smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(C)n(-c3ccc(OCCC[NH+]4CCCC4)cc3)c(=O)c2c1 ZINC000035996675 205001497 /nfs/dbraw/zinc/00/14/97/205001497.db2.gz WZRDTUYSOKIWCB-UHFFFAOYSA-N 1 0 377.488 3.867 1 0 GHAFRO O=C(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000036289053 205010974 /nfs/dbraw/zinc/01/09/74/205010974.db2.gz HCDKOXNCGOEUPF-QFBILLFUSA-N 1 0 390.487 3.967 1 0 GHAFRO CO[C@H](C[NH+](C)C)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 ZINC000040640610 205066765 /nfs/dbraw/zinc/06/67/65/205066765.db2.gz HAWUWBPMTKIYMJ-GOSISDBHSA-N 1 0 395.894 3.521 1 0 GHAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C1 ZINC000040786637 205072029 /nfs/dbraw/zinc/07/20/29/205072029.db2.gz MJJDLIGQJLCAOV-IXDOHACOSA-N 1 0 399.922 3.681 1 0 GHAFRO Cc1cc(Cl)ccc1-c1cc2nc(NCCC[NH+](C)C)n(C)c(=O)c2s1 ZINC000061905211 205182907 /nfs/dbraw/zinc/18/29/07/205182907.db2.gz QRQARPFCELYWPL-UHFFFAOYSA-N 1 0 390.940 3.987 3 0 GHAFRO O=C(c1c2cccnc2n(-c2ccccc2)c1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000072181161 205317421 /nfs/dbraw/zinc/31/74/21/205317421.db2.gz DAIXTEOAJVXVHZ-UHFFFAOYSA-N 1 0 396.494 3.662 1 0 GHAFRO CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc([C@H]3CC[NH2+]C3)ccc1-2 ZINC000096269666 205554919 /nfs/dbraw/zinc/55/49/19/205554919.db2.gz JJUMGKJXPWZXAO-AWEZNQCLSA-N 1 0 381.505 3.661 1 0 GHAFRO CCn1cnc2c1nc(N[C@H]1CC[C@H]([NH3+])CC1)nc2Nc1cccc(Cl)c1 ZINC000100821333 205614431 /nfs/dbraw/zinc/61/44/31/205614431.db2.gz IKKPOUJRFXLTCL-OKILXGFUSA-N 1 0 385.903 3.925 1 0 GHAFRO O=C(OCCF)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C\Br)c1)[NH2+]2 ZINC000169365926 205831920 /nfs/dbraw/zinc/83/19/20/205831920.db2.gz SPQWIGAZLYFACO-GCUJNJAQSA-N 1 0 382.273 3.789 1 0 GHAFRO CN(C(=O)Cc1cccc2occc21)[C@H]1CC[C@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000005965810 204160133 /nfs/dbraw/zinc/16/01/33/204160133.db2.gz JMBYBVLCYODBJQ-AWRGLXIESA-N 1 0 396.531 4.000 1 0 GHAFRO C[NH2+]C[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(Br)ccc21 ZINC000038252682 205036371 /nfs/dbraw/zinc/03/63/71/205036371.db2.gz VWWGPYFAWGEBAY-MSOLQXFVSA-N 1 0 377.257 3.713 1 0 GHAFRO CN1CCN(C(=O)c2ccc(COc3cccc(Cl)c3)c(Cl)c2)CC1 ZINC000040934826 205075784 /nfs/dbraw/zinc/07/57/84/205075784.db2.gz LMXYGGPHAWNFLH-UHFFFAOYSA-N 1 0 379.287 3.960 1 0 GHAFRO Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000040934231 205076088 /nfs/dbraw/zinc/07/60/88/205076088.db2.gz GTXKLRFKMWCBRL-UHFFFAOYSA-N 1 0 381.451 3.698 1 0 GHAFRO O=S(=O)(c1cn([C@@H]2CC[NH2+]C2)c2cc(Cl)ccc12)c1cccc(F)c1 ZINC000049033187 205125283 /nfs/dbraw/zinc/12/52/83/205125283.db2.gz AFTKXLGGILZMHW-CQSZACIVSA-N 1 0 378.856 3.801 1 0 GHAFRO CS(=O)(=O)c1ccc(Nc2nc([C@H]([NH3+])c3ccccc3Cl)cs2)cc1 ZINC000061906102 205183609 /nfs/dbraw/zinc/18/36/09/205183609.db2.gz GWZRINFVSRSSOK-MRXNPFEDSA-N 1 0 393.921 3.992 3 0 GHAFRO CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000072142860 205308398 /nfs/dbraw/zinc/30/83/98/205308398.db2.gz ZTURMKJQUKHIJK-NRFANRHFSA-N 1 0 379.460 3.502 1 0 GHAFRO CC(C)[C@H](CO)[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072185109 205317544 /nfs/dbraw/zinc/31/75/44/205317544.db2.gz PQCPJVRAIZRTDD-FCHUYYIVSA-N 1 0 387.955 3.895 1 0 GHAFRO CC[C@H]([NH3+])COc1cncc(-c2ccc3[nH]cc(-c4ccc(N)nc4F)c3c2)n1 ZINC000073195558 205355121 /nfs/dbraw/zinc/35/51/21/205355121.db2.gz LRPRLJQIQKVLEA-ZDUSSCGKSA-N 1 0 392.438 3.524 1 0 GHAFRO [NH3+][C@H]1C[C@@H](n2cc3cnc(C4CC4)nc3c2)CO[C@@H]1c1cc(F)c(F)cc1F ZINC000096935086 205578827 /nfs/dbraw/zinc/57/88/27/205578827.db2.gz JHKIZAUXJSBIHB-JLBUNGTFSA-N 1 0 388.393 3.756 1 0 GHAFRO COc1ccc(C[C@@H]2CC[C@@H](Cc3ccc(OC)c(OC)c3)C2[NH3+])cc1OC ZINC000169326533 205827626 /nfs/dbraw/zinc/82/76/26/205827626.db2.gz HSGZPLURBUONQI-ROUUACIJSA-N 1 0 385.504 3.860 1 0 GHAFRO Cc1cc2ccc(OCCC[NH+]3CCN(c4ccccc4)CC3)cc2oc1=O ZINC000027181338 581092241 /nfs/dbraw/zinc/09/22/41/581092241.db2.gz GKYBNMJPQSRWPC-UHFFFAOYSA-N 1 0 378.472 3.693 1 0 GHAFRO Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1ccc(C[NH2+]Cc3ccccn3)cc1-2 ZINC000049113856 581093613 /nfs/dbraw/zinc/09/36/13/581093613.db2.gz RRFVLQBVGAHGSD-UHFFFAOYSA-N 1 0 393.450 3.622 1 0 GHAFRO C[C@H]1C[C@H](C)C[NH+]([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000006809604 204210966 /nfs/dbraw/zinc/21/09/66/204210966.db2.gz QJBYDMMGFHPXAQ-STEAMIEHSA-N 1 0 384.973 3.907 1 0 GHAFRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4cnco4)cc3)cc2)C1 ZINC000028122778 204866963 /nfs/dbraw/zinc/86/69/63/204866963.db2.gz PWDIPKVAEZYAIB-HXUWFJFHSA-N 1 0 376.460 3.734 1 0 GHAFRO CCc1c(N[C@H]2CCC[NH2+]C2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 ZINC000038836337 205040036 /nfs/dbraw/zinc/04/00/36/205040036.db2.gz JABUMBYVIQWISU-ZDUSSCGKSA-N 1 0 388.878 3.992 1 0 GHAFRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](C1(c3ccccc3)CCOCC1)CC2 ZINC000038147598 205035320 /nfs/dbraw/zinc/03/53/20/205035320.db2.gz UQZKADKVZVDMTP-JOCHJYFZSA-N 1 0 390.527 3.688 1 0 GHAFRO O=S(=O)(c1cccc(C(F)(F)F)c1)n1c2ccccc2c2c1CC[NH2+]CC2 ZINC000040420977 205066297 /nfs/dbraw/zinc/06/62/97/205066297.db2.gz CCAVKHAOUJAWHT-UHFFFAOYSA-N 1 0 394.418 3.585 1 0 GHAFRO COc1ccc2c(c1)sc1nc(C=C3Sc4ccccc4N3C)cc(C)[n+]21 ZINC000053669179 205138672 /nfs/dbraw/zinc/13/86/72/205138672.db2.gz VRFKNCBFEUXPCO-UHFFFAOYSA-N 1 0 392.529 3.515 1 0 GHAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000049792844 205130510 /nfs/dbraw/zinc/13/05/10/205130510.db2.gz UJKZFUPTYOOVQJ-DOTOQJQBSA-N 1 0 381.863 3.513 1 0 GHAFRO CC[NH+]1CCC(n2nc(Cc3cccc4ccccc43)c3c2ncnc3N)CC1 ZINC000071295519 205280508 /nfs/dbraw/zinc/28/05/08/205280508.db2.gz BSGWEWBSWAVORO-UHFFFAOYSA-N 1 0 386.503 3.809 1 0 GHAFRO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1 ZINC000072127611 205307022 /nfs/dbraw/zinc/30/70/22/205307022.db2.gz YVEZLENKSRCDCK-QGZVFWFLSA-N 1 0 381.520 3.579 1 0 GHAFRO CCOc1ccccc1C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000072179753 205317575 /nfs/dbraw/zinc/31/75/75/205317575.db2.gz QQURIRADMQBJKA-UHFFFAOYSA-N 1 0 387.568 3.544 1 0 GHAFRO Cn1c2ccc(S(=O)(=O)c3c[nH]c4ccccc43)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000073197888 205354601 /nfs/dbraw/zinc/35/46/01/205354601.db2.gz BESNZYMZQGHFDT-SCLBCKFNSA-N 1 0 391.496 3.842 1 0 GHAFRO C[N@@H+]1CCC[C@H](N2N[C@@H](Cc3ccc(Cl)cc3)c3cc(O)ccc3C2=O)CC1 ZINC000084422484 205393612 /nfs/dbraw/zinc/39/36/12/205393612.db2.gz PMYYPYVHWPSRJF-UWJYYQICSA-N 1 0 399.922 3.774 1 0 GHAFRO CC(=O)Nc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1 ZINC000084670564 205397649 /nfs/dbraw/zinc/39/76/49/205397649.db2.gz UBJXBDQGSWUCNT-UHFFFAOYSA-N 1 0 385.537 3.618 1 0 GHAFRO CN1CCN2c3c(cccc31)[C@@H]1C[N@@H+](CCCC(=O)c3ccccc3)CC[C@@H]12 ZINC000169309773 136197206 /nfs/dbraw/zinc/19/72/06/136197206.db2.gz KIOLUKGHLOUGFU-SFTDATJTSA-N 1 0 375.516 3.777 1 0 GHAFRO COc1ccc(-c2ccn(-c3ccc4c(c3)n(C)c3c4CC[NH2+]C3)c(=O)c2)c(C)c1 ZINC000064549638 222074097 /nfs/dbraw/zinc/07/40/97/222074097.db2.gz WRLNIDQDPQYFNC-UHFFFAOYSA-N 1 0 399.494 3.959 1 0 GHAFRO CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CCC[NH3+])c1ccccc1 ZINC000013976302 581097351 /nfs/dbraw/zinc/09/73/51/581097351.db2.gz RMNSTABIWGFSQE-QFIPXVFZSA-N 1 0 385.458 3.980 1 0 GHAFRO O=C1N(CC[NH+]2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1 ZINC000043060216 205081502 /nfs/dbraw/zinc/08/15/02/205081502.db2.gz AZORJLGCYRQCSX-UHFFFAOYSA-N 1 0 375.822 3.856 1 0 GHAFRO C[N@@H+]1CCC=C([C@H]2CN(C(=S)Nc3ccc(Cl)cc3Cl)CCO2)C1 ZINC000040834261 205072346 /nfs/dbraw/zinc/07/23/46/205072346.db2.gz AJQMZYILDVZKNE-MRXNPFEDSA-N 1 0 386.348 3.653 1 0 GHAFRO CCn1c2cc[nH+]cc2c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000040880840 205074759 /nfs/dbraw/zinc/07/47/59/205074759.db2.gz KHDTUSSAIHNYFL-UHFFFAOYSA-N 1 0 393.468 3.865 1 0 GHAFRO CC1(C)Oc2cc(C[NH+]3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21 ZINC000058538380 205176581 /nfs/dbraw/zinc/17/65/81/205176581.db2.gz KELDZFKBKQRPFY-NTRNGXRESA-N 1 0 399.531 3.702 1 0 GHAFRO C[N@@H+]1CCC[C@@H]1CCNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc21 ZINC000064481124 205190206 /nfs/dbraw/zinc/19/02/06/205190206.db2.gz WAYIAENUNFBQGK-QGZVFWFLSA-N 1 0 376.460 3.922 1 0 GHAFRO O=C(c1ccccc1)N1CCOC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000064559721 222073696 /nfs/dbraw/zinc/07/36/96/222073696.db2.gz KQSBDHSJXORWPF-UHFFFAOYSA-N 1 0 384.907 3.847 1 0 GHAFRO Cc1ccc(-n2cccn2)c(C[NH+]2CCC(CO)(C[C@H]3CCCCO3)CC2)c1 ZINC000012835698 204455464 /nfs/dbraw/zinc/45/54/64/204455464.db2.gz PUMWKPFXIIGNSJ-OAQYLSRUSA-N 1 0 383.536 3.714 1 0 GHAFRO Cc1ccc(-c2nc3cc4c5c(cccc5C(=O)N(CC[NH+](C)C)C4=O)c3[nH]2)cc1 ZINC000028825801 204882185 /nfs/dbraw/zinc/88/21/85/204882185.db2.gz GDWVLPZGPFHWEB-UHFFFAOYSA-N 1 0 398.466 3.849 1 0 GHAFRO C[NH+](C)CCCn1cnc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc21 ZINC000045253694 205094758 /nfs/dbraw/zinc/09/47/58/205094758.db2.gz CIXBGUCEOUVDPJ-UHFFFAOYSA-N 1 0 386.503 3.860 1 0 GHAFRO O=C(C[N@@H+]1CCC[C@H]1C(c1ccccc1)c1ccccc1)N1CCSCC1 ZINC000045320462 205094795 /nfs/dbraw/zinc/09/47/95/205094795.db2.gz IWSUZEGBCXDFOL-NRFANRHFSA-N 1 0 380.557 3.858 1 0 GHAFRO COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](c3cccc(C4CC4)c3)CN1CC2 ZINC000045337450 205095492 /nfs/dbraw/zinc/09/54/92/205095492.db2.gz QCDDLSJFZWEZAZ-FSSWDIPSSA-N 1 0 378.516 3.995 1 0 GHAFRO c1[nH]nc2c1Cc1cc(-c3cn([C@@H]4CCC[NH2+]C4)nc3-c3ccncc3)ccc1-2 ZINC000071335079 205283195 /nfs/dbraw/zinc/28/31/95/205283195.db2.gz CVSUPQHIXALXEL-LJQANCHMSA-N 1 0 382.471 3.831 1 0 GHAFRO [NH3+]CCCc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1 ZINC000082156664 205389637 /nfs/dbraw/zinc/38/96/37/205389637.db2.gz ZBKQJJYTVPHYDN-UHFFFAOYSA-N 1 0 393.878 3.927 1 0 GHAFRO CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)[C@@H](C[NH3+])[C@@H]4O ZINC000084671815 205397041 /nfs/dbraw/zinc/39/70/41/205397041.db2.gz PJMUHMVDWFGJRD-YXVSODFBSA-N 1 0 377.569 3.898 1 0 GHAFRO O=C(c1c2ccccc2n(-c2ccccn2)c1Oc1ccccc1)N1CC[NH2+]CC1 ZINC000064527351 222072084 /nfs/dbraw/zinc/07/20/84/222072084.db2.gz HWIUUYROPRXNOV-UHFFFAOYSA-N 1 0 398.466 3.863 1 0 GHAFRO Cn1c2cc(-n3ccc(-c4ccc(Cl)cn4)cc3=O)ccc2c2c1C[NH2+]CC2 ZINC000064559237 222073922 /nfs/dbraw/zinc/07/39/22/222073922.db2.gz OWNIXUOKCZCOOZ-UHFFFAOYSA-N 1 0 390.874 3.690 1 0 GHAFRO Cc1cc2nc(N3CCC([NH2+]CCc4ccccn4)CC3)nc(C)c2cc1C ZINC000012152367 204377436 /nfs/dbraw/zinc/37/74/36/204377436.db2.gz NUFVLVBTFSDCKT-UHFFFAOYSA-N 1 0 375.520 3.751 1 0 GHAFRO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+]([C@@H](C)CSC)CC1 ZINC000012209218 204383673 /nfs/dbraw/zinc/38/36/73/204383673.db2.gz BPXLMNCNKIIAJV-HNNXBMFYSA-N 1 0 388.537 3.532 3 0 GHAFRO COc1ccc2c(c1)C(=O)C[C@H](CC[NH+]1CCN(c3ccccc3OC)CC1)C2 ZINC000028468848 204873941 /nfs/dbraw/zinc/87/39/41/204873941.db2.gz NKVRXTUFMMGFAA-GOSISDBHSA-N 1 0 394.515 3.661 1 0 GHAFRO CCC[C@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(Cl)c(N)cc3OC)CC[N@@H+]21 ZINC000040466460 205065123 /nfs/dbraw/zinc/06/51/23/205065123.db2.gz NHSFWKTYHKTQCW-SOUVJXGZSA-N 1 0 379.932 3.846 1 0 GHAFRO CC(C)[C@H]([NH3+])C(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000045387947 205095089 /nfs/dbraw/zinc/09/50/89/205095089.db2.gz FRXODPNPSMUHSR-FPOVZHCZSA-N 1 0 397.906 3.984 1 0 GHAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000049792845 205130082 /nfs/dbraw/zinc/13/00/82/205130082.db2.gz UJKZFUPTYOOVQJ-NVXWUHKLSA-N 1 0 381.863 3.513 1 0 GHAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3ccc(F)c(F)c3)sc21 ZINC000064550011 205191182 /nfs/dbraw/zinc/19/11/82/205191182.db2.gz GTJMIQXXZXFGFE-NSHDSACASA-N 1 0 388.443 3.504 1 0 GHAFRO Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCC[N@@H+](C4CC4)C3)CC2)cc1Cl ZINC000084708999 205399558 /nfs/dbraw/zinc/39/95/58/205399558.db2.gz UYGVZNATVIIKQC-KRWDZBQOSA-N 1 0 390.959 3.672 1 0 GHAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4[nH]c(=O)ccc34)CC2)n1 ZINC000064560537 136156885 /nfs/dbraw/zinc/15/68/85/136156885.db2.gz UDWKRMGZWDOVJB-UHFFFAOYSA-N 1 0 398.510 3.749 1 0 GHAFRO [NH2+]=C1N[C@@H](c2ccc(Cl)cc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000169303993 136197135 /nfs/dbraw/zinc/19/71/35/136197135.db2.gz QMBNMXGAXLLOAF-QFBILLFUSA-N 1 0 393.878 3.825 1 0 GHAFRO COc1ccc(-c2ccn(-c3ccc4c(c3)n(C)c3c4C[NH2+]CC3)c(=O)c2)cc1 ZINC000064559694 222073558 /nfs/dbraw/zinc/07/35/58/222073558.db2.gz JJKWGJGBEJMMMY-UHFFFAOYSA-N 1 0 385.467 3.651 1 0 GHAFRO O=C(c1cccs1)N1CCOC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000064549403 222074255 /nfs/dbraw/zinc/07/42/55/222074255.db2.gz MYUNUPXWDYZLKP-UHFFFAOYSA-N 1 0 390.936 3.909 1 0 GHAFRO Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(Cl)cn4)CC[N@@H+]3C2)cc1 ZINC000003825231 204019511 /nfs/dbraw/zinc/01/95/11/204019511.db2.gz DDLMXDXJVCLTCF-QAPCUYQASA-N 1 0 375.875 3.854 1 0 GHAFRO CCOC(=O)c1ccc(N2Cc3ccccc3C2=O)cc1OCC[NH+](CC)CC ZINC000028819734 204882221 /nfs/dbraw/zinc/88/22/21/204882221.db2.gz AFWAYMZHJZMSPN-UHFFFAOYSA-N 1 0 396.487 3.744 1 0 GHAFRO CN(C)Cc1cc(S(N)(=O)=O)ccc1Sc1cccc(C(F)(F)F)c1 ZINC000040935889 205075164 /nfs/dbraw/zinc/07/51/64/205075164.db2.gz ZMMDUENTAOWDLQ-UHFFFAOYSA-N 1 0 390.452 3.566 1 0 GHAFRO CC(C)(C)[C@H](O)C[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000040956675 205077456 /nfs/dbraw/zinc/07/74/56/205077456.db2.gz AOZIWWIJQOHWMS-QGZVFWFLSA-N 1 0 387.351 3.842 1 0 GHAFRO C[NH+](C)[C@H]1CCc2c(c3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)C1 ZINC000060325710 205180012 /nfs/dbraw/zinc/18/00/12/205180012.db2.gz UQXLBDBXJGUYAE-HNNXBMFYSA-N 1 0 388.920 3.951 1 0 GHAFRO Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000072123247 205306893 /nfs/dbraw/zinc/30/68/93/205306893.db2.gz WWWTVBVPLAQHEV-HXUWFJFHSA-N 1 0 376.504 3.889 1 0 GHAFRO C[N@@H+]1CCC[C@@H](N2N[C@@H](Cc3ccc(Cl)cc3)c3cc(O)ccc3C2=O)CC1 ZINC000084422486 205393488 /nfs/dbraw/zinc/39/34/88/205393488.db2.gz PMYYPYVHWPSRJF-UTKZUKDTSA-N 1 0 399.922 3.774 1 0 GHAFRO Fc1ccc(N2CC[NH+](CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1 ZINC000100803009 136189289 /nfs/dbraw/zinc/18/92/89/136189289.db2.gz FANDJZBJYJYKGY-PUZFROQSSA-N 1 0 383.515 3.799 1 0 GHAFRO C[N@H+]1CC(=Cc2cccc(F)c2)C2=NC(=S)N[C@H](c3cccc(F)c3)C2C1 ZINC000071331612 222182466 /nfs/dbraw/zinc/18/24/66/222182466.db2.gz AIFMYGDACNSYFV-YCZZBHQNSA-N 1 0 383.467 3.767 1 0 GHAFRO COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084617209 536896178 /nfs/dbraw/zinc/89/61/78/536896178.db2.gz DYJGGYMCCGHJMT-UHFFFAOYSA-N 1 0 377.444 3.617 1 0 GHAFRO CC[NH+](CC)CCCN1C(=O)C[C@]2(CCCc3ccc(OC(C)C)cc32)C1=O ZINC000003631748 204017427 /nfs/dbraw/zinc/01/74/27/204017427.db2.gz OOGVQSFZABEELE-QHCPKHFHSA-N 1 0 386.536 3.539 1 0 GHAFRO COCC(=O)N1CCC[C@@]2(CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000003956342 204023047 /nfs/dbraw/zinc/02/30/47/204023047.db2.gz LUVZVUXYCOSILK-XMMPIXPASA-N 1 0 378.516 3.737 1 0 GHAFRO CC[NH+](CC)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12 ZINC000013553353 