2)c2[nH+]c(-c3ccccc3)c(C)c(N)c12 ZINC000012324806 211348100 /nfs/dbraw/zinc/34/81/00/211348100.db2.gz AMFLESKGOMFHPP-UHFFFAOYSA-N 1 0 342.446 4.654 50 0 EJAARO Cc1c(C)n(Cc2cccnc2)c2[nH+]c(-c3ccccc3)c(C)c(N)c12 ZINC000012324466 211347396 /nfs/dbraw/zinc/34/73/96/211347396.db2.gz KHBQYFPGLSFIGT-UHFFFAOYSA-N 1 0 342.446 4.654 50 0 EJAARO CC(C)=CC[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000011912259 211268295 /nfs/dbraw/zinc/26/82/95/211268295.db2.gz KUTXTNKUJILMOZ-CQSZACIVSA-N 1 0 331.410 4.501 50 0 EJAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000011839954 211254561 /nfs/dbraw/zinc/25/45/61/211254561.db2.gz OZWZHDBOTWKQBD-GOSISDBHSA-N 1 0 345.442 4.626 50 0 EJAARO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCc2ccccc21 ZINC000011285365 211209779 /nfs/dbraw/zinc/20/97/79/211209779.db2.gz LXXOHSBPSNWPEM-IBGZPJMESA-N 1 0 336.410 4.990 50 0 EJAARO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010367092 211169020 /nfs/dbraw/zinc/16/90/20/211169020.db2.gz JXFAVVDXZMRUTB-UHFFFAOYSA-N 1 0 342.870 4.887 50 0 EJAARO Cc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333972 211166203 /nfs/dbraw/zinc/16/62/03/211166203.db2.gz VBGPETYLMHLGKJ-UHFFFAOYSA-N 1 0 342.870 4.887 50 0 EJAARO CC(C)[C@H]1C[C@@](CC[NH2+]Cc2ccco2)(Cc2ccccc2)CCO1 ZINC000009047503 211034415 /nfs/dbraw/zinc/03/44/15/211034415.db2.gz FTYLBMAHZDXPAM-FGZHOGPDSA-N 1 0 341.495 4.823 50 0 EJAARO CCCCC1CCC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000008915190 211016810 /nfs/dbraw/zinc/01/68/10/211016810.db2.gz KHBAGKKFBRJIQE-CTWPCTMYSA-N 1 0 346.515 4.529 50 0 EJAARO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)nc1 ZINC000095416689 218355668 /nfs/dbraw/zinc/35/56/68/218355668.db2.gz OPFHXODUGVALLU-HNNXBMFYSA-N 1 0 337.398 4.567 50 0 EJAARO c1nc(C2CCC2)sc1C[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000095415529 218354382 /nfs/dbraw/zinc/35/43/82/218354382.db2.gz BZDLCPSUGFCRBN-GOSISDBHSA-N 1 0 327.497 4.827 50 0 EJAARO COc1cc([C@H](C)[NH2+]Cc2scnc2C)ccc1SC(F)F ZINC000095421966 218364154 /nfs/dbraw/zinc/36/41/54/218364154.db2.gz OHZHLQBHOIOIKC-VIFPVBQESA-N 1 0 344.452 4.626 50 0 EJAARO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CCCC(C)C ZINC000095450971 218395334 /nfs/dbraw/zinc/39/53/34/218395334.db2.gz KOEWMCWRWGVXCS-OAHLLOKOSA-N 1 0 349.519 4.502 50 0 EJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2ccccc2c1 ZINC000007945635 210867942 /nfs/dbraw/zinc/86/79/42/210867942.db2.gz FUCFITFFFFYNKF-UHFFFAOYSA-N 1 0 346.474 4.612 50 0 EJAARO Fc1ccccc1OCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004832078 210290378 /nfs/dbraw/zinc/29/03/78/210290378.db2.gz ZDWIXGVLIRRLPA-UHFFFAOYSA-N 1 0 327.443 4.549 50 0 EJAARO Cc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000055544052 132196048 /nfs/dbraw/zinc/19/60/48/132196048.db2.gz QNGGKCSNYQHDAO-UHFFFAOYSA-N 1 0 342.486 4.984 50 0 EJAARO Oc1cc(-c2ccc3sc4ccccc4c3c2)cc2c1OCC[NH2+]C2 ZINC000067879517 518203624 /nfs/dbraw/zinc/20/36/24/518203624.db2.gz BYAPHMPWVQHPPU-UHFFFAOYSA-N 1 0 347.439 4.909 50 0 EJAARO c1ccc(COc2ccc(OCCCC[NH+]3CCCC3)cc2)cc1 ZINC000003003555 526474294 /nfs/dbraw/zinc/47/42/94/526474294.db2.gz PXOSRXIRTZFHEM-UHFFFAOYSA-N 1 0 325.452 4.520 50 0 EJAARO Clc1ccc(OCCCC[NH+]2CCCCC2)c(Br)c1 ZINC000003001042 526958070 /nfs/dbraw/zinc/95/80/70/526958070.db2.gz SMWAXPTYVZWKLL-UHFFFAOYSA-N 1 0 346.696 4.747 50 0 EJAARO C[NH+](C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21 ZINC000001717860 535833429 /nfs/dbraw/zinc/83/34/29/535833429.db2.gz HICFFJZGXWEIHN-UHFFFAOYSA-N 1 0 334.872 4.600 50 0 world EJAARO CC[C@@H](C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770363 563924821 /nfs/dbraw/zinc/92/48/21/563924821.db2.gz GVBIJYSQAGRSAT-KGLIPLIRSA-N 1 0 340.305 4.731 50 0 EJAARO CC(C)(C)c1cc(Br)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770446 563924835 /nfs/dbraw/zinc/92/48/35/563924835.db2.gz KWRYVTAVYXOUPJ-CYBMUJFWSA-N 1 0 340.305 4.515 50 0 EJAARO CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000002887333 564013513 /nfs/dbraw/zinc/01/35/13/564013513.db2.gz XLEKIIANFRURJA-UHFFFAOYSA-N 1 0 340.250 4.691 50 0 EJAARO CC(C)(C)[N@H+](Cc1cnc(Br)s1)Cc1ccccc1 ZINC000241126032 564051843 /nfs/dbraw/zinc/05/18/43/564051843.db2.gz JJARGRHUMGJYOU-UHFFFAOYSA-N 1 0 339.302 4.706 50 0 EJAARO CC[NH+](CC)CCNc1cc(-c2cccs2)nc2ccccc21 ZINC000000088028 563221433 /nfs/dbraw/zinc/22/14/33/563221433.db2.gz OTMRNEAGIPQZIV-UHFFFAOYSA-N 1 0 325.481 4.717 50 0 EJAARO Cc1c2ccccc2sc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000000153853 563247066 /nfs/dbraw/zinc/24/70/66/563247066.db2.gz MUIINZBOGQAMTQ-UHFFFAOYSA-N 1 0 328.525 4.660 50 0 EJAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000210659 563260805 /nfs/dbraw/zinc/26/08/05/563260805.db2.gz WNBGEAYOJFECOY-BBWFWOEESA-N 1 0 331.500 4.792 50 0 EJAARO C[C@H](CC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccccc1 ZINC000000219006 563262249 /nfs/dbraw/zinc/26/22/49/563262249.db2.gz SVDYYWQMNYSZKC-QGZVFWFLSA-N 1 0 328.887 4.656 50 0 EJAARO CCc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000239935 563265000 /nfs/dbraw/zinc/26/50/00/563265000.db2.gz SSVIQZQURYFUJX-UHFFFAOYSA-N 1 0 348.412 4.590 50 0 EJAARO c1ccc(Oc2cccc(CN3CCC([NH+]4CCCC4)CC3)c2)cc1 ZINC000000317446 563283379 /nfs/dbraw/zinc/28/33/79/563283379.db2.gz MGPBJDPGBWZQJM-UHFFFAOYSA-N 1 0 336.479 4.539 50 0 EJAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccncc3)c2)cc1 ZINC000000360386 563293328 /nfs/dbraw/zinc/29/33/28/563293328.db2.gz BFGKMEZYPPJWNA-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO c1ccc(COc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000001226201 563380409 /nfs/dbraw/zinc/38/04/09/563380409.db2.gz DHGHDLRMOGDQNY-UHFFFAOYSA-N 1 0 329.443 4.824 50 0 EJAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccc(F)cc1)c1ccco1 ZINC000002407363 563432014 /nfs/dbraw/zinc/43/20/14/563432014.db2.gz QUHRQQMZKRQEOB-IBGZPJMESA-N 1 0 339.410 4.739 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1F ZINC000002514527 563435248 /nfs/dbraw/zinc/43/52/48/563435248.db2.gz FBUYXNTVMDKDJH-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000002514577 563435576 /nfs/dbraw/zinc/43/55/76/563435576.db2.gz UUPZRPZSDNQHGA-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1C(F)(F)F ZINC000002514576 563435593 /nfs/dbraw/zinc/43/55/93/563435593.db2.gz GUADOJBUEIFHMF-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1Cl ZINC000002515026 563435875 /nfs/dbraw/zinc/43/58/75/563435875.db2.gz BTZUMFDJTXQZGN-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(Cl)cc1Cl ZINC000002514918 563435881 /nfs/dbraw/zinc/43/58/81/563435881.db2.gz YPICIHATXUBENM-UHFFFAOYSA-N 1 0 332.230 4.596 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000002515085 563436377 /nfs/dbraw/zinc/43/63/77/563436377.db2.gz WFLLLHAFLPJWHN-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO O=C(c1ccc(Cl)cc1F)c1ccccc1C[NH+]1CCCCC1 ZINC000002515525 563436743 /nfs/dbraw/zinc/43/67/43/563436743.db2.gz REWJDBLAUVVKSG-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO Clc1ccccc1OCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002881460 563461124 /nfs/dbraw/zinc/46/11/24/563461124.db2.gz CADSXVMDSDKRRH-UHFFFAOYSA-N 1 0 329.871 4.674 50 0 EJAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OC1CCCC1 ZINC000002884177 563461509 /nfs/dbraw/zinc/46/15/09/563461509.db2.gz WHFZIDDHKSBPSC-UHFFFAOYSA-N 1 0 325.452 4.697 50 0 EJAARO Brc1c(OCCC[NH+]2CCCCC2)ccc2ccccc21 ZINC000003002251 563469157 /nfs/dbraw/zinc/46/91/57/563469157.db2.gz JQSXEGBSIANEPF-UHFFFAOYSA-N 1 0 348.284 4.857 50 0 EJAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C(C)(C)C)CC(C)C ZINC000071900965 563504722 /nfs/dbraw/zinc/50/47/22/563504722.db2.gz NXOQXGQHCFTKCJ-KRWDZBQOSA-N 1 0 347.547 4.862 50 0 EJAARO CC(=O)c1ccc(N2CC[NH+](C3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC000004981190 563517143 /nfs/dbraw/zinc/51/71/43/563517143.db2.gz KLCNIKLILHLHJV-UHFFFAOYSA-N 1 0 342.527 4.616 50 0 EJAARO C[NH+](C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1N ZINC000005328341 563526854 /nfs/dbraw/zinc/52/68/54/563526854.db2.gz JJAUMTXFZLAGOI-UHFFFAOYSA-N 1 0 326.387 4.500 50 0 EJAARO C[NH+](C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1NO ZINC000005668242 563544462 /nfs/dbraw/zinc/54/44/62/563544462.db2.gz UQUZACARYMVGCX-UHFFFAOYSA-N 1 0 342.386 4.719 50 0 EJAARO CC[NH+](CC)[C@H]1C(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000006783629 563586413 /nfs/dbraw/zinc/58/64/13/563586413.db2.gz VBMSIUSIEAGKMP-ZWKOTPCHSA-N 1 0 328.843 4.784 50 0 EJAARO CSc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000584904376 563602035 /nfs/dbraw/zinc/60/20/35/563602035.db2.gz TYNSPCQSRXPYIG-NHCUHLMSSA-N 1 0 344.568 4.637 50 0 EJAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccccc1 ZINC000008495507 563631166 /nfs/dbraw/zinc/63/11/66/563631166.db2.gz PDCCOTBOASCRAX-UHFFFAOYSA-N 1 0 347.458 4.607 50 0 EJAARO CC(C)(C)c1cc(Nc2cc[nH+]cc2)n2ncc(-c3ccccc3)c2n1 ZINC000008657902 563634676 /nfs/dbraw/zinc/63/46/76/563634676.db2.gz MQTSFEBDZIHFFB-UHFFFAOYSA-N 1 0 343.434 4.832 50 0 EJAARO Cc1ccc2c(c1)c(/C=C\c1cc[n+](C)cc1)cn2Cc1ccccc1 ZINC000008741333 563638840 /nfs/dbraw/zinc/63/88/40/563638840.db2.gz NJCUXLMNSHSIHC-UHFFFAOYSA-N 1 0 339.462 4.993 50 0 EJAARO Cc1c([C@H](C)[NH2+]Cc2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000012710095 563668307 /nfs/dbraw/zinc/66/83/07/563668307.db2.gz BCMIAPXOEBTJCQ-AWEZNQCLSA-N 1 0 325.843 4.685 50 0 EJAARO COc1cc(C[N@H+](C)[C@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000032751337 563724522 /nfs/dbraw/zinc/72/45/22/563724522.db2.gz TVLSPUUKQVLXNZ-KRWDZBQOSA-N 1 0 347.405 4.806 50 0 EJAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000014980557 563769947 /nfs/dbraw/zinc/76/99/47/563769947.db2.gz GWTHKUPYTCJEFB-HNNXBMFYSA-N 1 0 345.533 4.873 50 0 EJAARO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000015000829 563770911 /nfs/dbraw/zinc/77/09/11/563770911.db2.gz DQJXOESVADDRJG-HNNXBMFYSA-N 1 0 341.842 4.703 50 0 EJAARO CCOc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 ZINC000015974045 563801176 /nfs/dbraw/zinc/80/11/76/563801176.db2.gz RYGOLMQJSCPBKD-UHFFFAOYSA-N 1 0 333.455 4.557 50 0 EJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc2ccccc21 ZINC000016783937 563824073 /nfs/dbraw/zinc/82/40/73/563824073.db2.gz ANLBTURZLLKVSH-UHFFFAOYSA-N 1 0 346.474 4.612 50 0 EJAARO Clc1ccc(-c2c[n+](Cc3cccc(Cl)c3)c3n2CCC3)cc1 ZINC000017015130 563828346 /nfs/dbraw/zinc/82/83/46/563828346.db2.gz AEQPYWIYUWJLGZ-UHFFFAOYSA-N 1 0 344.265 4.744 50 0 EJAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc3ccccc3o2)cc1 ZINC000024339843 563870769 /nfs/dbraw/zinc/87/07/69/563870769.db2.gz WKIXYSVEHALTBF-LJQANCHMSA-N 1 0 336.435 4.954 50 0 EJAARO C[NH2+]Cc1ccc(Br)cc1Oc1cccc(Cl)c1 ZINC000034664677 563873794 /nfs/dbraw/zinc/87/37/94/563873794.db2.gz VFHGRQVRODJHMO-UHFFFAOYSA-N 1 0 326.621 4.614 50 0 EJAARO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCCc2ccccc21 ZINC000028966316 563904921 /nfs/dbraw/zinc/90/49/21/563904921.db2.gz VPNVXLZXHNKVBK-HXUWFJFHSA-N 1 0 336.410 4.990 50 0 EJAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000030543933 563909935 /nfs/dbraw/zinc/90/99/35/563909935.db2.gz VZNFAOSVKUCIJZ-QHCPKHFHSA-N 1 0 344.458 4.828 50 0 EJAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc(OC)c1 ZINC000033087274 563915043 /nfs/dbraw/zinc/91/50/43/563915043.db2.gz DNWOAMLDSUWNHC-GOSISDBHSA-N 1 0 331.481 4.883 50 0 EJAARO COc1ccc(CC[N@H+](C)C2CCC(C(C)(C)C)CC2)cc1OC ZINC000004989224 563919049 /nfs/dbraw/zinc/91/90/49/563919049.db2.gz PVAFDXYOJDQLEI-UHFFFAOYSA-N 1 0 333.516 4.783 50 0 EJAARO Clc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000253489406 563919862 /nfs/dbraw/zinc/91/98/62/563919862.db2.gz FDDGVKWNNYKGKF-PMACEKPBSA-N 1 0 332.919 4.569 50 0 EJAARO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000042773733 563924948 /nfs/dbraw/zinc/92/49/48/563924948.db2.gz USYXJFDCWJZBIC-QGZVFWFLSA-N 1 0 329.871 4.699 50 0 EJAARO CC(C)([NH2+]Cc1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 ZINC000058111550 563937525 /nfs/dbraw/zinc/93/75/25/563937525.db2.gz ILAQUABJRAKAGY-UHFFFAOYSA-N 1 0 338.234 4.747 50 0 EJAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F ZINC000058160545 563938298 /nfs/dbraw/zinc/93/82/98/563938298.db2.gz RAXKHNASNHXVTP-MRXNPFEDSA-N 1 0 348.421 4.532 50 0 EJAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984491 563957452 /nfs/dbraw/zinc/95/74/52/563957452.db2.gz BCOHUCOTUQLXMZ-IBGZPJMESA-N 1 0 328.456 4.924 50 0 EJAARO CCn1cc([C@H](C)[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000284217908 563963208 /nfs/dbraw/zinc/96/32/08/563963208.db2.gz CNXMRGRJWMCECZ-LBPRGKRZSA-N 1 0 346.887 4.531 50 0 EJAARO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000071746815 563964973 /nfs/dbraw/zinc/96/49/73/563964973.db2.gz GPLUJSANTXLWRY-KRWDZBQOSA-N 1 0 348.412 4.945 50 0 EJAARO CC(C)Oc1ccc([C@@H](O)[C@@H](C)[NH2+]CCCCc2ccccc2)cc1 ZINC000071769679 563965626 /nfs/dbraw/zinc/96/56/26/563965626.db2.gz QDKRPNIRRVUUQY-GCJKJVERSA-N 1 0 341.495 4.508 50 0 EJAARO Cc1nnc(-c2ccc(-c3ccc([C@H](C)[NH+]4CCCC4)cc3)cc2)o1 ZINC000096150786 563979668 /nfs/dbraw/zinc/97/96/68/563979668.db2.gz BHUBJMAKFPHXLA-HNNXBMFYSA-N 1 0 333.435 4.869 50 0 EJAARO Cc1ccc(C)c(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000000261482 563989661 /nfs/dbraw/zinc/98/96/61/563989661.db2.gz ZIQWGJZUQNWYCV-UHFFFAOYSA-N 1 0 347.572 4.583 50 0 EJAARO Cc1cncc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000408514354 563992839 /nfs/dbraw/zinc/99/28/39/563992839.db2.gz ZKDZSGMHWPBTFS-FQEVSTJZSA-N 1 0 337.854 4.512 50 0 EJAARO Clc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1Cl ZINC000017310119 564011616 /nfs/dbraw/zinc/01/16/16/564011616.db2.gz FSPJHMHVYCLVPF-UHFFFAOYSA-N 1 0 333.218 4.938 50 0 EJAARO C[NH+](C)Cc1cccc(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000047460251 564026315 /nfs/dbraw/zinc/02/63/15/564026315.db2.gz QFLVUWCVTMKGTD-UHFFFAOYSA-N 1 0 336.460 4.729 50 0 EJAARO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000048265092 564030381 /nfs/dbraw/zinc/03/03/81/564030381.db2.gz BBZBWIFLVTWNSB-INIZCTEOSA-N 1 0 346.521 4.636 50 0 EJAARO c1ccc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)cc1 ZINC000048285641 564030665 /nfs/dbraw/zinc/03/06/65/564030665.db2.gz DQVRQCHEVYSMOE-UHFFFAOYSA-N 1 0 331.463 4.515 50 0 EJAARO CCCCc1ccc([C@H]([NH2+]Cc2cnn(C)c2)c2cccs2)cc1 ZINC000048314522 564030855 /nfs/dbraw/zinc/03/08/55/564030855.db2.gz ZZWNAQIUBLVIJB-FQEVSTJZSA-N 1 0 339.508 4.703 50 0 EJAARO Cc1ccc(Cn2c[n+](Cc3cccc(C)c3)c3ccccc32)cc1 ZINC000252493467 564053479 /nfs/dbraw/zinc/05/34/79/564053479.db2.gz NCSNVMGAVRTHRZ-UHFFFAOYSA-N 1 0 327.451 4.642 50 0 EJAARO COc1ccc2cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)ccc2c1 ZINC000025361187 564054272 /nfs/dbraw/zinc/05/42/72/564054272.db2.gz IYYNWCXOEYOZEV-CYBMUJFWSA-N 1 0 327.374 4.977 50 0 EJAARO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 ZINC000003476763 564059789 /nfs/dbraw/zinc/05/97/89/564059789.db2.gz AOFYTWRPMZATHC-ZHRRBRCNSA-N 1 0 344.458 4.834 50 0 EJAARO Cn1c2ccccc2nc1C[N@H+](C)C1CCC(c2ccccc2)CC1 ZINC000084314011 564067780 /nfs/dbraw/zinc/06/77/80/564067780.db2.gz XHXVLXGXYJFHHL-UHFFFAOYSA-N 1 0 333.479 4.732 50 0 EJAARO Fc1cccc(Cl)c1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000084339050 564067842 /nfs/dbraw/zinc/06/78/42/564067842.db2.gz REMJKHHGULBGJE-UHFFFAOYSA-N 1 0 343.833 4.735 50 0 EJAARO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(F)cc3cccnc32)c1 ZINC000084372409 564067988 /nfs/dbraw/zinc/06/79/88/564067988.db2.gz WWLQFPMMNQGYPR-FQEVSTJZSA-N 1 0 338.401 4.720 50 0 EJAARO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000012767382 564068265 /nfs/dbraw/zinc/06/82/65/564068265.db2.gz YZPQRRYNVAHOEH-QZTJIDSGSA-N 1 0 346.474 4.538 50 0 EJAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1OC ZINC000015837212 564076448 /nfs/dbraw/zinc/07/64/48/564076448.db2.gz JVBARIVNGWWIBS-LJQANCHMSA-N 1 0 343.442 4.960 50 0 EJAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1OC ZINC000015837215 564076503 /nfs/dbraw/zinc/07/65/03/564076503.db2.gz JVBARIVNGWWIBS-IBGZPJMESA-N 1 0 343.442 4.960 50 0 EJAARO CC(C)[C@@H]1C[C@@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1 ZINC000001774073 564087465 /nfs/dbraw/zinc/08/74/65/564087465.db2.gz UMCUDUUEJCLEGK-SFTDATJTSA-N 1 0 327.468 4.532 50 0 biogenic EJAARO CC(C)[C@H]1C[C@@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1 ZINC000001774071 564087481 /nfs/dbraw/zinc/08/74/81/564087481.db2.gz UMCUDUUEJCLEGK-RTWAWAEBSA-N 1 0 327.468 4.532 50 0 biogenic EJAARO CC(C)CCN1C(=O)c2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000239203321 564088011 /nfs/dbraw/zinc/08/80/11/564088011.db2.gz SDCUDEZNTYGSGW-XNFNUYLZSA-N 1 0 328.500 4.601 50 0 EJAARO CC(C)[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000239402512 564088100 /nfs/dbraw/zinc/08/81/00/564088100.db2.gz QTCCWCRPTWVSSV-XZAVUURCSA-N 1 0 337.507 5.074 50 0 EJAARO C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000092769335 564089103 /nfs/dbraw/zinc/08/91/03/564089103.db2.gz IAUZZTXZEUXUMU-QLJPJBMISA-N 1 0 328.214 4.517 50 0 EJAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000252427614 564089355 /nfs/dbraw/zinc/08/93/55/564089355.db2.gz VHWZMUZKFCGALN-WOJBJXKFSA-N 1 0 332.919 4.569 50 0 EJAARO O=[N+]1C(c2ccc(Oc3ccccc3)cc2)=CN(O)[C@H]2CCCC[C@H]21 ZINC000261190514 564089978 /nfs/dbraw/zinc/08/99/78/564089978.db2.gz YYQMQAMHCREBFZ-RBUKOAKNSA-N 1 0 337.399 4.572 50 0 EJAARO CC(C)[NH+](CCOC(=O)[C@@H](c1cccs1)[C@@H]1C=CCCC1)C(C)C ZINC000033639063 564093040 /nfs/dbraw/zinc/09/30/40/564093040.db2.gz QTMYUJVVJGBKNX-IEBWSBKVSA-N 1 0 349.540 4.850 50 0 EJAARO Cc1c2cc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)ccc2[nH]c1CO ZINC000426399423 564093627 /nfs/dbraw/zinc/09/36/27/564093627.db2.gz ODCZZYMJVIAGQO-INIZCTEOSA-N 1 0 334.463 4.792 50 0 EJAARO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000006841314 564099368 /nfs/dbraw/zinc/09/93/68/564099368.db2.gz FEQFRLZEPJCXTE-SJLPKXTDSA-N 1 0 338.495 4.968 50 0 EJAARO CC(C)[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cc2ccccc2o1 ZINC000170066034 564105179 /nfs/dbraw/zinc/10/51/79/564105179.db2.gz KPLQFLFKLDPIEF-OPAMFIHVSA-N 1 0 348.446 4.846 50 0 EJAARO C[NH+](C)CCCN=c1cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000238881681 564105592 /nfs/dbraw/zinc/10/55/92/564105592.db2.gz AXNJKVXDLMYBNG-UHFFFAOYSA-N 1 0 340.854 4.606 50 0 EJAARO CCCCC[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000007378831 564107111 /nfs/dbraw/zinc/10/71/11/564107111.db2.gz LYFOUDWFPIKTPW-HXUWFJFHSA-N 1 0 340.467 4.545 50 0 EJAARO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCCCCC2)c1 ZINC000007377992 564107131 /nfs/dbraw/zinc/10/71/31/564107131.db2.gz GYGIQUSJQTVWIS-NRFANRHFSA-N 1 0 336.479 4.859 50 0 EJAARO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606859 564109600 /nfs/dbraw/zinc/10/96/00/564109600.db2.gz RDXJWDYYYVGSKU-OPAMFIHVSA-N 1 0 347.437 4.866 50 0 EJAARO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000007538556 564109943 /nfs/dbraw/zinc/10/99/43/564109943.db2.gz QUXMBCQIXLQECP-STQMWFEESA-N 1 0 326.827 4.743 50 0 EJAARO C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1ccsc1 ZINC000252077333 564116427 /nfs/dbraw/zinc/11/64/27/564116427.db2.gz DFNQUPKLYPIEHV-BBRMVZONSA-N 1 0 325.437 4.696 50 0 EJAARO c1ccc([C@@H]2[NH2+][C@@H]3c4ccccc4OC[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000252428150 564118382 /nfs/dbraw/zinc/11/83/82/564118382.db2.gz RCYAVNHQXWBEAI-XXTHSBEZSA-N 1 0 327.427 4.865 50 0 EJAARO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 ZINC000027222707 564119325 /nfs/dbraw/zinc/11/93/25/564119325.db2.gz UCVNIRADDIMHBM-JOCHJYFZSA-N 1 0 345.490 4.715 50 0 EJAARO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000007654080 564121569 /nfs/dbraw/zinc/12/15/69/564121569.db2.gz FTLSGFLBFISHGF-LVCYWYKZSA-N 1 0 336.479 4.653 50 0 EJAARO Fc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000095941412 564142071 /nfs/dbraw/zinc/14/20/71/564142071.db2.gz WDOMUAALMGFFED-JKSUJKDBSA-N 1 0 342.439 4.968 50 0 EJAARO CC(C)OCCC[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000095961356 564142759 /nfs/dbraw/zinc/14/27/59/564142759.db2.gz HHMZRZFLBGNWBL-SFHVURJKSA-N 1 0 343.515 4.612 50 0 EJAARO CC[C@H]([NH2+][C@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 ZINC000095967881 564143052 /nfs/dbraw/zinc/14/30/52/564143052.db2.gz JZVARWKCSFVUCT-BEFAXECRSA-N 1 0 325.456 4.600 50 0 EJAARO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)c3c(C)noc3C)oc21 ZINC000095988123 564144070 /nfs/dbraw/zinc/14/40/70/564144070.db2.gz IDCMKNZMXZBYAQ-VXGBXAGGSA-N 1 0 328.412 4.501 50 0 EJAARO CCCC[C@@]1(CC[NH2+][C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 ZINC000096116122 564145460 /nfs/dbraw/zinc/14/54/60/564145460.db2.gz QDPMBWGVEAFXML-FXAWDEMLSA-N 1 0 325.537 4.689 50 0 biogenic EJAARO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)cc1NC(C)=O ZINC000096476495 564148410 /nfs/dbraw/zinc/14/84/10/564148410.db2.gz GNXZAMQTLRWCFV-STQMWFEESA-N 1 0 346.496 4.744 50 0 EJAARO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3ccc(Cl)cc3)c2cc1C ZINC000057553985 564154927 /nfs/dbraw/zinc/15/49/27/564154927.db2.gz ZHZQEWZNRYAAFW-CQSZACIVSA-N 1 0 341.838 4.914 50 0 EJAARO Clc1ccc(N2CC[NH+](Cc3csc4c3CCCC4)CC2)cc1 ZINC000057992711 564157061 /nfs/dbraw/zinc/15/70/61/564157061.db2.gz ZNLURPLZCBBUJA-UHFFFAOYSA-N 1 0 346.927 4.603 50 0 EJAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000058160713 564157852 /nfs/dbraw/zinc/15/78/52/564157852.db2.gz XKLYXBCXPBHGGD-NEPJUHHUSA-N 1 0 337.250 4.671 50 0 EJAARO CC1(C)C[C@](CC[NH2+]Cc2ccco2)(c2ccc(Cl)cc2)CCO1 ZINC000032072993 564160620 /nfs/dbraw/zinc/16/06/20/564160620.db2.gz QOIAKYBHRQRYHO-HXUWFJFHSA-N 1 0 347.886 4.940 50 0 EJAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1cccs1)c1ccccc1 ZINC000032093805 564160702 /nfs/dbraw/zinc/16/07/02/564160702.db2.gz PHVYRZUFYKXMPO-GHTZIAJQSA-N 1 0 343.536 4.991 50 0 EJAARO CCCCc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717217 564166714 /nfs/dbraw/zinc/16/67/14/564166714.db2.gz CJSVSYJFVMRQGC-OAHLLOKOSA-N 1 0 326.484 4.823 50 0 EJAARO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008717151 564166717 /nfs/dbraw/zinc/16/67/17/564166717.db2.gz JDAJGBCUPYUTTE-UHFFFAOYSA-N 1 0 340.854 4.843 50 0 EJAARO Cc1cc(-n2c(C)cc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)c2C)no1 ZINC000009366322 564173000 /nfs/dbraw/zinc/17/30/00/564173000.db2.gz WMTOCMHLYAHUEM-ZDUSSCGKSA-N 1 0 345.393 4.520 50 0 EJAARO COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000072309101 568415171 /nfs/dbraw/zinc/41/51/71/568415171.db2.gz ZUJHOXBTSAZDJK-WBVHZDCISA-N 1 0 336.435 4.777 50 0 EJAARO COCC[N@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1ccc(C)cc1 ZINC000055166509 214281260 /nfs/dbraw/zinc/28/12/60/214281260.db2.gz IWJMUOXEGGSOQO-LJQANCHMSA-N 1 0 345.508 4.557 50 0 EJAARO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](c2ccnc(-c3cccnc3)c2)C1 ZINC000065407497 214898574 /nfs/dbraw/zinc/89/85/74/214898574.db2.gz AUVHVPSRGIEXGK-FQEVSTJZSA-N 1 0 347.437 4.581 50 0 EJAARO C[N@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCCCC1 ZINC000003430021 210037823 /nfs/dbraw/zinc/03/78/23/210037823.db2.gz ZZXRTLMRIDVVMU-UHFFFAOYSA-N 1 0 349.689 4.850 50 0 EJAARO CC(C)CCC[C@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000003418376 210034691 /nfs/dbraw/zinc/03/46/91/210034691.db2.gz ODGZLHOIZGXATR-ZFWWWQNUSA-N 1 0 348.314 4.538 50 0 EJAARO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCCCCC2)cc1 ZINC000003354454 210016984 /nfs/dbraw/zinc/01/69/84/210016984.db2.gz HPZLTLBIDNOKFX-OAQYLSRUSA-N 1 0 336.479 4.941 50 0 EJAARO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cc2ccccc2)c1 ZINC000042773742 213532548 /nfs/dbraw/zinc/53/25/48/213532548.db2.gz QIIMPOHSZMOSOV-LJQANCHMSA-N 1 0 329.871 4.842 50 0 EJAARO COc1cc(Oc2ccnc3ccccc32)ccc1C[NH+]1CCCC1 ZINC000067881436 215239565 /nfs/dbraw/zinc/23/95/65/215239565.db2.gz ORWXAPXXYYLCPF-UHFFFAOYSA-N 1 0 334.419 4.632 50 0 EJAARO O=C(c1ccc(Cl)cc1Cl)c1ccccc1C[NH+]1CCCC1 