smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](C2Sc3ncnn3C2=O)[NH+]2CCC(C)CC2)cc1 ZINC000023643602 202107473 /nfs/dbraw/zinc/10/74/73/202107473.db2.gz MYZYVHYBPIOXCQ-HNNXBMFYSA-N 1 2 342.468 3.626 3 0 EHAFLO CC(C)(C)c1cc(Br)c2c(c1)C(=O)[C@@H](n1cc[nH+]c1)CO2 ZINC000027329988 202153695 /nfs/dbraw/zinc/15/36/95/202153695.db2.gz FORIFJIHUHJWDU-ZDUSSCGKSA-N 1 2 349.228 3.760 1 0 EHAFLO c1cn(CCC2(c3ccc4c(c3)Cc3ccccc3-4)OCCO2)c[nH+]1 ZINC000029342124 202185659 /nfs/dbraw/zinc/18/56/59/202185659.db2.gz CPRGKYLMCCOZSY-UHFFFAOYSA-N 1 2 332.403 3.744 1 0 EHAFLO Cc1c[nH+]ccc1NC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F ZINC000103183458 204066151 /nfs/dbraw/zinc/06/61/51/204066151.db2.gz IABNTNXHBPRWKM-UHFFFAOYSA-N 1 2 346.312 3.847 1 0 EHAFLO CCOC(=O)CCC[NH2+][C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910543 203900851 /nfs/dbraw/zinc/90/08/51/203900851.db2.gz FZIHUEMGZWQMJF-GOSISDBHSA-N 1 2 337.847 3.611 1 0 EHAFLO CC(C)(C)c1cc(Br)c2c(c1)C(=O)[C@H](n1cc[nH+]c1)CO2 ZINC000027329984 202153516 /nfs/dbraw/zinc/15/35/16/202153516.db2.gz FORIFJIHUHJWDU-CYBMUJFWSA-N 1 2 349.228 3.760 1 0 EHAFLO CS(=O)(=O)Nc1cc[nH+]cc1Oc1ccc(Cl)cc1Cl ZINC000013586675 201365945 /nfs/dbraw/zinc/36/59/45/201365945.db2.gz YALPORKUDWSYAM-UHFFFAOYSA-N 1 2 333.196 3.552 1 0 EHAFLO Cc1nnc(C2CCN(c3cccc[nH+]3)CC2)n1-c1ccc(C)cc1 ZINC000072123590 203164803 /nfs/dbraw/zinc/16/48/03/203164803.db2.gz SEXVTVLAOYMVCU-UHFFFAOYSA-N 1 2 333.439 3.663 1 0 EHAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@@H](C)C1C(=O)OCC ZINC000026816354 202148169 /nfs/dbraw/zinc/14/81/69/202148169.db2.gz FPXKPEYPNBANNM-ZSPVLXODSA-N 1 2 329.396 3.878 1 0 EHAFLO COc1ccc(N2c3ccccc3/C(=C(\C)[NH+](C)C)C2=O)cc1F ZINC000027517732 202156394 /nfs/dbraw/zinc/15/63/94/202156394.db2.gz RFDVWNQMXHWNIO-PDGQHHTCSA-N 1 2 326.371 3.805 1 0 EHAFLO CC1(C)C(=O)Nc2cc3nc(-c4ccc(-n5cc[nH+]c5)cc4)[nH]c3cc21 ZINC000029244088 202182708 /nfs/dbraw/zinc/18/27/08/202182708.db2.gz WBVJNIWMGSKNCA-UHFFFAOYSA-N 1 2 343.390 3.645 1 0 EHAFLO C[C@H]1Nc2ccc([NH+]3CCCCC3)cc2C(=O)N1c1cccc(O)c1 ZINC000072113391 203162551 /nfs/dbraw/zinc/16/25/51/203162551.db2.gz BRQYKMOQBRVSGU-AWEZNQCLSA-N 1 2 337.423 3.801 1 0 EHAFLO CC(C)COc1ccccc1[C@@H](c1ccns1)N1CC[NH+](C)CC1 ZINC000028249043 202168471 /nfs/dbraw/zinc/16/84/71/202168471.db2.gz XDISHWVWTIZFLX-IBGZPJMESA-N 1 2 345.512 3.515 1 0 EHAFLO O=C1c2cc3ccccc3cc2[C@]2(c3ccc(Cl)cc3)[NH2+]CCN12 ZINC000031900519 202211726 /nfs/dbraw/zinc/21/17/26/202211726.db2.gz MJYUYNNPUNFARL-HXUWFJFHSA-N 1 2 334.806 3.753 1 0 EHAFLO COc1ccc(-c2[nH+]ccn2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000040576506 202634596 /nfs/dbraw/zinc/63/45/96/202634596.db2.gz NRFSVLJKNUSJIN-UHFFFAOYSA-N 1 2 340.379 3.574 1 0 EHAFLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071764144 203110197 /nfs/dbraw/zinc/11/01/97/203110197.db2.gz HIRKPHYOKGNZSN-OAHLLOKOSA-N 1 2 326.227 3.598 1 0 EHAFLO COC(=O)c1cccc([C@H]2[C@@H](C)[NH+]=CN2Nc2cccc(Cl)c2)c1 ZINC000029327286 202185556 /nfs/dbraw/zinc/18/55/56/202185556.db2.gz OHGGTSHOCBRKHO-SJKOYZFVSA-N 1 2 343.814 3.927 1 0 EHAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@H](C)C1C(=O)OCC ZINC000026816359 202147639 /nfs/dbraw/zinc/14/76/39/202147639.db2.gz FPXKPEYPNBANNM-JIUKNFRESA-N 1 2 329.396 3.878 1 0 EHAFLO OCCNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)cc[nH+]1 ZINC000027524437 202155964 /nfs/dbraw/zinc/15/59/64/202155964.db2.gz IDYORHLXHWWCGG-UHFFFAOYSA-N 1 2 348.381 3.835 1 0 EHAFLO C[C@H]1CO[C@@](Cn2cc[nH+]c2)(c2ccc3c(c2)Cc2ccccc2-3)O1 ZINC000029346563 202185388 /nfs/dbraw/zinc/18/53/88/202185388.db2.gz LQQIQVLTAPFYIK-YCRPNKLZSA-N 1 2 332.403 3.743 1 0 EHAFLO Nc1nc(N)c2c(Cl)c(CNc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000029467015 202186849 /nfs/dbraw/zinc/18/68/49/202186849.db2.gz POABSTJQVCGAIB-UHFFFAOYSA-N 1 2 334.210 3.713 1 0 EHAFLO