204494578 /nfs/dbraw/zinc/49/45/78/204494578.db2.gz WCGNBIHZQHGUFA-UHFFFAOYSA-N 1 0 386.517 3.771 1 0 GHAFRO COc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2[C@@H]1CCC[NH2+]C1 ZINC000013975499 204519786 /nfs/dbraw/zinc/51/97/86/204519786.db2.gz NFVSQUPZIYCBJF-OAHLLOKOSA-N 1 0 388.464 3.546 1 0 GHAFRO FC(F)(F)Oc1ccccc1COC[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000022926717 204792845 /nfs/dbraw/zinc/79/28/45/204792845.db2.gz RLKXIOPUSKGBMI-GOSISDBHSA-N 1 0 380.410 3.748 1 0 GHAFRO Clc1ccc2c(c1)CCc1cc(Br)cnc1[C@@H]2N1CC[NH2+]CC1 ZINC000028001634 204865495 /nfs/dbraw/zinc/86/54/95/204865495.db2.gz IPHCBXNENPICLU-GOSISDBHSA-N 1 0 392.728 3.591 1 0 GHAFRO COC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@H]1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000028635848 204878781 /nfs/dbraw/zinc/87/87/81/204878781.db2.gz XPNZBHKTKPGITL-WMZHIEFXSA-N 1 0 399.918 3.754 1 0 GHAFRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+]([C@@]1(c3ccccc3)CCCOC1)CC2 ZINC000038147595 205036357 /nfs/dbraw/zinc/03/63/57/205036357.db2.gz HDXLFCMABRPUOD-DHLKQENFSA-N 1 0 390.527 3.688 1 0 GHAFRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](C1(c3ccccc3)CCOCC1)CC2 ZINC000038147597 205036360 /nfs/dbraw/zinc/03/63/60/205036360.db2.gz UQZKADKVZVDMTP-QFIPXVFZSA-N 1 0 390.527 3.688 1 0 GHAFRO COc1cccc(S(=O)(=O)n2c3ccccc3c3c2CCN(C(C)C)CC3)c1 ZINC000040935026 205075461 /nfs/dbraw/zinc/07/54/61/205075461.db2.gz LDRACNRXCQNYIU-UHFFFAOYSA-N 1 0 398.528 3.696 1 0 GHAFRO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1cn2c3c1cccc3OC[C@H]2C1CCCCC1 ZINC000058487729 205176138 /nfs/dbraw/zinc/17/61/38/205176138.db2.gz RECWZMXRXCPHSX-YRNRMSPPSA-N 1 0 381.520 3.978 1 0 GHAFRO C[N@@H+]1CCC[C@H]1CCNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc21 ZINC000064481126 205189654 /nfs/dbraw/zinc/18/96/54/205189654.db2.gz WAYIAENUNFBQGK-KRWDZBQOSA-N 1 0 376.460 3.922 1 0 GHAFRO CC[NH2+]Cc1cncc(-c2ccc3[nH]nc(-c4nc5cc[nH]cc-5n4)c3c2)c1C ZINC000072177728 205318008 /nfs/dbraw/zinc/31/80/08/205318008.db2.gz SHJQLCLMBZAYPS-UHFFFAOYSA-N 1 0 383.459 3.981 1 0 GHAFRO O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(Nc2ccccc2)n1 ZINC000096269635 136186074 /nfs/dbraw/zinc/18/60/74/136186074.db2.gz GOHJKCRHNWMRCD-UHFFFAOYSA-N 1 0 379.489 3.549 1 0 GHAFRO COCCS(=O)(=O)c1ccc(-c2ccc(CC[N@@H+]3CCC[C@@H]3C)cc2)cc1 ZINC000073224825 222268650 /nfs/dbraw/zinc/26/86/50/222268650.db2.gz PTAZTAQXCREXPY-SFHVURJKSA-N 1 0 387.545 3.801 1 0 GHAFRO Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12 ZINC000014961592 581091653 /nfs/dbraw/zinc/09/16/53/581091653.db2.gz BNFMNOMUDQORMA-KRWDZBQOSA-N 1 0 398.470 3.758 1 0 GHAFRO CN(C(=O)Cc1cccc2occc21)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1[NH+]1CCCC1 ZINC000030691350 204897720 /nfs/dbraw/zinc/89/77/20/204897720.db2.gz JMBYBVLCYODBJQ-LGVFNWMJSA-N 1 0 396.531 4.000 1 0 in-man GHAFRO CN(Cc1nc2ccccc2n1CCC[NH+](C)C)[C@@H]1CCCc2cccnc21 ZINC000045256503 205094920 /nfs/dbraw/zinc/09/49/20/205094920.db2.gz JEPDGRCNPREMJT-OAQYLSRUSA-N 1 0 377.536 3.892 1 0 GHAFRO Cn1cc(-c2ccccc2Cl)nc1[C@@H]1C[C@H](C[NH+]2CCCCC2)C(=O)N1C ZINC000040864810 205074754 /nfs/dbraw/zinc/07/47/54/205074754.db2.gz LJRKONJQQURGCG-BEFAXECRSA-N 1 0 386.927 3.746 1 0 GHAFRO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cccs2)C[C@H]1n1cc(C2CC2)nn1 ZINC000061923816 205184503 /nfs/dbraw/zinc/18/45/03/205184503.db2.gz CLGJCIAONGAXNU-NJDAHSKKSA-N 1 0 380.517 3.766 3 0 GHAFRO [NH3+]C1CCN(Cc2ccn3ncnc(Nc4cc(Cl)cc(Cl)c4)c23)CC1 ZINC000066259572 205241368 /nfs/dbraw/zinc/24/13/68/205241368.db2.gz RJCCTILJUFFGCE-UHFFFAOYSA-N 1 0 391.306 3.703 1 0 GHAFRO CC[NH2+]Cc1cc(-c2ccc3c(c2)OCO3)n(S(=O)(=O)c2ccc(C)cc2)c1 ZINC000084669371 205397345 /nfs/dbraw/zinc/39/73/45/205397345.db2.gz GMZWUOLIXHOFPO-UHFFFAOYSA-N 1 0 398.484 3.539 1 0 GHAFRO CC(C)([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1)c1ccccc1 ZINC000095587272 205501164 /nfs/dbraw/zinc/50/11/64/205501164.db2.gz NSNHZYWRMYAGMI-XZOQPEGZSA-N 1 0 394.559 3.790 1 0 GHAFRO COC(=O)C[C@@H]1C[C@H]2C[C@@H]1C[N@@H+]2CCOc1ccc(Cc2ccccc2)cc1 ZINC000013860543 581097720 /nfs/dbraw/zinc/09/77/20/581097720.db2.gz TVCGRKCLHRKUMS-BDTNDASRSA-N 1 0 379.500 3.930 1 0 GHAFRO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000040847176 886641849 /nfs/dbraw/zinc/64/18/49/886641849.db2.gz XJYQGVZXEQCTBM-UHFFFAOYSA-N 1 0 386.499 3.997 1 0 GHAFRO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(F)cc3F)c3ccccc32)CC1 ZINC000004142721 204029484 /nfs/dbraw/zinc/02/94/84/204029484.db2.gz NICRJNKAIJDPQA-UHFFFAOYSA-N 1 0 396.441 3.907 3 0 GHAFRO C=C(c1cc(Cl)cc(Cl)c1OC[C@H](O)C[NH2+]C(C)(C)C)n1ccnc1 ZINC000040466469 205064958 /nfs/dbraw/zinc/06/49/58/205064958.db2.gz ICCKDLSKTSZQCC-CQSZACIVSA-N 1 0 384.307 3.837 1 0 GHAFRO C[NH2+]C[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Br)c21 ZINC000045288186 205093862 /nfs/dbraw/zinc/09/38/62/205093862.db2.gz TUHQZGVWJDBKNN-AEFFLSMTSA-N 1 0 377.257 3.713 1 0 GHAFRO CC(C)[C@@H]([NH3+])C(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000045336837 205095238 /nfs/dbraw/zinc/09/52/38/205095238.db2.gz FRXODPNPSMUHSR-CTNGQTDRSA-N 1 0 397.906 3.984 1 0 GHAFRO CC(C)[C@H]([NH3+])C(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1cccc(O)c1 ZINC000045387950 205096168 /nfs/dbraw/zinc/09/61/68/205096168.db2.gz FRXODPNPSMUHSR-PZJWPPBQSA-N 1 0 397.906 3.984 1 0 GHAFRO Cc1nc2ccccc2c(=O)n1-c1ccc(OCCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000040918788 205075984 /nfs/dbraw/zinc/07/59/84/205075984.db2.gz IDSIKSVHBPFOAK-KRWDZBQOSA-N 1 0 377.488 3.805 1 0 GHAFRO C[NH+](C)[C@@H]1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000060325911 205179360 /nfs/dbraw/zinc/17/93/60/205179360.db2.gz LZILBCGLADWRRO-OAHLLOKOSA-N 1 0 390.455 3.575 1 0 GHAFRO C[C@@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[N@@H+]1C1Cc2ccccc2C1 ZINC000061905956 205182509 /nfs/dbraw/zinc/18/25/09/205182509.db2.gz UCJYGZPNIYKGHO-NRFANRHFSA-N 1 0 388.433 3.953 3 0 GHAFRO Cn1nc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)c2ccccc2c1=O ZINC000072123593 205306099 /nfs/dbraw/zinc/30/60/99/205306099.db2.gz UQECZBVIJKOGTA-UHFFFAOYSA-N 1 0 377.488 3.855 1 0 GHAFRO Cc1cn(-c2ccc3c(N)ncnc3c2SCC[NH3+])c2c1C(=O)CC(C)(C)C2 ZINC000084602672 205396295 /nfs/dbraw/zinc/39/62/95/205396295.db2.gz QLLRSXADVRQNHU-UHFFFAOYSA-N 1 0 395.532 3.517 1 0 GHAFRO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019770980 570218139 /nfs/dbraw/zinc/21/81/39/570218139.db2.gz BJWLIQNCLGRWFV-BIHRQFPBSA-N 1 0 388.596 3.643 1 0 GHAFRO COc1ccccc1C[N@@H+]1CCCC2(CCN(C(=O)c3c(C)noc3C)CC2)C1 ZINC000004238059 204034244 /nfs/dbraw/zinc/03/42/44/204034244.db2.gz NMBOOPMACFYVES-UHFFFAOYSA-N 1 0 397.519 3.818 1 0 GHAFRO O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1[C@@H]1CCC[NH2+]C1 ZINC000027752077 204861686 /nfs/dbraw/zinc/86/16/86/204861686.db2.gz URKHNJXCUHFXHI-CQSZACIVSA-N 1 0 388.298 3.929 1 0 GHAFRO COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CCC[NH+](C)C)c2=O)cc1 ZINC000026575073 204846235 /nfs/dbraw/zinc/84/62/35/204846235.db2.gz GRANXNXKDXNMFY-UHFFFAOYSA-N 1 0 396.487 3.646 1 0 GHAFRO CN(Cc1nc2ccccc2n1CCC[NH+](C)C)[C@H]1CCCc2cccnc21 ZINC000045256506 205094731 /nfs/dbraw/zinc/09/47/31/205094731.db2.gz JEPDGRCNPREMJT-NRFANRHFSA-N 1 0 377.536 3.892 1 0 GHAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2sc(-c3ccc(Cl)cc3)cc21 ZINC000064559433 205191301 /nfs/dbraw/zinc/19/13/01/205191301.db2.gz LHCASPWRCWJWRI-ZDUSSCGKSA-N 1 0 386.908 3.880 1 0 GHAFRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2S(=O)(=O)N1)c1cccc2ccccc21 ZINC000072106316 205303524 /nfs/dbraw/zinc/30/35/24/205303524.db2.gz JNXDWXIYTHBTJB-APWZRJJASA-N 1 0 380.513 3.784 1 0 GHAFRO CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1C[NH3+] ZINC000072178157 205318057 /nfs/dbraw/zinc/31/80/57/205318057.db2.gz JNCVZAAHUDOUOH-UHFFFAOYSA-N 1 0 381.451 3.562 1 0 GHAFRO COc1cc([C@H](C)C(=O)NCCCc2ccc(C)c(C)c2)ccc1OCC[NH3+] ZINC000084687865 205398508 /nfs/dbraw/zinc/39/85/08/205398508.db2.gz WVJARODAMMHDHV-SFHVURJKSA-N 1 0 384.520 3.502 1 0 GHAFRO O=c1[nH]c(N2CCC([N@H+]3CC=C(c4ccccc4)CC3)CC2)nc2ccccc21 ZINC000028954684 581101163 /nfs/dbraw/zinc/10/11/63/581101163.db2.gz TYIYEEGUDVBHEJ-UHFFFAOYSA-N 1 0 386.499 3.681 1 0 GHAFRO CCC(=O)N1c2c(ccc(OC)c2O)[C@]23CC[N@H+]4CCC[C@](CC)(CC[C@@H]12)[C@@H]43 ZINC000028538823 291131581 /nfs/dbraw/zinc/13/15/81/291131581.db2.gz NYXFTFFBMCPHRW-ULLYJBBUSA-N 1 0 384.520 3.822 1 0 biogenic,in-vitro GHAFRO [NH3+][C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000014958728 204548513 /nfs/dbraw/zinc/54/85/13/204548513.db2.gz OHOPDRRPSWGLIL-WBMJQRKESA-N 1 0 376.407 3.554 1 0 GHAFRO CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(CC[NH3+])c4)c3c2)c1 ZINC000045168350 205092378 /nfs/dbraw/zinc/09/23/78/205092378.db2.gz UWUZWRRRGVOKOQ-UHFFFAOYSA-N 1 0 391.496 3.802 1 0 GHAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C)cc2)CC[C@@H]([NH+](C)C)C1 ZINC000060325914 205179833 /nfs/dbraw/zinc/17/98/33/205179833.db2.gz ALWRRUFJVQDOPL-MRXNPFEDSA-N 1 0 398.528 3.614 1 0 GHAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 ZINC000061908868 205183939 /nfs/dbraw/zinc/18/39/39/205183939.db2.gz LTLUCCDUNFJLHP-KRWDZBQOSA-N 1 0 383.473 3.655 3 0 GHAFRO c1nn(-c2ccccc2)c2c1[C@@H](CC[NH+]1CCN(c3ccccc3)CC1)OCC2 ZINC000148174066 136193071 /nfs/dbraw/zinc/19/30/71/136193071.db2.gz VSKVHXRZGHIJJW-XMMPIXPASA-N 1 0 388.515 3.698 1 0 GHAFRO [NH2+]=C1N[C@@H](c2ccc(Cl)cc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000195176887 136202487 /nfs/dbraw/zinc/20/24/87/136202487.db2.gz QMBNMXGAXLLOAF-VQIMIIECSA-N 1 0 393.878 3.825 1 0 GHAFRO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000004164687 204030684 /nfs/dbraw/zinc/03/06/84/204030684.db2.gz VESGNTBUUJOFAR-GPXNEJASSA-N 1 0 383.532 3.699 1 0 GHAFRO [NH3+]CCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21 ZINC000013672447 204502924 /nfs/dbraw/zinc/50/29/24/204502924.db2.gz UBKZMUWEMTYMDH-UHFFFAOYSA-N 1 0 398.854 3.649 1 0 GHAFRO FC(F)(F)c1cc(Br)cc(Br)c1NC1=[NH+]CCN1 ZINC000027560139 204858018 /nfs/dbraw/zinc/85/80/18/204858018.db2.gz XVKIWKUBZBAGIX-UHFFFAOYSA-N 1 0 386.997 3.602 1 0 GHAFRO O=C1O[C@]2(CN1c1ccc3occ(Br)c3c1)C[NH+]1CCC2CC1 ZINC000036079925 205003638 /nfs/dbraw/zinc/00/36/38/205003638.db2.gz BSLJTEKAJGEMHJ-KRWDZBQOSA-N 1 0 377.238 3.616 1 0 GHAFRO CCC[NH2+]CC(=O)Nc1ccc([C@H]2NC(=O)[C@H](C(C)C)c3ccccc32)cc1 ZINC000039219684 205040433 /nfs/dbraw/zinc/04/04/33/205040433.db2.gz UAZBVVKDHRCJBX-FGZHOGPDSA-N 1 0 379.504 3.584 1 0 GHAFRO Cn1c(=O)c2ccccc2nc1-c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000045497318 205097540 /nfs/dbraw/zinc/09/75/40/205097540.db2.gz NYZWASOCJLRCHC-UHFFFAOYSA-N 1 0 377.488 3.855 1 0 GHAFRO CC[NH+](CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O ZINC000049050561 205125875 /nfs/dbraw/zinc/12/58/75/205125875.db2.gz HOQTXEAKDQLKNF-UHFFFAOYSA-N 1 0 388.471 3.658 1 0 GHAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3ccccc3Cl)sc21 ZINC000064549840 222073358 /nfs/dbraw/zinc/07/33/58/222073358.db2.gz DOIPZTNOYFNWNF-NSHDSACASA-N 1 0 386.908 3.880 1 0 GHAFRO CC[NH+](CC)CCCNC(=O)c1oc2ccc3c(c2c1C)[C@H](O)CC(C)(C)O3 ZINC000006940571 204226053 /nfs/dbraw/zinc/22/60/53/204226053.db2.gz SGZHCKBOXZLVNO-OAHLLOKOSA-N 1 0 388.508 3.797 3 0 GHAFRO O=C1NC[C@H](c2ccccc2)C12CC[NH+]([C@]1(c3ccccc3)CCCOC1)CC2 ZINC000038147594 205035652 /nfs/dbraw/zinc/03/56/52/205035652.db2.gz HDXLFCMABRPUOD-RCZVLFRGSA-N 1 0 390.527 3.688 1 0 GHAFRO O=c1cc(-c2ccccc2)ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000043202859 205081845 /nfs/dbraw/zinc/08/18/45/205081845.db2.gz JQBMDYHAADFKSN-UHFFFAOYSA-N 1 0 384.483 3.950 1 0 GHAFRO c1ncc(-c2cc3sc(N4CCC([NH+]5CCCCC5)CC4)nc3cn2)cn1 ZINC000045301042 205094215 /nfs/dbraw/zinc/09/42/15/205094215.db2.gz UBBYLYDQJUESJK-UHFFFAOYSA-N 1 0 380.521 3.603 1 0 GHAFRO CC[NH+]1CCC(Nc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 ZINC000049088536 205126156 /nfs/dbraw/zinc/12/61/56/205126156.db2.gz XEDRPMHGWQSYFG-UHFFFAOYSA-N 1 0 399.498 3.833 1 0 GHAFRO CN1CN(c2ccccc2)C2(CC[NH+](Cc3coc4ccccc34)CC2)C1=O ZINC000053246854 205135226 /nfs/dbraw/zinc/13/52/26/205135226.db2.gz LPZBJVXNLCRBGB-UHFFFAOYSA-N 1 0 375.472 3.704 1 0 GHAFRO COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3[N@H+](CC1CC1)CC2)OCO4 ZINC000072118349 205305269 /nfs/dbraw/zinc/30/52/69/205305269.db2.gz XHVGMEDKCCFUAG-QGZVFWFLSA-N 1 0 379.456 3.965 1 0 GHAFRO COC(=O)c1cc2c(s1)C[C@@H](OC)OC21CC[NH+](Cc2ccccc2)CC1 ZINC000084708491 205399402 /nfs/dbraw/zinc/39/94/02/205399402.db2.gz RMYCNPMGUHXJAX-IBGZPJMESA-N 1 0 387.501 3.571 1 0 GHAFRO CN(C)C(=O)N[C@H]1CC[C@H](CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000101505844 136189812 /nfs/dbraw/zinc/18/98/12/136189812.db2.gz UKTPIKKOBBTSDN-IZAXUBKRSA-N 1 0 392.975 3.682 1 0 GHAFRO CN(c1nc(C(=O)Nc2ccccc2N2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000096269633 536302535 /nfs/dbraw/zinc/30/25/35/536302535.db2.gz KVWPVNNATUQLIH-UHFFFAOYSA-N 1 0 393.516 3.573 1 0 GHAFRO CN(C(=O)Cc1cccc2occc21)[C@@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000005965794 204159771 /nfs/dbraw/zinc/15/97/71/204159771.db2.gz JMBYBVLCYODBJQ-DPLHUUCSSA-N 1 0 396.531 4.000 1 0 in-man GHAFRO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCC[NH+]3CCCCCC3)c2)on1 ZINC000007005351 204229567 /nfs/dbraw/zinc/22/95/67/204229567.db2.gz LCCLRTDVEQNHOH-UHFFFAOYSA-N 1 0 391.537 3.503 3 0 GHAFRO CC(C)[NH+](CCn1c2ccccc2nc1Cn1nnc2ccccc21)C(C)C ZINC000026275909 204841356 /nfs/dbraw/zinc/84/13/56/204841356.db2.gz CLGWPHZEGZCLEO-UHFFFAOYSA-N 1 0 376.508 3.948 1 0 GHAFRO [NH3+][C@H]1CN(c2cc(-c3ccccc3F)ncn2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000028823830 204881525 /nfs/dbraw/zinc/88/15/25/204881525.db2.gz OLTMLWNZLFHZKA-ACJLOTCBSA-N 1 0 388.368 3.631 1 0 GHAFRO [NH3+][C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000028899679 204883902 /nfs/dbraw/zinc/88/39/02/204883902.db2.gz OHOPDRRPSWGLIL-MLGOLLRUSA-N 1 0 376.407 3.554 1 0 GHAFRO CN1CCN(c2ccc(Oc3ccc4c(c3)CC[N@H+](C3CCC3)CC4)nc2)C1=O ZINC000036400496 205015627 /nfs/dbraw/zinc/01/56/27/205015627.db2.gz WKPUUXOBZGVMCK-UHFFFAOYSA-N 1 0 392.503 3.699 1 0 GHAFRO c1ncc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)sc3c2)cn1 ZINC000045291203 205094528 /nfs/dbraw/zinc/09/45/28/205094528.db2.gz WVXYZXRHQOUJJQ-UHFFFAOYSA-N 1 0 380.521 3.603 1 0 GHAFRO O=c1cc(OCCC[NH+]2CCCC2)cc2occ(-c3ccc(O)cc3)c(O)c1-2 ZINC000040973656 205076737 /nfs/dbraw/zinc/07/67/37/205076737.db2.gz SHZBNXVHGGTFJV-UHFFFAOYSA-N 1 0 381.428 3.736 1 0 GHAFRO CCc1cccc([C@H]2C[NH2+]C[C@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 ZINC000049037739 205125112 /nfs/dbraw/zinc/12/51/12/205125112.db2.gz QQUJDHMPKQOPAQ-QZTJIDSGSA-N 1 0 395.890 3.686 1 0 GHAFRO CCCCCCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1 ZINC000169334060 205828937 /nfs/dbraw/zinc/82/89/37/205828937.db2.gz KFIWFQKZPGNADH-GOSISDBHSA-N 1 0 378.513 3.536 1 0 GHAFRO