ZINC000002515581 209861631 /nfs/dbraw/zinc/86/16/31/209861631.db2.gz AVFDQAJRTXJNOJ-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020175685 202035659 /nfs/dbraw/zinc/03/56/59/202035659.db2.gz JRRSVYIVCLCOAH-UHFFFAOYSA-N 1 0 345.870 4.878 50 0 EJAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1c(F)cccc1Cl ZINC000027142476 202153066 /nfs/dbraw/zinc/15/30/66/202153066.db2.gz INPXLZSYAAHPCY-UHFFFAOYSA-N 1 0 346.833 4.717 50 0 EJAARO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1Br ZINC000037105976 213133543 /nfs/dbraw/zinc/13/35/43/213133543.db2.gz DHYHUZYNEYWXPK-VXGBXAGGSA-N 1 0 338.245 4.771 50 0 EJAARO CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036098993 213065659 /nfs/dbraw/zinc/06/56/59/213065659.db2.gz OPZMCQRUYZSBLY-OAQYLSRUSA-N 1 0 329.459 4.606 50 0 EJAARO COc1ccc(C[N@H+](Cc2cc(F)cc3cccnc32)C2CC2)cc1 ZINC000032825213 202236325 /nfs/dbraw/zinc/23/63/25/202236325.db2.gz FGIPNOMUVOJXCC-UHFFFAOYSA-N 1 0 336.410 4.547 50 0 EJAARO COc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccco2)cc1 ZINC000002154698 201358962 /nfs/dbraw/zinc/35/89/62/201358962.db2.gz MCKSLWVUZLNLJF-FQEVSTJZSA-N 1 0 335.447 4.794 50 0 biogenic EJAARO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000022197560 212281378 /nfs/dbraw/zinc/28/13/78/212281378.db2.gz REBGJNICRNGQDK-UHFFFAOYSA-N 1 0 329.271 4.587 50 0 EJAARO C[N@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cccc2cnccc21 ZINC000215530435 241130949 /nfs/dbraw/zinc/13/09/49/241130949.db2.gz SPHCLFYQFHUQPG-HXUWFJFHSA-N 1 0 336.435 4.701 50 0 EJAARO C[C@H](c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1)[NH+]1CCCCC1 ZINC000215661985 241136363 /nfs/dbraw/zinc/13/63/63/241136363.db2.gz WZFQLAOVACZDBN-GOSISDBHSA-N 1 0 346.478 4.540 50 0 EJAARO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021720313 212244584 /nfs/dbraw/zinc/24/45/84/212244584.db2.gz OYCAJFUOQZHAEY-LJQANCHMSA-N 1 0 328.456 4.807 50 0 EJAARO COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000229382070 242159205 /nfs/dbraw/zinc/15/92/05/242159205.db2.gz ZUJHOXBTSAZDJK-NVXWUHKLSA-N 1 0 336.435 4.777 50 0 EJAARO CC(C)[C@@](O)(c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868856 212180542 /nfs/dbraw/zinc/18/05/42/212180542.db2.gz GIDTWQNIWJDQIL-XZOQPEGZSA-N 1 0 337.507 4.800 50 0 EJAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000020876055 212182193 /nfs/dbraw/zinc/18/21/93/212182193.db2.gz VNINPGOTSDDRKY-UHFFFAOYSA-N 1 0 341.838 4.941 50 0 EJAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(C)cc1 ZINC000020874279 212179820 /nfs/dbraw/zinc/17/98/20/212179820.db2.gz SXUDDBIMTFPNBU-UHFFFAOYSA-N 1 0 327.468 4.861 50 0 EJAARO CC1CCC(OC[n+]2cn(Cc3ccccc3)c3ccccc32)CC1 ZINC000252498386 243817870 /nfs/dbraw/zinc/81/78/70/243817870.db2.gz RAUYGGBBRBCVAB-UHFFFAOYSA-N 1 0 335.471 4.530 50 0 EJAARO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000071746816 203104783 /nfs/dbraw/zinc/10/47/83/203104783.db2.gz GPLUJSANTXLWRY-QGZVFWFLSA-N 1 0 348.412 4.945 50 0 EJAARO c1cn(C[C@@H](c2ccccc2)[NH+]2CCCCCC2)c(-c2cccnc2)n1 ZINC000071747019 203106528 /nfs/dbraw/zinc/10/65/28/203106528.db2.gz JWVCZFJLQHSLCT-NRFANRHFSA-N 1 0 346.478 4.562 50 0 EJAARO Cc1c2ccccc2sc1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020421702 212127942 /nfs/dbraw/zinc/12/79/42/212127942.db2.gz IKJCPQYJMXTJKJ-UHFFFAOYSA-N 1 0 336.504 4.528 50 0 EJAARO Oc1cccc(C[NH2+]C[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000071831321 203123206 /nfs/dbraw/zinc/12/32/06/203123206.db2.gz CDPXSKLJYAPQGV-LJQANCHMSA-N 1 0 348.471 4.857 50 0 EJAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1F ZINC000072283567 203191464 /nfs/dbraw/zinc/19/14/64/203191464.db2.gz WZJIFIZKGMSEFL-UHFFFAOYSA-N 1 0 346.789 4.539 50 0 EJAARO c1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019359485 212021174 /nfs/dbraw/zinc/02/11/74/212021174.db2.gz KUAJKNGLESWEFE-UHFFFAOYSA-N 1 0 342.486 4.594 50 0 EJAARO CC[NH+]1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 ZINC000014980078 211783070 /nfs/dbraw/zinc/78/30/70/211783070.db2.gz HKPPSONUJRZLIJ-UHFFFAOYSA-N 1 0 347.462 4.505 50 0 EJAARO Fc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000000757584 206252345 /nfs/dbraw/zinc/25/23/45/206252345.db2.gz CRHHGCIMHLRNLU-UHFFFAOYSA-N 1 0 332.850 4.598 50 0 EJAARO c1cn2c(C[N@@H+]3CCc4ccccc4C3)c(-c3ccccc3)nc2s1 ZINC000012485707 211392886 /nfs/dbraw/zinc/39/28/86/211392886.db2.gz ITUPFJYWYINUDQ-UHFFFAOYSA-N 1 0 345.471 4.621 50 0 EJAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](C2CCCC2)CC1 ZINC000012465663 211390651 /nfs/dbraw/zinc/39/06/51/211390651.db2.gz HFTYZLAWHVLZCM-UHFFFAOYSA-N 1 0 343.511 4.597 50 0 EJAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000012439395 211381200 /nfs/dbraw/zinc/38/12/00/211381200.db2.gz MHTKVKXIRZZGTA-IBGZPJMESA-N 1 0 345.442 4.626 50 0 EJAARO CC(C)(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000012098151 211291633 /nfs/dbraw/zinc/29/16/33/211291633.db2.gz XJXPPIYWHBZEGX-ZDUSSCGKSA-N 1 0 333.426 4.580 50 0 EJAARO CCc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(OC)cc3)c2C)cc1 ZINC000011879999 211265091 /nfs/dbraw/zinc/26/50/91/211265091.db2.gz PCNOLOYBJADENA-INIZCTEOSA-N 1 0 349.478 4.603 50 0 EJAARO CCCC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 ZINC000009659354 211111909 /nfs/dbraw/zinc/11/19/09/211111909.db2.gz BAEHIFDGFKNAKZ-UTKZUKDTSA-N 1 0 336.479 4.552 50 0 EJAARO CC(C)[C@@H]1C[C@@](CC[NH2+]Cc2ccco2)(Cc2ccccc2)CCO1 ZINC000009047502 211033975 /nfs/dbraw/zinc/03/39/75/211033975.db2.gz FTYLBMAHZDXPAM-FCHUYYIVSA-N 1 0 341.495 4.823 50 0 EJAARO COc1cccc2cc([C@@H](C)[NH2+][C@H](C)c3cnn(C(C)C)c3)oc21 ZINC000095419645 218359897 /nfs/dbraw/zinc/35/98/97/218359897.db2.gz UZSGHLDVSSPDNI-ZIAGYGMSSA-N 1 0 327.428 4.631 50 0 EJAARO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2C)cc1NC(C)=O ZINC000095422537 218364760 /nfs/dbraw/zinc/36/47/60/218364760.db2.gz IUMXWCJVOKGQAQ-JKSUJKDBSA-N 1 0 340.467 4.682 50 0 EJAARO C[C@H]([NH2+][C@@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000095423498 218365882 /nfs/dbraw/zinc/36/58/82/218365882.db2.gz GNTTXLPMWGIIQE-WSONZKGWSA-N 1 0 349.446 4.504 50 0 EJAARO CCS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000095444378 218389389 /nfs/dbraw/zinc/38/93/89/218389389.db2.gz IAJBWDLSSIBMSE-ZMLRMANQSA-N 1 0 333.328 4.900 50 0 EJAARO Cc1ccc(-c2cn3c([n+]2-c2ccccc2)CCc2ccccc2-3)cc1 ZINC000005740442 210528559 /nfs/dbraw/zinc/52/85/59/210528559.db2.gz MMKXOWWZWFUIDO-UHFFFAOYSA-N 1 0 337.446 4.828 50 0 EJAARO COc1cc2c(cc1OC)C[N@@H+](C1CCC(C(C)(C)C)CC1)CC2 ZINC000004989239 210351428 /nfs/dbraw/zinc/35/14/28/210351428.db2.gz RBCLLSOCIVWIDF-UHFFFAOYSA-N 1 0 331.500 4.667 50 0 EJAARO Clc1ccccc1COc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000004842994 210296082 /nfs/dbraw/zinc/29/60/82/210296082.db2.gz WIRASXJIUCCKIN-UHFFFAOYSA-N 1 0 327.811 4.802 50 0 EJAARO COc1cccc(OC)c1OCCCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004836885 210293374 /nfs/dbraw/zinc/29/33/74/210293374.db2.gz BPLNDHPQMGBONF-ROUUACIJSA-N 1 0 349.515 4.621 50 0 EJAARO CC[NH+]1CCC(NCc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000057681659 258061737 /nfs/dbraw/zinc/06/17/37/258061737.db2.gz VGWIILDNAVFSML-UHFFFAOYSA-N 1 0 344.886 4.706 50 0 EJAARO Cc1ccccc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000057574451 258061791 /nfs/dbraw/zinc/06/17/91/258061791.db2.gz HRPNJGAIADJNEN-LJQANCHMSA-N 1 0 330.859 4.574 50 0 EJAARO Clc1cccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000055543892 132196233 /nfs/dbraw/zinc/19/62/33/132196233.db2.gz MMHWYTPPDFOODI-UHFFFAOYSA-N 1 0 336.866 4.815 50 0 EJAARO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)o2)cc1 ZINC000230145371 536495097 /nfs/dbraw/zinc/49/50/97/536495097.db2.gz HULCOLKOTPWQNK-CRAIPNDOSA-N 1 0 326.440 4.505 50 0 EJAARO CC[C@@H](C)c1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042770355 563924859 /nfs/dbraw/zinc/92/48/59/563924859.db2.gz JBAWDLHNCYDYOD-CYBMUJFWSA-N 1 0 340.305 4.731 50 0 EJAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(C)cc3)nc21 ZINC000000017119 563211481 /nfs/dbraw/zinc/21/14/81/563211481.db2.gz FLRIEBLDPDBTRS-UHFFFAOYSA-N 1 0 346.478 4.606 50 0 EJAARO COc1ccc(C(=O)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000000346090 563287725 /nfs/dbraw/zinc/28/77/25/563287725.db2.gz VDCMKHLWMWUXBT-NRFANRHFSA-N 1 0 337.463 4.538 50 0 EJAARO COc1ccc(C(=O)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000000346093 563287735 /nfs/dbraw/zinc/28/77/35/563287735.db2.gz VDCMKHLWMWUXBT-OAQYLSRUSA-N 1 0 337.463 4.538 50 0 EJAARO CCC(=O)c1ccc2c(c1)N(C[C@@H](C)[NH+](C)C)c1ccccc1S2 ZINC000000896849 563365911 /nfs/dbraw/zinc/36/59/11/563365911.db2.gz UVOIBTBFPOZKGP-CQSZACIVSA-N 1 0 340.492 4.832 50 0 world EJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCC(C(C)(C)C)CC1 ZINC000001304673 563383115 /nfs/dbraw/zinc/38/31/15/563383115.db2.gz LSVYUUDFHWHORL-UHFFFAOYSA-N 1 0 326.484 4.754 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000002515023 563435954 /nfs/dbraw/zinc/43/59/54/563435954.db2.gz AHKXKHXZHVVBTD-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO O=C(c1ccccc1C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000002515519 563436632 /nfs/dbraw/zinc/43/66/32/563436632.db2.gz IIAJCRVUDSFDJG-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO O=C(c1ccc(F)cc1Cl)c1ccccc1C[NH+]1CCCCC1 ZINC000002515523 563436640 /nfs/dbraw/zinc/43/66/40/563436640.db2.gz GMUXAHGCQFFDFP-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO Clc1ccc(SCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002845357 563454984 /nfs/dbraw/zinc/45/49/84/563454984.db2.gz RNXXMVAWNIQIAY-UHFFFAOYSA-N 1 0 347.911 4.507 50 0 EJAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cccc2ccccc21 ZINC000004122112 563495165 /nfs/dbraw/zinc/49/51/65/563495165.db2.gz NYFQBCCASKQTBR-HXUWFJFHSA-N 1 0 329.443 4.902 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000004703977 563508489 /nfs/dbraw/zinc/50/84/89/563508489.db2.gz RRDSWVUQYFQQBX-UHFFFAOYSA-N 1 0 328.843 4.578 50 0 EJAARO Cc1ccc2c(C[NH+]3CCC(Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000002238339 563544028 /nfs/dbraw/zinc/54/40/28/563544028.db2.gz ANXBKWLIELIIGL-UHFFFAOYSA-N 1 0 347.458 4.556 50 0 EJAARO Cc1c(-c2ccc(Cl)cc2)[nH+]c2ccccc2c1N1CCOCC1 ZINC000005678096 563545185 /nfs/dbraw/zinc/54/51/85/563545185.db2.gz MCAIAKIVDVYMBX-UHFFFAOYSA-N 1 0 338.838 4.700 50 0 EJAARO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc(C)c1Cl ZINC000005924882 563554340 /nfs/dbraw/zinc/55/43/40/563554340.db2.gz PPBDFZXKCALXBB-HNNXBMFYSA-N 1 0 341.923 4.501 50 0 EJAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c1 ZINC000007524481 563604424 /nfs/dbraw/zinc/60/44/24/563604424.db2.gz RKJHZYAGZPSYAU-LBPRGKRZSA-N 1 0 326.223 4.522 50 0 EJAARO Clc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1 ZINC000010315527 563646955 /nfs/dbraw/zinc/64/69/55/563646955.db2.gz LYYRYZOUDFVQCJ-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO Cn1cc(C[N@H+]2CC=C(c3ccccc3)CC2)c(-c2ccccc2F)n1 ZINC000012704669 563667865 /nfs/dbraw/zinc/66/78/65/563667865.db2.gz NHEXBJLFVKLLPR-UHFFFAOYSA-N 1 0 347.437 4.516 50 0 EJAARO O=C(CCC1CC[NH+](Cc2ccoc2)CC1)Nc1ccccc1Cl ZINC000012718845 563669452 /nfs/dbraw/zinc/66/94/52/563669452.db2.gz HLCCMHFMSBGTRA-UHFFFAOYSA-N 1 0 346.858 4.564 50 0 EJAARO CC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2ccc3ccccc3c2)c1C ZINC000014124181 563743089 /nfs/dbraw/zinc/74/30/89/563743089.db2.gz SCIIABVPOSOHJU-CQSZACIVSA-N 1 0 348.446 4.521 50 0 EJAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000014980263 563770093 /nfs/dbraw/zinc/77/00/93/563770093.db2.gz MOVVIBMPDJGUDW-KRWDZBQOSA-N 1 0 348.874 4.694 50 0 EJAARO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000014989298 563770488 /nfs/dbraw/zinc/77/04/88/563770488.db2.gz VRDVNYDDFBXMFB-FUHWJXTLSA-N 1 0 339.458 4.752 50 0 EJAARO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000015000826 563770889 /nfs/dbraw/zinc/77/08/89/563770889.db2.gz DQJXOESVADDRJG-OAHLLOKOSA-N 1 0 341.842 4.703 50 0 EJAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000015070300 563776048 /nfs/dbraw/zinc/77/60/48/563776048.db2.gz DZWWIQPQFQEWFE-LJQANCHMSA-N 1 0 349.453 4.904 50 0 EJAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000015070302 563776099 /nfs/dbraw/zinc/77/60/99/563776099.db2.gz DZWWIQPQFQEWFE-IBGZPJMESA-N 1 0 349.453 4.904 50 0 EJAARO Fc1ccc(COc2ccccc2C[NH2+]Cc2cccs2)cc1 ZINC000016449786 563811626 /nfs/dbraw/zinc/81/16/26/563811626.db2.gz RGFSQRSRKVZHRA-UHFFFAOYSA-N 1 0 327.424 4.756 50 0 EJAARO Clc1cccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019537580 563856155 /nfs/dbraw/zinc/85/61/55/563856155.db2.gz KQKPKQXJNNFTSB-UHFFFAOYSA-N 1 0 336.866 4.815 50 0 EJAARO Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)c(C[NH+](C)C)c1 ZINC000069844887 563859840 /nfs/dbraw/zinc/85/98/40/563859840.db2.gz PUQZCYSKJQHURU-UHFFFAOYSA-N 1 0 343.279 4.677 50 0 EJAARO COc1ccc(OC)c(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087292 563915048 /nfs/dbraw/zinc/91/50/48/563915048.db2.gz DGSIVZKCOSKQEJ-QGZVFWFLSA-N 1 0 331.481 4.883 50 0 EJAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000000949078 563917712 /nfs/dbraw/zinc/91/77/12/563917712.db2.gz ABXBWRLDZKQFIN-UHFFFAOYSA-N 1 0 347.462 4.740 50 0 EJAARO O[C@H](COCc1ccccc1)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000004819910 563918904 /nfs/dbraw/zinc/91/89/04/563918904.db2.gz DTEMPXLYQBOHLH-QFIPXVFZSA-N 1 0 345.527 4.532 50 0 EJAARO CCOc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000044124736 563926171 /nfs/dbraw/zinc/92/61/71/563926171.db2.gz VSQPBOQZBTWANL-OALUTQOASA-N 1 0 325.452 4.565 50 0 EJAARO CCc1cccc2c(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)c[nH]c21 ZINC000058160800 563938328 /nfs/dbraw/zinc/93/83/28/563938328.db2.gz KVPVOQIYZTYSHG-QGZVFWFLSA-N 1 0 338.476 4.812 50 0 EJAARO Cc1nc2ccccc2nc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000058377882 563944245 /nfs/dbraw/zinc/94/42/45/563944245.db2.gz XOHKRKZPHITJHX-UHFFFAOYSA-N 1 0 345.368 4.589 50 0 EJAARO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000096477352 563955029 /nfs/dbraw/zinc/95/50/29/563955029.db2.gz MDLAOYIMGBHMSF-KGLIPLIRSA-N 1 0 340.496 4.572 50 0 EJAARO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000096477346 563955085 /nfs/dbraw/zinc/95/50/85/563955085.db2.gz MDLAOYIMGBHMSF-KBPBESRZSA-N 1 0 340.496 4.572 50 0 EJAARO C[C@@H](c1cccc(-c2nc3ccccc3cc2CO)c1)[NH+]1CCCC1 ZINC000065462293 563961269 /nfs/dbraw/zinc/96/12/69/563961269.db2.gz GQHAZQYGKMUGPM-INIZCTEOSA-N 1 0 332.447 4.551 50 0 EJAARO FC(F)(F)c1ccccc1CC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000071738813 563964920 /nfs/dbraw/zinc/96/49/20/563964920.db2.gz ULYZWVAGBKJAQQ-INIZCTEOSA-N 1 0 348.412 4.945 50 0 EJAARO CC(C)Oc1ccc([C@H](O)[C@@H](C)[NH2+]CCCCc2ccccc2)cc1 ZINC000071769678 563965611 /nfs/dbraw/zinc/96/56/11/563965611.db2.gz QDKRPNIRRVUUQY-XMSQKQJNSA-N 1 0 341.495 4.508 50 0 EJAARO Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc2ccccc2c1 ZINC000060831491 563976247 /nfs/dbraw/zinc/97/62/47/563976247.db2.gz TURVLSMSGBJBAI-UHFFFAOYSA-N 1 0 329.447 4.678 50 0 EJAARO COc1cccc(OC)c1OCCCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004836886 563984205 /nfs/dbraw/zinc/98/42/05/563984205.db2.gz BPLNDHPQMGBONF-QZTJIDSGSA-N 1 0 349.515 4.621 50 0 EJAARO CCc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)oc1-c1ccccc1 ZINC000124979364 563995401 /nfs/dbraw/zinc/99/54/01/563995401.db2.gz NGCVTPQROISFPX-RGIVZKHGSA-N 1 0 340.467 4.512 50 0 EJAARO COc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)c(OC)c1 ZINC000000429737 563999063 /nfs/dbraw/zinc/99/90/63/563999063.db2.gz ZLZABSJAHKMVGS-UHFFFAOYSA-N 1 0 334.419 4.874 50 0 EJAARO Clc1cccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c1Cl ZINC000017310142 564011614 /nfs/dbraw/zinc/01/16/14/564011614.db2.gz LETPDHCBOUDDOJ-UHFFFAOYSA-N 1 0 333.218 4.938 50 0 EJAARO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000007652309 564015753 /nfs/dbraw/zinc/01/57/53/564015753.db2.gz XQVFAYFYLYCUCM-UHFFFAOYSA-N 1 0 347.458 4.607 50 0 EJAARO CCc1cc(C[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677853 564018131 /nfs/dbraw/zinc/01/81/31/564018131.db2.gz IQCPNCDUMCFCHJ-UHFFFAOYSA-N 1 0 328.481 4.549 50 0 EJAARO CC(C)CCN1C(=O)c2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000104130009 564023737 /nfs/dbraw/zinc/02/37/37/564023737.db2.gz SDCUDEZNTYGSGW-XAMWDVODSA-N 1 0 328.500 4.601 50 0 EJAARO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000108357143 564028126 /nfs/dbraw/zinc/02/81/26/564028126.db2.gz KRGBXPSUMSLGRE-DXMSMQRWSA-N 1 0 341.520 4.715 50 0 EJAARO Fc1ccc(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)cc1 ZINC000048309186 564030766 /nfs/dbraw/zinc/03/07/66/564030766.db2.gz ODFVIDSXLFGYLT-KRWDZBQOSA-N 1 0 342.439 4.749 50 0 EJAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2cccnc2)C(C)C)cc1 ZINC000006719180 564033392 /nfs/dbraw/zinc/03/33/92/564033392.db2.gz ZPTWQTPISARIRR-OAQYLSRUSA-N 1 0 326.484 4.788 50 0 EJAARO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1cccc2ccccc21 ZINC000024082713 564036423 /nfs/dbraw/zinc/03/64/23/564036423.db2.gz UFWYSGWVRTWTQO-SFHVURJKSA-N 1 0 341.458 4.935 50 0 EJAARO Cc1ccc(C[n+]2cn(Cc3ccccc3Cl)c3ccccc32)cc1 ZINC000252480089 564053353 /nfs/dbraw/zinc/05/33/53/564053353.db2.gz BURCXTUVXFNLNM-UHFFFAOYSA-N 1 0 347.869 4.987 50 0 EJAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012676797 564062579 /nfs/dbraw/zinc/06/25/79/564062579.db2.gz YOIFKBVZIUEIIB-KPZWWZAWSA-N 1 0 346.833 4.547 50 0 EJAARO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)no2)c1 ZINC000084560127 564068666 /nfs/dbraw/zinc/06/86/66/564068666.db2.gz MEPJOFXHAJUMIB-IBGZPJMESA-N 1 0 336.410 4.688 50 0 EJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)cc1 ZINC000015836993 564076426 /nfs/dbraw/zinc/07/64/26/564076426.db2.gz NSWQKOSXGMRGDI-OAQYLSRUSA-N 1 0 325.452 4.820 50 0 EJAARO CC[NH+](CC)CCNc1nc2cc(OC)ccc2cc1-c1ccccc1 ZINC000075274185 564081340 /nfs/dbraw/zinc/08/13/40/564081340.db2.gz FTHNDEIIPSOZDT-UHFFFAOYSA-N 1 0 349.478 4.664 50 0 EJAARO CCOC(=O)CCCCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000075284115 564081558 /nfs/dbraw/zinc/08/15/58/564081558.db2.gz PSPYLKNXEBXPCN-JOCHJYFZSA-N 1 0 339.479 4.798 50 0 EJAARO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000242284617 564088493 /nfs/dbraw/zinc/08/84/93/564088493.db2.gz YIDXPZFRIWKIBD-WFASDCNBSA-N 1 0 334.872 4.566 50 0 EJAARO O=[N+]1C(c2ccc(Oc3ccccc3)cc2)=CN(O)[C@@H]2CCCC[C@H]21 ZINC000261190516 564089952 /nfs/dbraw/zinc/08/99/52/564089952.db2.gz YYQMQAMHCREBFZ-RTBURBONSA-N 1 0 337.399 4.572 50 0 EJAARO CC(C)[NH+](CCOC(=O)[C@H](c1cccs1)[C@@H]1C=CCCC1)C(C)C ZINC000033639064 564093023 /nfs/dbraw/zinc/09/30/23/564093023.db2.gz QTMYUJVVJGBKNX-MJGOQNOKSA-N 1 0 349.540 4.850 50 0 EJAARO CC[C@H](C)c1ccc(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000002822755 564116974 /nfs/dbraw/zinc/11/69/74/564116974.db2.gz SWQCGVOTNGYYTN-OTWHNJEPSA-N 1 0 333.516 4.573 50 0 EJAARO C[C@H]1CCC[N@H+](CCCOc2ccc(Br)cc2Cl)C1 ZINC000002825082 564117004 /nfs/dbraw/zinc/11/70/04/564117004.db2.gz UXHDUFIOVXVIJL-LBPRGKRZSA-N 1 0 346.696 4.603 50 0 EJAARO C[C@@H]1CCC[N@H+](CCCOc2ccc(Br)cc2Cl)C1 ZINC000002825083 564117020 /nfs/dbraw/zinc/11/70/20/564117020.db2.gz UXHDUFIOVXVIJL-GFCCVEGCSA-N 1 0 346.696 4.603 50 0 EJAARO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc2ccccc21 ZINC000065876982 564121869 /nfs/dbraw/zinc/12/18/69/564121869.db2.gz BWHUJHKRJGWHPA-UHFFFAOYSA-N 1 0 344.458 4.730 50 0 EJAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 ZINC000095419575 564139852 /nfs/dbraw/zinc/13/98/52/564139852.db2.gz FOVCMWAWYAXQCN-KSFYIVLOSA-N 1 0 337.463 4.583 50 0 EJAARO CCc1noc(C2CCC([NH2+]Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000095466863 564141077 /nfs/dbraw/zinc/14/10/77/564141077.db2.gz GFUULYZHRIIKGK-UHFFFAOYSA-N 1 0 327.472 4.571 50 0 EJAARO CC(C)C[NH+]1CCC(N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000095967257 564143019 /nfs/dbraw/zinc/14/30/19/564143019.db2.gz VEDUATXGSKWVNV-FQEVSTJZSA-N 1 0 342.527 4.533 50 0 EJAARO COc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)c3c(C)noc3C)oc21 ZINC000095988122 564144022 /nfs/dbraw/zinc/14/40/22/564144022.db2.gz IDCMKNZMXZBYAQ-NWDGAFQWSA-N 1 0 328.412 4.501 50 0 EJAARO FC(F)(F)c1cccc(O[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000096027763 564145062 /nfs/dbraw/zinc/14/50/62/564145062.db2.gz QXBFSKMCWGOYSU-GOSISDBHSA-N 1 0 335.369 4.921 50 0 EJAARO CCc1c(C)scc1C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057992736 564157059 /nfs/dbraw/zinc/15/70/59/564157059.db2.gz DVAUSPZHOMLHMT-UHFFFAOYSA-N 1 0 348.943 4.903 50 0 EJAARO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)c2cc1C ZINC000008126309 564162884 /nfs/dbraw/zinc/16/28/84/564162884.db2.gz CJIWPGFHMAPSDC-OAQYLSRUSA-N 1 0 347.458 4.919 50 0 EJAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717511 564166786 /nfs/dbraw/zinc/16/67/86/564166786.db2.gz AINSRNZFWQCMGB-UHFFFAOYSA-N 1 0 343.515 4.717 50 0 EJAARO CCC[NH+](CCC)Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717389 564166820 /nfs/dbraw/zinc/16/68/20/564166820.db2.gz JYYAYIQSFPOYJM-UHFFFAOYSA-N 1 0 336.863 4.533 50 0 EJAARO C[N@H+](CCCSc1ccccc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055393235 214316608 /nfs/dbraw/zinc/31/66/08/214316608.db2.gz GXJSUVHDLHESJT-UHFFFAOYSA-N 1 0 340.414 4.715 50 0 EJAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000056851985 214391998 /nfs/dbraw/zinc/39/19/98/214391998.db2.gz LEASASBMIQNXAC-CVEARBPZSA-N 1 0 348.446 4.526 50 0 EJAARO CC[NH+](CC)CCOC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000004664829 210241331 /nfs/dbraw/zinc/24/13/31/210241331.db2.gz DOUWUYDOPACKAE-UHFFFAOYSA-N 1 0 333.516 4.780 50 0 EJAARO CC(=O)O[C@@]1(c2ccccc2)C[C@@H](C(C)(C)C)C[N@@H+](C(C)(C)C)C1 ZINC000004188291 210141544 /nfs/dbraw/zinc/14/15/44/210141544.db2.gz XENZICQEFWMILM-NQIIRXRSSA-N 1 0 331.500 4.612 50 0 EJAARO CC[C@@H](C)[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004073706 210113183 /nfs/dbraw/zinc/11/31/83/210113183.db2.gz BQRBPWDQFAYRAI-CYBMUJFWSA-N 1 0 338.278 4.617 50 0 EJAARO Cc1c(Cl)cccc1NC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013325226 201890968 /nfs/dbraw/zinc/89/09/68/201890968.db2.gz OUZNNXBIMBVIRF-UHFFFAOYSA-N 1 0 343.858 4.888 50 0 EJAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000003904908 210090612 /nfs/dbraw/zinc/09/06/12/210090612.db2.gz WNBGEAYOJFECOY-IXDOHACOSA-N 1 0 331.500 4.792 50 0 EJAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000003904911 210090019 /nfs/dbraw/zinc/09/00/19/210090019.db2.gz WNBGEAYOJFECOY-BRWVUGGUSA-N 1 0 331.500 4.792 50 0 EJAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1Cl ZINC000003314813 210004330 /nfs/dbraw/zinc/00/43/30/210004330.db2.gz ZJSORPWYRKFLDQ-XQQFMLRXSA-N 1 0 344.282 4.802 50 0 EJAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1ccc2ncccc2c1 ZINC000067654121 215176273 /nfs/dbraw/zinc/17/62/73/215176273.db2.gz DRHSZFBLGNKAJM-UHFFFAOYSA-N 1 0 334.419 4.632 50 0 EJAARO C/C=C/c1ccc(OCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000002825311 209923474 /nfs/dbraw/zinc/92/34/74/209923474.db2.gz XJPDXOUEONEOAM-XZQDKNRNSA-N 1 0 331.500 4.865 50 0 EJAARO CC[NH+](CC)CCN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000019635879 202015885 /nfs/dbraw/zinc/01/58/85/202015885.db2.gz SKPFUVZDQFUNQR-UHFFFAOYSA-N 1 0 348.575 4.761 50 0 EJAARO C[C@@H](O)C[NH2+]Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000039976524 213247949 /nfs/dbraw/zinc/24/79/49/213247949.db2.gz GERPRZSRWJFGGM-GOSISDBHSA-N 1 0 332.447 4.627 50 0 EJAARO C[C@@H](c1nc2ccccc2n1Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000039916904 213244102 /nfs/dbraw/zinc/24/41/02/213244102.db2.gz AGOGKTHUGYMEGG-HNNXBMFYSA-N 1 0 339.870 4.895 50 0 EJAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1 ZINC000019872538 202024371 /nfs/dbraw/zinc/02/43/71/202024371.db2.gz BPAJTQFKTYJJBD-SFHVURJKSA-N 1 0 345.801 4.562 50 0 EJAARO Cc1cc(C)c(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)cc1C ZINC000020783777 202054319 /nfs/dbraw/zinc/05/43/19/202054319.db2.gz