O=C1[C@@H]2CCCC[C@H]2[NH+]=C(c2ccccc2O)N1CCc1ccccc1 ZINC000028523866 202171442 /nfs/dbraw/zinc/17/14/42/202171442.db2.gz CVVOQWRQKUEKTG-IEBWSBKVSA-N 1 2 348.446 3.783 1 0 EHAFLO c1ccc2c(c1)O[C@H]([NH+]1CCCCC1)c1cnc(N3CCCC3)nc1-2 ZINC000029207860 202182660 /nfs/dbraw/zinc/18/26/60/202182660.db2.gz CYEUFERVPRLJQW-IBGZPJMESA-N 1 2 336.439 3.621 1 0 EHAFLO CCN1c2ncccc2-c2[nH+]cc(C)n2-c2ccc(N3CCCC3)nc21 ZINC000029468528 202188181 /nfs/dbraw/zinc/18/81/81/202188181.db2.gz SAMGQVAPQBIJDZ-UHFFFAOYSA-N 1 2 346.438 3.709 1 0 EHAFLO CC(=O)N[C@@H]1[C@H]2C=C(C)C[C@@H]1c1c(N)c3ccc(Cl)cc3[nH+]c1C2 ZINC000036287149 202320159 /nfs/dbraw/zinc/32/01/59/202320159.db2.gz SRBWAIWJMGLCDO-GEDNVKPRSA-N 1 2 341.842 3.581 1 0 EHAFLO COc1ccc(-c2cc(-c3ccc(-n4cc[nH+]c4)cc3)nc(N)n2)cc1 ZINC000103181502 204065480 /nfs/dbraw/zinc/06/54/80/204065480.db2.gz ZBTPLBYWNVMISC-UHFFFAOYSA-N 1 2 343.390 3.587 1 0 EHAFLO C[NH+](C)c1ccc(Nc2nc(Cl)nc3cc4c(cc32)OCO4)cc1 ZINC000103226725 204067488 /nfs/dbraw/zinc/06/74/88/204067488.db2.gz VIRNXBLBYJOYLS-UHFFFAOYSA-N 1 2 342.786 3.822 1 0 EHAFLO O[C@](Cn1cc[nH+]c1)(c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000026848725 202149121 /nfs/dbraw/zinc/14/91/21/202149121.db2.gz JDLZBBMNVPQSSQ-JOCHJYFZSA-N 1 2 341.414 3.881 1 0 EHAFLO CC(C)Oc1nc(Nc2ccc3[nH]c[nH+]c3c2)ncc1C(F)(F)F ZINC000028520534 202171152 /nfs/dbraw/zinc/17/11/52/202171152.db2.gz BWBDFPICCPCNOU-UHFFFAOYSA-N 1 2 337.305 3.903 1 0 EHAFLO COc1cccc(-n2nc(C[NH+](C)C)nc2-c2ccc(C)cc2C)c1 ZINC000045393552 202551283 /nfs/dbraw/zinc/55/12/83/202551283.db2.gz OMRBVDPYQZDZDR-UHFFFAOYSA-N 1 2 336.439 3.621 1 0 EHAFLO CC(C)[NH2+]CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000103290701 204073051 /nfs/dbraw/zinc/07/30/51/204073051.db2.gz YCEJUJDELCGUJN-UHFFFAOYSA-N 1 2 339.391 3.542 1 0 EHAFLO CCCCC(=O)[C@@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026013628 201385893 /nfs/dbraw/zinc/38/58/93/201385893.db2.gz BDFHLRURZGTVEZ-MRXNPFEDSA-N 1 2 341.238 3.837 1 0 EHAFLO Oc1ccc(C2=C3C=CC4=CC=C[C@H]([C@@H]2CCc2ccccc2)[N@H+]43)cc1 ZINC000026481779 202144083 /nfs/dbraw/zinc/14/40/83/202144083.db2.gz JPTLGQQTIHMDCX-FCHUYYIVSA-N 1 2 339.438 3.547 1 0 EHAFLO CCC(=CC[N@@H+]1Cc2cc(Cl)cc3[nH]c(=O)n(c32)C[C@H]1C)CC ZINC000026951985 202150809 /nfs/dbraw/zinc/15/08/09/202150809.db2.gz WHTSSIODQOYDDM-GFCCVEGCSA-N 1 2 333.863 3.934 1 0 EHAFLO CCC(=CC[N@H+]1Cc2cc(Cl)cc3[nH]c(=O)n(c32)C[C@H]1C)CC ZINC000026951985 202150813 /nfs/dbraw/zinc/15/08/13/202150813.db2.gz WHTSSIODQOYDDM-GFCCVEGCSA-N 1 2 333.863 3.934 1 0 EHAFLO Oc1ccc(C2=C3C=CC4=CC=C[C@H]([C@@H]2CCc2ccccc2)[N@@H+]43)cc1 ZINC000026481779 202144080 /nfs/dbraw/zinc/14/40/80/202144080.db2.gz JPTLGQQTIHMDCX-FCHUYYIVSA-N 1 2 339.438 3.547 1 0 EHAFLO Cc1noc(C)c1CC[N@@H+]1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000020917093 202058176 /nfs/dbraw/zinc/05/81/76/202058176.db2.gz KLUUBMWYZSKGMG-KRWDZBQOSA-N 1 2 328.391 3.686 1 0 EHAFLO Cc1noc(C)c1CC[N@H+]1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000020917093 202058180 /nfs/dbraw/zinc/05/81/80/202058180.db2.gz KLUUBMWYZSKGMG-KRWDZBQOSA-N 1 2 328.391 3.686 1 0 EHAFLO O=C([C@H]1CS[C@@H](c2cccnc2)[NH2+]1)n1ccc2c1cccc2Cl ZINC000026162897 202140414 /nfs/dbraw/zinc/14/04/14/202140414.db2.gz HRZRCKXBQCMKEH-ZBFHGGJFSA-N 1 2 343.839 3.734 1 0 EHAFLO COc1cc2nncc(-c3ccc(N(C)C(C)C)[nH+]c3)c2cc1OC ZINC000073295693 203263288 /nfs/dbraw/zinc/26/32/88/203263288.db2.gz SMECEYNWJHKOJR-UHFFFAOYSA-N 1 2 338.411 3.554 1 0 EHAFLO CC(C)=CC[N@H+]1Cc2cc(Cl)cc3[nH]c(=NC#N)n(c32)C[C@H]1C ZINC000026960739 202150085 /nfs/dbraw/zinc/15/00/85/202150085.db2.gz IKVFAKQWGKMLDP-GFCCVEGCSA-N 1 2 329.835 3.753 1 0 EHAFLO CC(C)=CC[N@@H+]1Cc2cc(Cl)cc3[nH]c(=NC#N)n(c32)C[C@H]1C ZINC000026960739 202150088 /nfs/dbraw/zinc/15/00/88/202150088.db2.gz IKVFAKQWGKMLDP-GFCCVEGCSA-N 1 2 329.835 3.753 1 0 EHAFLO CC(C)=CC[N@H+]1Cc2cc(Cl)cc3nc(NC#N)n(c32)C[C@H]1C