COc1cccc(OC)c1[C@H]1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000100085760 136189002 /nfs/dbraw/zinc/18/90/02/136189002.db2.gz NYWPLIFCHQRPAI-WGSAOQKQSA-N 1 0 381.520 3.947 1 0 GHAFRO O=S(=O)(c1cn([C@H]2CCC[NH2+]C2)c2ccccc12)c1cccc2cccnc21 ZINC000003937724 204023270 /nfs/dbraw/zinc/02/32/70/204023270.db2.gz AQNZXINGTMSAJY-KRWDZBQOSA-N 1 0 391.496 3.947 1 0 GHAFRO CN(C(=O)Cc1cc(Cl)c(Cl)cc1N)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000006010249 204161371 /nfs/dbraw/zinc/16/13/71/204161371.db2.gz WRHAGKLNUCUJGJ-ROUUACIJSA-N 1 0 384.351 3.984 1 0 GHAFRO COc1cccc2c1CCC[C@H]2C[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000022938368 204794619 /nfs/dbraw/zinc/79/46/19/204794619.db2.gz LARIVMVEHPBTKT-FQEVSTJZSA-N 1 0 379.548 3.527 1 0 GHAFRO O=S(=O)(c1ccc(Cl)s1)c1cn([C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000028862411 204883041 /nfs/dbraw/zinc/88/30/41/204883041.db2.gz XNJBCLZUQVQMEM-LLVKDONJSA-N 1 0 381.910 3.509 1 0 GHAFRO Cc1ccc2c(c1)nc(C)n(-c1ccc(OCCC[NH+]3CCCC3)cc1)c2=O ZINC000040403597 205063342 /nfs/dbraw/zinc/06/33/42/205063342.db2.gz HWWQQYFCROUFSR-UHFFFAOYSA-N 1 0 377.488 3.867 1 0 GHAFRO C[NH2+][C@H](C)CN1CCC(c2cc3[nH]c(-c4cccnc4OC)nc3c(C)c2)CC1 ZINC000045259795 205094230 /nfs/dbraw/zinc/09/42/30/205094230.db2.gz STCUMBIMJUZLIA-MRXNPFEDSA-N 1 0 393.535 3.729 1 0 GHAFRO O[C@@H](NC[C@H]1CCC[NH2+]1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045337216 205095654 /nfs/dbraw/zinc/09/56/54/205095654.db2.gz HXIIVEXNDYQSKF-RFAUZJTJSA-N 1 0 393.331 3.605 1 0 GHAFRO CC[NH+](CC)CCc1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040847401 205072766 /nfs/dbraw/zinc/07/27/66/205072766.db2.gz BWXHMXHAOOBDRJ-QFIPXVFZSA-N 1 0 383.488 3.775 1 0 GHAFRO COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cccc(C[NH+]3CCCCC3)c1)O2 ZINC000040897932 205074617 /nfs/dbraw/zinc/07/46/17/205074617.db2.gz RCIHCHNFFIUBJL-JOCHJYFZSA-N 1 0 381.472 3.876 1 0 GHAFRO COc1ccc2c(S(=O)(=O)c3cccc(Cl)c3)cn([C@H]3CC[NH2+]C3)c2c1 ZINC000049055271 205124799 /nfs/dbraw/zinc/12/47/99/205124799.db2.gz YJDWCWUZTZSLNC-AWEZNQCLSA-N 1 0 390.892 3.671 1 0 GHAFRO Cc1noc(C)c1C(=O)Nc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)c(C)c1 ZINC000059263165 205178856 /nfs/dbraw/zinc/17/88/56/205178856.db2.gz VLWVMXXYTWWGGK-HNAYVOBHSA-N 1 0 382.508 3.915 1 0 GHAFRO Cc1noc(C)c1C(=O)Nc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)c(C)c1 ZINC000059263162 205179036 /nfs/dbraw/zinc/17/90/36/205179036.db2.gz VLWVMXXYTWWGGK-KXBFYZLASA-N 1 0 382.508 3.915 1 0 GHAFRO C[NH+](C)[C@@H]1CCc2c(c3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)C1 ZINC000060325709 205180181 /nfs/dbraw/zinc/18/01/81/205180181.db2.gz UQXLBDBXJGUYAE-OAHLLOKOSA-N 1 0 388.920 3.951 1 0 GHAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCC[NH+](C)C ZINC000072318828 205324337 /nfs/dbraw/zinc/32/43/37/205324337.db2.gz HSALTGSTTYNSBB-WJDWOHSUSA-N 1 0 384.455 3.544 1 0 GHAFRO CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CC[N@H+](C3CCOCC3)C2)CC1 ZINC000082154187 205389527 /nfs/dbraw/zinc/38/95/27/205389527.db2.gz IGBCISBWUNCTNY-UHFFFAOYSA-N 1 0 395.547 3.588 1 0 GHAFRO [NH3+]Cc1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)cc1 ZINC000101404191 136189626 /nfs/dbraw/zinc/18/96/26/136189626.db2.gz XNEYIYYPOSKHLU-UHFFFAOYSA-N 1 0 378.497 3.738 1 0 GHAFRO O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000022937417 207265074 /nfs/dbraw/zinc/26/50/74/207265074.db2.gz BXJUXLMPTUNFRY-DNQXCXABSA-N 1 0 394.534 3.741 1 0 GHAFRO O=C(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1c2ccccc2NC(=O)c2cccnc21 ZINC000026819698 207319996 /nfs/dbraw/zinc/31/99/96/207319996.db2.gz BZSHUIFWUVAHTJ-LPHOPBHVSA-N 1 0 390.487 3.967 1 0 GHAFRO COc1ccc2c(c1)[C@H](NCCC[NH2+]C1CCCCC1)c1cccnc1CO2 ZINC000026840734 207320192 /nfs/dbraw/zinc/32/01/92/207320192.db2.gz ZKGYUJHIWYQAAW-HSZRJFAPSA-N 1 0 381.520 3.974 1 0 GHAFRO COc1cc2c(cc1OC)C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(C)C)[C@@H](O)C2 ZINC000027720838 207330075 /nfs/dbraw/zinc/33/00/75/207330075.db2.gz GHCOKZZQNZKRED-FSSWDIPSSA-N 1 0 383.532 3.951 1 0 GHAFRO O=C(NCCN1CC[NH+]([C@H]2CCCCc3ccccc32)CC1)c1ccccc1 ZINC000028089252 207334300 /nfs/dbraw/zinc/33/43/00/207334300.db2.gz PIJKZIPNMQLLIJ-QHCPKHFHSA-N 1 0 377.532 3.502 1 0 GHAFRO c1ccc(C[NH+]2C[C@@H]3CN(c4ncnc5oc(-c6ccccc6)nc54)C[C@H]3C2)cc1 ZINC000028103109 207334469 /nfs/dbraw/zinc/33/44/69/207334469.db2.gz XMMVNMBKWNBYTL-WOJBJXKFSA-N 1 0 397.482 3.853 1 0 GHAFRO CCOC1(OCC)[C@@H]2c3cccc[n+]3[C@@H](c3c(OC)ccc(OC)c32)C1(C)C ZINC000027441092 207325953 /nfs/dbraw/zinc/32/59/53/207325953.db2.gz YMTDMHUARURUBA-RTWAWAEBSA-N 1 0 384.496 3.835 1 0 GHAFRO [NH3+]CCCn1cc(C2=C(c3cccc4ccccc43)C(=O)NC2=O)c2ccccc21 ZINC000029125076 207354563 /nfs/dbraw/zinc/35/45/63/207354563.db2.gz JZXYJXVDOJINHT-UHFFFAOYSA-N 1 0 395.462 3.711 1 0 GHAFRO CC1=Nc2c(c[n+](=O)c(-c3ccccc3Cl)c3cc(Cl)ccc32)CN1O ZINC000029332249 207361148 /nfs/dbraw/zinc/36/11/48/207361148.db2.gz MRRIGJAPQBEYKH-UHFFFAOYSA-N 1 0 386.238 3.859 1 0 GHAFRO C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2cccc(O)c2)CC1 ZINC000040566917 207602289 /nfs/dbraw/zinc/60/22/89/207602289.db2.gz OFQYESHFEQJLJU-UHFFFAOYSA-N 1 0 391.519 3.689 1 0 GHAFRO CC(=O)N1CCC(Oc2ccc3c(c2)CCC2(CC[NH+](C4CCC4)CC2)O3)CC1 ZINC000084597086 208092862 /nfs/dbraw/zinc/09/28/62/208092862.db2.gz RTNZBEUCZIJXRY-UHFFFAOYSA-N 1 0 398.547 3.788 1 0 GHAFRO CCOc1ccc(N2CCC3(CC[NH+](Cc4ncccc4C)CC3)C2=O)cc1 ZINC000096286141 208301571 /nfs/dbraw/zinc/30/15/71/208301571.db2.gz KLRMAKIRJONIMW-UHFFFAOYSA-N 1 0 379.504 3.808 1 0 GHAFRO N#CN[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc(C(F)(F)F)cc21 ZINC000026733372 207317073 /nfs/dbraw/zinc/31/70/73/207317073.db2.gz SXSHZDUTAVYNGB-UHFFFAOYSA-N 1 0 382.312 3.519 1 0 GHAFRO COc1ccc2c(c1)[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccnc1CO2 ZINC000026835845 207319375 /nfs/dbraw/zinc/31/93/75/207319375.db2.gz DBBOGONHTQGPCF-MFEFFIJZSA-N 1 0 381.520 3.925 1 0 GHAFRO CN(C)C1(C[NH2+]CCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 ZINC000028821273 207349622 /nfs/dbraw/zinc/34/96/22/207349622.db2.gz CWHBWBZGFMIKAF-UHFFFAOYSA-N 1 0 384.564 3.954 1 0 GHAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2cc(O)ccc2C1 ZINC000028964135 207353043 /nfs/dbraw/zinc/35/30/43/207353043.db2.gz PACGJHIALGCWJV-DEOSSOPVSA-N 1 0 393.575 3.784 1 0 GHAFRO COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)[C@H](C)[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000029237616 207357809 /nfs/dbraw/zinc/35/78/09/207357809.db2.gz KMGMBUQFGRUOOM-IKNYJKONSA-N 1 0 381.516 3.596 1 0 GHAFRO O=C(NCc1ccc(Cl)cc1)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000045302164 207654111 /nfs/dbraw/zinc/65/41/11/207654111.db2.gz RZXTVXXLOKKJPL-IAGOWNOFSA-N 1 0 382.813 3.978 1 0 GHAFRO O=c1ccc2cc(-c3nnc(N4CCC([NH+]5CCCCC5)CC4)s3)ccc2[nH]1 ZINC000084758529 208098913 /nfs/dbraw/zinc/09/89/13/208098913.db2.gz PASLSFSGVWSSPM-UHFFFAOYSA-N 1 0 395.532 3.501 1 0 GHAFRO [NH2+]=C1N[C@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)C[C@@H]2CCS1 ZINC000095590060 208236281 /nfs/dbraw/zinc/23/62/81/208236281.db2.gz COCAUCFPFHUGAA-XTZNXHDOSA-N 1 0 390.871 3.793 1 0 GHAFRO Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)nc1N(C)C ZINC000101297003 208388888 /nfs/dbraw/zinc/38/88/88/208388888.db2.gz XEOSDWIUBUJPES-QAQDUYKDSA-N 1 0 387.915 3.658 1 0 GHAFRO COc1cc(OC)c2c(=O)cc(-c3ccc(OC4CC[NH+](C)CC4)cc3)oc2c1 ZINC000169349817 208732149 /nfs/dbraw/zinc/73/21/49/208732149.db2.gz HCJVWFUWKCLTND-UHFFFAOYSA-N 1 0 395.455 3.950 1 0 GHAFRO N=C(Nc1ccc2c(c1)CCC(=O)N2CC[NH+]1CCCCC1)c1cccs1 ZINC000073159835 136171458 /nfs/dbraw/zinc/17/14/58/136171458.db2.gz HWSJKPFDKFYFPU-UHFFFAOYSA-N 1 0 382.533 3.951 1 0 GHAFRO Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4c[nH+]ccc4c3)CC2)c1 ZINC000095571247 136182172 /nfs/dbraw/zinc/18/21/72/136182172.db2.gz NTNLUWOWRNTNGC-UHFFFAOYSA-N 1 0 377.517 3.766 1 0 GHAFRO NC(=O)C1CC[NH+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1 ZINC000040919200 581098916 /nfs/dbraw/zinc/09/89/16/581098916.db2.gz CJHALXUVAOMHMH-UHFFFAOYSA-N 1 0 397.500 3.665 1 0 GHAFRO CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000003779694 206293628 /nfs/dbraw/zinc/29/36/28/206293628.db2.gz RJZLPXDYXSPJSS-KRWDZBQOSA-N 1 0 377.488 4.000 1 0 in-man GHAFRO O=C(c1ccco1)N(C1CC[NH+](CCc2ccccc2)CC1)N1CCCCC1 ZINC000000837990 206326090 /nfs/dbraw/zinc/32/60/90/206326090.db2.gz DRRKXLPUGWBKGJ-UHFFFAOYSA-N 1 0 381.520 3.830 1 0 GHAFRO C[C@H]1CCn2cc[n+](C[C@@H]3CC(c4ccccc4)(c4ccccc4)C(=O)O3)c2C1 ZINC000013651211 206987468 /nfs/dbraw/zinc/98/74/68/206987468.db2.gz RMJUNYMDRYJSJL-UGKGYDQZSA-N 1 0 387.503 3.660 1 0 GHAFRO O[C@H]1CCc2c(c3ccccc3n2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000013864097 207003325 /nfs/dbraw/zinc/00/33/25/207003325.db2.gz FEMKPVDHFCRPKA-NRFANRHFSA-N 1 0 389.543 3.703 1 0 GHAFRO O=C1CC[C@](c2ccccc2)(C2CC[NH+](Cc3ccccc3Cl)CC2)C(=O)N1 ZINC000026005622 207309127 /nfs/dbraw/zinc/30/91/27/207309127.db2.gz BUWSTNPQZYWTCB-QHCPKHFHSA-N 1 0 396.918 3.927 1 0 GHAFRO COc1cccc2c1C[C@H]1CCC[N@H+](C/C=C/I)[C@H]1C2 ZINC000027416668 207325581 /nfs/dbraw/zinc/32/55/81/207325581.db2.gz FPZPTCIPFUOBLF-XSXXPSGLSA-N 1 0 383.273 3.823 1 0 GHAFRO CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3ccccc32)C1(OCC)OCC ZINC000027520533 207326044 /nfs/dbraw/zinc/32/60/44/207326044.db2.gz LIUNAPRAJKSFIO-SFTDATJTSA-N 1 0 384.496 3.561 1 0 GHAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000028762614 207347759 /nfs/dbraw/zinc/34/77/59/207347759.db2.gz GLCMBKIBJVASLX-YDHSSHFGSA-N 1 0 379.548 3.940 1 0 GHAFRO NC(=O)[C@@H]1CC[C@H](C[NH+]2CCC(=C(c3ccccc3)c3ccc(F)cc3)CC2)O1 ZINC000028757951 207348620 /nfs/dbraw/zinc/34/86/20/207348620.db2.gz XEUBQMWKWUHVDM-YADHBBJMSA-N 1 0 394.490 3.756 1 0 GHAFRO C[NH+]1CCN([C@@H](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c2ccccc2)CC1 ZINC000029417154 207362872 /nfs/dbraw/zinc/36/28/72/207362872.db2.gz VVVQXXSMBFWFJS-IBGZPJMESA-N 1 0 382.895 3.520 1 0 GHAFRO CC(C)[NH2+]C[C@H](O)COc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1 ZINC000029557489 207364454 /nfs/dbraw/zinc/36/44/54/207364454.db2.gz XVYBBBHKHZLIOT-INIZCTEOSA-N 1 0 387.863 3.851 1 0 GHAFRO C=C(c1cc(Cl)cc(Cl)c1OC[C@@H](O)C[NH2+]C(C)(C)C)n1ccnc1 ZINC000040466467 207598788 /nfs/dbraw/zinc/59/87/88/207598788.db2.gz ICCKDLSKTSZQCC-AWEZNQCLSA-N 1 0 384.307 3.837 1 0 GHAFRO O=C(C1CC[NH+](Cc2ccncc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000058581502 208181249 /nfs/dbraw/zinc/18/12/49/208181249.db2.gz HXVJLJGKXKSYGS-UHFFFAOYSA-N 1 0 377.532 3.775 1 0 GHAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(CO)cc1 ZINC000096929254 208329498 /nfs/dbraw/zinc/32/94/98/208329498.db2.gz CPAPRJJNHUQVHS-AVRDEDQJSA-N 1 0 393.531 3.803 1 0 GHAFRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000096921257 208326730 /nfs/dbraw/zinc/32/67/30/208326730.db2.gz DUPDBRZPJSULCQ-FCLVOEFKSA-N 1 0 397.485 3.671 1 0 GHAFRO Clc1cc(-c2cnn3cc(-c4ccc(N5CC[NH2+]CC5)cc4)cnc23)ccn1 ZINC000096270786 136186046 /nfs/dbraw/zinc/18/60/46/136186046.db2.gz HYXWNQUIORDRPW-UHFFFAOYSA-N 1 0 390.878 3.521 3 0 GHAFRO OCc1cccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)c1 ZINC000073294778 222269914 /nfs/dbraw/zinc/26/99/14/222269914.db2.gz FBDFGWZOKJBJMU-UHFFFAOYSA-N 1 0 392.503 3.837 1 0 GHAFRO COc1ccccc1N1CC[NH+](CCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000028646941 206303521 /nfs/dbraw/zinc/30/35/21/206303521.db2.gz XCRLSLAYHVHAOO-UHFFFAOYSA-N 1 0 387.911 3.890 1 0 GHAFRO CN1C[C@H](CC[N@H+](C)Cc2ccccc2)Oc2ncc(Cl)cc2C1=S ZINC000026279147 207311703 /nfs/dbraw/zinc/31/17/03/207311703.db2.gz ZCGPUWYUVXETLU-INIZCTEOSA-N 1 0 375.925 3.625 1 0 GHAFRO CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OC3CCOCC3)C[N@H+](C)[C@H]1C2 ZINC000027519858 207325497 /nfs/dbraw/zinc/32/54/97/207325497.db2.gz BGNFVOVJFWHJRU-ZNLUXHQJSA-N 1 0 396.531 3.904 1 0 GHAFRO CCOC1(OCC)[C@H]2c3cccc[n+]3[C@H](c3c(OC)ccc(OC)c32)C1(C)C ZINC000027441098 207325655 /nfs/dbraw/zinc/32/56/55/207325655.db2.gz YMTDMHUARURUBA-LEWJYISDSA-N 1 0 384.496 3.835 1 0 GHAFRO CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028755602 207347839 /nfs/dbraw/zinc/34/78/39/207347839.db2.gz KCOLUCBEDAWHHB-GIQJJWITSA-N 1 0 392.543 3.793 1 0 GHAFRO NC(=O)[C@H]1CC[C@@H](C[NH+]2CCC(=C(c3ccccc3)c3ccc(F)cc3)CC2)O1 ZINC000028757949 207347938 /nfs/dbraw/zinc/34/79/38/207347938.db2.gz XEUBQMWKWUHVDM-FCHUYYIVSA-N 1 0 394.490 3.756 1 0 GHAFRO COc1cc(N)c(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000029462503 207362843 /nfs/dbraw/zinc/36/28/43/207362843.db2.gz FBRIOROCXYLFJJ-UHFFFAOYSA-N 1 0 391.874 3.921 1 0 GHAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1F ZINC000028647140 206303090 /nfs/dbraw/zinc/30/30/90/206303090.db2.gz KFPRIJSJCDYKPI-UHFFFAOYSA-N 1 0 377.410 3.645 1 0 GHAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cn(C3CCCCC3)c3ccccc3c1=O)C2 ZINC000000538018 206307777 /nfs/dbraw/zinc/30/77/77/206307777.db2.gz RFXHBILZLMJCSN-JLYLLQBASA-N 1 0 393.531 3.862 1 0 in-man GHAFRO O=S(=O)(c1cn([C@@H]2CCC[NH2+]C2)c2ccccc12)c1cccc2cccnc21 ZINC000013975497 207006642 /nfs/dbraw/zinc/00/66/42/207006642.db2.gz AQNZXINGTMSAJY-QGZVFWFLSA-N 1 0 391.496 3.947 1 0 GHAFRO O=C1CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccccc3Cl)CC2)C(=O)N1 ZINC000026005630 207309466 /nfs/dbraw/zinc/30/94/66/207309466.db2.gz BUWSTNPQZYWTCB-HSZRJFAPSA-N 1 0 396.918 3.927 1 0 GHAFRO O=C(OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1c(=O)[nH]c2ccccc21 ZINC000026177038 207310515 /nfs/dbraw/zinc/31/05/15/207310515.db2.gz PRLVXOBFRCSGHP-JWTNVVGKSA-N 1 0 377.444 3.510 1 0 GHAFRO CC(=O)NCC[n+]1c2ccccc2n2nc3c4cccc5cccc(c3cc21)c45 ZINC000026830525 207319506 /nfs/dbraw/zinc/31/95/06/207319506.db2.gz FIFJFDSQRICTJE-UHFFFAOYSA-O 1 0 379.443 3.712 1 0 GHAFRO CC(C)(O)C[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000028014465 207333801 /nfs/dbraw/zinc/33/38/01/207333801.db2.gz MADZLKNNJUPKCX-RBBKRZOGSA-N 1 0 386.486 3.930 1 0 GHAFRO CCc1cc(-c2ccccc2)cc(CC)[n+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000027996164 207333872 /nfs/dbraw/zinc/33/38/72/207333872.db2.gz NFACHYXFFSVABE-UHFFFAOYSA-N 1 0 395.548 3.656 1 0 GHAFRO C[C@@H](Oc1ccccc1)C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000028569288 207344644 /nfs/dbraw/zinc/34/46/44/207344644.db2.gz CTIGPTDKJDSSSM-HXUWFJFHSA-N 1 0 392.543 3.940 1 0 GHAFRO O=C1N[C@H](Cc2ccccc2)C2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)O1 ZINC000028762161 207348289 /nfs/dbraw/zinc/34/82/89/207348289.db2.gz OPDIRDUYVODXRR-JOCHJYFZSA-N 1 0 389.499 3.896 1 0 GHAFRO CN1CC[NH+](CCCn2c(COc3cccc(Cl)c3)nc3ccccc32)CC1 ZINC000029131310 207355826 /nfs/dbraw/zinc/35/58/26/207355826.db2.gz ITTWQYMSQAHDIB-UHFFFAOYSA-N 1 0 398.938 3.906 1 0 GHAFRO COc1cc([C@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OCC[NH3+] ZINC000084688367 208095320 /nfs/dbraw/zinc/09/53/20/208095320.db2.gz OVTIKRGLVJRWCX-INIZCTEOSA-N 1 0 384.520 3.750 1 0 GHAFRO