XWKIVFFXDMUBPM-KRWDZBQOSA-N 1 0 346.478 4.623 50 0 EJAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCC[C@H](c2ccccc2C)C1 ZINC000020781408 202055204 /nfs/dbraw/zinc/05/52/04/202055204.db2.gz MAOCODXGGDWMAQ-KRWDZBQOSA-N 1 0 336.435 4.931 50 0 EJAARO Cc1cccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864909 202055850 /nfs/dbraw/zinc/05/58/50/202055850.db2.gz YZRCLSJHMHDABG-HXUWFJFHSA-N 1 0 334.488 4.919 50 0 EJAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2CC)cc1 ZINC000021720890 202069470 /nfs/dbraw/zinc/06/94/70/202069470.db2.gz DTDKEZZHZPPYOO-SFHVURJKSA-N 1 0 328.456 4.671 50 0 EJAARO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482632 202188170 /nfs/dbraw/zinc/18/81/70/202188170.db2.gz ZJDXLGCYHNUWIR-QGZVFWFLSA-N 1 0 349.261 4.551 50 0 EJAARO CCOc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036347747 213086627 /nfs/dbraw/zinc/08/66/27/213086627.db2.gz ODMZZAKTBBBATO-HSZRJFAPSA-N 1 0 346.474 4.882 50 0 EJAARO C[C@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1cccs1)c1ccccc1 ZINC000032093807 202221076 /nfs/dbraw/zinc/22/10/76/202221076.db2.gz PHVYRZUFYKXMPO-WIYYLYMNSA-N 1 0 343.536 4.991 50 0 EJAARO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1OC ZINC000033087258 202249486 /nfs/dbraw/zinc/24/94/86/202249486.db2.gz UNFPSEVGQWBERT-MRXNPFEDSA-N 1 0 331.481 4.883 50 0 EJAARO c1ccc([C@H]2CCCC[N@H+]2Cc2ccc(-c3cccnc3)cc2)nc1 ZINC000072120737 216013619 /nfs/dbraw/zinc/01/36/19/216013619.db2.gz CIJYUNDZWYMQKY-JOCHJYFZSA-N 1 0 329.447 4.871 50 0 EJAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000035511231 202305579 /nfs/dbraw/zinc/30/55/79/202305579.db2.gz HHHNBYOEYGWGLP-NRFANRHFSA-N 1 0 348.446 4.899 50 0 EJAARO Cc1c(-c2ccc(Cl)cc2)n2c([n+]1-c1ccccc1)SCCC2 ZINC000000264582 209511214 /nfs/dbraw/zinc/51/12/14/209511214.db2.gz AMZKBAVRPWMUNP-UHFFFAOYSA-N 1 0 341.887 4.889 50 0 EJAARO COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)c1OC ZINC000072670765 216289816 /nfs/dbraw/zinc/28/98/16/216289816.db2.gz SQKMQQFXRAJFEA-LLVKDONJSA-N 1 0 340.250 4.861 50 0 EJAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccco3)CCO[C@@H](C(C)C)C2)cc1 ZINC000001867328 201359519 /nfs/dbraw/zinc/35/95/19/201359519.db2.gz LWJUFUPLTBOXHQ-YADHBBJMSA-N 1 0 341.495 4.841 50 0 biogenic EJAARO O=c1c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)coc2ccc(Cl)cc21 ZINC000023282209 212365859 /nfs/dbraw/zinc/36/58/59/212365859.db2.gz UGFOCSQYKWFHRV-GUYCJALGSA-N 1 0 331.843 4.601 50 0 EJAARO CSc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)cc1 ZINC000023129131 212352213 /nfs/dbraw/zinc/35/22/13/212352213.db2.gz MSYAGRBZGGQPLK-QGZVFWFLSA-N 1 0 343.540 4.710 50 0 EJAARO Clc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000022852724 212329711 /nfs/dbraw/zinc/32/97/11/212329711.db2.gz LJCOSZWKFZCOAV-HNNXBMFYSA-N 1 0 325.843 4.596 50 0 EJAARO CC(C)c1cccc(C(C)C)c1OCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022385596 212294682 /nfs/dbraw/zinc/29/46/82/212294682.db2.gz BQORZYXEEBAHHD-QZTJIDSGSA-N 1 0 333.516 4.812 50 0 EJAARO c1cc2c(s1)CC[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000022277681 212287471 /nfs/dbraw/zinc/28/74/71/212287471.db2.gz YUFKLALEWYWZQC-UHFFFAOYSA-N 1 0 345.471 4.621 50 0 EJAARO c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022240588 212284879 /nfs/dbraw/zinc/28/48/79/212284879.db2.gz CYKZKPWUKDNQDL-UHFFFAOYSA-N 1 0 339.442 4.560 50 0 EJAARO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000022200088 212282853 /nfs/dbraw/zinc/28/28/53/212282853.db2.gz LEGTZNJPTWWNBT-ZDUSSCGKSA-N 1 0 334.822 4.501 50 0 EJAARO CC(=O)Nc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000216449873 241192868 /nfs/dbraw/zinc/19/28/68/241192868.db2.gz ROZZFMXOZYNKGM-OAQYLSRUSA-N 1 0 340.442 4.901 50 0 EJAARO COc1c(F)cccc1C[N@@H+]1CCCC[C@H]1CCc1cccc(O)c1 ZINC000216462669 241193655 /nfs/dbraw/zinc/19/36/55/241193655.db2.gz OMZOXTMKSWAMNR-SFHVURJKSA-N 1 0 343.442 4.527 50 0 EJAARO O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170755 212213988 /nfs/dbraw/zinc/21/39/88/212213988.db2.gz AFAOPCUFJGIYBO-LJQANCHMSA-N 1 0 348.918 4.601 50 0 EJAARO CCC(=O)CCC[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000242302084 243015474 /nfs/dbraw/zinc/01/54/74/243015474.db2.gz YPJBFAOZIKCLIF-UHFFFAOYSA-N 1 0 343.511 4.539 50 0 EJAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCc3ccccc32)c(F)c1 ZINC000020601500 212150868 /nfs/dbraw/zinc/15/08/68/212150868.db2.gz PIYOSABKNNLPKB-LJQANCHMSA-N 1 0 339.389 4.522 50 0 EJAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc3ccccc3c1)[NH2+]CC2 ZINC000020506934 212141808 /nfs/dbraw/zinc/14/18/08/212141808.db2.gz MNKDJXAYPKSZHU-QHCPKHFHSA-N 1 0 347.458 4.872 50 0 EJAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(C)C)cc1)[NH2+]CC2 ZINC000020506922 212141182 /nfs/dbraw/zinc/14/11/82/212141182.db2.gz ZESXVLFZJSACQA-QFIPXVFZSA-N 1 0 339.479 4.843 50 0 EJAARO Cc1cccc(C[n+]2cn(Cc3ccc(Cl)cc3)c3ccccc32)c1 ZINC000252499906 243820980 /nfs/dbraw/zinc/82/09/80/243820980.db2.gz SIPZARZFFNWCLH-UHFFFAOYSA-N 1 0 347.869 4.987 50 0 EJAARO c1nc(-c2ccccc2)sc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000072438502 203224710 /nfs/dbraw/zinc/22/47/10/203224710.db2.gz MPQANKGTWZTEEM-UHFFFAOYSA-N 1 0 335.476 4.585 50 0 EJAARO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1OC ZINC000019841292 212074257 /nfs/dbraw/zinc/07/42/57/212074257.db2.gz WNAJNQBJGGAVNR-NRFANRHFSA-N 1 0 347.458 4.777 50 0 EJAARO CCCC[C@H](CC)CN1CN(C[C@@H](CC)CCCC)CC(C)([NH3+])C1 ZINC000019321450 212014923 /nfs/dbraw/zinc/01/49/23/212014923.db2.gz DTOUUUZOYKYHEP-PMACEKPBSA-N 1 0 339.612 4.712 50 0 world EJAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000019220780 212005409 /nfs/dbraw/zinc/00/54/09/212005409.db2.gz MJCOHUNHULTAFH-HXUWFJFHSA-N 1 0 331.463 4.765 50 0 EJAARO C[C@H]([NH2+][C@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000110688592 220056916 /nfs/dbraw/zinc/05/69/16/220056916.db2.gz GNTTXLPMWGIIQE-OCPCCLDUSA-N 1 0 349.446 4.504 50 0 EJAARO COc1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)c(OC)c1 ZINC000083927879 217563676 /nfs/dbraw/zinc/56/36/76/217563676.db2.gz DNKUEFLORHCRAA-UHFFFAOYSA-N 1 0 325.452 4.520 50 0 EJAARO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000012383087 211363374 /nfs/dbraw/zinc/36/33/74/211363374.db2.gz APRYMTBTYOAPHE-UHFFFAOYSA-N 1 0 336.479 4.661 50 0 EJAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012307991 211341015 /nfs/dbraw/zinc/34/10/15/211341015.db2.gz ZERXAFGEKLQTFD-JOCHJYFZSA-N 1 0 336.479 4.583 50 0 EJAARO Cc1c[nH]nc1[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000012242434 211330468 /nfs/dbraw/zinc/33/04/68/211330468.db2.gz YGXZXCJXRORJAI-OAQYLSRUSA-N 1 0 345.490 4.730 50 0 EJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000012242543 211329546 /nfs/dbraw/zinc/32/95/46/211329546.db2.gz IBLUXRRYMPKSIU-HNNXBMFYSA-N 1 0 341.455 4.657 50 0 EJAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000012242516 211329294 /nfs/dbraw/zinc/32/92/94/211329294.db2.gz XEBMXYHXMJZVEV-IBGZPJMESA-N 1 0 346.478 4.557 50 0 EJAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000012193749 211316059 /nfs/dbraw/zinc/31/60/59/211316059.db2.gz AGQWVGUOEOBBDY-UHFFFAOYSA-N 1 0 332.394 4.549 50 0 EJAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+]C3CCCCC3)ccc2c1 ZINC000011936657 211272208 /nfs/dbraw/zinc/27/22/08/211272208.db2.gz BNFOJAJSZLFDDY-UHFFFAOYSA-N 1 0 335.451 4.661 50 0 EJAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000011720116 211239719 /nfs/dbraw/zinc/23/97/19/211239719.db2.gz XZEUQGPHDOVSQY-LJQANCHMSA-N 1 0 349.927 4.609 50 0 EJAARO COc1ccc(-c2cc(C[N@H+](C)[C@@H]3CCCc4ccccc43)on2)cc1 ZINC000009579037 211104637 /nfs/dbraw/zinc/10/46/37/211104637.db2.gz BNFIZNZOVGWVTO-JOCHJYFZSA-N 1 0 348.446 4.860 50 0 EJAARO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062769 211037926 /nfs/dbraw/zinc/03/79/26/211037926.db2.gz XHHPSISVWWFVIC-UHFFFAOYSA-N 1 0 336.479 4.661 50 0 EJAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2cccnc2)C(C)C)cc1 ZINC000006719181 210689564 /nfs/dbraw/zinc/68/95/64/210689564.db2.gz ZPTWQTPISARIRR-NRFANRHFSA-N 1 0 326.484 4.788 50 0 EJAARO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000096477350 218854020 /nfs/dbraw/zinc/85/40/20/218854020.db2.gz MDLAOYIMGBHMSF-ZIAGYGMSSA-N 1 0 340.496 4.572 50 0 EJAARO Fc1cccc(NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000005063106 210379328 /nfs/dbraw/zinc/37/93/28/210379328.db2.gz FFUXVGFOXJPNFX-UHFFFAOYSA-N 1 0 343.471 4.621 50 0 EJAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000004986618 210351554 /nfs/dbraw/zinc/35/15/54/210351554.db2.gz NBJBXFLLQSQLPV-CQSZACIVSA-N 1 0 337.385 4.825 50 0 EJAARO COc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c(OC)c1C ZINC000004984023 210349794 /nfs/dbraw/zinc/34/97/94/210349794.db2.gz WONBCACSUODFRS-UHFFFAOYSA-N 1 0 349.474 4.573 50 0 EJAARO Brc1c(OCC[NH+]2CCCCCC2)ccc2ccccc21 ZINC000004978511 210346989 /nfs/dbraw/zinc/34/69/89/210346989.db2.gz HJAPQGKYFSBSHZ-UHFFFAOYSA-N 1 0 348.284 4.857 50 0 EJAARO COc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1OC ZINC000004922281 210323783 /nfs/dbraw/zinc/32/37/83/210323783.db2.gz SJSOYOMGDAHJAW-UHFFFAOYSA-N 1 0 334.419 4.874 50 0 EJAARO Cc1cc(C)c(OCC[N@@H+](C)Cc2ccccc2)c(Br)c1 ZINC000004913378 210321276 /nfs/dbraw/zinc/32/12/76/210321276.db2.gz SIBQPTPZFXIELI-UHFFFAOYSA-N 1 0 348.284 4.577 50 0 EJAARO CC[C@H](C)c1ccc(OCCOCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000004906839 210319055 /nfs/dbraw/zinc/31/90/55/210319055.db2.gz SWQCGVOTNGYYTN-FHWLQOOXSA-N 1 0 333.516 4.573 50 0 EJAARO COC[C@H](C)[NH2+]Cc1cc2ccc(Cl)cc2nc1-c1ccsc1 ZINC000299802690 258105538 /nfs/dbraw/zinc/10/55/38/258105538.db2.gz NKOHOTLLBOCZBZ-LBPRGKRZSA-N 1 0 346.883 4.741 50 0 EJAARO Fc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000055543895 132196061 /nfs/dbraw/zinc/19/60/61/132196061.db2.gz KSUGIETURQBMTK-UHFFFAOYSA-N 1 0 346.449 4.815 50 0 EJAARO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 ZINC000192746215 525596158 /nfs/dbraw/zinc/59/61/58/525596158.db2.gz HVDCYEUGZSLQNM-TXPKVOOTSA-N 1 0 336.435 4.646 50 0 EJAARO c1ccc(COc2ccc(OCCCC[NH+]3CCCCC3)cc2)cc1 ZINC000003001028 526473478 /nfs/dbraw/zinc/47/34/78/526473478.db2.gz NUODQPIXBAZSKZ-UHFFFAOYSA-N 1 0 339.479 4.911 50 0 EJAARO COc1ccccc1C1CC[NH+](Cc2c(C)[nH]c3ccccc32)CC1 ZINC000000153297 563246667 /nfs/dbraw/zinc/24/66/67/563246667.db2.gz LIHDAALNSWSNQF-UHFFFAOYSA-N 1 0 334.463 4.865 50 0 EJAARO CCn1c2ccccc2c2cc(C[N@H+](C)CCc3ccccn3)ccc21 ZINC000000271507 563270085 /nfs/dbraw/zinc/27/00/85/563270085.db2.gz JUWLWCCGZGKBAA-UHFFFAOYSA-N 1 0 343.474 4.884 50 0 EJAARO Cc1ccc([C@@H](OCC[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC000000378185 563299406 /nfs/dbraw/zinc/29/94/06/563299406.db2.gz RLJPEHJIOJINEG-GOSISDBHSA-N 1 0 337.385 4.681 50 0 EJAARO Cc1ccc([C@H](OCC[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC000000378183 563299438 /nfs/dbraw/zinc/29/94/38/563299438.db2.gz RLJPEHJIOJINEG-SFHVURJKSA-N 1 0 337.385 4.681 50 0 EJAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cccc(Cl)c1Cl ZINC000002514917 563435644 /nfs/dbraw/zinc/43/56/44/563435644.db2.gz JHCPRQSMPISZFW-UHFFFAOYSA-N 1 0 332.230 4.596 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccccc1C(F)(F)F ZINC000002515022 563435914 /nfs/dbraw/zinc/43/59/14/563435914.db2.gz ROOUZWKSHJZISN-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515521 563436625 /nfs/dbraw/zinc/43/66/25/563436625.db2.gz AQMRCFJQMKARNI-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO Fc1ccccc1OCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002880866 563460796 /nfs/dbraw/zinc/46/07/96/563460796.db2.gz BVSKUPKJTXRQGJ-UHFFFAOYSA-N 1 0 341.470 4.939 50 0 EJAARO C[C@@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000003250954 563478152 /nfs/dbraw/zinc/47/81/52/563478152.db2.gz FOINBVXLWLHZNX-IEBWSBKVSA-N 1 0 344.458 4.506 50 0 EJAARO Cc1ccc([C@H](C)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000005031930 563519360 /nfs/dbraw/zinc/51/93/60/563519360.db2.gz SALXXAYWFIHUAL-OAHLLOKOSA-N 1 0 332.875 4.557 50 0 EJAARO CC[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccccc1 ZINC000071902732 563556205 /nfs/dbraw/zinc/55/62/05/563556205.db2.gz BFZPDDINZRYLFC-JOCHJYFZSA-N 1 0 339.479 4.623 50 0 EJAARO C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1 ZINC000006267428 563563267 /nfs/dbraw/zinc/56/32/67/563563267.db2.gz BKUWJLSGSGRXBD-DVECYGJZSA-N 1 0 345.486 4.920 50 0 EJAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccccn3)c2)cc1 ZINC000006701615 563579771 /nfs/dbraw/zinc/57/97/71/563579771.db2.gz GNFUZTFFNMSCLI-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO O=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010326865 563647233 /nfs/dbraw/zinc/64/72/33/563647233.db2.gz LAWONDIMPWDWBI-UHFFFAOYSA-N 1 0 328.843 4.578 50 0 EJAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012597396 563664920 /nfs/dbraw/zinc/66/49/20/563664920.db2.gz QVLFGWJAQUNGAU-QGZVFWFLSA-N 1 0 325.477 4.503 50 0 EJAARO Oc1ccc(C[NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCC3)cc1 ZINC000032845178 563761587 /nfs/dbraw/zinc/76/15/87/563761587.db2.gz NELSEETYNOWOIK-OAQYLSRUSA-N 1 0 335.472 4.822 50 0 EJAARO CCOc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCCCC3)cc1 ZINC000015974044 563801234 /nfs/dbraw/zinc/80/12/34/563801234.db2.gz VJBSUZOYYIXRIG-UHFFFAOYSA-N 1 0 333.455 4.557 50 0 EJAARO CCOc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1OCC ZINC000016943452 563826575 /nfs/dbraw/zinc/82/65/75/563826575.db2.gz VESDHVVWRODCHN-JLHYYAGUSA-N 1 0 334.439 4.632 50 0 EJAARO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)c1nnc(-c2ccccc2)o1 ZINC000025898266 563888930 /nfs/dbraw/zinc/88/89/30/563888930.db2.gz WZJWIVXSBHYXNS-QGZVFWFLSA-N 1 0 347.462 4.899 50 0 EJAARO Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027141223 563894874 /nfs/dbraw/zinc/89/48/74/563894874.db2.gz OCVLQTRKJXZKTC-UHFFFAOYSA-N 1 0 347.462 4.715 50 0 EJAARO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018651 563914763 /nfs/dbraw/zinc/91/47/63/563914763.db2.gz IVGLMTAZVXNCHD-UHFFFAOYSA-N 1 0 335.447 4.822 50 0 EJAARO COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1OCc1ccccc1 ZINC000023282062 563919381 /nfs/dbraw/zinc/91/93/81/563919381.db2.gz VFFPPSBRWWWNFP-QGZVFWFLSA-N 1 0 325.452 4.506 50 0 EJAARO CCC(C)(C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042775266 563925054 /nfs/dbraw/zinc/92/50/54/563925054.db2.gz NIBNPWHRFWXKII-ZDUSSCGKSA-N 1 0 340.305 4.515 50 0 EJAARO COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)cc1O ZINC000058023010 563936868 /nfs/dbraw/zinc/93/68/68/563936868.db2.gz FLGZSBJZNJHYCM-JOCHJYFZSA-N 1 0 333.431 4.588 50 0 EJAARO CCOc1ccc(C[N@H+](C)Cc2ccccc2Oc2cccnc2)cc1 ZINC000058099499 563937391 /nfs/dbraw/zinc/93/73/91/563937391.db2.gz JCCINTRQCJYXLC-UHFFFAOYSA-N 1 0 348.446 4.905 50 0 EJAARO Cc1ccc(C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c(C)c1 ZINC000058130330 563937530 /nfs/dbraw/zinc/93/75/30/563937530.db2.gz XKEIKAZBXVSERC-UHFFFAOYSA-N 1 0 346.474 4.909 50 0 EJAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000058167886 563938827 /nfs/dbraw/zinc/93/88/27/563938827.db2.gz RSINPSFOFTUPCI-KRWDZBQOSA-N 1 0 344.524 4.656 50 0 EJAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984488 563957492 /nfs/dbraw/zinc/95/74/92/563957492.db2.gz ORGYFPJOTSVEOC-IBGZPJMESA-N 1 0 328.456 4.922 50 0 EJAARO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(CC)no2)cc1 ZINC000064984396 563957504 /nfs/dbraw/zinc/95/75/04/563957504.db2.gz GKDRWZLUJJFZSU-IBGZPJMESA-N 1 0 328.456 4.753 50 0 EJAARO Oc1cccc(-c2cc([C@@H]3CC[N@H+](Cc4ccsc4)C3)ccn2)c1 ZINC000065404599 563959966 /nfs/dbraw/zinc/95/99/66/563959966.db2.gz QKFWXWWISTWKHD-GOSISDBHSA-N 1 0 336.460 4.505 50 0 EJAARO [NH3+]CCCCn1cnc(-c2ccccc2)c1-c1cccc2cnccc21 ZINC000065536191 563962004 /nfs/dbraw/zinc/96/20/04/563962004.db2.gz KTNVZNWNRKMFNE-UHFFFAOYSA-N 1 0 342.446 4.504 50 0 EJAARO c1ccc(C[NH+]2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000068677318 563963315 /nfs/dbraw/zinc/96/33/15/563963315.db2.gz PTYINEOCJKJYKG-UHFFFAOYSA-N 1 0 340.470 4.580 50 0 EJAARO Oc1cccc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c1 ZINC000071715285 563964825 /nfs/dbraw/zinc/96/48/25/563964825.db2.gz GCYCYAPRMBUXMA-INIZCTEOSA-N 1 0 331.406 4.515 50 0 EJAARO O=C(c1c[nH]c2ccccc12)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000071770260 563965600 /nfs/dbraw/zinc/96/56/00/563965600.db2.gz AHVIYSFSUDWFJQ-HXUWFJFHSA-N 1 0 332.447 4.620 50 0 EJAARO CC(C)c1nc(CN(C)Cc2cc(C[NH+]3CCCC3)cs2)cs1 ZINC000077419432 563969518 /nfs/dbraw/zinc/96/95/18/563969518.db2.gz KONBMQBDWIPSMS-UHFFFAOYSA-N 1 0 349.569 4.556 50 0 EJAARO C[NH+]1CCN(Cc2ccccc2Sc2cccc3ccccc32)CC1 ZINC000096246949 563980614 /nfs/dbraw/zinc/98/06/14/563980614.db2.gz SVJXTGRIPHWREP-UHFFFAOYSA-N 1 0 348.515 4.738 50 0 EJAARO C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1cccc(-n2cccn2)c1 ZINC000072925020 563981259 /nfs/dbraw/zinc/98/12/59/563981259.db2.gz RNSXYCWRIQJGFT-CQSZACIVSA-N 1 0 335.382 4.608 50 0 EJAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000005019671 563993818 /nfs/dbraw/zinc/99/38/18/563993818.db2.gz YOPWQYPXIUHETA-GFCCVEGCSA-N 1 0 339.888 4.877 50 0 EJAARO CCO[C@@H](c1ccccc1)c1ccc2c(c1)C[N@H+](C1CCC1)CCO2 ZINC000015005754 564000232 /nfs/dbraw/zinc/00/02/32/564000232.db2.gz FZODQJUXLSVGRQ-QFIPXVFZSA-N 1 0 337.463 4.559 50 0 EJAARO Cc1ccc2oc(=O)cc(C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000005575478 564005720 /nfs/dbraw/zinc/00/57/20/564005720.db2.gz HROUZSGBUNQOGV-UHFFFAOYSA-N 1 0 347.458 4.556 50 0 EJAARO Cc1cccc([C@H]([NH2+]Cc2cnc3nc(C)cc(C)n23)C(C)(C)C)c1 ZINC000157443075 564010792 /nfs/dbraw/zinc/01/07/92/564010792.db2.gz AZPOUILNWFKQCX-IBGZPJMESA-N 1 0 336.483 4.532 50 0 EJAARO O=C(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000000500602 564018960 /nfs/dbraw/zinc/01/89/60/564018960.db2.gz ZLFSDULZRLGADG-LJQANCHMSA-N 1 0 327.855 4.792 50 0 EJAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000000568286 564023545 /nfs/dbraw/zinc/02/35/45/564023545.db2.gz PDAXJMQEWGABFZ-UHFFFAOYSA-N 1 0 340.467 4.568 50 0 EJAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)s1 ZINC000044861666 564027206 /nfs/dbraw/zinc/02/72/06/564027206.db2.gz MAXKVNGRSSKUTP-UHFFFAOYSA-N 1 0 341.407 4.573 50 0 EJAARO Cc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccsc3)cc(=O)oc2c1 ZINC000048367587 564031555 /nfs/dbraw/zinc/03/15/55/564031555.db2.gz PUJUDTUTWQJWRK-QGZVFWFLSA-N 1 0 325.433 4.500 50 0 EJAARO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1cccc2ccccc21 ZINC000024082710 564036359 /nfs/dbraw/zinc/03/63/59/564036359.db2.gz UFWYSGWVRTWTQO-GOSISDBHSA-N 1 0 341.458 4.935 50 0 EJAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000005799499 564052219 /nfs/dbraw/zinc/05/22/19/564052219.db2.gz LIFJDZNUDFLPPW-UHFFFAOYSA-N 1 0 340.854 4.512 50 0 EJAARO Clc1cccc(Cn2c[n+](Cc3ccccc3)c3ccccc32)c1 ZINC000252508635 564053534 /nfs/dbraw/zinc/05/35/34/564053534.db2.gz XQCJHYDOWHNOSY-UHFFFAOYSA-N 1 0 333.842 4.679 50 0 EJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCOc1ccccc1 ZINC000005942836 564057213 /nfs/dbraw/zinc/05/72/13/564057213.db2.gz XBJIGZBXAGUNPC-NRFANRHFSA-N 1 0 334.463 4.912 50 0 EJAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@H]1[C@@H](O)c1ccccc1 ZINC000005952378 564057284 /nfs/dbraw/zinc/05/72/84/564057284.db2.gz FKKYWOZIJLITIY-VXKWHMMOSA-N 1 0 346.474 4.687 50 0 EJAARO CC(C)[C@@H]1C[C@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1 ZINC000001774069 564057331 /nfs/dbraw/zinc/05/73/31/564057331.db2.gz UMCUDUUEJCLEGK-LEWJYISDSA-N 1 0 327.468 4.532 50 0 biogenic EJAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(C2CCCCC2)cc1 ZINC000003893480 564060315 /nfs/dbraw/zinc/06/03/15/564060315.db2.gz CHJINILHYQKWHZ-OPYAIIAOSA-N 1 0 345.527 4.737 50 0 EJAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(C2CCCCC2)cc1 ZINC000003893478 564060317 /nfs/dbraw/zinc/06/03/17/564060317.db2.gz CHJINILHYQKWHZ-UEXGIBASSA-N 1 0 345.527 4.737 50 0 EJAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)cc1 ZINC000012754302 564067182 /nfs/dbraw/zinc/06/71/82/564067182.db2.gz LSMFEVRVLVSGJC-CVEARBPZSA-N 1 0 348.446 4.526 50 0 EJAARO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000012767394 564068245 /nfs/dbraw/zinc/06/82/45/564068245.db2.gz YZPQRRYNVAHOEH-ROUUACIJSA-N 1 0 346.474 4.538 50 0 EJAARO C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000084691960 564069640 /nfs/dbraw/zinc/06/96/40/564069640.db2.gz LNKVEKLVCUJCFQ-QFBILLFUSA-N 1 0 342.483 4.603 50 0 EJAARO CC[NH+](CC)CCSc1ncnc2scc(-c3ccccc3)c21 ZINC000075319699 564081871 /nfs/dbraw/zinc/08/18/71/564081871.db2.gz TYHJAVRBDZZTTR-UHFFFAOYSA-N 1 0 343.521 4.792 50 0 EJAARO C[C@@H]1CCC[C@H]([NH2+][C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@H]1C ZINC000239203380 564088015 /nfs/dbraw/zinc/08/80/15/564088015.db2.gz SFZFJLNLICHCTF-CTOYSFNJSA-N 1 0 348.490 4.756 50 0 EJAARO C[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@H]1C ZINC000239203381 564088022 /nfs/dbraw/zinc/08/80/22/564088022.db2.gz SFZFJLNLICHCTF-XKPGHWPRSA-N 1 0 348.490 4.756 50 0 EJAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccco3)CCO[C@H](C(C)C)C2)cc1 ZINC000001867330 564088963 /nfs/dbraw/zinc/08/89/63/564088963.db2.gz LWJUFUPLTBOXHQ-VXKWHMMOSA-N 1 0 341.495 4.841 50 0 biogenic EJAARO C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000092769333 564089108 /nfs/dbraw/zinc/08/91/08/564089108.db2.gz IAUZZTXZEUXUMU-HWPZZCPQSA-N 1 0 328.214 4.517 50 0 EJAARO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 ZINC000248725458 564089303 /nfs/dbraw/zinc/08/93/03/564089303.db2.gz HVDCYEUGZSLQNM-FCEWJHQRSA-N 1 0 336.435 4.646 50 0 EJAARO Cc1ccc2c(c1)c1c(n2CCc2ccc(F)cc2)CCC[N@@H+](C)C1 ZINC000075567526 564089558 /nfs/dbraw/zinc/08/95/58/564089558.db2.gz LHLKBXHDMOIMQJ-UHFFFAOYSA-N 1 0 336.454 4.710 50 0 EJAARO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000089548106 564092807 /nfs/dbraw/zinc/09/28/07/564092807.db2.gz ZWBSNWQQGSVQDU-HXUWFJFHSA-N 1 0 334.419 4.693 50 0 EJAARO Cc1ccc2c(C[NH2+][C@H]3CCCc4ccccc43)cc(=O)oc2c1C ZINC000006788265 564097795 /nfs/dbraw/zinc/09/77/95/564097795.db2.gz JMQOLSOXOYNVQR-FQEVSTJZSA-N 1 0 333.431 4.577 50 0 EJAARO C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007016151 564103204 /nfs/dbraw/zinc/10/32/04/564103204.db2.gz LUWVEUKSIXUUGA-UHFFFAOYSA-N 1 0 330.431 4.571 50 0 EJAARO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000170601621 564109349 /nfs/dbraw/zinc/10/93/49/564109349.db2.gz ZTABQPHCXYVLSJ-KUHUBIRLSA-N 1 0 340.854 4.594 50 0 EJAARO CCCn1c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc2ccccc21 ZINC000170605068 564109556 /nfs/dbraw/zinc/10/95/56/564109556.db2.gz PYWNKHLXKJOESS-UHFFFAOYSA-N 1 0 349.478 4.674 50 0 EJAARO O=C(Nc1ccc(C[NH2+]Cc2cc(Cl)cs2)cc1)c1ccco1 ZINC000192989584 564111703 /nfs/dbraw/zinc/11/17/03/564111703.db2.gz YYGBBBDBKQERMG-UHFFFAOYSA-N 1 0 346.839 4.537 50 0 EJAARO Cc1ccc(C)n1C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000089652249 564112930 /nfs/dbraw/zinc/11/29/30/564112930.db2.gz PVJUUNCIRFOHCP-UHFFFAOYSA-N 1 0 335.451 4.597 50 0 EJAARO CC(C)[NH+]1CCC(Nc2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000089870054 564114612 /nfs/dbraw/zinc/11/46/12/564114612.db2.gz INFJNXSNWNQAAH-UHFFFAOYSA-N 1 0 337.389 4.538 50 0 EJAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000089905722 564115077 /nfs/dbraw/zinc/11/50/77/564115077.db2.gz IGZYBILAXICEQQ-QGZVFWFLSA-N 1 0 330.431 4.643 50 0 EJAARO CCc1nc(C)c([C@@H](C)N(C)Cc2csc(C(C)(C)C)n2)s1 ZINC000170639764 564117620 /nfs/dbraw/zinc/11/76/20/564117620.db2.gz VJNHMBYHUPQFEZ-GFCCVEGCSA-N 1 0 337.558 4.961 50 0 EJAARO FC(F)(F)Oc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055211070 564134449 /nfs/dbraw/zinc/13/44/49/564134449.db2.gz JJEXDQGGUVTJJC-GOSISDBHSA-N 1 0 344.336 4.569 50 0 EJAARO c1ccc2c(c1)cccc2OC[C@@H]1C[N@@H+](C2CCCCC2)CS1 ZINC000019897350 564138260 /nfs/dbraw/zinc/13/82/60/564138260.db2.gz PTOXMOXKVOYELA-SFHVURJKSA-N 1 0 327.493 4.926 50 0 EJAARO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)c3cnc(C)nc3C)oc21 