ZINC000026960739 202150092 /nfs/dbraw/zinc/15/00/92/202150092.db2.gz IKVFAKQWGKMLDP-GFCCVEGCSA-N 1 2 329.835 3.753 1 0 EHAFLO CC(C)=CC[N@@H+]1Cc2cc(Cl)cc3nc(NC#N)n(c32)C[C@H]1C ZINC000026960739 202150095 /nfs/dbraw/zinc/15/00/95/202150095.db2.gz IKVFAKQWGKMLDP-GFCCVEGCSA-N 1 2 329.835 3.753 1 0 EHAFLO CCC[NH+](CCC)CCc1c2sc(=O)[nH]c2c(O)cc1Cl ZINC000034072615 202272590 /nfs/dbraw/zinc/27/25/90/202272590.db2.gz YNXHEGXICHZWJT-UHFFFAOYSA-N 1 2 328.865 3.613 1 0 EHAFLO COC(C[N@H+](C)Cc1coc(-c2ccc(Cl)cc2Cl)n1)OC ZINC000072181836 203181887 /nfs/dbraw/zinc/18/18/87/203181887.db2.gz HDUXRQRLGCRBTP-UHFFFAOYSA-N 1 2 345.226 3.699 1 0 EHAFLO COC(C[N@@H+](C)Cc1coc(-c2ccc(Cl)cc2Cl)n1)OC ZINC000072181836 203181891 /nfs/dbraw/zinc/18/18/91/203181891.db2.gz HDUXRQRLGCRBTP-UHFFFAOYSA-N 1 2 345.226 3.699 1 0 EHAFLO COc1cc2nncc(-c3ccc(NCC4CC4)[nH+]c3)c2cc1OC ZINC000073310896 203262916 /nfs/dbraw/zinc/26/29/16/203262916.db2.gz UPRKNLAMELENOC-UHFFFAOYSA-N 1 2 336.395 3.531 1 0 EHAFLO CC(=O)C[C@H]1c2ccccc2[NH+]=C(n2cncn2)N1c1cccc(C)c1 ZINC000103176734 204065250 /nfs/dbraw/zinc/06/52/50/204065250.db2.gz MWGXAQNORNQJLH-IBGZPJMESA-N 1 2 345.406 3.663 1 0 EHAFLO C[N@H+]1CC=C(c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000025989396 202137676 /nfs/dbraw/zinc/13/76/76/202137676.db2.gz DFVGFKOVGWBMFZ-UHFFFAOYSA-N 1 2 349.386 3.590 1 0 EHAFLO C[N@@H+]1CC=C(c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000025989396 202137678 /nfs/dbraw/zinc/13/76/78/202137678.db2.gz DFVGFKOVGWBMFZ-UHFFFAOYSA-N 1 2 349.386 3.590 1 0 EHAFLO Cc1ccc(Nc2c[nH+]ccc2NS(=O)(=O)C(F)(F)F)cc1C ZINC000103266646 204070844 /nfs/dbraw/zinc/07/08/44/204070844.db2.gz WXXURXCYKRMJTM-UHFFFAOYSA-N 1 2 345.346 3.704 1 0 EHAFLO Oc1ccc2nc(C[NH+]3CCC(Cc4ccc([18F])cc4)CC3)[nH]c2c1 ZINC000101910313 219171157 /nfs/dbraw/zinc/17/11/57/219171157.db2.gz PAFKHYPPLMSWPU-GJQNQZCXSA-N 1 2 338.417 3.862 1 0 EHAFLO COc1ccc2c(c1)oc(=O)cc2[C@H](c1ccccc1)n1cc[nH+]c1 ZINC000066113223 215014688 /nfs/dbraw/zinc/01/46/88/215014688.db2.gz KGQBLIWKILTMQP-FQEVSTJZSA-N 1 2 332.359 3.636 1 0 EHAFLO CCCc1[nH+]c2ccc(C(=O)OC)cn2c1Cc1cccc(F)c1 ZINC000072135089 216023380 /nfs/dbraw/zinc/02/33/80/216023380.db2.gz QNLCZCFKBFLBPO-UHFFFAOYSA-N 1 2 326.371 3.803 3 0 EHAFLO COc1cc2nncc(-c3ccc(NCC(C)C)[nH+]c3)c2cc1OC ZINC000073295695 216374374 /nfs/dbraw/zinc/37/43/74/216374374.db2.gz LTMJGZYFVKSSHK-UHFFFAOYSA-N 1 2 338.411 3.777 1 0 EHAFLO CCN1CC[NH+](Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1 ZINC000020900171 212185079 /nfs/dbraw/zinc/18/50/79/212185079.db2.gz CZDJAOWKZQKIOG-UHFFFAOYSA-N 1 2 344.484 3.530 3 0 EHAFLO CC(C)(C)n1nc(Cc2cc(Cl)ccc2F)c2c1nc[nH+]c2N ZINC000095584373 218440727 /nfs/dbraw/zinc/44/07/27/218440727.db2.gz VCZGGLWJIRASQR-UHFFFAOYSA-N 1 2 333.798 3.547 1 0 EHAFLO COc1nc2cccnc2n1-c1ccc(Nc2ccc(C)c[nH+]2)cc1 ZINC000098208191 219087661 /nfs/dbraw/zinc/08/76/61/219087661.db2.gz ZAIBUTICQXDSIC-UHFFFAOYSA-N 1 2 331.379 3.876 1 0 in-vitro EHAFLO CC(C)CCn1c2ccccc2[nH+]c1Cn1c2ccccc2[nH]c1=O ZINC000038142852 213202421 /nfs/dbraw/zinc/20/24/21/213202421.db2.gz BJNUQHPOWZAQPO-UHFFFAOYSA-N 1 2 334.423 3.774 1 0 EHAFLO Cc1cccc(NC(=S)c2c3n(c(=O)c4ccccc42)CC[NH2+]3)c1 ZINC000101578733 219142258 /nfs/dbraw/zinc/14/22/58/219142258.db2.gz KMSLONGITWRIMY-UHFFFAOYSA-N 1 2 335.432 3.523 1 0 EHAFLO CC(=O)C[C@@H]1c2ccccc2[NH+]=C(n2cncn2)N1c1cccc(C)c1 ZINC000103176732 219265737 /nfs/dbraw/zinc/26/57/37/219265737.db2.gz MWGXAQNORNQJLH-LJQANCHMSA-N 1 2 345.406 3.663 1 0 EHAFLO O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1C[NH+]1CCCC1 ZINC000049807727 214034687 /nfs/dbraw/zinc/03/46/87/214034687.db2.gz DYBCOZZMFLAVMC-UHFFFAOYSA-N 1 2 333.435 3.733 1 0 EHAFLO O=C(NC[C@H](c1ccc(F)cc1)n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000053229549 214171393 /nfs/dbraw/zinc/17/13/93/214171393.db2.gz CNWPTKQRIRDBPW-QGZVFWFLSA-N 1 2 349.365 3.788 1 0 