O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCC[N@@H+](C3CC3)C2)CC1 ZINC000084713697 208098553 /nfs/dbraw/zinc/09/85/53/208098553.db2.gz HTDQROHVXBFUTQ-HNNXBMFYSA-N 1 0 394.922 3.503 1 0 GHAFRO COc1cc2c(Cc3ccc4c(c3)OCO4)ncc(C3=CCC[NH2+]3)c2cc1OC ZINC000140840878 208148903 /nfs/dbraw/zinc/14/89/03/208148903.db2.gz SVNQIVFMLUHZED-UHFFFAOYSA-N 1 0 390.439 3.906 1 0 GHAFRO C[NH+](C)[C@@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2Cl)C1 ZINC000095552552 208232443 /nfs/dbraw/zinc/23/24/43/208232443.db2.gz SPAHVDMKPPJIIG-CQSZACIVSA-N 1 0 388.920 3.951 1 0 GHAFRO Cc1ccc2oc(C(=O)N[C@@H]3C4CC[NH+](CC4)[C@H]3Cc3cccnc3)cc2c1 ZINC000095575902 208234847 /nfs/dbraw/zinc/23/48/47/208234847.db2.gz MLWYWGHZOHABMH-SIKLNZKXSA-N 1 0 375.472 3.572 1 0 GHAFRO CC1=C2C(=O)C(c3cccc(Oc4ccccc4)c3)C(=O)N[C@@H]2SC1C[NH3+] ZINC000100061333 208370938 /nfs/dbraw/zinc/37/09/38/208370938.db2.gz QYSFHHNLZHXKMT-DYESRHJHSA-N 1 0 380.469 3.800 1 0 GHAFRO CCOc1cccc(C2([NH+]3CCN(c4cncnc4)CC3)[C@@H]3CC(C)C[C@@H]32)c1 ZINC000096272393 136186105 /nfs/dbraw/zinc/18/61/05/136186105.db2.gz HJRJOUYNLRGGMJ-SVIALIIXSA-N 1 0 378.520 3.569 1 0 GHAFRO Cc1oc2ccc(N3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)cc2c1Br ZINC000095607754 222359425 /nfs/dbraw/zinc/35/94/25/222359425.db2.gz RIUTXOMDWIYWLZ-GOSISDBHSA-N 1 0 391.265 3.925 1 0 GHAFRO COc1ccc(-c2ccc3c(n[nH]c3-c3ccc(N4CC[NH2+]CC4)cc3)n2)cc1 ZINC000073129808 536897049 /nfs/dbraw/zinc/89/70/49/536897049.db2.gz HRNIERYISAXUTJ-UHFFFAOYSA-N 1 0 385.471 3.710 1 0 GHAFRO CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C2CCCCC2)cc1 ZINC000049046390 581091730 /nfs/dbraw/zinc/09/17/30/581091730.db2.gz HUSMMHLJUIXAQJ-OALUTQOASA-N 1 0 376.566 3.764 1 0 GHAFRO Cc1cccc2c1CCC[C@H]2[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000013806895 207000966 /nfs/dbraw/zinc/00/09/66/207000966.db2.gz PYQRZQXALHGAGL-JOCHJYFZSA-N 1 0 375.516 3.801 1 0 GHAFRO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cccs4)ccc3n2)CC1 ZINC000020108621 207177147 /nfs/dbraw/zinc/17/71/47/207177147.db2.gz IQNAWOZPXCRDHI-UHFFFAOYSA-N 1 0 380.517 3.999 3 0 GHAFRO COCC(=O)N(c1ccccc1F)[C@@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000026725232 207317704 /nfs/dbraw/zinc/31/77/04/207317704.db2.gz KFFVAOMYIKQBDN-GHTZIAJQSA-N 1 0 384.495 3.758 1 0 GHAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2)CCC[C@H]1C[NH+](C)C ZINC000026665738 207318045 /nfs/dbraw/zinc/31/80/45/207318045.db2.gz QSTVUAOHUFOUFR-INIZCTEOSA-N 1 0 398.528 3.868 1 0 GHAFRO Cn1c2ccccc2c2c1CC[C@H](C[NH+]1CCN(c3ccc(F)cc3)CC1)C2=O ZINC000027746396 207330041 /nfs/dbraw/zinc/33/00/41/207330041.db2.gz VGCKAIDEVPRLTJ-QGZVFWFLSA-N 1 0 391.490 3.885 1 0 GHAFRO CCOC1(OCC)[C@@H]2c3cccc[n+]3[C@@H](c3cccc(OC(C)=O)c32)C1(C)C ZINC000027517631 207325305 /nfs/dbraw/zinc/32/53/05/207325305.db2.gz BYZKOJDZNYMATH-RTWAWAEBSA-N 1 0 382.480 3.743 1 0 GHAFRO CCCCCC(=O)O[C@H]1C=C[C@@]23CC[N@@H+](C)Cc4ccc(OC)c(c42)O[C@H]3C1 ZINC000027651844 207328515 /nfs/dbraw/zinc/32/85/15/207328515.db2.gz JNVLNVAROXVOCX-LTMIRXACSA-N 1 0 385.504 3.982 1 0 GHAFRO CCCC1CCC([NH+]2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 ZINC000028388112 207340886 /nfs/dbraw/zinc/34/08/86/207340886.db2.gz PEEUFKOCRYUIOD-UHFFFAOYSA-N 1 0 391.581 3.664 1 0 GHAFRO [NH3+][C@H]1CN(C(=O)NCc2cccc(F)c2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000028899448 207350459 /nfs/dbraw/zinc/35/04/59/207350459.db2.gz QNVPHHIXMGIKDT-RDJZCZTQSA-N 1 0 382.266 3.769 1 0 GHAFRO [NH3+]CCCn1cc(C2=C(c3ccc4ccccc4c3)C(=O)NC2=O)c2ccccc21 ZINC000029125070 207356671 /nfs/dbraw/zinc/35/66/71/207356671.db2.gz UGULOSBJCMBNGM-UHFFFAOYSA-N 1 0 395.462 3.711 1 0 GHAFRO [NH2+]=C1N[C@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)C[C@H]2CCS1 ZINC000095590062 208236779 /nfs/dbraw/zinc/23/67/79/208236779.db2.gz COCAUCFPFHUGAA-MLCYQJTMSA-N 1 0 390.871 3.793 1 0 GHAFRO COc1ccc2c(c1)c(CC[NH+]1CCCCC1)cn2S(=O)(=O)c1ccccc1 ZINC000013864756 207002526 /nfs/dbraw/zinc/00/25/26/207002526.db2.gz QGHQLNRTTLQPIO-UHFFFAOYSA-N 1 0 398.528 3.915 1 0 GHAFRO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000022921739 207265096 /nfs/dbraw/zinc/26/50/96/207265096.db2.gz ZZXASMBCPXBDAW-JOCHJYFZSA-N 1 0 395.522 3.815 3 0 GHAFRO CC(=O)NCCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026188586 207309844 /nfs/dbraw/zinc/30/98/44/207309844.db2.gz IPZCCJMEYRVANJ-RBBKRZOGSA-N 1 0 385.458 3.801 1 0 GHAFRO COc1ccc2c3c1O[C@H]1C(=O)C(C)(C)[C@H](C)[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000027846739 207331520 /nfs/dbraw/zinc/33/15/20/207331520.db2.gz HYCNZTGYHODYRH-FEAWRUBTSA-N 1 0 395.543 3.986 1 0 GHAFRO C[C@@H]1[C@H]2C[C@@]34CC[C@@]2(OC1(C)C)[C@@H]1Oc2c5c(ccc2O)C[C@@H]3[N@@H+](C)CC[C@@]514 ZINC000027986910 207332666 /nfs/dbraw/zinc/33/26/66/207332666.db2.gz NXPVKARTMAUCTN-SHOIRWLHSA-N 1 0 381.516 3.635 1 0 GHAFRO c1ccc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5oc(-c6ccccc6)nc54)C[C@@H]32)cc1 ZINC000028101053 207334475 /nfs/dbraw/zinc/33/44/75/207334475.db2.gz DAWMYWHZDISQCG-UXHICEINSA-N 1 0 397.482 3.996 1 0 GHAFRO [NH3+]CCCN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc2C1 ZINC000028825860 207349831 /nfs/dbraw/zinc/34/98/31/207349831.db2.gz WUBBWETZYFTYAM-OAQYLSRUSA-N 1 0 375.516 3.835 1 0 GHAFRO COc1ccc(C2CC[NH+](CCN3CCOc4ccccc43)CC2)cc1OC ZINC000066098885 207877841 /nfs/dbraw/zinc/87/78/41/207877841.db2.gz CNSNHQYINIOGJV-UHFFFAOYSA-N 1 0 382.504 3.782 1 0 GHAFRO C[N@@H+]1CCc2c(cccc2NC(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000084690653 208098668 /nfs/dbraw/zinc/09/86/68/208098668.db2.gz GNRFEHGUXDOKAR-UHFFFAOYSA-N 1 0 387.277 3.624 1 0 GHAFRO COc1cc(/C=C/C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)ccc1O ZINC000015063380 221327411 /nfs/dbraw/zinc/32/74/11/221327411.db2.gz PLGWBVYGQNSTOJ-BWDYHRDRSA-N 1 0 382.460 3.719 1 0 GHAFRO COc1cc(/C=C/C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)ccc1O ZINC000015063379 221327980 /nfs/dbraw/zinc/32/79/80/221327980.db2.gz PLGWBVYGQNSTOJ-ROVVAWJSSA-N 1 0 382.460 3.719 1 0 GHAFRO Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1ccc(C[NH2+]Cc3ccco3)cc1-2 ZINC000049048579 581093547 /nfs/dbraw/zinc/09/35/47/581093547.db2.gz PHKMNQZRCLRHSW-UHFFFAOYSA-N 1 0 382.423 3.820 1 0 GHAFRO O=S(=O)(c1cn([C@@H]2CCC[NH2+]C2)c2ccc(F)cc12)c1cccc(F)c1 ZINC000013975494 207006752 /nfs/dbraw/zinc/00/67/52/207006752.db2.gz HDORTSZBIXHHAF-OAHLLOKOSA-N 1 0 376.428 3.677 1 0 GHAFRO CC(=O)Oc1cc2c(c(Cl)c1OC(C)=O)CC[N@@H+](C)C[C@@H]2c1ccccc1 ZINC000027107613 207322808 /nfs/dbraw/zinc/32/28/08/207322808.db2.gz IZAMFSLQLARSMP-GOSISDBHSA-N 1 0 387.863 3.810 1 0 GHAFRO Cc1ccc(C(=O)NCCN2CC[NH+]([C@@H]3CCCCc4ccccc43)CC2)cc1 ZINC000028089421 207334778 /nfs/dbraw/zinc/33/47/78/207334778.db2.gz FBMOZUSODDNNRM-XMMPIXPASA-N 1 0 391.559 3.810 1 0 GHAFRO Cc1noc2c1C(=O)C[C@H](C[NH+]1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC000028948427 207351954 /nfs/dbraw/zinc/35/19/54/207351954.db2.gz YVVDXXSBUJWADQ-ZDUSSCGKSA-N 1 0 383.423 3.888 1 0 GHAFRO CC(C)[NH2+]C[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3Cl)oc2c1 ZINC000029553704 207364449 /nfs/dbraw/zinc/36/44/49/207364449.db2.gz ZDOUQCJTPOBBAB-AWEZNQCLSA-N 1 0 387.863 3.851 1 0 GHAFRO [NH3+][C@H](CNc1nnc(-c2ccc3n[nH]cc3c2)s1)Cc1ccc(Cl)cc1 ZINC000035793257 207499547 /nfs/dbraw/zinc/49/95/47/207499547.db2.gz NHCKWRFRGQYSQI-HNNXBMFYSA-N 1 0 384.896 3.717 1 0 GHAFRO COC(=O)c1cc(Br)cnc1N1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000169303677 136197151 /nfs/dbraw/zinc/19/71/51/136197151.db2.gz RFCQQTRYBSIKEB-HNNXBMFYSA-N 1 0 396.329 3.522 1 0 GHAFRO C[NH+](C)CCNC(=O)c1cccc2ccc(-c3ccc(Br)cc3)nc21 ZINC000001613460 206387321 /nfs/dbraw/zinc/38/73/21/206387321.db2.gz IBIGCECAQXXJGE-UHFFFAOYSA-N 1 0 398.304 3.956 1 0 GHAFRO Cc1cccc2c1CCC[C@@H]2[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000013806892 207000313 /nfs/dbraw/zinc/00/03/13/207000313.db2.gz PYQRZQXALHGAGL-QFIPXVFZSA-N 1 0 375.516 3.801 1 0 GHAFRO CSc1ccc(-c2[nH]c(=O)oc2CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000026377568 207313075 /nfs/dbraw/zinc/31/30/75/207313075.db2.gz MCAYJIDKZHQBPQ-UHFFFAOYSA-N 1 0 395.528 3.722 1 0 GHAFRO O=C1NC(=O)C(c2cccc3ccsc32)=C1c1cn2c3c1cccc3C[NH2+]CC2 ZINC000028120044 207335088 /nfs/dbraw/zinc/33/50/88/207335088.db2.gz FBVOMJUDISSGGD-UHFFFAOYSA-N 1 0 399.475 3.526 1 0 GHAFRO COc1ccc2c3c1O[C@H]1C(=O)C(C)(C)[C@H](C)[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000027846747 207331285 /nfs/dbraw/zinc/33/12/85/207331285.db2.gz HYCNZTGYHODYRH-XCZZTHQXSA-N 1 0 395.543 3.986 1 0 GHAFRO COC(=O)CN1c2ccccc2C2(CC[NH+](CC3CCCCCC3)CC2)C1=O ZINC000028528403 207343399 /nfs/dbraw/zinc/34/33/99/207343399.db2.gz SOPRELXQEVIXLJ-UHFFFAOYSA-N 1 0 384.520 3.510 1 0 GHAFRO COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)[C@H](C)[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000029237624 207359107 /nfs/dbraw/zinc/35/91/07/207359107.db2.gz KMGMBUQFGRUOOM-WSRZJBSSSA-N 1 0 381.516 3.596 1 0 GHAFRO NC(=[NH2+])c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000040834147 207611808 /nfs/dbraw/zinc/61/18/08/207611808.db2.gz UYGNDEAYDITYQP-UHFFFAOYSA-N 1 0 393.834 3.524 1 0 GHAFRO Cc1cnc(Nc2ccccc2)nc1N[C@@H](CCC[NH3+])C(=O)Nc1ccccc1 ZINC000045186920 207650603 /nfs/dbraw/zinc/65/06/03/207650603.db2.gz LAVGXKUINJIFRQ-IBGZPJMESA-N 1 0 390.491 3.687 1 0 GHAFRO Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)cc1-c1nc2cc(Cl)ccc2o1 ZINC000084759299 208097654 /nfs/dbraw/zinc/09/76/54/208097654.db2.gz PVBTXZKRTQKXBX-UHFFFAOYSA-N 1 0 394.866 3.913 1 0 GHAFRO CC[NH+](CC)CCN(C)[C@@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095567243 208234455 /nfs/dbraw/zinc/23/44/55/208234455.db2.gz DKVKMKRYTMXDQC-IBGZPJMESA-N 1 0 384.528 3.537 3 0 GHAFRO CCc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(N)cc(N)[nH+]1 ZINC000096283882 208302978 /nfs/dbraw/zinc/30/29/78/208302978.db2.gz HGTYIESKNDANJV-UHFFFAOYSA-N 1 0 379.461 3.897 1 0 GHAFRO COc1ccccc1-c1cn2c([nH]1)c1c(nc2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000100928915 208383865 /nfs/dbraw/zinc/38/38/65/208383865.db2.gz ALDSRNNLHXOXMZ-UHFFFAOYSA-N 1 0 386.455 3.669 1 0 GHAFRO CC1=C2C(=O)C(c3cccc(Oc4ccccc4)c3)C(=O)N[C@H]2SC1C[NH3+] ZINC000100061335 208370691 /nfs/dbraw/zinc/37/06/91/208370691.db2.gz QYSFHHNLZHXKMT-UTKZUKDTSA-N 1 0 380.469 3.800 1 0 GHAFRO C[NH+](C)CCOC(=O)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1 ZINC000011495136 206825564 /nfs/dbraw/zinc/82/55/64/206825564.db2.gz RTRLUTZEDOHDFB-UHFFFAOYSA-N 1 0 391.515 3.776 1 0 GHAFRO Oc1ccc2c(c1)C[C@@H](n1c(CC[NH2+]Cc3ccccc3)c[nH]c1=S)CO2 ZINC000013681213 206988762 /nfs/dbraw/zinc/98/87/62/206988762.db2.gz INYLGVJSDTUSNC-GOSISDBHSA-N 1 0 381.501 3.760 1 0 GHAFRO O=C(NCCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1 ZINC000013443405 206975291 /nfs/dbraw/zinc/97/52/91/206975291.db2.gz ACSDIWKSDYFXHI-FGZHOGPDSA-N 1 0 393.506 3.570 1 0 GHAFRO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)c3cccnc3Cl)cc12 ZINC000020114333 207179453 /nfs/dbraw/zinc/17/94/53/207179453.db2.gz RELQUGCPVALMKD-UHFFFAOYSA-N 1 0 395.894 3.596 3 0 GHAFRO O=C1[C@@H]2Oc3c4c(ccc3O)C[C@@H]3[C@H](C[C@@H]1c1ccccc1)[C@@]42CC[N@@H+]3C1CC1 ZINC000026831432 207320036 /nfs/dbraw/zinc/32/00/36/207320036.db2.gz MVZKERAUBQBCCU-NDPZIEMXSA-N 1 0 387.479 3.557 1 0 GHAFRO CO[C@@H](C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1 ZINC000028569064 207344959 /nfs/dbraw/zinc/34/49/59/207344959.db2.gz PYWJQTGXTHHDHN-HSZRJFAPSA-N 1 0 392.543 3.860 1 0 GHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2c(F)c(F)c(F)c(F)c2F)C1C(=O)OC ZINC000028758009 207348648 /nfs/dbraw/zinc/34/86/48/207348648.db2.gz JRCZZONABPQJJO-JUAVFEPTSA-N 1 0 391.292 3.803 1 0 GHAFRO O=S(=O)(c1ccc2c(c1)O[C@H]1C[NH2+]CC[C@@H]21)c1cccc(Cl)c1Cl ZINC000073197509 208034497 /nfs/dbraw/zinc/03/44/97/208034497.db2.gz WCWVWPZAPIOFHS-WFASDCNBSA-N 1 0 384.284 3.664 1 0 GHAFRO CN(C)C(=O)[C@@H](Cc1ccccc1)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000084687987 208095116 /nfs/dbraw/zinc/09/51/16/208095116.db2.gz UUPXLXYQUQZBHW-FQEVSTJZSA-N 1 0 398.572 3.559 1 0 GHAFRO C[N@@H+]1CCc2cc([125I])c(O)cc2[C@@H](c2ccccc2)C1 ZINC000100057812 208371274 /nfs/dbraw/zinc/37/12/74/208371274.db2.gz JGBTWNOVLISURM-QFLNOARHSA-N 1 0 377.242 3.617 1 0 in-vitro GHAFRO COC(=O)c1cc(Br)cnc1N1CCC([NH2+]C2CCCCC2)CC1 ZINC000169341968 136197180 /nfs/dbraw/zinc/19/71/80/136197180.db2.gz BIVVISPEOMTPMF-UHFFFAOYSA-N 1 0 396.329 3.522 3 0 GHAFRO CCc1ncccc1C[C@@H]1Cc2c([C@@H](O)C[NH2+]C)ccc(O)c2CC(C)(C)C1 ZINC000085510719 291132012 /nfs/dbraw/zinc/13/20/12/291132012.db2.gz LSQGCWCQMABXBJ-MWTRTKDXSA-N 1 0 382.548 3.976 1 0 biogenic,in-vitro GHAFRO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000022921744 207266025 /nfs/dbraw/zinc/26/60/25/207266025.db2.gz ZZXASMBCPXBDAW-QFIPXVFZSA-N 1 0 395.522 3.815 3 0 GHAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccc3cc[nH]c3c2)N2CC[NH2+]CC2)cc1 ZINC000022939850 207267058 /nfs/dbraw/zinc/26/70/58/207267058.db2.gz IPRWUESTDNBXFH-HSZRJFAPSA-N 1 0 390.531 3.645 1 0 GHAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)[N@@H+]2CCCF ZINC000026829583 207318859 /nfs/dbraw/zinc/31/88/59/207318859.db2.gz NXMMKEXYZVPSRX-HZMVEIRTSA-N 1 0 384.289 3.918 1 0 GHAFRO COc1ccc(C2=NN(CCCCCC[NH3+])C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000026568988 207316704 /nfs/dbraw/zinc/31/67/04/207316704.db2.gz KWUKMXYLCKXYFJ-ROUUACIJSA-N 1 0 387.524 3.576 1 0 GHAFRO Cc1nc2nc(-c3ccc(Cl)cc3)nn2c2c1CCN2CCC[NH+]1CCCC1 ZINC000028017118 207335300 /nfs/dbraw/zinc/33/53/00/207335300.db2.gz JUFZDKKMPJPIOI-UHFFFAOYSA-N 1 0 396.926 3.602 1 0 GHAFRO COc1cc2c(cc1OC)C(C)[N+](=O)C(c1c(F)c(F)c(F)c(F)c1F)N2 ZINC000028766763 207348767 /nfs/dbraw/zinc/34/87/67/207348767.db2.gz MAJVWWZCNAXENQ-KRWDZBQOSA-N 1 0 388.292 3.843 1 0 GHAFRO [NH3+]CCCN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCc2ccccc2C1 ZINC000028825861 207350134 /nfs/dbraw/zinc/35/01/34/207350134.db2.gz WUBBWETZYFTYAM-NRFANRHFSA-N 1 0 375.516 3.835 1 0 GHAFRO CCCCOc1ccc(-c2ccc(CCC([NH3+])(CO)CO)cc2)cc1Cl ZINC000035931560 207503097 /nfs/dbraw/zinc/50/30/97/207503097.db2.gz SLERCPJHTOILKP-UHFFFAOYSA-N 1 0 377.912 3.801 1 0 GHAFRO C[NH+](C)[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2Cl)C1 ZINC000095552553 208232866 /nfs/dbraw/zinc/23/28/66/208232866.db2.gz SPAHVDMKPPJIIG-AWEZNQCLSA-N 1 0 388.920 3.951 1 0 GHAFRO [NH3+][C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000095556417 208233340 /nfs/dbraw/zinc/23/33/40/208233340.db2.gz DHVQXVCVGLLKKC-ZDUSSCGKSA-N 1 0 394.418 3.713 1 0 GHAFRO O=C1Nc2c(cccc2N2CC[NH2+]CC2)C(c2ccccc2)=N[C@H]1c1ccccc1 ZINC000095594657 136182567 /nfs/dbraw/zinc/18/25/67/136182567.db2.gz TUUFXFWVAUSILG-QHCPKHFHSA-N 1 0 396.494 3.627 1 0 GHAFRO O=C([C@H]1CC12CCN(c1ccccc1)CC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000103243004 136191035 /nfs/dbraw/zinc/19/10/35/136191035.db2.gz XVMUYUWMOBMPFR-JOCHJYFZSA-N 1 0 381.564 3.770 1 0 GHAFRO COc1cc2c(cc1OC)CN(C(=O)[C@H]([NH2+]Cc1ccccc1)C(C)(C)C)CC2 ZINC000013588127 206982830 /nfs/dbraw/zinc/98/28/30/206982830.db2.gz SKPVBSAZFYVNSU-QFIPXVFZSA-N 1 0 396.531 3.793 1 0 GHAFRO FC(F)(F)Oc1ccccc1COC[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000022926721 207264675 /nfs/dbraw/zinc/26/46/75/207264675.db2.gz RLKXIOPUSKGBMI-SFHVURJKSA-N 1 0 380.410 3.748 1 0 GHAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccc(Cl)cc2)N2CC[NH2+]CC2)cc1 ZINC000022939797 207266732 /nfs/dbraw/zinc/26/67/32/207266732.db2.gz WGQLQLVNMRNWRA-OAQYLSRUSA-N 1 0 385.939 3.817 1 0 GHAFRO Brc1ccc2ccn(CCN3CCC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000022939993 207267080 /nfs/dbraw/zinc/26/70/80/207267080.db2.gz QGGWYWMTWPTIQS-GOSISDBHSA-N 1 0 376.342 3.964 1 0 GHAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000025969960 207306581 /nfs/dbraw/zinc/30/65/81/207306581.db2.gz NJKVDHNCZXNKGW-UHFFFAOYSA-N 1 0 392.290 3.758 1 0 GHAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000025967336 207306977 /nfs/dbraw/zinc/30/69/77/207306977.db2.gz KLTBXEYFWQXDEU-UHFFFAOYSA-N 1 0 392.290 3.758 1 0 GHAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1 ZINC000026014962 207308143 /nfs/dbraw/zinc/30/81/43/207308143.db2.gz HOONAWNHGCCXLZ-MRXNPFEDSA-N 1 0 385.533 3.857 1 0 GHAFRO C[NH+]1CCC(N2c3ccc(F)cc3C(c3ccccc3Cl)=NCC2=O)CC1 ZINC000027764055 207330617 /nfs/dbraw/zinc/33/06/17/207330617.db2.gz FSZXEZOVWQKKHQ-UHFFFAOYSA-N 1 0 385.870 3.757 1 0 GHAFRO C[C@@H]([NH3+])Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 ZINC000027322324 207324756 /nfs/dbraw/zinc/32/47/56/207324756.db2.gz JUZRNJRNAILWCS-LLVKDONJSA-N 1 0 386.286 3.815 1 0 GHAFRO CO[C@H](C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1 ZINC000028569065 207344973 /nfs/dbraw/zinc/34/49/73/207344973.db2.gz PYWJQTGXTHHDHN-QHCPKHFHSA-N 1 0 392.543 3.860 1 0 GHAFRO COc1ccc([C@H]2[C@H]3C[C@H]([NH+](C)C)c4ccc(OC)cc4C3=NN2C(C)=O)cc1 ZINC000028636124 207345356 /nfs/dbraw/zinc/34/53/56/207345356.db2.gz NFJZSMOSWDCURE-FUDKSRODSA-N 1 0 393.487 3.634 1 0 GHAFRO C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(S(C)(=O)=O)cc3)[nH]2)CC1 ZINC000028470334 207342833 /nfs/dbraw/zinc/34/28/33/207342833.db2.gz IHLVKLUYJAULJS-UHFFFAOYSA-N 1 0 395.528 3.956 1 0 GHAFRO CC(=O)SCCC(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000084670341 208095180 /nfs/dbraw/zinc/09/51/80/208095180.db2.gz PGJQQPKQOLUVLK-UHFFFAOYSA-N 1 0 385.533 3.702 1 0 GHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccccc2Br)C1C(=O)OC ZINC000096900778 208324543 /nfs/dbraw/zinc/32/45/43/208324543.db2.gz CDRHECVCBMPVPX-NWCRWOLESA-N 1 0 380.238 3.870 1 0 GHAFRO C[C@@H]1CCCn2cc[n+](C[C@@H]3CC(c4ccccc4)(c4ccccc4)C(=O)O3)c21 ZINC000013651214 206987807 /nfs/dbraw/zinc/98/78/07/206987807.db2.gz YCEWYLUJYVDOOS-KNQAVFIVSA-N 1 0 387.503 3.975 1 0 GHAFRO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019770982 207160363 /nfs/dbraw/zinc/16/03/63/207160363.db2.gz BJWLIQNCLGRWFV-XGAJZPNHSA-N 1 0 388.596 3.643 1 0 GHAFRO Fc1ccc(-c2ncn(CCCC[NH+]3CCOCC3)c2-c2ccncc2)cc1 ZINC000021289950 207228627 /nfs/dbraw/zinc/22/86/27/207228627.db2.gz GLPPXWMKYPZQJS-UHFFFAOYSA-N 1 0 380.467 3.864 1 0 GHAFRO CC(=O)Oc1cc2c(c(Cl)c1OC(C)=O)CC[N@@H+](C)C[C@H]2c1ccccc1 ZINC000027107617 207322712 /nfs/dbraw/zinc/32/27/12/207322712.db2.gz IZAMFSLQLARSMP-SFHVURJKSA-N 1 0 387.863 3.810 1 0 GHAFRO C[NH+]1CCC(N2c3c(Cl)cccc3C(c3ccccc3F)=NCC2=O)CC1 ZINC000027767424 207330007 /nfs/dbraw/zinc/33/00/07/207330007.db2.gz NPCUBVJVWHDFMU-UHFFFAOYSA-N 1 0 385.870 3.757 1 0 GHAFRO Cc1ccc(NC(=O)c2nc(N3CCC[N@@H+](C)CC3)ccc2Cl)cc1F ZINC000084687972 208095420 /nfs/dbraw/zinc/09/54/20/208095420.db2.gz JSGJLMNESNGBCA-UHFFFAOYSA-N 1 0 376.863 3.577 1 0 GHAFRO COc1ccc(C(F)(F)F)c[n+]1CCCOc1ccc2c(C)cc(=O)oc2c1 ZINC000096938838 208330895 /nfs/dbraw/zinc/33/08/95/208330895.db2.gz NBIKJSUSEJLQBJ-UHFFFAOYSA-N 1 0 394.369 3.885 1 0 GHAFRO CC(C)[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095603070 222360048 /nfs/dbraw/zinc/36/00/48/222360048.db2.gz YMCDOUBWXOOFRU-IBGZPJMESA-N 1 0 378.944 3.707 3 0 GHAFRO COc1ccccc1N1CC[NH+](CCCC(=O)Nc2ccc(F)cc2F)CC1 ZINC000028647149 206304194 /nfs/dbraw/zinc/30/41/94/206304194.db2.gz UABYUWLIBPQHBS-UHFFFAOYSA-N 1 0 389.446 3.514 1 0 GHAFRO Cc1ccc([C@H]2Sc3cc(Cl)ccc3N(CC[NH+](C)C)C(=O)[C@H]2O)cc1 ZINC000027745421 207330672 /nfs/dbraw/zinc/33/06/72/207330672.db2.gz YEBLWDYGNJGSHY-RBUKOAKNSA-N 1 0 390.936 3.751 1 0 GHAFRO COc1cccc2c1C[C@H]1CCC[N@H+](C/C=C/I)[C@@H]1C2 ZINC000027416663 207325600 /nfs/dbraw/zinc/32/56/00/207325600.db2.gz FPZPTCIPFUOBLF-YIWFVGIGSA-N 1 0 383.273 3.823 1 0 GHAFRO COc1cc(N)c(Cl)cc1NC(=O)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029465823 207363435 /nfs/dbraw/zinc/36/34/35/207363435.db2.gz PUAXOMDNTGEJLE-UHFFFAOYSA-N 1 0 387.911 3.824 1 0 GHAFRO Cn1c2ccc(S(=O)(=O)c3c[nH]c4ccccc43)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000073197887 208034906 /nfs/dbraw/zinc/03/49/06/208034906.db2.gz BESNZYMZQGHFDT-ACJLOTCBSA-N 1 0 391.496 3.842 1 0 GHAFRO CN(Cc1nc2ccccc2n1C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000084466502 208090452 /nfs/dbraw/zinc/09/04/52/208090452.db2.gz XHRXIYNWBWPAAC-AVRDEDQJSA-N 1 0 389.547 3.940 1 0 GHAFRO COc1cc([C@@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OCC[NH3+] ZINC000084688368 208096343 /nfs/dbraw/zinc/09/63/43/208096343.db2.gz OVTIKRGLVJRWCX-MRXNPFEDSA-N 1 0 384.520 3.750 1 0 GHAFRO COCCS(=O)(=O)c1ccc(-c2ccc(CC[N@@H+]3CCC[C@H]3C)cc2)cc1 ZINC000073222466 222269203 /nfs/dbraw/zinc/26/92/03/222269203.db2.gz PTAZTAQXCREXPY-GOSISDBHSA-N 1 0 387.545 3.801 1 0 GHAFRO COc1ccc(C2=NN(CCCCCC[NH3+])C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000013474093 206976602 /nfs/dbraw/zinc/97/66/02/206976602.db2.gz KWUKMXYLCKXYFJ-ZWKOTPCHSA-N 1 0 387.524 3.576 1 0 GHAFRO O=C(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026821117 207319600 /nfs/dbraw/zinc/31/96/00/207319600.db2.gz HCDKOXNCGOEUPF-APWZRJJASA-N 1 0 390.487 3.967 1 0 GHAFRO CCc1ccc2c(c1)oc(=O)c1c2CCN(CC[NH+]2CC3CCC(CC3)C2)C1 ZINC000027746339 207330906 /nfs/dbraw/zinc/33/09/06/207330906.db2.gz KOMZDRBCLUTVAK-UHFFFAOYSA-N 1 0 380.532 3.836 1 0 GHAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[NH2+]2 ZINC000027206949 207324925 /nfs/dbraw/zinc/32/49/25/207324925.db2.gz MFVHRXXVTQSVAV-ZGXWSNOMSA-N 1 0 387.426 3.753 1 0 GHAFRO COc1cc2ncnc(N3CC[NH+]([C@@H](C)c4ccccc4)CC3)c2cc1OC ZINC000028824583 207349436 /nfs/dbraw/zinc/34/94/36/207349436.db2.gz IYEYFZMBKDLGTM-INIZCTEOSA-N 1 0 378.476 3.530 1 0 GHAFRO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H]1CCCCc3ccccc31)CC2 ZINC000028886243 207352088 /nfs/dbraw/zinc/35/20/88/207352088.db2.gz FSQXIBWOJFQYMW-JOCHJYFZSA-N 1 0 375.516 3.883 1 0 GHAFRO COc1cc(N)c(Cl)cc1NC(=O)C1CC[NH+](Cc2ccsc2)CC1 ZINC000029468581 207362055 /nfs/dbraw/zinc/36/20/55/207362055.db2.gz MCKPLAWTTWTKMS-UHFFFAOYSA-N 1 0 379.913 3.843 1 0 GHAFRO CC(C)(C[NH3+])CNc1nc(Nc2cccc(F)c2)nc(-c2cccc(F)c2)n1 ZINC000045358727 207657240 /nfs/dbraw/zinc/65/72/40/207657240.db2.gz ARCFAKOKWCBFEU-UHFFFAOYSA-N 1 0 384.434 3.957 1 0 GHAFRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000045245098 207654635 /nfs/dbraw/zinc/65/46/35/207654635.db2.gz DJEDYNVJZQDFIJ-SFHVURJKSA-N 1 0 383.410 3.548 1 0 GHAFRO CCO[C@H]1CC[C@](C)([NH+]2CCC(n3c4cc(OC)ccc4oc3=O)CC2)CC1 ZINC000101638129 208396620 /nfs/dbraw/zinc/39/66/20/208396620.db2.gz VBAJEBMVDLIJME-LMTLIKQPSA-N 1 0 388.508 3.978 1 0 GHAFRO COc1ccc(C[C@H]2CC[C@H](Cc3ccc(OC)c(OC)c3)C2[NH3+])cc1OC ZINC000169326535 208730536 /nfs/dbraw/zinc/73/05/36/208730536.db2.gz HSGZPLURBUONQI-QZTJIDSGSA-N 1 0 385.504 3.860 1 0 GHAFRO COc1cccc(OC)c1[C@H]1CC[C@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000100085804 136188927 /nfs/dbraw/zinc/18/89/27/136188927.db2.gz NYWPLIFCHQRPAI-KDURUIRLSA-N 1 0 381.520 3.947 1 0 GHAFRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(CN(C)c1ccc(Cl)cc1)CN2 ZINC000025995029 207308844 /nfs/dbraw/zinc/30/88/44/207308844.db2.gz WFGUUZFDPSFSLK-UHFFFAOYSA-N 1 0 388.859 3.520 1 0 GHAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnc2cc(Cl)c(F)cc2c1O ZINC000026392636 207313101 /nfs/dbraw/zinc/31/31/01/207313101.db2.gz YOMYXCMCBHWENA-GFCCVEGCSA-N 1 0 381.879 3.561 1 0 GHAFRO O=S(=O)(c1ccc(Cl)s1)c1cn([C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000028862413 207349616 /nfs/dbraw/zinc/34/96/16/207349616.db2.gz XNJBCLZUQVQMEM-NSHDSACASA-N 1 0 381.910 3.509 1 0 GHAFRO CC(C)[NH2+]C[C@H](O)COc1ccc2c(=O)cc(-c3cccc(Cl)c3)oc2c1 ZINC000029553698 207364318 /nfs/dbraw/zinc/36/43/18/207364318.db2.gz UGLICYWYWGOYJR-INIZCTEOSA-N 1 0 387.863 3.851 1 0 GHAFRO NC(=O)C1CC[NH+](CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1 ZINC000040895860 207613216 /nfs/dbraw/zinc/61/32/16/207613216.db2.gz GASFBYAFWRDSPG-UHFFFAOYSA-N 1 0 381.501 3.828 1 0 GHAFRO CC[C@]12C=C[C@@H](CC(C)=O)[N@@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000084615661 208092625 /nfs/dbraw/zinc/09/26/25/208092625.db2.gz JRXQFQWABJSNMW-GRYKHCQJSA-N 1 0 392.499 3.569 1 0 GHAFRO C[NH+](C)Cc1cc(I)ccc1Sc1ccccc1CO ZINC000095593824 208237021 /nfs/dbraw/zinc/23/70/21/208237021.db2.gz XXMFGLMOHJMNJJ-UHFFFAOYSA-N 1 0 399.297 3.996 1 0 GHAFRO CCOc1cccc(C2([NH+]3CCN(c4ncccn4)CC3)[C@@H]3CC(C)C[C@@H]32)c1 ZINC000096272385 136186001 /nfs/dbraw/zinc/18/60/01/136186001.db2.gz VSPNPZKEIVMPBE-PKNONZTCSA-N 1 0 378.520 3.569 1 0 GHAFRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCc3cccnc3)CC2)c(F)c1 ZINC000013596071 210071138 /nfs/dbraw/zinc/07/11/38/210071138.db2.gz CTKCBPVBIQOORB-UHFFFAOYSA-N 1 0 396.466 3.801 3 0 GHAFRO CC[NH+](CC)CCCNC(=O)c1oc2ccc3c(c2c1C)[C@@H](O)CC(C)(C)O3 ZINC000006940574 209709508 /nfs/dbraw/zinc/70/95/08/209709508.db2.gz SGZHCKBOXZLVNO-HNNXBMFYSA-N 1 0 388.508 3.797 3 0 GHAFRO O=c1ccoc2ccc(-c3nnc(N4CCC([NH+]5CCCCC5)CC4)s3)cc12 ZINC000084634124 211171960 /nfs/dbraw/zinc/17/19/60/211171960.db2.gz PNZDIUZVTSJTRC-UHFFFAOYSA-N 1 0 396.516 3.766 1 0 GHAFRO O=C(C1CC1)N1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186445 211083932 /nfs/dbraw/zinc/08/39/32/211083932.db2.gz TWNBIFROENXQMY-LJQANCHMSA-N 1 0 389.421 3.744 1 0 GHAFRO CCOC(=O)c1c(N2CC[NH+](C)CC2)nc2ccccc2c1-c1ccccc1 ZINC000013797119 210092002 /nfs/dbraw/zinc/09/20/02/210092002.db2.gz MBTKDDNUICOKHY-UHFFFAOYSA-N 1 0 375.472 3.830 1 0 GHAFRO CS(=O)(=O)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000003955927 209456827 /nfs/dbraw/zinc/45/68/27/209456827.db2.gz GKVKQIYBEVGLPA-UHFFFAOYSA-N 1 0 398.572 3.914 1 0 GHAFRO O=C(c1cnccn1)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955819 209456722 /nfs/dbraw/zinc/45/67/22/209456722.db2.gz PQYPOYDZKJZZNV-UHFFFAOYSA-N 1 0 398.510 3.804 1 0 GHAFRO CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccc(F)c2)c1C[NH3+] ZINC000072179728 211081531 /nfs/dbraw/zinc/08/15/31/211081531.db2.gz JQOASVGBJHCDMC-UHFFFAOYSA-N 1 0 381.451 3.562 1 0 GHAFRO C[NH+](C)CCCOc1cc(C(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1 ZINC000026025753 210489545 /nfs/dbraw/zinc/48/95/45/210489545.db2.gz HYYBSXGTEGTDCV-UHFFFAOYSA-N 1 0 396.466 3.653 1 0 GHAFRO Nc1nccc(-c2[nH]c(C3CC[NH2+]CC3)nc2-c2cccc(C(F)(F)F)c2)n1 ZINC000004617900 581098399 /nfs/dbraw/zinc/09/83/99/581098399.db2.gz CZEBZOHAXRSHBJ-UHFFFAOYSA-N 1 0 388.397 3.602 1 0 GHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(Br)c2)C1C(=O)OC ZINC000019288223 210238399 /nfs/dbraw/zinc/23/83/99/210238399.db2.gz WQHQBUWUHKXEKS-WSTOHFRZSA-N 1 0 380.238 3.870 1 0 GHAFRO [NH3+]CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O ZINC000005808456 209232401 /nfs/dbraw/zinc/23/24/01/209232401.db2.gz RGHBZBPTJLDUKC-UHFFFAOYSA-N 1 0 396.494 3.606 1 0 GHAFRO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccc(-c2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000023311838 209175963 /nfs/dbraw/zinc/17/59/63/209175963.db2.gz UTQVJRVNJWBIQY-UHFFFAOYSA-N 1 0 391.397 3.840 1 0 GHAFRO CCn1c2ccccc2n([C@@H]2CC[N@H+](C[C@@H]3CCCCC3(C)C)C[C@H]2CO)c1=O ZINC000096903206 211351353 /nfs/dbraw/zinc/35/13/53/211351353.db2.gz YQLKPNPSGRHTHH-SLFFLAALSA-N 1 0 399.579 3.895 1 0 GHAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cc1Cl ZINC000095571817 211278629 /nfs/dbraw/zinc/27/86/29/211278629.db2.gz BAFBQYNOMPRHPB-RBUKOAKNSA-N 1 0 390.314 3.824 1 0 GHAFRO O=S(=O)(Cc1ccc2c(c1)CC[NH2+]CC2)c1ccc(-c2ccc(F)cc2)nc1 ZINC000048999028 210857565 /nfs/dbraw/zinc/85/75/65/210857565.db2.gz MSCYJFQRYSADGM-UHFFFAOYSA-N 1 0 396.487 3.550 1 0 GHAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2)CCC[C@@H]1C[NH+](C)C ZINC000026665743 210503042 /nfs/dbraw/zinc/50/30/42/210503042.db2.gz QSTVUAOHUFOUFR-MRXNPFEDSA-N 1 0 398.528 3.868 1 0 GHAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)c2cccs2)cc1Cl ZINC000025976045 210488010 /nfs/dbraw/zinc/48/80/10/210488010.db2.gz WBEJBAFFWFWTGI-CYBMUJFWSA-N 1 0 382.913 3.782 1 0 GHAFRO CCOc1ccc2nc(CN3CC[N@@H+](C4CCCCC4)[C@@H](CCO)C3)ccc2c1 ZINC000020598625 210350003 /nfs/dbraw/zinc/35/00/03/210350003.db2.gz YBZCGBRNKJHPAM-QFIPXVFZSA-N 1 0 397.563 3.835 1 0 GHAFRO CCOC(=O)Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1-c1ccccc1 ZINC000013797125 210091442 /nfs/dbraw/zinc/09/14/42/210091442.db2.gz CQNZQTLNAJWVOA-UHFFFAOYSA-N 1 0 389.499 3.759 1 0 GHAFRO Cc1ccc(OC2CC[NH+](CCN3CCCc4ccccc4C3=O)CC2)cc1 ZINC000013488307 210063169 /nfs/dbraw/zinc/06/31/69/210063169.db2.gz RUASDIGOQCCMGT-UHFFFAOYSA-N 1 0 378.516 3.927 1 0 GHAFRO COc1ccc([C@@H]2Cc3c(OC)cccc3N(CC[NH+](C)C)C(=O)[C@@H]2C)cc1 ZINC000013450671 210061035 /nfs/dbraw/zinc/06/10/35/210061035.db2.gz KIGPLKABIFRXMD-VQIMIIECSA-N 1 0 382.504 3.574 1 0 GHAFRO C[C@]12C[C@@H]3C=C[C@H]1[C@@H](O)[C@@]14C[C@H]5CCC[NH2+][C@H]5[C@H]5CCC[C@]51C[C@H]4[C@@](O)(C3)C2 ZINC000085547429 291133738 /nfs/dbraw/zinc/13/37/38/291133738.db2.gz OLZJRUWSUXWPRB-QXTMNKLWSA-N 1 0 383.576 3.649 1 0 biogenic,in-vitro GHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(Br)c2)C1C(=O)OC ZINC000100025743 211382028 /nfs/dbraw/zinc/38/20/28/211382028.db2.gz WQHQBUWUHKXEKS-NWCRWOLESA-N 1 0 380.238 3.870 1 0 GHAFRO Cc1c2cc(F)ccc2oc1C(=O)N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1 ZINC000095578223 211278617 /nfs/dbraw/zinc/27/86/17/211278617.db2.gz YTCKDPPOQBIMBR-PZJWPPBQSA-N 1 0 393.462 3.711 1 0 GHAFRO COc1cccc2c(CC[NH3+])cn(S(=O)(=O)c3ccc4ccccc4c3)c21 ZINC000028467505 210528667 /nfs/dbraw/zinc/52/86/67/210528667.db2.gz TZEWKUXAIYVAHF-UHFFFAOYSA-N 1 0 380.469 3.541 1 0 GHAFRO O=C1NCN(C2CCCC2)C12CC[NH+]([C@H]1CCCC[C@H]1c1ccccc1)CC2 ZINC000028564197 210529556 /nfs/dbraw/zinc/52/95/56/210529556.db2.gz QRKPPPGKRFLBQU-VXKWHMMOSA-N 1 0 381.564 3.879 1 0 GHAFRO COc1cc(O)c([C@@H](CC[NH+]2CCCC2)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000013661634 210075052 /nfs/dbraw/zinc/07/50/52/210075052.db2.gz JZYLQZMZJWNXOJ-KRWDZBQOSA-N 1 0 385.460 3.756 3 0 GHAFRO CNc1cc(OC)c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC000013553236 210066949 /nfs/dbraw/zinc/06/69/49/210066949.db2.gz DCJWAUUNGWWIFD-KUHUBIRLSA-N 1 0 387.911 3.641 1 0 GHAFRO O=c1[nH]c(-c2ccc(F)cc2)c(CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000026294411 209243160 /nfs/dbraw/zinc/24/31/60/209243160.db2.gz