ZINC000095967180 564143031 /nfs/dbraw/zinc/14/30/31/564143031.db2.gz XYZVXJZMLQFPEP-GXTWGEPZSA-N 1 0 339.439 4.650 50 0 EJAARO CC[C@@H]([NH2+][C@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 ZINC000095967882 564143085 /nfs/dbraw/zinc/14/30/85/564143085.db2.gz JZVARWKCSFVUCT-DNVCBOLYSA-N 1 0 325.456 4.600 50 0 EJAARO CCN(CC)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000096026733 564144946 /nfs/dbraw/zinc/14/49/46/564144946.db2.gz CTSWSUTWJCCIJK-UHFFFAOYSA-N 1 0 329.831 4.719 50 0 EJAARO c1ccc(C(OCC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000096027491 564144988 /nfs/dbraw/zinc/14/49/88/564144988.db2.gz MYRYVUMGOCRRBG-UHFFFAOYSA-N 1 0 335.491 4.915 50 0 EJAARO CC[NH+](CC)CCSc1ccccc1NC(=O)Nc1ccccc1 ZINC000096028061 564145066 /nfs/dbraw/zinc/14/50/66/564145066.db2.gz MYATVPPXJSQZHP-UHFFFAOYSA-N 1 0 343.496 4.765 50 0 EJAARO CCCC[C@]1(CC[NH2+][C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 ZINC000096116121 564145459 /nfs/dbraw/zinc/14/54/59/564145459.db2.gz QDPMBWGVEAFXML-PXNSSMCTSA-N 1 0 325.537 4.689 50 0 biogenic EJAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057381181 564153846 /nfs/dbraw/zinc/15/38/46/564153846.db2.gz ZAFJFOWSYFHMPC-RHSMWYFYSA-N 1 0 338.476 4.946 50 0 EJAARO CCc1c(C)scc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000057992734 564157037 /nfs/dbraw/zinc/15/70/37/564157037.db2.gz ZZPVFUGSYIOPEP-UHFFFAOYSA-N 1 0 334.916 4.595 50 0 EJAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(c1ccc(Cl)cc1)C1CC1 ZINC000032072509 564160596 /nfs/dbraw/zinc/16/05/96/564160596.db2.gz AEIBINHEKNGXPF-AZUAARDMSA-N 1 0 335.919 4.945 50 0 EJAARO CCCCc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008717225 564166720 /nfs/dbraw/zinc/16/67/20/564166720.db2.gz ODNRMWTVUNTCHN-OAHLLOKOSA-N 1 0 326.484 4.966 50 0 EJAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717410 564166847 /nfs/dbraw/zinc/16/68/47/564166847.db2.gz OVWNVGJCLGXRLS-UHFFFAOYSA-N 1 0 334.463 4.888 50 0 EJAARO C[C@@H]1CC2=C(C[C@@H]1[C@H]1OC[C@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000245265403 564168895 /nfs/dbraw/zinc/16/88/95/564168895.db2.gz GWNYATQURCVOGA-SAJDGTNDSA-N 1 0 347.543 4.767 50 0 biogenic EJAARO FC(F)(F)c1ccccc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000004703439 210253295 /nfs/dbraw/zinc/25/32/95/210253295.db2.gz YMRQKKZQDMOHPP-UHFFFAOYSA-N 1 0 340.433 4.546 50 0 EJAARO FC(F)(F)c1ccccc1[C@@H]1[NH2+]Cc2ccccc2-n2cccc21 ZINC000055028103 214265951 /nfs/dbraw/zinc/26/59/51/214265951.db2.gz XQKNXKHZYXBGMR-SFHVURJKSA-N 1 0 328.337 4.689 50 0 EJAARO c1cncc(C[N@H+](Cc2cccc3c2OCO3)C2CCCCCC2)c1 ZINC000055153511 214279854 /nfs/dbraw/zinc/27/98/54/214279854.db2.gz PDCBAJZMLHBYDQ-UHFFFAOYSA-N 1 0 338.451 4.535 50 0 EJAARO COc1ccc(-c2c[nH+]c(NCc3ccc(C(C)C)cc3)n2C)cc1 ZINC000004678595 210244559 /nfs/dbraw/zinc/24/45/59/210244559.db2.gz AJCKQDQTASBZFM-UHFFFAOYSA-N 1 0 335.451 4.831 50 0 EJAARO Cc1ccc(C)c(OC2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000058357450 214560990 /nfs/dbraw/zinc/56/09/90/214560990.db2.gz SKKFCXDBYCPIKK-UHFFFAOYSA-N 1 0 346.474 4.895 50 0 EJAARO C[NH+](C)CCCn1c(-c2ccccc2)cc(=S)c2c1CCCC2 ZINC000004276306 210158138 /nfs/dbraw/zinc/15/81/38/210158138.db2.gz ZSMXSHKVSRUFHQ-UHFFFAOYSA-N 1 0 326.509 4.715 50 0 EJAARO CC(=O)O[C@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@@H+](C(C)(C)C)C1 ZINC000004188287 210142565 /nfs/dbraw/zinc/14/25/65/210142565.db2.gz XENZICQEFWMILM-GHTZIAJQSA-N 1 0 331.500 4.612 50 0 EJAARO COc1ccc(SC[C@@H]2C[N@H+](C)CC[C@H]2c2ccc(F)cc2)cc1 ZINC000004128303 210127260 /nfs/dbraw/zinc/12/72/60/210127260.db2.gz MLARQDLTIVCLRN-JXFKEZNVSA-N 1 0 345.483 4.662 50 0 EJAARO COc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccco2)cc1OC ZINC000004084398 210116759 /nfs/dbraw/zinc/11/67/59/210116759.db2.gz NBBCJJMEMKWYAC-GOSISDBHSA-N 1 0 345.483 4.997 50 0 biogenic EJAARO Cc1cc(C(c2ccc(N)c(C)c2)=C2C=CC(=[NH2+])C(C)=C2)ccc1N ZINC000003861637 210080424 /nfs/dbraw/zinc/08/04/24/210080424.db2.gz MUFPRITXEIBEMS-UHFFFAOYSA-N 1 0 329.447 4.806 50 0 investigational EJAARO CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000003418381 210034683 /nfs/dbraw/zinc/03/46/83/210034683.db2.gz ODGZLHOIZGXATR-DZGCQCFKSA-N 1 0 348.314 4.538 50 0 EJAARO O=C(c1cc2ccccc2o1)[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000003355888 210016875 /nfs/dbraw/zinc/01/68/75/210016875.db2.gz DOCXWYDRIZSBRT-LJQANCHMSA-N 1 0 333.431 4.713 50 0 EJAARO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)C2CCCCC2)c1Cl ZINC000003332883 210011011 /nfs/dbraw/zinc/01/10/11/210011011.db2.gz QYXWFZKPPNGHIK-UHFFFAOYSA-N 1 0 329.271 4.505 50 0 EJAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1cnc2ccccc2c1 ZINC000067773949 215209316 /nfs/dbraw/zinc/20/93/16/215209316.db2.gz PZEDHECVIAVJQN-UHFFFAOYSA-N 1 0 334.419 4.632 50 0 EJAARO Fc1c(C[NH+]2CCCC2)cccc1Oc1ncccc1C(F)(F)F ZINC000067851643 215231218 /nfs/dbraw/zinc/23/12/18/215231218.db2.gz SBNXSYKYRWFPPH-UHFFFAOYSA-N 1 0 340.320 4.628 50 0 EJAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1cc(F)ccc1C ZINC000067967514 215262364 /nfs/dbraw/zinc/26/23/64/215262364.db2.gz ZYQVMPQWBLGFOZ-UHFFFAOYSA-N 1 0 329.415 4.921 50 0 EJAARO [NH3+]CCSc1c2ccccc2[nH]c1-c1ccc(Br)cc1 ZINC000002455195 209851457 /nfs/dbraw/zinc/85/14/57/209851457.db2.gz OCCPLLCZKIXWJG-UHFFFAOYSA-N 1 0 347.281 4.648 50 0 EJAARO CC1(C)C[C@@H](C[NH2+]CC[C@H](c2ccco2)c2ccc(F)cc2)CCO1 ZINC000001821195 209797891 /nfs/dbraw/zinc/79/78/91/209797891.db2.gz PVZQSKKTJZATRH-LPHOPBHVSA-N 1 0 345.458 4.736 50 0 EJAARO CSc1ccc(C[N@H+](C)CCCc2nc3ccccc3o2)cc1 ZINC000040155756 213274773 /nfs/dbraw/zinc/27/47/73/213274773.db2.gz UDZICFACKCEQMK-UHFFFAOYSA-N 1 0 326.465 4.614 50 0 EJAARO CCCC[C@@H](CC)CN1CN(C[C@@H](CC)CCCC)CC(C)([NH3+])C1 ZINC000019318917 202004616 /nfs/dbraw/zinc/00/46/16/202004616.db2.gz DTOUUUZOYKYHEP-WCRBZPEASA-N 1 0 339.612 4.712 50 0 world EJAARO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000040057089 213254923 /nfs/dbraw/zinc/25/49/23/213254923.db2.gz PCEKUMCEQMRZMI-IVKJLDKCSA-N 1 0 331.504 4.576 50 0 EJAARO c1ccc(C2CCC(N3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000019790159 202021060 /nfs/dbraw/zinc/02/10/60/202021060.db2.gz CMKZUJSLHYGZFC-UHFFFAOYSA-N 1 0 326.528 4.663 50 0 EJAARO Cc1sc(NC(=O)c2cccs2)c(C[NH+]2CCCCC2)c1C ZINC000038545991 213213181 /nfs/dbraw/zinc/21/31/81/213213181.db2.gz VQQUNXDGNZDWMF-UHFFFAOYSA-N 1 0 334.510 4.665 50 0 EJAARO COc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000037458330 213147940 /nfs/dbraw/zinc/14/79/40/213147940.db2.gz PBWZGCKMUODASB-QVKFZJNVSA-N 1 0 348.446 4.585 50 0 EJAARO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C)c2)c1 ZINC000036348346 213085772 /nfs/dbraw/zinc/08/57/72/213085772.db2.gz DNJPNXAQKSZYBF-HSZRJFAPSA-N 1 0 346.474 4.800 50 0 EJAARO CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036098991 213065954 /nfs/dbraw/zinc/06/59/54/213065954.db2.gz OPZMCQRUYZSBLY-NRFANRHFSA-N 1 0 329.459 4.606 50 0 EJAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018747 202246934 /nfs/dbraw/zinc/24/69/34/202246934.db2.gz GFEABUBPHMPELP-UHFFFAOYSA-N 1 0 335.447 4.822 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c(OC)c1 ZINC000033087190 202250023 /nfs/dbraw/zinc/25/00/23/202250023.db2.gz ACTJQYZZPBITSM-QGZVFWFLSA-N 1 0 331.481 4.883 50 0 EJAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc(OC)c1O ZINC000033087139 212896919 /nfs/dbraw/zinc/89/69/19/212896919.db2.gz IXRNUNUKDMSAQJ-HNNXBMFYSA-N 1 0 347.480 4.588 50 0 EJAARO C[NH2+]Cc1ccccc1Oc1ccc(Cl)cc1Br ZINC000034664812 202273791 /nfs/dbraw/zinc/27/37/91/202273791.db2.gz MKDXBQHPQSNIHX-UHFFFAOYSA-N 1 0 326.621 4.614 50 0 EJAARO Cc1cc(C)n(CC2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000075154724 202376476 /nfs/dbraw/zinc/37/64/76/202376476.db2.gz KGTASYDBHRMMIA-UHFFFAOYSA-N 1 0 333.479 4.565 50 0 EJAARO CCOc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1Cl ZINC000072420156 216209442 /nfs/dbraw/zinc/20/94/42/216209442.db2.gz YUJQTEORSXFAQN-UHFFFAOYSA-N 1 0 330.859 4.513 50 0 EJAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000225280569 201035072 /nfs/dbraw/zinc/03/50/72/201035072.db2.gz AUECQLRHFAMZEW-DPOVEGGPSA-N 1 0 347.911 4.879 50 0 EJAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229789375 201043249 /nfs/dbraw/zinc/04/32/49/201043249.db2.gz RPHWWOWWZLDZEY-FXAWDEMLSA-N 1 0 344.458 4.656 50 0 EJAARO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1Br ZINC000023624447 212385966 /nfs/dbraw/zinc/38/59/66/212385966.db2.gz BRUHRGSDOTWTMK-ZDUSSCGKSA-N 1 0 341.252 4.848 50 0 EJAARO C[C@H](c1ccc(F)cc1)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000022200085 212282194 /nfs/dbraw/zinc/28/21/94/212282194.db2.gz LEGTZNJPTWWNBT-CYBMUJFWSA-N 1 0 334.822 4.501 50 0 EJAARO Cc1nc([C@@H](C)N(C)Cc2ccc(C[NH+]3CCCC3)s2)c(C)s1 ZINC000215559489 241131584 /nfs/dbraw/zinc/13/15/84/241131584.db2.gz FXDUSYUKELIMSL-CYBMUJFWSA-N 1 0 349.569 4.610 50 0 EJAARO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cn(CC)c2ccccc12 ZINC000021720761 212245112 /nfs/dbraw/zinc/24/51/12/212245112.db2.gz FTCKXRXMKHWPRN-LJQANCHMSA-N 1 0 337.467 4.857 50 0 EJAARO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)c2ccccc2C(F)(F)F)no1 ZINC000225734895 242010499 /nfs/dbraw/zinc/01/04/99/242010499.db2.gz XBEFWICBYROOJF-XQQFMLRXSA-N 1 0 326.362 4.845 50 0 EJAARO Clc1ccc([C@H](CC[NH2+]C[C@@H]2CCCO2)Cc2ccccc2)cc1 ZINC000002360436 201529998 /nfs/dbraw/zinc/52/99/98/201529998.db2.gz OQGCDSXZUITRFQ-CTNGQTDRSA-N 1 0 343.898 4.825 50 0 EJAARO CCC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868941 212180835 /nfs/dbraw/zinc/18/08/35/212180835.db2.gz LXOUQWUIIDDGAH-VXKWHMMOSA-N 1 0 341.470 4.693 50 0 EJAARO CC(C)[C@](O)(c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868851 212180349 /nfs/dbraw/zinc/18/03/49/212180349.db2.gz GIDTWQNIWJDQIL-GOTSBHOMSA-N 1 0 337.507 4.800 50 0 EJAARO CCC[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868944 212180165 /nfs/dbraw/zinc/18/01/65/212180165.db2.gz LXOUQWUIIDDGAH-FCHUYYIVSA-N 1 0 341.470 4.693 50 0 EJAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCC[C@@H](c2ccccc2C)C1 ZINC000020781405 212171256 /nfs/dbraw/zinc/17/12/56/212171256.db2.gz MAOCODXGGDWMAQ-QGZVFWFLSA-N 1 0 336.435 4.931 50 0 EJAARO Cc1ccc(C[n+]2cn(CCc3ccccc3)c3ccccc32)cc1 ZINC000252497095 243816139 /nfs/dbraw/zinc/81/61/39/243816139.db2.gz PYVOBEZGDHWZTR-UHFFFAOYSA-N 1 0 327.451 4.528 50 0 EJAARO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccoc3)C2)cc1 ZINC000020452960 212130773 /nfs/dbraw/zinc/13/07/73/212130773.db2.gz HFWXAHXZUSPQBK-MRXNPFEDSA-N 1 0 341.842 4.703 50 0 EJAARO Cc1cc(N2CC(c3ccccn3)C2)c2cc(C(F)(F)F)ccc2[nH+]1 ZINC000072162461 203177365 /nfs/dbraw/zinc/17/73/65/203177365.db2.gz HRZFQIXHPJMJGJ-UHFFFAOYSA-N 1 0 343.352 4.561 50 0 EJAARO c1ccc(OCCOc2cccc(C[NH2+]C3CCCCC3)c2)cc1 ZINC000019737924 212059406 /nfs/dbraw/zinc/05/94/06/212059406.db2.gz JSBVGRXAPMZFKJ-UHFFFAOYSA-N 1 0 325.452 4.567 50 0 EJAARO CC(C)=CCC[C@@H](C)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019633573 212053486 /nfs/dbraw/zinc/05/34/86/212053486.db2.gz OAESBAAOJNZKTB-CDDKBXLESA-N 1 0 326.528 4.700 50 0 EJAARO Brc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000291956 206225082 /nfs/dbraw/zinc/22/50/82/206225082.db2.gz QGNJGCSZPBNCIE-UHFFFAOYSA-N 1 0 344.296 4.904 50 0 EJAARO COc1ccc(CC[N@H+](C)Cc2ccc(C(C)C)cc2)cc1OC ZINC000012382965 211363057 /nfs/dbraw/zinc/36/30/57/211363057.db2.gz ITRBRXAQMZRKNK-UHFFFAOYSA-N 1 0 327.468 4.502 50 0 EJAARO CC(C)CC[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012242240 211330246 /nfs/dbraw/zinc/33/02/46/211330246.db2.gz FHWNZUNVFPJRJQ-CQSZACIVSA-N 1 0 333.426 4.580 50 0 EJAARO Fc1ccccc1C[NH+]1CCC(c2n[nH]cc2Cc2ccccc2)CC1 ZINC000012242413 211329909 /nfs/dbraw/zinc/32/99/09/211329909.db2.gz NSQCFTGAIZRGQX-UHFFFAOYSA-N 1 0 349.453 4.519 50 0 EJAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000011814130 211250750 /nfs/dbraw/zinc/25/07/50/211250750.db2.gz LJUSLOSRJYQGGC-AWEZNQCLSA-N 1 0 325.374 4.543 50 0 EJAARO COc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3cnn(C(C)C)c3)oc21 ZINC000095419644 218359378 /nfs/dbraw/zinc/35/93/78/218359378.db2.gz UZSGHLDVSSPDNI-KBPBESRZSA-N 1 0 327.428 4.631 50 0 EJAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O ZINC000095427038 218369130 /nfs/dbraw/zinc/36/91/30/218369130.db2.gz HZOYGJNXOKTADW-NHYWBVRUSA-N 1 0 336.357 4.534 50 0 EJAARO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccncc1 ZINC000095423134 218364792 /nfs/dbraw/zinc/36/47/92/218364792.db2.gz ZGNREPSBZXWIQI-JQWIXIFHSA-N 1 0 325.275 4.708 50 0 EJAARO CC[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)c1ccncc1 ZINC000095423137 218365004 /nfs/dbraw/zinc/36/50/04/218365004.db2.gz ZGNREPSBZXWIQI-ZYHUDNBSSA-N 1 0 325.275 4.708 50 0 EJAARO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000095446809 218391252 /nfs/dbraw/zinc/39/12/52/218391252.db2.gz XFSQLIDUCUYMLK-LJQANCHMSA-N 1 0 341.842 4.973 50 0 EJAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 ZINC000013153585 207361602 /nfs/dbraw/zinc/36/16/02/207361602.db2.gz WCIOXRVBDMJIRY-IYBDPMFKSA-N 1 0 347.886 4.761 50 0 EJAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(OC)cc1 ZINC000004841353 520598578 /nfs/dbraw/zinc/59/85/78/520598578.db2.gz RFWGVJHOGNWQLY-UHFFFAOYSA-N 1 0 340.250 4.691 50 0 EJAARO Clc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)c(Cl)c1 ZINC000007538922 563605267 /nfs/dbraw/zinc/60/52/67/563605267.db2.gz PLXZZYRPDMAFKU-GFCCVEGCSA-N 1 0 326.223 4.522 50 0 EJAARO Cc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2n1 ZINC000012915323 563676624 /nfs/dbraw/zinc/67/66/24/563676624.db2.gz RVFTZAMMYYMKRC-UHFFFAOYSA-N 1 0 329.197 4.755 50 0 EJAARO CC1(C)CCC(C)(C)[NH+]=C(SCC(=O)c2ccc(Cl)cc2)N1 ZINC000000150473 563246087 /nfs/dbraw/zinc/24/60/87/563246087.db2.gz DDVPBQVXTSDSIC-UHFFFAOYSA-N 1 0 338.904 4.553 50 0 EJAARO COc1ccc2c(c1)[C@H](C1CC[NH+](C)CC1)Oc1ccccc1S2 ZINC000000347652 563288006 /nfs/dbraw/zinc/28/80/06/563288006.db2.gz AMJLPOOQDHBZPR-FQEVSTJZSA-N 1 0 341.476 4.622 50 0 EJAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](CCc1ccc(Cl)cc1)CC2 ZINC000000378115 563299423 /nfs/dbraw/zinc/29/94/23/563299423.db2.gz FYWPHUYGVNYFIB-AWEZNQCLSA-N 1 0 345.870 4.519 50 0 EJAARO C[N@@H+]1CCC[C@H](OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 ZINC000000459957 563326142 /nfs/dbraw/zinc/32/61/42/563326142.db2.gz LIXBXGQITYSGOE-SFHVURJKSA-N 1 0 331.500 4.533 50 0 EJAARO COc1ccc(SC[C@@H]2C[N@H+](C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000000968649 563366459 /nfs/dbraw/zinc/36/64/59/563366459.db2.gz MLARQDLTIVCLRN-OXJNMPFZSA-N 1 0 345.483 4.662 50 0 EJAARO CCC[N@H+](CCc1cccs1)[C@H]1CCc2c(cccc2OC)C1 ZINC000001541053 563391777 /nfs/dbraw/zinc/39/17/77/563391777.db2.gz AXOQYAWBBDSEMG-KRWDZBQOSA-N 1 0 329.509 4.569 50 0 EJAARO CC1(C)C[C@@](CC[NH2+]Cc2ccccc2F)(c2ccccc2)CCO1 ZINC000001831181 563413708 /nfs/dbraw/zinc/41/37/08/563413708.db2.gz HFBMKKUCRLRSDJ-QFIPXVFZSA-N 1 0 341.470 4.832 50 0 EJAARO COc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccc(C)cc2)cc1 ZINC000002117757 563423121 /nfs/dbraw/zinc/42/31/21/563423121.db2.gz PRZCURDAEIBKLV-NRFANRHFSA-N 1 0 335.447 4.908 50 0 aggregator EJAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000002181823 563425523 /nfs/dbraw/zinc/42/55/23/563425523.db2.gz GUJLSPBIMKSORO-UHFFFAOYSA-N 1 0 347.458 4.703 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccccc1C(F)(F)F ZINC000002515077 563435934 /nfs/dbraw/zinc/43/59/34/563435934.db2.gz AQMWXLSDLIBTSL-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO CC[NH+](CC)CCCn1c(-c2ccccc2)cn2c3ccccc3nc21 ZINC000004329512 563500361 /nfs/dbraw/zinc/50/03/61/563500361.db2.gz QSSUCOKOBLKUMC-UHFFFAOYSA-N 1 0 346.478 4.688 50 0 EJAARO COc1cccc(N2CC[NH+](CCCCCCC=C(C)C)CC2)c1 ZINC000004980305 563516665 /nfs/dbraw/zinc/51/66/65/563516665.db2.gz YFLFYSPUBREZIM-UHFFFAOYSA-N 1 0 330.516 4.734 50 0 EJAARO FC(F)(F)c1cccc(N2CC[NH+](C3CCCCCCC3)CC2)c1 ZINC000004981290 563517150 /nfs/dbraw/zinc/51/71/50/563517150.db2.gz HKQFXGOETYYZMU-UHFFFAOYSA-N 1 0 340.433 4.940 50 0 EJAARO c1ccc(COc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000004985668 563517501 /nfs/dbraw/zinc/51/75/01/563517501.db2.gz YCWRKRSKWBQGCG-UHFFFAOYSA-N 1 0 325.452 4.520 50 0 EJAARO COc1ccc(C[NH+]2CCC(C)CC2)cc1OCc1ccccc1 ZINC000004988834 563517902 /nfs/dbraw/zinc/51/79/02/563517902.db2.gz VPCHWVDOCCVZNU-UHFFFAOYSA-N 1 0 325.452 4.506 50 0 EJAARO C[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1 ZINC000006260392 563563059 /nfs/dbraw/zinc/56/30/59/563563059.db2.gz BKUWJLSGSGRXBD-CYFREDJKSA-N 1 0 345.486 4.920 50 0 EJAARO Clc1ccccc1COc1ccccc1C[NH2+]Cc1ccncc1 ZINC000006671942 563577923 /nfs/dbraw/zinc/57/79/23/563577923.db2.gz VDKDOBNLMMNJBO-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO CCOCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007538987 563605094 /nfs/dbraw/zinc/60/50/94/563605094.db2.gz DMMDMMFMWZWAOS-UHFFFAOYSA-N 1 0 328.239 4.770 50 0 EJAARO COc1ccc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)cc1 ZINC000007538616 563605286 /nfs/dbraw/zinc/60/52/86/563605286.db2.gz WMTCCMWZWGVYDV-UHFFFAOYSA-N 1 0 339.460 4.626 50 0 EJAARO CCOc1cc(C[NH2+]C2CC2)ccc1OCc1ccccc1Cl ZINC000008254678 563625132 /nfs/dbraw/zinc/62/51/32/563625132.db2.gz RKZKMLDATUYXHX-UHFFFAOYSA-N 1 0 331.843 4.570 50 0 EJAARO Cc1cc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)c(C)n1C1CC1 ZINC000012788547 563671210 /nfs/dbraw/zinc/67/12/10/563671210.db2.gz DPBKJYCRDIFAMZ-UHFFFAOYSA-N 1 0 348.494 4.532 50 0 EJAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000032754491 563728020 /nfs/dbraw/zinc/72/80/20/563728020.db2.gz HSZGUGRXXCFFGY-MRXNPFEDSA-N 1 0 331.419 4.812 50 0 EJAARO Clc1ccccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)o1 ZINC000013990432 563734562 /nfs/dbraw/zinc/73/45/62/563734562.db2.gz WQJYYSQSQGBYFR-UHFFFAOYSA-N 1 0 341.794 4.619 50 0 EJAARO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000032843160 563761368 /nfs/dbraw/zinc/76/13/68/563761368.db2.gz VPAVAVINIUKVBX-ZDUSSCGKSA-N 1 0 345.443 4.563 50 0 EJAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032851130 563762722 /nfs/dbraw/zinc/76/27/22/563762722.db2.gz DCEXNQQVSQZKPR-BDJLRTHQSA-N 1 0 349.261 4.598 50 0 EJAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000014980265 563769931 /nfs/dbraw/zinc/76/99/31/563769931.db2.gz MOVVIBMPDJGUDW-QGZVFWFLSA-N 1 0 348.874 4.694 50 0 EJAARO c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000030543930 563909977 /nfs/dbraw/zinc/90/99/77/563909977.db2.gz VZNFAOSVKUCIJZ-HSZRJFAPSA-N 1 0 344.458 4.828 50 0 EJAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000033018781 563914769 /nfs/dbraw/zinc/91/47/69/563914769.db2.gz WDBMBRDJRHJDKI-UHFFFAOYSA-N 1 0 335.447 4.822 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2sccc2C)cc1O ZINC000033087150 563915018 /nfs/dbraw/zinc/91/50/18/563915018.db2.gz ZPDAINITPUUDCR-MRXNPFEDSA-N 1 0 331.481 4.888 50 0 EJAARO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)ccc1O ZINC000033087314 563915074 /nfs/dbraw/zinc/91/50/74/563915074.db2.gz DHXSCCNSCZVFHJ-MRXNPFEDSA-N 1 0 331.481 4.970 50 0 EJAARO O[C@@H](COCc1ccccc1)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000000303989 563917324 /nfs/dbraw/zinc/91/73/24/563917324.db2.gz DTEMPXLYQBOHLH-JOCHJYFZSA-N 1 0 345.527 4.532 50 0 EJAARO Fc1ccc2c(c1)[C@H]([NH+]1CCC(c3nc4ccccc4o3)CC1)CC2 ZINC000072313262 563929475 /nfs/dbraw/zinc/92/94/75/563929475.db2.gz MPPBSVSCJCLITN-LJQANCHMSA-N 1 0 336.410 4.834 50 0 EJAARO CCc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)sc1C ZINC000033023419 563929495 /nfs/dbraw/zinc/92/94/95/563929495.db2.gz YLXZNXWPSYOLDK-UHFFFAOYSA-N 1 0 348.556 4.538 50 0 EJAARO CC(C)([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000058142024 563937726 /nfs/dbraw/zinc/93/77/26/563937726.db2.gz PZQVNRIFVHLVGS-UHFFFAOYSA-N 1 0 338.234 4.747 50 0 EJAARO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3cccc(F)c3)c2cc1Cl ZINC000058167032 563938740 /nfs/dbraw/zinc/93/87/40/563938740.db2.gz XBQMEHOVUVWBSY-UHFFFAOYSA-N 1 0 345.801 4.526 50 0 EJAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000058434118 563946388 /nfs/dbraw/zinc/94/63/88/563946388.db2.gz NZLJTRJNWRYOBR-IBGZPJMESA-N 1 0 348.446 4.557 50 0 EJAARO Cc1ccc(-c2nc(CNCc3cnc(C4CCC4)s3)co2)cc1 ZINC000096473110 563954858 /nfs/dbraw/zinc/95/48/58/563954858.db2.gz GFVAVRFJJAVKRP-UHFFFAOYSA-N 1 0 339.464 4.664 50 0 EJAARO c1ccc(-c2cc(N3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)c3ccccc3[nH+]2)cc1 ZINC000071763892 563965500 /nfs/dbraw/zinc/96/55/00/563965500.db2.gz SHYNJXCZIGDGLK-BRNYJPRKSA-N 1 0 342.442 4.515 50 0 EJAARO Cc1cc(Cl)cc(Cl)c1OCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247609 563976216 /nfs/dbraw/zinc/97/62/16/563976216.db2.gz IHHCNZDGHQJZAX-OKILXGFUSA-N 1 0 346.298 4.570 50 0 EJAARO Cc1ccc(-c2ccccc2C[NH+]2CCC3(CCOCC3)CC2)o1 ZINC000097642320 563981765 /nfs/dbraw/zinc/98/17/65/563981765.db2.gz JIQKHUZBRHCDNX-UHFFFAOYSA-N 1 0 325.452 4.648 50 0 EJAARO COc1cccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1OC ZINC000023634016 563988143 /nfs/dbraw/zinc/98/81/43/563988143.db2.gz ASOLMBUBWZDVQY-OAQYLSRUSA-N 1 0 347.458 4.777 50 0 EJAARO Cc1ccc(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000000261512 563989670 /nfs/dbraw/zinc/98/96/70/563989670.db2.gz ONMQDIRRELZMSJ-UHFFFAOYSA-N 1 0 347.572 4.583 50 0 EJAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000061013317 563992328 /nfs/dbraw/zinc/99/23/28/563992328.db2.gz VJYVHIVLPJWYLN-OAHLLOKOSA-N 1 0 337.442 4.522 50 0 EJAARO Cc1nc2ccccc2n1CCCCC[N@@H+](C)C(C1CC1)C1CC1 ZINC000408516946 563992880 /nfs/dbraw/zinc/99/28/80/563992880.db2.gz QSKOLKAFVSKFMH-UHFFFAOYSA-N 1 0 325.500 4.635 50 0 EJAARO Cc1sc(NC(=O)c2ccccc2F)c(C[NH+]2CCCCC2)c1C ZINC000000387207 563993544 /nfs/dbraw/zinc/99/35/44/563993544.db2.gz BPHUVPJEWMUIOT-UHFFFAOYSA-N 1 0 346.471 4.742 50 0 EJAARO C[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1 ZINC000005350367 564003015 /nfs/dbraw/zinc/00/30/15/564003015.db2.gz JARGVZLPOWSQTB-DYESRHJHSA-N 1 0 327.468 4.675 50 0 EJAARO c1c(C[NH2+]Cc2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000017309829 564011588 /nfs/dbraw/zinc/01/15/88/564011588.db2.gz YLZHFPWYEOEWAW-UHFFFAOYSA-N 1 0 339.442 4.829 50 0 EJAARO Fc1ccc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)cc1Cl ZINC000162070013 564013320 /nfs/dbraw/zinc/01/33/20/564013320.db2.gz MWRHFCBZMYOMCX-UHFFFAOYSA-N 1 0 347.865 4.544 50 0 EJAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000006667597 564014924 /nfs/dbraw/zinc/01/49/24/564014924.db2.gz CDYLBYNFLUAGRB-CQSZACIVSA-N 1 0 348.284 4.569 50 0 EJAARO CCc1cc(C[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000005677834 564018127 /nfs/dbraw/zinc/01/81/27/564018127.db2.gz NBRWTWZHYCEUKI-UHFFFAOYSA-N 1 0 342.508 4.795 50 0 EJAARO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000102376751 564020003 /nfs/dbraw/zinc/02/00/03/564020003.db2.gz FTLSGFLBFISHGF-OPYAIIAOSA-N 1 0 336.479 4.653 50 0 EJAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000014168503 564021612 /nfs/dbraw/zinc/02/16/12/564021612.db2.gz XBJCJBGPJFKXGZ-LBPRGKRZSA-N 1 0 336.357 4.515 50 0 EJAARO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cccc2ccccc21 ZINC000014232411 564022046 /nfs/dbraw/zinc/02/20/46/564022046.db2.gz PCEYVUDDBZVOPJ-KRWDZBQOSA-N 1 0 327.431 4.876 50 0 EJAARO Cc1ccccc1Cc1nnc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 ZINC000108382313 564028177 /nfs/dbraw/zinc/02/81/77/564028177.db2.gz HDQQIMLHXLPZFI-AYOQOUSVSA-N 1 0 341.499 4.519 50 0 EJAARO Fc1ccc([C@H](CC[NH2+]Cc2ccccc2F)c2ccco2)cc1 ZINC000001900285 564058065 /nfs/dbraw/zinc/05/80/65/564058065.db2.gz TUISOILCFZOYCL-SFHVURJKSA-N 1 0 327.374 4.870 50 0 EJAARO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000084691958 564069623 /nfs/dbraw/zinc/06/96/23/564069623.db2.gz LNKVEKLVCUJCFQ-LPHOPBHVSA-N 1 0 342.483 4.603 50 0 EJAARO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 ZINC000012869669 564075977 /nfs/dbraw/zinc/07/59/77/564075977.db2.gz LWWFAARRZYXROW-LSDHHAIUSA-N 1 0 336.410 4.657 50 0 EJAARO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c(C)c1 ZINC000012910303 