EHAFLO C[C@H]1CCCCN1c1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000072134214 216023581 /nfs/dbraw/zinc/02/35/81/216023581.db2.gz WAFHVZXPHPIFBG-LBPRGKRZSA-N 1 2 327.819 3.848 1 0 EHAFLO CNc1cc2c(c[nH+]1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C ZINC000021289542 212217901 /nfs/dbraw/zinc/21/79/01/212217901.db2.gz MWTPPQWWCAVXIS-UHFFFAOYSA-N 1 2 334.206 3.949 1 0 EHAFLO S=c1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)ss1 ZINC000053244127 214172882 /nfs/dbraw/zinc/17/28/82/214172882.db2.gz SNIUUUNHZPMINJ-UHFFFAOYSA-N 1 2 339.507 3.917 1 0 EHAFLO CCCCc1nc2nncc-2c2[nH+]c(-c3ccc(Cl)cc3)[nH]n21 ZINC000003945778 210094639 /nfs/dbraw/zinc/09/46/39/210094639.db2.gz JNERZSAIKWMKMW-UHFFFAOYSA-N 1 2 326.791 3.664 1 0 EHAFLO CC(=O)N[C@@H]1[C@@H]2C=C(C)C[C@H]1c1c(N)c3ccc(Cl)cc3[nH+]c1C2 ZINC000036287152 213081965 /nfs/dbraw/zinc/08/19/65/213081965.db2.gz SRBWAIWJMGLCDO-CILWKZBWSA-N 1 2 341.842 3.581 1 0 EHAFLO O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000003956303 210095945 /nfs/dbraw/zinc/09/59/45/210095945.db2.gz AMNALICDKOPDJW-FQEVSTJZSA-N 1 2 337.423 3.573 1 0 EHAFLO CCC[N@@H+]1COC[C@@H](Oc2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000040424944 213302719 /nfs/dbraw/zinc/30/27/19/213302719.db2.gz VHZIMDRPZJLEQU-WOJBJXKFSA-N 1 2 327.424 3.884 1 0 EHAFLO CCC[N@H+]1COC[C@@H](Oc2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000040424944 213302722 /nfs/dbraw/zinc/30/27/22/213302722.db2.gz VHZIMDRPZJLEQU-WOJBJXKFSA-N 1 2 327.424 3.884 1 0 EHAFLO C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(C)(C)C)CC2)CCN1c1cccc[nH+]1 ZINC000101685446 219155740 /nfs/dbraw/zinc/15/57/40/219155740.db2.gz CZZLAXLHICNUBR-KURKYZTESA-N 1 2 343.515 3.971 1 0 EHAFLO Cc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1cc[nH+]c1 ZINC000040429952 213302832 /nfs/dbraw/zinc/30/28/32/213302832.db2.gz IYLACPJLCQDSFP-UHFFFAOYSA-N 1 2 337.814 3.822 1 0 in-vivo EHAFLO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000020917089 212188639 /nfs/dbraw/zinc/18/86/39/212188639.db2.gz KLUUBMWYZSKGMG-QGZVFWFLSA-N 1 2 328.391 3.686 1 0 EHAFLO Cc1noc(C)c1CC[N@H+]1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000020917089 212188642 /nfs/dbraw/zinc/18/86/42/212188642.db2.gz KLUUBMWYZSKGMG-QGZVFWFLSA-N 1 2 328.391 3.686 1 0 EHAFLO CCCCc1nc2nncc-2c2[nH+]c(-c3ccc(CCC)cc3)[nH]n21 ZINC000027209696 212548361 /nfs/dbraw/zinc/54/83/61/212548361.db2.gz MTVNWEBRILZLFJ-UHFFFAOYSA-N 1 2 334.427 3.963 1 0 EHAFLO COCC[NH+](CCOC)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072101299 216008617 /nfs/dbraw/zinc/00/86/17/216008617.db2.gz JRCDHKSQKFAZSH-UHFFFAOYSA-N 1 2 346.471 3.734 1 0 EHAFLO O=C(NC[C@@H](c1ccc(F)cc1)n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000053229547 214171756 /nfs/dbraw/zinc/17/17/56/214171756.db2.gz CNWPTKQRIRDBPW-KRWDZBQOSA-N 1 2 349.365 3.788 1 0 EHAFLO O=C(COc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(Cl)c1 ZINC000003422435 210034092 /nfs/dbraw/zinc/03/40/92/210034092.db2.gz APPFQFOFMNCGGA-UHFFFAOYSA-N 1 2 327.771 3.543 3 0 EHAFLO Cc1cc(C)cc(Nc2c[nH+]ccc2NS(=O)(=O)C(F)(F)F)c1 ZINC000103266642 219279478 /nfs/dbraw/zinc/27/94/78/219279478.db2.gz ZSJUWFAOKZZZMO-UHFFFAOYSA-N 1 2 345.346 3.704 1 0 EHAFLO Cc1cc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)[nH+]c2cc1C ZINC000040412658 213300146 /nfs/dbraw/zinc/30/01/46/213300146.db2.gz RDJJUXMRGNTCEE-UHFFFAOYSA-N 1 2 347.418 3.846 1 0 EHAFLO Cc1nnc(C2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc(C)cc1 ZINC000072122745 216015049 /nfs/dbraw/zinc/01/50/49/216015049.db2.gz KFELQHRSEJMEEJ-UHFFFAOYSA-N 1 2 347.466 3.722 1 0 EHAFLO COc1ccc2c(c1)oc(=O)cc2[C@@H](c1ccccc1)n1cc[nH+]c1 ZINC000066113220 215014524 /nfs/dbraw/zinc/01/45/24/215014524.db2.gz KGQBLIWKILTMQP-HXUWFJFHSA-N 1 2 332.359 3.636 1 0 EHAFLO Cc1cc(NC(=O)c2ccc3nc(N4CCCC4)sc3c2)cc[nH+]1 ZINC000169303184 