RUDVNLIUODSIIS-UHFFFAOYSA-N 1 0 381.451 3.529 1 0 GHAFRO O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000040379744 209194300 /nfs/dbraw/zinc/19/43/00/209194300.db2.gz WCGQRYASVNTPIS-UHFFFAOYSA-N 1 0 386.499 3.997 1 0 GHAFRO CC(C)[C@H](C(=O)NC1CCCC1)[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095603071 211282201 /nfs/dbraw/zinc/28/22/01/211282201.db2.gz YMCDOUBWXOOFRU-LJQANCHMSA-N 1 0 378.944 3.707 3 0 GHAFRO [NH2+]=C1N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)C[C@H]2CCS1 ZINC000095590063 211280026 /nfs/dbraw/zinc/28/00/26/211280026.db2.gz COCAUCFPFHUGAA-MGNBDDOMSA-N 1 0 390.871 3.793 1 0 in-vitro GHAFRO CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCC[NH+](C)C)c1ccccc1 ZINC000028951397 210538501 /nfs/dbraw/zinc/53/85/01/210538501.db2.gz ZZLRBKFHORVSEX-JTHBVZDNSA-N 1 0 395.478 3.632 1 0 GHAFRO O=S(=O)(Oc1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1)c1c(F)cccc1F ZINC000028474435 221678589 /nfs/dbraw/zinc/67/85/89/221678589.db2.gz VYCLRWMLOXLEMB-UHFFFAOYSA-N 1 0 392.427 3.681 1 0 GHAFRO CCCC[NH+]1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 ZINC000064548813 336463628 /nfs/dbraw/zinc/46/36/28/336463628.db2.gz WKWADEWWLCVVLF-UHFFFAOYSA-N 1 0 396.915 3.822 1 0 GHAFRO O=C(C[C@@H]1CC[N@H+](CCOc2cccc3c2OCCO3)C1)c1ccc(F)cc1 ZINC000003823479 560189830 /nfs/dbraw/zinc/18/98/30/560189830.db2.gz DXBFVLGYPFUTEZ-INIZCTEOSA-N 1 0 385.435 3.571 1 0 in-vitro GHAFRO CCOC(=O)c1cccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1 ZINC000006877195 209700916 /nfs/dbraw/zinc/70/09/16/209700916.db2.gz ICHGSKAWVRWXAC-UHFFFAOYSA-N 1 0 387.524 3.839 1 0 GHAFRO Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)c3ccccc3)c(=O)oc21 ZINC000095584218 211280594 /nfs/dbraw/zinc/28/05/94/211280594.db2.gz PBXBHYYEJJQPEZ-UHFFFAOYSA-N 1 0 392.455 3.827 1 0 GHAFRO C[NH2+]Cc1cc(-c2ccccc2C(F)(F)F)n(S(=O)(=O)c2cccnc2)c1 ZINC000084688269 211173555 /nfs/dbraw/zinc/17/35/55/211173555.db2.gz KCVSUHLUTNRMRE-UHFFFAOYSA-N 1 0 395.406 3.525 1 0 GHAFRO CC(C)([NH3+])C(=O)N1CCn2c(nc(-c3ccccc3)c2Nc2ccc(F)cc2)C1 ZINC000072109033 211069055 /nfs/dbraw/zinc/06/90/55/211069055.db2.gz ZJQOMUFAPNLITL-UHFFFAOYSA-N 1 0 393.466 3.512 1 0 GHAFRO [NH3+]Cc1ccncc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000066103203 211002464 /nfs/dbraw/zinc/00/24/64/211002464.db2.gz JKNFQSCHMHWAQV-QFIPXVFZSA-N 1 0 398.514 3.891 1 0 GHAFRO COc1ccc(CN2CC[NH+](Cc3csc(C)c3C)CC2)c(OC)c1OC ZINC000020514372 210343856 /nfs/dbraw/zinc/34/38/56/210343856.db2.gz YBDOVWGHWHUJTR-UHFFFAOYSA-N 1 0 390.549 3.709 1 0 GHAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000084616903 136175026 /nfs/dbraw/zinc/17/50/26/136175026.db2.gz NQRMAIQQUZVZOY-UHFFFAOYSA-N 1 0 382.851 3.657 1 0 GHAFRO CC1=C2C(=O)C(c3cccc(Oc4ccccc4)c3)C(=O)N[C@@H]2SC1C[NH3+] ZINC000100061326 211382419 /nfs/dbraw/zinc/38/24/19/211382419.db2.gz QYSFHHNLZHXKMT-LAUBAEHRSA-N 1 0 380.469 3.800 1 0 GHAFRO COc1cccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)n1 ZINC000073298767 211126786 /nfs/dbraw/zinc/12/67/86/211126786.db2.gz BEYMZVUPYAOIOB-UHFFFAOYSA-N 1 0 393.491 3.748 1 0 GHAFRO COc1ccc([C@@H](NC(=O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1F ZINC000072179045 211082400 /nfs/dbraw/zinc/08/24/00/211082400.db2.gz GMMUHXJPOVGLQA-QFIPXVFZSA-N 1 0 393.462 3.853 1 0 GHAFRO CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000072118740 211070096 /nfs/dbraw/zinc/07/00/96/211070096.db2.gz HYVLLMHHSJIFSU-QHCPKHFHSA-N 1 0 389.499 3.909 1 0 GHAFRO Cc1cccc2nc(C)n(-c3ccc(OCCC[NH+]4CCCC4)cc3)c(=O)c12 ZINC000038215167 210754000 /nfs/dbraw/zinc/75/40/00/210754000.db2.gz OFUFETJGPBSGND-UHFFFAOYSA-N 1 0 377.488 3.867 1 0 GHAFRO O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1C1CC[NH2+]CC1 ZINC000027754701 210517325 /nfs/dbraw/zinc/51/73/25/210517325.db2.gz KMZCJTJGIJWJDJ-UHFFFAOYSA-N 1 0 388.298 3.929 1 0 GHAFRO O=C(C[C@H]1CC[N@H+](CCOc2cccc3c2OCCO3)C1)c1ccc(F)cc1 ZINC000000600676 560178473 /nfs/dbraw/zinc/17/84/73/560178473.db2.gz DXBFVLGYPFUTEZ-MRXNPFEDSA-N 1 0 385.435 3.571 1 0 in-vitro GHAFRO COC(=O)C[C@H]1C[C@H]2C[C@@H]1C[N@@H+]2CCOc1ccc(Cc2ccccc2)cc1 ZINC000027076513 581097676 /nfs/dbraw/zinc/09/76/76/581097676.db2.gz TVCGRKCLHRKUMS-VSKRKVRLSA-N 1 0 379.500 3.930 1 0 GHAFRO C[NH2+]CC[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)c1ccccc1 ZINC000013799650 210091651 /nfs/dbraw/zinc/09/16/51/210091651.db2.gz RFHPREVODUNBJW-FQEVSTJZSA-N 1 0 397.544 3.535 1 0 GHAFRO Clc1cccc2c1C[C@@H]2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013743681 210088169 /nfs/dbraw/zinc/08/81/69/210088169.db2.gz QFPINXSNMPERFF-INIZCTEOSA-N 1 0 384.907 3.963 1 0 GHAFRO Cc1ccc2n(C[C@H]3CC(c4ccccc4)(c4ccccc4)C(=O)O3)cc[n+]2c1 ZINC000013651193 210076800 /nfs/dbraw/zinc/07/68/00/210076800.db2.gz IOCLYBLXGUSCOD-JOCHJYFZSA-N 1 0 383.471 3.837 1 0 GHAFRO COc1cccc(N2CC[NH+](CCCC(=O)Nc3ccc(F)cc3F)CC2)c1 ZINC000028647152 209242875 /nfs/dbraw/zinc/24/28/75/209242875.db2.gz XCEFMYDYCNYFIX-UHFFFAOYSA-N 1 0 389.446 3.514 1 0 GHAFRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[NH+]4CCC[C@H]([C@H]2CCCC(=O)[O-])[C@H]34)c1 ZINC000072113424 211069182 /nfs/dbraw/zinc/06/91/82/211069182.db2.gz RBBTWDDDJVXIGD-NQAVQENRSA-N 1 0 386.536 3.625 1 0 GHAFRO CCOc1ccc2c(c1)[nH+]c1c(c2NNS(=O)(=O)c2ccccc2)CCCC1 ZINC000071341695 211047678 /nfs/dbraw/zinc/04/76/78/211047678.db2.gz CIHQMWXACUCYMF-UHFFFAOYSA-N 1 0 397.500 3.818 1 0 GHAFRO COc1cc(N(C)C)c(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000028236119 210523163 /nfs/dbraw/zinc/52/31/63/210523163.db2.gz ZJWBHBCFPVBQAE-CQSZACIVSA-N 1 0 379.932 3.551 1 0 GHAFRO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)c3ccccc3F)cc12 ZINC000020114335 210318176 /nfs/dbraw/zinc/31/81/76/210318176.db2.gz JRBRAHPRSHDEIF-UHFFFAOYSA-N 1 0 378.451 3.686 3 0 GHAFRO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000011668113 221119711 /nfs/dbraw/zinc/11/97/11/221119711.db2.gz GIHCCPWCSBOWPR-GOSISDBHSA-N 1 0 389.455 3.696 3 0 GHAFRO O=S(=O)(c1ccc(Cl)s1)n1cc(C2=CC[NH2+]CC2)c2ccccc21 ZINC000028130048 221668368 /nfs/dbraw/zinc/66/83/68/221668368.db2.gz ZMARUYAGTVNWCS-UHFFFAOYSA-N 1 0 378.906 3.970 1 0 GHAFRO CC(C)Oc1ccc([C@H](c2cccnc2)[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000072103661 222205238 /nfs/dbraw/zinc/20/52/38/222205238.db2.gz VBWLSGUENACLCS-HSZRJFAPSA-N 1 0 393.531 3.949 1 0 GHAFRO C[NH+](C)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1 ZINC000014944235 210131460 /nfs/dbraw/zinc/13/14/60/210131460.db2.gz ZGAIQKMSOMVUIS-UHFFFAOYSA-N 1 0 391.306 3.944 1 0 GHAFRO COc1ccc2c(c1)c(CC[NH+](C)C)cn2S(=O)(=O)c1cccc(Cl)c1 ZINC000013864748 210095728 /nfs/dbraw/zinc/09/57/28/210095728.db2.gz HMVDWYPJGVKJPZ-UHFFFAOYSA-N 1 0 392.908 3.644 1 0 GHAFRO Cn1cc[n+](C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1C(C)(C)C ZINC000013651163 210075778 /nfs/dbraw/zinc/07/57/78/210075778.db2.gz YQFDJYKGIQHDTQ-OAQYLSRUSA-N 1 0 389.519 3.912 1 0 GHAFRO COc1ccccc1N1CC[NH+](C[C@H]2Cc3[nH]c4ccccc4c3C(=O)C2)CC1 ZINC000013471717 210062593 /nfs/dbraw/zinc/06/25/93/210062593.db2.gz IHQJQJGQVPNKSI-KRWDZBQOSA-N 1 0 389.499 3.744 1 0 GHAFRO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@H]2C)CC[NH2+]C3 ZINC000013439542 210061750 /nfs/dbraw/zinc/06/17/50/210061750.db2.gz YZZGMPVDMKVAIZ-JTQLQIEISA-N 1 0 383.908 3.848 1 0 GHAFRO O=c1nc2c(c3[nH]c(-c4cc(F)ccc4F)cn31)C[N@H+](Cc1ccccc1)CC2 ZINC000013492022 210063604 /nfs/dbraw/zinc/06/36/04/210063604.db2.gz IJEIUAOJSNXXSC-UHFFFAOYSA-N 1 0 392.409 3.938 1 0 GHAFRO Cc1cc(N2CCCC2)nc(N2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)[nH+]1 ZINC000013150656 210054107 /nfs/dbraw/zinc/05/41/07/210054107.db2.gz GLAILRRRRZFJII-QIDMFYOTSA-N 1 0 382.483 3.543 1 0 GHAFRO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 ZINC000095586363 211281035 /nfs/dbraw/zinc/28/10/35/211281035.db2.gz AEJOTVGHCRQIAC-LJQANCHMSA-N 1 0 393.878 3.860 1 0 GHAFRO [NH3+][C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 ZINC000095586402 211280421 /nfs/dbraw/zinc/28/04/21/211280421.db2.gz MZNGIVDQGHKNNT-MRXNPFEDSA-N 1 0 399.376 3.575 1 0 GHAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1cc2cc(Cl)ccc2o1 ZINC000095573848 211278583 /nfs/dbraw/zinc/27/85/83/211278583.db2.gz YQRNOVVTYJEJEA-GHTZIAJQSA-N 1 0 395.890 3.917 1 0 GHAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccc2)o1 ZINC000095572235 211278900 /nfs/dbraw/zinc/27/89/00/211278900.db2.gz VRIUSFWMULLAHX-NZQKXSOJSA-N 1 0 387.483 3.777 1 0 GHAFRO COc1cc(OC)cc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1 ZINC000066251248 211002703 /nfs/dbraw/zinc/00/27/03/211002703.db2.gz OREPPBSXRWEVOL-UHFFFAOYSA-N 1 0 388.537 3.677 1 0 GHAFRO CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000029043664 210540592 /nfs/dbraw/zinc/54/05/92/210540592.db2.gz NYUZDKGLLIPTMX-RPWUZVMVSA-N 1 0 391.559 3.993 1 0 GHAFRO FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CC[NH2+]CC4)nn32)c1 ZINC000073293120 222269920 /nfs/dbraw/zinc/26/99/20/222269920.db2.gz AUOKUOLENNHANL-UHFFFAOYSA-N 1 0 391.397 3.706 1 0 GHAFRO [NH3+]CCC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCC1 ZINC000036184682 581098593 /nfs/dbraw/zinc/09/85/93/581098593.db2.gz HRTBWTOXJOXCCB-QFIPXVFZSA-N 1 0 398.457 3.835 1 0 GHAFRO COc1ccc(CC2(CO)CC[NH+](Cc3nc4ccccc4nc3C)CC2)cc1 ZINC000014972027 210136142 /nfs/dbraw/zinc/13/61/42/210136142.db2.gz PFNVHKBBOHGDTF-UHFFFAOYSA-N 1 0 391.515 3.764 1 0 GHAFRO [NH3+][C@H]1CC(C[NH+]2CCC(C(=O)[O-])CC2)=CC[C@@H]1c1ccc(Cl)cc1Cl ZINC000014950355 210131846 /nfs/dbraw/zinc/13/18/46/210131846.db2.gz NLSWFZHBWNRSRW-AEFFLSMTSA-N 1 0 383.319 3.921 1 0 GHAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1cc(=O)n(-c3ccccc3)c3ccccc13)C2 ZINC000013731398 210087012 /nfs/dbraw/zinc/08/70/12/210087012.db2.gz KVZMEHFWYSSLSJ-DFNIBXOVSA-N 1 0 388.467 3.773 1 0 GHAFRO CC(C)CCn1c(=O)cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000013731385 210086256 /nfs/dbraw/zinc/08/62/56/210086256.db2.gz HHJYVRDQZKTSRP-JWTNVVGKSA-N 1 0 382.504 3.830 1 0 GHAFRO C[C@@H]1CCCc2n1cc[n+]2C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651204 210075571 /nfs/dbraw/zinc/07/55/71/210075571.db2.gz FLUWGDARPVNRAU-DENIHFKCSA-N 1 0 387.503 3.975 1 0 GHAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000095578767 211278556 /nfs/dbraw/zinc/27/85/56/211278556.db2.gz VWRPUTHGEXQRJZ-RBUKOAKNSA-N 1 0 390.314 3.824 1 0 GHAFRO [NH3+]Cc1ccc2c(c1)C1(CO2)CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000029126161 210541578 /nfs/dbraw/zinc/54/15/78/210541578.db2.gz CSLIQZDKQLWKLT-UHFFFAOYSA-N 1 0 388.467 3.972 1 0 GHAFRO C[N@@H+]1CCC[C@@H]1CCN1c2ccc(NC(=N)c3cccs3)cc2CCC1=O ZINC000073159842 536370215 /nfs/dbraw/zinc/37/02/15/536370215.db2.gz HCUBLNYMRSOIMI-QGZVFWFLSA-N 1 0 382.533 3.949 1 0 GHAFRO C=CC(=O)NC1=CC=C2N=CNC(=[NH+]c3ccc(OCc4ccccc4)cc3)[C@H]21 ZINC000049538659 581095132 /nfs/dbraw/zinc/09/51/32/581095132.db2.gz UKNWFYOHYKRONV-JOCHJYFZSA-N 1 0 384.439 3.818 1 0 GHAFRO C[NH+](C)CCCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21 ZINC000013684186 210079706 /nfs/dbraw/zinc/07/97/06/210079706.db2.gz ACNITJMLOMTVSK-UHFFFAOYSA-N 1 0 386.503 3.860 1 0 GHAFRO C[NH2+]CCc1ccc(Oc2ccc(OC)cc2)c(I)c1 ZINC000013681072 210078105 /nfs/dbraw/zinc/07/81/05/210078105.db2.gz OZOBQTCQUKATKC-UHFFFAOYSA-N 1 0 383.229 3.854 1 0 GHAFRO C[C@H]1CCn2cc[n+](C[C@H]3CC(c4ccccc4)(c4ccccc4)C(=O)O3)c2C1 ZINC000013651213 210075754 /nfs/dbraw/zinc/07/57/54/210075754.db2.gz RMJUNYMDRYJSJL-SIKLNZKXSA-N 1 0 387.503 3.660 1 0 GHAFRO CCCC[NH2+]CC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 ZINC000033823685 209244039 /nfs/dbraw/zinc/24/40/39/209244039.db2.gz MGIRIOOCTAFDIA-NRFANRHFSA-N 1 0 379.504 3.512 1 0 GHAFRO CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000013884221 209233792 /nfs/dbraw/zinc/23/37/92/209233792.db2.gz RJZLPXDYXSPJSS-QGZVFWFLSA-N 1 0 377.488 4.000 1 0 in-man GHAFRO COc1ccc(-c2cn3c([nH]2)c2c(nc3=O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000100928914 211395221 /nfs/dbraw/zinc/39/52/21/211395221.db2.gz BSEOVPIAKAXQST-UHFFFAOYSA-N 1 0 386.455 3.669 1 0 GHAFRO c1ccc(N2CC[NH+]([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 ZINC000170112562 136198738 /nfs/dbraw/zinc/19/87/38/136198738.db2.gz DWWIACJQSFOAOL-DEOSSOPVSA-N 1 0 398.626 3.844 1 0 GHAFRO Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)cc[nH+]1 ZINC000040974770 581098480 /nfs/dbraw/zinc/09/84/80/581098480.db2.gz GFUOJJQVQAOAKK-UHFFFAOYSA-N 1 0 398.369 3.702 1 0 GHAFRO COc1ccc2c(c1)c(CC[NH+](C)C)cn2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013864749 210095236 /nfs/dbraw/zinc/09/52/36/210095236.db2.gz CGLZSUIRHPCPLB-UHFFFAOYSA-N 1 0 392.908 3.644 1 0 GHAFRO Cc1ccc(-n2cccn2)c(C[NH+]2CCC(CO)(C[C@@H]3CCCCO3)CC2)c1 ZINC000012835695 210017165 /nfs/dbraw/zinc/01/71/65/210017165.db2.gz PUMWKPFXIIGNSJ-NRFANRHFSA-N 1 0 383.536 3.714 1 0 GHAFRO COc1ccc(-c2cnn3c2nc(OCCC[NH+](C)C)c2ccccc23)cc1 ZINC000096933161 211352772 /nfs/dbraw/zinc/35/27/72/211352772.db2.gz NSYJSVYUODNUHQ-UHFFFAOYSA-N 1 0 376.460 3.889 1 0 GHAFRO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccnc4c(F)cccc34)cc2)CC1 ZINC000071335318 211047620 /nfs/dbraw/zinc/04/76/20/211047620.db2.gz GZUVOPMPNBXJIQ-UHFFFAOYSA-N 1 0 379.439 3.770 1 0 GHAFRO C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(Cc3ccccc3C2=O)[C@]12c1ccccc1NC2=O ZINC000040403017 210787374 /nfs/dbraw/zinc/78/73/74/210787374.db2.gz CCPZAKCDKIRHMX-RMUDUWAUSA-N 1 0 394.474 3.989 1 0 GHAFRO CCCn1c(-c2cn(C)c3ccccc23)nc2ccc(N3CC[NH+](C)CC3)nc21 ZINC000095580830 535577147 /nfs/dbraw/zinc/57/71/47/535577147.db2.gz ZWKIKKDKHXONAJ-UHFFFAOYSA-N 1 0 388.519 3.752 1 0 GHAFRO COC[C@@H](C[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1)OC ZINC000013861680 210096086 /nfs/dbraw/zinc/09/60/86/210096086.db2.gz LHZUERDCLPXCOX-QGZVFWFLSA-N 1 0 397.544 3.509 1 0 GHAFRO c1[nH]c2ccc(-n3cnnc3)cc2c1CC[N@H+]1CC[C@@H](CNc2ccccc2)C1 ZINC000013794083 210089362 /nfs/dbraw/zinc/08/93/62/210089362.db2.gz YGBXQZILZULTOD-SFHVURJKSA-N 1 0 386.503 3.725 1 0 GHAFRO C[C@@H]1[C@@H]2Cc3ccc(NS(C)(=O)=O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000013742442 210087940 /nfs/dbraw/zinc/08/79/40/210087940.db2.gz PBEYSGZDOQLDOT-XGRCMKMKSA-N 1 0 384.545 3.783 1 0 GHAFRO Cc1cc[n+]2ccn(C[C@H]3CC(c4ccccc4)(c4ccccc4)C(=O)O3)c2c1 ZINC000013651195 210075870 /nfs/dbraw/zinc/07/58/70/210075870.db2.gz GNXDMVIPIWHHGM-JOCHJYFZSA-N 1 0 383.471 3.837 1 0 GHAFRO COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCC[N@@H+]4C)c3c2)cc1 ZINC000013607575 210072883 /nfs/dbraw/zinc/07/28/83/210072883.db2.gz YWZXVSGZOKGKHU-QGZVFWFLSA-N 1 0 399.516 3.614 1 0 GHAFRO COc1ccccc1N1CC[NH+](C[C@@H]2Cc3[nH]c4ccccc4c3C(=O)C2)CC1 ZINC000013471718 210062891 /nfs/dbraw/zinc/06/28/91/210062891.db2.gz IHQJQJGQVPNKSI-QGZVFWFLSA-N 1 0 389.499 3.744 1 0 GHAFRO COc1c2ccoc2c(OC)c(OCCC[NH+]2CCCCC2)c1NC(C)=O ZINC000001845006 209341412 /nfs/dbraw/zinc/34/14/12/209341412.db2.gz XUECTFCVTKVOCI-UHFFFAOYSA-N 1 0 376.453 3.663 1 0 GHAFRO FC(F)(F)c1cccc(Sc2ccc3nnc(C4CC[NH2+]CC4)n3n2)c1 ZINC000095603825 211282510 /nfs/dbraw/zinc/28/25/10/211282510.db2.gz JJHAVMYBQXCLQZ-UHFFFAOYSA-N 1 0 379.411 3.761 1 0 GHAFRO COC(=O)c1ccc2c(c1)c1c(n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000073169233 211125735 /nfs/dbraw/zinc/12/57/35/211125735.db2.gz GGDCVBKOCBRZDT-CALCHBBNSA-N 1 0 384.520 3.806 1 0 GHAFRO [NH3+][C@H]1CN(C(=O)NCc2cccc(F)c2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000014958666 210134493 /nfs/dbraw/zinc/13/44/93/210134493.db2.gz QNVPHHIXMGIKDT-WBVHZDCISA-N 1 0 382.266 3.769 1 0 GHAFRO CCn1c2ccccc2n([C@@H]2CC[N@H+](C[C@@H]3CCCC3(C)C)C[C@H]2CO)c1=O ZINC000096903797 211350781 /nfs/dbraw/zinc/35/07/81/211350781.db2.gz UXYGPRAESTZYCT-GBESFXJTSA-N 1 0 385.552 3.505 1 0 GHAFRO CC(C)n1nc2c(cc1=O)CCc1cc(OCCC[N@@H+]3CCC[C@H]3C)ccc1-2 ZINC000084670939 211172673 /nfs/dbraw/zinc/17/26/73/211172673.db2.gz AZBGZTWRYFLSNW-QGZVFWFLSA-N 1 0 381.520 3.843 1 0 GHAFRO CCOC(=O)n1cc2[nH]c(C)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)c-2c1=O ZINC000034804625 210668331 /nfs/dbraw/zinc/66/83/31/210668331.db2.gz ROEPADSSTIFTHQ-UHFFFAOYSA-N 1 0 394.258 3.935 1 0 GHAFRO [NH3+][C@H]1CN(c2cc(-c3ccc(F)cc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000028823840 210534005 /nfs/dbraw/zinc/53/40/05/210534005.db2.gz VKWZUDRAIRYSNA-KDOFPFPSSA-N 1 0 388.368 3.631 1 0 GHAFRO CCOCCC[NH2+][C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O ZINC000040953239 221934864 /nfs/dbraw/zinc/93/48/64/221934864.db2.gz UFRSHBOMCAXUQW-WIKDVRPQSA-N 1 0 393.612 3.746 1 0 GHAFRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc2S(=O)(=O)N1)c1cccc2ccccc21 ZINC000072106317 222205938 /nfs/dbraw/zinc/20/59/38/222205938.db2.gz JNXDWXIYTHBTJB-VQIMIIECSA-N 1 0 380.513 3.784 1 0 GHAFRO [NH3+]CCC[C@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCC1 ZINC000036184683 581098597 /nfs/dbraw/zinc/09/85/97/581098597.db2.gz HRTBWTOXJOXCCB-JOCHJYFZSA-N 1 0 398.457 3.835 1 0 GHAFRO C[C@H]1CCCc2n1cc[n+]2C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651205 210076539 /nfs/dbraw/zinc/07/65/39/210076539.db2.gz FLUWGDARPVNRAU-SIKLNZKXSA-N 1 0 387.503 3.975 1 0 GHAFRO CNc1cc(OC)c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC000013553232 210066466 /nfs/dbraw/zinc/06/64/66/210066466.db2.gz DCJWAUUNGWWIFD-LIRRHRJNSA-N 1 0 387.911 3.641 1 0 GHAFRO O=C1Nc2cccc3c2[C@@]1(CCC[NH+]1CCN(c2ccccc2)CC1)CCC3 ZINC000013531240 210065618 /nfs/dbraw/zinc/06/56/18/210065618.db2.gz ZKCBADGEPVBDQI-DEOSSOPVSA-N 1 0 375.516 3.815 1 0 GHAFRO Cc1cc(-c2cccn([C@H](C[N@@H+]3CC[C@@H](O)C3)c3ccccc3)c2=O)ccc1F ZINC000013488480 210063059 /nfs/dbraw/zinc/06/30/59/210063059.db2.gz UNBJJYRROPIINM-NFBKMPQASA-N 1 0 392.474 3.619 1 0 GHAFRO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)c(F)c1)[NH2+]2 ZINC000013439757 210061470 /nfs/dbraw/zinc/06/14/70/210061470.db2.gz IAAQYRJDAWOSJH-CIGZNWKYSA-N 1 0 387.236 3.634 1 0 GHAFRO O=C1c2ccccc2CCCN1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000013488305 210063355 /nfs/dbraw/zinc/06/33/55/210063355.db2.gz JMMXMAWAVLJQSY-UHFFFAOYSA-N 1 0 382.479 3.758 1 0 GHAFRO C[NH+]1CCN(c2cc(-c3cccc(C(F)(F)F)c3)nc(-c3ccncc3)n2)CC1 ZINC000001498820 209331030 /nfs/dbraw/zinc/33/10/30/209331030.db2.gz NLKAJTXFZGKQMB-UHFFFAOYSA-N 1 0 399.420 3.976 1 0 GHAFRO COc1cc(Sc2c3ccccc3[nH]c2C2=[NH+]CCN2)cc(OC)c1OC ZINC000095597138 211280965 /nfs/dbraw/zinc/28/09/65/211280965.db2.gz JNNQOBZXMWAKBO-UHFFFAOYSA-N 1 0 383.473 3.695 1 0 GHAFRO COc1cc(C(=O)c2csc(-c3ccc(C[NH3+])cc3)n2)cc(OC)c1OC ZINC000072118524 211068962 /nfs/dbraw/zinc/06/89/62/211068962.db2.gz CFLPDZRSXVQYOV-UHFFFAOYSA-N 1 0 384.457 3.526 1 0 GHAFRO Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000040405743 210787439 /nfs/dbraw/zinc/78/74/39/210787439.db2.gz LKAZFPWWTLHHFL-UHFFFAOYSA-N 1 0 381.451 3.698 1 0 GHAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(Br)cc3c1OC(C)(C)C3)C2 ZINC000026851392 210508441 /nfs/dbraw/zinc/50/84/41/210508441.db2.gz CWHVCCHEMCLKMB-GOOCMWNKSA-N 1 0 393.325 3.518 1 0 GHAFRO O[C@@H]1CCc2c(c3ccccc3n2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000013864096 210095625 /nfs/dbraw/zinc/09/56/25/210095625.db2.gz FEMKPVDHFCRPKA-OAQYLSRUSA-N 1 0 389.543 3.703 1 0 GHAFRO C[NH+](C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000000593144 209250236 /nfs/dbraw/zinc/25/02/36/209250236.db2.gz FCXKPNHKJPFYSO-UHFFFAOYSA-N 1 0 388.411 3.931 1 0 GHAFRO CC(C)[NH+]1CCC(COc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1 ZINC000034290525 209247203 /nfs/dbraw/zinc/24/72/03/209247203.db2.gz GBZPNPQJVWRRPZ-UHFFFAOYSA-N 1 0 375.900 3.804 1 0 GHAFRO OCCN1CC[NH+](CCCCOc2ccccc2/C=C/c2ccccc2)CC1 ZINC000027714152 209244841 /nfs/dbraw/zinc/24/48/41/209244841.db2.gz LGJMBQFUNZJGCW-OUKQBFOZSA-N 1 0 380.532 3.626 1 0 GHAFRO CC1=C2C(=O)C(c3cccc(Oc4ccccc4)c3)C(=O)N[C@H]2SC1C[NH3+] ZINC000100061330 211382620 /nfs/dbraw/zinc/38/26/20/211382620.db2.gz QYSFHHNLZHXKMT-UWJYYQICSA-N 1 0 380.469 3.800 1 0 GHAFRO CCc1cc2c(cc1CC)CC([NH2+]CCc1ccc(O)c3[nH]c(=O)ccc13)C2 ZINC000084742330 211174551 /nfs/dbraw/zinc/17/45/51/211174551.db2.gz ZQWNZUAMWNPQGR-UHFFFAOYSA-N 1 0 376.500 3.658 1 0 GHAFRO Cn1c2ccc(S(=O)(=O)c3ccc4[nH]ccc4c3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000073198253 211125677 /nfs/dbraw/zinc/12/56/77/211125677.db2.gz VTQVACSHPOPMES-KUHUBIRLSA-N 1 0 391.496 3.842 1 0 GHAFRO COc1cc(F)cc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1 ZINC000066251251 211001427 /nfs/dbraw/zinc/00/14/27/211001427.db2.gz IIUPBTZQCFRXSM-UHFFFAOYSA-N 1 0 376.501 3.808 1 0 GHAFRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019770979 210295189 /nfs/dbraw/zinc/29/51/89/210295189.db2.gz BJWLIQNCLGRWFV-KAMZKSLDSA-N 1 0 388.596 3.643 1 0 GHAFRO c1ccc(N2CC[NH+]([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 ZINC000170112559 136198632 /nfs/dbraw/zinc/19/86/32/136198632.db2.gz DWWIACJQSFOAOL-XMMPIXPASA-N 1 0 398.626 3.844 1 0 GHAFRO COc1cccc(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000013492661 581096129 /nfs/dbraw/zinc/09/61/29/581096129.db2.gz HDEPBPKSVYTTAM-UHFFFAOYSA-N 1 0 395.547 3.644 1 0 GHAFRO Cc1cccc(Cl)c1Nc1nc2ccc(N3CC[C@@H]([NH3+])C3)nc2n2cncc12 ZINC000013582077 221275941 /nfs/dbraw/zinc/27/59/41/221275941.db2.gz NNGYALDRCGUUJY-CYBMUJFWSA-N 1 0 393.882 3.520 1 0 GHAFRO [NH3+]CCc1cn(S(=O)(=O)c2cc(Cl)c(Cl)s2)c2ccccc12 ZINC000014975942 221323005 /nfs/dbraw/zinc/32/30/05/221323005.db2.gz MABZHQLBNXZJBS-UHFFFAOYSA-N 1 0 375.302 3.748 1 0 GHAFRO O=C1N[C@@H](Cc2ccccc2)C2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)O1 ZINC000028762159 221682541 /nfs/dbraw/zinc/68/25/41/221682541.db2.gz OPDIRDUYVODXRR-QFIPXVFZSA-N 1 0 389.499 3.896 1 0 GHAFRO CN(C)c1nc([C@@H]2C[NH2+]C[C@H]2c2ccccc2)nc2ccc(-c3cn[nH]c3)cc21 ZINC000095592813 222358355 /nfs/dbraw/zinc/35/83/55/222358355.db2.gz QQWMBNHFQAYFPP-VQTJNVASSA-N 1 0 384.487 3.557 1 0 GHAFRO COc1cc(-c2n[nH]cc2CN2CCc3sccc3C2)cc(OC)c1OC ZINC000013593583 221275963 /nfs/dbraw/zinc/27/59/63/221275963.db2.gz XXXPNQLUSYOHPT-UHFFFAOYSA-N 1 0 385.489 3.722 3 0 GHAFRO Cc1cc(C(=O)Nc2cccc(Cl)c2)nc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000049792559 132438809 /nfs/dbraw/zinc/43/88/09/132438809.db2.gz NLOAPLXRCGKEIZ-UHFFFAOYSA-N 1 0 399.926 3.755 1 0 GHAFRO O=C(NCCN1CC[NH+]([C@@H]2CCCc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000022938689 221578269 /nfs/dbraw/zinc/57/82/69/221578269.db2.gz FGNDDXTVXSKQJK-JOCHJYFZSA-N 1 0 397.950 3.765 1 0 GHAFRO Cc1nc2ccc(Nc3c(C)c(N[C@H]4CCC[NH2+]C4)nc4ccnn43)cc2s1 ZINC000095554046 222354208 /nfs/dbraw/zinc/35/42/08/222354208.db2.gz MHAZFQTWVWWROD-HNNXBMFYSA-N 1 0 393.520 3.863 1 0 GHAFRO O=C(CCC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1F ZINC000028647138 212157078 /nfs/dbraw/zinc/15/70/78/212157078.db2.gz ZFWMSUNZZWEGAM-UHFFFAOYSA-N 1 0 377.410 3.645 1 0 GHAFRO CC[NH+](CC)CCNC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000002937973 220584769 /nfs/dbraw/zinc/58/47/69/220584769.db2.gz LEPHAQLBKYPFAM-UHFFFAOYSA-N 1 0 397.906 3.716 1 0 GHAFRO Cc1cccc(Cl)c1Nc1nc2ccc(N3CC[C@H]([NH3+])C3)nc2n2cncc12 ZINC000013582073 221275818 /nfs/dbraw/zinc/27/58/18/221275818.db2.gz NNGYALDRCGUUJY-ZDUSSCGKSA-N 1 0 393.882 3.520 1 0 GHAFRO O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCC[NH2+]3)c2c1)c1ccc(Cl)cc1 ZINC000013607628 221277351 /nfs/dbraw/zinc/27/73/51/221277351.db2.gz JPZREZRJDYDZQS-OAHLLOKOSA-N 1 0 389.908 3.917 1 0 GHAFRO CSCC[C@@H](C[NH+]1CC=CC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013817003 221290815 /nfs/dbraw/zinc/29/08/15/221290815.db2.gz UGPUZBNVAVVBSK-HNNXBMFYSA-N 1 0 387.376 3.988 1 0 GHAFRO C[NH2+]CCNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1C ZINC000029038327 221688530 /nfs/dbraw/zinc/68/85/30/221688530.db2.gz ZNKRNKHLTCFHAR-UHFFFAOYSA-N 1 0 399.545 3.691 1 0 GHAFRO Cc1[nH]nc2nc3c(C)cc(OC(F)(F)F)cc3c(C[N@@H+]3CCCOCC3)c12 ZINC000073164499 222267321 /nfs/dbraw/zinc/26/73/21/222267321.db2.gz PAXNYXPPEYOVCJ-UHFFFAOYSA-N 1 0 394.397 3.849 1 0 GHAFRO CCOc1ccc2cc(-c3nn(C4CC[NH2+]CC4)c4ncnc(N)c34)ccc2c1 ZINC000084689164 222319952 /nfs/dbraw/zinc/31/99/52/222319952.db2.gz BUSPKJQAYDAQIK-UHFFFAOYSA-N 1 0 388.475 3.552 1 0 GHAFRO [NH2+]=C1N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)C[C@@H]2CCS1 ZINC000095590061 222357786 /nfs/dbraw/zinc/35/77/86/222357786.db2.gz COCAUCFPFHUGAA-YPMLDQLKSA-N 1 0 390.871 3.793 1 0 GHAFRO CC[NH+](CC)CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000001622984 212249982 /nfs/dbraw/zinc/24/99/82/212249982.db2.gz ONNLRBDNEMAAHA-HSZRJFAPSA-N 1 0 376.504 3.769 1 0 GHAFRO CC[NH+](CC)CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000005499361 220876478 /nfs/dbraw/zinc/87/64/78/220876478.db2.gz ONNLRBDNEMAAHA-QHCPKHFHSA-N 1 0 376.504 3.769 1 0 GHAFRO C[NH+](C)Cc1ccccc1Oc1ccc(I)cc1CO ZINC000013584116 221275833 /nfs/dbraw/zinc/27/58/33/221275833.db2.gz UMYMNRFUWNCPOG-UHFFFAOYSA-N 1 0 383.229 3.637 1 0 GHAFRO CN1CCN2c3c(cccc31)[C@@H]1C[N@@H+](CCCOc3ccc(F)cc3)CC[C@@H]12 ZINC000140847104 136193062 /nfs/dbraw/zinc/19/30/62/136193062.db2.gz HQQJXCPFCHRCKP-SFTDATJTSA-N 1 0 381.495 3.723 1 0 GHAFRO CC[NH+](CC)CCNC(=O)c1sc(-c2cccnc2)nc1-c1ccccc1 ZINC000071340589 222183063 /nfs/dbraw/zinc/18/30/63/222183063.db2.gz DEHZKRZZHVXPDP-UHFFFAOYSA-N 1 0 380.517 3.944 1 0 GHAFRO O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2-c2cccc3c2[C@@H]1CC[NH2+]CC3 ZINC000084726686 222321500 /nfs/dbraw/zinc/32/15/00/222321500.db2.gz JHQWUIJQJVJHOA-HNNXBMFYSA-N 1 0 393.446 3.853 1 0 GHAFRO CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc([C@@H]3CC[NH2+]C3)ccc1-2 ZINC000096269665 222405910 /nfs/dbraw/zinc/40/59/10/222405910.db2.gz JJUMGKJXPWZXAO-CQSZACIVSA-N 1 0 381.505 3.661 1 0 GHAFRO C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)[C@@]2(O)CN12 ZINC000085547803 291133736 /nfs/dbraw/zinc/13/37/36/291133736.db2.gz KUUYEWRCMKQGRX-XXBKUDJDSA-N 1 0 382.548 3.698 1 0 biogenic,in-vitro GHAFRO CC(=O)N1CCC([NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)CC1 ZINC000012031565 221142897 /nfs/dbraw/zinc/14/28/97/221142897.db2.gz RTZXRSSDTIGCLV-HXUWFJFHSA-N 1 0 380.536 3.795 1 0 GHAFRO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4ccncc4)CC3)cc2)n1 ZINC000012448780 221197039 /nfs/dbraw/zinc/19/70/39/221197039.db2.gz USNUSJHYECLRES-UHFFFAOYSA-N 1 0 389.503 3.735 1 0 GHAFRO CCc1c(C)[nH]c2c1C(=O)[C@@H](CC[NH+]1CCN(c3ccccc3OC)CC1)CC2 ZINC000013471649 221268723 /nfs/dbraw/zinc/26/87/23/221268723.db2.gz LHGSFGIUUOTCPG-GOSISDBHSA-N 1 0 395.547 3.852 1 0 GHAFRO Oc1cccc2c1CC[C@@H]1[C@@H]2CCC[N@@H+]1CCN1CCN(c2ccccc2)CC1 ZINC000040847308 132408443 /nfs/dbraw/zinc/40/84/43/132408443.db2.gz QQRPTUXXSDJYLW-ISKFKSNPSA-N 1 0 391.559 3.709 1 0 GHAFRO c1nn(-c2ccccc2)c2c1[C@H](CC[NH+]1CCN(c3ccccc3)CC1)OCC2 ZINC000148173860 136193075 /nfs/dbraw/zinc/19/30/75/136193075.db2.gz VSKVHXRZGHIJJW-DEOSSOPVSA-N 1 0 388.515 3.698 1 0 GHAFRO COC(=O)c1cc(Br)cnc1N1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000169303676 136197104 /nfs/dbraw/zinc/19/71/04/136197104.db2.gz RFCQQTRYBSIKEB-OAHLLOKOSA-N 1 0 396.329 3.522 1 0 GHAFRO COC[C@H](C)n1cc2[nH]c(C)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)c-2c1=O ZINC000034804762 221807248 /nfs/dbraw/zinc/80/72/48/221807248.db2.gz CQMFJBQSRKSKOJ-JTQLQIEISA-N 1 0 394.302 3.813 1 0 GHAFRO C[NH+](C)[C@H]1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000060325912 222058937 /nfs/dbraw/zinc/05/89/37/222058937.db2.gz LZILBCGLADWRRO-HNNXBMFYSA-N 1 0 390.455 3.575 1 0 GHAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)c3ccccc3OC)n2)cc1 ZINC000061904672 222063088 /nfs/dbraw/zinc/06/30/88/222063088.db2.gz QZXFKBXERVTRKF-INIZCTEOSA-N 1 0 383.473 3.655 3 0 GHAFRO COc1cc(OC)c2c(=O)cc(-c3ccc(OCCC[NH+](C)C)cc3)oc2c1 ZINC000169349822 222535903 /nfs/dbraw/zinc/53/59/03/222535903.db2.gz UAOXBVRXLNUOCV-UHFFFAOYSA-N 1 0 383.444 3.808 1 0 GHAFRO COc1ccc(C[C@@H]2c3c(cc(OC)c(OC)c3OC)CC[N@H+]2C)cc1OC ZINC000001629483 212252935 /nfs/dbraw/zinc/25/29/35/212252935.db2.gz LLALSPNIDWQWQM-MRXNPFEDSA-N 1 0 387.476 3.501 1 0 GHAFRO CCOc1cccc(C2([NH+]3CCN(c4cnccn4)CC3)[C@@H]3CC(C)C[C@@H]32)c1 ZINC000096272387 136186006 /nfs/dbraw/zinc/18/60/06/136186006.db2.gz MFHIYBXCZHHOQB-PKNONZTCSA-N 1 0 378.520 3.569 1 0 GHAFRO C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)c3ccccc32)CC1 ZINC000103168798 136190777 /nfs/dbraw/zinc/19/07/77/136190777.db2.gz LZYGFQUQJLFFSQ-UHFFFAOYSA-N 1 0 383.293 3.811 1 0 GHAFRO C[N@H+]1CC(=Cc2cccc(F)c2)C2=NC(=S)N[C@@H](c3cccc(F)c3)C2C1 ZINC000071331611 222181771 /nfs/dbraw/zinc/18/17/71/222181771.db2.gz AIFMYGDACNSYFV-UCSSQIFYSA-N 1 0 383.467 3.767 1 0 GHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccccc2Br)C1C(=O)OC ZINC000084489127 222316952 /nfs/dbraw/zinc/31/69/52/222316952.db2.gz CDRHECVCBMPVPX-WSTOHFRZSA-N 1 0 380.238 3.870 1 0 GHAFRO C[NH+]1CCC(Oc2ccc3cc(-c4ccc5c(c4)OCO5)c(=O)oc3c2)CC1 ZINC000084655319 222320262 /nfs/dbraw/zinc/32/02/62/222320262.db2.gz FFRGXDIXLITCRR-UHFFFAOYSA-N 1 0 379.412 3.662 1 0 GHAFRO COc1c2ccoc2c(OC)c(OCC[NH2+]C2CCCCC2)c1NC(C)=O ZINC000001854358 212144862 /nfs/dbraw/zinc/14/48/62/212144862.db2.gz VDZDLOHXVXPKML-UHFFFAOYSA-N 1 0 376.453 3.710 1 0 GHAFRO CC(=O)N1CCC([NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)CC1 ZINC000012031568 221142893 /nfs/dbraw/zinc/14/28/93/221142893.db2.gz RTZXRSSDTIGCLV-FQEVSTJZSA-N 1 0 380.536 3.795 1 0 GHAFRO CCN(CC)C(=O)c1ccc(C2=CC3(CC[NH2+]CC3)Oc3ccc(O)cc32)cc1 ZINC000040953267 221935833 /nfs/dbraw/zinc/93/58/33/221935833.db2.gz CZKXFMKSBYYNMM-UHFFFAOYSA-N 1 0 392.499 3.821 1 0 GHAFRO CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)no1 ZINC000049033226 221995700 /nfs/dbraw/zinc/99/57/00/221995700.db2.gz GEVFRUIWDNZICZ-UHFFFAOYSA-N 1 0 385.468 3.554 1 0 GHAFRO CCOc1ccccc1C(=O)NCC1(N2CC[NH+](C3CCC3)CC2)CCCCC1 ZINC000072179663 222216264 /nfs/dbraw/zinc/21/62/64/222216264.db2.gz GKHQMAHQZSEGLJ-UHFFFAOYSA-N 1 0 399.579 3.688 1 0 GHAFRO C[C@@]1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CCOC(=[NH2+])N1 ZINC000072315383 222226656 /nfs/dbraw/zinc/22/66/56/222226656.db2.gz CDNCNEWZGVRQRT-KRWDZBQOSA-N 1 0 397.237 3.730 1 0 GHAFRO