564077909 /nfs/dbraw/zinc/07/79/09/564077909.db2.gz GIKBZVGTBMZLFG-GOSISDBHSA-N 1 0 346.474 4.916 50 0 EJAARO C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000016047205 564079441 /nfs/dbraw/zinc/07/94/41/564079441.db2.gz QPCFTGNGVCQFQN-YCRPNKLZSA-N 1 0 341.426 4.808 50 0 EJAARO Clc1cc2c(s1)CC[C@H]2[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912189 564087037 /nfs/dbraw/zinc/08/70/37/564087037.db2.gz SGLNLKHZTJSSFT-CQSZACIVSA-N 1 0 334.872 4.505 50 0 EJAARO CC1(C)C[C@H]([C@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)CCO1 ZINC000001817954 564088712 /nfs/dbraw/zinc/08/87/12/564088712.db2.gz VGFDASKIEQFNNO-WOJBJXKFSA-N 1 0 341.495 4.823 50 0 biogenic EJAARO Fc1ccc([C@@H](CC[NH2+]Cc2ccccc2F)c2ccco2)cc1 ZINC000001900286 564089206 /nfs/dbraw/zinc/08/92/06/564089206.db2.gz TUISOILCFZOYCL-GOSISDBHSA-N 1 0 327.374 4.870 50 0 EJAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000252427612 564089350 /nfs/dbraw/zinc/08/93/50/564089350.db2.gz VHWZMUZKFCGALN-PMACEKPBSA-N 1 0 332.919 4.569 50 0 EJAARO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 ZINC000089544953 564092814 /nfs/dbraw/zinc/09/28/14/564092814.db2.gz JPUFRYKDVHSEAH-ZIAGYGMSSA-N 1 0 340.858 4.641 50 0 EJAARO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000006787323 564097768 /nfs/dbraw/zinc/09/77/68/564097768.db2.gz PZYNMPGVYMOSKG-UHFFFAOYSA-N 1 0 344.458 4.846 50 0 EJAARO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000170601620 564109335 /nfs/dbraw/zinc/10/93/35/564109335.db2.gz ZTABQPHCXYVLSJ-IFXJQAMLSA-N 1 0 340.854 4.594 50 0 EJAARO Cc1cc(C)n(-c2ccc(C[NH2+]C3CCCC3)c(C(F)(F)F)c2)n1 ZINC000089594283 564112646 /nfs/dbraw/zinc/11/26/46/564112646.db2.gz BOTIWGBGAIHQGJ-UHFFFAOYSA-N 1 0 337.389 4.540 50 0 EJAARO CC(=O)Nc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000017310811 564118042 /nfs/dbraw/zinc/11/80/42/564118042.db2.gz RYTMXGSGEQVKCM-UHFFFAOYSA-N 1 0 330.431 4.524 50 0 EJAARO C[C@@H]1[C@H](O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000252426437 564118359 /nfs/dbraw/zinc/11/83/59/564118359.db2.gz BPCLELONGIWKCR-INXYXQHBSA-N 1 0 336.262 4.766 50 0 EJAARO C[C@@H]1[C@H](O)C[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000252426438 564118361 /nfs/dbraw/zinc/11/83/61/564118361.db2.gz BPCLELONGIWKCR-JZDMUPLMSA-N 1 0 336.262 4.766 50 0 EJAARO COc1ccc(C[NH2+]CC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002157203 564119540 /nfs/dbraw/zinc/11/95/40/564119540.db2.gz FGCOYXVIXSZYRW-QUCCMNQESA-N 1 0 333.516 4.652 50 0 biogenic EJAARO O=C(C=C1CCCCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000065811966 564121331 /nfs/dbraw/zinc/12/13/31/564121331.db2.gz WFMDSNRPHYOCAG-UHFFFAOYSA-N 1 0 326.484 4.544 50 0 EJAARO c1ccc(C[N@@H+]2CC[C@@H]([C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000101359244 564129508 /nfs/dbraw/zinc/12/95/08/564129508.db2.gz BLHARDLNGUCJNB-GGAORHGYSA-N 1 0 328.459 4.736 50 0 EJAARO Fc1ccc(N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000000280192 564133072 /nfs/dbraw/zinc/13/30/72/564133072.db2.gz GAHQOFZHLMSQFD-UHFFFAOYSA-N 1 0 338.470 4.674 50 0 EJAARO CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)[C@H](C)C1 ZINC000012656749 564135384 /nfs/dbraw/zinc/13/53/84/564135384.db2.gz XIHJFMFAIYGPCL-PSWRPDDJSA-N 1 0 347.543 4.933 50 0 biogenic EJAARO COc1cc(C[NH2+][C@@]2(C)CCCc3ccccc32)cc(Cl)c1OC ZINC000095960009 564142673 /nfs/dbraw/zinc/14/26/73/564142673.db2.gz SGIHNULVDVHNDF-FQEVSTJZSA-N 1 0 345.870 4.699 50 0 EJAARO C[C@H](N[C@@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 ZINC000095964882 564142907 /nfs/dbraw/zinc/14/29/07/564142907.db2.gz JCDNLUAWUKKVEU-GJZGRUSLSA-N 1 0 330.422 4.977 50 0 EJAARO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3cnc(C)nc3C)oc21 ZINC000095967181 564143037 /nfs/dbraw/zinc/14/30/37/564143037.db2.gz XYZVXJZMLQFPEP-JSGCOSHPSA-N 1 0 339.439 4.650 50 0 EJAARO COc1cc([C@H](C)[NH2+]Cc2ncccc2C)ccc1SC(F)F ZINC000095967776 564143087 /nfs/dbraw/zinc/14/30/87/564143087.db2.gz OTXYRKGTJFFCOP-LBPRGKRZSA-N 1 0 338.423 4.564 50 0 EJAARO CC[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 ZINC000095967880 564143091 /nfs/dbraw/zinc/14/30/91/564143091.db2.gz JZVARWKCSFVUCT-HNAYVOBHSA-N 1 0 325.456 4.600 50 0 EJAARO Cc1ncsc1[C@H](C)[NH2+]Cc1ccc(C)cc1OCC(F)(F)F ZINC000095969177 564143344 /nfs/dbraw/zinc/14/33/44/564143344.db2.gz WDJPNQVRLYVWGT-NSHDSACASA-N 1 0 344.402 4.552 50 0 EJAARO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)Cc1cccc2ccccc21 ZINC000096027611 564145025 /nfs/dbraw/zinc/14/50/25/564145025.db2.gz ZALLAOGWOZOXPR-JOCHJYFZSA-N 1 0 333.475 4.654 50 0 EJAARO CCCC[C@@]1(CC[NH2+][C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 ZINC000096116120 564145463 /nfs/dbraw/zinc/14/54/63/564145463.db2.gz QDPMBWGVEAFXML-YLJYHZDGSA-N 1 0 325.537 4.689 50 0 biogenic EJAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000058160714 564157873 /nfs/dbraw/zinc/15/78/73/564157873.db2.gz XKLYXBCXPBHGGD-NWDGAFQWSA-N 1 0 337.250 4.671 50 0 EJAARO CC1(C)C[C@@H]([NH2+]CC[C@H](Cc2ccccc2)c2ccccc2)CCO1 ZINC000032090560 564160653 /nfs/dbraw/zinc/16/06/53/564160653.db2.gz APLNCVHBUSGQIW-YADHBBJMSA-N 1 0 337.507 4.950 50 0 EJAARO CC1(C)C[C@H]([NH2+]CC[C@H](Cc2ccccc2)c2ccccc2)CCO1 ZINC000032090563 564160666 /nfs/dbraw/zinc/16/06/66/564160666.db2.gz APLNCVHBUSGQIW-FGZHOGPDSA-N 1 0 337.507 4.950 50 0 EJAARO CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000008126573 564162844 /nfs/dbraw/zinc/16/28/44/564162844.db2.gz QDWOPAICAFGVPC-NRFANRHFSA-N 1 0 336.479 4.758 50 0 EJAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320217 564164307 /nfs/dbraw/zinc/16/43/07/564164307.db2.gz BGOONDJWFCOMKF-SWLSCSKDSA-N 1 0 334.872 4.566 50 0 EJAARO Cc1sc(NC(=O)c2cccs2)c(C[NH+]2CCC(C)CC2)c1C ZINC000038546713 564165119 /nfs/dbraw/zinc/16/51/19/564165119.db2.gz LRIHWGHOJKLVTM-UHFFFAOYSA-N 1 0 348.537 4.911 50 0 EJAARO COc1ccc(Cl)c2c(=O)c(C[N@H+](C)C3CCCCC3)c(C)[nH]c12 ZINC000008717401 564166790 /nfs/dbraw/zinc/16/67/90/564166790.db2.gz KJGYSKIHYOLBLR-UHFFFAOYSA-N 1 0 348.874 4.675 50 0 EJAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717494 564166798 /nfs/dbraw/zinc/16/67/98/564166798.db2.gz IITLNJDSQUOJME-UHFFFAOYSA-N 1 0 330.472 4.516 50 0 EJAARO COc1ccc(-c2cc(C[N@H+]3CC=C(c4ccccc4)CC3)on2)cc1 ZINC000008853072 564167491 /nfs/dbraw/zinc/16/74/91/564167491.db2.gz LYYVOWQNOWCNDZ-UHFFFAOYSA-N 1 0 346.430 4.640 50 0 EJAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000539818841 564177683 /nfs/dbraw/zinc/17/76/83/564177683.db2.gz BKAZWKKKKCYERE-MRXNPFEDSA-N 1 0 330.497 4.655 50 0 EJAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000004745640 210266785 /nfs/dbraw/zinc/26/67/85/210266785.db2.gz UWISHQIHEOOXAU-UHFFFAOYSA-N 1 0 347.506 4.654 50 0 EJAARO FC(F)(F)c1ccccc1[C@H]1[NH2+]Cc2ccccc2-n2cccc21 ZINC000055028101 214265290 /nfs/dbraw/zinc/26/52/90/214265290.db2.gz XQKNXKHZYXBGMR-GOSISDBHSA-N 1 0 328.337 4.689 50 0 EJAARO c1ccc(COc2ccccc2C[NH2+][C@@H]2CCCc3ccccc32)nc1 ZINC000055472228 214325365 /nfs/dbraw/zinc/32/53/65/214325365.db2.gz CIQDHIQKDAAOGA-JOCHJYFZSA-N 1 0 344.458 4.828 50 0 EJAARO CCOc1ccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)cc1 ZINC000004678989 210244660 /nfs/dbraw/zinc/24/46/60/210244660.db2.gz YYQUTGMRTLCQTQ-UHFFFAOYSA-N 1 0 335.451 4.715 50 0 EJAARO Cc1ccc(-c2c[nH+]c(NCc3ccccc3Cl)n2C)cc1C ZINC000004678798 210244765 /nfs/dbraw/zinc/24/47/65/210244765.db2.gz NXJPYKGVIQYCCV-UHFFFAOYSA-N 1 0 325.843 4.969 50 0 EJAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1ccc(C(C)C)cc1 ZINC000004679256 210244641 /nfs/dbraw/zinc/24/46/41/210244641.db2.gz KZZIPHRJJKRGOK-UHFFFAOYSA-N 1 0 349.478 4.932 50 0 EJAARO COc1ccc(-c2c[nH+]c(NCc3c(F)cccc3Cl)n2C)cc1 ZINC000004678556 210244086 /nfs/dbraw/zinc/24/40/86/210244086.db2.gz MGPQTRJQXNENAU-UHFFFAOYSA-N 1 0 345.805 4.500 50 0 EJAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1Cl ZINC000004664857 210241940 /nfs/dbraw/zinc/24/19/40/210241940.db2.gz ZJSORPWYRKFLDQ-RWMBFGLXSA-N 1 0 344.282 4.802 50 0 EJAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccc2ccccc21 ZINC000058357684 214561509 /nfs/dbraw/zinc/56/15/09/214561509.db2.gz BSUQVSIVLLETKJ-UHFFFAOYSA-N 1 0 327.431 4.658 50 0 EJAARO O=C(CCCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000004122132 210126255 /nfs/dbraw/zinc/12/62/55/210126255.db2.gz RBURCGBYRAOMLD-LJQANCHMSA-N 1 0 325.427 4.668 50 0 EJAARO CC[C@H](C)[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004073707 210113876 /nfs/dbraw/zinc/11/38/76/210113876.db2.gz BQRBPWDQFAYRAI-ZDUSSCGKSA-N 1 0 338.278 4.617 50 0 EJAARO CC(C)OP(=O)(OC(C)C)[C@H]([NH3+])CC12CC3CC(CC(C3)C1)C2 ZINC000003900017 210088050 /nfs/dbraw/zinc/08/80/50/210088050.db2.gz WUUDGCVRDYMTOY-LESVLKBLSA-N 1 0 343.448 4.921 50 0 EJAARO CCC[NH+](CCC)C[C@@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 ZINC000003068317 209961302 /nfs/dbraw/zinc/96/13/02/209961302.db2.gz YTAMEPAICSZHEE-FCHUYYIVSA-N 1 0 341.495 4.634 50 0 EJAARO Fc1c(C[NH+]2CCCC2)cccc1Oc1ccc(-c2ccccc2)nn1 ZINC000067785010 215210821 /nfs/dbraw/zinc/21/08/21/215210821.db2.gz NQGWFZHPPLWJKY-UHFFFAOYSA-N 1 0 349.409 4.671 50 0 EJAARO Fc1c(C[NH+]2CCCC2)cccc1Oc1ccc(C(F)(F)F)cn1 ZINC000067817708 215220622 /nfs/dbraw/zinc/22/06/22/215220622.db2.gz AZOPOQJCZKCRTE-UHFFFAOYSA-N 1 0 340.320 4.628 50 0 EJAARO Cc1cc(C[NH+]2CCCC2)cc(Oc2ccc(-c3ccccc3)nn2)c1 ZINC000067804624 215216667 /nfs/dbraw/zinc/21/66/67/215216667.db2.gz RMFWDUCBQKIKDJ-UHFFFAOYSA-N 1 0 345.446 4.840 50 0 EJAARO CCCC[NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1 ZINC000002863701 209929970 /nfs/dbraw/zinc/92/99/70/209929970.db2.gz GMELRTMYHZYNLM-UHFFFAOYSA-N 1 0 344.293 4.526 50 0 EJAARO Cc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038833495 213228883 /nfs/dbraw/zinc/22/88/83/213228883.db2.gz QPAVCGCBWRJJFS-UHFFFAOYSA-N 1 0 336.479 4.932 50 0 EJAARO COc1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1OC ZINC000019841295 202023629 /nfs/dbraw/zinc/02/36/29/202023629.db2.gz WNAJNQBJGGAVNR-OAQYLSRUSA-N 1 0 347.458 4.777 50 0 EJAARO Fc1cccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864944 202056161 /nfs/dbraw/zinc/05/61/61/202056161.db2.gz OKQIRETVJSRVTP-IBGZPJMESA-N 1 0 338.451 4.749 50 0 EJAARO CCCC[C@@H](CC)CN1CN(C[C@@H](CC)CCCC)C[C@](C)([NH3+])C1 ZINC000100734829 202077146 /nfs/dbraw/zinc/07/71/46/202077146.db2.gz DTOUUUZOYKYHEP-WKCHPHFGSA-N 1 0 339.612 4.712 50 0 world EJAARO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029483239 202187602 /nfs/dbraw/zinc/18/76/02/202187602.db2.gz LAJFWEOTBROKHK-MRXNPFEDSA-N 1 0 349.261 4.551 50 0 EJAARO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(C)cc1 ZINC000036347248 213086310 /nfs/dbraw/zinc/08/63/10/213086310.db2.gz HJYSYLDJMUEIGQ-HSZRJFAPSA-N 1 0 346.474 4.800 50 0 EJAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000036347633 213085881 /nfs/dbraw/zinc/08/58/81/213085881.db2.gz CJTSGMCFXDGPMI-JOCHJYFZSA-N 1 0 334.438 4.931 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000033087197 202249205 /nfs/dbraw/zinc/24/92/05/202249205.db2.gz CSCQVXKAXQTZLX-FQEVSTJZSA-N 1 0 343.442 4.960 50 0 EJAARO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)c1OC ZINC000033087265 202249246 /nfs/dbraw/zinc/24/92/46/202249246.db2.gz QMMIBYHLGODFQZ-IBGZPJMESA-N 1 0 343.442 4.960 50 0 EJAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)c1 ZINC000036347847 202321579 /nfs/dbraw/zinc/32/15/79/202321579.db2.gz FWONTTWTTGBZJY-QFIPXVFZSA-N 1 0 334.438 4.931 50 0 EJAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000036347243 202321710 /nfs/dbraw/zinc/32/17/10/202321710.db2.gz CBPXPKGDNUQOOJ-QHCPKHFHSA-N 1 0 346.474 4.800 50 0 EJAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)CCCC2 ZINC000007985283 201363014 /nfs/dbraw/zinc/36/30/14/201363014.db2.gz MDKOONLZSMASDB-QGZVFWFLSA-N 1 0 331.463 4.602 50 0 EJAARO CN(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)c1ccco1 ZINC000022787433 212324808 /nfs/dbraw/zinc/32/48/08/212324808.db2.gz HIFWUDINYJNRML-QGZVFWFLSA-N 1 0 344.842 4.586 50 0 EJAARO c1ccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022877093 212331583 /nfs/dbraw/zinc/33/15/83/212331583.db2.gz IGBRRSIHEGCUEN-XMMPIXPASA-N 1 0 348.534 4.921 50 0 in-vitro EJAARO c1cc(-c2ccccc2)sc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000216384504 241187717 /nfs/dbraw/zinc/18/77/17/241187717.db2.gz YCWWHKIVCOTAPV-UHFFFAOYSA-N 1 0 335.476 4.585 50 0 EJAARO COc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000216462617 241196168 /nfs/dbraw/zinc/19/61/68/241196168.db2.gz OMZOXTMKSWAMNR-GOSISDBHSA-N 1 0 343.442 4.527 50 0 EJAARO Cc1noc(C)c1CCC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000225510000 241905951 /nfs/dbraw/zinc/90/59/51/241905951.db2.gz PJMOMULGHIXFGN-HXUWFJFHSA-N 1 0 337.467 4.681 50 0 EJAARO c1coc([C@H](CC[NH2+]Cc2ccc3c(c2)OCO3)Cc2ccccc2)c1 ZINC000002137577 201525264 /nfs/dbraw/zinc/52/52/64/201525264.db2.gz MYFUARFSKYJVSQ-LJQANCHMSA-N 1 0 349.430 4.515 50 0 biogenic EJAARO Cc1ccc(C[N@@H+](Cc2ccncc2)C[C@H]2CCOC(C)(C)C2)s1 ZINC000244874918 243095548 /nfs/dbraw/zinc/09/55/48/243095548.db2.gz XJOHMGRWZGXONG-SFHVURJKSA-N 1 0 344.524 4.659 50 0 EJAARO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000071774985 203111978 /nfs/dbraw/zinc/11/19/78/203111978.db2.gz UDBHGHCHSNJGCM-KRWDZBQOSA-N 1 0 348.412 4.945 50 0 EJAARO COc1cccc([C@@H](C)[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000072309165 203199568 /nfs/dbraw/zinc/19/95/68/203199568.db2.gz OEJHUAJNDSIKGH-OAHLLOKOSA-N 1 0 335.451 4.512 50 0 EJAARO Cc1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000020166847 212108807 /nfs/dbraw/zinc/10/88/07/212108807.db2.gz QABLTKMPCIUMRR-ROUUACIJSA-N 1 0 333.516 4.561 50 0 EJAARO C(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)CC[NH+]1CCCC1 ZINC000019859154 212076369 /nfs/dbraw/zinc/07/63/69/212076369.db2.gz KGABXZPVXFCMPO-KAVGSWPWSA-N 1 0 346.518 4.811 50 0 EJAARO CCc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019842331 212075209 /nfs/dbraw/zinc/07/52/09/212075209.db2.gz TUBIVBDSUFUPIB-UHFFFAOYSA-N 1 0 344.502 4.720 50 0 EJAARO C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000110534767 220043268 /nfs/dbraw/zinc/04/32/68/220043268.db2.gz QPCFTGNGVCQFQN-BTYIYWSLSA-N 1 0 341.426 4.808 50 0 EJAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+][C@H]1CCc2ccccc21 ZINC000012434312 211380667 /nfs/dbraw/zinc/38/06/67/211380667.db2.gz ABPZFWYSAZFVOZ-SFHVURJKSA-N 1 0 329.403 4.600 50 0 EJAARO CC1(C)C[C@](CC[NH2+]Cc2ccccc2)(Cc2ccccc2)CCO1 ZINC000012384393 211363323 /nfs/dbraw/zinc/36/33/23/211363323.db2.gz UEWIGVOOLPSOOV-QHCPKHFHSA-N 1 0 337.507 4.984 50 0 EJAARO Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CC[C@@](O)(C2CCC2)[C@H](C)C1 ZINC000091547032 218020846 /nfs/dbraw/zinc/02/08/46/218020846.db2.gz ZNVNRWXYQWKOIK-XCLFUZPHSA-N 1 0 346.902 4.503 50 0 EJAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000010436009 211173258 /nfs/dbraw/zinc/17/32/58/211173258.db2.gz PQKGRXKKBZOKDH-UHFFFAOYSA-N 1 0 337.822 4.565 50 0 EJAARO Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000010372126 211168255 /nfs/dbraw/zinc/16/82/55/211168255.db2.gz JBXSZJSGKFTIFD-UHFFFAOYSA-N 1 0 336.479 4.850 50 0 EJAARO CSc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010336576 211166192 /nfs/dbraw/zinc/16/61/92/211166192.db2.gz ZLKMXWOIPIWABC-UHFFFAOYSA-N 1 0 340.492 4.647 50 0 EJAARO Cc1cccc(NC(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)c1 ZINC000010330492 211163794 /nfs/dbraw/zinc/16/37/94/211163794.db2.gz XFKBSQSMIOIFRE-NRFANRHFSA-N 1 0 347.462 4.573 50 0 EJAARO COc1cc(C)c(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1OC ZINC000095356879 218290642 /nfs/dbraw/zinc/29/06/42/218290642.db2.gz FIGKCTXRBUGTOP-IBGZPJMESA-N 1 0 340.467 4.525 50 0 EJAARO COc1cc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)ccc1SC ZINC000095419369 218359696 /nfs/dbraw/zinc/35/96/96/218359696.db2.gz CYWWOYIAZAYJRO-XJKSGUPXSA-N 1 0 329.465 4.592 50 0 EJAARO COc1cc([C@@H](C)[NH2+]Cc2scnc2C)ccc1SC(F)F ZINC000095421967 218364295 /nfs/dbraw/zinc/36/42/95/218364295.db2.gz OHZHLQBHOIOIKC-SECBINFHSA-N 1 0 344.452 4.626 50 0 EJAARO CC[NH2+]CC[C@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000006757929 210704605 /nfs/dbraw/zinc/70/46/05/210704605.db2.gz CEMMJTGSAMMZLF-KRWDZBQOSA-N 1 0 329.406 4.532 50 0 EJAARO Clc1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)c(Cl)c1 ZINC000004942924 210334847 /nfs/dbraw/zinc/33/48/47/210334847.db2.gz XYLUVNTVEXORRX-UHFFFAOYSA-N 1 0 333.218 4.938 50 0 EJAARO CC1CC[NH+](CCCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004845325 210297363 /nfs/dbraw/zinc/29/73/63/210297363.db2.gz NXCCEAXDSDHMQI-UHFFFAOYSA-N 1 0 339.479 4.766 50 0 EJAARO CC(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000004821209 519726351 /nfs/dbraw/zinc/72/63/51/519726351.db2.gz IIIVMSZGSFSEHF-UHFFFAOYSA-N 1 0 334.257 4.526 50 0 EJAARO CC[NH+](CC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000076010 520574922 /nfs/dbraw/zinc/57/49/22/520574922.db2.gz ZBXHFTAFUQTTJP-UHFFFAOYSA-N 1 0 346.883 4.811 50 0 EJAARO CCCC[NH2+]CCCCOc1ccc(Cl)cc1Br ZINC000003001204 520692295 /nfs/dbraw/zinc/69/22/95/520692295.db2.gz XAERWOCDRICVMP-UHFFFAOYSA-N 1 0 334.685 4.651 50 0 EJAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000029052062 521350499 /nfs/dbraw/zinc/35/04/99/521350499.db2.gz HRTBJXSEENXKAA-UHFFFAOYSA-N 1 0 346.858 4.849 50 0 EJAARO CC(C)(C)c1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042770547 563924842 /nfs/dbraw/zinc/92/48/42/563924842.db2.gz KEVUUGVAHRRPIG-UHFFFAOYSA-N 1 0 340.305 4.515 50 0 EJAARO Cc1cc(C)c(OCCC[NH2+]Cc2ccccc2)c(Br)c1 ZINC000002822538 564116920 /nfs/dbraw/zinc/11/69/20/564116920.db2.gz OWZSNURTXDWXRN-UHFFFAOYSA-N 1 0 348.284 4.625 50 0 EJAARO C[NH+](C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000000002264 563211468 /nfs/dbraw/zinc/21/14/68/563211468.db2.gz HDOZVRUNCMBHFH-UHFFFAOYSA-N 1 0 331.868 4.881 50 0 world EJAARO FC(F)(F)c1cccc(N2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000000279920 563271575 /nfs/dbraw/zinc/27/15/75/563271575.db2.gz KBBBHDBPAVYWLF-UHFFFAOYSA-N 1 0 326.406 4.550 50 0 EJAARO Cc1ccc2c(c1)[C@H](OC1CC[NH+](C)CC1)c1ccccc1CS2 ZINC000000347745 563288361 /nfs/dbraw/zinc/28/83/61/563288361.db2.gz NJIORWAXOOZLBW-OAQYLSRUSA-N 1 0 339.504 4.801 50 0 EJAARO CC[NH+](CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12 ZINC000001535009 563391689 /nfs/dbraw/zinc/39/16/89/563391689.db2.gz RVAKDGYPIVSYEU-UHFFFAOYSA-N 1 0 343.515 4.866 50 0 biogenic,investigational EJAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1 ZINC000001809905 563413064 /nfs/dbraw/zinc/41/30/64/563413064.db2.gz APRDXPRFHJTFDV-NHCUHLMSSA-N 1 0 327.468 4.676 50 0 biogenic EJAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccccc1F)c1ccco1 ZINC000001820871 563413700 /nfs/dbraw/zinc/41/37/00/563413700.db2.gz LPSASRYAMPFRQZ-SFHVURJKSA-N 1 0 339.410 4.739 50 0 EJAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)nc2cc(Cl)ccc21 ZINC000002268141 563428113 /nfs/dbraw/zinc/42/81/13/563428113.db2.gz AJYXURRZDRISPR-CYBMUJFWSA-N 1 0 334.895 4.514 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1C(F)(F)F ZINC000002514521 563435236 /nfs/dbraw/zinc/43/52/36/563435236.db2.gz MBTOGVFKJWVFTG-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000002514584 563435615 /nfs/dbraw/zinc/43/56/15/563435615.db2.gz ICBAZHXNLIPZBN-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1cc(F)cc(Cl)c1 ZINC000002515027 563435828 /nfs/dbraw/zinc/43/58/28/563435828.db2.gz URLDALNFFCKOIW-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)c(Cl)c1 ZINC000002515019 563435901 /nfs/dbraw/zinc/43/59/01/563435901.db2.gz HGHUSDJDRSWVRY-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)ccc1Cl ZINC000002515086 563436321 /nfs/dbraw/zinc/43/63/21/563436321.db2.gz GYGCGBWOCCHXSL-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515088 563436453 /nfs/dbraw/zinc/43/64/53/563436453.db2.gz KXBJLBBZMNBYGI-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO O=C(c1cccc(C(F)(F)F)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515520 563436617 /nfs/dbraw/zinc/43/66/17/563436617.db2.gz PWACEDBGFLPPSC-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO c1ccc(-c2ccccc2OCCOCC[NH+]2CCCCCC2)cc1 ZINC000002839021 563454334 /nfs/dbraw/zinc/45/43/34/563454334.db2.gz IQZLKQVGPFOQGU-UHFFFAOYSA-N 1 0 339.479 4.625 50 0 EJAARO Cc1cc(Br)ccc1OCCCC[NH+]1CCCCCC1 ZINC000002838843 563454353 /nfs/dbraw/zinc/45/43/53/563454353.db2.gz LMJBEKGHLXDRLB-UHFFFAOYSA-N 1 0 340.305 4.793 50 0 EJAARO CCCC[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1Cl ZINC000002862287 563456966 /nfs/dbraw/zinc/45/69/66/563456966.db2.gz IWYNVCQHOVLKFC-UHFFFAOYSA-N 1 0 333.859 4.817 50 0 EJAARO CCCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OCC)c1 ZINC000002893955 563462422 /nfs/dbraw/zinc/46/24/22/563462422.db2.gz FIKDGJNCQIQKFT-UHFFFAOYSA-N 1 0 327.468 4.896 50 0 EJAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000004980959 563516931 /nfs/dbraw/zinc/51/69/31/563516931.db2.gz HWTIGYMZOMDMMW-UHFFFAOYSA-N 1 0 348.412 4.644 50 0 EJAARO CC(C)=CCCCCCC[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000004980596 563517110 /nfs/dbraw/zinc/51/71/10/563517110.db2.gz QXCHSONHRIYPBT-UHFFFAOYSA-N 1 0 342.527 4.928 50 0 EJAARO Clc1ccccc1COc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000006704045 563581299 /nfs/dbraw/zinc/58/12/99/563581299.db2.gz DBQVOHIQFCSZSA-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO CC[NH+](CC)[C@H]1C(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000006783628 563585996 /nfs/dbraw/zinc/58/59/96/563585996.db2.gz VBMSIUSIEAGKMP-QZTJIDSGSA-N 1 0 328.843 4.784 50 0 EJAARO CC[NH+](CC)[C@@H]1C(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000006783631 563586465 /nfs/dbraw/zinc/58/64/65/563586465.db2.gz VBMSIUSIEAGKMP-ROUUACIJSA-N 1 0 328.843 4.784 50 0 EJAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccco3)c2)cc1 ZINC000007523642 563603832 /nfs/dbraw/zinc/60/38/32/563603832.db2.gz MZKBYQPFEPRQTC-UHFFFAOYSA-N 1 0 327.811 4.802 50 0 EJAARO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1 ZINC000007525186 563604707 /nfs/dbraw/zinc/60/47/07/563604707.db2.gz MDPARPMNULHIMP-UHFFFAOYSA-N 1 0 347.458 4.872 50 0 EJAARO Clc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c(Cl)c1 ZINC000007538918 563605112 /nfs/dbraw/zinc/60/51/12/563605112.db2.gz PLXZZYRPDMAFKU-LBPRGKRZSA-N 1 0 326.223 4.522 50 0 EJAARO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1Cl ZINC000007539524 563605581 /nfs/dbraw/zinc/60/55/81/563605581.db2.gz DLZXQADFDORENT-UHFFFAOYSA-N 1 0 327.811 4.898 50 0 EJAARO [NH2+]=c1c2c(n(Cc3ccc(Cl)c(Cl)c3)c3ccccc13)CCC2 ZINC000005557441 563622796 /nfs/dbraw/zinc/62/27/96/563622796.db2.gz DFJZIWBALYOZPI-UHFFFAOYSA-N 1 0 343.257 4.965 50 0 EJAARO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(OC)cc1 ZINC000008325125 563626550 /nfs/dbraw/zinc/62/65/50/563626550.db2.gz MJMOMWDHCRSUHT-UHFFFAOYSA-N 1 0 335.447 4.579 50 0 EJAARO Clc1ccccc1COc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000008435783 563630019 /nfs/dbraw/zinc/63/00/19/563630019.db2.gz XTKNDFGDDQUVMR-UHFFFAOYSA-N 1 0 338.838 4.604 50 0 EJAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717360 563637330 /nfs/dbraw/zinc/63/73/30/563637330.db2.gz RTKLENVHERHMBT-UHFFFAOYSA-N 1 0 343.515 4.717 50 0 EJAARO Cc1ccc(Cl)cc1-n1ncc2c1ncnc2NC1CCCCC1 ZINC000004354735 563665687 /nfs/dbraw/zinc/66/56/87/563665687.db2.gz NSBHRYJDNAEKNQ-UHFFFAOYSA-N 1 0 341.846 4.522 50 0 EJAARO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000012806661 563674420 /nfs/dbraw/zinc/67/44/20/563674420.db2.gz LOCSQFVTNWLUJX-GOSISDBHSA-N 1 0 346.474 4.916 50 0 EJAARO Oc1ccc([C@H]2[NH2+]C[C@@H](c3cccs3)c3c4ccccc4[nH]c32)cc1 ZINC000032666108 563678284 /nfs/dbraw/zinc/67/82/84/563678284.db2.gz VRGSDOREZIQCQX-OXJNMPFZSA-N 1 0 346.455 4.760 50 0 EJAARO O=C(Nc1cccc(Cl)c1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000013720477 563716464 /nfs/dbraw/zinc/71/64/64/563716464.db2.gz WQRCUOHVMUYBKG-SFHVURJKSA-N 1 0 349.906 4.602 50 0 EJAARO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014951017 563767455 /nfs/dbraw/zinc/76/74/55/563767455.db2.gz CEIGJLJPZNTIDK-HNNXBMFYSA-N 1 0 338.476 4.633 50 0 