226239160 /nfs/dbraw/zinc/23/91/60/226239160.db2.gz GCCCDLMNPHCHCI-UHFFFAOYSA-N 1 2 338.436 3.852 1 0 EHAFLO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)C)n[nH]2)C1 ZINC000011664015 211231374 /nfs/dbraw/zinc/23/13/74/211231374.db2.gz PLAQKQHDPRQZQQ-AWEZNQCLSA-N 1 2 331.485 3.998 3 0 EHAFLO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)C)n[nH]2)C1 ZINC000011664015 211231369 /nfs/dbraw/zinc/23/13/69/211231369.db2.gz PLAQKQHDPRQZQQ-AWEZNQCLSA-N 1 2 331.485 3.998 3 0 EHAFLO CC[C@H](c1[nH]nc2c1C[N@@H+](Cc1ccccn1)CC2)c1ccccc1 ZINC000020869430 212179784 /nfs/dbraw/zinc/17/97/84/212179784.db2.gz NOEOGXQZOQLUKK-SFHVURJKSA-N 1 2 332.451 3.905 1 0 EHAFLO CC[C@H](c1n[nH]c2c1C[N@H+](Cc1ccccn1)CC2)c1ccccc1 ZINC000020869430 212179773 /nfs/dbraw/zinc/17/97/73/212179773.db2.gz NOEOGXQZOQLUKK-SFHVURJKSA-N 1 2 332.451 3.905 1 0 EHAFLO CC[C@H](c1n[nH]c2c1C[N@@H+](Cc1ccccn1)CC2)c1ccccc1 ZINC000020869430 212179776 /nfs/dbraw/zinc/17/97/76/212179776.db2.gz NOEOGXQZOQLUKK-SFHVURJKSA-N 1 2 332.451 3.905 1 0 EHAFLO CC[C@H](c1[nH]nc2c1C[N@H+](Cc1ccccn1)CC2)c1ccccc1 ZINC000020869430 212179780 /nfs/dbraw/zinc/17/97/80/212179780.db2.gz NOEOGXQZOQLUKK-SFHVURJKSA-N 1 2 332.451 3.905 1 0 EHAFLO C[C@@H]1CCCCN1c1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000072134213 216023760 /nfs/dbraw/zinc/02/37/60/216023760.db2.gz WAFHVZXPHPIFBG-GFCCVEGCSA-N 1 2 327.819 3.848 1 0 EHAFLO COc1cccc(-c2[nH]nc3c2C[N@H+](CCc2ccccc2)CC3)c1 ZINC000012306677 211340921 /nfs/dbraw/zinc/34/09/21/211340921.db2.gz BHYILAGCOGEINJ-UHFFFAOYSA-N 1 2 333.435 3.686 1 0 EHAFLO COc1cccc(-c2[nH]nc3c2C[N@@H+](CCc2ccccc2)CC3)c1 ZINC000012306677 211340925 /nfs/dbraw/zinc/34/09/25/211340925.db2.gz BHYILAGCOGEINJ-UHFFFAOYSA-N 1 2 333.435 3.686 1 0 EHAFLO Fc1ccccc1Nc1nc2c(-c3nnc[nH]3)cccc2n2c[nH+]cc12 ZINC000068248129 215293219 /nfs/dbraw/zinc/29/32/19/215293219.db2.gz DWRQBWXBAGAKJH-UHFFFAOYSA-N 1 2 345.341 3.550 1 0 EHAFLO CCc1[nH+]c2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 ZINC000072107708 216009551 /nfs/dbraw/zinc/00/95/51/216009551.db2.gz COQILBRZHVCERE-UHFFFAOYSA-N 1 2 339.345 3.767 1 0 EHAFLO CNC1=[NH+]c2ncccc2C(c2ccccc2)=N[C@H]1c1cccs1 ZINC000035876044 213050598 /nfs/dbraw/zinc/05/05/98/213050598.db2.gz KRBWMMUQSSQAQM-KRWDZBQOSA-N 1 2 332.432 3.985 1 0 EHAFLO COc1ccc2[nH]c(CCc3cc4c(cc3Cl)OCO4)[nH+]c2c1 ZINC000040379176 213293643 /nfs/dbraw/zinc/29/36/43/213293643.db2.gz XQSPJBNOQWTWFM-UHFFFAOYSA-N 1 2 330.771 3.739 1 0 EHAFLO COc1ccc(-c2oc3ccccc3c(=O)c2Cn2cc[nH+]c2)cc1 ZINC000036088211 213061907 /nfs/dbraw/zinc/06/19/07/213061907.db2.gz GMZSVBKZQWIFKJ-UHFFFAOYSA-N 1 2 332.359 3.713 1 0 in-vivo EHAFLO Cc1nc(C(=O)Nc2cc[nH+]c(C)c2)c(Nc2cccnc2)s1 ZINC000035978532 213052744 /nfs/dbraw/zinc/05/27/44/213052744.db2.gz XBOMZYPAUTYJQT-UHFFFAOYSA-N 1 2 325.397 3.546 1 0 EHAFLO CC[C@@H](c1n[nH]c2c1C[N@@H+](Cc1ccccn1)CC2)c1ccccc1 ZINC000020869434 212179554 /nfs/dbraw/zinc/17/95/54/212179554.db2.gz NOEOGXQZOQLUKK-GOSISDBHSA-N 1 2 332.451 3.905 1 0 EHAFLO CC[C@@H](c1[nH]nc2c1C[N@H+](Cc1ccccn1)CC2)c1ccccc1 ZINC000020869434 212179557 /nfs/dbraw/zinc/17/95/57/212179557.db2.gz NOEOGXQZOQLUKK-GOSISDBHSA-N 1 2 332.451 3.905 1 0 EHAFLO CC[C@@H](c1[nH]nc2c1C[N@@H+](Cc1ccccn1)CC2)c1ccccc1 ZINC000020869434 212179563 /nfs/dbraw/zinc/17/95/63/212179563.db2.gz NOEOGXQZOQLUKK-GOSISDBHSA-N 1 2 332.451 3.905 1 0 EHAFLO CC[C@@H](c1n[nH]c2c1C[N@H+](Cc1ccccn1)CC2)c1ccccc1 ZINC000020869434 212179550 /nfs/dbraw/zinc/17/95/50/212179550.db2.gz NOEOGXQZOQLUKK-GOSISDBHSA-N 1 2 332.451 3.905 1 0 EHAFLO Cc1ccc(C)n2nc(CCc3[nH+]c(-c4ccccc4)cn3C)nc12 ZINC000095572887 218438795 /nfs/dbraw/zinc/43/87/95/218438795.db2.gz AZOOBRKWMCUHJL-UHFFFAOYSA-N 1 2 331.423 3.532 1 0 EHAFLO Cc1c[nH+]ccc1NC(=O)c1ccc2nc(N3CCCC3)sc2c1 ZINC000169302620 534712205 /nfs/dbraw/zinc/71/22/05/534712205.db2.gz BRUMTLVUMKJUKF-UHFFFAOYSA-N 1 2 338.436 3.852 1 0 EHAFLO