COC(=O)c1ccc2c(c1)c1ccccc1n2CCC[N@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000073168496 222268112 /nfs/dbraw/zinc/26/81/12/222268112.db2.gz PLCPIONQGWZZMJ-CALCHBBNSA-N 1 0 379.504 3.653 1 0 GHAFRO N=C(Nc1ccc2c(c1)CCC(=O)N2CCC[NH+]1CCCC1)c1cccs1 ZINC000073196016 136171523 /nfs/dbraw/zinc/17/15/23/136171523.db2.gz FPGQSNDORJTZCV-UHFFFAOYSA-N 1 0 382.533 3.951 1 0 GHAFRO Cc1nc2c(nc(-c3ccccc3Cl)n2C2CC2)c(N2CC[NH+](C)CC2)n1 ZINC000084712951 136175112 /nfs/dbraw/zinc/17/51/12/136175112.db2.gz ATTXJDZGDVZJEP-UHFFFAOYSA-N 1 0 382.899 3.542 1 0 GHAFRO O=C1Nc2ccc(F)cc2[C@@H]1CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000101465467 136189690 /nfs/dbraw/zinc/18/96/90/136189690.db2.gz SRLMQQYLKLURQQ-IBGZPJMESA-N 1 0 385.458 3.993 1 0 GHAFRO COc1cc2c(cc1OC)C[C@H]([NH2+]CC[C@H](c1ccccc1)C(C)C)[C@@H](O)C2 ZINC000027720831 221658536 /nfs/dbraw/zinc/65/85/36/221658536.db2.gz GHCOKZZQNZKRED-FKBYEOEOSA-N 1 0 383.532 3.951 1 0 GHAFRO O=C(NCc1ccc(Cl)cc1)[C@H]1C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000045302165 221961697 /nfs/dbraw/zinc/96/16/97/221961697.db2.gz RZXTVXXLOKKJPL-SJORKVTESA-N 1 0 382.813 3.978 1 0 GHAFRO C[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[N@@H+]1C1Cc2ccccc2C1 ZINC000061905955 222062448 /nfs/dbraw/zinc/06/24/48/222062448.db2.gz UCJYGZPNIYKGHO-OAQYLSRUSA-N 1 0 388.433 3.953 3 0 GHAFRO COc1ccc([C@@H]2C=CC[N@@H+]3CCC[C@H]3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000061945343 222064260 /nfs/dbraw/zinc/06/42/60/222064260.db2.gz XLLUCHJCSZUKEM-VXKWHMMOSA-N 1 0 380.463 3.938 3 0 GHAFRO C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C1Cc2ccccc2C1 ZINC000061927168 222064332 /nfs/dbraw/zinc/06/43/32/222064332.db2.gz ONPGKBNTQCOKIP-NRFANRHFSA-N 1 0 388.433 3.953 3 0 GHAFRO CC(C)c1nc(C(=O)N2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1 ZINC000064548900 222073934 /nfs/dbraw/zinc/07/39/34/222073934.db2.gz MGWLEIOWCHHXGB-UHFFFAOYSA-N 1 0 399.560 3.774 1 0 GHAFRO CC(C)c1ccc(S(=O)(=O)n2cc(N3CC[NH+](C)CC3)c3ccccc32)cc1 ZINC000066264086 222139484 /nfs/dbraw/zinc/13/94/84/222139484.db2.gz DOUUUDLTKJRZKD-UHFFFAOYSA-N 1 0 397.544 3.754 1 0 in-vivo GHAFRO CNC(=O)COc1ccc2nc(CC(C)C)c(C[NH3+])c(-c3ccc(C)cc3)c2c1 ZINC000072104593 222205506 /nfs/dbraw/zinc/20/55/06/222205506.db2.gz GIPLHJILSAINPD-UHFFFAOYSA-N 1 0 391.515 3.992 1 0 GHAFRO O=C(OCC[18F])[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C\Br)c1)[NH2+]2 ZINC000169369725 222537333 /nfs/dbraw/zinc/53/73/33/222537333.db2.gz SPQWIGAZLYFACO-QHLNCLBFSA-N 1 0 381.276 3.789 1 0 GHAFRO CCOC(=O)Nc1c(OC)c2ccoc2c(OC)c1OCC[NH+]1CCCCC1 ZINC000001854345 212144086 /nfs/dbraw/zinc/14/40/86/212144086.db2.gz GBUOLPPEWOVFEN-UHFFFAOYSA-N 1 0 392.452 3.883 1 0 GHAFRO CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000008602148 221045110 /nfs/dbraw/zinc/04/51/10/221045110.db2.gz YEEQUJXMHXKMHC-UHFFFAOYSA-N 1 0 375.516 3.956 1 0 GHAFRO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1 ZINC000011815125 221128056 /nfs/dbraw/zinc/12/80/56/221128056.db2.gz SPXDFDGFHSYKDL-LJQANCHMSA-N 1 0 376.460 3.896 3 0 GHAFRO COc1cccc2c1CCC[C@@H]2[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000013757346 221288530 /nfs/dbraw/zinc/28/85/30/221288530.db2.gz JVGJNXVXHQYNTM-QHCPKHFHSA-N 1 0 379.548 3.875 1 0 GHAFRO C[C@@H]1CN(C(=O)c2cn3c4c2cccc4OC[C@H]3C2CCCCC2)C[C@H](C)[NH2+]1 ZINC000058512024 222054791 /nfs/dbraw/zinc/05/47/91/222054791.db2.gz ZTLQGTKQJAZKOK-YRNRMSPPSA-N 1 0 381.520 3.978 1 0 GHAFRO CCOc1ccc2cc(-c3nn(C[C@@H]([NH3+])C(C)C)c4ncnc(N)c34)ccc2c1 ZINC000084689107 222319342 /nfs/dbraw/zinc/31/93/42/222319342.db2.gz JJBVXBLSJXIUKY-GOSISDBHSA-N 1 0 390.491 3.611 1 0 GHAFRO C[NH+]1CCC(n2cc(-c3cnc(N)c(-c4nc5ccc(F)cc5o4)c3)cn2)CC1 ZINC000084731744 222321771 /nfs/dbraw/zinc/32/17/71/222321771.db2.gz WEWRBVXCZRESOW-UHFFFAOYSA-N 1 0 392.438 3.741 1 0 GHAFRO CCOC(=O)C1=C(c2ccccc2)CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000095597538 222358570 /nfs/dbraw/zinc/35/85/70/222358570.db2.gz KGAMFGXXJMPTGX-UHFFFAOYSA-N 1 0 377.484 3.887 1 0 GHAFRO COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCC[N@@H+]4C)c3c2)cc1 ZINC000013607577 221277226 /nfs/dbraw/zinc/27/72/26/221277226.db2.gz YWZXVSGZOKGKHU-KRWDZBQOSA-N 1 0 399.516 3.614 1 0 GHAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000013553228 221273420 /nfs/dbraw/zinc/27/34/20/221273420.db2.gz XNUNIHJOMFCFRQ-LIRRHRJNSA-N 1 0 387.911 3.571 1 0 GHAFRO Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000040915958 221934140 /nfs/dbraw/zinc/93/41/40/221934140.db2.gz KXXANGOYPBGNGG-UHFFFAOYSA-N 1 0 381.451 3.698 1 0 GHAFRO Nc1c(Cl)cc(C(=O)N2C[C@H]3C[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1Cl ZINC000058566169 222054311 /nfs/dbraw/zinc/05/43/11/222054311.db2.gz KTVCMHBTZGVJNN-GOEBONIOSA-N 1 0 390.314 3.922 1 0 GHAFRO C[NH+](C)[C@@H]1CCc2c(c3cc(F)cc(F)c3n2S(=O)(=O)c2ccccc2)C1 ZINC000060326010 222060074 /nfs/dbraw/zinc/06/00/74/222060074.db2.gz BXPYVESHQYBQOO-CQSZACIVSA-N 1 0 390.455 3.575 1 0 GHAFRO Nc1ncnc2c1c(Cc1cccc3ccccc31)nn2CCC1CC[NH2+]CC1 ZINC000071282032 222178926 /nfs/dbraw/zinc/17/89/26/222178926.db2.gz XLHSLEFSSSWIGF-UHFFFAOYSA-N 1 0 386.503 3.542 1 0 GHAFRO COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3[N@H+](CC1CC1)CC2)OCO4 ZINC000072118348 222207523 /nfs/dbraw/zinc/20/75/23/222207523.db2.gz XHVGMEDKCCFUAG-KRWDZBQOSA-N 1 0 379.456 3.965 1 0 GHAFRO Cn1c2ccc(S(=O)(=O)n3ccc4ccccc43)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000082155483 222311346 /nfs/dbraw/zinc/31/13/46/222311346.db2.gz UBEQSQLTEHXJHF-QAPCUYQASA-N 1 0 391.496 3.719 1 0 GHAFRO CCOc1cccc(C2([NH+]3CCN(c4cccnn4)CC3)[C@@H]3CC(C)C[C@@H]32)c1 ZINC000096272382 136186026 /nfs/dbraw/zinc/18/60/26/136186026.db2.gz YFDSWLPYWPKLKW-PKNONZTCSA-N 1 0 378.520 3.569 1 0 GHAFRO O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000040849203 221931911 /nfs/dbraw/zinc/93/19/11/221931911.db2.gz PDLUQJSMGRHYKZ-UHFFFAOYSA-N 1 0 386.499 3.997 1 0 GHAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3cc(F)cc(F)c3)sc21 ZINC000043132587 221949334 /nfs/dbraw/zinc/94/93/34/221949334.db2.gz KDGJORYXNWWEGU-ZDUSSCGKSA-N 1 0 388.443 3.504 1 0 GHAFRO COc1ccc(-c2ccn(-c3ccc4c(c3)n(C)c3c4CC[NH2+]C3)c(=O)c2)cc1 ZINC000064560878 222074012 /nfs/dbraw/zinc/07/40/12/222074012.db2.gz AHDBPAJCLCZWMX-UHFFFAOYSA-N 1 0 385.467 3.651 1 0 GHAFRO Cn1c2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2c2c1C[NH2+]CC2 ZINC000064559603 222074094 /nfs/dbraw/zinc/07/40/94/222074094.db2.gz ZXGHIZDLSIWWGJ-UHFFFAOYSA-N 1 0 385.467 3.554 1 0 GHAFRO CC[C@H](Nc1[nH+]cc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c21)C1CC1 ZINC000072125905 222209129 /nfs/dbraw/zinc/20/91/29/222209129.db2.gz NAQHFYOEQBTMQW-KRWDZBQOSA-N 1 0 388.475 3.816 1 0 GHAFRO O=C(N[C@@H](c1ccc(F)c(F)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1 ZINC000072177455 222216125 /nfs/dbraw/zinc/21/61/25/222216125.db2.gz PAVVSLLABJSASQ-OAQYLSRUSA-N 1 0 381.426 3.984 1 0 GHAFRO Cc1ccc(-c2c3cc(OCC(N)=O)ccc3nc(CC(C)C)c2C[NH3+])cc1 ZINC000072178158 222217340 /nfs/dbraw/zinc/21/73/40/222217340.db2.gz UNYLVNNXZYCKTK-UHFFFAOYSA-N 1 0 377.488 3.732 1 0 GHAFRO O=c1ccc2c(cccc2-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)[nH]1 ZINC000084758531 222322297 /nfs/dbraw/zinc/32/22/97/222322297.db2.gz MAXOGUXZCWXAII-UHFFFAOYSA-N 1 0 395.532 3.501 1 0 GHAFRO CN(C)C(=O)[C@H](Cc1ccccc1)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000084687988 222320228 /nfs/dbraw/zinc/32/02/28/222320228.db2.gz UUPXLXYQUQZBHW-HXUWFJFHSA-N 1 0 398.572 3.559 1 0 GHAFRO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000011668112 212078204 /nfs/dbraw/zinc/07/82/04/212078204.db2.gz GIHCCPWCSBOWPR-SFHVURJKSA-N 1 0 389.455 3.696 3 0 GHAFRO O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCC[NH2+]3)c2c1)c1cccc(Cl)c1 ZINC000013607618 221276956 /nfs/dbraw/zinc/27/69/56/221276956.db2.gz XPVDVXZPPBMZSV-OAHLLOKOSA-N 1 0 389.908 3.917 1 0 GHAFRO NC(=O)c1cnc(N2CCC[C@@H]([NH3+])C2)c2cc(-c3ccc(Cl)cc3)sc21 ZINC000064746350 136157602 /nfs/dbraw/zinc/15/76/02/136157602.db2.gz GPRRTYRVLCGHPP-CYBMUJFWSA-N 1 0 386.908 3.643 1 0 GHAFRO Cc1cccc(-c2c3cc(OCC(N)=O)ccc3nc(CC(C)C)c2C[NH3+])c1 ZINC000072178032 222216812 /nfs/dbraw/zinc/21/68/12/222216812.db2.gz BYBQMJXVOCMKNT-UHFFFAOYSA-N 1 0 377.488 3.732 1 0 GHAFRO C=CC(=O)NC1=CC=C2N=CNC(=[NH+]c3ccc(OCc4ccccc4)cc3)[C@@H]21 ZINC000049538658 581095145 /nfs/dbraw/zinc/09/51/45/581095145.db2.gz UKNWFYOHYKRONV-QFIPXVFZSA-N 1 0 384.439 3.818 1 0 GHAFRO CCNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH+](C)CC2)n1 ZINC000026716958 581095863 /nfs/dbraw/zinc/09/58/63/581095863.db2.gz CXEXTPDLKDYOMC-UHFFFAOYSA-N 1 0 380.471 3.845 1 0 GHAFRO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H]1CCc3ccc(Cl)cc3C1)CC2 ZINC000013806840 221289858 /nfs/dbraw/zinc/28/98/58/221289858.db2.gz XYFWBDPFFPDLGC-NRFANRHFSA-N 1 0 395.934 3.626 1 0 GHAFRO O=C1c2cc(Cl)ccc2OC2(CC[NH2+]CC2)[C@@]12CC(c1ccccc1)=NO2 ZINC000013660560 221279858 /nfs/dbraw/zinc/27/98/58/221279858.db2.gz WZBPCFKGKGVBEB-OAQYLSRUSA-N 1 0 382.847 3.601 3 0 GHAFRO CC(=O)C1=NN2c3cc(C)ccc3OC[C@H]2[C@@]1(CCC[NH+](C)C)c1ccccc1 ZINC000028951401 221687334 /nfs/dbraw/zinc/68/73/34/221687334.db2.gz HSZKJVJUUUIVFL-LADGPHEKSA-N 1 0 391.515 3.801 1 0 GHAFRO COc1ccc(-c2ccn(-c3ccc4c(c3)n(C)c3c4C[NH2+]CC3)c(=O)c2)c(C)c1 ZINC000064560065 222073461 /nfs/dbraw/zinc/07/34/61/222073461.db2.gz RIBOMTJGOMMBPE-UHFFFAOYSA-N 1 0 399.494 3.959 1 0 GHAFRO CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(C[C@H](F)C[NH3+])c1ccccc1 ZINC000028827242 581096509 /nfs/dbraw/zinc/09/65/09/581096509.db2.gz MPIJRCIMCCBJAN-JXFKEZNVSA-N 1 0 375.394 3.504 1 0 GHAFRO c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)n(-c2nccs2)c1 ZINC000011933970 221137498 /nfs/dbraw/zinc/13/74/98/221137498.db2.gz LGYNTKVZOGHPKK-MRXNPFEDSA-N 1 0 382.489 3.739 1 0 GHAFRO Cc1cc(N2CCN(Cc3cn(C)nc3-c3ccccc3F)CC2)cc(C)[nH+]1 ZINC000012075889 221147719 /nfs/dbraw/zinc/14/77/19/221147719.db2.gz BBVAPEPYNHBXNN-UHFFFAOYSA-N 1 0 379.483 3.560 3 0 GHAFRO c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cc2nsnc12 ZINC000012449119 221196505 /nfs/dbraw/zinc/19/65/05/221196505.db2.gz LQECSAULNJCIDX-MRXNPFEDSA-N 1 0 382.489 3.539 1 0 GHAFRO COc1cccc(-c2nc3ccc(C(=O)N(C)C[C@@H]4CCC[N@@H+]4C)cc3o2)c1 ZINC000012707614 221218845 /nfs/dbraw/zinc/21/88/45/221218845.db2.gz FDHYLFXPNLKQRP-KRWDZBQOSA-N 1 0 379.460 3.670 1 0 GHAFRO O=C(c1ccc(F)cc1)c1ccc2nc(N3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000013607465 221276604 /nfs/dbraw/zinc/27/66/04/221276604.db2.gz WUQWVKYUTITJHA-UHFFFAOYSA-N 1 0 375.447 3.889 1 0 GHAFRO O=c1[nH]c2ccccc2c(N[C@H]2C[NH+]3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000034803976 221805121 /nfs/dbraw/zinc/80/51/21/221805121.db2.gz XOUKWAJFROZZDQ-IBGZPJMESA-N 1 0 385.471 3.578 1 0 GHAFRO Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CC[NH2+]CC4)ccn32)n1 ZINC000036161076 221845423 /nfs/dbraw/zinc/84/54/23/221845423.db2.gz XLJZIYPUEKTXOQ-UHFFFAOYSA-N 1 0 388.450 3.647 1 0 GHAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000049792842 222002350 /nfs/dbraw/zinc/00/23/50/222002350.db2.gz UJKZFUPTYOOVQJ-RDJZCZTQSA-N 1 0 381.863 3.513 1 0 GHAFRO C[NH+](C)CCN1C(=O)c2cccc3cc(-c4ccc(F)c(F)c4)cc(c32)C1=O ZINC000066100152 222137777 /nfs/dbraw/zinc/13/77/77/222137777.db2.gz ZRDVIKYTLLICEK-UHFFFAOYSA-N 1 0 380.394 3.943 1 0 GHAFRO Cc1c(OC2CC[NH+](C)CC2)ccc2cc(-c3ccc4c(c3)OCO4)c(=O)oc21 ZINC000084730166 222321828 /nfs/dbraw/zinc/32/18/28/222321828.db2.gz QEDFDIRRMFMDBO-UHFFFAOYSA-N 1 0 393.439 3.970 1 0 GHAFRO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2sc3ccccc3c2C1 ZINC000000588307 212164117 /nfs/dbraw/zinc/16/41/17/212164117.db2.gz JMXRRARDLWHYJN-UHFFFAOYSA-N 1 0 375.497 3.818 1 0 GHAFRO c1ccc2c(c1)CCC=C2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013743677 221286973 /nfs/dbraw/zinc/28/69/73/221286973.db2.gz LGXSXWYWLVQYEH-UHFFFAOYSA-N 1 0 376.500 4.000 1 0 GHAFRO Clc1cccc2c1C[C@H]2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013743682 221287540 /nfs/dbraw/zinc/28/75/40/221287540.db2.gz QFPINXSNMPERFF-MRXNPFEDSA-N 1 0 384.907 3.963 1 0 GHAFRO Cc1ccc(-n2ncc(C(=O)Nc3nccs3)c2C2CC[NH2+]CC2)cc1C ZINC000015726879 221341740 /nfs/dbraw/zinc/34/17/40/221341740.db2.gz VZODGVFXEHCENS-UHFFFAOYSA-N 1 0 381.505 3.665 1 0 GHAFRO O=C([C@@H]1CC12CCN(c1ccccc1)CC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000103243007 136191008 /nfs/dbraw/zinc/19/10/08/136191008.db2.gz XVMUYUWMOBMPFR-QFIPXVFZSA-N 1 0 381.564 3.770 1 0 GHAFRO CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000026836458 221647711 /nfs/dbraw/zinc/64/77/11/221647711.db2.gz HRGUDLWQAMLSOY-MSOLQXFVSA-N 1 0 379.342 3.857 1 0 GHAFRO C[C@@H]([NH3+])c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1 ZINC000061906954 222062908 /nfs/dbraw/zinc/06/29/08/222062908.db2.gz CRZZHSHOCDWHLB-CYBMUJFWSA-N 1 0 383.521 3.957 3 0 GHAFRO CC[NH+](CC)CCCN1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000169318086 212112279 /nfs/dbraw/zinc/11/22/79/212112279.db2.gz ZKECNGAVXUGMHT-ILBGXUMGSA-N 1 0 394.559 3.811 1 0 GHAFRO CN(C(=O)Cc1cccc2occc21)[C@@H]1CC[C@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000005965798 212081306 /nfs/dbraw/zinc/08/13/06/212081306.db2.gz JMBYBVLCYODBJQ-ZFGGDYGUSA-N 1 0 396.531 4.000 1 0 in-vitro GHAFRO CCCCOc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)cc1 ZINC000028647251 221681065 /nfs/dbraw/zinc/68/10/65/221681065.db2.gz UEYOHIPQLGJBMH-CJNGLKHVSA-N 1 0 397.313 3.870 1 0 GHAFRO CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000053294046 222008912 /nfs/dbraw/zinc/00/89/12/222008912.db2.gz HYVLLMHHSJIFSU-HSZRJFAPSA-N 1 0 389.499 3.909 1 0 GHAFRO C[C@H]([NH3+])c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1 ZINC000061906953 222062287 /nfs/dbraw/zinc/06/22/87/222062287.db2.gz CRZZHSHOCDWHLB-ZDUSSCGKSA-N 1 0 383.521 3.957 3 0 GHAFRO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000064380870 222070944 /nfs/dbraw/zinc/07/09/44/222070944.db2.gz XCTJKACOVJDFKO-FQEVSTJZSA-N 1 0 376.497 3.721 1 0 GHAFRO Cn1c2ccc(S(=O)(=O)n3ccc4ccccc43)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000082155484 222309851 /nfs/dbraw/zinc/30/98/51/222309851.db2.gz UBEQSQLTEHXJHF-MAUKXSAKSA-N 1 0 391.496 3.719 1 0 GHAFRO O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2-c2cccc3c2[C@H]1CC[NH2+]CC3 ZINC000084726683 222321853 /nfs/dbraw/zinc/32/18/53/222321853.db2.gz JHQWUIJQJVJHOA-OAHLLOKOSA-N 1 0 393.446 3.853 1 0 GHAFRO Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[NH3+])c1cccc(F)c1 ZINC000095576381 222356248 /nfs/dbraw/zinc/35/62/48/222356248.db2.gz NOLXWEOMFXFSNG-QFIPXVFZSA-N 1 0 397.494 3.616 1 0 GHAFRO CC[NH+](CC)CCN(C)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095567244 222356679 /nfs/dbraw/zinc/35/66/79/222356679.db2.gz DKVKMKRYTMXDQC-LJQANCHMSA-N 1 0 384.528 3.537 3 0 GHAFRO Cc1cc(OCCNc2cc[nH+]cc2)cc(OS(=O)(=O)c2cccs2)c1 ZINC000013494019 581093111 /nfs/dbraw/zinc/09/31/11/581093111.db2.gz UYPODJSKAAJGNR-UHFFFAOYSA-N 1 0 390.486 3.710 1 0 GHAFRO