EJAARO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](CC(C)C)C2 ZINC000015004102 563771460 /nfs/dbraw/zinc/77/14/60/563771460.db2.gz MAOROZMHUHLHIU-UHFFFAOYSA-N 1 0 331.481 4.583 50 0 EJAARO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000015452708 563784569 /nfs/dbraw/zinc/78/45/69/563784569.db2.gz PBWZGCKMUODASB-BTYIYWSLSA-N 1 0 348.446 4.585 50 0 EJAARO Clc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1 ZINC000017205996 563840642 /nfs/dbraw/zinc/84/06/42/563840642.db2.gz KEPXZMAZPCSYCM-UHFFFAOYSA-N 1 0 344.265 4.744 50 0 EJAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1C(C)(C)C ZINC000005632384 563862872 /nfs/dbraw/zinc/86/28/72/563862872.db2.gz REWPXUMDEXVILI-INIZCTEOSA-N 1 0 335.532 4.528 50 0 EJAARO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925510 563904692 /nfs/dbraw/zinc/90/46/92/563904692.db2.gz CRXHIPAGZPAZHK-LLVKDONJSA-N 1 0 334.872 4.601 50 0 EJAARO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCc2ccccc21 ZINC000029483142 563906745 /nfs/dbraw/zinc/90/67/45/563906745.db2.gz GSAJXLASTZAOOU-MRXNPFEDSA-N 1 0 349.261 4.551 50 0 EJAARO c1ccc(COc2cccc(C[NH2+][C@@H]3CCCc4ccccc43)c2)nc1 ZINC000030543926 563909979 /nfs/dbraw/zinc/90/99/79/563909979.db2.gz IDSINAZBLOBNQJ-HSZRJFAPSA-N 1 0 344.458 4.828 50 0 EJAARO COc1ccc(OC)c(C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087293 563915058 /nfs/dbraw/zinc/91/50/58/563915058.db2.gz DGSIVZKCOSKQEJ-KRWDZBQOSA-N 1 0 331.481 4.883 50 0 EJAARO CC1(C)C[C@H](C[NH2+]CC[C@@H](c2ccco2)c2ccccc2)CCO1 ZINC000002139703 563917912 /nfs/dbraw/zinc/91/79/12/563917912.db2.gz YLIFUTNQCPIQQY-IEBWSBKVSA-N 1 0 327.468 4.596 50 0 biogenic EJAARO CCCC[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000002498480 563918036 /nfs/dbraw/zinc/91/80/36/563918036.db2.gz VHWMXBWTEFLTJQ-UHFFFAOYSA-N 1 0 336.523 4.953 50 0 EJAARO c1ccc(COc2ccc(OCCC[NH+]3CCCCC3)cc2)cc1 ZINC000003460628 563918826 /nfs/dbraw/zinc/91/88/26/563918826.db2.gz ZHTQDAFKFNIAEJ-UHFFFAOYSA-N 1 0 325.452 4.520 50 0 EJAARO CC(C)(c1ccccc1)c1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775457 563925050 /nfs/dbraw/zinc/92/50/50/563925050.db2.gz HSNMAHZLVSJWPD-UHFFFAOYSA-N 1 0 329.871 4.797 50 0 EJAARO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000043041317 563925126 /nfs/dbraw/zinc/92/51/26/563925126.db2.gz MJANJNPOAFNFCI-SFHVURJKSA-N 1 0 335.426 4.595 50 0 EJAARO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)cc1O ZINC000058023011 563936861 /nfs/dbraw/zinc/93/68/61/563936861.db2.gz FLGZSBJZNJHYCM-QFIPXVFZSA-N 1 0 333.431 4.588 50 0 EJAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000058167026 563938734 /nfs/dbraw/zinc/93/87/34/563938734.db2.gz ZRMMSXNSQYOQIJ-UHFFFAOYSA-N 1 0 341.838 4.695 50 0 EJAARO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000058296538 563941996 /nfs/dbraw/zinc/94/19/96/563941996.db2.gz XROXYMNMHRWABA-IBGZPJMESA-N 1 0 337.442 4.841 50 0 EJAARO FC(F)(F)c1cccc2c(-c3cccc4c3CC[NH2+]C4)ccnc21 ZINC000071760460 563965371 /nfs/dbraw/zinc/96/53/71/563965371.db2.gz UVHMGFZSJXAJMB-UHFFFAOYSA-N 1 0 328.337 4.566 50 0 EJAARO C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1cccc(-n2cccn2)c1 ZINC000072925019 563981240 /nfs/dbraw/zinc/98/12/40/563981240.db2.gz RNSXYCWRIQJGFT-AWEZNQCLSA-N 1 0 335.382 4.608 50 0 EJAARO c1csc([C@@H](C[NH2+]Cc2cccnc2)c2c[nH]c3ccccc32)c1 ZINC000061014007 563992337 /nfs/dbraw/zinc/99/23/37/563992337.db2.gz LCARFNAGLFSNAL-SFHVURJKSA-N 1 0 333.460 4.546 50 0 EJAARO CC(C)(C)[C@H](NCc1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000136066111 563997566 /nfs/dbraw/zinc/99/75/66/563997566.db2.gz NUFMXUVBRHSLPS-IAGOWNOFSA-N 1 0 330.497 4.872 50 0 EJAARO CCO[C@H](c1ccccc1)c1ccc2c(c1)C[N@H+](C1CCC1)CCO2 ZINC000015005755 564000223 /nfs/dbraw/zinc/00/02/23/564000223.db2.gz FZODQJUXLSVGRQ-JOCHJYFZSA-N 1 0 337.463 4.559 50 0 EJAARO COc1ccc([C@H](CC[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1 ZINC000005478145 564004536 /nfs/dbraw/zinc/00/45/36/564004536.db2.gz LNTUBGPCAUYINL-OAQYLSRUSA-N 1 0 339.410 4.739 50 0 EJAARO C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2Cl)C1 ZINC000005525686 564004952 /nfs/dbraw/zinc/00/49/52/564004952.db2.gz TZYCOGSJLNLMCK-JKSUJKDBSA-N 1 0 334.246 4.522 50 0 EJAARO COc1cccc(C[NH2+]C2CCC(c3ccccc3)CC2)c1OC ZINC000016663303 564024669 /nfs/dbraw/zinc/02/46/69/564024669.db2.gz UJIIIODZDAWDSO-UHFFFAOYSA-N 1 0 325.452 4.520 50 0 EJAARO C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1C[NH+](C)C ZINC000048374505 564031568 /nfs/dbraw/zinc/03/15/68/564031568.db2.gz GLVLLBGAURBPHW-CYBMUJFWSA-N 1 0 348.899 4.521 50 0 EJAARO CCOc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1c(C)noc1C)CCC2 ZINC000215939412 564033703 /nfs/dbraw/zinc/03/37/03/564033703.db2.gz GKVZWNQEUKMUGC-IBGZPJMESA-N 1 0 340.467 4.516 50 0 EJAARO O=C(CN(Cc1ccccc1)C1CC1)Nc1c(Cl)cccc1Cl ZINC000025120125 564053314 /nfs/dbraw/zinc/05/33/14/564053314.db2.gz VJXLNCJRRNGOLX-UHFFFAOYSA-N 1 0 349.261 4.597 50 0 EJAARO Cc1ccc(C(C)C)c(OCCCCCC[NH2+]C[C@H]2CCCO2)c1 ZINC000005856425 564056652 /nfs/dbraw/zinc/05/66/52/564056652.db2.gz LHQBJAXIPLIGRV-LJQANCHMSA-N 1 0 333.516 4.826 50 0 EJAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC000001825405 564057944 /nfs/dbraw/zinc/05/79/44/564057944.db2.gz WNFVLBAWTDPPDE-OAQYLSRUSA-N 1 0 327.468 4.623 50 0 biogenic EJAARO COc1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000534583220 564061105 /nfs/dbraw/zinc/06/11/05/564061105.db2.gz DKIGCUMCXZZRSN-HNNXBMFYSA-N 1 0 341.451 4.536 50 0 EJAARO Cc1nnc(-c2cccc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)c2)o1 ZINC000534590224 564061236 /nfs/dbraw/zinc/06/12/36/564061236.db2.gz CVYCBMUNMLVVLE-HNNXBMFYSA-N 1 0 333.435 4.869 50 0 EJAARO C[C@H](c1cccc(-c2ccc(Cn3ccnc3)cc2)c1)[NH+]1CCCC1 ZINC000534675682 564061654 /nfs/dbraw/zinc/06/16/54/564061654.db2.gz SSZDQKPTOBEBLF-GOSISDBHSA-N 1 0 331.463 4.755 50 0 EJAARO Fc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(F)cc3cccnc32)c1 ZINC000084372411 564067977 /nfs/dbraw/zinc/06/79/77/564067977.db2.gz WWLQFPMMNQGYPR-HXUWFJFHSA-N 1 0 338.401 4.720 50 0 EJAARO Clc1cccc(-c2nc(C[N@@H+]3CC[C@H](c4ccccc4)C3)co2)c1 ZINC000084525550 564068485 /nfs/dbraw/zinc/06/84/85/564068485.db2.gz JTKDDUAFOXBGTQ-KRWDZBQOSA-N 1 0 338.838 4.985 50 0 EJAARO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)c1cccc3ccccc31)C2 ZINC000084656347 564069436 /nfs/dbraw/zinc/06/94/36/564069436.db2.gz MDQAABQLEKQAOY-INIZCTEOSA-N 1 0 344.458 4.918 50 0 EJAARO CC[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000084734192 564069860 /nfs/dbraw/zinc/06/98/60/564069860.db2.gz VKXWONRIICWBHO-HXUWFJFHSA-N 1 0 333.431 4.852 50 0 EJAARO C[C@H]([C@@H](O)c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000031923529 564076112 /nfs/dbraw/zinc/07/61/12/564076112.db2.gz BOZCOAZLVQXGKP-AUSIDOKSSA-N 1 0 331.459 4.811 50 0 EJAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000015836740 564076413 /nfs/dbraw/zinc/07/64/13/564076413.db2.gz IQVMMMAFPKFDFR-KRWDZBQOSA-N 1 0 331.843 4.781 50 0 EJAARO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862271 564077030 /nfs/dbraw/zinc/07/70/30/564077030.db2.gz QQKHIIQJMHHSBQ-UHFFFAOYSA-N 1 0 342.389 4.631 50 0 EJAARO C[C@H](CC[N@@H+]1CCN2CCC[C@H]2[C@@H]1C1CCCCC1)c1ccccc1 ZINC000239306250 564088049 /nfs/dbraw/zinc/08/80/49/564088049.db2.gz GPUZEMUACDCDIM-OIBXWCBGSA-N 1 0 340.555 4.909 50 0 EJAARO CCCCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000239433697 564088141 /nfs/dbraw/zinc/08/81/41/564088141.db2.gz YIBLLNKVEAJJCJ-ACESQOTJSA-N 1 0 337.507 5.362 50 0 EJAARO CCCCCCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1OC ZINC000001810818 564088689 /nfs/dbraw/zinc/08/86/89/564088689.db2.gz OFCJFXFFPRPKRZ-CMDGGOBGSA-N 1 0 326.460 4.649 50 0 EJAARO COc1ccc(SC[C@H]2C[N@H+](C)CC[C@H]2c2ccc(F)cc2)cc1 ZINC000248128464 564089262 /nfs/dbraw/zinc/08/92/62/564089262.db2.gz MLARQDLTIVCLRN-UZLBHIALSA-N 1 0 345.483 4.662 50 0 EJAARO C[C@H]1CCC[N@H+](CCOc2ccc3ccccc3c2Br)C1 ZINC000004914380 564093172 /nfs/dbraw/zinc/09/31/72/564093172.db2.gz AIMUFYVOHLVFCJ-AWEZNQCLSA-N 1 0 348.284 4.713 50 0 EJAARO C[C@@H](c1cccc(-c2cc3sc(N)nc3c(F)c2)c1)[NH+]1CCCC1 ZINC000426421145 564093662 /nfs/dbraw/zinc/09/36/62/564093662.db2.gz LHNLODNOTIRINA-LBPRGKRZSA-N 1 0 341.455 4.672 50 0 EJAARO C[C@H](c1cccc(-c2cc3sc(N)nc3c(F)c2)c1)[NH+]1CCCC1 ZINC000426421137 564093667 /nfs/dbraw/zinc/09/36/67/564093667.db2.gz LHNLODNOTIRINA-GFCCVEGCSA-N 1 0 341.455 4.672 50 0 EJAARO CC(C)OP(=O)(OC(C)C)[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000006762705 564097342 /nfs/dbraw/zinc/09/73/42/564097342.db2.gz YXAOLNQFCZWDQD-YYUOFMGYSA-N 1 0 329.421 4.531 50 0 EJAARO Cc1cccc(N2CC[NH+](Cc3csc4c3CCCC4)CC2)c1C ZINC000006797675 564098051 /nfs/dbraw/zinc/09/80/51/564098051.db2.gz PPGJLHUHLQLOKE-UHFFFAOYSA-N 1 0 340.536 4.566 50 0 EJAARO Cc1cccc(N2CC[N@@H+](Cc3csc4c3CCCC4)C[C@@H]2C)c1 ZINC000006797679 564098074 /nfs/dbraw/zinc/09/80/74/564098074.db2.gz QMBQRZDGSHQVMY-KRWDZBQOSA-N 1 0 340.536 4.646 50 0 EJAARO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccc(F)c1 ZINC000007017379 564103177 /nfs/dbraw/zinc/10/31/77/564103177.db2.gz AAAJJUYBXZPZRY-UHFFFAOYSA-N 1 0 348.421 4.710 50 0 EJAARO C[C@@H]([NH2+]Cc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000071816969 564111219 /nfs/dbraw/zinc/11/12/19/564111219.db2.gz REYNKNUNNJSNCU-QGZVFWFLSA-N 1 0 345.442 4.976 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1Cl ZINC000013325204 564111543 /nfs/dbraw/zinc/11/15/43/564111543.db2.gz UCKJBNZIKOQVHA-UHFFFAOYSA-N 1 0 329.831 4.580 50 0 EJAARO Cc1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cc1F ZINC000675076126 564113275 /nfs/dbraw/zinc/11/32/75/564113275.db2.gz YZZIMBVNQDVPME-UHFFFAOYSA-N 1 0 342.639 4.840 50 0 EJAARO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000089905719 564115087 /nfs/dbraw/zinc/11/50/87/564115087.db2.gz IGZYBILAXICEQQ-KRWDZBQOSA-N 1 0 330.431 4.643 50 0 EJAARO CCOc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]2C(C)(C)CC)n1 ZINC000089941989 564115552 /nfs/dbraw/zinc/11/55/52/564115552.db2.gz DKHDYLXUDBXEQY-KRWDZBQOSA-N 1 0 343.471 4.536 50 0 EJAARO Cc1cc(C)c(OCCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000002822488 564116932 /nfs/dbraw/zinc/11/69/32/564116932.db2.gz VAESAOPTTWVSLB-CYBMUJFWSA-N 1 0 340.305 4.567 50 0 EJAARO Cc1cc(Br)ccc1OCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002824874 564117046 /nfs/dbraw/zinc/11/70/46/564117046.db2.gz VWMVMSIKIGCBCD-KBPBESRZSA-N 1 0 340.305 4.504 50 0 EJAARO O=C(C[NH+]1CCCCCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000007779711 564123115 /nfs/dbraw/zinc/12/31/15/564123115.db2.gz HZLTZQDGMYTUSS-UHFFFAOYSA-N 1 0 348.796 4.563 50 0 EJAARO Cc1ccc2c(c1)nc(CC[NH2+]Cc1c(Cl)cccc1Cl)n2C ZINC000078823163 564137232 /nfs/dbraw/zinc/13/72/32/564137232.db2.gz CFOLUVDKGPVPRD-UHFFFAOYSA-N 1 0 348.277 4.521 50 0 EJAARO COc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cc1OC ZINC000095356878 564139283 /nfs/dbraw/zinc/13/92/83/564139283.db2.gz FIGKCTXRBUGTOP-LJQANCHMSA-N 1 0 340.467 4.525 50 0 EJAARO CSc1cc(C)ccc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000095411071 564139686 /nfs/dbraw/zinc/13/96/86/564139686.db2.gz OZKAMDKUZKHYKC-UHFFFAOYSA-N 1 0 340.492 4.565 50 0 EJAARO COc1cc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)ccc1SC ZINC000095419372 564139775 /nfs/dbraw/zinc/13/97/75/564139775.db2.gz CYWWOYIAZAYJRO-CJNGLKHVSA-N 1 0 329.465 4.592 50 0 EJAARO CC[C@H]([NH2+]Cc1ccc(NC(=O)NC(C)C)cc1)c1cccs1 ZINC000095420643 564139983 /nfs/dbraw/zinc/13/99/83/564139983.db2.gz BJRKZYCNUHYXPC-INIZCTEOSA-N 1 0 331.485 4.519 50 0 EJAARO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000095941413 564142073 /nfs/dbraw/zinc/14/20/73/564142073.db2.gz WDOMUAALMGFFED-HOTGVXAUSA-N 1 0 342.439 4.968 50 0 EJAARO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000095943439 564142117 /nfs/dbraw/zinc/14/21/17/564142117.db2.gz BDVXBSJEEMUPHF-HNNXBMFYSA-N 1 0 328.456 4.508 50 0 EJAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095946719 564142241 /nfs/dbraw/zinc/14/22/41/564142241.db2.gz UOCLZCIQOCUTEB-DIFFPNOSSA-N 1 0 349.261 4.598 50 0 EJAARO FC(F)(F)c1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000095983404 564143779 /nfs/dbraw/zinc/14/37/79/564143779.db2.gz ZODRFNDLEBXBNI-UHFFFAOYSA-N 1 0 334.385 4.555 50 0 EJAARO COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)c3c(C)noc3C)oc21 ZINC000095988121 564144068 /nfs/dbraw/zinc/14/40/68/564144068.db2.gz IDCMKNZMXZBYAQ-NEPJUHHUSA-N 1 0 328.412 4.501 50 0 EJAARO Brc1ccc(OCCCCCC[NH+]2CCCCC2)cc1 ZINC000002494220 564149962 /nfs/dbraw/zinc/14/99/62/564149962.db2.gz DIDVZGJVRVVQBM-UHFFFAOYSA-N 1 0 340.305 4.874 50 0 EJAARO CC(C)[NH2+][C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000002642764 564151744 /nfs/dbraw/zinc/15/17/44/564151744.db2.gz SRRYSPSBJMMKMC-MRXNPFEDSA-N 1 0 337.250 4.671 50 0 EJAARO CCC[C@H](C)[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000002647532 564151828 /nfs/dbraw/zinc/15/18/28/564151828.db2.gz PMCZMBQUUFTLEH-HNNXBMFYSA-N 1 0 328.481 4.555 50 0 EJAARO Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)co2)c1 ZINC000028965826 564152867 /nfs/dbraw/zinc/15/28/67/564152867.db2.gz MDRMNZARSCEVMR-FQEVSTJZSA-N 1 0 336.410 4.688 50 0 EJAARO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]3c3ccccc3)c2cc1C ZINC000057481546 564154470 /nfs/dbraw/zinc/15/44/70/564154470.db2.gz QZROIFWKGVEPBX-FQEVSTJZSA-N 1 0 333.431 4.747 50 0 EJAARO CCc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc2c1 ZINC000057531670 564154814 /nfs/dbraw/zinc/15/48/14/564154814.db2.gz LEQNXKZEOMOQKJ-FQEVSTJZSA-N 1 0 333.431 4.693 50 0 EJAARO C[N@H+]([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CCCCC1 ZINC000058165802 564157877 /nfs/dbraw/zinc/15/78/77/564157877.db2.gz XKUDNSUBTMRNDU-HXUWFJFHSA-N 1 0 340.442 4.770 50 0 EJAARO CN(Cc1nc(-c2ccccc2)no1)Cc1ccc(Cl)c(Cl)c1 ZINC000058168678 564157931 /nfs/dbraw/zinc/15/79/31/564157931.db2.gz VWEFCDLRLQSZPH-UHFFFAOYSA-N 1 0 348.233 4.675 50 0 EJAARO CCCCC[C@@](O)(CC[NH+]1CCCCC1)c1ccc(OCC)cc1 ZINC000004141813 564160911 /nfs/dbraw/zinc/16/09/11/564160911.db2.gz UBBBYXAJTYNDRY-OAQYLSRUSA-N 1 0 333.516 4.729 50 0 EJAARO Cc1cc2c(ncnc2NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)s1 ZINC000670460736 564161123 /nfs/dbraw/zinc/16/11/23/564161123.db2.gz KSRGWPQEEFWGJD-INIZCTEOSA-N 1 0 344.528 4.599 50 0 EJAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)CCCC2 ZINC000007985282 564161820 /nfs/dbraw/zinc/16/18/20/564161820.db2.gz MDKOONLZSMASDB-KRWDZBQOSA-N 1 0 331.463 4.602 50 0 EJAARO OCCC[NH2+]Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000008129458 564162956 /nfs/dbraw/zinc/16/29/56/564162956.db2.gz XDBUTLHMCHHUGS-UHFFFAOYSA-N 1 0 332.447 4.628 50 0 EJAARO COc1cccc2cc(C[NH2+][C@H]3CCOc4c(Cl)cccc43)oc21 ZINC000067248737 564165424 /nfs/dbraw/zinc/16/54/24/564165424.db2.gz GOVSSYVGXIIFOH-INIZCTEOSA-N 1 0 343.810 4.708 50 0 EJAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000008572506 564165758 /nfs/dbraw/zinc/16/57/58/564165758.db2.gz GPZMSQBQRXYCJC-UHFFFAOYSA-N 1 0 336.435 4.883 50 0 EJAARO O=c1c2cc(Cl)ccc2[nH]c(-c2ccccc2)c1C[NH+]1CCCC1 ZINC000008717279 564166768 /nfs/dbraw/zinc/16/67/68/564166768.db2.gz IYIOSVDRDVPMRM-UHFFFAOYSA-N 1 0 338.838 4.857 50 0 EJAARO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)c1c2c(cc3c1CCC3)CCC2 ZINC000039439602 564167577 /nfs/dbraw/zinc/16/75/77/564167577.db2.gz NXDUYFJZCDPPAO-QHCPKHFHSA-N 1 0 349.518 4.608 50 0 EJAARO c1cc2c(cccc2N2CC[NH+](Cc3ccc4ccccc4c3)CC2)[nH]1 ZINC000066325702 564177766 /nfs/dbraw/zinc/17/77/66/564177766.db2.gz BPOFOALTXXGQMG-UHFFFAOYSA-N 1 0 341.458 4.643 50 0 EJAARO O=C(CC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000055525083 214327499 /nfs/dbraw/zinc/32/74/99/214327499.db2.gz XJRDLJPYAQCFKU-UHFFFAOYSA-N 1 0 329.443 4.962 50 0 EJAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1Cl ZINC000004664856 210240898 /nfs/dbraw/zinc/24/08/98/210240898.db2.gz ZJSORPWYRKFLDQ-FRRDWIJNSA-N 1 0 344.282 4.802 50 0 EJAARO CCCCCCOc1ccccc1NC(=O)OC[C@@H]1CCCC[N@@H+]1C ZINC000004566634 210222598 /nfs/dbraw/zinc/22/25/98/210222598.db2.gz BETFOLQBMHYFBR-KRWDZBQOSA-N 1 0 348.487 4.679 50 0 EJAARO C[C@@H]1CCC[C@H]([NH2+][C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000004546169 210219736 /nfs/dbraw/zinc/21/97/36/210219736.db2.gz SFZFJLNLICHCTF-YAKVFXAGSA-N 1 0 348.490 4.756 50 0 EJAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1cccs1 ZINC000004488588 210201699 /nfs/dbraw/zinc/20/16/99/210201699.db2.gz PJXQDRCIFDPXKE-UHFFFAOYSA-N 1 0 339.460 4.626 50 0 EJAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccccc1 ZINC000004488515 210201091 /nfs/dbraw/zinc/20/10/91/210201091.db2.gz XNJSKRHJMKKXPJ-UHFFFAOYSA-N 1 0 339.460 4.626 50 0 EJAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064666840 214798742 /nfs/dbraw/zinc/79/87/42/214798742.db2.gz UOVRXHDWRDUKQI-NRFANRHFSA-N 1 0 348.446 4.899 50 0 EJAARO C[NH+](C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1cccc(O)c1 ZINC000065500577 214935316 /nfs/dbraw/zinc/93/53/16/214935316.db2.gz BUWYUCFPEQGLEV-UHFFFAOYSA-N 1 0 349.478 4.511 50 0 EJAARO CCCCCC[n+]1ccccc1/C=C/c1ccc(OC)cc1OC ZINC000004118323 210125057 /nfs/dbraw/zinc/12/50/57/210125057.db2.gz ZGMIOXXOSWXXMP-ACCUITESSA-N 1 0 326.460 4.742 50 0 EJAARO C[N@@H+]1[C@H](CC(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C ZINC000003957435 210096396 /nfs/dbraw/zinc/09/63/96/210096396.db2.gz AUSGKSYHQUASAZ-GOSISDBHSA-N 1 0 342.870 4.676 50 0 EJAARO Cc1cc(OC[C@@H](O)C[NH+](C(C)C)C(C)C)c(C(C)C)cc1Cl ZINC000003391484 210025663 /nfs/dbraw/zinc/02/56/63/210025663.db2.gz KBTDZNRZQOCYEW-INIZCTEOSA-N 1 0 341.923 4.630 50 0 EJAARO CC[C@H](C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770391 213533165 /nfs/dbraw/zinc/53/31/65/213533165.db2.gz FMEVYXJNSPYRRN-DZGCQCFKSA-N 1 0 340.305 4.874 50 0 EJAARO COc1ccccc1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019634568 202014718 /nfs/dbraw/zinc/01/47/18/202014718.db2.gz MRMPXHZIOZXPNC-UHFFFAOYSA-N 1 0 331.459 4.940 50 0 EJAARO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038856659 213228148 /nfs/dbraw/zinc/22/81/48/213228148.db2.gz VIEUNRMDVQLZRW-LJQANCHMSA-N 1 0 336.479 4.661 50 0 EJAARO Cc1ccc([C@](O)(C(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000020868918 202056273 /nfs/dbraw/zinc/05/62/73/202056273.db2.gz FQUXLGLVJCAWNS-XZOQPEGZSA-N 1 0 337.507 4.718 50 0 EJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3cccnc32)c(OC)c1 ZINC000022516190 202086735 /nfs/dbraw/zinc/08/67/35/202086735.db2.gz TYIGXXDZVAOSNU-FQEVSTJZSA-N 1 0 348.446 4.589 50 0 EJAARO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000023478137 202105063 /nfs/dbraw/zinc/10/50/63/202105063.db2.gz PDRVYFIDBHSGLM-QGZVFWFLSA-N 1 0 345.552 4.774 50 0 EJAARO O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1 ZINC000023619944 202106094 /nfs/dbraw/zinc/10/60/94/202106094.db2.gz FPXGJWCORWOFKO-JXMROGBWSA-N 1 0 348.490 4.831 50 0 EJAARO C[NH+](C)Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000024810130 202121923 /nfs/dbraw/zinc/12/19/23/202121923.db2.gz ZRRBQFIRCINWRE-UHFFFAOYSA-N 1 0 344.867 4.869 50 0 EJAARO c1ccc2oc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000023989918 202111245 /nfs/dbraw/zinc/11/12/45/202111245.db2.gz ZIZIXFSOLVCOOO-AWEZNQCLSA-N 1 0 349.459 4.817 50 0 EJAARO Clc1ccc2nc3c(c(-c4ccccc4Cl)c2c1)C[NH2+]CC3 ZINC000025777363 202135804 /nfs/dbraw/zinc/13/58/04/202135804.db2.gz URWOONFNVMERJF-UHFFFAOYSA-N 1 0 329.230 4.854 50 0 EJAARO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000029482636 202187788 /nfs/dbraw/zinc/18/77/88/202187788.db2.gz ZJDXLGCYHNUWIR-KRWDZBQOSA-N 1 0 349.261 4.551 50 0 EJAARO c1ccc(COc2cccc(C[NH2+][C@H]3CCCc4ccccc43)c2)nc1 ZINC000030543928 202196398 /nfs/dbraw/zinc/19/63/98/202196398.db2.gz IDSINAZBLOBNQJ-QHCPKHFHSA-N 1 0 344.458 4.828 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000033087196 202250073 /nfs/dbraw/zinc/25/00/73/202250073.db2.gz CSCQVXKAXQTZLX-HXUWFJFHSA-N 1 0 343.442 4.960 50 0 EJAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032851131 212856090 /nfs/dbraw/zinc/85/60/90/212856090.db2.gz DCEXNQQVSQZKPR-MEDUHNTESA-N 1 0 349.261 4.598 50 0 EJAARO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000034863268 202278901 /nfs/dbraw/zinc/27/89/01/202278901.db2.gz FTLSGFLBFISHGF-UEXGIBASSA-N 1 0 336.479 4.653 50 0 EJAARO O=C(C[NH2+]C1CCCCC1)N1c2ccccc2C=Cc2ccccc21 ZINC000000184329 209472137 /nfs/dbraw/zinc/47/21/37/209472137.db2.gz YHKBDMUMPGOTMG-UHFFFAOYSA-N 1 0 332.447 4.757 50 0 EJAARO CC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@@H+](C(C)(C)C)C1 ZINC000000049434 209390108 /nfs/dbraw/zinc/39/01/08/209390108.db2.gz XENZICQEFWMILM-RXVVDRJESA-N 1 0 331.500 4.612 50 0 EJAARO CC[NH+](CC)Cn1c2ccc(C)cc2c(C)c1C(=O)c1ccccc1 ZINC000072434055 216228510 /nfs/dbraw/zinc/22/85/10/216228510.db2.gz IBJBYLXVYGPGTR-UHFFFAOYSA-N 1 0 334.463 4.788 50 0 EJAARO c1cn(-c2ccc(C[NH2+]C(c3ccccc3)c3ccccc3)cc2)cn1 ZINC000022772625 212324151 /nfs/dbraw/zinc/32/41/51/212324151.db2.gz LKVVQWWQEJCPSA-UHFFFAOYSA-N 1 0 339.442 4.752 50 0 EJAARO C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000195560982 241009159 /nfs/dbraw/zinc/00/91/59/241009159.db2.gz QPCFTGNGVCQFQN-VFNWGFHPSA-N 1 0 341.426 4.808 50 0 EJAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccco1 ZINC000215298580 241117179 /nfs/dbraw/zinc/11/71/79/241117179.db2.gz KVYWKXMZZZJVJN-FQEVSTJZSA-N 1 0 349.478 4.896 50 0 EJAARO c1[nH]nc(-c2ccccc2)c1C[N@H+](Cc1ccncc1)C1CCCCC1 ZINC000218997218 241360599 /nfs/dbraw/zinc/36/05/99/241360599.db2.gz UWKHIMBGPBCJPX-UHFFFAOYSA-N 1 0 346.478 4.807 50 0 EJAARO Oc1cccc(C[NH2+]C[C@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000060829600 202784652 /nfs/dbraw/zinc/78/46/52/202784652.db2.gz CDPXSKLJYAPQGV-IBGZPJMESA-N 1 0 348.471 4.857 50 0 EJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1OC(C)C ZINC000021720924 212245202 /nfs/dbraw/zinc/24/52/02/212245202.db2.gz WZYWGLRUVPZHGX-KRWDZBQOSA-N 1 0 328.456 4.670 50 0 EJAARO Cc1cccc2c1nc(C)c(CC=C(Cl)Cl)c2SC(N)=[NH2+] ZINC000004826688 201621746 /nfs/dbraw/zinc/62/17/46/201621746.db2.gz UARNTGBELQUOTD-UHFFFAOYSA-N 1 0 340.279 4.699 50 0 EJAARO c1csc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020865013 212178688 /nfs/dbraw/zinc/17/86/88/212178688.db2.gz KZKQGMLJOQPPPJ-KRWDZBQOSA-N 1 0 326.490 4.672 50 0 EJAARO Cc1ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 ZINC000020166845 212108790 /nfs/dbraw/zinc/10/87/90/212108790.db2.gz QABLTKMPCIUMRR-QZTJIDSGSA-N 1 0 333.516 4.561 50 0 EJAARO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)on1 ZINC000075448609 203314973 /nfs/dbraw/zinc/31/49/73/203314973.db2.gz BAACWUNVVXCWQE-SFHVURJKSA-N 1 0 336.439 4.525 50 0 EJAARO CC[C@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000019735041 212058085 /nfs/dbraw/zinc/05/80/85/212058085.db2.gz LKCGBGGEGUNEKP-AWEZNQCLSA-N 1 0 334.250 4.801 50 0 EJAARO CC(C)=CCC[C@H](C)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019633568 212052446 /nfs/dbraw/zinc/05/24/46/212052446.db2.gz OAESBAAOJNZKTB-LNYGYFNRSA-N 1 0 326.528 4.700 50 0 EJAARO c1ccc(CN2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019536184 212038867 /nfs/dbraw/zinc/03/88/67/212038867.db2.gz LFXVGFMQTNLFAV-UHFFFAOYSA-N 1 0 342.486 4.671 50 0 EJAARO CCCC[C@@H](CC)CN1CN(C[C@H](CC)CCCC)CC(C)([NH3+])C1 ZINC000019324118 212015579 /nfs/dbraw/zinc/01/55/79/212015579.db2.gz DTOUUUZOYKYHEP-WOJBJXKFSA-N 1 0 339.612 4.712 50 0 world EJAARO Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000013325228 211546440 /nfs/dbraw/zinc/54/64/40/211546440.db2.gz DGWVIKPRZOCFSE-UHFFFAOYSA-N 1 0 343.858 4.888 50 0 EJAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)Nc1ccccc1F ZINC000012430677 211378090 /nfs/dbraw/zinc/37/80/90/211378090.db2.gz DAUPPGIDKHZHPJ-KRWDZBQOSA-N 1 0 346.490 4.979 50 0 EJAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(C2CCCCC2)cc1 ZINC000011847308 211256653 /nfs/dbraw/zinc/25/66/53/211256653.db2.gz CHJINILHYQKWHZ-LVCYWYKZSA-N 1 0 345.527 4.737 50 0 EJAARO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010337887 211166300 /nfs/dbraw/zinc/16/63/00/211166300.db2.gz FIVBMSSKSQDYLA-UHFFFAOYSA-N 1 0 348.368 4.554 50 0 EJAARO C[C@@H](C1CCN(c2ccc3cc(Cl)ccc3n2)CC1)[NH+]1CCCC1 