COc1ccc2[nH+]c(NCc3cc4c(cc3Cl)OCO4)[nH]c2c1 ZINC000040897130 213398691 /nfs/dbraw/zinc/39/86/91/213398691.db2.gz KSNHCWSTMZZPQQ-UHFFFAOYSA-N 1 2 331.759 3.566 1 0 EHAFLO Nc1[nH+]cnc2c1N=C1c3ccccc3CC[C@H]1[C@H](c1ccccc1)N2 ZINC000053242837 214172771 /nfs/dbraw/zinc/17/27/71/214172771.db2.gz KTCUKQPCSWLKFE-IRXDYDNUSA-N 1 2 341.418 3.909 1 0 EHAFLO O=C(N[C@@H]1CC[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1)c1ccccc1 ZINC000039246756 213232728 /nfs/dbraw/zinc/23/27/28/213232728.db2.gz WVDVFQKXRHFYJK-UZLBHIALSA-N 1 2 345.446 3.660 1 0 EHAFLO O=C(N[C@@H]1CC[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1)c1ccccc1 ZINC000039246756 213232730 /nfs/dbraw/zinc/23/27/30/213232730.db2.gz WVDVFQKXRHFYJK-UZLBHIALSA-N 1 2 345.446 3.660 1 0 EHAFLO Cc1ccc([C@H](C2Sc3ncnn3C2=O)[NH+]2CCC(C)CC2)cc1 ZINC000023643605 212387759 /nfs/dbraw/zinc/38/77/59/212387759.db2.gz MYZYVHYBPIOXCQ-OAHLLOKOSA-N 1 2 342.468 3.626 3 0 EHAFLO Nc1[nH+]cnc2c1N=C1c3ccccc3CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000053242839 214172729 /nfs/dbraw/zinc/17/27/29/214172729.db2.gz KTCUKQPCSWLKFE-IAGOWNOFSA-N 1 2 341.418 3.909 1 0 EHAFLO CS(=O)(=O)c1ccc(-n2c[nH+]cc2-c2ccc(Cl)cc2)cc1 ZINC000053312541 214176768 /nfs/dbraw/zinc/17/67/68/214176768.db2.gz WEGKESGAOAICLZ-UHFFFAOYSA-N 1 2 332.812 3.596 1 0 EHAFLO COc1ccc2cc(-c3nn(C(C)C)c4nc[nH+]c(N)c34)ccc2c1 ZINC000071294976 215756358 /nfs/dbraw/zinc/75/63/58/215756358.db2.gz YTSDNPLOCDVGNB-UHFFFAOYSA-N 1 2 333.395 3.818 1 0 in-vitro EHAFLO CS(=O)(=O)c1ccc(-c2c[nH+]cn2-c2ccc(Cl)cc2)cc1 ZINC000053295112 214175692 /nfs/dbraw/zinc/17/56/92/214175692.db2.gz XXCBRKVZHLUDEM-UHFFFAOYSA-N 1 2 332.812 3.596 1 0 EHAFLO CC[NH+](CC)[C@H](c1nnnn1C1CCCCC1)c1ccc(F)cc1 ZINC000004190583 210142763 /nfs/dbraw/zinc/14/27/63/210142763.db2.gz QJAPSJNDLPSYOR-KRWDZBQOSA-N 1 2 331.439 3.749 3 0 EHAFLO COC(C[N@H+](C)Cc1coc(-c2cccc3ccccc32)n1)OC ZINC000072182895 216067732 /nfs/dbraw/zinc/06/77/32/216067732.db2.gz SYYGTSGSAYEYPK-UHFFFAOYSA-N 1 2 326.396 3.546 1 0 EHAFLO COC(C[N@@H+](C)Cc1coc(-c2cccc3ccccc32)n1)OC ZINC000072182895 216067743 /nfs/dbraw/zinc/06/77/43/216067743.db2.gz SYYGTSGSAYEYPK-UHFFFAOYSA-N 1 2 326.396 3.546 1 0 EHAFLO Cc1cc(-c2ccc(F)cc2)c(/C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)[nH+]1 ZINC000036761404 213116897 /nfs/dbraw/zinc/11/68/97/213116897.db2.gz ANOPSFFNQJWFSF-PMKBXARWSA-N 1 2 341.382 3.584 1 0 EHAFLO COc1cc(-c2n[nH]c(Cc3ccccc3)n2)ccc1-n1c[nH+]c(C)c1 ZINC000072114156 216011695 /nfs/dbraw/zinc/01/16/95/216011695.db2.gz PNUXTMREMRZNCH-UHFFFAOYSA-N 1 2 345.406 3.565 1 0 EHAFLO C[C@@H]1CN(c2cccc[nH+]2)CCN1C(=O)[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC000101685352 219155728 /nfs/dbraw/zinc/15/57/28/219155728.db2.gz MJQFAEORXWJPGL-KURKYZTESA-N 1 2 343.515 3.971 1 0 EHAFLO Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)[nH+]c2c1 ZINC000040379912 213294331 /nfs/dbraw/zinc/29/43/31/213294331.db2.gz IRDOMFKPNLFWGW-UHFFFAOYSA-N 1 2 333.391 3.537 1 0 EHAFLO Cc1ccc2[nH+]c(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1 ZINC000040379912 213294333 /nfs/dbraw/zinc/29/43/33/213294333.db2.gz IRDOMFKPNLFWGW-UHFFFAOYSA-N 1 2 333.391 3.537 1 0 EHAFLO Cc1cn2cc(C(=O)N(C)C)c3c(c2[nH+]1)C[C@@H](c1ccccc1)CC3 ZINC000028871447 212641121 /nfs/dbraw/zinc/64/11/21/212641121.db2.gz CFMQLIXIGGMYGV-INIZCTEOSA-N 1 2 333.435 3.617 1 0 EHAFLO COc1ccc(-c2ccc3c(c2)C[N@@H+](CC(C)C)Cc2cnnn2-3)cc1 ZINC000072135682 216025200 /nfs/dbraw/zinc/02/52/00/216025200.db2.gz HWJDCACFWIGPOS-UHFFFAOYSA-N 1 2 348.450 3.915 3 0 EHAFLO COc1ccc(-c2ccc3c(c2)C[N@H+](CC(C)C)Cc2cnnn2-3)cc1 ZINC000072135682 216025203 /nfs/dbraw/zinc/02/52/03/216025203.db2.gz HWJDCACFWIGPOS-UHFFFAOYSA-N 1 2 348.450 3.915 3 0 EHAFLO Brc1ccc(-c2nc(C[NH2+]Cc3ccncc3)co2)cc1 ZINC000072183231 216067246 /nfs/dbraw/zinc/06/72/46/216067246.db2.gz KNYSJEZNRDKXTK-UHFFFAOYSA-N 1 2 344.212 3.789 1 0 EHAFLO