ZINC000095382813 218314330 /nfs/dbraw/zinc/31/43/30/218314330.db2.gz GYQOXWIFNSTIPR-HNNXBMFYSA-N 1 0 343.902 4.589 50 0 EJAARO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095420394 218360698 /nfs/dbraw/zinc/36/06/98/218360698.db2.gz KOVGTQYCOJCTMY-KBPBESRZSA-N 1 0 343.496 4.752 50 0 EJAARO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000095421537 218363099 /nfs/dbraw/zinc/36/30/99/218363099.db2.gz JCBDULRIUOTXOK-NQKDMWHGSA-N 1 0 327.493 4.542 50 0 EJAARO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000006667596 210673698 /nfs/dbraw/zinc/67/36/98/210673698.db2.gz CDYLBYNFLUAGRB-AWEZNQCLSA-N 1 0 348.284 4.569 50 0 EJAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000004986004 210349687 /nfs/dbraw/zinc/34/96/87/210349687.db2.gz KYBHBJWRNZYZBZ-CQSZACIVSA-N 1 0 337.385 4.825 50 0 EJAARO COc1cccc(OC)c1OCCCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004836884 210293805 /nfs/dbraw/zinc/29/38/05/210293805.db2.gz BPLNDHPQMGBONF-HDICACEKSA-N 1 0 349.515 4.621 50 0 EJAARO CC1(C)C[C@@]2(CCC[N@H+](CCC(=O)c3ccc(Cl)cc3)C2)CCO1 ZINC000004834825 210292385 /nfs/dbraw/zinc/29/23/85/210292385.db2.gz CBNWYLOCQPQBCR-HXUWFJFHSA-N 1 0 349.902 4.584 50 0 EJAARO CC[NH+](CC)CCn1c(-c2ccc(C)cc2)cn2c3ccccc3nc21 ZINC000004817251 210286600 /nfs/dbraw/zinc/28/66/00/210286600.db2.gz ZGQVVUVPLTWVON-UHFFFAOYSA-N 1 0 346.478 4.606 50 0 EJAARO COC[C@@H](C)[NH2+]Cc1cc2ccc(Cl)cc2nc1-c1ccsc1 ZINC000299802688 258105529 /nfs/dbraw/zinc/10/55/29/258105529.db2.gz NKOHOTLLBOCZBZ-GFCCVEGCSA-N 1 0 346.883 4.741 50 0 EJAARO Cc1cccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1C ZINC000055543815 132196057 /nfs/dbraw/zinc/19/60/57/132196057.db2.gz XDYCFGVWOLNSFG-UHFFFAOYSA-N 1 0 330.475 4.779 50 0 EJAARO CCOc1ccccc1N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000055544051 132196282 /nfs/dbraw/zinc/19/62/82/132196282.db2.gz YKKCUSNWHULBCV-UHFFFAOYSA-N 1 0 346.474 4.561 50 0 EJAARO Fc1ccccc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008201786 518196165 /nfs/dbraw/zinc/19/61/65/518196165.db2.gz ONFIMDFBEGSBDN-UHFFFAOYSA-N 1 0 326.440 4.815 50 0 EJAARO Cc1cc(OCC[C@H]2CCCC[NH2+]2)c(Br)c(C)c1Cl ZINC000042770264 563924857 /nfs/dbraw/zinc/92/48/57/563924857.db2.gz LGWDNSSCIPYSBY-GFCCVEGCSA-N 1 0 346.696 4.630 50 0 EJAARO CCOC(=O)c1oc2ccc(C[NH2+]C3CCCCC3)c(Cl)c2c1C ZINC000000208734 563260484 /nfs/dbraw/zinc/26/04/84/563260484.db2.gz GTHQDOILWCWUMQ-UHFFFAOYSA-N 1 0 349.858 4.994 50 0 EJAARO Cc1ccc(C)c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000000292437 563273892 /nfs/dbraw/zinc/27/38/92/563273892.db2.gz XHFWSTHPRAMYAO-UHFFFAOYSA-N 1 0 348.412 4.644 50 0 EJAARO Cc1ccc2c(c1)[C@@H](OC1CC[NH+](C)CC1)c1ccccc1CS2 ZINC000000347744 563288336 /nfs/dbraw/zinc/28/83/36/563288336.db2.gz NJIORWAXOOZLBW-NRFANRHFSA-N 1 0 339.504 4.801 50 0 EJAARO C[C@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000000406583 563306970 /nfs/dbraw/zinc/30/69/70/563306970.db2.gz FOINBVXLWLHZNX-PKOBYXMFSA-N 1 0 344.458 4.506 50 0 EJAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(C)nc2cc(Cl)ccc21 ZINC000002268142 563428121 /nfs/dbraw/zinc/42/81/21/563428121.db2.gz AJYXURRZDRISPR-ZDUSSCGKSA-N 1 0 334.895 4.514 50 0 EJAARO [NH3+]C[C@H](c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002386709 563431301 /nfs/dbraw/zinc/43/13/01/563431301.db2.gz VCUJNFWOXYZUSK-CQSZACIVSA-N 1 0 333.275 4.815 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1Cl ZINC000002514583 563435656 /nfs/dbraw/zinc/43/56/56/563435656.db2.gz DSKNEIJAFFYCLB-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO CCCC[NH2+]CCCOc1ccc2ccccc2c1Br ZINC000003000588 563469173 /nfs/dbraw/zinc/46/91/73/563469173.db2.gz IQKUXJUWVDTDHF-UHFFFAOYSA-N 1 0 336.273 4.761 50 0 EJAARO Cc1cc(Cl)c(OCCCC[NH2+]C(C)(C)C)c(Br)c1 ZINC000003001207 563469175 /nfs/dbraw/zinc/46/91/75/563469175.db2.gz HEPYZBYATIMPNQ-UHFFFAOYSA-N 1 0 348.712 4.958 50 0 EJAARO CCc1ccc2[nH]c(C)c(C[N@H+](CC)Cc3ccccc3)c(=O)c2c1 ZINC000008572498 563632606 /nfs/dbraw/zinc/63/26/06/563632606.db2.gz DEFFWMZIWMYFSZ-UHFFFAOYSA-N 1 0 334.463 4.833 50 0 EJAARO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010328165 563647200 /nfs/dbraw/zinc/64/72/00/563647200.db2.gz PONXDIJYCNLRNK-UHFFFAOYSA-N 1 0 342.870 4.887 50 0 EJAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000012439394 563660839 /nfs/dbraw/zinc/66/08/39/563660839.db2.gz MHTKVKXIRZZGTA-LJQANCHMSA-N 1 0 345.442 4.626 50 0 EJAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000032664949 563678317 /nfs/dbraw/zinc/67/83/17/563678317.db2.gz GHGLQBQYPWCLSO-CQSZACIVSA-N 1 0 330.859 4.500 50 0 EJAARO Cc1cc(C)n(-c2ccc(C[N@H+](Cc3ccccc3F)C3CC3)cc2)n1 ZINC000012974862 563680211 /nfs/dbraw/zinc/68/02/11/563680211.db2.gz AZQWIYFWPCTRPG-UHFFFAOYSA-N 1 0 349.453 4.793 50 0 EJAARO CCCCOCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013719599 563716071 /nfs/dbraw/zinc/71/60/71/563716071.db2.gz LCDRPEBVTGVBQC-UHFFFAOYSA-N 1 0 345.458 4.701 50 0 EJAARO CC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2ccc3ccccc3c2)c1C ZINC000014124183 563743246 /nfs/dbraw/zinc/74/32/46/563743246.db2.gz SCIIABVPOSOHJU-AWEZNQCLSA-N 1 0 348.446 4.521 50 0 EJAARO O=C(c1ccccc1Cl)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000015831548 563793446 /nfs/dbraw/zinc/79/34/46/563793446.db2.gz BSESPURWKYSJPK-KRWDZBQOSA-N 1 0 348.918 4.601 50 0 EJAARO CCc1ccc(-[n+]2cc(-c3ccc(F)cc3)n3c2SCCC3)cc1 ZINC000015953157 563800814 /nfs/dbraw/zinc/80/08/14/563800814.db2.gz BQQZIJQIMNHCDO-UHFFFAOYSA-N 1 0 339.459 4.629 50 0 EJAARO c1csc(-c2cn3c([n+]2-c2ccccc2)CCc2ccccc2-3)c1 ZINC000015953118 563800848 /nfs/dbraw/zinc/80/08/48/563800848.db2.gz GQURBCLQYBAANB-UHFFFAOYSA-N 1 0 329.448 4.581 50 0 EJAARO Fc1ccc(COc2cccc(C[NH2+]Cc3cccs3)c2)cc1 ZINC000016399588 563810565 /nfs/dbraw/zinc/81/05/65/563810565.db2.gz YETJRSBQKPVEKO-UHFFFAOYSA-N 1 0 327.424 4.756 50 0 EJAARO O=C(Nc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017071787 563834998 /nfs/dbraw/zinc/83/49/98/563834998.db2.gz QZJSNEKGXJKRIX-UHFFFAOYSA-N 1 0 343.858 4.970 50 0 EJAARO Cn1c2ccccc2c([C@H](C[NH3+])c2ccccc2)c1-c1ccccc1 ZINC000032928679 563836498 /nfs/dbraw/zinc/83/64/98/563836498.db2.gz BGDWZIGPBIVRST-HXUWFJFHSA-N 1 0 326.443 4.936 50 0 EJAARO Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)c(Cl)c1 ZINC000017251954 563841645 /nfs/dbraw/zinc/84/16/45/563841645.db2.gz PNVJNUXQAQDCHJ-UHFFFAOYSA-N 1 0 344.265 4.744 50 0 EJAARO CC[NH+](CC)Cc1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000024927722 563877899 /nfs/dbraw/zinc/87/78/99/563877899.db2.gz KTVJNAKYEKGTEO-UHFFFAOYSA-N 1 0 334.822 4.573 50 0 EJAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1Cl ZINC000027143458 563894893 /nfs/dbraw/zinc/89/48/93/563894893.db2.gz ZGRCOMHPLDIVHK-UHFFFAOYSA-N 1 0 346.833 4.717 50 0 EJAARO CCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027584010 563897348 /nfs/dbraw/zinc/89/73/48/563897348.db2.gz BBOZOVPZWXTDHZ-GOSISDBHSA-N 1 0 336.907 4.564 50 0 EJAARO C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000029488667 563906817 /nfs/dbraw/zinc/90/68/17/563906817.db2.gz QKDKLXFPKREGNT-HXUWFJFHSA-N 1 0 336.479 4.542 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c(OC)c1 ZINC000033087191 563914904 /nfs/dbraw/zinc/91/49/04/563914904.db2.gz ACTJQYZZPBITSM-KRWDZBQOSA-N 1 0 331.481 4.883 50 0 EJAARO c1ccc(C(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)cc1 ZINC000001228012 563917933 /nfs/dbraw/zinc/91/79/33/563917933.db2.gz ABLNRIRPRBZRIC-UHFFFAOYSA-N 1 0 342.486 4.641 50 0 EJAARO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c2ccccc12 ZINC000002750792 563917994 /nfs/dbraw/zinc/91/79/94/563917994.db2.gz JYMGLWLMBGSVMH-UHFFFAOYSA-N 1 0 330.431 4.662 50 0 EJAARO CCOc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)ccc1OC ZINC000004985459 563919009 /nfs/dbraw/zinc/91/90/09/563919009.db2.gz ADFLBZSPSOBNMM-UHFFFAOYSA-N 1 0 341.426 4.522 50 0 EJAARO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000023282595 563919431 /nfs/dbraw/zinc/91/94/31/563919431.db2.gz GLGUJWXQPAOYNK-AWEZNQCLSA-N 1 0 337.385 4.825 50 0 EJAARO O=c1c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)coc2ccc(Cl)cc21 ZINC000230136198 563919713 /nfs/dbraw/zinc/91/97/13/563919713.db2.gz UGFOCSQYKWFHRV-SUMWQHHRSA-N 1 0 331.843 4.601 50 0 EJAARO Cc1ccc2c(C[N@H+](C)Cc3ccc(Cl)cc3)cc(=O)oc2c1C ZINC000057380576 563935592 /nfs/dbraw/zinc/93/55/92/563935592.db2.gz QVIWZDASLGRDSV-UHFFFAOYSA-N 1 0 341.838 4.695 50 0 EJAARO CCc1cccc2c(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)c[nH]c21 ZINC000058160801 563938429 /nfs/dbraw/zinc/93/84/29/563938429.db2.gz KVPVOQIYZTYSHG-KRWDZBQOSA-N 1 0 338.476 4.812 50 0 EJAARO COc1ccc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000058289034 563941787 /nfs/dbraw/zinc/94/17/87/563941787.db2.gz CEKDHIPFCUSXCS-UHFFFAOYSA-N 1 0 335.369 4.879 50 0 EJAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984489 563957433 /nfs/dbraw/zinc/95/74/33/563957433.db2.gz ORGYFPJOTSVEOC-LJQANCHMSA-N 1 0 328.456 4.922 50 0 EJAARO Oc1cccc(-c2cc([C@H]3CC[N@H+](Cc4ccsc4)C3)ccn2)c1 ZINC000065404600 563959985 /nfs/dbraw/zinc/95/99/85/563959985.db2.gz QKFWXWWISTWKHD-SFHVURJKSA-N 1 0 336.460 4.505 50 0 EJAARO COc1ccc(Oc2cccc(C[NH+]3CCCC3)c2Cl)cc1OC ZINC000067787832 563962789 /nfs/dbraw/zinc/96/27/89/563962789.db2.gz BKJBRTMCBMTPBB-UHFFFAOYSA-N 1 0 347.842 4.745 50 0 EJAARO c1ccc(C[N@@H+]2CC[C@H]([C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000071769335 563965558 /nfs/dbraw/zinc/96/55/58/563965558.db2.gz BLHARDLNGUCJNB-JTHBVZDNSA-N 1 0 328.459 4.736 50 0 EJAARO CN(c1[nH+]cc2c(Cl)cc(C(F)(F)F)cn21)c1ccccc1 ZINC000263639971 563984340 /nfs/dbraw/zinc/98/43/40/563984340.db2.gz QNJCZRRRQHAJEE-UHFFFAOYSA-N 1 0 325.721 4.774 50 0 EJAARO CCCC1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 ZINC000252481536 563997727 /nfs/dbraw/zinc/99/77/27/563997727.db2.gz CNQAWBFFHDTOSZ-SFHVURJKSA-N 1 0 344.499 4.600 50 0 EJAARO Cc1oc(-c2ccccc2)nc1CC[NH2+]Cc1c(F)cccc1Cl ZINC000078758018 564000920 /nfs/dbraw/zinc/00/09/20/564000920.db2.gz YIIBMZHUDUVFDZ-UHFFFAOYSA-N 1 0 344.817 4.775 50 0 EJAARO O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000000500991 564018952 /nfs/dbraw/zinc/01/89/52/564018952.db2.gz JFAWEJBCVBGKNT-PMACEKPBSA-N 1 0 329.871 4.991 50 0 EJAARO C[N@H+](C[C@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000105712584 564025301 /nfs/dbraw/zinc/02/53/01/564025301.db2.gz AZLVFMJMZBMGFL-FCHUYYIVSA-N 1 0 335.422 4.581 50 0 EJAARO Cc1c(-c2ccccc2)c2ccccc2n1CCc1ccc(C)[n+](C)c1 ZINC000001300614 564063054 /nfs/dbraw/zinc/06/30/54/564063054.db2.gz JEGBGKBZQRNQPQ-UHFFFAOYSA-N 1 0 341.478 4.992 50 0 EJAARO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000083973357 564065378 /nfs/dbraw/zinc/06/53/78/564065378.db2.gz NBTMWFBWAVJHOW-LJQANCHMSA-N 1 0 348.446 4.557 50 0 EJAARO Cn1cc(C[NH2+]CCC2=CCCCC2)c(-c2cc3ccccc3o2)n1 ZINC000084314144 564067741 /nfs/dbraw/zinc/06/77/41/564067741.db2.gz GQHNUNAEMJWADE-UHFFFAOYSA-N 1 0 335.451 4.813 50 0 EJAARO Clc1cccc(-c2nc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)co2)c1 ZINC000084525549 564068477 /nfs/dbraw/zinc/06/84/77/564068477.db2.gz JTKDDUAFOXBGTQ-QGZVFWFLSA-N 1 0 338.838 4.985 50 0 EJAARO Fc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)no2)c1 ZINC000084560125 564068688 /nfs/dbraw/zinc/06/86/88/564068688.db2.gz MEPJOFXHAJUMIB-LJQANCHMSA-N 1 0 336.410 4.688 50 0 EJAARO Clc1c2ccccc2sc1CN1CCC([NH+]2CCCC2)CC1 ZINC000084587752 564068811 /nfs/dbraw/zinc/06/88/11/564068811.db2.gz GAJHXINGVPABRV-UHFFFAOYSA-N 1 0 334.916 4.615 50 0 EJAARO CC(C)(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012773256 564069094 /nfs/dbraw/zinc/06/90/94/564069094.db2.gz SOQYISWIJPWIBU-UHFFFAOYSA-N 1 0 336.479 4.832 50 0 EJAARO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2ccccc2)CC1 ZINC000084667782 564069538 /nfs/dbraw/zinc/06/95/38/564069538.db2.gz QMKMTWBDGYZBLX-CQSZACIVSA-N 1 0 339.464 4.739 50 0 EJAARO CC[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000084734189 564069862 /nfs/dbraw/zinc/06/98/62/564069862.db2.gz VKXWONRIICWBHO-FQEVSTJZSA-N 1 0 333.431 4.852 50 0 EJAARO OCC[C@H](c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000043215039 564076189 /nfs/dbraw/zinc/07/61/89/564076189.db2.gz CNCMDTWAHPBVCK-HSZRJFAPSA-N 1 0 331.459 4.813 50 0 EJAARO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862287 564077033 /nfs/dbraw/zinc/07/70/33/564077033.db2.gz NEGFHOGEBICOER-UHFFFAOYSA-N 1 0 344.817 4.755 50 0 EJAARO CCc1ccc(/C=C2/C[NH+](C)C/C(=C/c3ccc(CC)cc3)C2O)cc1 ZINC000075260355 564081279 /nfs/dbraw/zinc/08/12/79/564081279.db2.gz OLLXKZAKKAXRMF-VMTNTFKOSA-N 1 0 347.502 4.585 50 0 EJAARO CC[NH+](CC)CCCNc1nc(-c2ccc(C)cc2)nc2ccccc21 ZINC000001775401 564087486 /nfs/dbraw/zinc/08/74/86/564087486.db2.gz WPZQANGWHDAYOP-UHFFFAOYSA-N 1 0 348.494 4.749 50 0 EJAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccco3)CCO[C@@H](C(C)C)C2)cc1 ZINC000001867329 564088977 /nfs/dbraw/zinc/08/89/77/564088977.db2.gz LWJUFUPLTBOXHQ-FGZHOGPDSA-N 1 0 341.495 4.841 50 0 biogenic EJAARO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 ZINC000248725462 564089294 /nfs/dbraw/zinc/08/92/94/564089294.db2.gz HVDCYEUGZSLQNM-FRQCXROJSA-N 1 0 336.435 4.646 50 0 EJAARO CCCCCSc1cc(O)c([C@@H](C[NH2+]C)C(C)C)cc1OC ZINC000002049881 564093380 /nfs/dbraw/zinc/09/33/80/564093380.db2.gz GBWZKWXAMNEFFC-HNNXBMFYSA-N 1 0 325.518 4.642 50 0 EJAARO C[C@H](c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1)[NH+]1CCCCC1 ZINC000426661370 564094309 /nfs/dbraw/zinc/09/43/09/564094309.db2.gz RHBOUZWMLBMWAZ-QGZVFWFLSA-N 1 0 336.479 4.602 50 0 EJAARO CC[NH2+]CC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000006757931 564097271 /nfs/dbraw/zinc/09/72/71/564097271.db2.gz CEMMJTGSAMMZLF-QGZVFWFLSA-N 1 0 329.406 4.532 50 0 EJAARO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000006841324 564099376 /nfs/dbraw/zinc/09/93/76/564099376.db2.gz FEQFRLZEPJCXTE-WMZOPIPTSA-N 1 0 338.495 4.968 50 0 EJAARO CCCCC[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000007378825 564107103 /nfs/dbraw/zinc/10/71/03/564107103.db2.gz LYFOUDWFPIKTPW-FQEVSTJZSA-N 1 0 340.467 4.545 50 0 EJAARO COc1ccccc1[C@H](CC[NH2+]Cc1cccs1)c1ccco1 ZINC000002103154 564117616 /nfs/dbraw/zinc/11/76/16/564117616.db2.gz MZNUAYVWLQJNOQ-KRWDZBQOSA-N 1 0 327.449 4.662 50 0 biogenic EJAARO Cc1cccc2nc(CNc3ccccc3Cc3ccccc3)cn21 ZINC000170639490 564117629 /nfs/dbraw/zinc/11/76/29/564117629.db2.gz YQNLWTVXOIWQOG-UHFFFAOYSA-N 1 0 327.431 4.846 50 0 EJAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)cc2)(C(C)C)CCO1 ZINC000002111061 564118044 /nfs/dbraw/zinc/11/80/44/564118044.db2.gz IQRLISDRZDPFHJ-SFTDATJTSA-N 1 0 333.516 4.796 50 0 biogenic EJAARO C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002118581 564118238 /nfs/dbraw/zinc/11/82/38/564118238.db2.gz RFBOJWYFYNPANN-HNNXBMFYSA-N 1 0 349.430 4.540 50 0 biogenic EJAARO c1ccc(-c2cc(NCC[NH+]3CCCCC3)c3ccccc3n2)cc1 ZINC000000084281 564118819 /nfs/dbraw/zinc/11/88/19/564118819.db2.gz SGXGHCIPPADGCD-UHFFFAOYSA-N 1 0 331.463 4.800 50 0 EJAARO Cc1cc2ncn(CC3CC[NH+](Cc4cccs4)CC3)c2cc1C ZINC000225524583 564130213 /nfs/dbraw/zinc/13/02/13/564130213.db2.gz IJJZRODQGYJFDH-UHFFFAOYSA-N 1 0 339.508 4.627 50 0 EJAARO Clc1ccc([C@@H](CC[NH2+]C[C@@H]2CCCO2)Cc2ccccc2)cc1 ZINC000002360437 564133722 /nfs/dbraw/zinc/13/37/22/564133722.db2.gz OQGCDSXZUITRFQ-FPOVZHCZSA-N 1 0 343.898 4.825 50 0 EJAARO c1ccc2c(c1)nc(C[NH+]1CCCC1)n2Cc1cccc2ccccc21 ZINC000027757736 564134414 /nfs/dbraw/zinc/13/44/14/564134414.db2.gz UTMJMRRJUYILTJ-UHFFFAOYSA-N 1 0 341.458 4.834 50 0 EJAARO CCn1nc(C)c(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)c1C ZINC000095462801 564140875 /nfs/dbraw/zinc/14/08/75/564140875.db2.gz BWSAAMQILRHRTR-NRFANRHFSA-N 1 0 325.500 4.931 50 0 EJAARO Cc1ccc([C@H]([NH2+]Cc2cccc3c2OCCCO3)C2CCCC2)o1 ZINC000095462845 564140877 /nfs/dbraw/zinc/14/08/77/564140877.db2.gz LGBCNMMUICBZAQ-HXUWFJFHSA-N 1 0 341.451 4.770 50 0 EJAARO Cc1nc(CC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)cs1 ZINC000095996263 564144237 /nfs/dbraw/zinc/14/42/37/564144237.db2.gz KDMHRHWFHJBXCC-HXUWFJFHSA-N 1 0 349.459 4.514 50 0 EJAARO Cc1ccccc1Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1 ZINC000095995941 564144262 /nfs/dbraw/zinc/14/42/62/564144262.db2.gz HDQQIMLHXLPZFI-KFKAGJAMSA-N 1 0 341.499 4.519 50 0 EJAARO C[NH+](C)[C@@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002631275 564151468 /nfs/dbraw/zinc/15/14/68/564151468.db2.gz SZXDHSMXKRLDLO-JOCHJYFZSA-N 1 0 329.443 4.632 50 0 EJAARO CCOc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000002684731 564152126 /nfs/dbraw/zinc/15/21/26/564152126.db2.gz FKWOHAWSFVOUGL-UHFFFAOYSA-N 1 0 333.455 4.557 50 0 EJAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1Cl ZINC000031621210 564159611 /nfs/dbraw/zinc/15/96/11/564159611.db2.gz DDCHSEXQVRZORV-UHFFFAOYSA-N 1 0 328.843 4.578 50 0 EJAARO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320644 564164352 /nfs/dbraw/zinc/16/43/52/564164352.db2.gz YIDXPZFRIWKIBD-SWLSCSKDSA-N 1 0 334.872 4.566 50 0 EJAARO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CC=CCC1)C1CCCCC1 ZINC000040049144 564167801 /nfs/dbraw/zinc/16/78/01/564167801.db2.gz VYJGEKRKXOGXMM-QGZVFWFLSA-N 1 0 326.484 4.746 50 0 EJAARO c1ccc(OCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000009577532 564174178 /nfs/dbraw/zinc/17/41/78/564174178.db2.gz RMBWLGOVNFZDCT-UHFFFAOYSA-N 1 0 338.476 4.555 50 0 EJAARO Cn1nccc1[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000071808726 564175552 /nfs/dbraw/zinc/17/55/52/564175552.db2.gz WDUDFPWQJNLLKU-CYBMUJFWSA-N 1 0 345.899 4.668 50 0 EJAARO CC(C)C[NH+]1CCC(NCc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000071817331 564175621 /nfs/dbraw/zinc/17/56/21/564175621.db2.gz RMMPQRRNEDASTR-UHFFFAOYSA-N 1 0 346.515 4.764 50 0 EJAARO C[C@H](Nc1ccc([NH+]2CCCCCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000073637284 564176385 /nfs/dbraw/zinc/17/63/85/564176385.db2.gz LADLBQFBOQAKTC-HNNXBMFYSA-N 1 0 342.487 4.921 50 0 EJAARO COCC[N@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1ccc(C)cc1 ZINC000055166505 214281813 /nfs/dbraw/zinc/28/18/13/214281813.db2.gz IWJMUOXEGGSOQO-IBGZPJMESA-N 1 0 345.508 4.557 50 0 EJAARO CCCC[N@H+](Cc1ccco1)Cc1cccc(Oc2ncccn2)c1 ZINC000055385190 214315751 /nfs/dbraw/zinc/31/57/51/214315751.db2.gz XIKGXMQBJMIEPM-UHFFFAOYSA-N 1 0 337.423 4.664 50 0 EJAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004678541 210243826 /nfs/dbraw/zinc/24/38/26/210243826.db2.gz ZXFWRQYTLCEWDJ-UHFFFAOYSA-N 1 0 333.769 4.631 50 0 EJAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000057315512 214418581 /nfs/dbraw/zinc/41/85/81/214418581.db2.gz MEECJANBIBTQKO-CVEARBPZSA-N 1 0 348.446 4.526 50 0 EJAARO CCCCC[C@](O)(CC[NH+]1CCCCC1)c1ccc(OCC)cc1 ZINC000004141814 210131524 /nfs/dbraw/zinc/13/15/24/210131524.db2.gz UBBBYXAJTYNDRY-NRFANRHFSA-N 1 0 333.516 4.729 50 0 EJAARO CC(C)=CCCC1=CC[C@@H](CN(CCC[NH+](C)C)C(C)=O)[C@@H](C)C1 ZINC000004025882 210102996 /nfs/dbraw/zinc/10/29/96/210102996.db2.gz YFSDFXHVCMRUBE-RXVVDRJESA-N 1 0 334.548 4.506 50 0 biogenic EJAARO CC(C)=CCCC1=CC[C@@H](CN(CCC[NH+](C)C)C(C)=O)[C@H](C)C1 ZINC000004025881 210103098 /nfs/dbraw/zinc/10/30/98/210103098.db2.gz YFSDFXHVCMRUBE-NQIIRXRSSA-N 1 0 334.548 4.506 50 0 biogenic EJAARO CC(C)OP(=O)(OC(C)C)[C@@H]([NH3+])CC12CC3CC(CC(C3)C1)C2 ZINC000003900018 210087542 /nfs/dbraw/zinc/08/75/42/210087542.db2.gz WUUDGCVRDYMTOY-AWDGRILASA-N 1 0 343.448 4.921 50 0 EJAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2c(C)cc(C)cc2C)CC1 ZINC000003588699 210058927 /nfs/dbraw/zinc/05/89/27/210058927.db2.gz CERAGJRMXGDFCE-UHFFFAOYSA-N 1 0 347.572 4.505 50 0 EJAARO CCOc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000044124744 213608928 /nfs/dbraw/zinc/60/89/28/213608928.db2.gz VSQPBOQZBTWANL-MOPGFXCFSA-N 1 0 325.452 4.565 50 0 EJAARO CC[C@H](C)c1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042770359 213533263 /nfs/dbraw/zinc/53/32/63/213533263.db2.gz JBAWDLHNCYDYOD-ZDUSSCGKSA-N 1 0 340.305 4.731 50 0 EJAARO Cc1cc(C[NH+]2CCCC2)cc(Oc2ccc(C(F)(F)F)cn2)c1 ZINC000067769812 215207981 /nfs/dbraw/zinc/20/79/81/215207981.db2.gz VVEYFIBRUILLKN-UHFFFAOYSA-N 1 0 336.357 4.797 50 0 EJAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1nccc2occc21 ZINC000067784425 215210972 /nfs/dbraw/zinc/21/09/72/215210972.db2.gz LSZAZCJFMSUTOW-UHFFFAOYSA-N 1 0 338.407 4.615 50 0 EJAARO CCCC[NH2+]CCCCCCOc1ccc(Br)cc1 ZINC000002901325 209939393 /nfs/dbraw/zinc/93/93/93/209939393.db2.gz OARXEBFLILLFNO-UHFFFAOYSA-N 1 0 328.294 4.778 50 0 EJAARO COc1ccc(C[NH2+]CC[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000002157196 209825356 /nfs/dbraw/zinc/82/53/56/209825356.db2.gz FGCOYXVIXSZYRW-AZUAARDMSA-N 1 0 333.516 4.652 50 0 biogenic EJAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000019800875 202022281 /nfs/dbraw/zinc/02/22/81/202022281.db2.gz SGRXPZXZFVLCLR-CVDCTZTESA-N 1 0 343.470 4.758 50 0 EJAARO C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 ZINC000025356474 202129630 /nfs/dbraw/zinc/12/96/30/202129630.db2.gz FRQXWFNAGWOMDB-KRWDZBQOSA-N 1 0 327.431 4.876 50 0 EJAARO COCC[N@H+](Cc1nc(-c2cccc3ccccc32)oc1C)C(C)C ZINC000012387447 202134427 /nfs/dbraw/zinc/13/44/27/202134427.db2.gz QGFNONGYSZEYGX-UHFFFAOYSA-N 1 0 338.451 4.660 50 0 EJAARO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)c1 ZINC000036348382 213086974 /nfs/dbraw/zinc/08/69/74/213086974.db2.gz SYIBOSCFYZETPX-QFIPXVFZSA-N 1 0 334.438 4.931 50 0 EJAARO CCOc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036347748 213086731 /nfs/dbraw/zinc/08/67/31/213086731.db2.gz ODMZZAKTBBBATO-QHCPKHFHSA-N 1 0 346.474 4.882 50 0 EJAARO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036347554 213086124 /nfs/dbraw/zinc/08/61/24/213086124.db2.gz TUXPHMURPWFRBA-QHCPKHFHSA-N 1 0 346.474 4.800 50 0 EJAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000036347242 213085812 /nfs/dbraw/zinc/08/58/12/213085812.db2.gz CBPXPKGDNUQOOJ-HSZRJFAPSA-N 1 0 346.474 4.800 50 0 EJAARO Clc1ccc(-c2noc(-c3ccccc3C[NH+]3CCCC3)n2)cc1 ZINC000036047505 213058094 /nfs/dbraw/zinc/05/80/94/213058094.db2.gz DETGNIKKMVHNIQ-UHFFFAOYSA-N 1 0 339.826 4.653 50 0 EJAARO C[C@@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1cccs1)c1ccccc1 ZINC000032093804 202221279 /nfs/dbraw/zinc/22/12/79/202221279.db2.gz PHVYRZUFYKXMPO-NQIIRXRSSA-N 1 0 343.536 4.991 50 0 EJAARO CC(C)[NH+](CCOC(=O)[C@H](c1cccs1)[C@H]1C=CCCC1)C(C)C ZINC000033639062 212957998 /nfs/dbraw/zinc/95/79/98/212957998.db2.gz QTMYUJVVJGBKNX-HKUYNNGSSA-N 1 0 349.540 4.850 50 0 EJAARO C[C@](CC[NH2+][C@@H]1CCOC(C)(C)C1)(c1ccc(Cl)cc1)C1CC1 ZINC000032072511 212784804 /nfs/dbraw/zinc/78/48/04/212784804.db2.gz AEIBINHEKNGXPF-UYAOXDASSA-N 1 0 335.919 4.945 50 0 EJAARO COc1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3c3ccccn3)c(C)c2c1 ZINC000072154852 216044438 /nfs/dbraw/zinc/04/44/38/216044438.db2.gz YLOAEOYOZHBBRQ-OAQYLSRUSA-N 1 0 335.451 4.607 50 0 EJAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000036347820 202321465 /nfs/dbraw/zinc/32/14/65/202321465.db2.gz DPCSAWHFTHFOSB-JOCHJYFZSA-N 1 0 334.438 4.931 50 0 EJAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(C2CCCCC2)cc1Cl ZINC000000155479 209456420 /nfs/dbraw/zinc/45/64/20/209456420.db2.gz CCKJRHONEDLPNK-INIZCTEOSA-N 1 0 339.907 4.516 50 0 EJAARO Cc1nc([C@H](C)N(C)Cc2ccc(C[NH+]3CCCC3)s2)c(C)s1 ZINC000215559533 241132474 /nfs/dbraw/zinc/13/24/74/241132474.db2.gz FXDUSYUKELIMSL-ZDUSSCGKSA-N 1 0 349.569 4.610 50 0 EJAARO C[NH+](C)CC/C=C1/c2cc(F)ccc2CSc2ccc(F)cc21 ZINC000000346512 201462563 /nfs/dbraw/zinc/46/25/63/201462563.db2.gz UKUVYHBUSBKUMK-XRVIQIRUSA-N 1 0 331.431 4.954 50 0 EJAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2CC)cc1 ZINC000021720888 212244749 /nfs/dbraw/zinc/24/47/49/212244749.db2.gz DTDKEZZHZPPYOO-GOSISDBHSA-N 1 0 328.456 4.671 50 0 EJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1OC(C)C ZINC000021720926 212244436 /nfs/dbraw/zinc/24/44/36/212244436.db2.gz WZYWGLRUVPZHGX-QGZVFWFLSA-N 1 0 328.456 4.670 50 0 EJAARO C[N@@H+]1C[C@H](C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1 ZINC000229878629 242211058 /nfs/dbraw/zinc/21/10/58/242211058.db2.gz TZYCOGSJLNLMCK-HOTGVXAUSA-N 1 0 334.246 4.522 50 0 EJAARO Cc1cccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864906 212177942 /nfs/dbraw/zinc/17/79/42/212177942.db2.gz YZRCLSJHMHDABG-FQEVSTJZSA-N 1 0 334.488 4.919 50 0 EJAARO CCC[C@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868910 212179421 /nfs/dbraw/zinc/17/94/21/212179421.db2.gz ZPGXQPDUMYGAJT-PKTZIBPZSA-N 1 0 337.507 4.862 50 0 EJAARO Cc1ccc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCOC(C)(C)C2)s1 ZINC000244874917 243094276 /nfs/dbraw/zinc/09/42/76/243094276.db2.gz XJOHMGRWZGXONG-GOSISDBHSA-N 1 0 344.524 4.659 50 0 EJAARO Fc1ccc([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccncc3)no2)cc1 ZINC000244723526 243068609 /nfs/dbraw/zinc/06/86/09/243068609.db2.gz MDFOIGYZHRNVPF-HXUWFJFHSA-N 1 0 337.398 4.603 50 0 EJAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc3ccccc3c1)[NH2+]CC2 ZINC000020506936 212141139 /nfs/dbraw/zinc/14/11/39/212141139.db2.gz MNKDJXAYPKSZHU-HSZRJFAPSA-N 1 0 347.458 4.872 50 0 EJAARO c1cn(C[C@H](c2ccccc2)[NH+]2CCCCCC2)c(-c2cccnc2)n1 ZINC000071747018 203106551 /nfs/dbraw/zinc/10/65/51/203106551.db2.gz JWVCZFJLQHSLCT-OAQYLSRUSA-N 1 0 346.478 4.562 50 0 EJAARO c1cc([C@@H]2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)n[nH]1 ZINC000019535739 212039960 /nfs/dbraw/zinc/03/99/60/212039960.db2.gz RPOZBKSVZOZIQK-GOSISDBHSA-N 1 0 333.435 4.582 50 0 EJAARO Clc1ccc2cc(Nc3cc(C[NH+]4CCCC4)ccn3)ncc2c1 ZINC000085224800 217656284 /nfs/dbraw/zinc/65/62/84/217656284.db2.gz HAZBPEQJWFSYCU-UHFFFAOYSA-N 1 0 338.842 4.623 50 0 EJAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012241984 211328228 /nfs/dbraw/zinc/32/82/28/211328228.db2.gz VGYOLLSGSHOXGB-UHFFFAOYSA-N 1 0 335.426 4.595 50 0 EJAARO Cc1c([C@H](C)[NH2+]CCCc2ccccc2)cnn1-c1cccc(F)c1 ZINC000012204154 211321217 /nfs/dbraw/zinc/32/12/17/211321217.db2.gz DOOCSNHOPSCUMJ-INIZCTEOSA-N 1 0 337.442 4.603 50 0 EJAARO Cc1c([C@@H](C)[NH2+]CCCc2ccccc2)cnn1-c1cccc(F)c1 ZINC000012204146 211320732 /nfs/dbraw/zinc/32/07/32/211320732.db2.gz DOOCSNHOPSCUMJ-MRXNPFEDSA-N 1 0 337.442 4.603 50 0 EJAARO CC(C)(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000012098149 211291884 /nfs/dbraw/zinc/29/18/84/211291884.db2.gz XJXPPIYWHBZEGX-CYBMUJFWSA-N 1 0 333.426 4.580 50 0 EJAARO CC(C)n1ccnc1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000091486027 218011746 /nfs/dbraw/zinc/01/17/46/218011746.db2.gz VZXUCXKVGOLHGA-UHFFFAOYSA-N 1 0 335.854 4.636 50 0 EJAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC000091534941 218018997 /nfs/dbraw/zinc/01/89/97/218018997.db2.gz VFIVNUFVUBOTNW-OAQYLSRUSA-N 1 0 344.474 4.546 50 0 EJAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000011839956 211254461 /nfs/dbraw/zinc/25/44/61/211254461.db2.gz OZWZHDBOTWKQBD-SFHVURJKSA-N 1 0 345.442 4.626 50 0 EJAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 ZINC000010351442 211167386 /nfs/dbraw/zinc/16/73/86/211167386.db2.gz CSZYKZMDYFNJRB-FOIQADDNSA-N 1 0 340.442 4.510 50 0 EJAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 ZINC000010351437 211166994 /nfs/dbraw/zinc/16/69/94/211166994.db2.gz CSZYKZMDYFNJRB-YWZLYKJASA-N 1 0 340.442 4.510 50 0 EJAARO COc1cc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)ccc1SC ZINC000095419371 218359883 /nfs/dbraw/zinc/35/98/83/218359883.db2.gz CYWWOYIAZAYJRO-BBRMVZONSA-N 1 0 329.465 4.592 50 0 EJAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O ZINC000095427036 218369509 /nfs/dbraw/zinc/36/95/09/218369509.db2.gz HZOYGJNXOKTADW-XHDPSFHLSA-N 1 0 336.357 4.534 50 0 EJAARO CCS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000095444380 218388717 /nfs/dbraw/zinc/38/87/17/218388717.db2.gz IAJBWDLSSIBMSE-MVWJERBFSA-N 1 0 333.328 4.900 50 0 EJAARO COc1ccc2ccccc2c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000006647306 210668550 /nfs/dbraw/zinc/66/85/50/210668550.db2.gz ACROMYMRAOJPKX-UHFFFAOYSA-N 1 0 330.431 4.662 50 0 EJAARO Cc1cc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc(C)c1Cl ZINC000005924854 210559083 /nfs/dbraw/zinc/55/90/83/210559083.db2.gz PPBDFZXKCALXBB-OAHLLOKOSA-N 1 0 341.923 4.501 50 0 EJAARO Brc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000004990201 210353145 /nfs/dbraw/zinc/35/31/45/210353145.db2.gz KQTMXJIDLIAZOH-UHFFFAOYSA-N 1 0 344.296 4.904 50 0 EJAARO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OCc1ccccc1 ZINC000004987712 210351577 /nfs/dbraw/zinc/35/15/77/210351577.db2.gz RVJRKJHWOFRELA-HDICACEKSA-N 1 0 339.479 4.752 50 0 EJAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]Cc3cccnc3)o2)c1 ZINC000004842787 210296570 /nfs/dbraw/zinc/29/65/70/210296570.db2.gz KNCWFXIJCFLVIN-UHFFFAOYSA-N 1 0 333.218 4.938 50 0 EJAARO Cc1c2cc(-c3ccc([C@@H](C)[NH+]4CCCC4)cc3)ccc2[nH]c1CO ZINC000426395432 257970315 /nfs/dbraw/zinc/97/03/15/257970315.db2.gz UIWATGMSQYAJAO-MRXNPFEDSA-N 1 0 334.463 4.792 50 0 EJAARO c1ccc(Oc2cccc(C[NH+]3CCN(c4ccccc4)CC3)c2)cc1 ZINC000055543477 132195859 /nfs/dbraw/zinc/19/58/59/132195859.db2.gz VFUUMWZZGHDYHF-UHFFFAOYSA-N 1 0 344.458 4.801 50 0 EJAARO CC(C)C[C@@H](C)[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000048155950 132425395 /nfs/dbraw/zinc/42/53/95/132425395.db2.gz FBOQFQSSTVTIIV-MRXNPFEDSA-N 1 0 343.540 4.803 50 0 EJAARO CCC(=O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2 ZINC000000057465 521250607 /nfs/dbraw/zinc/25/06/07/521250607.db2.gz ZQTVCQIJTREKSP-UHFFFAOYSA-N 1 0 340.492 4.834 50 0 in-vitro EJAARO CC(C)(C)c1cc(Br)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770442 563924860 /nfs/dbraw/zinc/92/48/60/563924860.db2.gz KWRYVTAVYXOUPJ-ZDUSSCGKSA-N 1 0 340.305 4.515 50 0 EJAARO Brc1ccc(-c2csc(Nc3cc[nH+]cc3)n2)cc1 ZINC000000113038 563230656 /nfs/dbraw/zinc/23/06/56/563230656.db2.gz SCZXSIZZVVWYBC-UHFFFAOYSA-N 1 0 332.226 4.711 50 0 EJAARO Cc1ccc(C(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=[NH2+])cc1 ZINC000000178325 563253409 /nfs/dbraw/zinc/25/34/09/563253409.db2.gz YBBRQBNEGMHXRA-NRFANRHFSA-N 1 0 340.426 4.760 50 0 EJAARO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000000210668 563260833 /nfs/dbraw/zinc/26/08/33/563260833.db2.gz YVDOBJABOBRJAQ-INIZCTEOSA-N 1 0 345.527 4.923 50 0 EJAARO COc1cc(C[NH+]2CCC(C)CC2)ccc1OCc1ccccc1 ZINC000000216730 563261871 /nfs/dbraw/zinc/26/18/71/563261871.db2.gz NHZBQJDEXLJZPQ-UHFFFAOYSA-N 1 0 325.452 4.506 50 0 EJAARO C[N@@H+]1CCC[C@@H](OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 ZINC000000459958 563326082 /nfs/dbraw/zinc/32/60/82/563326082.db2.gz LIXBXGQITYSGOE-GOSISDBHSA-N 1 0 331.500 4.533 50 0 EJAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1 ZINC000001809907 563413095 /nfs/dbraw/zinc/41/30/95/563413095.db2.gz APRDXPRFHJTFDV-SFTDATJTSA-N 1 0 327.468 4.676 50 0 biogenic EJAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000002514585 563435608 /nfs/dbraw/zinc/43/56/08/563435608.db2.gz FHUFVBWDHVGEOW-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000002514587 563435626 /nfs/dbraw/zinc/43/56/26/563435626.db2.gz OGNZGJDQRIXCEZ-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO CSc1ccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000002515004 563435802 /nfs/dbraw/zinc/43/58/02/563435802.db2.gz CSQVZBJIDXUBSD-UHFFFAOYSA-N 1 0 325.477 4.625 50 0 EJAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)c(F)c1 ZINC000002515018 563435834 /nfs/dbraw/zinc/43/58/34/563435834.db2.gz PQDSQEOVXVKKAJ-UHFFFAOYSA-N 1 0 331.818 4.696 50 0 EJAARO O=C(c1ccc(C(F)(F)F)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515024 563435839 /nfs/dbraw/zinc/43/58/39/563435839.db2.gz MUNLUXAEMMWICG-UHFFFAOYSA-N 1 0 347.380 4.922 50 0 EJAARO O=C(c1ccccc1C[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000002515573 563437094 /nfs/dbraw/zinc/43/70/94/563437094.db2.gz QBVDOAQREOUYIN-UHFFFAOYSA-N 1 0 333.353 4.532 50 0 EJAARO O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515584 563437119 /nfs/dbraw/zinc/43/71/19/563437119.db2.gz AOCSLRUFTYSNFD-UHFFFAOYSA-N 1 0 334.246 4.820 50 0 EJAARO CC[NH+](CC)CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004187175 563497271 /nfs/dbraw/zinc/49/72/71/563497271.db2.gz PAQQIJAKCNJBNB-UHFFFAOYSA-N 1 0 327.512 4.875 50 0 EJAARO O=C(Cc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004991105 563517860 /nfs/dbraw/zinc/51/78/60/563517860.db2.gz YXRNFJKLTRVOBW-UHFFFAOYSA-N 1 0 342.870 4.507 50 0 EJAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000005031923 563519346 /nfs/dbraw/zinc/51/93/46/563519346.db2.gz SALXXAYWFIHUAL-HNNXBMFYSA-N 1 0 332.875 4.557 50 0 EJAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C(C)=O)c3)c2c1 ZINC000006350401 563565542 /nfs/dbraw/zinc/56/55/42/563565542.db2.gz KTADYZDTOHTNMR-UHFFFAOYSA-N 1 0 348.402 4.666 50 0 EJAARO CSc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000584904375 563602017 /nfs/dbraw/zinc/60/20/17/563602017.db2.gz TYNSPCQSRXPYIG-LEWJYISDSA-N 1 0 344.568 4.637 50 0 EJAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](C4CCCC4)C3)ccc2c1 ZINC000012431161 563660758 /nfs/dbraw/zinc/66/07/58/563660758.db2.gz JNSVKSRNLAOUJI-IBGZPJMESA-N 1 0 337.463 4.686 50 0 EJAARO CC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012577681 563663847 /nfs/dbraw/zinc/66/38/47/563663847.db2.gz WKMVETIQZLPUOI-UHFFFAOYSA-N 1 0 345.446 4.796 50 0 EJAARO Oc1ccc([C@@H]2[NH2+]C[C@H](c3cccs3)c3c4ccccc4[nH]c32)cc1 ZINC000032666109 563678339 /nfs/dbraw/zinc/67/83/39/563678339.db2.gz VRGSDOREZIQCQX-UZLBHIALSA-N 1 0 346.455 4.760 50 0 EJAARO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012992652 563682622 /nfs/dbraw/zinc/68/26/22/563682622.db2.gz FJLKKRPPIISOIZ-KRWDZBQOSA-N 1 0 332.447 4.607 50 0 EJAARO COc1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000032751336 563724455 /nfs/dbraw/zinc/72/44/55/563724455.db2.gz TVLSPUUKQVLXNZ-QGZVFWFLSA-N 1 0 347.405 4.806 50 0 EJAARO C[C@H](c1ccc(F)cc1)[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000032843159 563761340 /nfs/dbraw/zinc/76/13/40/563761340.db2.gz VPAVAVINIUKVBX-CYBMUJFWSA-N 1 0 345.443 4.563 50 0 EJAARO FC(F)(F)c1ccc2c(c1)[n+](Cc1ccccc1)c1n2CCCCC1 ZINC000015953201 563800843 /nfs/dbraw/zinc/80/08/43/563800843.db2.gz BNYDCBFYXHWIOH-UHFFFAOYSA-N 1 0 345.388 4.722 50 0 EJAARO Fc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000016449734 563811683 /nfs/dbraw/zinc/81/16/83/563811683.db2.gz JPXDFWADKQSRPF-UHFFFAOYSA-N 1 0 339.385 4.834 50 0 EJAARO Fc1ccccc1COc1ccccc1C[NH2+]Cc1cccs1 ZINC000016449792 563812043 /nfs/dbraw/zinc/81/20/43/563812043.db2.gz WARRPFNOUDYPNA-UHFFFAOYSA-N 1 0 327.424 4.756 50 0 EJAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]Cc3ccncc3)o2)c1 ZINC000016489189 563813262 /nfs/dbraw/zinc/81/32/62/563813262.db2.gz LCVFGFADLMNWSU-UHFFFAOYSA-N 1 0 333.218 4.938 50 0 EJAARO Cc1ccc(C)c(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019635125 563856227 /nfs/dbraw/zinc/85/62/27/563856227.db2.gz MVSZIDQWSGAVQV-UHFFFAOYSA-N 1 0 330.475 4.779 50 0 EJAARO C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 ZINC000025356470 563883654 /nfs/dbraw/zinc/88/36/54/563883654.db2.gz FRQXWFNAGWOMDB-QGZVFWFLSA-N 1 0 327.431 4.876 50 0 EJAARO Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3cccs3)cc(=O)oc2c1 ZINC000025423995 563884616 /nfs/dbraw/zinc/88/46/16/563884616.db2.gz OEUBNDWFXOQMBG-INIZCTEOSA-N 1 0 325.433 4.500 50 0 EJAARO CCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027584016 563897444 /nfs/dbraw/zinc/89/74/44/563897444.db2.gz BBOZOVPZWXTDHZ-SFHVURJKSA-N 1 0 336.907 4.564 50 0 EJAARO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925511 563904670 /nfs/dbraw/zinc/90/46/70/563904670.db2.gz CRXHIPAGZPAZHK-NSHDSACASA-N 1 0 334.872 4.601 50 0 EJAARO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029483166 563906803 /nfs/dbraw/zinc/90/68/03/563906803.db2.gz QSELXJPKDKYPSU-FQEVSTJZSA-N 1 0 336.479 4.676 50 0 EJAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018629 563914772 /nfs/dbraw/zinc/91/47/72/563914772.db2.gz HSTAFMYXXLOKKT-UHFFFAOYSA-N 1 0 339.410 4.653 50 0 EJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)cc1O ZINC000033087155 563914957 /nfs/dbraw/zinc/91/49/57/563914957.db2.gz KMNHWPXZZJNRGM-SFHVURJKSA-N 1 0 329.415 4.657 50 0 EJAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000000081030 563916881 /nfs/dbraw/zinc/91/68/81/563916881.db2.gz LUKUBICLEWSDST-UHFFFAOYSA-N 1 0 349.434 4.530 50 0 EJAARO CC(C)COc1ccc2c(c1)Sc1ccccc1N2CC[NH+](C)C ZINC000000114615 563916943 /nfs/dbraw/zinc/91/69/43/563916943.db2.gz BOVOUAFYVJJDTB-UHFFFAOYSA-N 1 0 342.508 4.886 50 0 EJAARO COc1ccc2ccccc2c1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000022023194 563918421 /nfs/dbraw/zinc/91/84/21/563918421.db2.gz LANDPAARNHPNHM-NRFANRHFSA-N 1 0 332.447 4.971 50 0 EJAARO CSc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000022078090 563918452 /nfs/dbraw/zinc/91/84/52/563918452.db2.gz TYNSPCQSRXPYIG-RTWAWAEBSA-N 1 0 344.568 4.637 50 0 EJAARO COc1cc(C[NH2+]C2CCC(c3ccccc3)CC2)cc(OC)c1 ZINC000023283439 563919374 /nfs/dbraw/zinc/91/93/74/563919374.db2.gz HUVIGBSBKUINHE-UHFFFAOYSA-N 1 0 325.452 4.520 50 0 EJAARO Cc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000042995858 563925120 /nfs/dbraw/zinc/92/51/20/563925120.db2.gz BBIRNDJBYQCHGR-LJQANCHMSA-N 1 0 349.453 4.904 50 0 EJAARO O=C1C[C@H](C2CC[NH+](Cc3ccccc3)CC2)Sc2ccccc21 ZINC000045302652 563929072 /nfs/dbraw/zinc/92/90/72/563929072.db2.gz XWMHOCDNGHEUMF-OAQYLSRUSA-N 1 0 337.488 4.646 50 0 EJAARO Cc1ccc([C@H](CC[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c2ccco2)cc1 ZINC000013654344 563931477 /nfs/dbraw/zinc/93/14/77/563931477.db2.gz BGTUPBQBRXSYOP-JAXLGGSGSA-N 1 0 341.495 4.903 50 0 EJAARO C[C@]12CCCC[N@@H+]1CCc1c3ccccc3n(Cc3ccccc3)c12 ZINC000051943493 563931970 /nfs/dbraw/zinc/93/19/70/563931970.db2.gz ZBJOXDVCELHJTF-HSZRJFAPSA-N 1 0 330.475 4.947 50 0 EJAARO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCCc1ccccc1 ZINC000060356449 563933042 /nfs/dbraw/zinc/93/30/42/563933042.db2.gz YRDGIYUEOHBWNT-UHFFFAOYSA-N 1 0 334.463 4.839 50 0 EJAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000058081602 563937168 /nfs/dbraw/zinc/93/71/68/563937168.db2.gz IYFDIFYDLBZXOO-KRWDZBQOSA-N 1 0 338.476 4.919 50 0 EJAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984490 563957550 /nfs/dbraw/zinc/95/75/50/563957550.db2.gz BCOHUCOTUQLXMZ-LJQANCHMSA-N 1 0 328.456 4.924 50 0 EJAARO COCc1nc2cc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)ccc2o1 ZINC000065430947 563960796 /nfs/dbraw/zinc/96/07/96/563960796.db2.gz PQLIPTQMAZJTFX-OAHLLOKOSA-N 1 0 336.435 4.798 50 0 EJAARO Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3cccnc3)c(C)o2)o1 ZINC000067514584 563962326 /nfs/dbraw/zinc/96/23/26/563962326.db2.gz ATRYBZXWQSRUJA-GOSISDBHSA-N 1 0 337.423 4.674 50 0 EJAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2cccc3c2OCO3)s1 ZINC000060527064 563964580 /nfs/dbraw/zinc/96/45/80/563964580.db2.gz PGVWJOHCIMATMB-UHFFFAOYSA-N 1 0 341.407 4.573 50 0 EJAARO C(=C/c1ccccc1)\C[NH+](C/C=C/c1ccccc1)C[C@@H]1CCCO1 ZINC000004699203 563964763 /nfs/dbraw/zinc/96/47/63/563964763.db2.gz CKKCAEVOVWDVFC-MHCORSEWSA-N 1 0 333.475 4.894 50 0 EJAARO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000071738814 563964892 /nfs/dbraw/zinc/96/48/92/563964892.db2.gz ULYZWVAGBKJAQQ-MRXNPFEDSA-N 1 0 348.412 4.945 50 0 EJAARO O=C(c1c[nH]c2ccccc12)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000071770261 563965621 /nfs/dbraw/zinc/96/56/21/563965621.db2.gz AHVIYSFSUDWFJQ-FQEVSTJZSA-N 1 0 332.447 4.620 50 0 EJAARO O=C(C[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21)c1ccc(F)cc1 ZINC000097229476 563970646 /nfs/dbraw/zinc/97/06/46/563970646.db2.gz IQONXZGKSQNZAH-FQEVSTJZSA-N 1 0 348.421 4.611 50 0 EJAARO CC(C)N(C(=O)c1ccccc1-c1cccc2c(N)cc[nH+]c21)C(C)C ZINC000096131671 563979328 /nfs/dbraw/zinc/97/93/28/563979328.db2.gz RUFAHJCQTIWOQR-UHFFFAOYSA-N 1 0 347.462 4.743 50 0 EJAARO COc1cc(C)cc(-c2ccc(C[NH+]3CCCCC3)cc2)c1OC ZINC000096159990 563979788 /nfs/dbraw/zinc/97/97/88/563979788.db2.gz YVSCDKNUPIXPNN-UHFFFAOYSA-N 1 0 325.452 4.665 50 0 EJAARO c1ccc2c(c1)cccc2OCCCCCC[NH2+]C[C@@H]1CCCO1 ZINC000004859574 563992115 /nfs/dbraw/zinc/99/21/15/563992115.db2.gz MXKMAEAINHFLGT-IBGZPJMESA-N 1 0 327.468 4.548 50 0 EJAARO O=C(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000000500603 564018977 /nfs/dbraw/zinc/01/89/77/564018977.db2.gz ZLFSDULZRLGADG-IBGZPJMESA-N 1 0 327.855 4.792 50 0 EJAARO CC(C)CC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000103204031 564022029 /nfs/dbraw/zinc/02/20/29/564022029.db2.gz BZJSNQIIXJXKDL-FEHORTKBSA-N 1 0 328.500 4.601 50 0 EJAARO C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1C[NH+](C)C ZINC000048374504 564031553 /nfs/dbraw/zinc/03/15/53/564031553.db2.gz GLVLLBGAURBPHW-ZDUSSCGKSA-N 1 0 348.899 4.521 50 0 EJAARO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)cn1 ZINC000095962852 564033829 /nfs/dbraw/zinc/03/38/29/564033829.db2.gz WEWNFUXQMYODCN-OLZOCXBDSA-N 1 0 336.277 4.638 50 0 EJAARO COc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(Cl)c1OC ZINC000025259761 564036913 /nfs/dbraw/zinc/03/69/13/564036913.db2.gz UISAOLGCWGGSGX-KRWDZBQOSA-N 1 0 331.843 4.524 50 0 EJAARO C[N@H+](Cc1ccccc1NC(=O)[C@H]1CC=CCC1)C1CCCCC1 ZINC000040049143 564044698 /nfs/dbraw/zinc/04/46/98/564044698.db2.gz VYJGEKRKXOGXMM-KRWDZBQOSA-N 1 0 326.484 4.746 50 0 EJAARO C[C@H]([NH2+]Cc1cccc2cccnc21)c1cccc(Br)c1 ZINC000028925723 564047588 /nfs/dbraw/zinc/04/75/88/564047588.db2.gz WXTYAZXBAQKCIT-ZDUSSCGKSA-N 1 0 341.252 4.848 50 0 EJAARO C[N@@H+]1CCC[C@H](O[C@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000252490104 564053446 /nfs/dbraw/zinc/05/34/46/564053446.db2.gz KJDWUCZKWFAWFB-UWJYYQICSA-N 1 0 339.504 4.883 50 0 EJAARO Cc1ccc(C(C)C)c(OCCCCCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000005856410 564056642 /nfs/dbraw/zinc/05/66/42/564056642.db2.gz LHQBJAXIPLIGRV-IBGZPJMESA-N 1 0 333.516 4.826 50 0 EJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCOc1ccccc1 ZINC000005942834 564057230 /nfs/dbraw/zinc/05/72/30/564057230.db2.gz XBJIGZBXAGUNPC-OAQYLSRUSA-N 1 0 334.463 4.912 50 0 EJAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@H]1[C@H](O)c1ccccc1 ZINC000005952376 564057270 /nfs/dbraw/zinc/05/72/70/564057270.db2.gz FKKYWOZIJLITIY-FCHUYYIVSA-N 1 0 346.474 4.687 50 0 EJAARO CC[NH+](CC)Cc1ccccc1CNc1nc2ccccc2s1 ZINC000012745769 564065633 /nfs/dbraw/zinc/06/56/33/564065633.db2.gz OJEZKMOBDMWVTD-UHFFFAOYSA-N 1 0 325.481 4.750 50 0 EJAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)cc1 ZINC000012754297 564067157 /nfs/dbraw/zinc/06/71/57/564067157.db2.gz LSMFEVRVLVSGJC-HZPDHXFCSA-N 1 0 348.446 4.526 50 0 EJAARO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2ccccc2)CC1 ZINC000084667780 564069529 /nfs/dbraw/zinc/06/95/29/564069529.db2.gz QMKMTWBDGYZBLX-AWEZNQCLSA-N 1 0 339.464 4.739 50 0 EJAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000001176786 564083093 /nfs/dbraw/zinc/08/30/93/564083093.db2.gz ATIWHAUCBKCFSB-QFIPXVFZSA-N 1 0 329.443 4.902 50 0 EJAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000239275171 564088036 /nfs/dbraw/zinc/08/80/36/564088036.db2.gz BGOONDJWFCOMKF-DOMZBBRYSA-N 1 0 334.872 4.566 50 0 EJAARO CC(C)[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000239402510 564088102 /nfs/dbraw/zinc/08/81/02/564088102.db2.gz QTCCWCRPTWVSSV-NQDIBGKZSA-N 1 0 337.507 5.074 50 0 EJAARO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000244724589 564088578 /nfs/dbraw/zinc/08/85/78/564088578.db2.gz MWYKJAWYUDYBMH-FCHUYYIVSA-N 1 0 326.528 4.532 50 0 EJAARO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000089548110 564092817 /nfs/dbraw/zinc/09/28/17/564092817.db2.gz ZWBSNWQQGSVQDU-FQEVSTJZSA-N 1 0 334.419 4.693 50 0 EJAARO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000007389223 564107608 /nfs/dbraw/zinc/10/76/08/564107608.db2.gz GNGUTLBKOLBDQP-NRFANRHFSA-N 1 0 336.479 4.715 50 0 EJAARO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606862 564109579 /nfs/dbraw/zinc/10/95/79/564109579.db2.gz RDXJWDYYYVGSKU-ZHRRBRCNSA-N 1 0 347.437 4.866 50 0 EJAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc(Cl)c1 ZINC000013325206 564111533 /nfs/dbraw/zinc/11/15/33/564111533.db2.gz FXOASRCIMVPKDC-UHFFFAOYSA-N 1 0 329.831 4.580 50 0 EJAARO COc1ccc(-c2csc(C[NH2+]Cc3ccc(F)cc3)c2)cc1 ZINC000237452625 564117750 /nfs/dbraw/zinc/11/77/50/564117750.db2.gz DYANEVNULGQSBY-UHFFFAOYSA-N 1 0 327.424 4.853 50 0 EJAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002209061 564121218 /nfs/dbraw/zinc/12/12/18/564121218.db2.gz LJZRIKYFPLWKSF-KRWDZBQOSA-N 1 0 346.474 4.694 50 0 EJAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002209063 564121234 /nfs/dbraw/zinc/12/12/34/564121234.db2.gz LJZRIKYFPLWKSF-QGZVFWFLSA-N 1 0 346.474 4.694 50 0 EJAARO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000007654083 564121555 /nfs/dbraw/zinc/12/15/55/564121555.db2.gz FTLSGFLBFISHGF-WFXMLNOXSA-N 1 0 336.479 4.653 50 0 EJAARO CN(CC(=O)c1c2ccccc2[nH]c1-c1ccccc1)Cc1ccco1 ZINC000007919006 564125207 /nfs/dbraw/zinc/12/52/07/564125207.db2.gz LRNQUTXLRDSINJ-UHFFFAOYSA-N 1 0 344.414 4.743 50 0 EJAARO Fc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccc(F)cc2)cc1 ZINC000002374463 564133888 /nfs/dbraw/zinc/13/38/88/564133888.db2.gz VTSIWKOGAUPEGJ-IBGZPJMESA-N 1 0 327.374 4.870 50 0 EJAARO FC(F)(F)Oc1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055211071 564134445 /nfs/dbraw/zinc/13/44/45/564134445.db2.gz JJEXDQGGUVTJJC-SFHVURJKSA-N 1 0 344.336 4.569 50 0 EJAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095946718 564142255 /nfs/dbraw/zinc/14/22/55/564142255.db2.gz UOCLZCIQOCUTEB-GTNSWQLSSA-N 1 0 349.261 4.598 50 0 EJAARO Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000095967913 564143058 /nfs/dbraw/zinc/14/30/58/564143058.db2.gz BJDJPGCYRQRERD-MRXNPFEDSA-N 1 0 345.508 4.603 50 0 EJAARO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)sc2C)cc1NC(C)=O ZINC000096476496 564148432 /nfs/dbraw/zinc/14/84/32/564148432.db2.gz GNXZAMQTLRWCFV-CHWSQXEVSA-N 1 0 346.496 4.744 50 0 EJAARO CN1CCC([NH2+]CCC2(Cc3ccc(Cl)cc3)CCCCC2)CC1 ZINC000096536565 564148820 /nfs/dbraw/zinc/14/88/20/564148820.db2.gz PZLDDSDTJZRTFT-UHFFFAOYSA-N 1 0 348.962 4.907 50 0 EJAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000057315511 564153554 /nfs/dbraw/zinc/15/35/54/564153554.db2.gz MEECJANBIBTQKO-HOTGVXAUSA-N 1 0 348.446 4.526 50 0 EJAARO Cc1cc2oc(=O)cc(C[N@H+]3CC=C(c4ccccc4)CC3)c2cc1C ZINC000057406459 564153989 /nfs/dbraw/zinc/15/39/89/564153989.db2.gz AWZJZWOYQNTPIB-UHFFFAOYSA-N 1 0 345.442 4.699 50 0 EJAARO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000057681658 564155442 /nfs/dbraw/zinc/15/54/42/564155442.db2.gz CVMDWBSIEASELO-LLVKDONJSA-N 1 0 340.250 4.861 50 0 EJAARO CCc1ccc2c(C[N@@H+]3CCC[C@H]3c3cccs3)cc(=O)oc2c1 ZINC000057758634 564155726 /nfs/dbraw/zinc/15/57/26/564155726.db2.gz QGZJQNMNRUCDNJ-KRWDZBQOSA-N 1 0 339.460 4.754 50 0 EJAARO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccc(F)cc1 ZINC000003194168 564155863 /nfs/dbraw/zinc/15/58/63/564155863.db2.gz PXLSWTDGJZTXAG-UHFFFAOYSA-N 1 0 332.463 4.732 50 0 EJAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000003403470 564157983 /nfs/dbraw/zinc/15/79/83/564157983.db2.gz LHSBPAFOGQSYOH-UHFFFAOYSA-N 1 0 348.796 4.562 50 0 EJAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 ZINC000003476767 564158335 /nfs/dbraw/zinc/15/83/35/564158335.db2.gz AOFYTWRPMZATHC-OPAMFIHVSA-N 1 0 344.458 4.834 50 0 EJAARO CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000008126572 564162896 /nfs/dbraw/zinc/16/28/96/564162896.db2.gz QDWOPAICAFGVPC-OAQYLSRUSA-N 1 0 336.479 4.758 50 0 EJAARO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc3ccccc32)c1C ZINC000008153148 564163219 /nfs/dbraw/zinc/16/32/19/564163219.db2.gz UDRUBLDFUHZJIC-UHFFFAOYSA-N 1 0 332.447 4.527 50 0 EJAARO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320646 564164364 /nfs/dbraw/zinc/16/43/64/564164364.db2.gz YIDXPZFRIWKIBD-IUODEOHRSA-N 1 0 334.872 4.566 50 0 EJAARO CCN(C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccccc1C ZINC000040155740 564168399 /nfs/dbraw/zinc/16/83/99/564168399.db2.gz DBBUSWYGLFTDGJ-NRFANRHFSA-N 1 0 338.495 4.725 50 0 EJAARO CC(C)[NH+]1CCC(c2nccn2[C@H](C)c2ccc3[nH]ccc3c2)CC1 ZINC000071746863 564175213 /nfs/dbraw/zinc/17/52/13/564175213.db2.gz UPMVUFQVFLHLBX-MRXNPFEDSA-N 1 0 336.483 4.562 50 0 EJAARO