Oc1ccc(C2=C3C=CC4=CC=C[C@H]([C@H]2CCc2ccccc2)[N@@H+]43)cc1 ZINC000026481793 581101575 /nfs/dbraw/zinc/10/15/75/581101575.db2.gz JPTLGQQTIHMDCX-FGZHOGPDSA-N 1 2 339.438 3.547 1 0 EHAFLO Oc1ccc(C2=C3C=CC4=CC=C[C@H]([C@H]2CCc2ccccc2)[N@H+]43)cc1 ZINC000026481793 581101576 /nfs/dbraw/zinc/10/15/76/581101576.db2.gz JPTLGQQTIHMDCX-FGZHOGPDSA-N 1 2 339.438 3.547 1 0 EHAFLO O=C(NC[C@H](c1ccccc1)n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000053229826 214171012 /nfs/dbraw/zinc/17/10/12/214171012.db2.gz IIVYMYBROOALQO-QGZVFWFLSA-N 1 2 331.375 3.649 1 0 EHAFLO Cc1cc2nc(C3CC3)n(-c3ccc4c(N)nc(N)[nH+]c4c3)c2cc1C ZINC000103247282 219274907 /nfs/dbraw/zinc/27/49/07/219274907.db2.gz NLGVJNCEKIIFQO-UHFFFAOYSA-N 1 2 344.422 3.627 1 0 EHAFLO C[C@@H]1Nc2ccc([NH+]3CCCCC3)cc2C(=O)N1c1ccc(O)cc1 ZINC000072111346 216010549 /nfs/dbraw/zinc/01/05/49/216010549.db2.gz RBUDXVKWNZFZBY-CQSZACIVSA-N 1 2 337.423 3.801 1 0 EHAFLO O=C(NC[C@@H](c1ccccc1)n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000053229829 214170802 /nfs/dbraw/zinc/17/08/02/214170802.db2.gz IIVYMYBROOALQO-KRWDZBQOSA-N 1 2 331.375 3.649 1 0 EHAFLO Nc1[nH+]cnc2c1N=C1c3ccccc3CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000053242835 214171947 /nfs/dbraw/zinc/17/19/47/214171947.db2.gz KTCUKQPCSWLKFE-DLBZAZTESA-N 1 2 341.418 3.909 1 0 EHAFLO Fc1ccc(-c2[nH]c(C[NH+]3CCOCC3)cc2-c2ccncc2)cc1 ZINC000036161023 213074359 /nfs/dbraw/zinc/07/43/59/213074359.db2.gz HMVNCHWQDHYUQP-UHFFFAOYSA-N 1 2 337.398 3.715 1 0 EHAFLO [NH2+]=C(Nc1ccc2c(c1)N(C1CCOCC1)CC2)c1cccs1 ZINC000073403468 216383675 /nfs/dbraw/zinc/38/36/75/216383675.db2.gz ALFFEMXVJSGMTD-UHFFFAOYSA-N 1 2 327.453 3.727 1 0 EHAFLO Cc1nc(-c2ccc(C[N@H+](C)Cc3ccsc3)cc2)[nH]c(=O)c1F ZINC000020363812 212122299 /nfs/dbraw/zinc/12/22/99/212122299.db2.gz SYKRJRBQNOKWEH-UHFFFAOYSA-N 1 2 343.427 3.990 1 0 EHAFLO Cc1nc(-c2ccc(C[N@@H+](C)Cc3ccsc3)cc2)[nH]c(=O)c1F ZINC000020363812 212122301 /nfs/dbraw/zinc/12/23/01/212122301.db2.gz SYKRJRBQNOKWEH-UHFFFAOYSA-N 1 2 343.427 3.990 1 0 EHAFLO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)n[nH]2)C1 ZINC000011664014 211232335 /nfs/dbraw/zinc/23/23/35/211232335.db2.gz PLAQKQHDPRQZQQ-CQSZACIVSA-N 1 2 331.485 3.998 3 0 EHAFLO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)C)n[nH]2)C1 ZINC000011664014 211232340 /nfs/dbraw/zinc/23/23/40/211232340.db2.gz PLAQKQHDPRQZQQ-CQSZACIVSA-N 1 2 331.485 3.998 3 0 EHAFLO FC(F)(F)c1ccccc1-c1cncnc1NCCc1c[nH]c[nH+]1 ZINC000004239470 210149493 /nfs/dbraw/zinc/14/94/93/210149493.db2.gz NTSULYAGONAQME-UHFFFAOYSA-N 1 2 333.317 3.540 1 0 EHAFLO FC(F)(F)c1ccccc1-c1cncnc1NCCc1c[nH+]c[nH]1 ZINC000004239470 210149497 /nfs/dbraw/zinc/14/94/97/210149497.db2.gz NTSULYAGONAQME-UHFFFAOYSA-N 1 2 333.317 3.540 1 0 EHAFLO Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cc[nH+]1 ZINC000103183460 219266567 /nfs/dbraw/zinc/26/65/67/219266567.db2.gz CFGXRYRALDWWCT-UHFFFAOYSA-N 1 2 346.312 3.847 1 0 EHAFLO Clc1ccc([C@H]2[NH+]=C(N3CCOCC3)Cc3ccccc32)cc1 ZINC000026576965 212526370 /nfs/dbraw/zinc/52/63/70/212526370.db2.gz KDGBKKGFBMKPGW-LJQANCHMSA-N 1 2 326.827 3.716 1 0 EHAFLO O=C([C@@H]1CS[C@@H](c2cccnc2)[NH2+]1)n1ccc2ccc(Cl)cc21 ZINC000013737433 211627101 /nfs/dbraw/zinc/62/71/01/211627101.db2.gz AZRSJQNXHUUSTF-HOCLYGCPSA-N 1 2 343.839 3.734 1 0 EHAFLO Cc1nnc(C2CCN(c3cccc[nH+]3)CC2)n1Cc1cccc(C)c1 ZINC000038695414 132397313 /nfs/dbraw/zinc/39/73/13/132397313.db2.gz CAWWYHJBQQRDKJ-UHFFFAOYSA-N 1 2 347.466 3.722 1 0 EHAFLO CC[NH+](CC)[C@H](c1nnnn1C1CCCCC1)c1ccc(C)cc1 ZINC000004190424 210142353 /nfs/dbraw/zinc/14/23/53/210142353.db2.gz WHBCKNRIOQTWJG-SFHVURJKSA-N 1 2 327.476 3.918 3 0 EHAFLO CNC1=[NH+]c2ncccc2C(c2ccccc2)=N[C@@H]1c1cccs1 ZINC000035876043 213050407 /nfs/dbraw/zinc/05/04/07/213050407.db2.gz KRBWMMUQSSQAQM-QGZVFWFLSA-N 1 2 332.432 3.985 1 0 EHAFLO COc1cc(-c2nnc(Cc3ccccc3)o2)ccc1-n1c[nH+]c(C)c1 ZINC000072113349 216011634 /nfs/dbraw/zinc/01/16/34/216011634.db2.gz HZONFCQWZKNULG-UHFFFAOYSA-N 1 2 346.390 3.830 1 0 EHAFLO Cc1ccc(NC(=S)c2c3n(c(=O)c4ccccc42)CC[NH2+]3)cc1 ZINC000101547868 219133594 /nfs/dbraw/zinc/13/35/94/219133594.db2.gz INZFIPMMHIVDNB-UHFFFAOYSA-N 1 2 335.432 3.523 1 0 EHAFLO CC[NH+](CC)[C@@H](c1nnnn1C1CCCCC1)c1ccc(C)cc1 ZINC000004190425 210142703 /nfs/dbraw/zinc/14/27/03/210142703.db2.gz WHBCKNRIOQTWJG-GOSISDBHSA-N 1 2 327.476 3.918 3 0 EHAFLO CS(=O)(=O)c1ccc(-c2c[nH+]cn2-c2cccc(Cl)c2)cc1 ZINC000053297680 214175033 /nfs/dbraw/zinc/17/50/33/214175033.db2.gz OFWWYAFRQITXKN-UHFFFAOYSA-N 1 2 332.812 3.596 1 0 EHAFLO CC[NH+](CC)[C@@H](c1nnnn1C1CCCCC1)c1ccc(F)cc1 ZINC000004190589 210142663 /nfs/dbraw/zinc/14/26/63/210142663.db2.gz QJAPSJNDLPSYOR-QGZVFWFLSA-N 1 2 331.439 3.749 3 0 EHAFLO Cc1nnc(C2CCN(c3cccc[nH+]3)CC2)n1-c1ccccc1C ZINC000072123071 216014537 /nfs/dbraw/zinc/01/45/37/216014537.db2.gz WKPUTGWASCNKOY-UHFFFAOYSA-N 1 2 333.439 3.663 1 0 EHAFLO CCCS(=O)(=O)Nc1cc(-c2cn3cccc(C)c3[nH+]2)ccc1C ZINC000006748117 210701102 /nfs/dbraw/zinc/70/11/02/210701102.db2.gz JQBTWFDEZMOYIR-UHFFFAOYSA-N 1 2 343.452 3.770 1 0 EHAFLO COc1cc2c(ccn2-c2ccc([NH+](C)C)cc2)c(OC)c1OC ZINC000072113141 216011165 /nfs/dbraw/zinc/01/11/65/216011165.db2.gz RJSVMADFJNMPNG-UHFFFAOYSA-N 1 2 326.396 3.722 1 0 EHAFLO O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)[NH2+][C@H]3CCCC[C@@H]3N12 ZINC000001862002 209800289 /nfs/dbraw/zinc/80/02/89/209800289.db2.gz MXXCXERMDNXHFJ-BJLQDIEVSA-N 1 2 338.838 3.911 1 0 EHAFLO COc1cc2nncc(-c3ccc(NC4CCC4)[nH+]c3)c2cc1OC ZINC000073310246 216377320 /nfs/dbraw/zinc/37/73/20/216377320.db2.gz ZYYDVAISQSWNEJ-UHFFFAOYSA-N 1 2 336.395 3.673 1 0 EHAFLO Cn1c2cc(Cl)c(Cl)cc2nc1SCCn1cc[nH+]c1 ZINC000096924263 218899954 /nfs/dbraw/zinc/89/99/54/218899954.db2.gz WAQBPDFBWBQSIT-UHFFFAOYSA-N 1 2 327.240 3.869 1 0 EHAFLO Oc1ccc(C2=C3C=CC4=CC=C[C@@H]([C@H]2CCc2ccccc2)[N@@H+]43)cc1 ZINC000026481786 581101513 /nfs/dbraw/zinc/10/15/13/581101513.db2.gz JPTLGQQTIHMDCX-YADHBBJMSA-N 1 2 339.438 3.547 1 0 EHAFLO Oc1ccc(C2=C3C=CC4=CC=C[C@@H]([C@H]2CCc2ccccc2)[N@H+]43)cc1 ZINC000026481786 581101514 /nfs/dbraw/zinc/10/15/14/581101514.db2.gz JPTLGQQTIHMDCX-YADHBBJMSA-N 1 2 339.438 3.547 1 0 EHAFLO C[C@@H]1Nc2ccc([NH+]3CCCCC3)cc2C(=O)N1c1cccc(O)c1 ZINC000072113390 216011806 /nfs/dbraw/zinc/01/18/06/216011806.db2.gz BRQYKMOQBRVSGU-CQSZACIVSA-N 1 2 337.423 3.801 1 0 EHAFLO Cc1c2cc(C)ccc2oc1C(=O)N(Cc1[nH+]ccn1C)C(C)C ZINC000011936194 211271867 /nfs/dbraw/zinc/27/18/67/211271867.db2.gz ASDUUJDGQVTSAJ-UHFFFAOYSA-N 1 2 325.412 3.834 3 0 EHAFLO O=C1CC[N@@H+]([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc32)C1 ZINC000003981725 210096985 /nfs/dbraw/zinc/09/69/85/210096985.db2.gz OCJAMRRVVABJIC-FGZHOGPDSA-N 1 2 337.463 3.985 1 0 EHAFLO O=C1CC[N@H+]([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc32)C1 ZINC000003981725 210096990 /nfs/dbraw/zinc/09/69/90/210096990.db2.gz OCJAMRRVVABJIC-FGZHOGPDSA-N 1 2 337.463 3.985 1 0 EHAFLO C[C@H]1Nc2ccc([NH+]3CCCCC3)cc2C(=O)N1c1ccc(O)cc1 ZINC000072111347 216010265 /nfs/dbraw/zinc/01/02/65/216010265.db2.gz RBUDXVKWNZFZBY-AWEZNQCLSA-N 1 2 337.423 3.801 1 0 EHAFLO O=C(C[NH+]1CCCCC1)NN1c2ccccc2Sc2ccccc21 ZINC000073195989 216361999 /nfs/dbraw/zinc/36/19/99/216361999.db2.gz ALVVXSSFOOYRDP-UHFFFAOYSA-N 1 2 339.464 3.806 1 0 in-vitro EHAFLO O=C(c1cc2ccccc2o1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000040409360 213299839 /nfs/dbraw/zinc/29/98/39/213299839.db2.gz DWLIFZXOELFYNR-UHFFFAOYSA-N 1 2 338.382 3.530 1 0 EHAFLO Cc1ccc(-c2nc3ccc(NC(=O)C[NH+]4CCCCC4)cc3[nH]2)cc1 ZINC000072108795 216010869 /nfs/dbraw/zinc/01/08/69/216010869.db2.gz KTZOASDZBUOXAH-UHFFFAOYSA-N 1 2 348.450 3.963 1 0 EHAFLO COC(=O)c1ccc2c(c1)c1c(n2CCCn2cc[nH+]c2)CCCC1 ZINC000073196772 216362277 /nfs/dbraw/zinc/36/22/77/216362277.db2.gz FIYQMRUTYABPBV-UHFFFAOYSA-N 1 2 337.423 3.594 1 0 EHAFLO